NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
28532 | 3ci2 | 1870 | cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 559 H/Q atoms Start of MODEL 1 1 H LEU 20 HN LEU 20 -6.390 -33.235 3.400 2 HA LEU 20 HA LEU 20 -8.327 -31.833 2.433 3 1HB LEU 20 HB2 LEU 20 -8.331 -34.482 3.089 4 2HB LEU 20 HB1 LEU 20 -9.553 -33.967 4.210 5 HG LEU 20 HG LEU 20 -10.788 -34.663 2.321 6 1HD1 LEU 20 HD12 LEU 20 -11.531 -32.395 3.048 7 2HD1 LEU 20 HD11 LEU 20 -10.452 -31.668 1.873 8 3HD1 LEU 20 HD13 LEU 20 -11.793 -32.650 1.330 9 1HD2 LEU 20 HD21 LEU 20 -8.799 -33.154 0.578 10 2HD2 LEU 20 HD23 LEU 20 -8.887 -34.897 0.776 11 3HD2 LEU 20 HD22 LEU 20 -10.199 -34.039 -0.005 12 H LYS 21 HN LYS 21 -8.122 -32.358 5.814 13 HA LYS 21 HA LYS 21 -10.303 -30.415 6.474 14 1HB LYS 21 HB2 LYS 21 -9.908 -32.949 7.397 15 2HB LYS 21 HB1 LYS 21 -8.817 -32.145 8.495 16 1HG LYS 21 HG2 LYS 21 -11.826 -31.748 8.256 17 2HG LYS 21 HG1 LYS 21 -10.923 -32.387 9.609 18 1HD LYS 21 HD2 LYS 21 -9.827 -30.116 9.908 19 2HD LYS 21 HD1 LYS 21 -10.854 -29.470 8.640 20 1HE LYS 21 HE2 LYS 21 -12.864 -30.191 9.999 21 2HE LYS 21 HE1 LYS 21 -11.775 -30.686 11.281 22 1HZ LYS 21 HZ1 LYS 21 -11.214 -27.976 10.335 23 2HZ LYS 21 HZ3 LYS 21 -12.781 -28.129 10.929 24 3HZ LYS 21 HZ2 LYS 21 -11.512 -28.617 11.908 25 H THR 22 HN THR 22 -8.383 -29.212 5.322 26 HA THR 22 HA THR 22 -6.310 -28.219 7.258 27 HB THR 22 HB THR 22 -5.137 -27.345 5.162 28 HG1 THR 22 HG1 THR 22 -7.085 -26.869 4.138 29 1HG2 THR 22 HG21 THR 22 -6.335 -30.086 4.570 30 2HG2 THR 22 HG23 THR 22 -4.859 -29.450 3.902 31 3HG2 THR 22 HG22 THR 22 -4.925 -29.924 5.599 32 H GLU 23 HN GLU 23 -8.938 -27.660 7.492 33 HA GLU 23 HA GLU 23 -8.968 -24.697 7.431 34 1HB GLU 23 HB2 GLU 23 -9.883 -24.689 5.345 35 2HB GLU 23 HB1 GLU 23 -10.008 -26.421 5.420 36 1HG GLU 23 HG2 GLU 23 -12.231 -25.857 5.001 37 2HG GLU 23 HG1 GLU 23 -12.244 -26.066 6.750 38 CH2 TRP 24 CH2 TRP 24 -6.746 -27.587 10.571 39 H TRP 24 HN TRP 24 -10.578 -23.732 8.828 40 HA TRP 24 HA TRP 24 -12.355 -25.532 10.406 41 1HB TRP 24 HB2 TRP 24 -10.279 -23.699 11.825 42 2HB TRP 24 HB1 TRP 24 -11.499 -24.549 12.540 43 HD1 TRP 24 HD1 TRP 24 -11.552 -26.529 13.282 44 HE1 TRP 24 HE1 TRP 24 -9.831 -28.475 13.257 45 HE3 TRP 24 HE3 TRP 24 -8.439 -24.732 9.966 46 HZ2 TRP 24 HZ2 TRP 24 -7.383 -29.128 11.936 47 HZ3 TRP 24 HZ3 TRP 24 -6.440 -25.844 9.329 48 HH2 TRP 24 HH2 TRP 24 -5.849 -28.114 10.273 49 HA PRO 25 HA PRO 25 -14.889 -21.875 9.963 50 1HB PRO 25 HB2 PRO 25 -16.892 -22.919 8.529 51 2HB PRO 25 HB1 PRO 25 -15.286 -22.724 7.790 52 1HG PRO 25 HG2 PRO 25 -16.370 -25.284 9.021 53 2HG PRO 25 HG1 PRO 25 -15.756 -25.005 7.383 54 1HD PRO 25 HD1 PRO 25 -14.070 -25.871 9.412 55 2HD PRO 25 HD2 PRO 25 -13.533 -24.816 8.078 56 H GLU 26 HN GLU 26 -15.609 -25.145 11.151 57 HA GLU 26 HA GLU 26 -18.016 -24.558 12.530 58 1HB GLU 26 HB2 GLU 26 -17.505 -26.641 13.750 59 2HB GLU 26 HB1 GLU 26 -17.089 -26.839 12.057 60 1HG GLU 26 HG2 GLU 26 -15.111 -26.299 14.310 61 2HG GLU 26 HG1 GLU 26 -15.309 -27.801 13.426 62 H LEU 27 HN LEU 27 -14.834 -23.549 13.194 63 HA LEU 27 HA LEU 27 -15.570 -22.742 15.919 64 1HB LEU 27 HB2 LEU 27 -13.177 -23.025 16.409 65 2HB LEU 27 HB1 LEU 27 -13.702 -24.297 15.299 66 HG LEU 27 HG LEU 27 -12.734 -23.400 13.449 67 1HD1 LEU 27 HD12 LEU 27 -11.552 -21.304 15.251 68 2HD1 LEU 27 HD11 LEU 27 -11.038 -21.635 13.598 69 3HD1 LEU 27 HD13 LEU 27 -12.633 -21.003 13.901 70 1HD2 LEU 27 HD22 LEU 27 -11.026 -23.717 15.936 71 2HD2 LEU 27 HD21 LEU 27 -11.575 -24.991 14.903 72 3HD2 LEU 27 HD23 LEU 27 -10.359 -23.843 14.305 73 H VAL 28 HN VAL 28 -16.069 -21.127 13.352 74 HA VAL 28 HA VAL 28 -14.564 -18.671 13.652 75 HB VAL 28 HB VAL 28 -17.312 -19.270 12.448 76 1HG1 VAL 28 HG13 VAL 28 -15.501 -16.852 11.885 77 2HG1 VAL 28 HG12 VAL 28 -17.003 -17.228 11.079 78 3HG1 VAL 28 HG11 VAL 28 -17.025 -16.750 12.753 79 1HG2 VAL 28 HG23 VAL 28 -15.320 -20.471 11.460 80 2HG2 VAL 28 HG22 VAL 28 -16.058 -19.327 10.360 81 3HG2 VAL 28 HG21 VAL 28 -14.554 -18.931 11.187 82 H GLY 29 HN GLY 29 -15.632 -16.542 14.254 83 1HA GLY 29 HA1 GLY 29 -16.592 -15.153 15.930 84 2HA GLY 29 HA2 GLY 29 -17.867 -16.347 16.031 85 H LYS 30 HN LYS 30 -14.823 -17.468 16.683 86 HA LYS 30 HA LYS 30 -15.112 -17.337 19.639 87 1HB LYS 30 HB2 LYS 30 -13.599 -19.379 17.998 88 2HB LYS 30 HB1 LYS 30 -13.694 -19.346 19.748 89 1HG LYS 30 HG2 LYS 30 -16.023 -20.031 19.733 90 2HG LYS 30 HG1 LYS 30 -16.137 -19.777 17.987 91 1HD LYS 30 HD2 LYS 30 -14.312 -21.468 17.643 92 2HD LYS 30 HD1 LYS 30 -14.229 -21.760 19.353 93 1HE LYS 30 HE2 LYS 30 -16.832 -22.170 17.881 94 2HE LYS 30 HE1 LYS 30 -15.571 -23.400 17.847 95 1HZ LYS 30 HZ2 LYS 30 -15.742 -22.524 20.478 96 2HZ LYS 30 HZ1 LYS 30 -17.351 -22.895 20.000 97 3HZ LYS 30 HZ3 LYS 30 -16.060 -24.007 19.902 98 H SER 31 HN SER 31 -13.028 -17.183 20.801 99 HA SER 31 HA SER 31 -10.853 -15.928 19.142 100 1HB SER 31 HB2 SER 31 -9.970 -15.501 21.565 101 2HB SER 31 HB1 SER 31 -11.497 -14.690 21.298 102 HG SER 31 HG1 SER 31 -10.939 -16.629 23.039 103 H VAL 32 HN VAL 32 -9.053 -16.074 19.515 104 HA VAL 32 HA VAL 32 -8.361 -18.257 18.274 105 HB VAL 32 HB VAL 32 -7.296 -16.058 19.006 106 1HG1 VAL 32 HG11 VAL 32 -6.660 -16.726 21.392 107 2HG1 VAL 32 HG13 VAL 32 -5.604 -17.982 20.787 108 3HG1 VAL 32 HG12 VAL 32 -5.228 -16.302 20.510 109 1HG2 VAL 32 HG22 VAL 32 -6.410 -17.538 17.230 110 2HG2 VAL 32 HG21 VAL 32 -5.031 -16.888 18.091 111 3HG2 VAL 32 HG23 VAL 32 -5.552 -18.547 18.374 112 H GLU 33 HN GLU 33 -7.754 -18.209 21.864 113 HA GLU 33 HA GLU 33 -6.506 -20.769 21.920 114 1HB GLU 33 HB2 GLU 33 -8.254 -19.413 24.045 115 2HB GLU 33 HB1 GLU 33 -7.261 -20.835 24.345 116 1HG GLU 33 HG2 GLU 33 -6.237 -18.054 23.596 117 2HG GLU 33 HG1 GLU 33 -5.924 -18.947 25.065 118 H GLU 34 HN GLU 34 -9.800 -19.967 22.234 119 HA GLU 34 HA GLU 34 -11.016 -22.529 22.498 120 1HB GLU 34 HB2 GLU 34 -11.852 -19.912 21.861 121 2HB GLU 34 HB1 GLU 34 -12.562 -20.966 20.669 122 1HG GLU 34 HG2 GLU 34 -12.895 -21.211 23.714 123 2HG GLU 34 HG1 GLU 34 -14.130 -20.759 22.561 124 H ALA 35 HN ALA 35 -10.099 -20.746 19.626 125 HA ALA 35 HA ALA 35 -10.691 -22.870 17.750 126 1HB ALA 35 HB2 ALA 35 -8.737 -20.545 17.497 127 2HB ALA 35 HB1 ALA 35 -9.306 -21.528 16.146 128 3HB ALA 35 HB3 ALA 35 -10.436 -20.554 17.068 129 H LYS 36 HN LYS 36 -7.603 -21.985 19.229 130 HA LYS 36 HA LYS 36 -5.917 -23.829 17.963 131 1HB LYS 36 HB2 LYS 36 -5.899 -22.942 20.896 132 2HB LYS 36 HB1 LYS 36 -4.574 -23.778 20.118 133 1HG LYS 36 HG2 LYS 36 -4.468 -21.857 18.463 134 2HG LYS 36 HG1 LYS 36 -5.591 -20.968 19.473 135 1HD LYS 36 HD2 LYS 36 -4.131 -21.348 21.466 136 2HD LYS 36 HD1 LYS 36 -2.931 -22.126 20.478 137 1HE LYS 36 HE2 LYS 36 -3.830 -19.243 20.332 138 2HE LYS 36 HE1 LYS 36 -2.272 -19.808 20.923 139 1HZ LYS 36 HZ1 LYS 36 -2.863 -20.896 18.359 140 2HZ LYS 36 HZ3 LYS 36 -2.947 -19.167 18.325 141 3HZ LYS 36 HZ2 LYS 36 -1.522 -19.998 18.760 142 H LYS 37 HN LYS 37 -7.829 -24.047 20.735 143 HA LYS 37 HA LYS 37 -7.383 -26.553 21.638 144 1HB LYS 37 HB2 LYS 37 -8.751 -24.601 22.552 145 2HB LYS 37 HB1 LYS 37 -10.066 -25.169 21.556 146 1HG LYS 37 HG2 LYS 37 -10.015 -27.347 22.839 147 2HG LYS 37 HG1 LYS 37 -8.896 -26.545 23.954 148 1HD LYS 37 HD2 LYS 37 -10.504 -24.601 24.116 149 2HD LYS 37 HD1 LYS 37 -11.621 -25.483 23.097 150 1HE LYS 37 HE2 LYS 37 -11.790 -27.267 24.799 151 2HE LYS 37 HE1 LYS 37 -10.723 -26.340 25.860 152 1HZ LYS 37 HZ3 LYS 37 -12.685 -24.627 24.760 153 2HZ LYS 37 HZ2 LYS 37 -13.504 -25.916 25.399 154 3HZ LYS 37 HZ1 LYS 37 -12.494 -25.019 26.424 155 H VAL 38 HN VAL 38 -9.892 -25.499 19.494 156 HA VAL 38 HA VAL 38 -10.974 -28.076 18.751 157 HB VAL 38 HB VAL 38 -10.809 -25.604 16.952 158 1HG1 VAL 38 HG11 VAL 38 -11.394 -27.733 15.709 159 2HG1 VAL 38 HG13 VAL 38 -12.704 -28.007 16.850 160 3HG1 VAL 38 HG12 VAL 38 -12.759 -26.645 15.747 161 1HG2 VAL 38 HG22 VAL 38 -12.018 -24.995 18.976 162 2HG2 VAL 38 HG21 VAL 38 -12.984 -24.974 17.523 163 3HG2 VAL 38 HG23 VAL 38 -13.167 -26.296 18.702 164 H ILE 39 HN ILE 39 -8.760 -26.080 17.061 165 HA ILE 39 HA ILE 39 -8.392 -27.715 14.795 166 HB ILE 39 HB ILE 39 -6.576 -25.675 16.152 167 1HG1 ILE 39 HG12 ILE 39 -8.722 -25.587 13.957 168 2HG1 ILE 39 HG11 ILE 39 -8.905 -24.882 15.525 169 1HG2 ILE 39 HG22 ILE 39 -5.560 -27.222 14.338 170 2HG2 ILE 39 HG21 ILE 39 -6.866 -26.525 13.274 171 3HG2 ILE 39 HG23 ILE 39 -5.639 -25.506 13.941 172 1HD1 ILE 39 HD3 ILE 39 -6.817 -24.150 13.489 173 2HD1 ILE 39 HD2 ILE 39 -8.348 -23.255 13.836 174 3HD1 ILE 39 HD1 ILE 39 -7.041 -23.307 15.043 175 H LEU 40 HN LEU 40 -6.431 -27.439 17.688 176 HA LEU 40 HA LEU 40 -4.654 -29.530 17.067 177 1HB LEU 40 HB2 LEU 40 -5.800 -28.477 19.737 178 2HB LEU 40 HB1 LEU 40 -4.396 -29.483 19.608 179 HG LEU 40 HG LEU 40 -4.569 -26.628 18.531 180 1HD1 LEU 40 HD12 LEU 40 -4.409 -26.852 21.028 181 2HD1 LEU 40 HD11 LEU 40 -2.979 -27.857 20.794 182 3HD1 LEU 40 HD13 LEU 40 -2.954 -26.169 20.323 183 1HD2 LEU 40 HD22 LEU 40 -2.187 -28.479 18.525 184 2HD2 LEU 40 HD21 LEU 40 -3.110 -27.930 17.140 185 3HD2 LEU 40 HD23 LEU 40 -2.244 -26.772 18.097 186 H GLN 41 HN GLN 41 -7.964 -29.571 18.445 187 HA GLN 41 HA GLN 41 -7.975 -32.378 19.026 188 1HB GLN 41 HB2 GLN 41 -9.859 -30.769 19.591 189 2HB GLN 41 HB1 GLN 41 -10.297 -30.759 17.895 190 1HG GLN 41 HG2 GLN 41 -10.554 -33.312 17.979 191 2HG GLN 41 HG1 GLN 41 -10.463 -33.152 19.721 192 1HE2 GLN 41 HE21 GLN 41 -13.686 -31.562 17.846 193 2HE2 GLN 41 HE22 GLN 41 -12.203 -31.564 16.986 194 H ASP 42 HN ASP 42 -8.669 -30.703 16.165 195 HA ASP 42 HA ASP 42 -9.342 -32.968 14.479 196 1HB ASP 42 HB2 ASP 42 -8.593 -30.095 13.804 197 2HB ASP 42 HB1 ASP 42 -9.280 -31.227 12.635 198 H LYS 43 HN LYS 43 -6.420 -31.018 14.610 199 HA LYS 43 HA LYS 43 -4.961 -33.295 13.261 200 1HB LYS 43 HB2 LYS 43 -5.441 -31.286 11.755 201 2HB LYS 43 HB1 LYS 43 -4.447 -30.320 12.821 202 1HG LYS 43 HG2 LYS 43 -2.472 -31.776 12.325 203 2HG LYS 43 HG1 LYS 43 -3.463 -32.845 11.372 204 1HD LYS 43 HD2 LYS 43 -2.355 -31.457 9.762 205 2HD LYS 43 HD1 LYS 43 -3.978 -30.808 9.820 206 1HE LYS 43 HE2 LYS 43 -2.611 -28.875 9.946 207 2HE LYS 43 HE1 LYS 43 -3.009 -29.174 11.623 208 1HZ LYS 43 HZ2 LYS 43 -0.730 -30.731 10.951 209 2HZ LYS 43 HZ1 LYS 43 -0.423 -29.145 10.515 210 3HZ LYS 43 HZ3 LYS 43 -0.801 -29.593 12.082 211 HA PRO 44 HA PRO 44 -3.777 -32.647 17.813 212 1HB PRO 44 HB2 PRO 44 -2.445 -35.025 16.474 213 2HB PRO 44 HB1 PRO 44 -2.724 -34.794 18.210 214 1HG PRO 44 HG2 PRO 44 -4.655 -36.040 16.825 215 2HG PRO 44 HG1 PRO 44 -5.151 -34.731 17.901 216 1HD PRO 44 HD1 PRO 44 -5.045 -34.725 14.910 217 2HD PRO 44 HD2 PRO 44 -6.041 -33.737 15.998 218 H GLU 45 HN GLU 45 -1.371 -32.849 15.200 219 HA GLU 45 HA GLU 45 0.655 -31.559 16.836 220 1HB GLU 45 HB2 GLU 45 2.081 -32.183 14.874 221 2HB GLU 45 HB1 GLU 45 1.082 -33.465 15.553 222 1HG GLU 45 HG2 GLU 45 1.155 -33.725 13.140 223 2HG GLU 45 HG1 GLU 45 -0.476 -33.476 13.666 224 H ALA 46 HN ALA 46 -1.724 -30.204 14.947 225 HA ALA 46 HA ALA 46 -0.537 -28.163 13.475 226 1HB ALA 46 HB1 ALA 46 -3.015 -28.609 13.585 227 2HB ALA 46 HB3 ALA 46 -3.101 -28.005 15.194 228 3HB ALA 46 HB2 ALA 46 -2.711 -26.913 13.889 229 H GLN 47 HN GLN 47 1.367 -27.159 14.282 230 HA GLN 47 HA GLN 47 1.435 -25.927 16.936 231 1HB GLN 47 HB2 GLN 47 3.415 -26.949 15.561 232 2HB GLN 47 HB1 GLN 47 3.349 -25.529 14.549 233 1HG GLN 47 HG2 GLN 47 3.915 -25.493 17.551 234 2HG GLN 47 HG1 GLN 47 5.114 -25.323 16.295 235 1HE2 GLN 47 HE21 GLN 47 3.423 -21.981 15.684 236 2HE2 GLN 47 HE22 GLN 47 3.198 -23.376 14.717 237 H ILE 48 HN ILE 48 -0.296 -24.542 16.911 238 HA ILE 48 HA ILE 48 -0.822 -22.734 14.640 239 HB ILE 48 HB ILE 48 -2.284 -23.271 17.044 240 1HG1 ILE 48 HG12 ILE 48 -2.824 -24.136 14.177 241 2HG1 ILE 48 HG11 ILE 48 -1.995 -25.119 15.340 242 1HG2 ILE 48 HG22 ILE 48 -3.074 -21.580 14.614 243 2HG2 ILE 48 HG21 ILE 48 -4.242 -22.079 15.816 244 3HG2 ILE 48 HG23 ILE 48 -2.960 -20.976 16.245 245 1HD1 ILE 48 HD2 ILE 48 -4.037 -25.009 16.770 246 2HD1 ILE 48 HD1 ILE 48 -4.815 -24.111 15.432 247 3HD1 ILE 48 HD3 ILE 48 -4.185 -25.744 15.190 248 H ILE 49 HN ILE 49 0.070 -20.901 14.427 249 HA ILE 49 HA ILE 49 0.517 -19.019 16.701 250 HB ILE 49 HB ILE 49 1.342 -18.859 13.931 251 1HG1 ILE 49 HG12 ILE 49 2.400 -20.800 14.878 252 2HG1 ILE 49 HG11 ILE 49 3.630 -19.587 14.603 253 1HG2 ILE 49 HG21 ILE 49 2.299 -17.284 16.343 254 2HG2 ILE 49 HG23 ILE 49 3.043 -17.169 14.764 255 3HG2 ILE 49 HG22 ILE 49 1.385 -16.647 14.990 256 1HD1 ILE 49 HD1 ILE 49 2.292 -20.162 17.281 257 2HD1 ILE 49 HD3 ILE 49 3.931 -20.605 16.853 258 3HD1 ILE 49 HD2 ILE 49 3.503 -18.919 16.996 259 H VAL 50 HN VAL 50 -0.451 -16.940 16.609 260 HA VAL 50 HA VAL 50 -2.848 -16.765 14.845 261 HB VAL 50 HB VAL 50 -3.087 -16.645 17.293 262 1HG1 VAL 50 HG11 VAL 50 -1.505 -14.043 17.060 263 2HG1 VAL 50 HG13 VAL 50 -2.345 -14.595 18.500 264 3HG1 VAL 50 HG12 VAL 50 -0.991 -15.502 17.887 265 1HG2 VAL 50 HG23 VAL 50 -4.739 -15.468 15.795 266 2HG2 VAL 50 HG22 VAL 50 -4.552 -14.640 17.335 267 3HG2 VAL 50 HG21 VAL 50 -3.773 -14.002 15.901 268 H LEU 51 HN LEU 51 -3.469 -14.878 13.831 269 HA LEU 51 HA LEU 51 -1.360 -12.842 13.409 270 1HB LEU 51 HB2 LEU 51 -2.042 -15.109 11.759 271 2HB LEU 51 HB1 LEU 51 -2.468 -13.701 10.908 272 HG LEU 51 HG LEU 51 0.274 -14.038 12.161 273 1HD1 LEU 51 HD11 LEU 51 -0.600 -15.028 9.372 274 2HD1 LEU 51 HD13 LEU 51 1.047 -14.989 9.965 275 3HD1 LEU 51 HD12 LEU 51 -0.136 -16.045 10.704 276 1HD2 LEU 51 HD21 LEU 51 -0.640 -12.201 9.787 277 2HD2 LEU 51 HD23 LEU 51 -0.179 -11.720 11.380 278 3HD2 LEU 51 HD22 LEU 51 0.990 -12.445 10.334 279 HA PRO 52 HA PRO 52 -5.140 -10.410 13.641 280 1HB PRO 52 HB2 PRO 52 -4.150 -7.892 13.354 281 2HB PRO 52 HB1 PRO 52 -3.777 -8.885 14.770 282 1HG PRO 52 HG2 PRO 52 -2.087 -8.616 12.209 283 2HG PRO 52 HG1 PRO 52 -1.564 -8.312 13.862 284 1HD PRO 52 HD1 PRO 52 -1.147 -10.723 12.710 285 2HD PRO 52 HD2 PRO 52 -1.588 -10.644 14.424 286 H VAL 53 HN VAL 53 -6.582 -10.549 12.174 287 HA VAL 53 HA VAL 53 -6.579 -10.931 9.520 288 HB VAL 53 HB VAL 53 -8.543 -9.734 11.231 289 1HG1 VAL 53 HG13 VAL 53 -8.741 -10.370 8.221 290 2HG1 VAL 53 HG12 VAL 53 -10.168 -10.046 9.214 291 3HG1 VAL 53 HG11 VAL 53 -9.007 -8.771 8.888 292 1HG2 VAL 53 HG21 VAL 53 -7.900 -12.137 11.193 293 2HG2 VAL 53 HG23 VAL 53 -9.595 -11.930 10.763 294 3HG2 VAL 53 HG22 VAL 53 -8.396 -12.225 9.525 295 H GLY 54 HN GLY 54 -6.119 -10.152 7.989 296 1HA GLY 54 HA1 GLY 54 -6.296 -8.142 6.321 297 2HA GLY 54 HA2 GLY 54 -5.876 -7.093 7.685 298 H THR 55 HN THR 55 -3.791 -8.750 8.817 299 HA THR 55 HA THR 55 -1.411 -8.154 7.496 300 HB THR 55 HB THR 55 -2.299 -10.048 9.591 301 HG1 THR 55 HG1 THR 55 -2.627 -8.297 10.434 302 1HG2 THR 55 HG22 THR 55 0.290 -8.770 9.045 303 2HG2 THR 55 HG21 THR 55 -0.233 -9.785 10.411 304 3HG2 THR 55 HG23 THR 55 -0.147 -10.489 8.797 305 H ILE 56 HN ILE 56 -2.502 -9.006 5.224 306 HA ILE 56 HA ILE 56 -2.791 -11.804 4.834 307 HB ILE 56 HB ILE 56 -1.856 -9.628 2.906 308 1HG1 ILE 56 HG12 ILE 56 -4.109 -9.183 3.682 309 2HG1 ILE 56 HG11 ILE 56 -4.246 -9.793 2.046 310 1HG2 ILE 56 HG23 ILE 56 -2.837 -12.453 2.204 311 2HG2 ILE 56 HG22 ILE 56 -2.494 -11.185 1.046 312 3HG2 ILE 56 HG21 ILE 56 -1.192 -11.879 1.984 313 1HD1 ILE 56 HD2 ILE 56 -4.789 -12.105 3.025 314 2HD1 ILE 56 HD1 ILE 56 -4.773 -11.376 4.626 315 3HD1 ILE 56 HD3 ILE 56 -5.958 -10.875 3.454 316 H VAL 57 HN VAL 57 -1.572 -13.338 4.050 317 HA VAL 57 HA VAL 57 1.349 -13.023 4.486 318 HB VAL 57 HB VAL 57 1.196 -15.314 5.634 319 1HG1 VAL 57 HG12 VAL 57 -0.234 -12.987 6.796 320 2HG1 VAL 57 HG11 VAL 57 0.415 -14.320 7.725 321 3HG1 VAL 57 HG13 VAL 57 1.483 -13.260 6.833 322 1HG2 VAL 57 HG22 VAL 57 -1.133 -15.942 4.814 323 2HG2 VAL 57 HG21 VAL 57 -1.030 -15.931 6.562 324 3HG2 VAL 57 HG23 VAL 57 -1.889 -14.666 5.822 325 H THR 58 HN THR 58 1.688 -15.987 4.084 326 HA THR 58 HA THR 58 2.592 -15.868 1.462 327 HB THR 58 HB THR 58 3.534 -18.014 2.740 328 HG1 THR 58 HG1 THR 58 3.679 -17.723 4.790 329 1HG2 THR 58 HG21 THR 58 4.920 -15.902 2.083 330 2HG2 THR 58 HG23 THR 58 4.277 -15.167 3.551 331 3HG2 THR 58 HG22 THR 58 5.338 -16.560 3.662 332 H MET 59 HN MET 59 2.788 -17.483 0.055 333 HA MET 59 HA MET 59 0.493 -19.307 -0.256 334 1HB MET 59 HB2 MET 59 2.761 -18.451 -2.131 335 2HB MET 59 HB1 MET 59 1.529 -19.593 -2.599 336 1HG MET 59 HG2 MET 59 1.000 -17.341 -3.424 337 2HG MET 59 HG1 MET 59 -0.213 -17.880 -2.306 338 1HE MET 59 HE1 MET 59 -0.789 -17.148 -0.353 339 2HE MET 59 HE3 MET 59 -0.155 -15.849 0.630 340 3HE MET 59 HE2 MET 59 -1.217 -15.481 -0.736 341 H GLU 60 HN GLU 60 2.328 -19.859 1.714 342 HA GLU 60 HA GLU 60 4.178 -21.934 0.981 343 1HB GLU 60 HB2 GLU 60 4.793 -21.649 3.314 344 2HB GLU 60 HB1 GLU 60 4.532 -20.089 2.603 345 1HG GLU 60 HG2 GLU 60 2.145 -20.135 3.526 346 2HG GLU 60 HG1 GLU 60 2.545 -21.600 4.379 347 OH TYR 61 OH TYR 61 -0.034 -30.968 2.444 348 H TYR 61 HN TYR 61 4.301 -23.710 2.749 349 HA TYR 61 HA TYR 61 1.687 -25.120 3.089 350 1HB TYR 61 HB2 TYR 61 3.210 -26.024 1.157 351 2HB TYR 61 HB1 TYR 61 4.256 -26.691 2.384 352 HD1 TYR 61 HD2 TYR 61 1.204 -27.026 4.096 353 HD2 TYR 61 HD1 TYR 61 3.319 -28.401 0.698 354 HE1 TYR 61 HE2 TYR 61 -0.148 -28.983 4.082 355 HE2 TYR 61 HE1 TYR 61 1.899 -30.481 0.700 356 HH TYR 61 HH TYR 61 -0.885 -30.637 2.748 357 NH1 ARG 62 NH2 ARG 62 8.561 -23.563 7.418 358 NH2 ARG 62 NH1 ARG 62 7.765 -25.564 8.109 359 H ARG 62 HN ARG 62 2.453 -23.675 5.034 360 HA ARG 62 HA ARG 62 4.276 -25.178 6.830 361 1HB ARG 62 HB2 ARG 62 2.763 -22.600 7.165 362 2HB ARG 62 HB1 ARG 62 3.972 -23.193 8.302 363 1HG ARG 62 HG2 ARG 62 4.332 -22.350 5.417 364 2HG ARG 62 HG1 ARG 62 5.188 -21.655 6.782 365 1HD ARG 62 HD2 ARG 62 5.585 -24.397 5.453 366 2HD ARG 62 HD1 ARG 62 6.756 -23.098 5.530 367 HE ARG 62 HE ARG 62 5.764 -24.336 8.069 368 1HH1 ARG 62 HH21 ARG 62 8.244 -22.693 7.059 369 2HH1 ARG 62 HH22 ARG 62 9.518 -23.759 7.599 370 1HH2 ARG 62 HH12 ARG 62 6.893 -26.050 8.242 371 2HH2 ARG 62 HH11 ARG 62 8.646 -25.963 8.340 372 H ILE 63 HN ILE 63 2.880 -26.744 6.353 373 HA ILE 63 HA ILE 63 0.356 -27.232 7.415 374 HB ILE 63 HB ILE 63 1.645 -28.566 5.694 375 1HG1 ILE 63 HG12 ILE 63 1.214 -30.751 6.335 376 2HG1 ILE 63 HG11 ILE 63 1.102 -30.307 8.058 377 1HG2 ILE 63 HG22 ILE 63 3.854 -28.391 6.874 378 2HG2 ILE 63 HG21 ILE 63 3.258 -29.490 8.101 379 3HG2 ILE 63 HG23 ILE 63 3.476 -30.051 6.449 380 1HD1 ILE 63 HD3 ILE 63 -0.918 -29.049 7.546 381 2HD1 ILE 63 HD2 ILE 63 -0.878 -29.570 5.880 382 3HD1 ILE 63 HD1 ILE 63 -1.139 -30.740 7.152 383 H ASP 64 HN ASP 64 3.308 -27.059 8.865 384 HA ASP 64 HA ASP 64 2.805 -28.248 11.380 385 1HB ASP 64 HB2 ASP 64 4.740 -26.559 11.949 386 2HB ASP 64 HB1 ASP 64 5.060 -27.663 10.612 387 NH1 ARG 65 NH2 ARG 65 1.919 -20.887 8.410 388 NH2 ARG 65 NH1 ARG 65 3.859 -20.018 9.019 389 H ARG 65 HN ARG 65 1.194 -25.730 9.961 390 HA ARG 65 HA ARG 65 0.303 -24.623 12.541 391 1HB ARG 65 HB2 ARG 65 2.139 -23.436 11.746 392 2HB ARG 65 HB1 ARG 65 1.400 -23.411 10.145 393 1HG ARG 65 HG2 ARG 65 -0.254 -21.702 10.830 394 2HG ARG 65 HG1 ARG 65 0.162 -21.907 12.515 395 1HD ARG 65 HD2 ARG 65 1.210 -19.840 11.111 396 2HD ARG 65 HD1 ARG 65 2.150 -20.676 12.352 397 HE ARG 65 HE ARG 65 3.151 -22.127 10.566 398 1HH1 ARG 65 HH22 ARG 65 1.144 -21.453 8.702 399 2HH1 ARG 65 HH21 ARG 65 2.005 -20.463 7.511 400 1HH2 ARG 65 HH12 ARG 65 4.542 -19.928 9.740 401 2HH2 ARG 65 HH11 ARG 65 3.941 -19.583 8.118 402 H VAL 66 HN VAL 66 -1.755 -23.588 12.794 403 HA VAL 66 HA VAL 66 -3.405 -23.583 10.295 404 HB VAL 66 HB VAL 66 -4.483 -23.668 13.099 405 1HG1 VAL 66 HG13 VAL 66 -5.650 -24.012 10.274 406 2HG1 VAL 66 HG12 VAL 66 -6.564 -24.215 11.730 407 3HG1 VAL 66 HG11 VAL 66 -6.018 -22.575 11.252 408 1HG2 VAL 66 HG21 VAL 66 -4.303 -25.469 10.716 409 2HG2 VAL 66 HG23 VAL 66 -3.551 -25.864 12.263 410 3HG2 VAL 66 HG22 VAL 66 -5.350 -25.702 12.149 411 NH1 ARG 67 NH1 ARG 67 -0.274 -19.881 5.933 412 NH2 ARG 67 NH2 ARG 67 0.755 -17.871 5.895 413 H ARG 67 HN ARG 67 -2.664 -21.840 9.606 414 HA ARG 67 HA ARG 67 -2.062 -19.413 10.931 415 1HB ARG 67 HB2 ARG 67 -1.513 -19.529 8.679 416 2HB ARG 67 HB1 ARG 67 -3.141 -20.081 8.180 417 1HG ARG 67 HG2 ARG 67 -4.015 -17.893 8.491 418 2HG ARG 67 HG1 ARG 67 -2.461 -17.286 9.075 419 1HD ARG 67 HD2 ARG 67 -2.866 -18.727 6.394 420 2HD ARG 67 HD1 ARG 67 -2.756 -16.979 6.521 421 HE ARG 67 HE ARG 67 -0.502 -17.675 7.896 422 1HH1 ARG 67 HH12 ARG 67 -1.009 -20.458 6.296 423 2HH1 ARG 67 HH11 ARG 67 0.399 -20.234 5.275 424 1HH2 ARG 67 HH22 ARG 67 0.699 -16.949 6.256 425 2HH2 ARG 67 HH21 ARG 67 1.508 -18.115 5.268 426 H LEU 68 HN LEU 68 -3.243 -18.139 12.157 427 HA LEU 68 HA LEU 68 -6.160 -18.405 11.884 428 1HB LEU 68 HB2 LEU 68 -4.913 -19.521 13.736 429 2HB LEU 68 HB1 LEU 68 -4.318 -17.980 14.241 430 HG LEU 68 HG LEU 68 -6.170 -17.382 15.328 431 1HD1 LEU 68 HD13 LEU 68 -7.647 -17.259 13.271 432 2HD1 LEU 68 HD12 LEU 68 -7.908 -18.986 13.423 433 3HD1 LEU 68 HD11 LEU 68 -8.427 -17.901 14.689 434 1HD2 LEU 68 HD22 LEU 68 -6.632 -20.406 14.897 435 2HD2 LEU 68 HD21 LEU 68 -5.583 -19.736 16.131 436 3HD2 LEU 68 HD23 LEU 68 -7.315 -19.511 16.240 437 H PHE 69 HN PHE 69 -6.096 -16.674 10.259 438 HA PHE 69 HA PHE 69 -5.570 -14.047 11.304 439 1HB PHE 69 HB2 PHE 69 -6.817 -15.139 8.648 440 2HB PHE 69 HB1 PHE 69 -7.007 -13.391 9.001 441 HD1 PHE 69 HD1 PHE 69 -5.331 -12.256 9.975 442 HD2 PHE 69 HD2 PHE 69 -4.498 -15.879 7.809 443 HE1 PHE 69 HE1 PHE 69 -3.065 -11.646 9.743 444 HE2 PHE 69 HE2 PHE 69 -2.378 -15.257 7.609 445 HZ PHE 69 HZ PHE 69 -1.475 -13.192 8.374 446 H VAL 70 HN VAL 70 -6.350 -13.392 12.795 447 HA VAL 70 HA VAL 70 -9.254 -13.825 13.708 448 HB VAL 70 HB VAL 70 -8.589 -13.530 16.001 449 1HG1 VAL 70 HG12 VAL 70 -6.606 -15.416 14.670 450 2HG1 VAL 70 HG11 VAL 70 -7.038 -15.296 16.389 451 3HG1 VAL 70 HG13 VAL 70 -8.249 -15.772 15.207 452 1HG2 VAL 70 HG23 VAL 70 -6.777 -11.831 15.735 453 2HG2 VAL 70 HG22 VAL 70 -6.241 -13.183 16.695 454 3HG2 VAL 70 HG21 VAL 70 -5.743 -13.061 15.016 455 H ASP 71 HN ASP 71 -9.985 -11.726 15.281 456 HA ASP 71 HA ASP 71 -9.335 -9.425 13.524 457 1HB ASP 71 HB2 ASP 71 -11.302 -8.357 14.284 458 2HB ASP 71 HB1 ASP 71 -11.715 -9.983 14.526 459 H LYS 72 HN LYS 72 -10.020 -7.704 15.548 460 HA LYS 72 HA LYS 72 -7.333 -7.266 16.657 461 1HB LYS 72 HB2 LYS 72 -9.745 -5.441 16.368 462 2HB LYS 72 HB1 LYS 72 -8.327 -4.944 17.273 463 1HG LYS 72 HG2 LYS 72 -8.119 -4.045 15.032 464 2HG LYS 72 HG1 LYS 72 -6.892 -5.268 15.269 465 1HD LYS 72 HD2 LYS 72 -8.377 -6.921 14.016 466 2HD LYS 72 HD1 LYS 72 -9.558 -5.641 13.793 467 1HE LYS 72 HE2 LYS 72 -7.665 -4.376 12.598 468 2HE LYS 72 HE1 LYS 72 -6.730 -5.863 12.723 469 1HZ LYS 72 HZ1 LYS 72 -9.299 -6.564 11.842 470 2HZ LYS 72 HZ3 LYS 72 -8.820 -5.249 10.896 471 3HZ LYS 72 HZ2 LYS 72 -7.854 -6.649 10.914 472 H LEU 73 HN LEU 73 -9.790 -8.636 17.648 473 HA LEU 73 HA LEU 73 -8.974 -8.490 20.498 474 1HB LEU 73 HB2 LEU 73 -10.999 -7.374 20.970 475 2HB LEU 73 HB1 LEU 73 -11.049 -7.145 19.240 476 HG LEU 73 HG LEU 73 -12.155 -9.348 19.064 477 1HD1 LEU 73 HD12 LEU 73 -11.941 -9.889 21.600 478 2HD1 LEU 73 HD11 LEU 73 -12.823 -8.425 21.948 479 3HD1 LEU 73 HD13 LEU 73 -13.639 -9.764 21.179 480 1HD2 LEU 73 HD23 LEU 73 -13.556 -6.867 20.212 481 2HD2 LEU 73 HD22 LEU 73 -13.212 -7.185 18.515 482 3HD2 LEU 73 HD21 LEU 73 -14.406 -8.147 19.368 483 H ASP 74 HN ASP 74 -8.079 -10.187 18.726 484 HA ASP 74 HA ASP 74 -7.898 -12.333 17.880 485 1HB ASP 74 HB2 ASP 74 -6.704 -13.115 19.701 486 2HB ASP 74 HB1 ASP 74 -7.356 -11.810 20.647 487 H ASN 75 HN ASN 75 -10.799 -11.749 17.741 488 HA ASN 75 HA ASN 75 -11.754 -14.560 18.060 489 1HB ASN 75 HB2 ASN 75 -13.095 -11.871 17.711 490 2HB ASN 75 HB1 ASN 75 -14.061 -13.335 17.572 491 1HD2 ASN 75 HD21 ASN 75 -14.124 -11.581 20.362 492 2HD2 ASN 75 HD22 ASN 75 -12.407 -11.552 20.266 493 H ILE 76 HN ILE 76 -12.693 -15.632 16.382 494 HA ILE 76 HA ILE 76 -11.244 -15.357 13.931 495 HB ILE 76 HB ILE 76 -13.138 -17.375 14.922 496 1HG1 ILE 76 HG12 ILE 76 -10.155 -16.818 14.394 497 2HG1 ILE 76 HG11 ILE 76 -10.882 -16.681 15.993 498 1HG2 ILE 76 HG22 ILE 76 -11.393 -17.044 12.378 499 2HG2 ILE 76 HG21 ILE 76 -12.211 -18.575 12.811 500 3HG2 ILE 76 HG23 ILE 76 -13.126 -17.169 12.329 501 1HD1 ILE 76 HD1 ILE 76 -11.607 -18.875 15.901 502 2HD1 ILE 76 HD3 ILE 76 -10.702 -19.065 14.364 503 3HD1 ILE 76 HD2 ILE 76 -9.837 -18.679 15.908 504 H ALA 77 HN ALA 77 -11.681 -13.827 13.285 505 HA ALA 77 HA ALA 77 -13.911 -12.549 12.127 506 1HB ALA 77 HB1 ALA 77 -10.901 -12.427 12.252 507 2HB ALA 77 HB3 ALA 77 -11.856 -11.042 11.641 508 3HB ALA 77 HB2 ALA 77 -12.023 -11.639 13.306 509 H GLN 78 HN GLN 78 -11.362 -14.479 10.907 510 HA GLN 78 HA GLN 78 -12.680 -14.610 8.187 511 1HB GLN 78 HB2 GLN 78 -10.422 -13.516 8.148 512 2HB GLN 78 HB1 GLN 78 -9.730 -14.888 8.985 513 1HG GLN 78 HG2 GLN 78 -10.764 -16.244 6.823 514 2HG GLN 78 HG1 GLN 78 -10.643 -14.657 6.101 515 1HE2 GLN 78 HE21 GLN 78 -7.399 -16.845 6.454 516 2HE2 GLN 78 HE22 GLN 78 -8.938 -17.465 6.885 517 H VAL 79 HN VAL 79 -12.706 -17.024 7.299 518 HA VAL 79 HA VAL 79 -12.675 -18.748 9.636 519 HB VAL 79 HB VAL 79 -12.880 -19.541 6.678 520 1HG1 VAL 79 HG12 VAL 79 -13.074 -21.136 9.304 521 2HG1 VAL 79 HG11 VAL 79 -13.315 -21.792 7.705 522 3HG1 VAL 79 HG13 VAL 79 -11.716 -21.334 8.257 523 1HG2 VAL 79 HG22 VAL 79 -14.532 -19.751 9.168 524 2HG2 VAL 79 HG21 VAL 79 -14.934 -18.574 7.908 525 3HG2 VAL 79 HG23 VAL 79 -15.098 -20.323 7.606 526 HA PRO 80 HA PRO 80 -8.203 -19.232 9.261 527 1HB PRO 80 HB2 PRO 80 -8.401 -21.290 11.391 528 2HB PRO 80 HB1 PRO 80 -7.682 -19.682 11.442 529 1HG PRO 80 HG2 PRO 80 -10.028 -20.041 12.750 530 2HG PRO 80 HG1 PRO 80 -9.864 -18.606 11.728 531 1HD PRO 80 HD1 PRO 80 -10.937 -21.286 10.738 532 2HD PRO 80 HD2 PRO 80 -11.942 -19.842 10.882 533 NH1 ARG 81 NH2 ARG 81 -10.762 -21.523 6.124 534 NH2 ARG 81 NH1 ARG 81 -10.609 -20.960 4.041 535 H ARG 81 HN ARG 81 -6.483 -21.084 9.022 536 HA ARG 81 HA ARG 81 -7.506 -23.583 8.030 537 1HB ARG 81 HB2 ARG 81 -6.735 -23.140 5.584 538 2HB ARG 81 HB1 ARG 81 -8.296 -22.572 6.125 539 1HG ARG 81 HG2 ARG 81 -6.874 -20.508 6.839 540 2HG ARG 81 HG1 ARG 81 -5.778 -21.086 5.609 541 1HD ARG 81 HD2 ARG 81 -7.382 -19.495 4.507 542 2HD ARG 81 HD1 ARG 81 -7.862 -21.113 4.021 543 HE ARG 81 HE ARG 81 -9.240 -19.541 6.231 544 1HH1 ARG 81 HH21 ARG 81 -10.384 -21.505 7.037 545 2HH1 ARG 81 HH22 ARG 81 -11.602 -22.044 5.955 546 1HH2 ARG 81 HH12 ARG 81 -10.149 -20.442 3.326 547 2HH2 ARG 81 HH11 ARG 81 -11.418 -21.527 3.857 548 H VAL 82 HN VAL 82 -5.570 -24.915 6.828 549 HA VAL 82 HA VAL 82 -3.353 -24.520 8.695 550 HB VAL 82 HB VAL 82 -3.728 -26.761 6.591 551 1HG1 VAL 82 HG12 VAL 82 -1.413 -26.447 7.672 552 2HG1 VAL 82 HG11 VAL 82 -2.229 -26.543 9.225 553 3HG1 VAL 82 HG13 VAL 82 -2.256 -27.920 8.133 554 1HG2 VAL 82 HG22 VAL 82 -4.526 -26.678 9.417 555 2HG2 VAL 82 HG21 VAL 82 -5.532 -26.649 7.989 556 3HG2 VAL 82 HG23 VAL 82 -4.541 -28.068 8.346 557 H GLY 83 HN GLY 83 -2.348 -25.864 6.114 558 1HA GLY 83 HA1 GLY 83 -1.027 -24.249 4.236 559 2HA GLY 83 GLY 83 0.088 -24.922 5.524 Start of MODEL 2 Raw file had 559 H/Q atoms Start of MODEL 2 1 H LEU 20 HN LEU 20 -7.491 -33.604 10.134 2 HA LEU 20 HA LEU 20 -8.610 -34.944 7.804 3 1HB LEU 20 HB2 LEU 20 -9.273 -35.134 10.295 4 2HB LEU 20 HB1 LEU 20 -10.071 -33.596 10.124 5 HG LEU 20 HG LEU 20 -10.785 -36.054 8.457 6 1HD1 LEU 20 HD12 LEU 20 -11.165 -36.344 10.921 7 2HD1 LEU 20 HD11 LEU 20 -12.081 -34.853 10.958 8 3HD1 LEU 20 HD13 LEU 20 -12.687 -36.239 10.058 9 1HD2 LEU 20 HD22 LEU 20 -12.315 -33.465 9.020 10 2HD2 LEU 20 HD21 LEU 20 -11.542 -33.845 7.482 11 3HD2 LEU 20 HD23 LEU 20 -12.889 -34.809 8.045 12 H LYS 21 HN LYS 21 -9.076 -31.678 9.196 13 HA LYS 21 HA LYS 21 -10.242 -30.733 6.642 14 1HB LYS 21 HB2 LYS 21 -10.159 -29.633 9.466 15 2HB LYS 21 HB1 LYS 21 -10.898 -28.762 8.136 16 1HG LYS 21 HG2 LYS 21 -12.738 -30.170 8.038 17 2HG LYS 21 HG1 LYS 21 -11.816 -31.569 8.503 18 1HD LYS 21 HD2 LYS 21 -13.426 -30.920 10.322 19 2HD LYS 21 HD1 LYS 21 -11.780 -30.895 10.868 20 1HE LYS 21 HE2 LYS 21 -12.948 -28.905 11.697 21 2HE LYS 21 HE1 LYS 21 -11.759 -28.393 10.501 22 1HZ LYS 21 HZ3 LYS 21 -14.115 -29.153 9.188 23 2HZ LYS 21 HZ2 LYS 21 -14.533 -28.009 10.410 24 3HZ LYS 21 HZ1 LYS 21 -13.347 -27.638 9.237 25 H THR 22 HN THR 22 -9.621 -28.843 5.696 26 HA THR 22 HA THR 22 -6.912 -27.852 6.454 27 HB THR 22 HB THR 22 -6.908 -26.739 4.141 28 HG1 THR 22 HG1 THR 22 -9.273 -27.005 3.669 29 1HG2 THR 22 HG22 THR 22 -5.838 -29.024 4.451 30 2HG2 THR 22 HG21 THR 22 -7.400 -29.728 4.041 31 3HG2 THR 22 HG23 THR 22 -6.546 -28.764 2.853 32 H GLU 23 HN GLU 23 -10.178 -27.400 6.642 33 HA GLU 23 HA GLU 23 -9.854 -24.539 7.387 34 1HB GLU 23 HB2 GLU 23 -12.045 -24.020 6.249 35 2HB GLU 23 HB1 GLU 23 -10.735 -24.480 5.182 36 1HG GLU 23 HG2 GLU 23 -12.803 -26.546 6.061 37 2HG GLU 23 HG1 GLU 23 -13.065 -25.544 4.650 38 CH2 TRP 24 CH2 TRP 24 -7.200 -27.760 10.099 39 H TRP 24 HN TRP 24 -10.766 -23.902 9.135 40 HA TRP 24 HA TRP 24 -12.777 -25.596 10.578 41 1HB TRP 24 HB2 TRP 24 -10.585 -23.847 11.868 42 2HB TRP 24 HB1 TRP 24 -11.769 -24.736 12.617 43 HD1 TRP 24 HD1 TRP 24 -11.782 -26.739 13.239 44 HE1 TRP 24 HE1 TRP 24 -10.124 -28.698 13.005 45 HE3 TRP 24 HE3 TRP 24 -8.824 -24.841 9.798 46 HZ2 TRP 24 HZ2 TRP 24 -7.748 -29.330 11.436 47 HZ3 TRP 24 HZ3 TRP 24 -6.921 -25.998 8.899 48 HH2 TRP 24 HH2 TRP 24 -6.353 -28.299 9.693 49 HA PRO 25 HA PRO 25 -14.871 -21.687 9.849 50 1HB PRO 25 HB2 PRO 25 -17.079 -22.690 8.639 51 2HB PRO 25 HB1 PRO 25 -15.500 -22.664 7.815 52 1HG PRO 25 HG2 PRO 25 -16.627 -25.032 9.359 53 2HG PRO 25 HG1 PRO 25 -16.187 -24.944 7.642 54 1HD PRO 25 HD1 PRO 25 -14.350 -25.746 9.446 55 2HD PRO 25 HD2 PRO 25 -13.861 -24.681 8.101 56 H GLU 26 HN GLU 26 -15.796 -24.690 11.413 57 HA GLU 26 HA GLU 26 -18.041 -23.883 12.890 58 1HB GLU 26 HB2 GLU 26 -15.730 -25.605 13.767 59 2HB GLU 26 HB1 GLU 26 -17.341 -25.680 14.464 60 1HG GLU 26 HG2 GLU 26 -17.425 -27.510 12.919 61 2HG GLU 26 HG1 GLU 26 -17.973 -26.232 11.868 62 H LEU 27 HN LEU 27 -14.663 -23.210 13.393 63 HA LEU 27 HA LEU 27 -15.226 -21.783 15.887 64 1HB LEU 27 HB2 LEU 27 -12.849 -22.337 16.346 65 2HB LEU 27 HB1 LEU 27 -13.821 -23.685 15.759 66 HG LEU 27 HG LEU 27 -12.831 -23.573 13.606 67 1HD1 LEU 27 HD13 LEU 27 -10.798 -21.862 15.130 68 2HD1 LEU 27 HD12 LEU 27 -10.472 -22.585 13.574 69 3HD1 LEU 27 HD11 LEU 27 -11.729 -21.364 13.729 70 1HD2 LEU 27 HD23 LEU 27 -12.374 -25.210 15.391 71 2HD2 LEU 27 HD22 LEU 27 -10.900 -24.876 14.506 72 3HD2 LEU 27 HD21 LEU 27 -11.173 -24.130 16.069 73 H VAL 28 HN VAL 28 -15.928 -20.738 13.363 74 HA VAL 28 HA VAL 28 -14.226 -18.386 12.977 75 HB VAL 28 HB VAL 28 -16.886 -19.405 11.948 76 1HG1 VAL 28 HG12 VAL 28 -15.745 -16.636 11.298 77 2HG1 VAL 28 HG11 VAL 28 -17.127 -17.405 10.525 78 3HG1 VAL 28 HG13 VAL 28 -17.224 -16.940 12.205 79 1HG2 VAL 28 HG21 VAL 28 -14.656 -20.120 10.974 80 2HG2 VAL 28 HG23 VAL 28 -15.680 -19.278 9.824 81 3HG2 VAL 28 HG22 VAL 28 -14.323 -18.452 10.568 82 H GLY 29 HN GLY 29 -14.954 -16.181 13.522 83 1HA GLY 29 HA2 GLY 29 -15.561 -14.642 15.205 84 2HA GLY 29 HA1 GLY 29 -17.123 -15.459 15.166 85 H LYS 30 HN LYS 30 -14.266 -17.102 16.029 86 HA LYS 30 HA LYS 30 -14.995 -17.085 18.914 87 1HB LYS 30 HB2 LYS 30 -13.694 -19.269 17.272 88 2HB LYS 30 HB1 LYS 30 -13.923 -19.461 18.996 89 1HG LYS 30 HG2 LYS 30 -15.953 -19.571 16.738 90 2HG LYS 30 HG1 LYS 30 -15.706 -20.703 18.020 91 1HD LYS 30 HD2 LYS 30 -16.846 -17.940 18.612 92 2HD LYS 30 HD1 LYS 30 -17.862 -19.212 18.030 93 1HE LYS 30 HE2 LYS 30 -18.084 -19.213 20.412 94 2HE LYS 30 HE1 LYS 30 -17.083 -20.607 20.014 95 1HZ LYS 30 HZ3 LYS 30 -15.332 -18.484 20.297 96 2HZ LYS 30 HZ2 LYS 30 -16.368 -18.380 21.637 97 3HZ LYS 30 HZ1 LYS 30 -15.493 -19.775 21.332 98 H SER 31 HN SER 31 -12.923 -17.930 20.303 99 HA SER 31 HA SER 31 -10.729 -16.056 19.476 100 1HB SER 31 HB2 SER 31 -9.855 -16.584 21.804 101 2HB SER 31 HB1 SER 31 -11.547 -16.209 21.977 102 HG SER 31 HG1 SER 31 -11.981 -18.418 22.175 103 H VAL 32 HN VAL 32 -8.854 -16.286 19.884 104 HA VAL 32 HA VAL 32 -8.261 -18.162 17.949 105 HB VAL 32 HB VAL 32 -7.424 -15.817 18.557 106 1HG1 VAL 32 HG12 VAL 32 -6.679 -16.337 20.893 107 2HG1 VAL 32 HG11 VAL 32 -5.378 -17.331 20.296 108 3HG1 VAL 32 HG13 VAL 32 -5.376 -15.614 19.978 109 1HG2 VAL 32 HG23 VAL 32 -6.338 -17.093 16.672 110 2HG2 VAL 32 HG22 VAL 32 -5.147 -16.107 17.492 111 3HG2 VAL 32 HG21 VAL 32 -5.210 -17.843 17.786 112 H GLU 33 HN GLU 33 -7.962 -18.152 21.337 113 HA GLU 33 HA GLU 33 -6.204 -20.492 21.524 114 1HB GLU 33 HB2 GLU 33 -7.701 -18.642 23.427 115 2HB GLU 33 HB1 GLU 33 -7.216 -20.174 24.108 116 1HG GLU 33 HG2 GLU 33 -5.293 -18.235 22.654 117 2HG GLU 33 HG1 GLU 33 -5.411 -18.380 24.397 118 H GLU 34 HN GLU 34 -9.593 -19.967 21.746 119 HA GLU 34 HA GLU 34 -10.334 -22.729 22.228 120 1HB GLU 34 HB2 GLU 34 -11.688 -20.462 20.776 121 2HB GLU 34 HB1 GLU 34 -12.396 -22.063 20.812 122 1HG GLU 34 HG2 GLU 34 -12.676 -21.942 23.269 123 2HG GLU 34 HG1 GLU 34 -11.876 -20.366 23.313 124 H ALA 35 HN ALA 35 -9.960 -20.796 19.221 125 HA ALA 35 HA ALA 35 -10.357 -22.702 17.310 126 1HB ALA 35 HB1 ALA 35 -8.210 -20.544 17.428 127 2HB ALA 35 HB3 ALA 35 -8.775 -21.346 15.947 128 3HB ALA 35 HB2 ALA 35 -9.868 -20.362 16.891 129 H LYS 36 HN LYS 36 -7.131 -22.086 18.751 130 HA LYS 36 HA LYS 36 -5.770 -24.058 17.361 131 1HB LYS 36 HB2 LYS 36 -5.457 -23.137 20.251 132 2HB LYS 36 HB1 LYS 36 -4.269 -24.148 19.415 133 1HG LYS 36 HG2 LYS 36 -3.921 -22.307 17.821 134 2HG LYS 36 HG1 LYS 36 -5.100 -21.321 18.638 135 1HD LYS 36 HD2 LYS 36 -3.688 -21.952 20.812 136 2HD LYS 36 HD1 LYS 36 -2.474 -22.470 19.670 137 1HE LYS 36 HE2 LYS 36 -1.962 -20.254 20.394 138 2HE LYS 36 HE1 LYS 36 -2.467 -20.181 18.707 139 1HZ LYS 36 HZ2 LYS 36 -4.782 -20.034 20.184 140 2HZ LYS 36 HZ1 LYS 36 -3.708 -19.098 21.017 141 3HZ LYS 36 HZ3 LYS 36 -4.074 -18.706 19.365 142 H LYS 37 HN LYS 37 -7.352 -24.204 20.372 143 HA LYS 37 HA LYS 37 -6.734 -26.799 20.953 144 1HB LYS 37 HB2 LYS 37 -9.102 -25.082 21.748 145 2HB LYS 37 HB1 LYS 37 -8.758 -26.625 22.533 146 1HG LYS 37 HG2 LYS 37 -6.535 -25.896 23.243 147 2HG LYS 37 HG1 LYS 37 -6.602 -24.458 22.261 148 1HD LYS 37 HD2 LYS 37 -8.490 -23.593 23.708 149 2HD LYS 37 HD1 LYS 37 -8.364 -25.036 24.687 150 1HE LYS 37 HE2 LYS 37 -7.152 -23.209 25.784 151 2HE LYS 37 HE1 LYS 37 -6.011 -24.448 25.277 152 1HZ LYS 37 HZ3 LYS 37 -6.373 -22.662 23.121 153 2HZ LYS 37 HZ2 LYS 37 -6.046 -21.714 24.496 154 3HZ LYS 37 HZ1 LYS 37 -4.940 -22.807 24.056 155 H VAL 38 HN VAL 38 -9.562 -25.610 19.361 156 HA VAL 38 HA VAL 38 -10.760 -28.218 18.800 157 HB VAL 38 HB VAL 38 -10.971 -25.774 17.084 158 1HG1 VAL 38 HG12 VAL 38 -12.640 -28.342 17.211 159 2HG1 VAL 38 HG11 VAL 38 -13.112 -26.952 16.257 160 3HG1 VAL 38 HG13 VAL 38 -11.636 -27.810 15.858 161 1HG2 VAL 38 HG21 VAL 38 -11.838 -25.146 19.239 162 2HG2 VAL 38 HG23 VAL 38 -13.111 -25.273 18.039 163 3HG2 VAL 38 HG22 VAL 38 -12.921 -26.535 19.267 164 H ILE 39 HN ILE 39 -8.870 -26.052 16.759 165 HA ILE 39 HA ILE 39 -8.755 -27.619 14.424 166 HB ILE 39 HB ILE 39 -6.721 -25.662 15.636 167 1HG1 ILE 39 HG12 ILE 39 -8.966 -25.466 13.603 168 2HG1 ILE 39 HG11 ILE 39 -8.930 -24.680 15.155 169 1HG2 ILE 39 HG22 ILE 39 -5.709 -27.158 13.837 170 2HG2 ILE 39 HG21 ILE 39 -7.065 -26.614 12.753 171 3HG2 ILE 39 HG23 ILE 39 -5.910 -25.483 13.367 172 1HD1 ILE 39 HD2 ILE 39 -7.008 -24.115 12.854 173 2HD1 ILE 39 HD1 ILE 39 -8.419 -23.115 13.380 174 3HD1 ILE 39 HD3 ILE 39 -7.010 -23.296 14.429 175 H LEU 40 HN LEU 40 -6.565 -27.539 17.141 176 HA LEU 40 HA LEU 40 -4.939 -29.712 16.381 177 1HB LEU 40 HB2 LEU 40 -5.725 -28.495 19.085 178 2HB LEU 40 HB1 LEU 40 -4.391 -29.592 18.859 179 HG LEU 40 HG LEU 40 -4.643 -26.951 17.380 180 1HD1 LEU 40 HD13 LEU 40 -4.160 -26.713 19.856 181 2HD1 LEU 40 HD12 LEU 40 -2.776 -27.770 19.631 182 3HD1 LEU 40 HD11 LEU 40 -2.821 -26.194 18.846 183 1HD2 LEU 40 HD22 LEU 40 -3.358 -28.751 16.180 184 2HD2 LEU 40 HD21 LEU 40 -2.547 -27.357 16.752 185 3HD2 LEU 40 HD23 LEU 40 -2.299 -28.871 17.587 186 H GLN 41 HN GLN 41 -7.966 -29.618 18.060 187 HA GLN 41 HA GLN 41 -8.008 -32.355 18.865 188 1HB GLN 41 HB2 GLN 41 -9.693 -30.529 19.467 189 2HB GLN 41 HB1 GLN 41 -10.378 -30.710 17.861 190 1HG GLN 41 HG2 GLN 41 -10.482 -33.339 18.586 191 2HG GLN 41 HG1 GLN 41 -10.526 -32.601 20.176 192 1HE2 GLN 41 HE22 GLN 41 -13.722 -32.218 17.812 193 2HE2 GLN 41 HE21 GLN 41 -12.275 -32.823 17.123 194 H ASP 42 HN ASP 42 -8.497 -30.768 15.930 195 HA ASP 42 HA ASP 42 -9.325 -33.140 14.359 196 1HB ASP 42 HB2 ASP 42 -10.134 -30.762 13.944 197 2HB ASP 42 HB1 ASP 42 -8.554 -30.407 13.246 198 H LYS 43 HN LYS 43 -6.592 -31.006 14.131 199 HA LYS 43 HA LYS 43 -4.925 -33.138 12.825 200 1HB LYS 43 HB2 LYS 43 -5.773 -31.130 11.530 201 2HB LYS 43 HB1 LYS 43 -4.766 -30.127 12.550 202 1HG LYS 43 HG2 LYS 43 -2.756 -31.412 11.749 203 2HG LYS 43 HG1 LYS 43 -3.814 -32.303 10.665 204 1HD LYS 43 HD2 LYS 43 -4.595 -30.237 9.563 205 2HD LYS 43 HD1 LYS 43 -3.667 -29.249 10.676 206 1HE LYS 43 HE2 LYS 43 -2.312 -31.243 8.848 207 2HE LYS 43 HE1 LYS 43 -2.678 -29.606 8.322 208 1HZ LYS 43 HZ3 LYS 43 -1.511 -29.533 10.911 209 2HZ LYS 43 HZ2 LYS 43 -0.568 -30.489 10.069 210 3HZ LYS 43 HZ1 LYS 43 -0.803 -28.902 9.516 211 HA PRO 44 HA PRO 44 -3.299 -32.744 17.201 212 1HB PRO 44 HB2 PRO 44 -1.775 -34.865 15.611 213 2HB PRO 44 HB1 PRO 44 -1.975 -34.767 17.368 214 1HG PRO 44 HG2 PRO 44 -3.818 -36.197 16.064 215 2HG PRO 44 HG1 PRO 44 -4.413 -34.975 17.193 216 1HD PRO 44 HD1 PRO 44 -4.356 -34.815 14.169 217 2HD PRO 44 HD2 PRO 44 -5.547 -34.151 15.304 218 H GLU 45 HN GLU 45 -0.961 -32.697 14.407 219 HA GLU 45 HA GLU 45 0.876 -31.185 16.045 220 1HB GLU 45 HB2 GLU 45 2.348 -31.539 14.065 221 2HB GLU 45 HB1 GLU 45 1.562 -32.970 14.729 222 1HG GLU 45 HG2 GLU 45 1.681 -33.025 12.239 223 2HG GLU 45 HG1 GLU 45 0.071 -33.260 12.845 224 H ALA 46 HN ALA 46 -1.730 -29.829 14.601 225 HA ALA 46 HA ALA 46 -0.455 -27.762 13.029 226 1HB ALA 46 HB3 ALA 46 -2.922 -28.284 12.891 227 2HB ALA 46 HB2 ALA 46 -3.231 -27.633 14.473 228 3HB ALA 46 HB1 ALA 46 -2.633 -26.591 13.204 229 H GLN 47 HN GLN 47 1.302 -26.700 14.036 230 HA GLN 47 HA GLN 47 1.099 -25.739 16.819 231 1HB GLN 47 HB2 GLN 47 3.233 -26.539 15.519 232 2HB GLN 47 HB1 GLN 47 3.246 -24.926 14.813 233 1HG GLN 47 HG2 GLN 47 3.286 -23.910 17.154 234 2HG GLN 47 HG1 GLN 47 3.302 -25.522 17.844 235 1HE2 GLN 47 HE22 GLN 47 6.743 -25.279 15.945 236 2HE2 GLN 47 HE21 GLN 47 5.302 -25.569 15.071 237 H ILE 48 HN ILE 48 -0.861 -24.652 16.251 238 HA ILE 48 HA ILE 48 -0.995 -22.359 14.517 239 HB ILE 48 HB ILE 48 -2.791 -23.402 16.494 240 1HG1 ILE 48 HG12 ILE 48 -3.154 -23.761 13.475 241 2HG1 ILE 48 HG11 ILE 48 -2.104 -24.839 14.374 242 1HG2 ILE 48 HG22 ILE 48 -3.252 -20.964 15.963 243 2HG2 ILE 48 HG21 ILE 48 -3.271 -21.362 14.248 244 3HG2 ILE 48 HG23 ILE 48 -4.521 -22.002 15.306 245 1HD1 ILE 48 HD1 ILE 48 -4.028 -25.375 15.790 246 2HD1 ILE 48 HD3 ILE 48 -4.988 -24.231 14.812 247 3HD1 ILE 48 HD2 ILE 48 -4.194 -25.606 14.049 248 H ILE 49 HN ILE 49 -0.401 -20.372 14.957 249 HA ILE 49 HA ILE 49 -0.442 -19.390 17.815 250 HB ILE 49 HB ILE 49 1.445 -19.124 15.686 251 1HG1 ILE 49 HG12 ILE 49 3.110 -19.278 17.433 252 2HG1 ILE 49 HG11 ILE 49 1.916 -19.004 18.668 253 1HG2 ILE 49 HG22 ILE 49 0.824 -16.657 16.085 254 2HG2 ILE 49 HG21 ILE 49 1.097 -16.952 17.794 255 3HG2 ILE 49 HG23 ILE 49 2.438 -16.998 16.684 256 1HD1 ILE 49 HD2 ILE 49 1.969 -21.477 16.856 257 2HD1 ILE 49 HD1 ILE 49 2.589 -21.399 18.498 258 3HD1 ILE 49 HD3 ILE 49 0.887 -21.203 18.222 259 H VAL 50 HN VAL 50 -0.783 -17.088 17.940 260 HA VAL 50 HA VAL 50 -3.231 -16.191 16.645 261 HB VAL 50 HB VAL 50 -2.751 -15.614 18.994 262 1HG1 VAL 50 HG11 VAL 50 -0.468 -13.904 17.913 263 2HG1 VAL 50 HG13 VAL 50 -1.023 -13.896 19.577 264 3HG1 VAL 50 HG12 VAL 50 -0.275 -15.332 18.906 265 1HG2 VAL 50 HG23 VAL 50 -2.879 -13.145 17.209 266 2HG2 VAL 50 HG22 VAL 50 -4.243 -14.097 17.775 267 3HG2 VAL 50 HG21 VAL 50 -3.278 -13.186 18.909 268 H LEU 51 HN LEU 51 -3.484 -15.098 14.834 269 HA LEU 51 HA LEU 51 -1.220 -13.550 13.689 270 1HB LEU 51 HB2 LEU 51 -2.308 -16.077 12.893 271 2HB LEU 51 HB1 LEU 51 -2.744 -14.951 11.653 272 HG LEU 51 HG LEU 51 0.122 -14.839 12.664 273 1HD1 LEU 51 HD13 LEU 51 -1.033 -16.934 10.793 274 2HD1 LEU 51 HD12 LEU 51 0.680 -16.690 11.046 275 3HD1 LEU 51 HD11 LEU 51 -0.338 -17.266 12.356 276 1HD2 LEU 51 HD22 LEU 51 -0.922 -13.275 10.862 277 2HD2 LEU 51 HD21 LEU 51 0.478 -14.156 10.298 278 3HD2 LEU 51 HD23 LEU 51 -1.121 -14.663 9.832 279 HA PRO 52 HA PRO 52 -4.777 -10.808 13.792 280 1HB PRO 52 HB2 PRO 52 -2.611 -8.897 12.790 281 2HB PRO 52 HB1 PRO 52 -3.821 -8.594 14.037 282 1HG PRO 52 HG2 PRO 52 -1.350 -9.170 14.895 283 2HG PRO 52 HG1 PRO 52 -2.675 -10.092 15.628 284 1HD PRO 52 HD1 PRO 52 -0.929 -10.946 13.263 285 2HD PRO 52 HD2 PRO 52 -1.227 -11.815 14.795 286 H VAL 53 HN VAL 53 -6.164 -11.099 12.232 287 HA VAL 53 HA VAL 53 -5.874 -11.898 9.685 288 HB VAL 53 HB VAL 53 -8.097 -11.681 10.875 289 1HG1 VAL 53 HG11 VAL 53 -7.698 -9.390 11.799 290 2HG1 VAL 53 HG13 VAL 53 -7.878 -8.707 10.202 291 3HG1 VAL 53 HG12 VAL 53 -9.242 -9.512 10.968 292 1HG2 VAL 53 HG23 VAL 53 -8.119 -11.886 8.331 293 2HG2 VAL 53 HG22 VAL 53 -9.464 -10.949 8.936 294 3HG2 VAL 53 HG21 VAL 53 -8.079 -10.144 8.233 295 H GLY 54 HN GLY 54 -5.738 -11.203 7.803 296 1HA GLY 54 HA2 GLY 54 -5.297 -9.510 5.998 297 2HA GLY 54 HA1 GLY 54 -5.047 -8.296 7.243 298 H THR 55 HN THR 55 -3.182 -10.205 8.739 299 HA THR 55 HA THR 55 -0.648 -9.511 7.933 300 HB THR 55 HB THR 55 -2.003 -11.472 9.666 301 HG1 THR 55 HG1 THR 55 -1.987 -9.652 10.637 302 1HG2 THR 55 HG23 THR 55 0.869 -10.753 9.566 303 2HG2 THR 55 HG22 THR 55 -0.071 -11.601 10.803 304 3HG2 THR 55 HG21 THR 55 0.076 -12.340 9.206 305 H ILE 56 HN ILE 56 1.069 -11.405 7.408 306 HA ILE 56 HA ILE 56 0.551 -12.130 4.680 307 HB ILE 56 HB ILE 56 2.614 -13.331 6.535 308 1HG1 ILE 56 HG12 ILE 56 2.691 -10.914 6.453 309 2HG1 ILE 56 HG11 ILE 56 4.078 -11.578 5.600 310 1HG2 ILE 56 HG21 ILE 56 2.454 -13.182 3.480 311 2HG2 ILE 56 HG23 ILE 56 3.837 -13.785 4.382 312 3HG2 ILE 56 HG22 ILE 56 2.306 -14.633 4.434 313 1HD1 ILE 56 HD2 ILE 56 2.815 -11.085 3.412 314 2HD1 ILE 56 HD1 ILE 56 1.562 -10.312 4.374 315 3HD1 ILE 56 HD3 ILE 56 3.177 -9.657 4.359 316 H VAL 57 HN VAL 57 -1.064 -13.226 4.328 317 HA VAL 57 HA VAL 57 -1.417 -15.975 5.494 318 HB VAL 57 HB VAL 57 -3.510 -15.725 3.703 319 1HG1 VAL 57 HG12 VAL 57 -3.451 -15.251 6.687 320 2HG1 VAL 57 HG11 VAL 57 -4.928 -15.585 5.796 321 3HG1 VAL 57 HG13 VAL 57 -3.689 -16.811 5.889 322 1HG2 VAL 57 HG22 VAL 57 -3.226 -13.131 5.129 323 2HG2 VAL 57 HG21 VAL 57 -3.479 -13.358 3.410 324 3HG2 VAL 57 HG23 VAL 57 -4.791 -13.700 4.576 325 H THR 58 HN THR 58 -1.421 -14.490 2.391 326 HA THR 58 HA THR 58 -1.153 -16.887 0.932 327 HB THR 58 HB THR 58 -0.247 -14.524 -0.303 328 HG1 THR 58 HG1 THR 58 -1.604 -13.096 0.335 329 1HG2 THR 58 HG23 THR 58 -1.398 -16.588 -1.134 330 2HG2 THR 58 HG22 THR 58 -2.811 -16.138 -0.197 331 3HG2 THR 58 HG21 THR 58 -2.384 -15.166 -1.632 332 H MET 59 HN MET 59 0.153 -17.499 2.197 333 HA MET 59 HA MET 59 3.081 -17.142 1.931 334 1HB MET 59 HB2 MET 59 1.944 -17.086 4.166 335 2HB MET 59 HB1 MET 59 1.377 -18.722 3.914 336 1HG MET 59 HG2 MET 59 3.671 -19.572 4.003 337 2HG MET 59 HG1 MET 59 4.328 -17.955 4.111 338 1HE MET 59 HE1 MET 59 4.274 -16.483 6.057 339 2HE MET 59 HE3 MET 59 4.207 -17.065 7.701 340 3HE MET 59 HE2 MET 59 5.519 -17.610 6.649 341 H GLU 60 HN GLU 60 4.175 -19.447 2.183 342 HA GLU 60 HA GLU 60 3.443 -21.162 -0.038 343 1HB GLU 60 HB2 GLU 60 5.543 -22.227 0.696 344 2HB GLU 60 HB1 GLU 60 5.794 -20.518 0.580 345 1HG GLU 60 HG2 GLU 60 5.662 -20.252 2.986 346 2HG GLU 60 HG1 GLU 60 5.095 -21.902 3.204 347 OH TYR 61 OH TYR 61 -1.387 -29.414 3.615 348 H TYR 61 HN TYR 61 3.958 -23.612 1.212 349 HA TYR 61 HA TYR 61 1.358 -23.916 2.617 350 1HB TYR 61 HB2 TYR 61 1.822 -25.292 0.659 351 2HB TYR 61 HB1 TYR 61 3.228 -25.997 1.460 352 HD1 TYR 61 HD1 TYR 61 -0.346 -25.327 1.949 353 HD2 TYR 61 HD2 TYR 61 2.832 -27.986 2.677 354 HE1 TYR 61 HE1 TYR 61 -1.981 -27.012 2.759 355 HE2 TYR 61 HE2 TYR 61 1.211 -29.740 3.497 356 HH TYR 61 HH TYR 61 -2.231 -28.966 3.698 357 NH1 ARG 62 NH2 ARG 62 7.326 -21.306 7.508 358 NH2 ARG 62 NH1 ARG 62 8.729 -21.676 5.769 359 H ARG 62 HN ARG 62 2.074 -23.011 4.529 360 HA ARG 62 HA ARG 62 4.052 -24.664 5.960 361 1HB ARG 62 HB2 ARG 62 2.414 -22.219 6.855 362 2HB ARG 62 HB1 ARG 62 3.743 -22.890 7.794 363 1HG ARG 62 HG2 ARG 62 3.850 -21.695 5.042 364 2HG ARG 62 HG1 ARG 62 4.496 -20.958 6.497 365 1HD ARG 62 HD2 ARG 62 5.827 -23.298 6.652 366 2HD ARG 62 HD1 ARG 62 5.489 -23.333 4.917 367 HE ARG 62 HE ARG 62 6.495 -21.033 4.768 368 1HH1 ARG 62 HH22 ARG 62 6.345 -21.245 7.680 369 2HH1 ARG 62 HH21 ARG 62 8.014 -21.200 8.212 370 1HH2 ARG 62 HH11 ARG 62 8.708 -21.830 4.776 371 2HH2 ARG 62 HH12 ARG 62 9.571 -21.635 6.286 372 H ILE 63 HN ILE 63 2.422 -26.127 5.388 373 HA ILE 63 HA ILE 63 0.090 -26.578 6.719 374 HB ILE 63 HB ILE 63 1.010 -27.752 5.036 375 1HG1 ILE 63 HG12 ILE 63 -0.479 -29.055 6.922 376 2HG1 ILE 63 HG11 ILE 63 -0.049 -29.750 5.374 377 1HG2 ILE 63 HG21 ILE 63 3.390 -27.725 5.588 378 2HG2 ILE 63 HG23 ILE 63 3.143 -28.804 6.938 379 3HG2 ILE 63 HG22 ILE 63 2.993 -29.397 5.290 380 1HD1 ILE 63 HD2 ILE 63 1.640 -30.157 7.838 381 2HD1 ILE 63 HD1 ILE 63 0.446 -31.317 7.253 382 3HD1 ILE 63 HD3 ILE 63 1.809 -30.893 6.218 383 H ASP 64 HN ASP 64 3.090 -26.814 8.173 384 HA ASP 64 HA ASP 64 2.521 -28.263 10.540 385 1HB ASP 64 HB2 ASP 64 4.389 -26.686 11.390 386 2HB ASP 64 HB1 ASP 64 4.801 -27.540 9.903 387 NH1 ARG 65 NH2 ARG 65 1.015 -18.980 13.361 388 NH2 ARG 65 NH1 ARG 65 -1.111 -19.617 13.289 389 H ARG 65 HN ARG 65 1.245 -25.466 9.327 390 HA ARG 65 HA ARG 65 -0.110 -24.707 11.802 391 1HB ARG 65 HB2 ARG 65 1.505 -23.249 9.870 392 2HB ARG 65 HB1 ARG 65 0.181 -22.333 10.467 393 1HG ARG 65 HG2 ARG 65 1.232 -23.339 12.884 394 2HG ARG 65 HG1 ARG 65 2.665 -23.347 11.902 395 1HD ARG 65 HD2 ARG 65 2.398 -21.251 13.156 396 2HD ARG 65 HD1 ARG 65 2.414 -20.931 11.403 397 HE ARG 65 HE ARG 65 -0.217 -21.298 11.795 398 1HH1 ARG 65 HH22 ARG 65 1.941 -19.216 13.086 399 2HH1 ARG 65 HH21 ARG 65 0.814 -18.159 13.881 400 1HH2 ARG 65 HH11 ARG 65 -1.768 -20.282 12.917 401 2HH2 ARG 65 HH12 ARG 65 -1.428 -18.854 13.859 402 H VAL 66 HN VAL 66 -1.928 -23.592 11.799 403 HA VAL 66 HA VAL 66 -3.584 -23.484 9.346 404 HB VAL 66 HB VAL 66 -4.643 -23.456 12.205 405 1HG1 VAL 66 HG13 VAL 66 -5.840 -24.293 9.521 406 2HG1 VAL 66 HG12 VAL 66 -6.695 -24.374 11.053 407 3HG1 VAL 66 HG11 VAL 66 -6.287 -22.780 10.333 408 1HG2 VAL 66 HG21 VAL 66 -4.453 -25.652 10.195 409 2HG2 VAL 66 HG23 VAL 66 -3.633 -25.683 11.754 410 3HG2 VAL 66 HG22 VAL 66 -5.427 -25.654 11.673 411 NH1 ARG 67 NH2 ARG 67 -0.259 -19.626 6.465 412 NH2 ARG 67 NH1 ARG 67 0.743 -17.641 6.313 413 H ARG 67 HN ARG 67 -4.016 -21.309 8.875 414 HA ARG 67 HA ARG 67 -2.594 -19.274 10.525 415 1HB ARG 67 HB2 ARG 67 -3.084 -19.177 7.793 416 2HB ARG 67 HB1 ARG 67 -4.570 -18.417 8.350 417 1HG ARG 67 HG2 ARG 67 -3.409 -16.528 8.203 418 2HG ARG 67 HG1 ARG 67 -3.052 -16.912 9.836 419 1HD ARG 67 HD2 ARG 67 -0.924 -16.352 8.614 420 2HD ARG 67 HD1 ARG 67 -0.899 -18.051 9.075 421 HE ARG 67 HE ARG 67 -1.960 -17.502 6.360 422 1HH1 ARG 67 HH21 ARG 67 -1.057 -20.160 6.746 423 2HH1 ARG 67 HH22 ARG 67 0.491 -20.198 6.089 424 1HH2 ARG 67 HH12 ARG 67 0.670 -16.650 6.426 425 2HH2 ARG 67 HH11 ARG 67 1.569 -18.079 5.985 426 H LEU 68 HN LEU 68 -3.608 -17.990 11.987 427 HA LEU 68 HA LEU 68 -6.558 -18.253 12.178 428 1HB LEU 68 HB2 LEU 68 -4.383 -18.521 14.175 429 2HB LEU 68 HB1 LEU 68 -5.570 -17.355 14.686 430 HG LEU 68 HG LEU 68 -6.287 -20.158 13.694 431 1HD1 LEU 68 HD12 LEU 68 -5.006 -20.021 15.932 432 2HD1 LEU 68 HD11 LEU 68 -6.361 -19.116 16.551 433 3HD1 LEU 68 HD13 LEU 68 -6.604 -20.739 15.993 434 1HD2 LEU 68 HD21 LEU 68 -7.909 -17.994 15.186 435 2HD2 LEU 68 HD23 LEU 68 -8.120 -18.399 13.494 436 3HD2 LEU 68 HD22 LEU 68 -8.480 -19.589 14.714 437 H PHE 69 HN PHE 69 -6.555 -16.662 10.606 438 HA PHE 69 HA PHE 69 -6.099 -13.888 11.328 439 1HB PHE 69 HB2 PHE 69 -7.346 -15.407 8.861 440 2HB PHE 69 HB1 PHE 69 -7.729 -13.704 9.195 441 HD1 PHE 69 HD1 PHE 69 -4.637 -14.664 10.582 442 HD2 PHE 69 HD2 PHE 69 -6.620 -13.526 7.034 443 HE1 PHE 69 HE1 PHE 69 -2.820 -13.655 10.062 444 HE2 PHE 69 HE2 PHE 69 -4.546 -12.437 6.297 445 HZ PHE 69 HZ PHE 69 -2.559 -12.535 7.732 446 H VAL 70 HN VAL 70 -6.485 -13.629 13.029 447 HA VAL 70 HA VAL 70 -9.404 -13.664 13.929 448 HB VAL 70 HB VAL 70 -8.686 -13.535 16.190 449 1HG1 VAL 70 HG11 VAL 70 -8.266 -15.768 15.317 450 2HG1 VAL 70 HG13 VAL 70 -6.609 -15.317 14.908 451 3HG1 VAL 70 HG12 VAL 70 -7.176 -15.230 16.586 452 1HG2 VAL 70 HG22 VAL 70 -5.828 -12.989 15.286 453 2HG2 VAL 70 HG21 VAL 70 -6.889 -11.805 16.032 454 3HG2 VAL 70 HG23 VAL 70 -6.372 -13.213 16.948 455 H ASP 71 HN ASP 71 -9.833 -11.589 15.356 456 HA ASP 71 HA ASP 71 -8.998 -9.456 13.489 457 1HB ASP 71 HB2 ASP 71 -11.195 -8.599 13.840 458 2HB ASP 71 HB1 ASP 71 -11.393 -10.249 14.178 459 H LYS 72 HN LYS 72 -10.088 -7.844 15.433 460 HA LYS 72 HA LYS 72 -7.642 -6.922 16.708 461 1HB LYS 72 HB2 LYS 72 -10.390 -5.780 16.782 462 2HB LYS 72 HB1 LYS 72 -8.967 -4.787 17.089 463 1HG LYS 72 HG2 LYS 72 -8.327 -4.839 14.756 464 2HG LYS 72 HG1 LYS 72 -9.432 -6.112 14.343 465 1HD LYS 72 HD2 LYS 72 -10.079 -3.210 15.132 466 2HD LYS 72 HD1 LYS 72 -10.408 -3.963 13.587 467 1HE LYS 72 HE2 LYS 72 -11.849 -4.560 16.227 468 2HE LYS 72 HE1 LYS 72 -12.509 -3.779 14.810 469 1HZ LYS 72 HZ2 LYS 72 -11.347 -6.111 13.897 470 2HZ LYS 72 HZ1 LYS 72 -12.194 -6.591 15.270 471 3HZ LYS 72 HZ3 LYS 72 -13.000 -5.848 14.005 472 H LEU 73 HN LEU 73 -10.022 -8.586 17.565 473 HA LEU 73 HA LEU 73 -9.354 -8.482 20.474 474 1HB LEU 73 HB2 LEU 73 -11.540 -7.691 20.957 475 2HB LEU 73 HB1 LEU 73 -11.346 -7.191 19.280 476 HG LEU 73 HG LEU 73 -12.341 -9.511 18.714 477 1HD1 LEU 73 HD12 LEU 73 -12.705 -10.043 21.211 478 2HD1 LEU 73 HD11 LEU 73 -13.702 -8.610 21.326 479 3HD1 LEU 73 HD13 LEU 73 -14.232 -9.959 20.340 480 1HD2 LEU 73 HD21 LEU 73 -13.177 -7.256 17.982 481 2HD2 LEU 73 HD23 LEU 73 -14.492 -8.336 18.376 482 3HD2 LEU 73 HD22 LEU 73 -14.024 -7.078 19.506 483 H ASP 74 HN ASP 74 -8.242 -10.142 18.916 484 HA ASP 74 HA ASP 74 -7.913 -12.269 18.093 485 1HB ASP 74 HB2 ASP 74 -6.982 -13.074 20.076 486 2HB ASP 74 HB1 ASP 74 -7.796 -11.800 20.932 487 H ASN 75 HN ASN 75 -10.774 -11.599 17.724 488 HA ASN 75 HA ASN 75 -11.757 -14.381 17.790 489 1HB ASN 75 HB2 ASN 75 -13.034 -11.659 17.940 490 2HB ASN 75 HB1 ASN 75 -14.054 -12.996 17.431 491 1HD2 ASN 75 HD22 ASN 75 -14.111 -12.403 20.885 492 2HD2 ASN 75 HD21 ASN 75 -12.620 -11.757 20.289 493 H ILE 76 HN ILE 76 -12.343 -15.364 16.109 494 HA ILE 76 HA ILE 76 -10.937 -15.086 13.736 495 HB ILE 76 HB ILE 76 -13.074 -16.970 14.515 496 1HG1 ILE 76 HG12 ILE 76 -10.055 -16.786 14.113 497 2HG1 ILE 76 HG11 ILE 76 -10.781 -16.456 15.676 498 1HG2 ILE 76 HG21 ILE 76 -11.151 -16.854 12.061 499 2HG2 ILE 76 HG23 ILE 76 -12.161 -18.255 12.446 500 3HG2 ILE 76 HG22 ILE 76 -12.882 -16.761 11.891 501 1HD1 ILE 76 HD2 ILE 76 -11.758 -18.557 15.796 502 2HD1 ILE 76 HD1 ILE 76 -10.948 -18.990 14.279 503 3HD1 ILE 76 HD3 ILE 76 -9.999 -18.569 15.753 504 H ALA 77 HN ALA 77 -11.080 -14.216 12.174 505 HA ALA 77 HA ALA 77 -13.411 -12.699 11.281 506 1HB ALA 77 HB3 ALA 77 -11.491 -11.828 12.514 507 2HB ALA 77 HB2 ALA 77 -10.385 -12.529 11.388 508 3HB ALA 77 HB1 ALA 77 -11.373 -11.142 10.863 509 H GLN 78 HN GLN 78 -10.798 -14.617 10.214 510 HA GLN 78 HA GLN 78 -12.228 -15.187 7.593 511 1HB GLN 78 HB2 GLN 78 -10.204 -14.256 6.843 512 2HB GLN 78 HB1 GLN 78 -9.348 -14.715 8.291 513 1HG GLN 78 HG2 GLN 78 -8.477 -15.971 6.277 514 2HG GLN 78 HG1 GLN 78 -9.153 -17.093 7.421 515 1HE2 GLN 78 HE21 GLN 78 -11.022 -18.400 4.722 516 2HE2 GLN 78 HE22 GLN 78 -9.997 -18.750 6.058 517 H VAL 79 HN VAL 79 -11.980 -17.595 6.903 518 HA VAL 79 HA VAL 79 -12.253 -19.098 9.353 519 HB VAL 79 HB VAL 79 -12.217 -20.056 6.453 520 1HG1 VAL 79 HG13 VAL 79 -12.774 -21.522 9.091 521 2HG1 VAL 79 HG12 VAL 79 -12.954 -22.230 7.490 522 3HG1 VAL 79 HG11 VAL 79 -11.353 -21.868 8.103 523 1HG2 VAL 79 HG22 VAL 79 -14.099 -19.953 8.790 524 2HG2 VAL 79 HG21 VAL 79 -14.202 -18.755 7.491 525 3HG2 VAL 79 HG23 VAL 79 -14.619 -20.446 7.174 526 HA PRO 80 HA PRO 80 -7.903 -19.855 9.677 527 1HB PRO 80 HB2 PRO 80 -8.774 -22.001 11.647 528 2HB PRO 80 HB1 PRO 80 -7.662 -20.651 11.939 529 1HG PRO 80 HG2 PRO 80 -10.124 -20.342 12.961 530 2HG PRO 80 HG1 PRO 80 -9.583 -19.041 11.918 531 1HD PRO 80 HD1 PRO 80 -11.121 -21.475 10.906 532 2HD PRO 80 HD2 PRO 80 -11.751 -19.831 10.908 533 NH1 ARG 81 NH2 ARG 81 -5.643 -20.060 1.537 534 NH2 ARG 81 NH1 ARG 81 -3.724 -20.925 2.390 535 H ARG 81 HN ARG 81 -6.657 -21.137 8.430 536 HA ARG 81 HA ARG 81 -7.721 -23.649 7.408 537 1HB ARG 81 HB2 ARG 81 -7.077 -23.034 5.062 538 2HB ARG 81 HB1 ARG 81 -8.480 -22.193 5.677 539 1HG ARG 81 HG2 ARG 81 -7.231 -20.319 6.259 540 2HG ARG 81 HG1 ARG 81 -5.712 -21.123 5.953 541 1HD ARG 81 HD2 ARG 81 -7.719 -20.878 3.685 542 2HD ARG 81 HD1 ARG 81 -6.662 -19.497 4.002 543 HE ARG 81 HE ARG 81 -5.460 -22.207 3.619 544 1HH1 ARG 81 HH21 ARG 81 -6.628 -20.000 1.678 545 2HH1 ARG 81 HH22 ARG 81 -5.197 -19.616 0.764 546 1HH2 ARG 81 HH12 ARG 81 -3.361 -21.514 3.115 547 2HH2 ARG 81 HH11 ARG 81 -3.125 -20.514 1.703 548 H VAL 82 HN VAL 82 -6.091 -24.932 6.387 549 HA VAL 82 HA VAL 82 -3.529 -24.666 7.806 550 HB VAL 82 HB VAL 82 -4.204 -26.730 5.669 551 1HG1 VAL 82 HG13 VAL 82 -1.843 -26.469 6.380 552 2HG1 VAL 82 HG12 VAL 82 -2.378 -26.633 8.065 553 3HG1 VAL 82 HG11 VAL 82 -2.527 -27.992 6.931 554 1HG2 VAL 82 HG22 VAL 82 -5.859 -26.735 7.545 555 2HG2 VAL 82 HG21 VAL 82 -4.901 -28.207 7.527 556 3HG2 VAL 82 HG23 VAL 82 -4.556 -26.951 8.701 557 H GLY 83 HN GLY 83 -1.532 -24.463 6.992 558 1HA GLY 83 HA1 GLY 83 0.103 -24.446 5.147 559 2HA GLY 83 GLY 83 -1.033 -23.603 4.138 Start of MODEL 3 Raw file had 559 H/Q atoms Start of MODEL 3 1 H LEU 20 HN LEU 20 -9.459 -33.909 3.232 2 HA LEU 20 HA LEU 20 -8.757 -31.291 2.789 3 1HB LEU 20 HB2 LEU 20 -11.494 -32.618 2.686 4 2HB LEU 20 HB1 LEU 20 -11.243 -30.994 2.088 5 HG LEU 20 HG LEU 20 -9.475 -33.293 1.120 6 1HD1 LEU 20 HD11 LEU 20 -12.090 -32.255 -0.080 7 2HD1 LEU 20 HD13 LEU 20 -11.014 -33.425 -0.819 8 3HD1 LEU 20 HD12 LEU 20 -11.874 -33.836 0.650 9 1HD2 LEU 20 HD22 LEU 20 -8.757 -30.890 0.675 10 2HD2 LEU 20 HD21 LEU 20 -9.167 -31.748 -0.794 11 3HD2 LEU 20 HD23 LEU 20 -10.306 -30.612 -0.100 12 H LYS 21 HN LYS 21 -9.772 -32.349 5.647 13 HA LYS 21 HA LYS 21 -11.236 -30.023 6.703 14 1HB LYS 21 HB2 LYS 21 -11.004 -32.679 7.497 15 2HB LYS 21 HB1 LYS 21 -9.818 -31.949 8.546 16 1HG LYS 21 HG2 LYS 21 -12.742 -31.079 8.386 17 2HG LYS 21 HG1 LYS 21 -12.091 -32.172 9.589 18 1HD LYS 21 HD2 LYS 21 -10.589 -30.364 10.423 19 2HD LYS 21 HD1 LYS 21 -11.248 -29.233 9.265 20 1HE LYS 21 HE2 LYS 21 -13.582 -29.845 10.365 21 2HE LYS 21 HE1 LYS 21 -12.627 -30.569 11.656 22 1HZ LYS 21 HZ1 LYS 21 -11.682 -27.942 10.966 23 2HZ LYS 21 HZ3 LYS 21 -13.277 -27.864 11.553 24 3HZ LYS 21 HZ2 LYS 21 -12.113 -28.628 12.480 25 H THR 22 HN THR 22 -9.401 -28.925 5.513 26 HA THR 22 HA THR 22 -7.021 -28.302 7.213 27 HB THR 22 HB THR 22 -6.035 -27.282 5.087 28 HG1 THR 22 HG1 THR 22 -8.438 -28.256 3.884 29 1HG2 THR 22 HG21 THR 22 -7.246 -30.007 4.468 30 2HG2 THR 22 HG23 THR 22 -5.881 -29.271 3.646 31 3HG2 THR 22 HG22 THR 22 -5.732 -29.764 5.326 32 H GLU 23 HN GLU 23 -9.794 -27.647 7.477 33 HA GLU 23 HA GLU 23 -9.604 -24.715 7.828 34 1HB GLU 23 HB2 GLU 23 -11.893 -24.400 6.934 35 2HB GLU 23 HB1 GLU 23 -10.829 -25.084 5.737 36 1HG GLU 23 HG2 GLU 23 -11.922 -27.213 5.781 37 2HG GLU 23 HG1 GLU 23 -12.454 -27.061 7.430 38 CH2 TRP 24 CH2 TRP 24 -6.906 -27.531 10.613 39 H TRP 24 HN TRP 24 -10.777 -23.878 9.450 40 HA TRP 24 HA TRP 24 -12.450 -25.684 11.166 41 1HB TRP 24 HB2 TRP 24 -10.402 -23.632 12.282 42 2HB TRP 24 HB1 TRP 24 -11.514 -24.573 13.100 43 HD1 TRP 24 HD1 TRP 24 -11.398 -26.504 13.833 44 HE1 TRP 24 HE1 TRP 24 -9.748 -28.415 13.622 45 HE3 TRP 24 HE3 TRP 24 -8.605 -24.657 10.233 46 HZ2 TRP 24 HZ2 TRP 24 -7.388 -29.062 12.011 47 HZ3 TRP 24 HZ3 TRP 24 -6.689 -25.806 9.348 48 HH2 TRP 24 HH2 TRP 24 -6.061 -28.075 10.222 49 HA PRO 25 HA PRO 25 -14.799 -22.068 9.962 50 1HB PRO 25 HB2 PRO 25 -16.910 -23.461 8.890 51 2HB PRO 25 HB1 PRO 25 -15.359 -23.280 8.033 52 1HG PRO 25 HG2 PRO 25 -16.144 -25.683 9.708 53 2HG PRO 25 HG1 PRO 25 -15.700 -25.607 7.989 54 1HD PRO 25 HD1 PRO 25 -13.780 -26.064 9.816 55 2HD PRO 25 HD2 PRO 25 -13.453 -24.980 8.444 56 H GLU 26 HN GLU 26 -15.593 -24.977 11.703 57 HA GLU 26 HA GLU 26 -17.857 -24.192 13.172 58 1HB GLU 26 HB2 GLU 26 -17.139 -25.852 14.862 59 2HB GLU 26 HB1 GLU 26 -16.895 -26.449 13.220 60 1HG GLU 26 HG2 GLU 26 -14.492 -25.092 14.450 61 2HG GLU 26 HG1 GLU 26 -14.955 -26.603 15.146 62 H LEU 27 HN LEU 27 -14.552 -23.291 13.639 63 HA LEU 27 HA LEU 27 -15.278 -21.768 16.040 64 1HB LEU 27 HB2 LEU 27 -12.909 -22.157 16.629 65 2HB LEU 27 HB1 LEU 27 -13.791 -23.589 16.083 66 HG LEU 27 HG LEU 27 -12.686 -23.402 13.918 67 1HD1 LEU 27 HD12 LEU 27 -10.782 -21.960 15.748 68 2HD1 LEU 27 HD11 LEU 27 -10.327 -22.489 14.142 69 3HD1 LEU 27 HD13 LEU 27 -11.553 -21.217 14.378 70 1HD2 LEU 27 HD21 LEU 27 -11.316 -24.115 16.537 71 2HD2 LEU 27 HD23 LEU 27 -12.408 -25.154 15.644 72 3HD2 LEU 27 HD22 LEU 27 -10.821 -24.769 14.996 73 H VAL 28 HN VAL 28 -15.809 -20.868 13.306 74 HA VAL 28 HA VAL 28 -14.256 -18.368 13.146 75 HB VAL 28 HB VAL 28 -16.752 -19.406 11.710 76 1HG1 VAL 28 HG13 VAL 28 -15.090 -16.873 11.110 77 2HG1 VAL 28 HG12 VAL 28 -16.403 -17.480 10.120 78 3HG1 VAL 28 HG11 VAL 28 -16.731 -16.874 11.730 79 1HG2 VAL 28 HG23 VAL 28 -14.514 -20.515 11.163 80 2HG2 VAL 28 HG22 VAL 28 -15.182 -19.621 9.819 81 3HG2 VAL 28 HG21 VAL 28 -13.879 -18.931 10.770 82 H GLY 29 HN GLY 29 -14.819 -16.579 14.403 83 1HA GLY 29 HA2 GLY 29 -16.419 -15.146 15.584 84 2HA GLY 29 HA1 GLY 29 -17.554 -16.490 15.661 85 H LYS 30 HN LYS 30 -14.576 -17.658 16.269 86 HA LYS 30 HA LYS 30 -14.857 -17.491 19.212 87 1HB LYS 30 HB2 LYS 30 -13.412 -19.470 17.435 88 2HB LYS 30 HB1 LYS 30 -13.255 -19.438 19.187 89 1HG LYS 30 HG2 LYS 30 -15.930 -19.862 17.766 90 2HG LYS 30 HG1 LYS 30 -14.931 -21.173 18.370 91 1HD LYS 30 HD2 LYS 30 -14.921 -19.960 20.658 92 2HD LYS 30 HD1 LYS 30 -16.141 -18.874 20.023 93 1HE LYS 30 HE2 LYS 30 -17.230 -20.546 21.325 94 2HE LYS 30 HE1 LYS 30 -17.610 -20.860 19.634 95 1HZ LYS 30 HZ3 LYS 30 -15.203 -22.118 20.162 96 2HZ LYS 30 HZ2 LYS 30 -16.039 -22.456 21.492 97 3HZ LYS 30 HZ1 LYS 30 -16.657 -22.963 19.935 98 H SER 31 HN SER 31 -12.905 -17.322 20.495 99 HA SER 31 HA SER 31 -10.844 -15.727 19.059 100 1HB SER 31 HB2 SER 31 -10.103 -15.538 21.645 101 2HB SER 31 HB1 SER 31 -11.624 -14.761 21.209 102 HG SER 31 HG1 SER 31 -11.253 -16.878 22.826 103 H VAL 32 HN VAL 32 -9.002 -15.736 19.400 104 HA VAL 32 HA VAL 32 -8.234 -17.843 17.978 105 HB VAL 32 HB VAL 32 -7.428 -15.438 18.520 106 1HG1 VAL 32 HG11 VAL 32 -6.402 -15.861 20.755 107 2HG1 VAL 32 HG13 VAL 32 -5.249 -16.955 20.018 108 3HG1 VAL 32 HG12 VAL 32 -5.203 -15.254 19.653 109 1HG2 VAL 32 HG23 VAL 32 -6.649 -16.789 16.586 110 2HG2 VAL 32 HG22 VAL 32 -5.284 -15.902 17.234 111 3HG2 VAL 32 HG21 VAL 32 -5.462 -17.607 17.601 112 H GLU 33 HN GLU 33 -7.060 -17.569 21.387 113 HA GLU 33 HA GLU 33 -5.483 -19.930 21.159 114 1HB GLU 33 HB2 GLU 33 -6.834 -18.667 23.604 115 2HB GLU 33 HB1 GLU 33 -5.656 -19.957 23.733 116 1HG GLU 33 HG2 GLU 33 -5.170 -17.104 22.723 117 2HG GLU 33 HG1 GLU 33 -4.327 -17.936 24.008 118 H GLU 34 HN GLU 34 -8.798 -19.563 21.963 119 HA GLU 34 HA GLU 34 -9.369 -22.350 22.507 120 1HB GLU 34 HB2 GLU 34 -11.089 -20.510 22.817 121 2HB GLU 34 HB1 GLU 34 -11.302 -20.444 21.080 122 1HG GLU 34 HG2 GLU 34 -11.461 -23.243 21.524 123 2HG GLU 34 HG1 GLU 34 -12.080 -22.634 23.034 124 H ALA 35 HN ALA 35 -9.719 -20.424 19.535 125 HA ALA 35 HA ALA 35 -10.273 -22.461 17.704 126 1HB ALA 35 HB2 ALA 35 -8.414 -20.085 17.445 127 2HB ALA 35 HB1 ALA 35 -9.000 -20.972 16.046 128 3HB ALA 35 HB3 ALA 35 -10.122 -20.118 17.120 129 H LYS 36 HN LYS 36 -6.996 -21.533 18.759 130 HA LYS 36 HA LYS 36 -5.631 -23.519 17.260 131 1HB LYS 36 HB2 LYS 36 -4.882 -22.546 20.065 132 2HB LYS 36 HB1 LYS 36 -3.814 -23.432 18.996 133 1HG LYS 36 HG2 LYS 36 -3.703 -21.613 17.480 134 2HG LYS 36 HG1 LYS 36 -4.943 -20.714 18.363 135 1HD LYS 36 HD2 LYS 36 -3.559 -20.756 20.367 136 2HD LYS 36 HD1 LYS 36 -2.305 -21.675 19.572 137 1HE LYS 36 HE2 LYS 36 -1.824 -19.844 18.054 138 2HE LYS 36 HE1 LYS 36 -3.187 -18.921 18.697 139 1HZ LYS 36 HZ1 LYS 36 -1.755 -19.700 20.923 140 2HZ LYS 36 HZ3 LYS 36 -0.543 -19.139 19.836 141 3HZ LYS 36 HZ2 LYS 36 -1.914 -18.202 20.319 142 H LYS 37 HN LYS 37 -6.630 -23.464 20.503 143 HA LYS 37 HA LYS 37 -5.883 -25.953 21.261 144 1HB LYS 37 HB2 LYS 37 -6.607 -24.355 22.904 145 2HB LYS 37 HB1 LYS 37 -8.081 -24.079 21.999 146 1HG LYS 37 HG2 LYS 37 -7.736 -26.784 23.282 147 2HG LYS 37 HG1 LYS 37 -8.118 -25.419 24.312 148 1HD LYS 37 HD2 LYS 37 -10.133 -24.850 23.081 149 2HD LYS 37 HD1 LYS 37 -9.762 -25.886 21.751 150 1HE LYS 37 HE2 LYS 37 -10.422 -26.857 24.524 151 2HE LYS 37 HE1 LYS 37 -11.544 -26.799 23.172 152 1HZ LYS 37 HZ3 LYS 37 -9.188 -28.128 22.277 153 2HZ LYS 37 HZ2 LYS 37 -9.641 -28.838 23.741 154 3HZ LYS 37 HZ1 LYS 37 -10.662 -28.821 22.402 155 H VAL 38 HN VAL 38 -8.781 -25.065 19.789 156 HA VAL 38 HA VAL 38 -9.939 -27.771 19.608 157 HB VAL 38 HB VAL 38 -10.416 -25.410 17.708 158 1HG1 VAL 38 HG12 VAL 38 -11.975 -28.035 17.989 159 2HG1 VAL 38 HG11 VAL 38 -12.517 -26.695 17.016 160 3HG1 VAL 38 HG13 VAL 38 -11.052 -27.544 16.575 161 1HG2 VAL 38 HG21 VAL 38 -11.257 -24.748 19.883 162 2HG2 VAL 38 HG23 VAL 38 -12.555 -24.948 18.730 163 3HG2 VAL 38 HG22 VAL 38 -12.279 -26.174 19.971 164 H ILE 39 HN ILE 39 -8.386 -25.756 17.241 165 HA ILE 39 HA ILE 39 -8.443 -27.506 15.095 166 HB ILE 39 HB ILE 39 -6.422 -25.426 16.037 167 1HG1 ILE 39 HG12 ILE 39 -8.614 -25.425 13.961 168 2HG1 ILE 39 HG11 ILE 39 -8.837 -24.718 15.513 169 1HG2 ILE 39 HG23 ILE 39 -5.477 -27.018 14.343 170 2HG2 ILE 39 HG22 ILE 39 -6.841 -26.552 13.267 171 3HG2 ILE 39 HG21 ILE 39 -5.713 -25.359 13.760 172 1HD1 ILE 39 HD3 ILE 39 -6.770 -23.924 13.403 173 2HD1 ILE 39 HD2 ILE 39 -8.293 -23.039 13.838 174 3HD1 ILE 39 HD1 ILE 39 -6.971 -23.131 14.998 175 H LEU 40 HN LEU 40 -6.192 -27.407 17.718 176 HA LEU 40 HA LEU 40 -4.376 -29.321 16.903 177 1HB LEU 40 HB2 LEU 40 -5.464 -28.891 19.735 178 2HB LEU 40 HB1 LEU 40 -3.985 -29.682 19.263 179 HG LEU 40 HG LEU 40 -4.665 -26.837 19.199 180 1HD1 LEU 40 HD13 LEU 40 -3.700 -27.705 21.243 181 2HD1 LEU 40 HD12 LEU 40 -2.321 -28.355 20.352 182 3HD1 LEU 40 HD11 LEU 40 -2.560 -26.620 20.474 183 1HD2 LEU 40 HD23 LEU 40 -3.635 -27.170 17.015 184 2HD2 LEU 40 HD22 LEU 40 -2.579 -26.283 18.072 185 3HD2 LEU 40 HD21 LEU 40 -2.284 -27.979 17.784 186 H GLN 41 HN GLN 41 -7.578 -29.848 18.257 187 HA GLN 41 HA GLN 41 -7.276 -32.733 18.616 188 1HB GLN 41 HB2 GLN 41 -9.752 -31.044 18.107 189 2HB GLN 41 HB1 GLN 41 -9.826 -32.790 18.152 190 1HG GLN 41 HG2 GLN 41 -10.401 -32.076 20.373 191 2HG GLN 41 HG1 GLN 41 -8.775 -32.719 20.493 192 1HE2 GLN 41 HE21 GLN 41 -7.373 -29.519 21.117 193 2HE2 GLN 41 HE22 GLN 41 -6.989 -31.069 20.495 194 H ASP 42 HN ASP 42 -8.443 -30.845 16.111 195 HA ASP 42 HA ASP 42 -9.114 -32.725 14.099 196 1HB ASP 42 HB2 ASP 42 -8.341 -29.772 13.949 197 2HB ASP 42 HB1 ASP 42 -9.274 -30.633 12.733 198 H LYS 43 HN LYS 43 -6.262 -30.745 14.475 199 HA LYS 43 HA LYS 43 -4.672 -32.578 12.710 200 1HB LYS 43 HB2 LYS 43 -5.201 -29.723 12.454 201 2HB LYS 43 HB1 LYS 43 -3.513 -29.981 12.735 202 1HG LYS 43 HG2 LYS 43 -3.461 -31.657 10.871 203 2HG LYS 43 HG1 LYS 43 -5.108 -31.172 10.476 204 1HD LYS 43 HD2 LYS 43 -3.753 -29.665 9.132 205 2HD LYS 43 HD1 LYS 43 -4.162 -28.697 10.541 206 1HE LYS 43 HE2 LYS 43 -1.854 -28.364 10.153 207 2HE LYS 43 HE1 LYS 43 -1.988 -29.328 11.607 208 1HZ LYS 43 HZ3 LYS 43 -1.928 -31.018 9.277 209 2HZ LYS 43 HZ2 LYS 43 -0.589 -29.975 9.351 210 3HZ LYS 43 HZ1 LYS 43 -0.880 -30.940 10.641 211 HA PRO 44 HA PRO 44 -3.068 -32.929 17.099 212 1HB PRO 44 HB2 PRO 44 -1.505 -34.748 15.209 213 2HB PRO 44 HB1 PRO 44 -1.760 -34.947 16.954 214 1HG PRO 44 HG2 PRO 44 -3.559 -36.144 15.396 215 2HG PRO 44 HG1 PRO 44 -4.187 -35.112 16.686 216 1HD PRO 44 HD1 PRO 44 -4.030 -34.479 13.733 217 2HD PRO 44 HD2 PRO 44 -5.288 -34.034 14.918 218 H GLU 45 HN GLU 45 -0.666 -32.451 14.367 219 HA GLU 45 HA GLU 45 1.039 -31.044 16.252 220 1HB GLU 45 HB2 GLU 45 2.660 -31.265 14.371 221 2HB GLU 45 HB1 GLU 45 1.847 -32.731 14.932 222 1HG GLU 45 HG2 GLU 45 2.222 -32.488 12.379 223 2HG GLU 45 HG1 GLU 45 0.752 -33.211 12.967 224 H ALA 46 HN ALA 46 -1.510 -29.785 14.847 225 HA ALA 46 HA ALA 46 -0.562 -27.612 13.313 226 1HB ALA 46 HB1 ALA 46 -2.919 -28.270 13.439 227 2HB ALA 46 HB3 ALA 46 -3.030 -27.742 15.100 228 3HB ALA 46 HB2 ALA 46 -2.713 -26.587 13.805 229 H GLN 47 HN GLN 47 1.306 -26.774 14.295 230 HA GLN 47 HA GLN 47 1.164 -25.504 16.977 231 1HB GLN 47 HB2 GLN 47 3.572 -24.817 16.416 232 2HB GLN 47 HB1 GLN 47 3.274 -26.543 16.381 233 1HG GLN 47 HG2 GLN 47 3.343 -26.662 13.976 234 2HG GLN 47 HG1 GLN 47 3.160 -24.931 13.808 235 1HE2 GLN 47 HE21 GLN 47 6.849 -26.438 14.553 236 2HE2 GLN 47 HE22 GLN 47 5.483 -27.465 14.653 237 H ILE 48 HN ILE 48 -0.637 -24.414 16.291 238 HA ILE 48 HA ILE 48 -0.789 -22.415 14.238 239 HB ILE 48 HB ILE 48 -2.399 -23.069 16.519 240 1HG1 ILE 48 HG12 ILE 48 -2.902 -23.855 13.641 241 2HG1 ILE 48 HG11 ILE 48 -1.907 -24.832 14.661 242 1HG2 ILE 48 HG23 ILE 48 -3.106 -20.795 15.713 243 2HG2 ILE 48 HG22 ILE 48 -3.197 -21.413 14.090 244 3HG2 ILE 48 HG21 ILE 48 -4.308 -21.996 15.269 245 1HD1 ILE 48 HD2 ILE 48 -3.857 -24.885 16.267 246 2HD1 ILE 48 HD1 ILE 48 -4.760 -24.014 15.011 247 3HD1 ILE 48 HD3 ILE 48 -4.067 -25.594 14.685 248 H ILE 49 HN ILE 49 -1.023 -20.325 14.262 249 HA ILE 49 HA ILE 49 -0.069 -18.797 16.684 250 HB ILE 49 HB ILE 49 1.043 -19.091 14.130 251 1HG1 ILE 49 HG12 ILE 49 2.929 -17.859 15.193 252 2HG1 ILE 49 HG11 ILE 49 1.929 -17.556 16.596 253 1HG2 ILE 49 HG23 ILE 49 -0.201 -16.969 13.645 254 2HG2 ILE 49 HG22 ILE 49 0.492 -16.320 15.125 255 3HG2 ILE 49 HG21 ILE 49 1.533 -16.658 13.742 256 1HD1 ILE 49 HD3 ILE 49 2.745 -20.324 15.566 257 2HD1 ILE 49 HD2 ILE 49 3.431 -19.486 16.948 258 3HD1 ILE 49 HD1 ILE 49 1.775 -20.032 17.004 259 H VAL 50 HN VAL 50 -0.685 -16.717 16.887 260 HA VAL 50 HA VAL 50 -3.477 -16.108 16.187 261 HB VAL 50 HB VAL 50 -2.718 -15.764 18.498 262 1HG1 VAL 50 HG11 VAL 50 -0.710 -13.743 17.399 263 2HG1 VAL 50 HG13 VAL 50 -1.071 -14.021 19.095 264 3HG1 VAL 50 HG12 VAL 50 -0.294 -15.273 18.155 265 1HG2 VAL 50 HG21 VAL 50 -4.414 -14.109 17.551 266 2HG2 VAL 50 HG23 VAL 50 -3.410 -13.330 18.743 267 3HG2 VAL 50 HG22 VAL 50 -3.108 -13.064 17.035 268 H LEU 51 HN LEU 51 -4.023 -14.674 14.734 269 HA LEU 51 HA LEU 51 -1.936 -12.963 13.470 270 1HB LEU 51 HB2 LEU 51 -3.272 -15.418 12.439 271 2HB LEU 51 HB1 LEU 51 -3.193 -14.151 11.293 272 HG LEU 51 HG LEU 51 -0.700 -14.980 12.806 273 1HD1 LEU 51 HD11 LEU 51 -1.780 -16.303 10.243 274 2HD1 LEU 51 HD13 LEU 51 -0.191 -16.651 10.946 275 3HD1 LEU 51 HD12 LEU 51 -1.620 -17.103 11.788 276 1HD2 LEU 51 HD21 LEU 51 -1.113 -13.578 10.060 277 2HD2 LEU 51 HD23 LEU 51 -0.574 -12.877 11.525 278 3HD2 LEU 51 HD22 LEU 51 0.420 -14.064 10.726 279 HA PRO 52 HA PRO 52 -5.788 -10.549 13.685 280 1HB PRO 52 HB2 PRO 52 -4.859 -8.016 13.609 281 2HB PRO 52 HB1 PRO 52 -4.492 -9.056 14.986 282 1HG PRO 52 HG2 PRO 52 -2.719 -8.612 12.513 283 2HG PRO 52 HG1 PRO 52 -2.281 -8.346 14.197 284 1HD PRO 52 HD1 PRO 52 -1.726 -10.753 12.975 285 2HD PRO 52 HD2 PRO 52 -2.183 -10.709 14.692 286 H VAL 53 HN VAL 53 -7.094 -10.270 12.018 287 HA VAL 53 HA VAL 53 -6.779 -11.013 9.472 288 HB VAL 53 HB VAL 53 -8.602 -9.270 10.828 289 1HG1 VAL 53 HG13 VAL 53 -8.652 -10.004 7.846 290 2HG1 VAL 53 HG12 VAL 53 -10.035 -9.279 8.675 291 3HG1 VAL 53 HG11 VAL 53 -8.562 -8.352 8.447 292 1HG2 VAL 53 HG22 VAL 53 -8.494 -11.790 10.961 293 2HG2 VAL 53 HG21 VAL 53 -10.046 -11.214 10.338 294 3HG2 VAL 53 HG23 VAL 53 -8.822 -11.837 9.246 295 H GLY 54 HN GLY 54 -6.101 -10.600 7.836 296 1HA GLY 54 HA2 GLY 54 -5.589 -9.019 5.872 297 2HA GLY 54 HA1 GLY 54 -5.160 -7.784 7.055 298 H THR 55 HN THR 55 -3.544 -9.355 8.749 299 HA THR 55 HA THR 55 -0.925 -9.218 7.954 300 HB THR 55 HB THR 55 -2.530 -10.858 9.759 301 HG1 THR 55 HG1 THR 55 -2.721 -9.048 10.543 302 1HG2 THR 55 HG23 THR 55 -0.191 -11.591 9.573 303 2HG2 THR 55 HG22 THR 55 0.232 -9.922 10.062 304 3HG2 THR 55 HG21 THR 55 -0.831 -10.922 11.083 305 H ILE 56 HN ILE 56 0.184 -10.247 6.333 306 HA ILE 56 HA ILE 56 -1.122 -12.357 4.821 307 HB ILE 56 HB ILE 56 1.704 -11.194 4.658 308 1HG1 ILE 56 HG12 ILE 56 -0.889 -10.783 3.068 309 2HG1 ILE 56 HG11 ILE 56 -0.273 -9.657 4.244 310 1HG2 ILE 56 HG22 ILE 56 1.587 -13.512 3.555 311 2HG2 ILE 56 HG21 ILE 56 0.211 -12.952 2.608 312 3HG2 ILE 56 HG23 ILE 56 1.792 -12.235 2.392 313 1HD1 ILE 56 HD1 ILE 56 1.769 -9.305 2.861 314 2HD1 ILE 56 HD3 ILE 56 1.129 -10.408 1.647 315 3HD1 ILE 56 HD2 ILE 56 0.295 -8.906 1.995 316 H VAL 57 HN VAL 57 -0.448 -14.400 4.395 317 HA VAL 57 HA VAL 57 1.044 -15.811 6.536 318 HB VAL 57 HB VAL 57 -1.020 -17.534 5.974 319 1HG1 VAL 57 HG13 VAL 57 -0.022 -16.798 8.232 320 2HG1 VAL 57 HG12 VAL 57 -0.806 -15.254 8.067 321 3HG1 VAL 57 HG11 VAL 57 -1.759 -16.709 8.298 322 1HG2 VAL 57 HG23 VAL 57 -2.338 -15.788 4.702 323 2HG2 VAL 57 HG22 VAL 57 -3.266 -16.216 6.121 324 3HG2 VAL 57 HG21 VAL 57 -2.333 -14.733 6.104 325 H THR 58 HN THR 58 -0.222 -16.722 3.446 326 HA THR 58 HA THR 58 1.254 -19.114 3.339 327 HB THR 58 HB THR 58 0.161 -18.133 0.946 328 HG1 THR 58 HG1 THR 58 -2.003 -18.602 1.988 329 1HG2 THR 58 HG23 THR 58 0.657 -20.556 1.622 330 2HG2 THR 58 HG22 THR 58 -0.587 -20.427 2.858 331 3HG2 THR 58 HG21 THR 58 -1.040 -20.358 1.155 332 H MET 59 HN MET 59 3.225 -19.011 3.325 333 HA MET 59 HA MET 59 4.900 -17.977 1.070 334 1HB MET 59 HB2 MET 59 5.640 -19.434 3.643 335 2HB MET 59 HB1 MET 59 6.781 -18.753 2.495 336 1HG MET 59 HG2 MET 59 6.264 -16.528 3.048 337 2HG MET 59 HG1 MET 59 4.820 -16.968 3.917 338 1HE MET 59 HE3 MET 59 8.498 -17.202 3.569 339 2HE MET 59 HE2 MET 59 9.139 -16.914 5.163 340 3HE MET 59 HE1 MET 59 8.730 -18.565 4.669 341 H GLU 60 HN GLU 60 6.125 -20.490 2.159 342 HA GLU 60 HA GLU 60 5.340 -22.452 0.168 343 1HB GLU 60 HB2 GLU 60 7.182 -23.634 1.218 344 2HB GLU 60 HB1 GLU 60 7.653 -21.984 1.058 345 1HG GLU 60 HG2 GLU 60 8.316 -22.516 3.276 346 2HG GLU 60 HG1 GLU 60 6.792 -21.696 3.524 347 OH TYR 61 OH TYR 61 -1.641 -29.268 2.377 348 H TYR 61 HN TYR 61 5.200 -24.755 1.705 349 HA TYR 61 HA TYR 61 2.378 -24.524 2.359 350 1HB TYR 61 HB2 TYR 61 3.560 -26.458 1.002 351 2HB TYR 61 HB1 TYR 61 4.027 -27.115 2.542 352 HD1 TYR 61 HD2 TYR 61 0.896 -25.670 3.214 353 HD2 TYR 61 HD1 TYR 61 2.762 -28.829 1.165 354 HE1 TYR 61 HE2 TYR 61 -1.187 -26.913 3.309 355 HE2 TYR 61 HE1 TYR 61 0.631 -30.134 1.231 356 HH TYR 61 HH TYR 61 -1.556 -30.121 1.949 357 NH1 ARG 62 NH1 ARG 62 5.023 -19.597 5.863 358 NH2 ARG 62 NH2 ARG 62 6.819 -20.947 5.706 359 H ARG 62 HN ARG 62 2.071 -23.530 4.272 360 HA ARG 62 HA ARG 62 3.536 -24.485 6.674 361 1HB ARG 62 HB2 ARG 62 2.226 -22.027 5.949 362 2HB ARG 62 HB1 ARG 62 1.287 -22.677 7.272 363 1HG ARG 62 HG2 ARG 62 3.178 -21.237 8.149 364 2HG ARG 62 HG1 ARG 62 3.258 -22.900 8.681 365 1HD ARG 62 HD2 ARG 62 5.494 -21.953 8.027 366 2HD ARG 62 HD1 ARG 62 5.090 -23.442 7.221 367 HE ARG 62 HE ARG 62 4.360 -22.114 5.250 368 1HH1 ARG 62 HH11 ARG 62 4.036 -19.575 5.968 369 2HH1 ARG 62 HH12 ARG 62 5.545 -18.760 5.771 370 1HH2 ARG 62 HH22 ARG 62 6.993 -21.937 5.728 371 2HH2 ARG 62 HH21 ARG 62 7.538 -20.275 5.584 372 H ILE 63 HN ILE 63 2.661 -26.419 5.804 373 HA ILE 63 HA ILE 63 0.024 -27.137 6.600 374 HB ILE 63 HB ILE 63 1.265 -28.101 4.666 375 1HG1 ILE 63 HG12 ILE 63 0.875 -30.426 4.900 376 2HG1 ILE 63 HG11 ILE 63 0.743 -30.246 6.666 377 1HG2 ILE 63 HG22 ILE 63 3.051 -29.303 6.792 378 2HG2 ILE 63 HG21 ILE 63 3.144 -29.677 5.068 379 3HG2 ILE 63 HG23 ILE 63 3.508 -28.063 5.642 380 1HD1 ILE 63 HD2 ILE 63 -1.132 -28.923 4.661 381 2HD1 ILE 63 HD1 ILE 63 -1.535 -30.336 5.605 382 3HD1 ILE 63 HD3 ILE 63 -1.230 -28.808 6.395 383 H ASP 64 HN ASP 64 2.653 -26.831 8.617 384 HA ASP 64 HA ASP 64 1.547 -28.712 10.589 385 1HB ASP 64 HB2 ASP 64 3.618 -28.285 11.812 386 2HB ASP 64 HB1 ASP 64 4.108 -28.420 10.129 387 NH1 ARG 65 NH1 ARG 65 4.497 -23.683 11.964 388 NH2 ARG 65 NH2 ARG 65 4.509 -22.164 13.570 389 H ARG 65 HN ARG 65 0.898 -25.726 9.494 390 HA ARG 65 HA ARG 65 0.213 -24.557 12.110 391 1HB ARG 65 HB2 ARG 65 2.187 -23.817 11.175 392 2HB ARG 65 HB1 ARG 65 1.423 -23.656 9.599 393 1HG ARG 65 HG2 ARG 65 1.118 -21.393 10.112 394 2HG ARG 65 HG1 ARG 65 -0.057 -21.857 11.314 395 1HD ARG 65 HD2 ARG 65 1.798 -20.318 12.099 396 2HD ARG 65 HD1 ARG 65 1.621 -21.805 13.079 397 HE ARG 65 HE ARG 65 3.637 -21.640 10.820 398 1HH1 ARG 65 HH11 ARG 65 4.193 -24.033 11.080 399 2HH1 ARG 65 HH12 ARG 65 5.136 -24.279 12.455 400 1HH2 ARG 65 HH21 ARG 65 4.208 -21.285 13.910 401 2HH2 ARG 65 HH22 ARG 65 5.128 -22.759 14.088 402 H VAL 66 HN VAL 66 -1.749 -23.421 12.352 403 HA VAL 66 HA VAL 66 -3.387 -23.203 9.879 404 HB VAL 66 HB VAL 66 -4.485 -23.294 12.714 405 1HG1 VAL 66 HG13 VAL 66 -5.661 -24.058 10.052 406 2HG1 VAL 66 HG12 VAL 66 -6.491 -24.110 11.598 407 3HG1 VAL 66 HG11 VAL 66 -6.098 -22.520 10.860 408 1HG2 VAL 66 HG22 VAL 66 -4.213 -25.429 10.623 409 2HG2 VAL 66 HG21 VAL 66 -3.449 -25.483 12.227 410 3HG2 VAL 66 HG23 VAL 66 -5.238 -25.450 12.078 411 NH1 ARG 67 NH1 ARG 67 -0.378 -19.193 7.526 412 NH2 ARG 67 NH2 ARG 67 -0.924 -20.966 6.281 413 H ARG 67 HN ARG 67 -4.142 -21.123 9.570 414 HA ARG 67 HA ARG 67 -2.997 -19.053 11.405 415 1HB ARG 67 HB2 ARG 67 -3.637 -17.391 9.725 416 2HB ARG 67 HB1 ARG 67 -2.361 -18.498 9.266 417 1HG ARG 67 HG2 ARG 67 -4.803 -19.756 8.695 418 2HG ARG 67 HG1 ARG 67 -5.036 -18.124 8.157 419 1HD ARG 67 HD2 ARG 67 -3.979 -19.655 6.356 420 2HD ARG 67 HD1 ARG 67 -2.994 -18.240 6.836 421 HE ARG 67 HE ARG 67 -2.513 -20.698 8.433 422 1HH1 ARG 67 HH11 ARG 67 -0.691 -18.575 8.246 423 2HH1 ARG 67 HH12 ARG 67 0.526 -19.117 7.110 424 1HH2 ARG 67 HH22 ARG 67 -1.665 -21.587 6.019 425 2HH2 ARG 67 HH21 ARG 67 -0.048 -21.111 5.812 426 H LEU 68 HN LEU 68 -4.207 -17.996 12.743 427 HA LEU 68 HA LEU 68 -7.149 -18.313 12.441 428 1HB LEU 68 HB2 LEU 68 -5.423 -17.476 14.798 429 2HB LEU 68 HB1 LEU 68 -7.125 -17.911 14.859 430 HG LEU 68 HG LEU 68 -4.720 -19.674 14.280 431 1HD1 LEU 68 HD12 LEU 68 -6.914 -19.707 16.339 432 2HD1 LEU 68 HD11 LEU 68 -5.738 -20.988 16.212 433 3HD1 LEU 68 HD13 LEU 68 -5.226 -19.358 16.612 434 1HD2 LEU 68 HD23 LEU 68 -6.497 -20.367 12.678 435 2HD2 LEU 68 HD22 LEU 68 -6.201 -21.578 13.882 436 3HD2 LEU 68 HD21 LEU 68 -7.623 -20.545 14.012 437 H PHE 69 HN PHE 69 -7.146 -16.732 10.698 438 HA PHE 69 HA PHE 69 -6.374 -14.061 11.468 439 1HB PHE 69 HB2 PHE 69 -7.836 -15.189 8.945 440 2HB PHE 69 HB1 PHE 69 -7.746 -13.398 9.154 441 HD1 PHE 69 HD2 PHE 69 -5.873 -12.482 10.157 442 HD2 PHE 69 HD1 PHE 69 -5.713 -16.203 8.086 443 HE1 PHE 69 HE2 PHE 69 -3.571 -12.234 9.960 444 HE2 PHE 69 HE1 PHE 69 -3.454 -15.977 7.888 445 HZ PHE 69 HZ PHE 69 -2.236 -14.046 8.650 446 H VAL 70 HN VAL 70 -6.994 -13.385 12.988 447 HA VAL 70 HA VAL 70 -9.880 -13.467 13.882 448 HB VAL 70 HB VAL 70 -9.112 -12.842 16.067 449 1HG1 VAL 70 HG13 VAL 70 -9.009 -15.252 15.672 450 2HG1 VAL 70 HG12 VAL 70 -7.366 -15.084 15.063 451 3HG1 VAL 70 HG11 VAL 70 -7.718 -14.728 16.728 452 1HG2 VAL 70 HG23 VAL 70 -6.301 -12.705 14.930 453 2HG2 VAL 70 HG22 VAL 70 -7.226 -11.360 15.589 454 3HG2 VAL 70 HG21 VAL 70 -6.662 -12.648 16.635 455 H ASP 71 HN ASP 71 -10.496 -11.389 15.168 456 HA ASP 71 HA ASP 71 -9.880 -9.258 13.210 457 1HB ASP 71 HB2 ASP 71 -12.115 -8.498 13.670 458 2HB ASP 71 HB1 ASP 71 -12.201 -10.163 13.882 459 H LYS 72 HN LYS 72 -11.078 -7.628 15.050 460 HA LYS 72 HA LYS 72 -8.727 -6.527 16.399 461 1HB LYS 72 HB2 LYS 72 -10.118 -4.996 14.974 462 2HB LYS 72 HB1 LYS 72 -11.568 -5.574 15.757 463 1HG LYS 72 HG2 LYS 72 -10.663 -4.334 17.898 464 2HG LYS 72 HG1 LYS 72 -9.547 -3.551 16.789 465 1HD LYS 72 HD2 LYS 72 -11.528 -2.817 15.365 466 2HD LYS 72 HD1 LYS 72 -12.600 -3.683 16.429 467 1HE LYS 72 HE2 LYS 72 -12.838 -1.422 17.065 468 2HE LYS 72 HE1 LYS 72 -11.862 -2.168 18.322 469 1HZ LYS 72 HZ3 LYS 72 -10.146 -1.326 16.273 470 2HZ LYS 72 HZ2 LYS 72 -11.129 0.009 16.655 471 3HZ LYS 72 HZ1 LYS 72 -10.205 -0.759 17.863 472 H LEU 73 HN LEU 73 -10.794 -8.509 17.146 473 HA LEU 73 HA LEU 73 -10.612 -8.261 20.121 474 1HB LEU 73 HB2 LEU 73 -12.914 -9.039 18.385 475 2HB LEU 73 HB1 LEU 73 -13.013 -9.102 20.146 476 HG LEU 73 HG LEU 73 -12.458 -6.653 18.458 477 1HD1 LEU 73 HD13 LEU 73 -15.073 -7.620 19.730 478 2HD1 LEU 73 HD12 LEU 73 -14.882 -6.051 18.952 479 3HD1 LEU 73 HD11 LEU 73 -14.706 -7.528 18.011 480 1HD2 LEU 73 HD22 LEU 73 -13.310 -7.032 21.405 481 2HD2 LEU 73 HD21 LEU 73 -11.723 -6.495 20.882 482 3HD2 LEU 73 HD23 LEU 73 -13.117 -5.452 20.665 483 H ASP 74 HN ASP 74 -8.955 -9.772 18.442 484 HA ASP 74 HA ASP 74 -8.307 -11.819 17.763 485 1HB ASP 74 HB2 ASP 74 -7.165 -12.349 19.697 486 2HB ASP 74 HB1 ASP 74 -8.172 -11.247 20.597 487 H ASN 75 HN ASN 75 -11.290 -11.692 17.579 488 HA ASN 75 HA ASN 75 -11.917 -14.572 17.821 489 1HB ASN 75 HB2 ASN 75 -13.556 -12.060 17.435 490 2HB ASN 75 HB1 ASN 75 -14.324 -13.624 17.251 491 1HD2 ASN 75 HD21 ASN 75 -14.827 -11.797 19.884 492 2HD2 ASN 75 HD22 ASN 75 -13.125 -11.670 20.119 493 H ILE 76 HN ILE 76 -12.112 -15.756 16.122 494 HA ILE 76 HA ILE 76 -10.971 -15.226 13.662 495 HB ILE 76 HB ILE 76 -12.686 -17.431 14.717 496 1HG1 ILE 76 HG12 ILE 76 -9.796 -16.598 14.064 497 2HG1 ILE 76 HG11 ILE 76 -10.534 -16.686 15.671 498 1HG2 ILE 76 HG22 ILE 76 -12.868 -17.121 12.078 499 2HG2 ILE 76 HG21 ILE 76 -11.137 -17.162 12.029 500 3HG2 ILE 76 HG23 ILE 76 -12.081 -18.584 12.560 501 1HD1 ILE 76 HD3 ILE 76 -10.876 -18.927 15.508 502 2HD1 ILE 76 HD2 ILE 76 -10.056 -18.965 13.921 503 3HD1 ILE 76 HD1 ILE 76 -9.157 -18.508 15.409 504 H ALA 77 HN ALA 77 -11.482 -14.339 12.184 505 HA ALA 77 HA ALA 77 -14.145 -13.213 11.762 506 1HB ALA 77 HB1 ALA 77 -12.244 -12.011 12.745 507 2HB ALA 77 HB3 ALA 77 -11.210 -12.508 11.457 508 3HB ALA 77 HB2 ALA 77 -12.483 -11.287 11.141 509 H GLN 78 HN GLN 78 -11.485 -14.748 10.282 510 HA GLN 78 HA GLN 78 -13.191 -15.421 7.873 511 1HB GLN 78 HB2 GLN 78 -10.222 -14.765 8.120 512 2HB GLN 78 HB1 GLN 78 -10.815 -15.613 6.697 513 1HG GLN 78 HG2 GLN 78 -11.889 -12.890 7.690 514 2HG GLN 78 HG1 GLN 78 -10.822 -13.099 6.314 515 1HE2 GLN 78 HE21 GLN 78 -14.753 -13.854 5.821 516 2HE2 GLN 78 HE22 GLN 78 -14.182 -13.597 7.412 517 H VAL 79 HN VAL 79 -12.749 -17.693 6.930 518 HA VAL 79 HA VAL 79 -12.701 -19.398 9.193 519 HB VAL 79 HB VAL 79 -12.395 -20.208 6.246 520 1HG1 VAL 79 HG13 VAL 79 -12.940 -21.912 8.773 521 2HG1 VAL 79 HG12 VAL 79 -12.885 -22.526 7.120 522 3HG1 VAL 79 HG11 VAL 79 -11.407 -21.981 7.895 523 1HG2 VAL 79 HG21 VAL 79 -14.649 -19.289 7.194 524 2HG2 VAL 79 HG23 VAL 79 -14.732 -20.972 6.674 525 3HG2 VAL 79 HG22 VAL 79 -14.508 -20.606 8.374 526 HA PRO 80 HA PRO 80 -8.327 -19.702 9.638 527 1HB PRO 80 HB2 PRO 80 -8.769 -21.725 11.750 528 2HB PRO 80 HB1 PRO 80 -8.332 -20.024 11.921 529 1HG PRO 80 HG2 PRO 80 -10.839 -20.745 12.680 530 2HG PRO 80 HG1 PRO 80 -10.472 -19.257 11.772 531 1HD PRO 80 HD1 PRO 80 -11.219 -21.904 10.520 532 2HD PRO 80 HD2 PRO 80 -12.279 -20.501 10.538 533 NH1 ARG 81 NH2 ARG 81 -7.124 -25.058 3.812 534 NH2 ARG 81 NH1 ARG 81 -6.163 -24.045 2.066 535 H ARG 81 HN ARG 81 -6.728 -21.145 8.890 536 HA ARG 81 HA ARG 81 -7.555 -23.858 8.205 537 1HB ARG 81 HB2 ARG 81 -7.479 -23.634 5.841 538 2HB ARG 81 HB1 ARG 81 -8.700 -22.595 6.501 539 1HG ARG 81 HG2 ARG 81 -7.507 -20.741 6.099 540 2HG ARG 81 HG1 ARG 81 -5.976 -21.586 6.216 541 1HD ARG 81 HD2 ARG 81 -7.961 -21.973 3.871 542 2HD ARG 81 HD1 ARG 81 -6.477 -21.015 3.788 543 HE ARG 81 HE ARG 81 -5.237 -23.186 4.435 544 1HH1 ARG 81 HH21 ARG 81 -7.388 -25.006 4.768 545 2HH1 ARG 81 HH22 ARG 81 -7.388 -25.895 3.327 546 1HH2 ARG 81 HH12 ARG 81 -5.630 -23.255 1.779 547 2HH2 ARG 81 HH11 ARG 81 -6.440 -24.775 1.454 548 H VAL 82 HN VAL 82 -6.068 -25.082 7.088 549 HA VAL 82 HA VAL 82 -3.368 -24.647 8.106 550 HB VAL 82 HB VAL 82 -4.186 -26.902 6.295 551 1HG1 VAL 82 HG12 VAL 82 -2.329 -26.516 8.617 552 2HG1 VAL 82 HG11 VAL 82 -2.455 -28.031 7.723 553 3HG1 VAL 82 HG13 VAL 82 -1.825 -26.592 6.914 554 1HG2 VAL 82 HG21 VAL 82 -4.638 -26.740 9.272 555 2HG2 VAL 82 HG23 VAL 82 -5.863 -26.808 8.008 556 3HG2 VAL 82 HG22 VAL 82 -4.835 -28.179 8.263 557 H GLY 83 HN GLY 83 -1.458 -24.631 6.811 558 1HA GLY 83 GLY 83 -0.264 -24.810 4.791 559 2HA GLY 83 HA1 GLY 83 -1.759 -24.700 3.873 Start of MODEL 4 Raw file had 559 H/Q atoms Start of MODEL 4 1 H LEU 20 HN LEU 20 -8.288 -34.338 4.166 2 HA LEU 20 HA LEU 20 -10.079 -32.644 3.426 3 1HB LEU 20 HB2 LEU 20 -10.557 -35.110 3.595 4 2HB LEU 20 HB1 LEU 20 -10.974 -34.911 5.280 5 HG LEU 20 HG LEU 20 -12.878 -33.381 4.593 6 1HD1 LEU 20 HD13 LEU 20 -12.091 -34.253 1.768 7 2HD1 LEU 20 HD12 LEU 20 -13.529 -33.346 2.195 8 3HD1 LEU 20 HD11 LEU 20 -11.954 -32.616 2.395 9 1HD2 LEU 20 HD22 LEU 20 -12.820 -36.115 3.224 10 2HD2 LEU 20 HD21 LEU 20 -13.240 -35.847 4.907 11 3HD2 LEU 20 HD23 LEU 20 -14.269 -35.217 3.635 12 H LYS 21 HN LYS 21 -9.454 -32.994 6.790 13 HA LYS 21 HA LYS 21 -11.407 -30.808 7.475 14 1HB LYS 21 HB2 LYS 21 -11.004 -33.210 8.798 15 2HB LYS 21 HB1 LYS 21 -9.774 -32.267 9.600 16 1HG LYS 21 HG2 LYS 21 -12.783 -31.899 9.723 17 2HG LYS 21 HG1 LYS 21 -11.627 -32.161 11.010 18 1HD LYS 21 HD2 LYS 21 -10.731 -29.891 10.821 19 2HD LYS 21 HD1 LYS 21 -11.763 -29.534 9.446 20 1HE LYS 21 HE2 LYS 21 -13.752 -30.219 11.087 21 2HE LYS 21 HE1 LYS 21 -12.561 -29.929 12.344 22 1HZ LYS 21 HZ1 LYS 21 -12.358 -27.784 10.564 23 2HZ LYS 21 HZ3 LYS 21 -13.997 -28.008 10.799 24 3HZ LYS 21 HZ2 LYS 21 -13.059 -27.693 12.114 25 H THR 22 HN THR 22 -9.259 -30.060 5.959 26 HA THR 22 HA THR 22 -7.214 -29.026 7.908 27 HB THR 22 HB THR 22 -5.998 -28.290 5.660 28 HG1 THR 22 HG1 THR 22 -7.096 -30.203 4.250 29 1HG2 THR 22 HG21 THR 22 -6.642 -31.266 6.051 30 2HG2 THR 22 HG23 THR 22 -5.233 -30.631 5.205 31 3HG2 THR 22 HG22 THR 22 -5.384 -30.428 6.942 32 H GLU 23 HN GLU 23 -9.849 -28.091 7.717 33 HA GLU 23 HA GLU 23 -9.352 -25.182 7.705 34 1HB GLU 23 HB2 GLU 23 -11.416 -24.685 6.472 35 2HB GLU 23 HB1 GLU 23 -10.315 -25.652 5.538 36 1HG GLU 23 HG2 GLU 23 -11.747 -27.571 5.547 37 2HG GLU 23 HG1 GLU 23 -12.521 -27.148 7.057 38 CH2 TRP 24 CH2 TRP 24 -7.147 -28.013 10.988 39 H TRP 24 HN TRP 24 -10.583 -24.061 9.210 40 HA TRP 24 HA TRP 24 -12.565 -25.692 10.808 41 1HB TRP 24 HB2 TRP 24 -10.305 -23.933 11.981 42 2HB TRP 24 HB1 TRP 24 -11.556 -24.584 12.834 43 HD1 TRP 24 HD1 TRP 24 -11.899 -26.575 13.565 44 HE1 TRP 24 HE1 TRP 24 -10.276 -28.666 13.637 45 HE3 TRP 24 HE3 TRP 24 -8.607 -25.077 10.280 46 HZ2 TRP 24 HZ2 TRP 24 -7.844 -29.444 12.366 47 HZ3 TRP 24 HZ3 TRP 24 -6.669 -26.367 9.670 48 HH2 TRP 24 HH2 TRP 24 -6.307 -28.642 10.750 49 HA PRO 25 HA PRO 25 -14.463 -21.961 9.371 50 1HB PRO 25 HB2 PRO 25 -16.424 -23.126 7.876 51 2HB PRO 25 HB1 PRO 25 -14.745 -23.128 7.299 52 1HG PRO 25 HG2 PRO 25 -16.044 -25.397 8.875 53 2HG PRO 25 HG1 PRO 25 -15.363 -25.457 7.246 54 1HD PRO 25 HD1 PRO 25 -13.777 -26.026 9.325 55 2HD PRO 25 HD2 PRO 25 -13.154 -25.011 8.001 56 H GLU 26 HN GLU 26 -15.796 -24.911 10.805 57 HA GLU 26 HA GLU 26 -18.180 -23.601 11.730 58 1HB GLU 26 HB2 GLU 26 -18.571 -25.698 12.886 59 2HB GLU 26 HB1 GLU 26 -17.829 -26.094 11.345 60 1HG GLU 26 HG2 GLU 26 -16.240 -25.804 13.935 61 2HG GLU 26 HG1 GLU 26 -16.778 -27.341 13.291 62 H LEU 27 HN LEU 27 -14.956 -23.328 12.755 63 HA LEU 27 HA LEU 27 -15.897 -22.394 15.373 64 1HB LEU 27 HB2 LEU 27 -13.695 -23.154 16.233 65 2HB LEU 27 HB1 LEU 27 -14.132 -24.267 14.941 66 HG LEU 27 HG LEU 27 -12.774 -23.390 13.454 67 1HD1 LEU 27 HD12 LEU 27 -11.699 -21.422 15.455 68 2HD1 LEU 27 HD11 LEU 27 -10.897 -21.902 13.955 69 3HD1 LEU 27 HD13 LEU 27 -12.421 -21.073 13.882 70 1HD2 LEU 27 HD23 LEU 27 -11.479 -23.943 16.200 71 2HD2 LEU 27 HD22 LEU 27 -11.833 -25.138 14.987 72 3HD2 LEU 27 HD21 LEU 27 -10.527 -23.977 14.695 73 H VAL 28 HN VAL 28 -15.717 -20.975 12.634 74 HA VAL 28 HA VAL 28 -13.982 -18.704 13.126 75 HB VAL 28 HB VAL 28 -16.395 -19.232 11.319 76 1HG1 VAL 28 HG12 VAL 28 -14.621 -16.725 11.251 77 2HG1 VAL 28 HG11 VAL 28 -15.851 -17.146 10.088 78 3HG1 VAL 28 HG13 VAL 28 -16.310 -16.741 11.727 79 1HG2 VAL 28 HG21 VAL 28 -13.425 -18.827 10.764 80 2HG2 VAL 28 HG23 VAL 28 -14.232 -20.380 10.693 81 3HG2 VAL 28 HG22 VAL 28 -14.679 -19.086 9.589 82 H GLY 29 HN GLY 29 -14.914 -16.424 13.735 83 1HA GLY 29 HA2 GLY 29 -16.513 -15.120 14.991 84 2HA GLY 29 HA1 GLY 29 -17.486 -16.558 15.231 85 H LYS 30 HN LYS 30 -14.791 -17.759 16.107 86 HA LYS 30 HA LYS 30 -14.932 -16.995 18.969 87 1HB LYS 30 HB2 LYS 30 -13.938 -19.427 17.505 88 2HB LYS 30 HB1 LYS 30 -13.734 -19.259 19.236 89 1HG LYS 30 HG2 LYS 30 -15.827 -19.946 19.698 90 2HG LYS 30 HG1 LYS 30 -16.547 -18.722 18.669 91 1HD LYS 30 HD2 LYS 30 -17.319 -20.845 17.834 92 2HD LYS 30 HD1 LYS 30 -16.107 -20.270 16.716 93 1HE LYS 30 HE2 LYS 30 -15.701 -22.686 17.188 94 2HE LYS 30 HE1 LYS 30 -14.425 -21.655 17.842 95 1HZ LYS 30 HZ1 LYS 30 -16.068 -21.757 19.903 96 2HZ LYS 30 HZ3 LYS 30 -16.297 -23.354 19.258 97 3HZ LYS 30 HZ2 LYS 30 -14.791 -22.687 19.731 98 H SER 31 HN SER 31 -12.801 -17.223 20.216 99 HA SER 31 HA SER 31 -10.608 -15.919 18.703 100 1HB SER 31 HB2 SER 31 -9.838 -15.911 21.311 101 2HB SER 31 HB1 SER 31 -11.167 -14.838 20.869 102 HG SER 31 HG1 SER 31 -11.340 -16.825 22.580 103 H VAL 32 HN VAL 32 -8.752 -16.014 18.953 104 HA VAL 32 HA VAL 32 -8.139 -18.224 17.619 105 HB VAL 32 HB VAL 32 -7.157 -15.872 18.046 106 1HG1 VAL 32 HG11 VAL 32 -6.255 -16.165 20.343 107 2HG1 VAL 32 HG13 VAL 32 -5.138 -17.413 19.816 108 3HG1 VAL 32 HG12 VAL 32 -4.931 -15.768 19.282 109 1HG2 VAL 32 HG22 VAL 32 -5.158 -18.151 17.282 110 2HG2 VAL 32 HG21 VAL 32 -6.184 -17.280 16.158 111 3HG2 VAL 32 HG23 VAL 32 -4.861 -16.461 16.954 112 H GLU 33 HN GLU 33 -7.042 -17.791 21.066 113 HA GLU 33 HA GLU 33 -5.775 -20.329 21.242 114 1HB GLU 33 HB2 GLU 33 -7.222 -18.636 23.322 115 2HB GLU 33 HB1 GLU 33 -6.396 -20.113 23.782 116 1HG GLU 33 HG2 GLU 33 -5.093 -17.611 22.551 117 2HG GLU 33 HG1 GLU 33 -4.801 -18.280 24.142 118 H GLU 34 HN GLU 34 -9.051 -19.613 21.513 119 HA GLU 34 HA GLU 34 -9.909 -22.269 22.364 120 1HB GLU 34 HB2 GLU 34 -11.078 -19.990 22.552 121 2HB GLU 34 HB1 GLU 34 -11.558 -20.202 20.887 122 1HG GLU 34 HG2 GLU 34 -12.128 -22.573 22.683 123 2HG GLU 34 HG1 GLU 34 -13.024 -21.114 23.046 124 H ALA 35 HN ALA 35 -9.935 -20.546 19.236 125 HA ALA 35 HA ALA 35 -10.605 -22.619 17.468 126 1HB ALA 35 HB1 ALA 35 -8.320 -20.591 17.056 127 2HB ALA 35 HB3 ALA 35 -9.117 -21.478 15.761 128 3HB ALA 35 HB2 ALA 35 -10.016 -20.318 16.730 129 H LYS 36 HN LYS 36 -7.450 -21.819 18.768 130 HA LYS 36 HA LYS 36 -5.969 -23.865 17.597 131 1HB LYS 36 HB2 LYS 36 -5.682 -22.304 20.199 132 2HB LYS 36 HB1 LYS 36 -4.425 -23.336 19.566 133 1HG LYS 36 HG2 LYS 36 -4.314 -21.982 17.478 134 2HG LYS 36 HG1 LYS 36 -5.711 -21.096 17.923 135 1HD LYS 36 HD2 LYS 36 -3.592 -19.785 18.283 136 2HD LYS 36 HD1 LYS 36 -4.607 -19.869 19.680 137 1HE LYS 36 HE2 LYS 36 -2.088 -20.192 20.067 138 2HE LYS 36 HE1 LYS 36 -3.156 -21.370 20.815 139 1HZ LYS 36 HZ3 LYS 36 -2.770 -22.286 18.276 140 2HZ LYS 36 HZ2 LYS 36 -1.224 -21.759 18.692 141 3HZ LYS 36 HZ1 LYS 36 -2.021 -22.918 19.659 142 H LYS 37 HN LYS 37 -7.465 -23.636 20.662 143 HA LYS 37 HA LYS 37 -6.870 -26.111 21.627 144 1HB LYS 37 HB2 LYS 37 -8.005 -24.409 23.000 145 2HB LYS 37 HB1 LYS 37 -9.446 -24.534 22.020 146 1HG LYS 37 HG2 LYS 37 -8.459 -27.041 23.337 147 2HG LYS 37 HG1 LYS 37 -9.232 -25.846 24.352 148 1HD LYS 37 HD2 LYS 37 -11.308 -25.976 23.210 149 2HD LYS 37 HD1 LYS 37 -10.678 -26.694 21.766 150 1HE LYS 37 HE2 LYS 37 -10.787 -28.033 24.501 151 2HE LYS 37 HE1 LYS 37 -11.927 -28.321 23.199 152 1HZ LYS 37 HZ1 LYS 37 -9.375 -28.632 22.061 153 2HZ LYS 37 HZ3 LYS 37 -9.340 -29.484 23.516 154 3HZ LYS 37 HZ2 LYS 37 -10.479 -29.884 22.413 155 H VAL 38 HN VAL 38 -9.475 -25.223 19.667 156 HA VAL 38 HA VAL 38 -10.808 -27.776 19.299 157 HB VAL 38 HB VAL 38 -10.707 -25.368 17.433 158 1HG1 VAL 38 HG13 VAL 38 -12.668 -27.698 17.523 159 2HG1 VAL 38 HG12 VAL 38 -12.823 -26.301 16.480 160 3HG1 VAL 38 HG11 VAL 38 -11.491 -27.409 16.252 161 1HG2 VAL 38 HG22 VAL 38 -11.718 -24.798 19.648 162 2HG2 VAL 38 HG21 VAL 38 -12.805 -24.671 18.289 163 3HG2 VAL 38 HG23 VAL 38 -12.925 -26.043 19.401 164 H ILE 39 HN ILE 39 -8.596 -26.034 17.232 165 HA ILE 39 HA ILE 39 -8.474 -27.929 15.134 166 HB ILE 39 HB ILE 39 -6.580 -25.743 16.112 167 1HG1 ILE 39 HG12 ILE 39 -8.813 -25.891 14.057 168 2HG1 ILE 39 HG11 ILE 39 -8.975 -25.073 15.554 169 1HG2 ILE 39 HG21 ILE 39 -5.621 -27.390 14.412 170 2HG2 ILE 39 HG23 ILE 39 -6.993 -26.864 13.336 171 3HG2 ILE 39 HG22 ILE 39 -5.850 -25.708 13.914 172 1HD1 ILE 39 HD1 ILE 39 -6.995 -24.382 13.337 173 2HD1 ILE 39 HD3 ILE 39 -8.566 -23.559 13.780 174 3HD1 ILE 39 HD2 ILE 39 -7.165 -23.473 14.863 175 H LEU 40 HN LEU 40 -6.174 -27.328 17.819 176 HA LEU 40 HA LEU 40 -4.646 -29.618 17.452 177 1HB LEU 40 HB2 LEU 40 -5.576 -27.915 19.801 178 2HB LEU 40 HB1 LEU 40 -4.588 -29.305 20.098 179 HG LEU 40 HG LEU 40 -3.382 -28.036 17.937 180 1HD1 LEU 40 HD13 LEU 40 -4.254 -25.878 19.773 181 2HD1 LEU 40 HD12 LEU 40 -2.933 -25.751 18.607 182 3HD1 LEU 40 HD11 LEU 40 -4.549 -26.088 18.037 183 1HD2 LEU 40 HD22 LEU 40 -2.193 -29.059 19.897 184 2HD2 LEU 40 HD21 LEU 40 -1.587 -27.446 19.604 185 3HD2 LEU 40 HD23 LEU 40 -2.728 -27.728 20.911 186 H GLN 41 HN GLN 41 -7.928 -29.326 18.592 187 HA GLN 41 HA GLN 41 -8.042 -31.982 19.764 188 1HB GLN 41 HB2 GLN 41 -9.768 -30.079 20.071 189 2HB GLN 41 HB1 GLN 41 -10.442 -30.569 18.522 190 1HG GLN 41 HG2 GLN 41 -11.729 -31.788 20.173 191 2HG GLN 41 HG1 GLN 41 -10.661 -32.942 19.399 192 1HE2 GLN 41 HE22 GLN 41 -8.963 -33.640 22.335 193 2HE2 GLN 41 HE21 GLN 41 -9.174 -34.008 20.682 194 H ASP 42 HN ASP 42 -8.134 -30.781 16.647 195 HA ASP 42 HA ASP 42 -9.154 -33.259 15.347 196 1HB ASP 42 HB2 ASP 42 -10.026 -30.986 14.778 197 2HB ASP 42 HB1 ASP 42 -8.441 -30.508 14.214 198 H LYS 43 HN LYS 43 -6.379 -31.157 15.049 199 HA LYS 43 HA LYS 43 -4.733 -33.449 13.969 200 1HB LYS 43 HB2 LYS 43 -5.220 -31.594 12.333 201 2HB LYS 43 HB1 LYS 43 -4.467 -30.446 13.418 202 1HG LYS 43 HG2 LYS 43 -2.264 -31.575 13.167 203 2HG LYS 43 HG1 LYS 43 -2.979 -32.853 12.204 204 1HD LYS 43 HD2 LYS 43 -2.156 -31.491 10.475 205 2HD LYS 43 HD1 LYS 43 -3.755 -30.834 10.628 206 1HE LYS 43 HE2 LYS 43 -2.570 -28.846 10.688 207 2HE LYS 43 HE1 LYS 43 -2.569 -29.216 12.401 208 1HZ LYS 43 HZ2 LYS 43 -0.391 -30.582 11.270 209 2HZ LYS 43 HZ1 LYS 43 -0.317 -28.970 10.690 210 3HZ LYS 43 HZ3 LYS 43 -0.288 -29.370 12.335 211 HA PRO 44 HA PRO 44 -3.605 -32.547 18.457 212 1HB PRO 44 HB2 PRO 44 -2.008 -34.900 17.363 213 2HB PRO 44 HB1 PRO 44 -2.453 -34.588 19.051 214 1HG PRO 44 HG2 PRO 44 -4.127 -36.131 17.643 215 2HG PRO 44 HG1 PRO 44 -4.839 -34.804 18.563 216 1HD PRO 44 HD1 PRO 44 -4.385 -34.971 15.573 217 2HD PRO 44 HD2 PRO 44 -5.683 -34.165 16.479 218 H GLU 45 HN GLU 45 -1.292 -32.962 15.881 219 HA GLU 45 HA GLU 45 0.860 -31.544 17.160 220 1HB GLU 45 HB2 GLU 45 1.979 -32.156 14.983 221 2HB GLU 45 HB1 GLU 45 1.155 -33.500 15.767 222 1HG GLU 45 HG2 GLU 45 0.376 -33.811 13.548 223 2HG GLU 45 HG1 GLU 45 -0.900 -32.783 14.134 224 H ALA 46 HN ALA 46 -1.808 -30.143 15.780 225 HA ALA 46 HA ALA 46 -0.803 -28.148 14.092 226 1HB ALA 46 HB3 ALA 46 -3.186 -28.756 14.394 227 2HB ALA 46 HB2 ALA 46 -3.177 -28.080 15.993 228 3HB ALA 46 HB1 ALA 46 -2.984 -27.035 14.613 229 H GLN 47 HN GLN 47 1.070 -27.383 14.841 230 HA GLN 47 HA GLN 47 1.484 -25.864 17.311 231 1HB GLN 47 HB2 GLN 47 3.131 -26.212 14.740 232 2HB GLN 47 HB1 GLN 47 3.776 -25.501 16.202 233 1HG GLN 47 HG2 GLN 47 3.974 -27.575 17.287 234 2HG GLN 47 HG1 GLN 47 2.551 -28.250 16.555 235 1HE2 GLN 47 HE21 GLN 47 4.413 -29.763 13.976 236 2HE2 GLN 47 HE22 GLN 47 2.866 -29.536 14.677 237 H ILE 48 HN ILE 48 -0.549 -24.841 16.541 238 HA ILE 48 HA ILE 48 -0.757 -22.926 14.388 239 HB ILE 48 HB ILE 48 -2.371 -23.271 16.715 240 1HG1 ILE 48 HG12 ILE 48 -2.966 -24.281 13.953 241 2HG1 ILE 48 HG11 ILE 48 -2.148 -25.240 15.158 242 1HG2 ILE 48 HG21 ILE 48 -2.970 -21.718 14.133 243 2HG2 ILE 48 HG23 ILE 48 -4.195 -22.055 15.338 244 3HG2 ILE 48 HG22 ILE 48 -2.859 -20.999 15.717 245 1HD1 ILE 48 HD1 ILE 48 -4.225 -24.757 16.565 246 2HD1 ILE 48 HD3 ILE 48 -4.889 -24.015 15.086 247 3HD1 ILE 48 HD2 ILE 48 -4.394 -25.699 15.107 248 H ILE 49 HN ILE 49 -0.622 -20.772 14.240 249 HA ILE 49 HA ILE 49 0.194 -19.246 16.675 250 HB ILE 49 HB ILE 49 0.908 -19.056 13.891 251 1HG1 ILE 49 HG12 ILE 49 2.145 -20.789 15.004 252 2HG1 ILE 49 HG11 ILE 49 3.234 -19.470 14.632 253 1HG2 ILE 49 HG21 ILE 49 1.854 -17.095 16.036 254 2HG2 ILE 49 HG23 ILE 49 2.578 -17.211 14.456 255 3HG2 ILE 49 HG22 ILE 49 0.931 -16.658 14.601 256 1HD1 ILE 49 HD3 ILE 49 3.027 -18.625 16.952 257 2HD1 ILE 49 HD2 ILE 49 1.951 -19.963 17.353 258 3HD1 ILE 49 HD1 ILE 49 3.621 -20.274 16.922 259 H VAL 50 HN VAL 50 -0.033 -17.025 16.366 260 HA VAL 50 HA VAL 50 -2.816 -16.151 15.847 261 HB VAL 50 HB VAL 50 -0.678 -14.612 17.353 262 1HG1 VAL 50 HG12 VAL 50 -3.732 -14.422 17.363 263 2HG1 VAL 50 HG11 VAL 50 -2.645 -13.450 18.330 264 3HG1 VAL 50 HG13 VAL 50 -2.625 -13.299 16.590 265 1HG2 VAL 50 HG22 VAL 50 -0.935 -16.764 18.540 266 2HG2 VAL 50 HG21 VAL 50 -1.618 -15.441 19.468 267 3HG2 VAL 50 HG23 VAL 50 -2.674 -16.525 18.587 268 H LEU 51 HN LEU 51 -3.044 -15.153 13.965 269 HA LEU 51 HA LEU 51 -0.976 -13.239 12.995 270 1HB LEU 51 HB2 LEU 51 -2.646 -15.348 11.611 271 2HB LEU 51 HB1 LEU 51 -2.146 -13.939 10.746 272 HG LEU 51 HG LEU 51 -0.046 -15.537 12.206 273 1HD1 LEU 51 HD12 LEU 51 -1.333 -17.102 10.653 274 2HD1 LEU 51 HD11 LEU 51 -1.041 -15.961 9.347 275 3HD1 LEU 51 HD13 LEU 51 0.298 -16.828 10.113 276 1HD2 LEU 51 HD21 LEU 51 -0.051 -13.614 9.748 277 2HD2 LEU 51 HD23 LEU 51 0.563 -13.275 11.317 278 3HD2 LEU 51 HD22 LEU 51 1.347 -14.485 10.343 279 HA PRO 52 HA PRO 52 -4.859 -10.995 14.066 280 1HB PRO 52 HB2 PRO 52 -2.826 -8.766 13.814 281 2HB PRO 52 HB1 PRO 52 -4.128 -8.958 14.998 282 1HG PRO 52 HG2 PRO 52 -1.665 -9.629 15.842 283 2HG PRO 52 HG1 PRO 52 -2.953 -10.804 16.134 284 1HD PRO 52 HD1 PRO 52 -0.984 -10.769 13.785 285 2HD PRO 52 HD2 PRO 52 -1.328 -12.108 14.911 286 H VAL 53 HN VAL 53 -6.243 -10.548 12.478 287 HA VAL 53 HA VAL 53 -5.945 -10.708 9.776 288 HB VAL 53 HB VAL 53 -7.873 -9.488 11.476 289 1HG1 VAL 53 HG13 VAL 53 -7.812 -9.060 8.458 290 2HG1 VAL 53 HG12 VAL 53 -9.236 -8.747 9.475 291 3HG1 VAL 53 HG11 VAL 53 -7.784 -7.767 9.649 292 1HG2 VAL 53 HG23 VAL 53 -7.775 -11.901 10.645 293 2HG2 VAL 53 HG22 VAL 53 -9.259 -11.132 10.082 294 3HG2 VAL 53 HG21 VAL 53 -7.865 -11.291 9.014 295 H GLY 54 HN GLY 54 -5.206 -9.837 8.368 296 1HA GLY 54 HA2 GLY 54 -4.461 -7.691 7.097 297 2HA GLY 54 HA1 GLY 54 -4.339 -6.876 8.648 298 H THR 55 HN THR 55 -2.761 -9.349 9.708 299 HA THR 55 HA THR 55 -0.011 -8.753 9.172 300 HB THR 55 HB THR 55 -1.607 -10.899 10.544 301 HG1 THR 55 HG1 THR 55 -1.852 -9.397 11.823 302 1HG2 THR 55 HG22 THR 55 1.191 -10.195 10.730 303 2HG2 THR 55 HG21 THR 55 0.188 -11.335 11.678 304 3HG2 THR 55 HG23 THR 55 0.391 -11.595 9.935 305 H ILE 56 HN ILE 56 -0.801 -8.649 6.724 306 HA ILE 56 HA ILE 56 -1.736 -10.808 5.268 307 HB ILE 56 HB ILE 56 0.135 -8.640 4.284 308 1HG1 ILE 56 HG12 ILE 56 -2.031 -7.843 5.233 309 2HG1 ILE 56 HG11 ILE 56 -1.828 -7.443 3.550 310 1HG2 ILE 56 HG22 ILE 56 -1.630 -10.589 2.692 311 2HG2 ILE 56 HG21 ILE 56 -0.806 -9.205 1.999 312 3HG2 ILE 56 HG23 ILE 56 0.116 -10.537 2.657 313 1HD1 ILE 56 HD1 ILE 56 -3.553 -9.720 4.665 314 2HD1 ILE 56 HD3 ILE 56 -4.141 -8.201 4.014 315 3HD1 ILE 56 HD2 ILE 56 -3.365 -9.357 2.952 316 H VAL 57 HN VAL 57 -1.131 -12.590 5.154 317 HA VAL 57 HA VAL 57 1.733 -13.331 4.650 318 HB VAL 57 HB VAL 57 1.048 -15.674 5.150 319 1HG1 VAL 57 HG13 VAL 57 0.325 -13.681 7.299 320 2HG1 VAL 57 HG12 VAL 57 0.563 -15.397 7.611 321 3HG1 VAL 57 HG11 VAL 57 1.869 -14.413 6.991 322 1HG2 VAL 57 HG21 VAL 57 -1.759 -14.541 5.558 323 2HG2 VAL 57 HG23 VAL 57 -0.978 -15.545 4.247 324 3HG2 VAL 57 HG22 VAL 57 -1.359 -16.187 5.869 325 H THR 58 HN THR 58 1.864 -15.104 3.241 326 HA THR 58 HA THR 58 0.865 -14.446 0.593 327 HB THR 58 HB THR 58 3.091 -16.143 0.803 328 HG1 THR 58 HG1 THR 58 3.966 -13.859 1.943 329 1HG2 THR 58 HG21 THR 58 2.960 -13.108 0.250 330 2HG2 THR 58 HG23 THR 58 4.303 -14.139 -0.230 331 3HG2 THR 58 HG22 THR 58 2.744 -14.304 -1.013 332 H MET 59 HN MET 59 1.357 -16.610 -0.846 333 HA MET 59 HA MET 59 -0.461 -18.593 0.374 334 1HB MET 59 HB2 MET 59 -0.774 -17.633 -2.035 335 2HB MET 59 HB1 MET 59 0.694 -18.470 -2.510 336 1HG MET 59 HG2 MET 59 -1.203 -19.837 -3.182 337 2HG MET 59 HG1 MET 59 -0.412 -20.649 -1.868 338 1HE MET 59 HE1 MET 59 -3.452 -19.461 -3.431 339 2HE MET 59 HE3 MET 59 -4.680 -19.336 -2.199 340 3HE MET 59 HE2 MET 59 -3.501 -18.040 -2.367 341 H GLU 60 HN GLU 60 2.286 -18.173 1.167 342 HA GLU 60 HA GLU 60 3.617 -20.709 0.641 343 1HB GLU 60 HB2 GLU 60 5.256 -19.737 2.170 344 2HB GLU 60 HB1 GLU 60 4.948 -18.664 0.849 345 1HG GLU 60 HG2 GLU 60 5.271 -17.643 3.239 346 2HG GLU 60 HG1 GLU 60 4.000 -17.006 2.288 347 OH TYR 61 OH TYR 61 -1.855 -23.002 8.069 348 H TYR 61 HN TYR 61 4.158 -22.178 2.849 349 HA TYR 61 HA TYR 61 2.114 -21.439 4.783 350 1HB TYR 61 HB2 TYR 61 1.141 -22.924 2.791 351 2HB TYR 61 HB1 TYR 61 1.975 -24.269 3.600 352 HD1 TYR 61 HD2 TYR 61 -0.276 -21.424 4.116 353 HD2 TYR 61 HD1 TYR 61 1.335 -24.972 5.627 354 HE1 TYR 61 HE2 TYR 61 -1.822 -21.282 6.060 355 HE2 TYR 61 HE1 TYR 61 -0.043 -24.858 7.505 356 HH TYR 61 HH TYR 61 -1.447 -23.616 8.699 357 NH1 ARG 62 NH2 ARG 62 6.458 -21.793 5.612 358 NH2 ARG 62 NH1 ARG 62 6.269 -19.669 4.958 359 H ARG 62 HN ARG 62 1.930 -22.395 6.659 360 HA ARG 62 HA ARG 62 4.367 -23.717 7.762 361 1HB ARG 62 HB2 ARG 62 2.486 -22.287 9.581 362 2HB ARG 62 HB1 ARG 62 4.229 -22.571 9.642 363 1HG ARG 62 HG2 ARG 62 3.017 -20.811 7.619 364 2HG ARG 62 HG1 ARG 62 3.472 -20.171 9.189 365 1HD ARG 62 HD2 ARG 62 5.681 -20.106 8.491 366 2HD ARG 62 HD1 ARG 62 5.587 -21.810 8.012 367 HE ARG 62 HE ARG 62 4.257 -19.923 6.202 368 1HH1 ARG 62 HH22 ARG 62 6.065 -22.491 6.216 369 2HH1 ARG 62 HH21 ARG 62 7.196 -21.993 4.984 370 1HH2 ARG 62 HH11 ARG 62 5.726 -18.827 5.044 371 2HH2 ARG 62 HH12 ARG 62 7.032 -19.748 4.324 372 H ILE 63 HN ILE 63 2.892 -25.345 6.710 373 HA ILE 63 HA ILE 63 0.395 -26.496 7.648 374 HB ILE 63 HB ILE 63 1.783 -26.860 5.864 375 1HG1 ILE 63 HG12 ILE 63 1.369 -29.540 5.971 376 2HG1 ILE 63 HG11 ILE 63 0.520 -29.017 7.436 377 1HG2 ILE 63 HG22 ILE 63 3.954 -27.239 7.037 378 2HG2 ILE 63 HG21 ILE 63 3.319 -28.668 7.842 379 3HG2 ILE 63 HG23 ILE 63 3.624 -28.708 6.122 380 1HD1 ILE 63 HD3 ILE 63 -0.582 -27.258 6.198 381 2HD1 ILE 63 HD2 ILE 63 0.132 -27.827 4.699 382 3HD1 ILE 63 HD1 ILE 63 -1.036 -28.845 5.539 383 H ASP 64 HN ASP 64 3.309 -26.667 9.255 384 HA ASP 64 HA ASP 64 2.758 -28.601 11.241 385 1HB ASP 64 HB2 ASP 64 4.403 -27.024 12.541 386 2HB ASP 64 HB1 ASP 64 4.980 -27.605 10.990 387 NH1 ARG 65 NH2 ARG 65 4.212 -22.120 14.290 388 NH2 ARG 65 NH1 ARG 65 5.271 -21.072 12.575 389 H ARG 65 HN ARG 65 1.476 -25.696 10.520 390 HA ARG 65 HA ARG 65 0.014 -25.098 13.013 391 1HB ARG 65 HB2 ARG 65 2.118 -24.027 12.754 392 2HB ARG 65 HB1 ARG 65 1.675 -23.540 11.158 393 1HG ARG 65 HG2 ARG 65 -0.047 -21.918 12.283 394 2HG ARG 65 HG1 ARG 65 0.955 -22.187 13.707 395 1HD ARG 65 HD2 ARG 65 1.909 -21.028 11.081 396 2HD ARG 65 HD1 ARG 65 2.098 -20.361 12.671 397 HE ARG 65 HE ARG 65 3.574 -22.920 11.847 398 1HH1 ARG 65 HH22 ARG 65 3.371 -22.626 14.533 399 2HH1 ARG 65 HH21 ARG 65 4.926 -21.932 14.951 400 1HH2 ARG 65 HH12 ARG 65 5.223 -20.830 11.608 401 2HH2 ARG 65 HH11 ARG 65 6.047 -20.806 13.138 402 H VAL 66 HN VAL 66 -1.838 -23.774 12.781 403 HA VAL 66 HA VAL 66 -3.121 -23.973 10.066 404 HB VAL 66 HB VAL 66 -4.533 -23.520 12.748 405 1HG1 VAL 66 HG11 VAL 66 -5.437 -24.750 10.120 406 2HG1 VAL 66 HG13 VAL 66 -6.415 -24.624 11.572 407 3HG1 VAL 66 HG12 VAL 66 -6.030 -23.148 10.619 408 1HG2 VAL 66 HG22 VAL 66 -4.004 -25.893 10.994 409 2HG2 VAL 66 HG21 VAL 66 -3.432 -25.761 12.667 410 3HG2 VAL 66 HG23 VAL 66 -5.186 -25.825 12.318 411 NH1 ARG 67 NH1 ARG 67 0.133 -18.914 4.797 412 NH2 ARG 67 NH2 ARG 67 1.407 -18.220 6.442 413 H ARG 67 HN ARG 67 -3.632 -22.041 9.048 414 HA ARG 67 HA ARG 67 -2.348 -19.564 10.066 415 1HB ARG 67 HB2 ARG 67 -2.580 -20.357 7.603 416 2HB ARG 67 HB1 ARG 67 -4.200 -19.713 7.656 417 1HG ARG 67 HG2 ARG 67 -2.930 -17.974 6.675 418 2HG ARG 67 HG1 ARG 67 -3.158 -17.452 8.328 419 1HD ARG 67 HD2 ARG 67 -0.790 -17.146 7.678 420 2HD ARG 67 HD1 ARG 67 -0.892 -18.419 8.882 421 HE ARG 67 HE ARG 67 -0.821 -20.050 6.934 422 1HH1 ARG 67 HH12 ARG 67 -0.705 -19.310 4.462 423 2HH1 ARG 67 HH11 ARG 67 0.835 -18.634 4.127 424 1HH2 ARG 67 HH22 ARG 67 1.563 -18.075 7.409 425 2HH2 ARG 67 HH21 ARG 67 2.075 -17.955 5.735 426 H LEU 68 HN LEU 68 -3.431 -18.350 11.602 427 HA LEU 68 HA LEU 68 -6.403 -18.320 11.380 428 1HB LEU 68 HB2 LEU 68 -4.524 -18.397 13.756 429 2HB LEU 68 HB1 LEU 68 -6.029 -17.534 13.932 430 HG LEU 68 HG LEU 68 -7.337 -19.552 13.420 431 1HD1 LEU 68 HD13 LEU 68 -4.658 -20.953 13.179 432 2HD1 LEU 68 HD12 LEU 68 -6.222 -21.749 13.144 433 3HD1 LEU 68 HD11 LEU 68 -5.747 -20.654 11.861 434 1HD2 LEU 68 HD22 LEU 68 -5.168 -20.046 15.489 435 2HD2 LEU 68 HD21 LEU 68 -6.706 -19.250 15.758 436 3HD2 LEU 68 HD23 LEU 68 -6.671 -20.940 15.358 437 H PHE 69 HN PHE 69 -6.207 -16.514 9.755 438 HA PHE 69 HA PHE 69 -5.486 -14.009 10.990 439 1HB PHE 69 HB2 PHE 69 -6.866 -14.679 8.229 440 2HB PHE 69 HB1 PHE 69 -6.805 -12.977 8.808 441 HD1 PHE 69 HD1 PHE 69 -5.051 -12.262 9.872 442 HD2 PHE 69 HD2 PHE 69 -4.635 -15.600 7.279 443 HE1 PHE 69 HE1 PHE 69 -2.801 -11.842 9.743 444 HE2 PHE 69 HE2 PHE 69 -2.411 -15.238 7.170 445 HZ PHE 69 HZ PHE 69 -1.311 -13.394 8.206 446 H VAL 70 HN VAL 70 -6.186 -13.527 12.558 447 HA VAL 70 HA VAL 70 -9.072 -13.950 13.477 448 HB VAL 70 HB VAL 70 -8.305 -13.531 15.749 449 1HG1 VAL 70 HG13 VAL 70 -6.274 -15.368 14.422 450 2HG1 VAL 70 HG12 VAL 70 -6.656 -15.164 16.138 451 3HG1 VAL 70 HG11 VAL 70 -7.865 -15.814 15.033 452 1HG2 VAL 70 HG23 VAL 70 -5.578 -12.908 14.535 453 2HG2 VAL 70 HG22 VAL 70 -6.638 -11.723 15.304 454 3HG2 VAL 70 HG21 VAL 70 -5.912 -13.001 16.254 455 H ASP 71 HN ASP 71 -9.879 -11.784 14.900 456 HA ASP 71 HA ASP 71 -9.256 -9.673 12.913 457 1HB ASP 71 HB2 ASP 71 -11.381 -8.735 13.421 458 2HB ASP 71 HB1 ASP 71 -11.597 -10.407 13.545 459 H LYS 72 HN LYS 72 -10.385 -7.928 14.681 460 HA LYS 72 HA LYS 72 -7.995 -6.856 16.015 461 1HB LYS 72 HB2 LYS 72 -9.252 -5.493 14.307 462 2HB LYS 72 HB1 LYS 72 -10.728 -5.683 15.196 463 1HG LYS 72 HG2 LYS 72 -8.827 -4.322 16.924 464 2HG LYS 72 HG1 LYS 72 -8.656 -3.612 15.337 465 1HD LYS 72 HD2 LYS 72 -10.474 -2.295 16.323 466 2HD LYS 72 HD1 LYS 72 -11.229 -3.418 15.213 467 1HE LYS 72 HE2 LYS 72 -12.457 -3.489 17.329 468 2HE LYS 72 HE1 LYS 72 -11.639 -5.019 17.072 469 1HZ LYS 72 HZ3 LYS 72 -9.879 -3.151 18.303 470 2HZ LYS 72 HZ2 LYS 72 -11.260 -3.310 19.268 471 3HZ LYS 72 HZ1 LYS 72 -10.330 -4.700 18.806 472 H LEU 73 HN LEU 73 -10.040 -8.766 16.784 473 HA LEU 73 HA LEU 73 -10.031 -8.388 19.730 474 1HB LEU 73 HB2 LEU 73 -12.253 -9.235 17.955 475 2HB LEU 73 HB1 LEU 73 -12.445 -9.173 19.707 476 HG LEU 73 HG LEU 73 -11.899 -6.914 17.776 477 1HD1 LEU 73 HD13 LEU 73 -14.449 -7.661 19.269 478 2HD1 LEU 73 HD12 LEU 73 -14.281 -6.198 18.308 479 3HD1 LEU 73 HD11 LEU 73 -14.157 -7.775 17.540 480 1HD2 LEU 73 HD22 LEU 73 -12.608 -6.866 20.783 481 2HD2 LEU 73 HD21 LEU 73 -11.038 -6.444 20.135 482 3HD2 LEU 73 HD23 LEU 73 -12.433 -5.407 19.826 483 H ASP 74 HN ASP 74 -8.286 -10.097 18.145 484 HA ASP 74 HA ASP 74 -7.773 -12.267 17.555 485 1HB ASP 74 HB2 ASP 74 -6.767 -12.790 19.580 486 2HB ASP 74 HB1 ASP 74 -7.680 -11.532 20.355 487 H ASN 75 HN ASN 75 -10.726 -11.911 17.213 488 HA ASN 75 HA ASN 75 -11.496 -14.749 17.465 489 1HB ASN 75 HB2 ASN 75 -13.043 -12.155 17.149 490 2HB ASN 75 HB1 ASN 75 -13.882 -13.691 17.015 491 1HD2 ASN 75 HD21 ASN 75 -14.291 -11.967 19.772 492 2HD2 ASN 75 HD22 ASN 75 -12.583 -11.705 19.757 493 H ILE 76 HN ILE 76 -12.048 -15.855 15.741 494 HA ILE 76 HA ILE 76 -10.683 -15.487 13.365 495 HB ILE 76 HB ILE 76 -12.767 -17.425 14.150 496 1HG1 ILE 76 HG12 ILE 76 -9.743 -16.894 14.110 497 2HG1 ILE 76 HG11 ILE 76 -10.769 -17.095 15.543 498 1HG2 ILE 76 HG23 ILE 76 -10.723 -17.177 11.784 499 2HG2 ILE 76 HG22 ILE 76 -11.733 -18.609 12.022 500 3HG2 ILE 76 HG21 ILE 76 -12.422 -17.076 11.529 501 1HD1 ILE 76 HD1 ILE 76 -10.238 -19.199 13.655 502 2HD1 ILE 76 HD3 ILE 76 -9.488 -18.937 15.269 503 3HD1 ILE 76 HD2 ILE 76 -11.243 -19.242 15.139 504 H ALA 77 HN ALA 77 -10.949 -14.319 12.074 505 HA ALA 77 HA ALA 77 -13.326 -12.836 11.446 506 1HB ALA 77 HB1 ALA 77 -11.203 -12.160 12.422 507 2HB ALA 77 HB3 ALA 77 -10.304 -12.816 11.103 508 3HB ALA 77 HB2 ALA 77 -11.302 -11.360 10.825 509 H GLN 78 HN GLN 78 -10.871 -14.689 9.949 510 HA GLN 78 HA GLN 78 -12.696 -15.286 7.610 511 1HB GLN 78 HB2 GLN 78 -10.771 -13.912 6.927 512 2HB GLN 78 HB1 GLN 78 -9.652 -15.010 7.718 513 1HG GLN 78 HG2 GLN 78 -10.514 -16.862 6.075 514 2HG GLN 78 HG1 GLN 78 -11.365 -15.580 5.213 515 1HE2 GLN 78 HE22 GLN 78 -8.417 -14.815 3.491 516 2HE2 GLN 78 HE21 GLN 78 -10.120 -14.786 3.484 517 H VAL 79 HN VAL 79 -12.466 -17.614 6.808 518 HA VAL 79 HA VAL 79 -12.252 -19.311 9.060 519 HB VAL 79 HB VAL 79 -12.220 -20.041 6.083 520 1HG1 VAL 79 HG12 VAL 79 -12.514 -21.779 8.589 521 2HG1 VAL 79 HG11 VAL 79 -12.690 -22.385 6.938 522 3HG1 VAL 79 HG13 VAL 79 -11.116 -21.882 7.515 523 1HG2 VAL 79 HG21 VAL 79 -14.277 -19.040 7.236 524 2HG2 VAL 79 HG23 VAL 79 -14.535 -20.706 6.730 525 3HG2 VAL 79 HG22 VAL 79 -14.084 -20.368 8.393 526 HA PRO 80 HA PRO 80 -7.846 -19.967 9.070 527 1HB PRO 80 HB2 PRO 80 -8.164 -21.894 11.245 528 2HB PRO 80 HB1 PRO 80 -7.582 -20.229 11.284 529 1HG PRO 80 HG2 PRO 80 -9.990 -20.787 12.427 530 2HG PRO 80 HG1 PRO 80 -9.676 -19.303 11.480 531 1HD PRO 80 HD1 PRO 80 -10.818 -21.883 10.299 532 2HD PRO 80 HD2 PRO 80 -11.714 -20.364 10.429 533 NH1 ARG 81 NH1 ARG 81 -6.291 -23.929 1.141 534 NH2 ARG 81 NH2 ARG 81 -4.178 -24.592 1.425 535 H ARG 81 HN ARG 81 -6.300 -21.802 8.621 536 HA ARG 81 HA ARG 81 -7.486 -24.398 7.823 537 1HB ARG 81 HB2 ARG 81 -7.944 -23.854 5.702 538 2HB ARG 81 HB1 ARG 81 -7.475 -22.199 6.008 539 1HG ARG 81 HG2 ARG 81 -5.056 -22.962 5.554 540 2HG ARG 81 HG1 ARG 81 -5.768 -24.486 5.067 541 1HD ARG 81 HD2 ARG 81 -7.193 -23.158 3.386 542 2HD ARG 81 HD1 ARG 81 -6.237 -21.737 3.812 543 HE ARG 81 HE ARG 81 -4.178 -23.016 3.113 544 1HH1 ARG 81 HH11 ARG 81 -7.028 -23.385 1.526 545 2HH1 ARG 81 HH12 ARG 81 -6.396 -24.445 0.301 546 1HH2 ARG 81 HH21 ARG 81 -3.368 -24.542 2.015 547 2HH2 ARG 81 HH22 ARG 81 -4.153 -25.139 0.601 548 H VAL 82 HN VAL 82 -6.079 -26.040 7.451 549 HA VAL 82 HA VAL 82 -3.305 -25.671 8.325 550 HB VAL 82 HB VAL 82 -4.417 -28.249 7.192 551 1HG1 VAL 82 HG11 VAL 82 -2.078 -27.392 8.930 552 2HG1 VAL 82 HG13 VAL 82 -2.328 -29.086 8.431 553 3HG1 VAL 82 HG12 VAL 82 -1.995 -27.850 7.229 554 1HG2 VAL 82 HG23 VAL 82 -4.091 -27.512 10.014 555 2HG2 VAL 82 HG22 VAL 82 -5.605 -27.791 9.113 556 3HG2 VAL 82 HG21 VAL 82 -4.493 -29.116 9.390 557 H GLY 83 HN GLY 83 -2.177 -24.792 6.630 558 1HA GLY 83 HA1 GLY 83 -0.754 -25.696 4.853 559 2HA GLY 83 GLY 83 -2.120 -26.508 4.178 Start of MODEL 5 Raw file had 559 H/Q atoms Start of MODEL 5 1 H LEU 20 HN LEU 20 -9.950 -31.832 3.174 2 HA LEU 20 HA LEU 20 -12.351 -32.579 3.510 3 1HB LEU 20 HB2 LEU 20 -10.856 -34.790 5.029 4 2HB LEU 20 HB1 LEU 20 -12.584 -34.551 5.184 5 HG LEU 20 HG LEU 20 -12.499 -34.670 2.505 6 1HD1 LEU 20 HD12 LEU 20 -10.004 -34.792 2.387 7 2HD1 LEU 20 HD11 LEU 20 -10.043 -36.284 3.313 8 3HD1 LEU 20 HD13 LEU 20 -10.753 -36.225 1.712 9 1HD2 LEU 20 HD23 LEU 20 -12.225 -37.128 4.282 10 2HD2 LEU 20 HD22 LEU 20 -13.716 -36.257 3.957 11 3HD2 LEU 20 HD21 LEU 20 -12.899 -37.108 2.658 12 H LYS 21 HN LYS 21 -9.699 -32.400 5.686 13 HA LYS 21 HA LYS 21 -11.169 -30.394 7.297 14 1HB LYS 21 HB2 LYS 21 -9.957 -32.978 8.092 15 2HB LYS 21 HB1 LYS 21 -9.596 -31.686 9.208 16 1HG LYS 21 HG2 LYS 21 -12.498 -32.138 8.407 17 2HG LYS 21 HG1 LYS 21 -11.767 -33.204 9.582 18 1HD LYS 21 HD2 LYS 21 -12.527 -31.590 11.097 19 2HD LYS 21 HD1 LYS 21 -10.976 -30.899 10.749 20 1HE LYS 21 HE2 LYS 21 -12.145 -29.416 8.981 21 2HE LYS 21 HE1 LYS 21 -13.653 -30.025 9.657 22 1HZ LYS 21 HZ2 LYS 21 -12.062 -29.279 11.848 23 2HZ LYS 21 HZ1 LYS 21 -11.927 -28.057 10.634 24 3HZ LYS 21 HZ3 LYS 21 -13.423 -28.480 11.289 25 H THR 22 HN THR 22 -9.448 -29.491 5.387 26 HA THR 22 HA THR 22 -6.930 -28.619 6.928 27 HB THR 22 HB THR 22 -6.167 -27.568 4.773 28 HG1 THR 22 HG1 THR 22 -8.572 -27.862 3.901 29 1HG2 THR 22 HG23 THR 22 -5.463 -29.932 5.297 30 2HG2 THR 22 HG22 THR 22 -6.912 -30.491 4.447 31 3HG2 THR 22 HG21 THR 22 -5.654 -29.633 3.568 32 H GLU 23 HN GLU 23 -9.889 -27.887 7.050 33 HA GLU 23 HA GLU 23 -9.486 -25.006 7.502 34 1HB GLU 23 HB2 GLU 23 -11.758 -24.592 6.449 35 2HB GLU 23 HB1 GLU 23 -10.476 -25.082 5.370 36 1HG GLU 23 HG2 GLU 23 -12.566 -27.079 6.411 37 2HG GLU 23 HG1 GLU 23 -12.673 -26.275 4.858 38 CH2 TRP 24 CH2 TRP 24 -6.905 -27.990 10.382 39 H TRP 24 HN TRP 24 -10.765 -24.019 8.992 40 HA TRP 24 HA TRP 24 -12.543 -25.777 10.664 41 1HB TRP 24 HB2 TRP 24 -10.236 -24.069 11.819 42 2HB TRP 24 HB1 TRP 24 -11.438 -24.835 12.680 43 HD1 TRP 24 HD1 TRP 24 -11.634 -26.889 13.257 44 HE1 TRP 24 HE1 TRP 24 -10.007 -28.897 13.157 45 HE3 TRP 24 HE3 TRP 24 -8.534 -25.070 9.988 46 HZ2 TRP 24 HZ2 TRP 24 -7.507 -29.550 11.686 47 HZ3 TRP 24 HZ3 TRP 24 -6.562 -26.252 9.185 48 HH2 TRP 24 HH2 TRP 24 -6.037 -28.530 10.026 49 HA PRO 25 HA PRO 25 -14.694 -21.950 9.942 50 1HB PRO 25 HB2 PRO 25 -16.711 -22.885 8.439 51 2HB PRO 25 HB1 PRO 25 -15.065 -22.830 7.790 52 1HG PRO 25 HG2 PRO 25 -16.346 -25.284 9.083 53 2HG PRO 25 HG1 PRO 25 -15.714 -25.130 7.436 54 1HD PRO 25 HD1 PRO 25 -14.098 -26.008 9.437 55 2HD PRO 25 HD2 PRO 25 -13.475 -24.937 8.145 56 H GLU 26 HN GLU 26 -15.752 -25.112 11.234 57 HA GLU 26 HA GLU 26 -18.158 -24.125 12.462 58 1HB GLU 26 HB2 GLU 26 -18.077 -26.235 13.708 59 2HB GLU 26 HB1 GLU 26 -17.514 -26.564 12.078 60 1HG GLU 26 HG2 GLU 26 -15.679 -26.034 14.446 61 2HG GLU 26 HG1 GLU 26 -16.005 -27.615 13.766 62 H LEU 27 HN LEU 27 -14.840 -23.713 13.179 63 HA LEU 27 HA LEU 27 -15.439 -22.905 15.919 64 1HB LEU 27 HB2 LEU 27 -13.155 -23.254 16.363 65 2HB LEU 27 HB1 LEU 27 -13.671 -24.495 15.227 66 HG LEU 27 HG LEU 27 -12.595 -23.652 13.479 67 1HD1 LEU 27 HD11 LEU 27 -11.714 -21.364 15.267 68 2HD1 LEU 27 HD13 LEU 27 -10.977 -21.776 13.733 69 3HD1 LEU 27 HD12 LEU 27 -12.612 -21.203 13.760 70 1HD2 LEU 27 HD21 LEU 27 -10.968 -23.766 16.021 71 2HD2 LEU 27 HD23 LEU 27 -11.336 -25.072 14.948 72 3HD2 LEU 27 HD22 LEU 27 -10.229 -23.801 14.407 73 H VAL 28 HN VAL 28 -15.921 -21.226 13.246 74 HA VAL 28 HA VAL 28 -14.374 -18.803 13.741 75 HB VAL 28 HB VAL 28 -16.936 -19.343 12.177 76 1HG1 VAL 28 HG11 VAL 28 -15.090 -16.902 12.073 77 2HG1 VAL 28 HG13 VAL 28 -16.431 -17.209 11.003 78 3HG1 VAL 28 HG12 VAL 28 -16.732 -16.885 12.683 79 1HG2 VAL 28 HG22 VAL 28 -14.850 -20.531 11.299 80 2HG2 VAL 28 HG21 VAL 28 -15.452 -19.297 10.227 81 3HG2 VAL 28 HG23 VAL 28 -14.037 -18.995 11.209 82 H GLY 29 HN GLY 29 -15.489 -16.697 14.442 83 1HA GLY 29 HA2 GLY 29 -17.055 -15.483 15.795 84 2HA GLY 29 HA1 GLY 29 -17.943 -16.970 16.066 85 H LYS 30 HN LYS 30 -14.840 -17.590 16.774 86 HA LYS 30 HA LYS 30 -14.961 -16.809 19.632 87 1HB LYS 30 HB2 LYS 30 -13.964 -19.348 18.401 88 2HB LYS 30 HB1 LYS 30 -13.990 -19.043 20.126 89 1HG LYS 30 HG2 LYS 30 -16.442 -19.134 20.305 90 2HG LYS 30 HG1 LYS 30 -16.655 -18.951 18.584 91 1HD LYS 30 HD2 LYS 30 -15.339 -21.386 19.870 92 2HD LYS 30 HD1 LYS 30 -17.056 -21.330 19.552 93 1HE LYS 30 HE2 LYS 30 -15.199 -20.626 17.337 94 2HE LYS 30 HE1 LYS 30 -15.234 -22.321 17.785 95 1HZ LYS 30 HZ3 LYS 30 -17.904 -21.436 17.539 96 2HZ LYS 30 HZ2 LYS 30 -17.097 -20.750 16.254 97 3HZ LYS 30 HZ1 LYS 30 -17.188 -22.443 16.400 98 H SER 31 HN SER 31 -12.667 -17.019 20.645 99 HA SER 31 HA SER 31 -10.608 -15.939 18.745 100 1HB SER 31 HB2 SER 31 -9.476 -15.467 21.078 101 2HB SER 31 HB1 SER 31 -11.023 -14.653 20.904 102 HG SER 31 HG1 SER 31 -10.504 -16.474 22.743 103 H VAL 32 HN VAL 32 -8.778 -16.060 18.965 104 HA VAL 32 HA VAL 32 -8.198 -18.283 17.673 105 HB VAL 32 HB VAL 32 -7.159 -15.953 18.159 106 1HG1 VAL 32 HG13 VAL 32 -6.179 -16.513 20.398 107 2HG1 VAL 32 HG12 VAL 32 -5.127 -17.736 19.691 108 3HG1 VAL 32 HG11 VAL 32 -4.926 -16.048 19.300 109 1HG2 VAL 32 HG21 VAL 32 -6.579 -17.408 16.180 110 2HG2 VAL 32 HG23 VAL 32 -5.141 -16.631 16.777 111 3HG2 VAL 32 HG22 VAL 32 -5.423 -18.301 17.159 112 H GLU 33 HN GLU 33 -7.273 -17.843 21.067 113 HA GLU 33 HA GLU 33 -5.863 -20.278 21.296 114 1HB GLU 33 HB2 GLU 33 -7.098 -18.244 23.104 115 2HB GLU 33 HB1 GLU 33 -7.024 -19.802 23.874 116 1HG GLU 33 HG2 GLU 33 -4.675 -18.350 22.554 117 2HG GLU 33 HG1 GLU 33 -4.893 -18.535 24.288 118 H GLU 34 HN GLU 34 -9.198 -19.706 21.656 119 HA GLU 34 HA GLU 34 -9.877 -22.447 22.381 120 1HB GLU 34 HB2 GLU 34 -11.579 -20.269 21.067 121 2HB GLU 34 HB1 GLU 34 -12.222 -21.758 21.748 122 1HG GLU 34 HG2 GLU 34 -10.736 -19.586 23.296 123 2HG GLU 34 HG1 GLU 34 -12.435 -19.975 23.456 124 H ALA 35 HN ALA 35 -9.858 -20.636 19.326 125 HA ALA 35 HA ALA 35 -10.549 -22.781 17.623 126 1HB ALA 35 HB2 ALA 35 -8.488 -20.584 17.115 127 2HB ALA 35 HB1 ALA 35 -9.210 -21.568 15.845 128 3HB ALA 35 HB3 ALA 35 -10.209 -20.494 16.811 129 H LYS 36 HN LYS 36 -7.264 -21.990 18.774 130 HA LYS 36 HA LYS 36 -5.926 -24.019 17.371 131 1HB LYS 36 HB2 LYS 36 -5.348 -23.008 20.201 132 2HB LYS 36 HB1 LYS 36 -4.228 -23.924 19.195 133 1HG LYS 36 HG2 LYS 36 -3.982 -22.113 17.645 134 2HG LYS 36 HG1 LYS 36 -5.349 -21.238 18.282 135 1HD LYS 36 HD2 LYS 36 -3.349 -20.214 19.246 136 2HD LYS 36 HD1 LYS 36 -4.147 -21.129 20.496 137 1HE LYS 36 HE2 LYS 36 -2.569 -23.041 20.103 138 2HE LYS 36 HE1 LYS 36 -1.737 -22.080 18.896 139 1HZ LYS 36 HZ3 LYS 36 -2.084 -20.588 21.283 140 2HZ LYS 36 HZ2 LYS 36 -1.410 -22.035 21.688 141 3HZ LYS 36 HZ1 LYS 36 -0.610 -21.037 20.520 142 H LYS 37 HN LYS 37 -7.384 -24.011 20.471 143 HA LYS 37 HA LYS 37 -6.783 -26.563 21.224 144 1HB LYS 37 HB2 LYS 37 -9.261 -24.923 21.795 145 2HB LYS 37 HB1 LYS 37 -8.947 -26.438 22.622 146 1HG LYS 37 HG2 LYS 37 -6.785 -25.530 23.478 147 2HG LYS 37 HG1 LYS 37 -7.056 -24.030 22.651 148 1HD LYS 37 HD2 LYS 37 -9.354 -23.967 23.988 149 2HD LYS 37 HD1 LYS 37 -8.686 -25.284 24.915 150 1HE LYS 37 HE2 LYS 37 -8.405 -23.141 26.065 151 2HE LYS 37 HE1 LYS 37 -6.831 -23.823 25.685 152 1HZ LYS 37 HZ1 LYS 37 -7.636 -22.334 23.462 153 2HZ LYS 37 HZ3 LYS 37 -8.091 -21.444 24.812 154 3HZ LYS 37 HZ2 LYS 37 -6.412 -21.843 24.541 155 H VAL 38 HN VAL 38 -9.521 -25.462 19.411 156 HA VAL 38 HA VAL 38 -10.714 -28.055 18.870 157 HB VAL 38 HB VAL 38 -10.637 -25.628 17.008 158 1HG1 VAL 38 HG11 VAL 38 -11.382 -27.670 15.813 159 2HG1 VAL 38 HG13 VAL 38 -12.609 -27.956 17.026 160 3HG1 VAL 38 HG12 VAL 38 -12.718 -26.559 15.968 161 1HG2 VAL 38 HG22 VAL 38 -11.621 -24.877 19.063 162 2HG2 VAL 38 HG21 VAL 38 -12.773 -24.919 17.753 163 3HG2 VAL 38 HG23 VAL 38 -12.819 -26.167 19.030 164 H ILE 39 HN ILE 39 -8.672 -26.128 16.900 165 HA ILE 39 HA ILE 39 -8.466 -27.857 14.693 166 HB ILE 39 HB ILE 39 -6.576 -25.806 15.873 167 1HG1 ILE 39 HG12 ILE 39 -8.779 -25.727 13.775 168 2HG1 ILE 39 HG11 ILE 39 -8.827 -24.967 15.332 169 1HG2 ILE 39 HG23 ILE 39 -5.503 -27.344 14.192 170 2HG2 ILE 39 HG22 ILE 39 -6.815 -26.861 13.038 171 3HG2 ILE 39 HG21 ILE 39 -5.718 -25.675 13.633 172 1HD1 ILE 39 HD1 ILE 39 -6.900 -23.515 14.691 173 2HD1 ILE 39 HD3 ILE 39 -6.862 -24.320 13.112 174 3HD1 ILE 39 HD2 ILE 39 -8.298 -23.348 13.612 175 H LEU 40 HN LEU 40 -6.396 -27.604 17.489 176 HA LEU 40 HA LEU 40 -4.620 -29.669 16.783 177 1HB LEU 40 HB2 LEU 40 -5.691 -28.649 19.478 178 2HB LEU 40 HB1 LEU 40 -4.313 -29.688 19.303 179 HG LEU 40 HG LEU 40 -4.429 -26.912 18.092 180 1HD1 LEU 40 HD11 LEU 40 -3.010 -27.941 20.573 181 2HD1 LEU 40 HD13 LEU 40 -2.864 -26.317 19.921 182 3HD1 LEU 40 HD12 LEU 40 -4.396 -26.866 20.586 183 1HD2 LEU 40 HD22 LEU 40 -2.142 -28.879 18.368 184 2HD2 LEU 40 HD21 LEU 40 -2.933 -28.303 16.887 185 3HD2 LEU 40 HD23 LEU 40 -2.053 -27.187 17.903 186 H GLN 41 HN GLN 41 -7.849 -29.776 18.256 187 HA GLN 41 HA GLN 41 -7.673 -32.578 18.889 188 1HB GLN 41 HB2 GLN 41 -9.345 -30.917 19.760 189 2HB GLN 41 HB1 GLN 41 -10.076 -30.837 18.172 190 1HG GLN 41 HG2 GLN 41 -10.666 -33.236 18.238 191 2HG GLN 41 HG1 GLN 41 -9.981 -33.341 19.856 192 1HE2 GLN 41 HE21 GLN 41 -13.064 -32.330 21.124 193 2HE2 GLN 41 HE22 GLN 41 -11.767 -33.426 21.261 194 H ASP 42 HN ASP 42 -8.635 -30.912 16.106 195 HA ASP 42 HA ASP 42 -9.367 -33.230 14.485 196 1HB ASP 42 HB2 ASP 42 -8.780 -30.342 13.718 197 2HB ASP 42 HB1 ASP 42 -9.562 -31.513 12.649 198 H LYS 43 HN LYS 43 -6.536 -31.130 14.434 199 HA LYS 43 HA LYS 43 -5.037 -33.215 12.897 200 1HB LYS 43 HB2 LYS 43 -5.705 -31.237 11.533 201 2HB LYS 43 HB1 LYS 43 -4.859 -30.189 12.656 202 1HG LYS 43 HG2 LYS 43 -2.737 -31.215 12.145 203 2HG LYS 43 HG1 LYS 43 -3.471 -32.475 11.187 204 1HD LYS 43 HD2 LYS 43 -4.241 -30.764 9.524 205 2HD LYS 43 HD1 LYS 43 -3.552 -29.482 10.498 206 1HE LYS 43 HE2 LYS 43 -1.940 -31.778 9.312 207 2HE LYS 43 HE1 LYS 43 -2.074 -30.191 8.562 208 1HZ LYS 43 HZ1 LYS 43 -1.375 -29.994 11.359 209 2HZ LYS 43 HZ3 LYS 43 -0.349 -30.977 10.683 210 3HZ LYS 43 HZ2 LYS 43 -0.514 -29.404 10.000 211 HA PRO 44 HA PRO 44 -3.647 -32.989 17.426 212 1HB PRO 44 HB2 PRO 44 -2.227 -34.985 15.663 213 2HB PRO 44 HB1 PRO 44 -2.375 -35.051 17.427 214 1HG PRO 44 HG2 PRO 44 -4.289 -36.239 15.904 215 2HG PRO 44 HG1 PRO 44 -4.793 -35.290 17.301 216 1HD PRO 44 HD1 PRO 44 -5.153 -34.642 14.423 217 2HD PRO 44 HD2 PRO 44 -5.925 -33.879 15.827 218 H GLU 45 HN GLU 45 -1.144 -33.016 14.894 219 HA GLU 45 HA GLU 45 0.755 -31.674 16.580 220 1HB GLU 45 HB2 GLU 45 2.104 -32.151 14.416 221 2HB GLU 45 HB1 GLU 45 1.395 -33.468 15.371 222 1HG GLU 45 HG2 GLU 45 1.194 -33.790 12.869 223 2HG GLU 45 HG1 GLU 45 -0.258 -34.057 13.763 224 H ALA 46 HN ALA 46 -1.695 -30.336 14.885 225 HA ALA 46 HA ALA 46 -0.562 -28.305 13.352 226 1HB ALA 46 HB2 ALA 46 -2.920 -29.035 13.320 227 2HB ALA 46 HB1 ALA 46 -3.205 -28.372 14.900 228 3HB ALA 46 HB3 ALA 46 -2.816 -27.310 13.557 229 H GLN 47 HN GLN 47 1.294 -27.368 14.518 230 HA GLN 47 HA GLN 47 0.810 -25.985 17.088 231 1HB GLN 47 HB2 GLN 47 3.149 -26.725 16.283 232 2HB GLN 47 HB1 GLN 47 3.071 -25.483 15.052 233 1HG GLN 47 HG2 GLN 47 2.802 -24.879 18.064 234 2HG GLN 47 HG1 GLN 47 4.333 -24.798 17.239 235 1HE2 GLN 47 HE22 GLN 47 2.735 -21.802 15.508 236 2HE2 GLN 47 HE21 GLN 47 2.926 -23.348 14.759 237 H ILE 48 HN ILE 48 -0.640 -24.350 17.021 238 HA ILE 48 HA ILE 48 -0.889 -22.827 14.466 239 HB ILE 48 HB ILE 48 -2.696 -23.512 16.590 240 1HG1 ILE 48 HG12 ILE 48 -3.088 -24.013 13.668 241 2HG1 ILE 48 HG11 ILE 48 -1.898 -24.993 14.488 242 1HG2 ILE 48 HG23 ILE 48 -3.246 -21.714 14.177 243 2HG2 ILE 48 HG22 ILE 48 -4.494 -22.324 15.232 244 3HG2 ILE 48 HG21 ILE 48 -3.332 -21.158 15.835 245 1HD1 ILE 48 HD1 ILE 48 -4.803 -24.647 15.179 246 2HD1 ILE 48 HD3 ILE 48 -3.975 -26.010 14.425 247 3HD1 ILE 48 HD2 ILE 48 -3.657 -25.653 16.104 248 H ILE 49 HN ILE 49 -1.249 -20.701 14.284 249 HA ILE 49 HA ILE 49 -0.413 -18.976 16.587 250 HB ILE 49 HB ILE 49 0.219 -18.665 13.790 251 1HG1 ILE 49 HG12 ILE 49 1.466 -20.547 14.785 252 2HG1 ILE 49 HG11 ILE 49 2.537 -19.269 14.243 253 1HG2 ILE 49 HG23 ILE 49 1.163 -16.949 16.128 254 2HG2 ILE 49 HG22 ILE 49 1.849 -16.860 14.519 255 3HG2 ILE 49 HG21 ILE 49 0.190 -16.412 14.767 256 1HD1 ILE 49 HD1 ILE 49 1.610 -19.657 17.129 257 2HD1 ILE 49 HD3 ILE 49 3.205 -20.052 16.512 258 3HD1 ILE 49 HD2 ILE 49 2.683 -18.384 16.557 259 H VAL 50 HN VAL 50 -0.991 -16.865 16.513 260 HA VAL 50 HA VAL 50 -3.650 -16.200 15.401 261 HB VAL 50 HB VAL 50 -3.401 -16.388 17.796 262 1HG1 VAL 50 HG11 VAL 50 -1.317 -14.214 17.705 263 2HG1 VAL 50 HG13 VAL 50 -2.104 -14.824 19.151 264 3HG1 VAL 50 HG12 VAL 50 -1.096 -15.886 18.202 265 1HG2 VAL 50 HG21 VAL 50 -4.981 -14.566 16.883 266 2HG2 VAL 50 HG23 VAL 50 -4.325 -14.119 18.442 267 3HG2 VAL 50 HG22 VAL 50 -3.662 -13.420 16.988 268 H LEU 51 HN LEU 51 -3.757 -14.876 13.782 269 HA LEU 51 HA LEU 51 -1.833 -12.612 13.543 270 1HB LEU 51 HB2 LEU 51 -3.020 -14.265 11.288 271 2HB LEU 51 HB1 LEU 51 -2.077 -12.810 11.114 272 HG LEU 51 HG LEU 51 -0.110 -14.085 12.171 273 1HD1 LEU 51 HD12 LEU 51 -1.967 -16.417 11.491 274 2HD1 LEU 51 HD11 LEU 51 -0.284 -16.610 11.961 275 3HD1 LEU 51 HD13 LEU 51 -1.457 -16.002 13.107 276 1HD2 LEU 51 HD22 LEU 51 -0.418 -13.518 9.750 277 2HD2 LEU 51 HD21 LEU 51 0.345 -15.095 9.918 278 3HD2 LEU 51 HD23 LEU 51 -1.360 -15.002 9.504 279 HA PRO 52 HA PRO 52 -5.783 -10.374 13.282 280 1HB PRO 52 HB2 PRO 52 -4.877 -7.857 12.771 281 2HB PRO 52 HB1 PRO 52 -4.577 -8.615 14.337 282 1HG PRO 52 HG2 PRO 52 -2.731 -8.503 11.868 283 2HG PRO 52 HG1 PRO 52 -2.320 -8.066 13.515 284 1HD PRO 52 HD1 PRO 52 -1.716 -10.586 12.542 285 2HD PRO 52 HD2 PRO 52 -2.194 -10.362 14.242 286 H VAL 53 HN VAL 53 -7.227 -10.080 11.497 287 HA VAL 53 HA VAL 53 -6.713 -11.004 8.931 288 HB VAL 53 HB VAL 53 -8.504 -8.858 9.589 289 1HG1 VAL 53 HG11 VAL 53 -8.253 -10.722 7.158 290 2HG1 VAL 53 HG13 VAL 53 -9.641 -9.649 7.393 291 3HG1 VAL 53 HG12 VAL 53 -8.042 -8.990 7.089 292 1HG2 VAL 53 HG23 VAL 53 -8.606 -11.880 9.347 293 2HG2 VAL 53 HG22 VAL 53 -8.910 -10.998 10.781 294 3HG2 VAL 53 HG21 VAL 53 -10.106 -10.939 9.516 295 H GLY 54 HN GLY 54 -5.613 -10.653 7.443 296 1HA GLY 54 HA1 GLY 54 -4.882 -8.984 5.593 297 2HA GLY 54 HA2 GLY 54 -4.495 -7.870 6.891 298 H THR 55 HN THR 55 -3.116 -9.685 8.631 299 HA THR 55 HA THR 55 -0.491 -9.487 7.960 300 HB THR 55 HB THR 55 -1.666 -11.702 9.525 301 HG1 THR 55 HG1 THR 55 -2.655 -9.862 10.414 302 1HG2 THR 55 HG21 THR 55 0.679 -11.554 9.603 303 2HG2 THR 55 HG23 THR 55 0.426 -9.885 10.226 304 3HG2 THR 55 HG22 THR 55 -0.417 -11.283 10.983 305 H ILE 56 HN ILE 56 1.061 -11.230 7.664 306 HA ILE 56 HA ILE 56 0.832 -12.389 5.119 307 HB ILE 56 HB ILE 56 2.635 -13.260 7.393 308 1HG1 ILE 56 HG12 ILE 56 2.762 -10.852 6.703 309 2HG1 ILE 56 HG11 ILE 56 4.255 -11.725 6.470 310 1HG2 ILE 56 HG21 ILE 56 2.848 -13.822 4.386 311 2HG2 ILE 56 HG23 ILE 56 4.106 -14.163 5.560 312 3HG2 ILE 56 HG22 ILE 56 2.592 -15.044 5.609 313 1HD1 ILE 56 HD3 ILE 56 2.228 -10.994 4.285 314 2HD1 ILE 56 HD2 ILE 56 3.781 -10.233 4.551 315 3HD1 ILE 56 HD1 ILE 56 3.710 -11.891 4.010 316 H VAL 57 HN VAL 57 -0.302 -13.779 4.364 317 HA VAL 57 HA VAL 57 -0.967 -16.396 5.666 318 HB VAL 57 HB VAL 57 -2.625 -15.958 3.415 319 1HG1 VAL 57 HG11 VAL 57 -3.197 -16.506 6.369 320 2HG1 VAL 57 HG13 VAL 57 -4.387 -16.535 5.087 321 3HG1 VAL 57 HG12 VAL 57 -3.031 -17.642 5.099 322 1HG2 VAL 57 HG21 VAL 57 -2.822 -14.002 5.772 323 2HG2 VAL 57 HG23 VAL 57 -2.492 -13.644 4.047 324 3HG2 VAL 57 HG22 VAL 57 -4.082 -14.266 4.590 325 H THR 58 HN THR 58 -1.071 -15.514 2.337 326 HA THR 58 HA THR 58 0.110 -18.081 1.757 327 HB THR 58 HB THR 58 -0.433 -16.349 -0.394 328 HG1 THR 58 HG1 THR 58 -2.619 -16.267 -0.081 329 1HG2 THR 58 HG21 THR 58 -0.177 -18.874 -0.248 330 2HG2 THR 58 HG23 THR 58 -1.603 -18.930 0.765 331 3HG2 THR 58 HG22 THR 58 -1.783 -18.502 -0.951 332 H MET 59 HN MET 59 1.900 -17.784 2.517 333 HA MET 59 HA MET 59 4.240 -16.855 0.863 334 1HB MET 59 HB2 MET 59 4.003 -16.329 3.403 335 2HB MET 59 HB1 MET 59 4.315 -18.032 3.667 336 1HG MET 59 HG2 MET 59 6.482 -16.849 3.745 337 2HG MET 59 HG1 MET 59 6.484 -17.706 2.246 338 1HE MET 59 HE1 MET 59 6.836 -14.403 4.006 339 2HE MET 59 HE3 MET 59 8.294 -15.157 3.309 340 3HE MET 59 HE2 MET 59 7.731 -13.607 2.715 341 H GLU 60 HN GLU 60 5.418 -19.105 2.404 342 HA GLU 60 HA GLU 60 5.076 -21.277 0.469 343 1HB GLU 60 HB2 GLU 60 7.102 -21.958 1.408 344 2HB GLU 60 HB1 GLU 60 7.176 -20.296 1.774 345 1HG GLU 60 HG2 GLU 60 6.145 -22.187 3.896 346 2HG GLU 60 HG1 GLU 60 7.845 -21.796 3.682 347 OH TYR 61 OH TYR 61 -2.684 -26.670 4.048 348 H TYR 61 HN TYR 61 4.886 -23.512 2.140 349 HA TYR 61 HA TYR 61 2.161 -23.063 3.403 350 1HB TYR 61 HB2 TYR 61 2.242 -24.362 1.263 351 2HB TYR 61 HB1 TYR 61 3.086 -25.632 2.137 352 HD1 TYR 61 HD1 TYR 61 0.071 -23.581 2.120 353 HD2 TYR 61 HD2 TYR 61 1.789 -27.134 3.570 354 HE1 TYR 61 HE1 TYR 61 -2.194 -24.368 2.821 355 HE2 TYR 61 HE2 TYR 61 -0.442 -27.888 4.275 356 HH TYR 61 HH TYR 61 -3.324 -25.942 4.000 357 NH1 ARG 62 NH1 ARG 62 7.713 -21.082 8.576 358 NH2 ARG 62 NH2 ARG 62 7.066 -19.534 7.078 359 H ARG 62 HN ARG 62 2.670 -22.981 5.586 360 HA ARG 62 HA ARG 62 4.473 -25.089 6.701 361 1HB ARG 62 HB2 ARG 62 3.271 -22.545 7.727 362 2HB ARG 62 HB1 ARG 62 3.700 -23.774 8.943 363 1HG ARG 62 HG2 ARG 62 5.498 -22.356 8.786 364 2HG ARG 62 HG1 ARG 62 5.942 -23.793 7.882 365 1HD ARG 62 HD2 ARG 62 5.261 -22.660 5.763 366 2HD ARG 62 HD1 ARG 62 4.808 -21.197 6.633 367 HE ARG 62 HE ARG 62 7.526 -22.139 6.178 368 1HH1 ARG 62 HH11 ARG 62 7.715 -22.069 8.729 369 2HH1 ARG 62 HH12 ARG 62 8.069 -20.434 9.238 370 1HH2 ARG 62 HH22 ARG 62 6.593 -19.455 6.190 371 2HH2 ARG 62 HH21 ARG 62 7.385 -18.746 7.591 372 H ILE 63 HN ILE 63 2.932 -26.473 5.823 373 HA ILE 63 HA ILE 63 0.399 -26.954 6.847 374 HB ILE 63 HB ILE 63 1.521 -28.420 5.030 375 1HG1 ILE 63 HG12 ILE 63 1.137 -30.702 5.877 376 2HG1 ILE 63 HG11 ILE 63 0.767 -30.019 7.462 377 1HG2 ILE 63 HG23 ILE 63 3.757 -28.299 6.096 378 2HG2 ILE 63 HG22 ILE 63 3.213 -29.401 7.343 379 3HG2 ILE 63 HG21 ILE 63 3.344 -29.953 5.677 380 1HD1 ILE 63 HD3 ILE 63 -1.004 -28.667 6.292 381 2HD1 ILE 63 HD2 ILE 63 -0.774 -29.654 4.861 382 3HD1 ILE 63 HD1 ILE 63 -1.362 -30.394 6.318 383 H ASP 64 HN ASP 64 3.151 -27.408 8.614 384 HA ASP 64 HA ASP 64 2.310 -29.023 10.755 385 1HB ASP 64 HB2 ASP 64 4.282 -27.719 11.777 386 2HB ASP 64 HB1 ASP 64 4.615 -28.406 10.198 387 NH1 ARG 65 NH2 ARG 65 0.714 -22.850 8.686 388 NH2 ARG 65 NH1 ARG 65 1.497 -20.855 8.134 389 H ARG 65 HN ARG 65 1.269 -26.043 9.805 390 HA ARG 65 HA ARG 65 0.008 -25.310 12.362 391 1HB ARG 65 HB2 ARG 65 1.982 -24.186 12.195 392 2HB ARG 65 HB1 ARG 65 1.812 -24.067 10.472 393 1HG ARG 65 HG2 ARG 65 -0.215 -22.353 11.024 394 2HG ARG 65 HG1 ARG 65 0.351 -22.412 12.673 395 1HD ARG 65 HD2 ARG 65 1.213 -20.445 11.265 396 2HD ARG 65 HD1 ARG 65 2.485 -21.426 12.015 397 HE ARG 65 HE ARG 65 3.140 -22.074 9.815 398 1HH1 ARG 65 HH22 ARG 65 0.736 -23.659 9.267 399 2HH1 ARG 65 HH21 ARG 65 0.110 -22.832 7.903 400 1HH2 ARG 65 HH12 ARG 65 2.130 -20.106 8.312 401 2HH2 ARG 65 HH11 ARG 65 0.884 -20.860 7.339 402 H VAL 66 HN VAL 66 -1.907 -24.156 12.402 403 HA VAL 66 HA VAL 66 -3.316 -23.822 9.790 404 HB VAL 66 HB VAL 66 -4.615 -23.741 12.522 405 1HG1 VAL 66 HG11 VAL 66 -5.672 -24.462 9.781 406 2HG1 VAL 66 HG13 VAL 66 -6.547 -24.574 11.306 407 3HG1 VAL 66 HG12 VAL 66 -6.126 -22.958 10.636 408 1HG2 VAL 66 HG23 VAL 66 -4.300 -25.905 10.523 409 2HG2 VAL 66 HG22 VAL 66 -3.613 -25.982 12.161 410 3HG2 VAL 66 HG21 VAL 66 -5.387 -25.912 11.899 411 NH1 ARG 67 NH1 ARG 67 -0.088 -19.164 6.482 412 NH2 ARG 67 NH2 ARG 67 1.131 -17.307 6.517 413 H ARG 67 HN ARG 67 -3.970 -21.773 9.205 414 HA ARG 67 HA ARG 67 -2.799 -19.564 10.866 415 1HB ARG 67 HB2 ARG 67 -2.355 -19.914 8.294 416 2HB ARG 67 HB1 ARG 67 -3.957 -19.246 8.072 417 1HG ARG 67 HG2 ARG 67 -2.916 -17.218 8.165 418 2HG ARG 67 HG1 ARG 67 -2.992 -17.436 9.881 419 1HD ARG 67 HD2 ARG 67 -0.698 -17.364 9.913 420 2HD ARG 67 HD1 ARG 67 -0.694 -18.964 9.222 421 HE ARG 67 HE ARG 67 -0.710 -16.431 7.592 422 1HH1 ARG 67 HH12 ARG 67 -0.871 -19.659 6.849 423 2HH1 ARG 67 HH11 ARG 67 0.482 -19.599 5.766 424 1HH2 ARG 67 HH21 ARG 67 1.211 -16.409 6.943 425 2HH2 ARG 67 HH22 ARG 67 1.773 -17.620 5.814 426 H LEU 68 HN LEU 68 -4.115 -18.405 12.075 427 HA LEU 68 HA LEU 68 -7.022 -18.498 11.447 428 1HB LEU 68 HB2 LEU 68 -5.473 -18.099 14.021 429 2HB LEU 68 HB1 LEU 68 -7.177 -17.772 13.929 430 HG LEU 68 HG LEU 68 -7.737 -20.105 13.684 431 1HD1 LEU 68 HD11 LEU 68 -4.785 -20.619 13.160 432 2HD1 LEU 68 HD13 LEU 68 -6.006 -21.871 13.329 433 3HD1 LEU 68 HD12 LEU 68 -6.084 -20.745 12.004 434 1HD2 LEU 68 HD23 LEU 68 -5.297 -19.887 15.476 435 2HD2 LEU 68 HD22 LEU 68 -6.948 -19.505 15.943 436 3HD2 LEU 68 HD21 LEU 68 -6.508 -21.151 15.573 437 H PHE 69 HN PHE 69 -6.866 -16.572 9.831 438 HA PHE 69 HA PHE 69 -6.060 -14.130 11.081 439 1HB PHE 69 HB2 PHE 69 -7.390 -14.994 8.427 440 2HB PHE 69 HB1 PHE 69 -7.490 -13.242 8.779 441 HD1 PHE 69 HD1 PHE 69 -5.818 -12.255 9.948 442 HD2 PHE 69 HD2 PHE 69 -5.141 -15.685 7.525 443 HE1 PHE 69 HE1 PHE 69 -3.412 -11.722 9.815 444 HE2 PHE 69 HE2 PHE 69 -2.868 -15.133 7.425 445 HZ PHE 69 HZ PHE 69 -1.953 -13.240 8.354 446 H VAL 70 HN VAL 70 -6.735 -13.326 12.613 447 HA VAL 70 HA VAL 70 -9.570 -13.564 13.588 448 HB VAL 70 HB VAL 70 -8.748 -13.178 15.815 449 1HG1 VAL 70 HG11 VAL 70 -8.247 -15.481 15.084 450 2HG1 VAL 70 HG13 VAL 70 -6.700 -14.953 14.477 451 3HG1 VAL 70 HG12 VAL 70 -7.029 -14.910 16.194 452 1HG2 VAL 70 HG23 VAL 70 -6.010 -12.545 14.621 453 2HG2 VAL 70 HG22 VAL 70 -7.072 -11.374 15.380 454 3HG2 VAL 70 HG21 VAL 70 -6.358 -12.667 16.317 455 H ASP 71 HN ASP 71 -10.267 -11.458 14.932 456 HA ASP 71 HA ASP 71 -9.756 -9.249 13.024 457 1HB ASP 71 HB2 ASP 71 -11.879 -8.391 13.732 458 2HB ASP 71 HB1 ASP 71 -12.055 -10.063 13.807 459 H LYS 72 HN LYS 72 -10.786 -7.627 15.007 460 HA LYS 72 HA LYS 72 -8.272 -6.687 16.212 461 1HB LYS 72 HB2 LYS 72 -10.237 -5.382 14.898 462 2HB LYS 72 HB1 LYS 72 -10.744 -5.025 16.530 463 1HG LYS 72 HG2 LYS 72 -7.948 -4.482 15.423 464 2HG LYS 72 HG1 LYS 72 -9.211 -3.300 15.270 465 1HD LYS 72 HD2 LYS 72 -8.031 -4.307 17.915 466 2HD LYS 72 HD1 LYS 72 -7.666 -2.789 17.143 467 1HE LYS 72 HE2 LYS 72 -9.281 -1.914 18.477 468 2HE LYS 72 HE1 LYS 72 -10.384 -2.531 17.259 469 1HZ LYS 72 HZ1 LYS 72 -9.641 -4.617 19.043 470 2HZ LYS 72 HZ3 LYS 72 -10.249 -3.313 19.949 471 3HZ LYS 72 HZ2 LYS 72 -11.166 -4.093 18.727 472 H LEU 73 HN LEU 73 -10.321 -8.611 17.040 473 HA LEU 73 HA LEU 73 -10.094 -8.340 20.007 474 1HB LEU 73 HB2 LEU 73 -12.427 -9.146 18.326 475 2HB LEU 73 HB1 LEU 73 -12.500 -9.161 20.089 476 HG LEU 73 HG LEU 73 -12.105 -6.806 18.230 477 1HD1 LEU 73 HD11 LEU 73 -14.513 -7.658 19.926 478 2HD1 LEU 73 HD13 LEU 73 -14.443 -6.145 19.033 479 3HD1 LEU 73 HD12 LEU 73 -14.398 -7.677 18.172 480 1HD2 LEU 73 HD23 LEU 73 -12.507 -6.917 21.286 481 2HD2 LEU 73 HD22 LEU 73 -11.032 -6.412 20.489 482 3HD2 LEU 73 HD21 LEU 73 -12.480 -5.414 20.390 483 H ASP 74 HN ASP 74 -8.589 -9.852 18.075 484 HA ASP 74 HA ASP 74 -7.975 -11.927 17.384 485 1HB ASP 74 HB2 ASP 74 -6.425 -12.156 19.147 486 2HB ASP 74 HB1 ASP 74 -7.460 -11.218 20.186 487 H ASN 75 HN ASN 75 -10.755 -11.803 17.343 488 HA ASN 75 HA ASN 75 -11.593 -14.598 17.885 489 1HB ASN 75 HB2 ASN 75 -13.024 -11.927 17.688 490 2HB ASN 75 HB1 ASN 75 -13.954 -13.399 17.489 491 1HD2 ASN 75 HD21 ASN 75 -13.774 -12.255 21.013 492 2HD2 ASN 75 HD22 ASN 75 -13.066 -11.281 19.788 493 H ILE 76 HN ILE 76 -12.101 -15.804 16.170 494 HA ILE 76 HA ILE 76 -10.969 -15.326 13.685 495 HB ILE 76 HB ILE 76 -12.934 -17.371 14.584 496 1HG1 ILE 76 HG12 ILE 76 -10.009 -16.522 14.747 497 2HG1 ILE 76 HG11 ILE 76 -11.056 -17.176 16.022 498 1HG2 ILE 76 HG21 ILE 76 -10.978 -17.053 12.194 499 2HG2 ILE 76 HG23 ILE 76 -11.877 -18.548 12.494 500 3HG2 ILE 76 HG22 ILE 76 -12.691 -17.080 12.007 501 1HD1 ILE 76 HD3 ILE 76 -11.072 -19.256 15.188 502 2HD1 ILE 76 HD2 ILE 76 -9.972 -18.779 13.853 503 3HD1 ILE 76 HD1 ILE 76 -9.423 -18.697 15.547 504 H ALA 77 HN ALA 77 -11.383 -14.116 12.497 505 HA ALA 77 HA ALA 77 -13.801 -12.688 11.939 506 1HB ALA 77 HB1 ALA 77 -11.659 -11.986 12.929 507 2HB ALA 77 HB3 ALA 77 -10.774 -12.586 11.584 508 3HB ALA 77 HB2 ALA 77 -11.787 -11.132 11.371 509 H GLN 78 HN GLN 78 -11.331 -14.525 10.509 510 HA GLN 78 HA GLN 78 -12.885 -14.969 7.979 511 1HB GLN 78 HB2 GLN 78 -10.965 -13.553 7.686 512 2HB GLN 78 HB1 GLN 78 -9.959 -14.625 8.646 513 1HG GLN 78 HG2 GLN 78 -10.250 -16.401 6.819 514 2HG GLN 78 HG1 GLN 78 -11.055 -15.182 5.837 515 1HE2 GLN 78 HE22 GLN 78 -7.867 -13.352 5.636 516 2HE2 GLN 78 HE21 GLN 78 -9.479 -12.923 6.009 517 H VAL 79 HN VAL 79 -12.627 -17.303 7.083 518 HA VAL 79 HA VAL 79 -12.555 -19.059 9.376 519 HB VAL 79 HB VAL 79 -12.721 -19.785 6.395 520 1HG1 VAL 79 HG11 VAL 79 -12.993 -21.527 8.926 521 2HG1 VAL 79 HG13 VAL 79 -13.194 -22.133 7.278 522 3HG1 VAL 79 HG12 VAL 79 -11.611 -21.672 7.837 523 1HG2 VAL 79 HG22 VAL 79 -14.742 -18.785 7.637 524 2HG2 VAL 79 HG21 VAL 79 -14.999 -20.462 7.160 525 3HG2 VAL 79 HG23 VAL 79 -14.484 -20.089 8.804 526 HA PRO 80 HA PRO 80 -8.196 -19.824 9.028 527 1HB PRO 80 HB2 PRO 80 -8.461 -21.939 11.063 528 2HB PRO 80 HB1 PRO 80 -7.764 -20.325 11.176 529 1HG PRO 80 HG2 PRO 80 -10.048 -20.789 12.464 530 2HG PRO 80 HG1 PRO 80 -9.802 -19.280 11.582 531 1HD PRO 80 HD1 PRO 80 -11.088 -21.765 10.336 532 2HD PRO 80 HD2 PRO 80 -11.955 -20.250 10.621 533 NH1 ARG 81 NH1 ARG 81 -4.492 -19.529 4.677 534 NH2 ARG 81 NH2 ARG 81 -3.616 -21.134 6.011 535 H ARG 81 HN ARG 81 -6.729 -21.553 8.521 536 HA ARG 81 HA ARG 81 -7.778 -24.026 7.375 537 1HB ARG 81 HB2 ARG 81 -6.499 -22.832 5.062 538 2HB ARG 81 HB1 ARG 81 -8.101 -23.468 5.229 539 1HG ARG 81 HG2 ARG 81 -8.354 -21.226 4.456 540 2HG ARG 81 HG1 ARG 81 -8.876 -21.348 6.120 541 1HD ARG 81 HD2 ARG 81 -7.052 -19.417 5.042 542 2HD ARG 81 HD1 ARG 81 -7.454 -19.636 6.736 543 HE ARG 81 HE ARG 81 -5.690 -21.408 6.810 544 1HH1 ARG 81 HH12 ARG 81 -5.310 -18.998 4.479 545 2HH1 ARG 81 HH11 ARG 81 -3.633 -19.364 4.198 546 1HH2 ARG 81 HH21 ARG 81 -3.797 -21.819 6.715 547 2HH2 ARG 81 HH22 ARG 81 -2.678 -21.033 5.684 548 H VAL 82 HN VAL 82 -5.954 -25.434 6.576 549 HA VAL 82 HA VAL 82 -3.575 -24.881 8.172 550 HB VAL 82 HB VAL 82 -3.999 -27.090 6.107 551 1HG1 VAL 82 HG11 VAL 82 -2.106 -26.612 8.482 552 2HG1 VAL 82 HG13 VAL 82 -2.200 -28.073 7.538 553 3HG1 VAL 82 HG12 VAL 82 -1.594 -26.571 6.791 554 1HG2 VAL 82 HG23 VAL 82 -4.431 -27.127 9.074 555 2HG2 VAL 82 HG22 VAL 82 -5.655 -27.221 7.811 556 3HG2 VAL 82 HG21 VAL 82 -4.499 -28.527 7.997 557 H GLY 83 HN GLY 83 -1.549 -24.359 7.569 558 1HA GLY 83 GLY 83 0.171 -24.129 5.817 559 2HA GLY 83 HA1 GLY 83 -1.036 -23.513 4.722 Start of MODEL 6 Raw file had 559 H/Q atoms Start of MODEL 6 1 H LEU 20 HN LEU 20 -11.247 -34.931 5.976 2 HA LEU 20 HA LEU 20 -9.504 -33.628 5.036 3 1HB LEU 20 HB2 LEU 20 -11.154 -34.062 3.007 4 2HB LEU 20 HB1 LEU 20 -11.659 -32.413 3.251 5 HG LEU 20 HG LEU 20 -10.012 -32.622 1.404 6 1HD1 LEU 20 HD11 LEU 20 -10.105 -30.495 2.658 7 2HD1 LEU 20 HD13 LEU 20 -8.905 -31.078 3.786 8 3HD1 LEU 20 HD12 LEU 20 -8.474 -30.823 2.110 9 1HD2 LEU 20 HD23 LEU 20 -8.674 -34.515 2.279 10 2HD2 LEU 20 HD22 LEU 20 -7.649 -33.151 1.877 11 3HD2 LEU 20 HD21 LEU 20 -8.022 -33.493 3.552 12 H LYS 21 HN LYS 21 -9.772 -32.685 7.266 13 HA LYS 21 HA LYS 21 -10.845 -29.915 7.271 14 1HB LYS 21 HB2 LYS 21 -10.097 -31.801 9.532 15 2HB LYS 21 HB1 LYS 21 -10.495 -30.136 9.803 16 1HG LYS 21 HG2 LYS 21 -12.671 -30.875 8.279 17 2HG LYS 21 HG1 LYS 21 -12.268 -32.431 8.965 18 1HD LYS 21 HD2 LYS 21 -13.739 -31.653 10.626 19 2HD LYS 21 HD1 LYS 21 -12.231 -31.100 11.288 20 1HE LYS 21 HE2 LYS 21 -13.931 -29.294 9.487 21 2HE LYS 21 HE1 LYS 21 -14.149 -29.397 11.223 22 1HZ LYS 21 HZ1 LYS 21 -11.512 -28.972 11.076 23 2HZ LYS 21 HZ3 LYS 21 -12.078 -27.933 9.848 24 3HZ LYS 21 HZ2 LYS 21 -12.708 -27.846 11.411 25 H THR 22 HN THR 22 -9.060 -29.302 5.931 26 HA THR 22 HA THR 22 -6.514 -28.603 7.440 27 HB THR 22 HB THR 22 -5.946 -27.523 5.125 28 HG1 THR 22 HG1 THR 22 -7.466 -29.129 3.702 29 1HG2 THR 22 HG23 THR 22 -6.482 -30.538 5.091 30 2HG2 THR 22 HG22 THR 22 -5.358 -29.677 4.040 31 3HG2 THR 22 HG21 THR 22 -5.029 -29.798 5.756 32 H GLU 23 HN GLU 23 -9.627 -27.617 7.084 33 HA GLU 23 HA GLU 23 -8.778 -24.950 8.059 34 1HB GLU 23 HB2 GLU 23 -10.313 -23.750 6.833 35 2HB GLU 23 HB1 GLU 23 -9.472 -24.699 5.638 36 1HG GLU 23 HG2 GLU 23 -11.387 -25.771 4.971 37 2HG GLU 23 HG1 GLU 23 -12.014 -25.941 6.589 38 CH2 TRP 24 CH2 TRP 24 -6.737 -27.667 10.730 39 H TRP 24 HN TRP 24 -10.234 -23.852 9.238 40 HA TRP 24 HA TRP 24 -12.242 -25.508 10.697 41 1HB TRP 24 HB2 TRP 24 -10.020 -23.621 11.720 42 2HB TRP 24 HB1 TRP 24 -11.228 -24.200 12.761 43 HD1 TRP 24 HD1 TRP 24 -11.500 -26.297 13.397 44 HE1 TRP 24 HE1 TRP 24 -9.944 -28.392 13.269 45 HE3 TRP 24 HE3 TRP 24 -8.139 -24.654 10.176 46 HZ2 TRP 24 HZ2 TRP 24 -7.546 -29.139 12.053 47 HZ3 TRP 24 HZ3 TRP 24 -6.212 -25.993 9.502 48 HH2 TRP 24 HH2 TRP 24 -5.890 -28.283 10.453 49 HA PRO 25 HA PRO 25 -14.534 -21.854 9.443 50 1HB PRO 25 HB2 PRO 25 -16.537 -23.033 8.140 51 2HB PRO 25 HB1 PRO 25 -14.890 -22.995 7.465 52 1HG PRO 25 HG2 PRO 25 -16.077 -25.295 9.009 53 2HG PRO 25 HG1 PRO 25 -15.470 -25.244 7.334 54 1HD PRO 25 HD1 PRO 25 -13.754 -25.919 9.357 55 2HD PRO 25 HD2 PRO 25 -13.159 -24.940 8.043 56 H GLU 26 HN GLU 26 -15.339 -24.803 11.106 57 HA GLU 26 HA GLU 26 -17.670 -23.790 12.452 58 1HB GLU 26 HB2 GLU 26 -17.445 -25.762 13.865 59 2HB GLU 26 HB1 GLU 26 -17.000 -26.225 12.233 60 1HG GLU 26 HG2 GLU 26 -14.765 -25.379 14.102 61 2HG GLU 26 HG1 GLU 26 -15.465 -26.962 14.316 62 H LEU 27 HN LEU 27 -14.639 -22.611 12.565 63 HA LEU 27 HA LEU 27 -14.796 -21.789 15.402 64 1HB LEU 27 HB2 LEU 27 -12.534 -21.631 13.351 65 2HB LEU 27 HB1 LEU 27 -12.392 -21.097 15.017 66 HG LEU 27 HG LEU 27 -12.799 -23.914 13.977 67 1HD1 LEU 27 HD13 LEU 27 -10.348 -22.952 14.053 68 2HD1 LEU 27 HD12 LEU 27 -10.703 -22.600 15.727 69 3HD1 LEU 27 HD11 LEU 27 -10.683 -24.247 15.181 70 1HD2 LEU 27 HD21 LEU 27 -12.758 -22.996 16.875 71 2HD2 LEU 27 HD23 LEU 27 -14.159 -23.642 16.031 72 3HD2 LEU 27 HD22 LEU 27 -12.762 -24.636 16.264 73 H VAL 28 HN VAL 28 -15.699 -20.644 12.375 74 HA VAL 28 HA VAL 28 -14.918 -17.876 12.670 75 HB VAL 28 HB VAL 28 -17.251 -19.100 11.100 76 1HG1 VAL 28 HG11 VAL 28 -15.773 -16.430 10.859 77 2HG1 VAL 28 HG13 VAL 28 -17.041 -16.982 9.765 78 3HG1 VAL 28 HG12 VAL 28 -17.418 -16.609 11.442 79 1HG2 VAL 28 HG23 VAL 28 -14.936 -20.008 10.401 80 2HG2 VAL 28 HG22 VAL 28 -15.672 -18.993 9.182 81 3HG2 VAL 28 HG21 VAL 28 -14.396 -18.362 10.200 82 H GLY 29 HN GLY 29 -15.416 -16.804 14.309 83 1HA GLY 29 HA2 GLY 29 -17.113 -15.395 15.490 84 2HA GLY 29 HA1 GLY 29 -18.194 -16.791 15.475 85 H LYS 30 HN LYS 30 -15.122 -17.842 15.981 86 HA LYS 30 HA LYS 30 -15.400 -17.941 18.926 87 1HB LYS 30 HB2 LYS 30 -13.856 -19.717 17.043 88 2HB LYS 30 HB1 LYS 30 -13.932 -19.998 18.755 89 1HG LYS 30 HG2 LYS 30 -16.285 -20.093 16.793 90 2HG LYS 30 HG1 LYS 30 -15.555 -21.480 17.544 91 1HD LYS 30 HD2 LYS 30 -16.424 -19.538 19.616 92 2HD LYS 30 HD1 LYS 30 -17.748 -19.951 18.561 93 1HE LYS 30 HE2 LYS 30 -17.673 -21.505 20.444 94 2HE LYS 30 HE1 LYS 30 -17.228 -22.383 18.977 95 1HZ LYS 30 HZ1 LYS 30 -14.964 -21.098 20.026 96 2HZ LYS 30 HZ3 LYS 30 -15.599 -21.928 21.297 97 3HZ LYS 30 HZ2 LYS 30 -15.174 -22.772 19.895 98 H SER 31 HN SER 31 -13.228 -18.174 20.135 99 HA SER 31 HA SER 31 -11.247 -16.191 18.960 100 1HB SER 31 HB2 SER 31 -11.079 -15.496 21.162 101 2HB SER 31 HB1 SER 31 -12.070 -16.844 21.611 102 HG SER 31 HG1 SER 31 -9.376 -16.542 21.703 103 H VAL 32 HN VAL 32 -9.275 -16.266 19.678 104 HA VAL 32 HA VAL 32 -8.549 -18.236 17.787 105 HB VAL 32 HB VAL 32 -7.953 -15.877 17.931 106 1HG1 VAL 32 HG12 VAL 32 -6.828 -15.710 20.169 107 2HG1 VAL 32 HG11 VAL 32 -5.541 -16.764 19.620 108 3HG1 VAL 32 HG13 VAL 32 -5.761 -15.183 18.901 109 1HG2 VAL 32 HG21 VAL 32 -5.772 -18.024 17.419 110 2HG2 VAL 32 HG23 VAL 32 -6.972 -17.461 16.263 111 3HG2 VAL 32 HG22 VAL 32 -5.658 -16.423 16.748 112 H GLU 33 HN GLU 33 -7.073 -17.642 21.104 113 HA GLU 33 HA GLU 33 -5.593 -20.133 20.908 114 1HB GLU 33 HB2 GLU 33 -6.493 -18.465 23.311 115 2HB GLU 33 HB1 GLU 33 -5.531 -19.922 23.528 116 1HG GLU 33 HG2 GLU 33 -4.669 -17.502 21.811 117 2HG GLU 33 HG1 GLU 33 -4.002 -17.924 23.375 118 H GLU 34 HN GLU 34 -8.838 -19.454 21.549 119 HA GLU 34 HA GLU 34 -9.573 -22.103 22.528 120 1HB GLU 34 HB2 GLU 34 -11.082 -20.152 22.908 121 2HB GLU 34 HB1 GLU 34 -11.226 -19.928 21.182 122 1HG GLU 34 HG2 GLU 34 -12.131 -22.363 21.000 123 2HG GLU 34 HG1 GLU 34 -12.116 -22.417 22.753 124 H ALA 35 HN ALA 35 -9.810 -20.428 19.414 125 HA ALA 35 HA ALA 35 -10.741 -22.466 17.758 126 1HB ALA 35 HB1 ALA 35 -8.476 -20.420 17.210 127 2HB ALA 35 HB3 ALA 35 -9.329 -21.223 15.930 128 3HB ALA 35 HB2 ALA 35 -10.185 -20.131 16.985 129 H LYS 36 HN LYS 36 -7.518 -21.722 18.741 130 HA LYS 36 HA LYS 36 -6.045 -23.737 17.606 131 1HB LYS 36 HB2 LYS 36 -5.325 -21.680 18.895 132 2HB LYS 36 HB1 LYS 36 -5.783 -22.496 20.362 133 1HG LYS 36 HG2 LYS 36 -4.018 -24.114 20.200 134 2HG LYS 36 HG1 LYS 36 -3.588 -23.575 18.571 135 1HD LYS 36 HD2 LYS 36 -3.199 -21.284 19.431 136 2HD LYS 36 HD1 LYS 36 -3.662 -21.785 21.044 137 1HE LYS 36 HE2 LYS 36 -1.672 -23.040 21.344 138 2HE LYS 36 HE1 LYS 36 -1.221 -22.879 19.637 139 1HZ LYS 36 HZ2 LYS 36 -1.944 -20.370 20.735 140 2HZ LYS 36 HZ1 LYS 36 -0.788 -20.964 21.730 141 3HZ LYS 36 HZ3 LYS 36 -0.487 -20.810 20.004 142 H LYS 37 HN LYS 37 -7.826 -23.639 20.526 143 HA LYS 37 HA LYS 37 -7.097 -26.169 21.417 144 1HB LYS 37 HB2 LYS 37 -8.417 -24.525 22.788 145 2HB LYS 37 HB1 LYS 37 -9.816 -24.817 21.790 146 1HG LYS 37 HG2 LYS 37 -9.883 -27.203 22.495 147 2HG LYS 37 HG1 LYS 37 -8.555 -26.851 23.581 148 1HD LYS 37 HD2 LYS 37 -9.788 -25.326 24.904 149 2HD LYS 37 HD1 LYS 37 -10.969 -24.985 23.670 150 1HE LYS 37 HE2 LYS 37 -10.753 -27.635 25.162 151 2HE LYS 37 HE1 LYS 37 -11.925 -26.358 25.491 152 1HZ LYS 37 HZ3 LYS 37 -11.856 -26.730 22.744 153 2HZ LYS 37 HZ2 LYS 37 -12.025 -28.297 23.386 154 3HZ LYS 37 HZ1 LYS 37 -13.166 -27.083 23.761 155 H VAL 38 HN VAL 38 -9.892 -25.257 19.634 156 HA VAL 38 HA VAL 38 -10.935 -27.913 19.057 157 HB VAL 38 HB VAL 38 -11.142 -25.405 17.344 158 1HG1 VAL 38 HG13 VAL 38 -12.657 -28.077 17.136 159 2HG1 VAL 38 HG12 VAL 38 -13.095 -26.652 16.222 160 3HG1 VAL 38 HG11 VAL 38 -11.563 -27.415 15.931 161 1HG2 VAL 38 HG23 VAL 38 -13.110 -26.586 19.356 162 2HG2 VAL 38 HG22 VAL 38 -12.202 -25.077 19.484 163 3HG2 VAL 38 HG21 VAL 38 -13.449 -25.249 18.265 164 H ILE 39 HN ILE 39 -8.851 -25.895 17.223 165 HA ILE 39 HA ILE 39 -8.493 -27.483 14.912 166 HB ILE 39 HB ILE 39 -6.684 -25.448 16.304 167 1HG1 ILE 39 HG12 ILE 39 -8.716 -25.375 14.044 168 2HG1 ILE 39 HG11 ILE 39 -8.816 -24.551 15.570 169 1HG2 ILE 39 HG23 ILE 39 -5.425 -26.918 14.671 170 2HG2 ILE 39 HG22 ILE 39 -6.656 -26.396 13.436 171 3HG2 ILE 39 HG21 ILE 39 -5.615 -25.247 14.233 172 1HD1 ILE 39 HD1 ILE 39 -6.707 -23.992 13.474 173 2HD1 ILE 39 HD3 ILE 39 -8.225 -23.044 13.768 174 3HD1 ILE 39 HD2 ILE 39 -6.946 -23.105 14.992 175 H LEU 40 HN LEU 40 -6.471 -27.252 17.801 176 HA LEU 40 HA LEU 40 -4.808 -29.455 17.081 177 1HB LEU 40 HB2 LEU 40 -5.551 -27.834 19.546 178 2HB LEU 40 HB1 LEU 40 -4.597 -29.267 19.769 179 HG LEU 40 HG LEU 40 -3.781 -27.623 17.432 180 1HD1 LEU 40 HD12 LEU 40 -3.400 -26.424 20.146 181 2HD1 LEU 40 HD11 LEU 40 -2.559 -25.947 18.664 182 3HD1 LEU 40 HD13 LEU 40 -4.296 -25.805 18.742 183 1HD2 LEU 40 HD22 LEU 40 -2.227 -28.761 19.799 184 2HD2 LEU 40 HD21 LEU 40 -2.451 -29.559 18.251 185 3HD2 LEU 40 HD23 LEU 40 -1.520 -28.084 18.342 186 H GLN 41 HN GLN 41 -7.906 -29.259 18.808 187 HA GLN 41 HA GLN 41 -8.058 -32.035 19.400 188 1HB GLN 41 HB2 GLN 41 -9.641 -30.311 20.314 189 2HB GLN 41 HB1 GLN 41 -10.284 -30.010 18.719 190 1HG GLN 41 HG2 GLN 41 -11.873 -31.442 19.837 191 2HG GLN 41 HG1 GLN 41 -11.101 -32.394 18.582 192 1HE2 GLN 41 HE21 GLN 41 -9.554 -34.511 20.890 193 2HE2 GLN 41 HE22 GLN 41 -9.624 -34.046 19.242 194 H ASP 42 HN ASP 42 -8.336 -30.467 16.446 195 HA ASP 42 HA ASP 42 -9.487 -32.716 14.871 196 1HB ASP 42 HB2 ASP 42 -10.272 -30.313 14.743 197 2HB ASP 42 HB1 ASP 42 -8.731 -29.906 14.039 198 H LYS 43 HN LYS 43 -6.628 -30.726 14.598 199 HA LYS 43 HA LYS 43 -5.285 -32.823 12.916 200 1HB LYS 43 HB2 LYS 43 -6.161 -30.569 11.942 201 2HB LYS 43 HB1 LYS 43 -4.757 -29.836 12.702 202 1HG LYS 43 HG2 LYS 43 -4.443 -32.271 10.923 203 2HG LYS 43 HG1 LYS 43 -4.706 -30.715 10.179 204 1HD LYS 43 HD2 LYS 43 -2.742 -29.746 11.239 205 2HD LYS 43 HD1 LYS 43 -2.514 -31.129 12.262 206 1HE LYS 43 HE2 LYS 43 -2.385 -31.230 9.208 207 2HE LYS 43 HE1 LYS 43 -0.968 -31.078 10.245 208 1HZ LYS 43 HZ2 LYS 43 -2.511 -33.088 11.326 209 2HZ LYS 43 HZ1 LYS 43 -2.364 -33.496 9.630 210 3HZ LYS 43 HZ3 LYS 43 -1.020 -33.209 10.681 211 HA PRO 44 HA PRO 44 -3.587 -33.140 17.238 212 1HB PRO 44 HB2 PRO 44 -2.021 -34.758 15.216 213 2HB PRO 44 HB1 PRO 44 -2.214 -35.096 16.934 214 1HG PRO 44 HG2 PRO 44 -3.956 -36.119 15.088 215 2HG PRO 44 HG1 PRO 44 -4.535 -35.638 16.685 216 1HD PRO 44 HD1 PRO 44 -5.161 -34.386 14.105 217 2HD PRO 44 HD2 PRO 44 -5.833 -33.957 15.691 218 H GLU 45 HN GLU 45 -1.207 -32.522 14.630 219 HA GLU 45 HA GLU 45 0.649 -31.540 16.662 220 1HB GLU 45 HB2 GLU 45 2.318 -31.857 15.017 221 2HB GLU 45 HB1 GLU 45 1.164 -33.140 14.725 222 1HG GLU 45 HG2 GLU 45 0.691 -30.588 13.161 223 2HG GLU 45 HG1 GLU 45 2.070 -31.547 12.715 224 H ALA 46 HN ALA 46 -1.709 -29.940 14.991 225 HA ALA 46 HA ALA 46 -0.597 -27.736 13.777 226 1HB ALA 46 HB2 ALA 46 -3.020 -28.217 14.051 227 2HB ALA 46 HB1 ALA 46 -2.922 -27.779 15.731 228 3HB ALA 46 HB3 ALA 46 -2.687 -26.561 14.503 229 H GLN 47 HN GLN 47 1.366 -26.797 14.507 230 HA GLN 47 HA GLN 47 1.669 -25.773 17.262 231 1HB GLN 47 HB2 GLN 47 3.542 -25.538 14.832 232 2HB GLN 47 HB1 GLN 47 3.977 -25.169 16.483 233 1HG GLN 47 HG2 GLN 47 3.268 -27.948 15.410 234 2HG GLN 47 HG1 GLN 47 4.860 -27.374 15.877 235 1HE2 GLN 47 HE21 GLN 47 2.612 -28.974 18.657 236 2HE2 GLN 47 HE22 GLN 47 2.292 -29.103 16.971 237 H ILE 48 HN ILE 48 -0.266 -24.593 16.698 238 HA ILE 48 HA ILE 48 -0.429 -22.496 14.764 239 HB ILE 48 HB ILE 48 -2.065 -22.970 17.057 240 1HG1 ILE 48 HG12 ILE 48 -2.507 -24.022 14.208 241 2HG1 ILE 48 HG11 ILE 48 -1.903 -24.980 15.548 242 1HG2 ILE 48 HG22 ILE 48 -2.571 -21.330 14.537 243 2HG2 ILE 48 HG21 ILE 48 -3.839 -21.760 15.667 244 3HG2 ILE 48 HG23 ILE 48 -2.542 -20.724 16.178 245 1HD1 ILE 48 HD2 ILE 48 -4.064 -24.484 16.709 246 2HD1 ILE 48 HD1 ILE 48 -4.550 -23.663 15.196 247 3HD1 ILE 48 HD3 ILE 48 -4.078 -25.363 15.209 248 H ILE 49 HN ILE 49 0.109 -20.636 14.647 249 HA ILE 49 HA ILE 49 0.499 -18.750 16.905 250 HB ILE 49 HB ILE 49 1.973 -19.196 14.450 251 1HG1 ILE 49 HG12 ILE 49 4.043 -18.867 15.905 252 2HG1 ILE 49 HG11 ILE 49 2.980 -18.684 17.271 253 1HG2 ILE 49 HG21 ILE 49 2.043 -16.641 16.119 254 2HG2 ILE 49 HG23 ILE 49 3.199 -16.945 14.846 255 3HG2 ILE 49 HG22 ILE 49 1.508 -16.716 14.453 256 1HD1 ILE 49 HD3 ILE 49 3.106 -21.217 15.575 257 2HD1 ILE 49 HD2 ILE 49 3.950 -20.988 17.096 258 3HD1 ILE 49 HD1 ILE 49 2.205 -20.998 17.048 259 H VAL 50 HN VAL 50 -0.814 -17.150 16.809 260 HA VAL 50 HA VAL 50 -2.781 -16.734 14.680 261 HB VAL 50 HB VAL 50 -3.433 -16.547 17.102 262 1HG1 VAL 50 HG11 VAL 50 -1.236 -15.566 17.931 263 2HG1 VAL 50 HG13 VAL 50 -1.630 -14.063 17.127 264 3HG1 VAL 50 HG12 VAL 50 -2.628 -14.650 18.449 265 1HG2 VAL 50 HG23 VAL 50 -4.657 -15.125 15.396 266 2HG2 VAL 50 HG22 VAL 50 -4.618 -14.392 16.993 267 3HG2 VAL 50 HG21 VAL 50 -3.565 -13.801 15.743 268 H LEU 51 HN LEU 51 -3.288 -14.799 13.708 269 HA LEU 51 HA LEU 51 -1.213 -12.671 13.632 270 1HB LEU 51 HB2 LEU 51 -2.418 -14.144 11.279 271 2HB LEU 51 HB1 LEU 51 -1.629 -12.582 11.131 272 HG LEU 51 HG LEU 51 0.226 -14.365 12.433 273 1HD1 LEU 51 HD12 LEU 51 -0.970 -15.553 9.853 274 2HD1 LEU 51 HD11 LEU 51 0.463 -16.154 10.678 275 3HD1 LEU 51 HD13 LEU 51 -1.096 -16.279 11.433 276 1HD2 LEU 51 HD22 LEU 51 0.137 -13.031 9.631 277 2HD2 LEU 51 HD21 LEU 51 0.850 -12.406 11.061 278 3HD2 LEU 51 HD23 LEU 51 1.553 -13.806 10.307 279 HA PRO 52 HA PRO 52 -5.115 -10.480 13.687 280 1HB PRO 52 HB2 PRO 52 -4.292 -7.907 13.499 281 2HB PRO 52 HB1 PRO 52 -3.694 -8.919 14.819 282 1HG PRO 52 HG2 PRO 52 -2.271 -8.238 12.207 283 2HG PRO 52 HG1 PRO 52 -1.645 -8.204 13.846 284 1HD PRO 52 HD1 PRO 52 -1.331 -10.417 12.132 285 2HD PRO 52 HD2 PRO 52 -1.228 -10.509 13.904 286 H VAL 53 HN VAL 53 -6.691 -10.209 12.166 287 HA VAL 53 HA VAL 53 -6.467 -10.840 9.537 288 HB VAL 53 HB VAL 53 -8.333 -9.257 11.028 289 1HG1 VAL 53 HG12 VAL 53 -8.539 -9.886 8.009 290 2HG1 VAL 53 HG11 VAL 53 -9.850 -9.169 8.937 291 3HG1 VAL 53 HG13 VAL 53 -8.397 -8.249 8.625 292 1HG2 VAL 53 HG22 VAL 53 -8.265 -11.781 9.392 293 2HG2 VAL 53 HG21 VAL 53 -8.177 -11.740 11.113 294 3HG2 VAL 53 HG23 VAL 53 -9.680 -11.286 10.309 295 H GLY 54 HN GLY 54 -5.947 -10.267 7.852 296 1HA GLY 54 HA2 GLY 54 -5.601 -8.461 6.069 297 2HA GLY 54 HA1 GLY 54 -5.259 -7.310 7.349 298 H THR 55 HN THR 55 -3.337 -9.158 8.711 299 HA THR 55 HA THR 55 -0.762 -8.641 7.848 300 HB THR 55 HB THR 55 -2.077 -10.789 9.124 301 HG1 THR 55 HG1 THR 55 -2.386 -9.143 10.440 302 1HG2 THR 55 HG22 THR 55 0.645 -9.741 9.352 303 2HG2 THR 55 HG21 THR 55 -0.223 -10.936 10.340 304 3HG2 THR 55 HG23 THR 55 0.158 -11.304 8.632 305 H ILE 56 HN ILE 56 -1.048 -8.697 5.435 306 HA ILE 56 HA ILE 56 -1.735 -10.958 3.921 307 HB ILE 56 HB ILE 56 0.307 -8.794 3.355 308 1HG1 ILE 56 HG12 ILE 56 -2.176 -8.185 3.594 309 2HG1 ILE 56 HG11 ILE 56 -1.462 -7.742 2.061 310 1HG2 ILE 56 HG21 ILE 56 -0.784 -11.012 1.567 311 2HG2 ILE 56 HG23 ILE 56 0.099 -9.617 0.926 312 3HG2 ILE 56 HG22 ILE 56 0.891 -10.765 1.988 313 1HD1 ILE 56 HD2 ILE 56 -3.205 -10.228 2.549 314 2HD1 ILE 56 HD1 ILE 56 -3.718 -8.756 1.749 315 3HD1 ILE 56 HD3 ILE 56 -2.505 -9.772 1.009 316 H VAL 57 HN VAL 57 -1.184 -12.678 4.653 317 HA VAL 57 HA VAL 57 1.674 -13.519 4.935 318 HB VAL 57 HB VAL 57 0.637 -15.754 5.872 319 1HG1 VAL 57 HG13 VAL 57 -0.051 -13.199 7.319 320 2HG1 VAL 57 HG12 VAL 57 0.068 -14.781 8.081 321 3HG1 VAL 57 HG11 VAL 57 1.490 -14.006 7.385 322 1HG2 VAL 57 HG21 VAL 57 -1.388 -15.345 4.716 323 2HG2 VAL 57 HG23 VAL 57 -1.800 -15.818 6.342 324 3HG2 VAL 57 HG22 VAL 57 -1.918 -14.121 5.958 325 H THR 58 HN THR 58 1.543 -16.007 4.339 326 HA THR 58 HA THR 58 1.547 -15.996 1.441 327 HB THR 58 HB THR 58 2.622 -18.189 2.786 328 HG1 THR 58 HG1 THR 58 3.830 -17.390 4.208 329 1HG2 THR 58 HG23 THR 58 3.597 -17.262 0.597 330 2HG2 THR 58 HG22 THR 58 4.064 -15.829 1.510 331 3HG2 THR 58 HG21 THR 58 4.813 -17.381 1.860 332 H MET 59 HN MET 59 0.540 -17.529 0.111 333 HA MET 59 HA MET 59 -1.474 -19.257 1.416 334 1HB MET 59 HB2 MET 59 -0.895 -18.737 -1.544 335 2HB MET 59 HB1 MET 59 -2.293 -19.593 -0.931 336 1HG MET 59 HG2 MET 59 -3.145 -17.394 -1.252 337 2HG MET 59 HG1 MET 59 -2.738 -17.410 0.443 338 1HE MET 59 HE1 MET 59 -1.843 -16.571 -2.994 339 2HE MET 59 HE3 MET 59 -2.548 -15.005 -2.556 340 3HE MET 59 HE2 MET 59 -0.823 -15.160 -2.930 341 H GLU 60 HN GLU 60 1.113 -19.799 1.945 342 HA GLU 60 HA GLU 60 2.236 -21.961 0.433 343 1HB GLU 60 HB2 GLU 60 4.071 -21.536 1.982 344 2HB GLU 60 HB1 GLU 60 3.447 -20.005 1.480 345 1HG GLU 60 HG2 GLU 60 2.025 -19.961 3.605 346 2HG GLU 60 HG1 GLU 60 2.890 -21.373 4.131 347 OH TYR 61 OH TYR 61 -2.832 -28.654 4.483 348 H TYR 61 HN TYR 61 3.305 -23.641 2.201 349 HA TYR 61 HA TYR 61 1.124 -24.730 3.886 350 1HB TYR 61 HB2 TYR 61 1.657 -25.825 1.407 351 2HB TYR 61 HB1 TYR 61 2.573 -26.863 2.528 352 HD1 TYR 61 HD1 TYR 61 1.362 -27.004 4.850 353 HD2 TYR 61 HD2 TYR 61 -0.517 -26.781 1.092 354 HE1 TYR 61 HE1 TYR 61 -0.628 -28.073 5.812 355 HE2 TYR 61 HE2 TYR 61 -2.528 -27.881 2.031 356 HH TYR 61 HH TYR 61 -3.524 -27.997 4.366 357 NH1 ARG 62 NH2 ARG 62 8.519 -21.373 6.091 358 NH2 ARG 62 NH1 ARG 62 8.117 -20.308 4.126 359 H ARG 62 HN ARG 62 2.496 -23.715 5.431 360 HA ARG 62 HA ARG 62 4.881 -25.250 6.301 361 1HB ARG 62 HB2 ARG 62 3.382 -23.054 7.798 362 2HB ARG 62 HB1 ARG 62 5.020 -23.574 8.087 363 1HG ARG 62 HG2 ARG 62 4.028 -22.335 5.590 364 2HG ARG 62 HG1 ARG 62 4.804 -21.387 6.847 365 1HD ARG 62 HD2 ARG 62 6.780 -23.194 6.331 366 2HD ARG 62 HD1 ARG 62 5.876 -23.339 4.822 367 HE ARG 62 HE ARG 62 5.871 -20.732 4.884 368 1HH1 ARG 62 HH21 ARG 62 8.047 -21.880 6.801 369 2HH1 ARG 62 HH22 ARG 62 9.489 -21.171 6.129 370 1HH2 ARG 62 HH11 ARG 62 7.339 -20.092 3.528 371 2HH2 ARG 62 HH12 ARG 62 9.050 -20.008 3.952 372 H ILE 63 HN ILE 63 3.281 -26.947 6.023 373 HA ILE 63 HA ILE 63 0.906 -27.452 7.424 374 HB ILE 63 HB ILE 63 1.861 -28.903 5.651 375 1HG1 ILE 63 HG12 ILE 63 1.676 -31.098 6.566 376 2HG1 ILE 63 HG11 ILE 63 1.652 -30.427 8.194 377 1HG2 ILE 63 HG23 ILE 63 4.198 -28.658 6.285 378 2HG2 ILE 63 HG22 ILE 63 3.938 -29.665 7.702 379 3HG2 ILE 63 HG21 ILE 63 3.767 -30.347 6.077 380 1HD1 ILE 63 HD2 ILE 63 -0.392 -29.212 7.605 381 2HD1 ILE 63 HD1 ILE 63 -0.421 -30.007 6.018 382 3HD1 ILE 63 HD3 ILE 63 -0.632 -30.943 7.475 383 H ASP 64 HN ASP 64 3.554 -26.700 9.158 384 HA ASP 64 HA ASP 64 3.062 -28.240 11.574 385 1HB ASP 64 HB2 ASP 64 5.039 -26.884 12.292 386 2HB ASP 64 HB1 ASP 64 5.358 -27.512 10.686 387 NH1 ARG 65 NH2 ARG 65 3.700 -22.797 13.404 388 NH2 ARG 65 NH1 ARG 65 4.275 -20.618 13.503 389 H ARG 65 HN ARG 65 1.700 -25.706 10.030 390 HA ARG 65 HA ARG 65 0.756 -24.283 12.428 391 1HB ARG 65 HB2 ARG 65 2.614 -23.454 11.056 392 2HB ARG 65 HB1 ARG 65 1.516 -23.282 9.748 393 1HG ARG 65 HG2 ARG 65 0.381 -21.429 10.753 394 2HG ARG 65 HG1 ARG 65 0.974 -21.797 12.375 395 1HD ARG 65 HD2 ARG 65 2.627 -20.734 9.996 396 2HD ARG 65 HD1 ARG 65 2.343 -19.886 11.523 397 HE ARG 65 HE ARG 65 4.234 -22.202 11.113 398 1HH1 ARG 65 HH21 ARG 65 3.531 -23.546 12.759 399 2HH1 ARG 65 HH22 ARG 65 3.712 -22.996 14.377 400 1HH2 ARG 65 HH11 ARG 65 4.347 -19.792 12.964 401 2HH2 ARG 65 HH12 ARG 65 4.499 -20.657 14.470 402 H VAL 66 HN VAL 66 -1.319 -23.346 12.554 403 HA VAL 66 HA VAL 66 -3.030 -23.571 10.135 404 HB VAL 66 HB VAL 66 -4.046 -23.288 12.979 405 1HG1 VAL 66 HG11 VAL 66 -5.178 -24.324 10.338 406 2HG1 VAL 66 HG13 VAL 66 -6.115 -24.281 11.789 407 3HG1 VAL 66 HG12 VAL 66 -5.652 -22.740 11.002 408 1HG2 VAL 66 HG22 VAL 66 -3.852 -25.685 11.205 409 2HG2 VAL 66 HG21 VAL 66 -3.067 -25.545 12.790 410 3HG2 VAL 66 HG23 VAL 66 -4.867 -25.485 12.645 411 NH1 ARG 67 NH1 ARG 67 1.901 -17.980 7.128 412 NH2 ARG 67 NH2 ARG 67 1.302 -19.899 6.382 413 H ARG 67 HN ARG 67 -3.204 -21.596 9.324 414 HA ARG 67 HA ARG 67 -2.093 -19.275 10.766 415 1HB ARG 67 HB2 ARG 67 -2.086 -20.000 8.164 416 2HB ARG 67 HB1 ARG 67 -3.591 -19.127 8.149 417 1HG ARG 67 HG2 ARG 67 -1.989 -17.594 7.473 418 2HG ARG 67 HG1 ARG 67 -2.384 -17.149 9.128 419 1HD ARG 67 HD2 ARG 67 0.062 -17.122 8.706 420 2HD ARG 67 HD1 ARG 67 -0.327 -18.323 9.927 421 HE ARG 67 HE ARG 67 -0.194 -20.076 8.016 422 1HH1 ARG 67 HH11 ARG 67 1.839 -17.172 7.691 423 2HH1 ARG 67 HH12 ARG 67 2.618 -18.093 6.439 424 1HH2 ARG 67 HH21 ARG 67 0.715 -20.715 6.389 425 2HH2 ARG 67 HH22 ARG 67 2.035 -19.861 5.706 426 H LEU 68 HN LEU 68 -3.380 -18.271 12.250 427 HA LEU 68 HA LEU 68 -6.319 -18.343 11.788 428 1HB LEU 68 HB2 LEU 68 -4.592 -18.256 14.282 429 2HB LEU 68 HB1 LEU 68 -6.179 -17.543 14.335 430 HG LEU 68 HG LEU 68 -7.230 -19.694 13.758 431 1HD1 LEU 68 HD13 LEU 68 -4.398 -20.729 13.642 432 2HD1 LEU 68 HD12 LEU 68 -5.825 -21.734 13.500 433 3HD1 LEU 68 HD11 LEU 68 -5.446 -20.563 12.259 434 1HD2 LEU 68 HD23 LEU 68 -5.151 -19.997 15.957 435 2HD2 LEU 68 HD22 LEU 68 -6.805 -19.437 16.119 436 3HD2 LEU 68 HD21 LEU 68 -6.503 -21.079 15.670 437 H PHE 69 HN PHE 69 -6.356 -16.669 10.332 438 HA PHE 69 HA PHE 69 -5.675 -14.041 11.359 439 1HB PHE 69 HB2 PHE 69 -6.916 -15.121 8.704 440 2HB PHE 69 HB1 PHE 69 -7.062 -13.340 9.075 441 HD1 PHE 69 HD2 PHE 69 -5.447 -12.274 10.050 442 HD2 PHE 69 HD1 PHE 69 -4.614 -15.920 7.979 443 HE1 PHE 69 HE2 PHE 69 -3.224 -11.712 10.023 444 HE2 PHE 69 HE1 PHE 69 -2.385 -15.342 7.942 445 HZ PHE 69 HZ PHE 69 -1.538 -13.262 8.757 446 H VAL 70 HN VAL 70 -6.414 -13.439 12.955 447 HA VAL 70 HA VAL 70 -9.358 -13.729 13.609 448 HB VAL 70 HB VAL 70 -8.864 -13.751 15.891 449 1HG1 VAL 70 HG12 VAL 70 -8.075 -15.803 14.869 450 2HG1 VAL 70 HG11 VAL 70 -6.482 -15.081 14.623 451 3HG1 VAL 70 HG13 VAL 70 -7.164 -15.179 16.256 452 1HG2 VAL 70 HG22 VAL 70 -6.035 -12.797 15.289 453 2HG2 VAL 70 HG21 VAL 70 -7.273 -11.795 16.038 454 3HG2 VAL 70 HG23 VAL 70 -6.667 -13.226 16.866 455 H ASP 71 HN ASP 71 -9.990 -11.774 15.280 456 HA ASP 71 HA ASP 71 -9.285 -9.434 13.596 457 1HB ASP 71 HB2 ASP 71 -11.510 -8.673 13.958 458 2HB ASP 71 HB1 ASP 71 -11.656 -10.359 13.999 459 H LYS 72 HN LYS 72 -10.619 -7.975 15.480 460 HA LYS 72 HA LYS 72 -8.367 -6.973 17.053 461 1HB LYS 72 HB2 LYS 72 -11.182 -5.885 16.675 462 2HB LYS 72 HB1 LYS 72 -9.881 -4.940 17.374 463 1HG LYS 72 HG2 LYS 72 -10.130 -4.074 15.159 464 2HG LYS 72 HG1 LYS 72 -8.727 -5.103 15.069 465 1HD LYS 72 HD2 LYS 72 -9.749 -6.710 13.739 466 2HD LYS 72 HD1 LYS 72 -11.351 -6.459 14.381 467 1HE LYS 72 HE2 LYS 72 -9.897 -4.552 12.473 468 2HE LYS 72 HE1 LYS 72 -11.084 -5.743 11.966 469 1HZ LYS 72 HZ2 LYS 72 -12.185 -4.304 14.084 470 2HZ LYS 72 HZ1 LYS 72 -11.610 -3.122 12.981 471 3HZ LYS 72 HZ3 LYS 72 -12.735 -4.271 12.469 472 H LEU 73 HN LEU 73 -10.526 -8.946 17.545 473 HA LEU 73 HA LEU 73 -10.521 -8.824 20.530 474 1HB LEU 73 HB2 LEU 73 -12.724 -9.534 18.653 475 2HB LEU 73 HB1 LEU 73 -12.940 -9.560 20.405 476 HG LEU 73 HG LEU 73 -12.378 -7.167 18.610 477 1HD1 LEU 73 HD13 LEU 73 -14.914 -8.053 20.073 478 2HD1 LEU 73 HD12 LEU 73 -14.772 -6.543 19.178 479 3HD1 LEU 73 HD11 LEU 73 -14.652 -8.080 18.335 480 1HD2 LEU 73 HD21 LEU 73 -13.094 -7.245 21.602 481 2HD2 LEU 73 HD23 LEU 73 -11.529 -6.796 20.950 482 3HD2 LEU 73 HD22 LEU 73 -12.923 -5.771 20.666 483 H ASP 74 HN ASP 74 -8.796 -10.315 18.802 484 HA ASP 74 HA ASP 74 -8.192 -12.476 18.095 485 1HB ASP 74 HB2 ASP 74 -7.175 -12.990 20.154 486 2HB ASP 74 HB1 ASP 74 -8.099 -11.718 20.872 487 H ASN 75 HN ASN 75 -11.042 -12.070 17.670 488 HA ASN 75 HA ASN 75 -11.837 -14.924 17.741 489 1HB ASN 75 HB2 ASN 75 -13.398 -12.304 17.756 490 2HB ASN 75 HB1 ASN 75 -14.245 -13.800 17.387 491 1HD2 ASN 75 HD22 ASN 75 -14.703 -12.637 20.443 492 2HD2 ASN 75 HD21 ASN 75 -13.036 -12.199 20.342 493 H ILE 76 HN ILE 76 -12.619 -15.750 15.977 494 HA ILE 76 HA ILE 76 -11.029 -15.246 13.722 495 HB ILE 76 HB ILE 76 -13.027 -17.313 14.406 496 1HG1 ILE 76 HG12 ILE 76 -10.011 -16.787 14.116 497 2HG1 ILE 76 HG11 ILE 76 -10.898 -16.847 15.653 498 1HG2 ILE 76 HG21 ILE 76 -11.154 -16.981 11.943 499 2HG2 ILE 76 HG23 ILE 76 -12.085 -18.456 12.268 500 3HG2 ILE 76 HG22 ILE 76 -12.891 -16.973 11.811 501 1HD1 ILE 76 HD2 ILE 76 -10.645 -19.061 13.830 502 2HD1 ILE 76 HD1 ILE 76 -9.757 -18.779 15.357 503 3HD1 ILE 76 HD3 ILE 76 -11.530 -18.989 15.386 504 H ALA 77 HN ALA 77 -11.188 -14.301 12.245 505 HA ALA 77 HA ALA 77 -13.576 -12.988 11.268 506 1HB ALA 77 HB2 ALA 77 -11.884 -11.961 12.682 507 2HB ALA 77 HB1 ALA 77 -10.600 -12.502 11.668 508 3HB ALA 77 HB3 ALA 77 -11.678 -11.201 11.085 509 H GLN 78 HN GLN 78 -10.729 -14.632 10.291 510 HA GLN 78 HA GLN 78 -11.783 -14.986 7.468 511 1HB GLN 78 HB2 GLN 78 -8.980 -15.162 8.618 512 2HB GLN 78 HB1 GLN 78 -9.295 -15.525 6.931 513 1HG GLN 78 HG2 GLN 78 -10.119 -13.045 6.711 514 2HG GLN 78 HG1 GLN 78 -9.591 -12.808 8.356 515 1HE2 GLN 78 HE22 GLN 78 -6.491 -13.600 5.830 516 2HE2 GLN 78 HE21 GLN 78 -7.806 -14.683 5.867 517 H VAL 79 HN VAL 79 -11.662 -17.497 6.704 518 HA VAL 79 HA VAL 79 -11.999 -18.999 9.173 519 HB VAL 79 HB VAL 79 -11.850 -20.161 6.310 520 1HG1 VAL 79 HG13 VAL 79 -11.155 -21.868 8.253 521 2HG1 VAL 79 HG12 VAL 79 -12.668 -21.416 9.010 522 3HG1 VAL 79 HG11 VAL 79 -12.672 -22.270 7.479 523 1HG2 VAL 79 HG23 VAL 79 -13.929 -19.888 8.449 524 2HG2 VAL 79 HG22 VAL 79 -13.933 -18.888 6.986 525 3HG2 VAL 79 HG21 VAL 79 -14.246 -20.635 6.884 526 HA PRO 80 HA PRO 80 -7.668 -19.782 9.600 527 1HB PRO 80 HB2 PRO 80 -8.313 -21.847 11.623 528 2HB PRO 80 HB1 PRO 80 -7.592 -20.258 11.833 529 1HG PRO 80 HG2 PRO 80 -10.144 -20.644 12.691 530 2HG PRO 80 HG1 PRO 80 -9.695 -19.142 11.834 531 1HD PRO 80 HD1 PRO 80 -10.798 -21.657 10.531 532 2HD PRO 80 HD2 PRO 80 -11.644 -20.114 10.556 533 NH1 ARG 81 NH2 ARG 81 -9.983 -21.669 6.157 534 NH2 ARG 81 NH1 ARG 81 -9.897 -21.564 3.968 535 H ARG 81 HN ARG 81 -6.117 -21.452 9.033 536 HA ARG 81 HA ARG 81 -7.058 -24.058 8.171 537 1HB ARG 81 HB2 ARG 81 -6.622 -23.798 5.784 538 2HB ARG 81 HB1 ARG 81 -7.960 -22.851 6.367 539 1HG ARG 81 HG2 ARG 81 -6.122 -21.079 6.788 540 2HG ARG 81 HG1 ARG 81 -5.194 -22.038 5.656 541 1HD ARG 81 HD2 ARG 81 -6.449 -20.258 4.346 542 2HD ARG 81 HD1 ARG 81 -7.127 -21.840 3.970 543 HE ARG 81 HE ARG 81 -8.374 -19.907 5.949 544 1HH1 ARG 81 HH22 ARG 81 -9.584 -21.485 7.048 545 2HH1 ARG 81 HH21 ARG 81 -10.846 -22.144 6.052 546 1HH2 ARG 81 HH11 ARG 81 -9.472 -21.260 3.120 547 2HH2 ARG 81 HH12 ARG 81 -10.753 -22.101 3.972 548 H VAL 82 HN VAL 82 -5.420 -25.425 7.328 549 HA VAL 82 HA VAL 82 -2.937 -24.926 8.710 550 HB VAL 82 HB VAL 82 -3.489 -27.253 6.818 551 1HG1 VAL 82 HG12 VAL 82 -1.094 -26.826 7.633 552 2HG1 VAL 82 HG11 VAL 82 -1.744 -26.829 9.285 553 3HG1 VAL 82 HG13 VAL 82 -1.846 -28.288 8.313 554 1HG2 VAL 82 HG21 VAL 82 -4.035 -26.999 9.748 555 2HG2 VAL 82 HG23 VAL 82 -5.206 -27.262 8.465 556 3HG2 VAL 82 HG22 VAL 82 -4.041 -28.517 8.843 557 H GLY 83 HN GLY 83 -1.082 -24.612 7.997 558 1HA GLY 83 GLY 83 0.609 -24.747 6.206 559 2HA GLY 83 HA1 GLY 83 -0.539 -23.892 5.166 Start of MODEL 7 Raw file had 559 H/Q atoms Start of MODEL 7 1 H LEU 20 HN LEU 20 -8.215 -31.745 3.373 2 HA LEU 20 HA LEU 20 -11.089 -32.497 3.088 3 1HB LEU 20 HB2 LEU 20 -8.904 -33.846 4.787 4 2HB LEU 20 HB1 LEU 20 -10.481 -34.500 4.416 5 HG LEU 20 HG LEU 20 -8.250 -33.952 2.400 6 1HD1 LEU 20 HD13 LEU 20 -9.428 -36.535 3.500 7 2HD1 LEU 20 HD12 LEU 20 -8.207 -36.430 2.245 8 3HD1 LEU 20 HD11 LEU 20 -7.833 -35.901 3.873 9 1HD2 LEU 20 HD22 LEU 20 -10.978 -35.263 1.970 10 2HD2 LEU 20 HD21 LEU 20 -10.500 -33.681 1.364 11 3HD2 LEU 20 HD23 LEU 20 -9.699 -35.120 0.777 12 H LYS 21 HN LYS 21 -9.011 -32.199 5.942 13 HA LYS 21 HA LYS 21 -11.099 -30.521 7.267 14 1HB LYS 21 HB2 LYS 21 -11.170 -32.835 8.143 15 2HB LYS 21 HB1 LYS 21 -9.430 -32.869 8.330 16 1HG LYS 21 HG2 LYS 21 -10.573 -32.575 10.515 17 2HG LYS 21 HG1 LYS 21 -9.506 -31.253 10.157 18 1HD LYS 21 HD2 LYS 21 -12.092 -30.394 9.169 19 2HD LYS 21 HD1 LYS 21 -12.414 -31.229 10.680 20 1HE LYS 21 HE2 LYS 21 -10.501 -29.896 11.690 21 2HE LYS 21 HE1 LYS 21 -10.584 -28.885 10.270 22 1HZ LYS 21 HZ2 LYS 21 -13.266 -29.131 11.226 23 2HZ LYS 21 HZ1 LYS 21 -12.223 -28.849 12.539 24 3HZ LYS 21 HZ3 LYS 21 -12.282 -27.805 11.197 25 H THR 22 HN THR 22 -9.239 -29.417 5.740 26 HA THR 22 HA THR 22 -6.936 -28.452 7.444 27 HB THR 22 HB THR 22 -6.147 -27.397 5.281 28 HG1 THR 22 HG1 THR 22 -8.094 -27.266 4.247 29 1HG2 THR 22 HG23 THR 22 -5.493 -29.816 5.939 30 2HG2 THR 22 HG22 THR 22 -6.904 -30.345 5.045 31 3HG2 THR 22 HG21 THR 22 -5.586 -29.553 4.206 32 H GLU 23 HN GLU 23 -9.966 -27.683 7.399 33 HA GLU 23 HA GLU 23 -9.487 -24.762 7.772 34 1HB GLU 23 HB2 GLU 23 -11.631 -24.196 6.787 35 2HB GLU 23 HB1 GLU 23 -10.711 -25.152 5.662 36 1HG GLU 23 HG2 GLU 23 -12.191 -27.019 5.824 37 2HG GLU 23 HG1 GLU 23 -12.701 -26.677 7.452 38 CH2 TRP 24 CH2 TRP 24 -6.952 -27.814 10.831 39 H TRP 24 HN TRP 24 -10.790 -23.797 9.353 40 HA TRP 24 HA TRP 24 -12.435 -25.626 11.061 41 1HB TRP 24 HB2 TRP 24 -10.100 -23.794 11.779 42 2HB TRP 24 HB1 TRP 24 -11.213 -24.214 12.999 43 HD1 TRP 24 HD1 TRP 24 -11.547 -26.284 13.728 44 HE1 TRP 24 HE1 TRP 24 -9.992 -28.417 13.725 45 HE3 TRP 24 HE3 TRP 24 -8.508 -24.897 10.224 46 HZ2 TRP 24 HZ2 TRP 24 -7.561 -29.245 12.276 47 HZ3 TRP 24 HZ3 TRP 24 -6.609 -26.173 9.488 48 HH2 TRP 24 HH2 TRP 24 -6.110 -28.408 10.504 49 HA PRO 25 HA PRO 25 -14.884 -21.996 9.894 50 1HB PRO 25 HB2 PRO 25 -17.019 -23.599 9.115 51 2HB PRO 25 HB1 PRO 25 -15.658 -23.143 8.055 52 1HG PRO 25 HG2 PRO 25 -15.946 -25.726 9.585 53 2HG PRO 25 HG1 PRO 25 -15.626 -25.426 7.858 54 1HD PRO 25 HD1 PRO 25 -13.558 -25.848 9.509 55 2HD PRO 25 HD2 PRO 25 -13.425 -24.573 8.282 56 H GLU 26 HN GLU 26 -15.395 -24.893 11.735 57 HA GLU 26 HA GLU 26 -17.523 -24.328 13.389 58 1HB GLU 26 HB2 GLU 26 -14.887 -25.512 14.162 59 2HB GLU 26 HB1 GLU 26 -16.438 -25.989 14.828 60 1HG GLU 26 HG2 GLU 26 -16.312 -27.739 13.242 61 2HG GLU 26 HG1 GLU 26 -16.683 -26.542 12.024 62 H LEU 27 HN LEU 27 -14.364 -23.037 13.412 63 HA LEU 27 HA LEU 27 -14.412 -21.782 16.029 64 1HB LEU 27 HB2 LEU 27 -12.477 -21.609 13.689 65 2HB LEU 27 HB1 LEU 27 -12.174 -20.898 15.256 66 HG LEU 27 HG LEU 27 -12.471 -23.805 14.548 67 1HD1 LEU 27 HD13 LEU 27 -10.154 -22.141 15.642 68 2HD1 LEU 27 HD12 LEU 27 -10.174 -23.878 15.387 69 3HD1 LEU 27 HD11 LEU 27 -10.182 -22.813 14.025 70 1HD2 LEU 27 HD22 LEU 27 -12.083 -22.555 17.287 71 2HD2 LEU 27 HD21 LEU 27 -13.476 -23.477 16.736 72 3HD2 LEU 27 HD23 LEU 27 -11.921 -24.250 16.840 73 H VAL 28 HN VAL 28 -15.238 -20.622 12.813 74 HA VAL 28 HA VAL 28 -14.724 -17.860 13.282 75 HB VAL 28 HB VAL 28 -17.214 -19.011 11.887 76 1HG1 VAL 28 HG11 VAL 28 -15.534 -16.480 11.382 77 2HG1 VAL 28 HG13 VAL 28 -16.946 -16.951 10.446 78 3HG1 VAL 28 HG12 VAL 28 -17.123 -16.486 12.128 79 1HG2 VAL 28 HG21 VAL 28 -15.094 -20.153 10.955 80 2HG2 VAL 28 HG23 VAL 28 -15.853 -19.093 9.795 81 3HG2 VAL 28 HG22 VAL 28 -14.424 -18.574 10.658 82 H GLY 29 HN GLY 29 -15.698 -16.289 14.457 83 1HA GLY 29 HA2 GLY 29 -17.363 -15.330 15.923 84 2HA GLY 29 HA1 GLY 29 -18.159 -16.893 16.037 85 H LYS 30 HN LYS 30 -15.160 -17.874 16.592 86 HA LYS 30 HA LYS 30 -15.264 -17.343 19.510 87 1HB LYS 30 HB2 LYS 30 -14.028 -19.561 17.925 88 2HB LYS 30 HB1 LYS 30 -13.826 -19.436 19.656 89 1HG LYS 30 HG2 LYS 30 -15.556 -21.084 19.394 90 2HG LYS 30 HG1 LYS 30 -16.397 -19.637 19.921 91 1HD LYS 30 HD2 LYS 30 -17.216 -19.148 17.733 92 2HD LYS 30 HD1 LYS 30 -16.073 -20.237 16.978 93 1HE LYS 30 HE2 LYS 30 -17.180 -22.160 17.898 94 2HE LYS 30 HE1 LYS 30 -18.369 -21.130 18.699 95 1HZ LYS 30 HZ3 LYS 30 -18.092 -20.273 15.995 96 2HZ LYS 30 HZ2 LYS 30 -18.187 -21.940 16.001 97 3HZ LYS 30 HZ1 LYS 30 -19.466 -21.027 16.687 98 H SER 31 HN SER 31 -13.067 -17.401 20.644 99 HA SER 31 HA SER 31 -10.911 -16.088 19.028 100 1HB SER 31 HB2 SER 31 -10.116 -15.860 21.600 101 2HB SER 31 HB1 SER 31 -11.504 -14.888 21.115 102 HG SER 31 HG1 SER 31 -11.385 -17.162 22.684 103 H VAL 32 HN VAL 32 -9.096 -16.132 19.469 104 HA VAL 32 HA VAL 32 -8.198 -18.256 18.259 105 HB VAL 32 HB VAL 32 -7.475 -15.952 18.472 106 1HG1 VAL 32 HG11 VAL 32 -6.286 -16.664 21.194 107 2HG1 VAL 32 HG13 VAL 32 -6.017 -15.138 20.384 108 3HG1 VAL 32 HG12 VAL 32 -7.633 -15.597 20.860 109 1HG2 VAL 32 HG23 VAL 32 -5.109 -17.869 19.116 110 2HG2 VAL 32 HG22 VAL 32 -5.719 -17.517 17.505 111 3HG2 VAL 32 HG21 VAL 32 -4.916 -16.269 18.441 112 H GLU 33 HN GLU 33 -8.190 -18.257 21.793 113 HA GLU 33 HA GLU 33 -6.172 -20.333 22.058 114 1HB GLU 33 HB2 GLU 33 -6.755 -20.162 24.459 115 2HB GLU 33 HB1 GLU 33 -6.677 -18.560 23.786 116 1HG GLU 33 HG2 GLU 33 -9.296 -20.043 24.319 117 2HG GLU 33 HG1 GLU 33 -8.592 -18.842 25.369 118 H GLU 34 HN GLU 34 -9.507 -20.024 22.339 119 HA GLU 34 HA GLU 34 -10.459 -22.571 22.749 120 1HB GLU 34 HB2 GLU 34 -11.587 -20.230 22.545 121 2HB GLU 34 HB1 GLU 34 -11.915 -20.674 20.896 122 1HG GLU 34 HG2 GLU 34 -12.940 -22.068 23.475 123 2HG GLU 34 HG1 GLU 34 -13.888 -21.273 22.247 124 H ALA 35 HN ALA 35 -9.903 -20.767 19.761 125 HA ALA 35 HA ALA 35 -10.147 -22.762 17.830 126 1HB ALA 35 HB3 ALA 35 -8.162 -20.457 17.988 127 2HB ALA 35 HB2 ALA 35 -8.557 -21.291 16.505 128 3HB ALA 35 HB1 ALA 35 -9.796 -20.391 17.365 129 H LYS 36 HN LYS 36 -6.945 -21.958 19.351 130 HA LYS 36 HA LYS 36 -5.490 -23.962 18.095 131 1HB LYS 36 HB2 LYS 36 -5.307 -22.617 20.760 132 2HB LYS 36 HB1 LYS 36 -4.249 -23.973 20.419 133 1HG LYS 36 HG2 LYS 36 -3.095 -22.855 18.670 134 2HG LYS 36 HG1 LYS 36 -4.401 -21.701 18.432 135 1HD LYS 36 HD2 LYS 36 -3.982 -20.622 20.548 136 2HD LYS 36 HD1 LYS 36 -2.848 -21.840 21.062 137 1HE LYS 36 HE2 LYS 36 -2.364 -20.091 18.624 138 2HE LYS 36 HE1 LYS 36 -1.901 -19.567 20.240 139 1HZ LYS 36 HZ1 LYS 36 -1.039 -22.235 19.811 140 2HZ LYS 36 HZ3 LYS 36 -0.457 -21.264 18.555 141 3HZ LYS 36 HZ2 LYS 36 -0.117 -20.861 20.145 142 H LYS 37 HN LYS 37 -7.322 -24.080 21.000 143 HA LYS 37 HA LYS 37 -6.728 -26.638 21.656 144 1HB LYS 37 HB2 LYS 37 -7.862 -25.329 23.252 145 2HB LYS 37 HB1 LYS 37 -9.080 -24.834 22.127 146 1HG LYS 37 HG2 LYS 37 -9.831 -27.436 22.213 147 2HG LYS 37 HG1 LYS 37 -8.767 -27.467 23.586 148 1HD LYS 37 HD2 LYS 37 -11.083 -27.011 24.341 149 2HD LYS 37 HD1 LYS 37 -9.919 -25.720 24.653 150 1HE LYS 37 HE2 LYS 37 -12.242 -25.003 23.819 151 2HE LYS 37 HE1 LYS 37 -10.779 -24.258 23.261 152 1HZ LYS 37 HZ2 LYS 37 -11.409 -26.429 21.504 153 2HZ LYS 37 HZ1 LYS 37 -12.758 -25.370 21.700 154 3HZ LYS 37 HZ3 LYS 37 -11.342 -24.738 21.196 155 H VAL 38 HN VAL 38 -9.449 -25.490 19.817 156 HA VAL 38 HA VAL 38 -10.577 -28.083 19.146 157 HB VAL 38 HB VAL 38 -10.616 -25.613 17.381 158 1HG1 VAL 38 HG11 VAL 38 -11.227 -27.747 16.153 159 2HG1 VAL 38 HG13 VAL 38 -12.441 -28.084 17.370 160 3HG1 VAL 38 HG12 VAL 38 -12.605 -26.695 16.319 161 1HG2 VAL 38 HG23 VAL 38 -12.631 -26.512 19.459 162 2HG2 VAL 38 HG22 VAL 38 -11.614 -25.070 19.442 163 3HG2 VAL 38 HG21 VAL 38 -12.927 -25.218 18.323 164 H ILE 39 HN ILE 39 -8.564 -25.991 17.285 165 HA ILE 39 HA ILE 39 -8.254 -27.581 14.987 166 HB ILE 39 HB ILE 39 -6.315 -25.609 16.276 167 1HG1 ILE 39 HG12 ILE 39 -8.558 -25.349 14.215 168 2HG1 ILE 39 HG11 ILE 39 -8.509 -24.649 15.812 169 1HG2 ILE 39 HG22 ILE 39 -5.396 -27.144 14.527 170 2HG2 ILE 39 HG21 ILE 39 -6.715 -26.516 13.425 171 3HG2 ILE 39 HG23 ILE 39 -5.526 -25.442 14.092 172 1HD1 ILE 39 HD2 ILE 39 -6.523 -23.992 13.595 173 2HD1 ILE 39 HD1 ILE 39 -7.952 -23.000 14.067 174 3HD1 ILE 39 HD3 ILE 39 -6.583 -23.234 15.182 175 H LEU 40 HN LEU 40 -6.321 -27.450 17.887 176 HA LEU 40 HA LEU 40 -4.546 -29.536 17.117 177 1HB LEU 40 HB2 LEU 40 -5.483 -28.310 19.742 178 2HB LEU 40 HB1 LEU 40 -4.234 -29.512 19.685 179 HG LEU 40 HG LEU 40 -4.146 -26.873 18.167 180 1HD1 LEU 40 HD12 LEU 40 -3.870 -26.611 20.610 181 2HD1 LEU 40 HD11 LEU 40 -2.578 -27.801 20.588 182 3HD1 LEU 40 HD13 LEU 40 -2.372 -26.274 19.747 183 1HD2 LEU 40 HD22 LEU 40 -2.015 -29.033 18.531 184 2HD2 LEU 40 HD21 LEU 40 -2.844 -28.677 17.019 185 3HD2 LEU 40 HD23 LEU 40 -1.849 -27.466 17.753 186 H GLN 41 HN GLN 41 -7.668 -29.636 18.786 187 HA GLN 41 HA GLN 41 -7.558 -32.452 19.300 188 1HB GLN 41 HB2 GLN 41 -9.409 -31.054 20.163 189 2HB GLN 41 HB1 GLN 41 -9.940 -30.695 18.532 190 1HG GLN 41 HG2 GLN 41 -10.300 -33.269 18.222 191 2HG GLN 41 HG1 GLN 41 -10.074 -33.387 19.952 192 1HE2 GLN 41 HE22 GLN 41 -13.396 -31.553 18.511 193 2HE2 GLN 41 HE21 GLN 41 -11.971 -31.529 17.562 194 H ASP 42 HN ASP 42 -8.696 -30.758 16.573 195 HA ASP 42 HA ASP 42 -9.275 -33.005 14.862 196 1HB ASP 42 HB2 ASP 42 -8.656 -30.094 14.205 197 2HB ASP 42 HB1 ASP 42 -9.431 -31.218 13.081 198 H LYS 43 HN LYS 43 -6.519 -30.898 14.968 199 HA LYS 43 HA LYS 43 -4.823 -32.852 13.498 200 1HB LYS 43 HB2 LYS 43 -5.564 -30.802 12.245 201 2HB LYS 43 HB1 LYS 43 -4.690 -29.832 13.413 202 1HG LYS 43 HG2 LYS 43 -2.553 -30.871 12.770 203 2HG LYS 43 HG1 LYS 43 -3.367 -32.031 11.735 204 1HD LYS 43 HD2 LYS 43 -4.355 -29.996 10.458 205 2HD LYS 43 HD1 LYS 43 -3.243 -28.996 11.369 206 1HE LYS 43 HE2 LYS 43 -2.291 -31.332 9.707 207 2HE LYS 43 HE1 LYS 43 -2.517 -29.742 9.021 208 1HZ LYS 43 HZ1 LYS 43 -1.011 -29.637 11.503 209 2HZ LYS 43 HZ3 LYS 43 -0.346 -30.727 10.520 210 3HZ LYS 43 HZ2 LYS 43 -0.433 -29.163 9.981 211 HA PRO 44 HA PRO 44 -3.447 -32.607 18.018 212 1HB PRO 44 HB2 PRO 44 -1.983 -34.744 16.432 213 2HB PRO 44 HB1 PRO 44 -2.289 -34.718 18.174 214 1HG PRO 44 HG2 PRO 44 -4.063 -35.991 16.600 215 2HG PRO 44 HG1 PRO 44 -4.689 -34.916 17.854 216 1HD PRO 44 HD1 PRO 44 -4.628 -34.474 14.887 217 2HD PRO 44 HD2 PRO 44 -5.712 -33.769 16.102 218 H GLU 45 HN GLU 45 -1.176 -32.715 15.319 219 HA GLU 45 HA GLU 45 0.935 -31.443 16.821 220 1HB GLU 45 HB2 GLU 45 2.175 -31.947 14.698 221 2HB GLU 45 HB1 GLU 45 1.304 -33.285 15.447 222 1HG GLU 45 HG2 GLU 45 0.957 -33.562 13.098 223 2HG GLU 45 HG1 GLU 45 -0.572 -33.046 13.729 224 H ALA 46 HN ALA 46 -1.580 -29.883 15.353 225 HA ALA 46 HA ALA 46 -0.261 -27.968 13.756 226 1HB ALA 46 HB1 ALA 46 -2.684 -28.467 13.727 227 2HB ALA 46 HB3 ALA 46 -2.956 -27.724 15.270 228 3HB ALA 46 HB2 ALA 46 -2.404 -26.762 13.920 229 H GLN 47 HN GLN 47 1.575 -27.125 14.613 230 HA GLN 47 HA GLN 47 1.744 -25.580 17.095 231 1HB GLN 47 HB2 GLN 47 3.637 -26.852 15.817 232 2HB GLN 47 HB1 GLN 47 3.641 -25.511 14.683 233 1HG GLN 47 HG2 GLN 47 3.998 -23.995 16.871 234 2HG GLN 47 HG1 GLN 47 4.470 -25.514 17.611 235 1HE2 GLN 47 HE22 GLN 47 7.539 -25.665 15.903 236 2HE2 GLN 47 HE21 GLN 47 6.451 -26.516 16.893 237 H ILE 48 HN ILE 48 -0.171 -24.553 16.465 238 HA ILE 48 HA ILE 48 -0.615 -22.762 14.269 239 HB ILE 48 HB ILE 48 -1.907 -23.389 16.744 240 1HG1 ILE 48 HG12 ILE 48 -2.850 -23.915 13.966 241 2HG1 ILE 48 HG11 ILE 48 -1.666 -24.939 14.705 242 1HG2 ILE 48 HG22 ILE 48 -3.046 -21.504 14.598 243 2HG2 ILE 48 HG21 ILE 48 -3.991 -22.197 15.908 244 3HG2 ILE 48 HG23 ILE 48 -2.708 -21.071 16.272 245 1HD1 ILE 48 HD3 ILE 48 -4.470 -24.365 15.700 246 2HD1 ILE 48 HD2 ILE 48 -3.829 -25.767 14.869 247 3HD1 ILE 48 HD1 ILE 48 -3.292 -25.468 16.507 248 H ILE 49 HN ILE 49 -0.606 -20.651 14.040 249 HA ILE 49 HA ILE 49 0.292 -18.908 16.313 250 HB ILE 49 HB ILE 49 1.513 -19.493 13.841 251 1HG1 ILE 49 HG12 ILE 49 3.483 -18.462 14.924 252 2HG1 ILE 49 HG11 ILE 49 2.467 -17.648 16.071 253 1HG2 ILE 49 HG21 ILE 49 0.423 -17.297 13.140 254 2HG2 ILE 49 HG23 ILE 49 1.071 -16.607 14.618 255 3HG2 ILE 49 HG22 ILE 49 2.162 -17.088 13.318 256 1HD1 ILE 49 HD3 ILE 49 2.800 -20.679 16.003 257 2HD1 ILE 49 HD2 ILE 49 3.612 -19.576 17.098 258 3HD1 ILE 49 HD1 ILE 49 1.895 -19.773 17.184 259 H VAL 50 HN VAL 50 -0.386 -16.890 16.248 260 HA VAL 50 HA VAL 50 -3.012 -16.540 14.883 261 HB VAL 50 HB VAL 50 -2.816 -16.505 17.399 262 1HG1 VAL 50 HG13 VAL 50 -0.592 -15.330 17.520 263 2HG1 VAL 50 HG12 VAL 50 -1.345 -13.865 16.935 264 3HG1 VAL 50 HG11 VAL 50 -1.820 -14.536 18.479 265 1HG2 VAL 50 HG22 VAL 50 -3.717 -13.930 16.022 266 2HG2 VAL 50 HG21 VAL 50 -4.677 -15.380 16.245 267 3HG2 VAL 50 HG23 VAL 50 -4.183 -14.422 17.631 268 H LEU 51 HN LEU 51 -3.353 -14.827 13.602 269 HA LEU 51 HA LEU 51 -1.195 -12.830 13.263 270 1HB LEU 51 HB2 LEU 51 -2.580 -14.561 11.136 271 2HB LEU 51 HB1 LEU 51 -1.646 -13.112 10.817 272 HG LEU 51 HG LEU 51 0.012 -14.985 12.330 273 1HD1 LEU 51 HD13 LEU 51 -1.012 -16.210 9.650 274 2HD1 LEU 51 HD12 LEU 51 0.296 -16.869 10.623 275 3HD1 LEU 51 HD11 LEU 51 -1.331 -16.851 11.233 276 1HD2 LEU 51 HD23 LEU 51 0.136 -13.560 9.586 277 2HD2 LEU 51 HD22 LEU 51 0.859 -13.087 11.074 278 3HD2 LEU 51 HD21 LEU 51 1.459 -14.519 10.262 279 HA PRO 52 HA PRO 52 -5.167 -10.712 13.733 280 1HB PRO 52 HB2 PRO 52 -4.426 -8.087 13.505 281 2HB PRO 52 HB1 PRO 52 -3.997 -9.051 14.921 282 1HG PRO 52 HG2 PRO 52 -2.256 -8.571 12.425 283 2HG PRO 52 HG1 PRO 52 -1.840 -8.266 14.108 284 1HD PRO 52 HD1 PRO 52 -1.114 -10.619 12.934 285 2HD PRO 52 HD2 PRO 52 -1.683 -10.637 14.626 286 H VAL 53 HN VAL 53 -6.721 -10.384 12.212 287 HA VAL 53 HA VAL 53 -6.505 -10.875 9.545 288 HB VAL 53 HB VAL 53 -8.392 -9.525 11.211 289 1HG1 VAL 53 HG13 VAL 53 -8.403 -9.592 8.157 290 2HG1 VAL 53 HG12 VAL 53 -9.855 -9.127 9.077 291 3HG1 VAL 53 HG11 VAL 53 -8.432 -8.096 9.070 292 1HG2 VAL 53 HG23 VAL 53 -8.109 -12.000 10.749 293 2HG2 VAL 53 HG22 VAL 53 -9.730 -11.452 10.286 294 3HG2 VAL 53 HG21 VAL 53 -8.459 -11.690 9.085 295 H GLY 54 HN GLY 54 -5.753 -10.185 8.025 296 1HA GLY 54 HA1 GLY 54 -5.268 -8.160 6.437 297 2HA GLY 54 HA2 GLY 54 -4.810 -7.264 7.873 298 H THR 55 HN THR 55 -3.093 -9.406 9.050 299 HA THR 55 HA THR 55 -0.508 -9.023 8.213 300 HB THR 55 HB THR 55 -1.636 -11.446 9.218 301 HG1 THR 55 HG1 THR 55 -2.309 -9.879 10.764 302 1HG2 THR 55 HG21 THR 55 0.616 -11.478 8.876 303 2HG2 THR 55 HG23 THR 55 0.726 -9.981 9.866 304 3HG2 THR 55 HG22 THR 55 -0.080 -11.438 10.532 305 H ILE 56 HN ILE 56 -0.703 -8.897 5.785 306 HA ILE 56 HA ILE 56 -1.499 -11.028 4.126 307 HB ILE 56 HB ILE 56 0.868 -9.204 3.609 308 1HG1 ILE 56 HG12 ILE 56 -1.301 -8.080 4.104 309 2HG1 ILE 56 HG11 ILE 56 -0.724 -7.748 2.480 310 1HG2 ILE 56 HG22 ILE 56 -0.851 -10.940 1.734 311 2HG2 ILE 56 HG21 ILE 56 0.376 -9.809 1.181 312 3HG2 ILE 56 HG23 ILE 56 0.828 -11.229 2.104 313 1HD1 ILE 56 HD1 ILE 56 -2.926 -9.732 3.290 314 2HD1 ILE 56 HD3 ILE 56 -3.169 -8.189 2.501 315 3HD1 ILE 56 HD2 ILE 56 -2.382 -9.486 1.634 316 H VAL 57 HN VAL 57 -1.098 -12.835 4.775 317 HA VAL 57 HA VAL 57 1.719 -13.823 5.079 318 HB VAL 57 HB VAL 57 0.649 -16.025 5.822 319 1HG1 VAL 57 HG13 VAL 57 -0.113 -13.535 7.317 320 2HG1 VAL 57 HG12 VAL 57 -0.145 -15.148 8.021 321 3HG1 VAL 57 HG11 VAL 57 1.366 -14.435 7.485 322 1HG2 VAL 57 HG22 VAL 57 -1.325 -15.660 4.582 323 2HG2 VAL 57 HG21 VAL 57 -1.817 -16.148 6.192 324 3HG2 VAL 57 HG23 VAL 57 -1.961 -14.452 5.814 325 H THR 58 HN THR 58 1.611 -16.259 4.199 326 HA THR 58 HA THR 58 1.762 -15.838 1.359 327 HB THR 58 HB THR 58 2.844 -18.204 2.306 328 HG1 THR 58 HG1 THR 58 3.571 -17.904 4.180 329 1HG2 THR 58 HG21 THR 58 4.017 -16.510 0.687 330 2HG2 THR 58 HG23 THR 58 4.164 -15.447 2.078 331 3HG2 THR 58 HG22 THR 58 5.075 -16.936 2.027 332 H MET 59 HN MET 59 0.907 -17.203 -0.219 333 HA MET 59 HA MET 59 -1.440 -18.784 0.618 334 1HB MET 59 HB2 MET 59 -0.435 -17.873 -2.118 335 2HB MET 59 HB1 MET 59 -1.864 -18.862 -1.909 336 1HG MET 59 HG2 MET 59 -2.726 -17.063 -0.286 337 2HG MET 59 HG1 MET 59 -1.371 -16.097 -0.780 338 1HE MET 59 HE1 MET 59 -4.404 -17.890 -1.573 339 2HE MET 59 HE3 MET 59 -5.337 -16.423 -1.865 340 3HE MET 59 HE2 MET 59 -4.864 -17.486 -3.210 341 H GLU 60 HN GLU 60 1.037 -19.641 1.225 342 HA GLU 60 HA GLU 60 1.947 -21.962 -0.171 343 1HB GLU 60 HB2 GLU 60 3.693 -21.768 1.471 344 2HB GLU 60 HB1 GLU 60 3.309 -20.158 0.967 345 1HG GLU 60 HG2 GLU 60 1.778 -19.875 2.963 346 2HG GLU 60 HG1 GLU 60 2.122 -21.497 3.450 347 OH TYR 61 OH TYR 61 -2.300 -30.082 3.015 348 H TYR 61 HN TYR 61 2.794 -23.454 1.881 349 HA TYR 61 HA TYR 61 0.467 -24.605 3.344 350 1HB TYR 61 HB2 TYR 61 1.027 -25.501 0.955 351 2HB TYR 61 HB1 TYR 61 2.283 -26.444 1.677 352 HD1 TYR 61 HD1 TYR 61 0.546 -26.857 4.380 353 HD2 TYR 61 HD2 TYR 61 0.142 -27.366 0.255 354 HE1 TYR 61 HE1 TYR 61 -1.096 -28.668 4.774 355 HE2 TYR 61 HE2 TYR 61 -1.538 -29.223 0.608 356 HH TYR 61 HH TYR 61 -2.118 -30.802 2.404 357 NH1 ARG 62 NH2 ARG 62 7.948 -20.639 6.018 358 NH2 ARG 62 NH1 ARG 62 7.274 -19.907 4.023 359 H ARG 62 HN ARG 62 1.978 -23.309 5.017 360 HA ARG 62 HA ARG 62 4.274 -25.047 5.887 361 1HB ARG 62 HB2 ARG 62 3.652 -22.231 6.242 362 2HB ARG 62 HB1 ARG 62 3.717 -22.957 7.845 363 1HG ARG 62 HG2 ARG 62 5.947 -22.352 7.433 364 2HG ARG 62 HG1 ARG 62 5.938 -24.063 7.089 365 1HD ARG 62 HD2 ARG 62 7.143 -23.139 5.236 366 2HD ARG 62 HD1 ARG 62 5.524 -23.249 4.561 367 HE ARG 62 HE ARG 62 5.186 -20.827 5.206 368 1HH1 ARG 62 HH21 ARG 62 7.700 -21.226 6.776 369 2HH1 ARG 62 HH22 ARG 62 8.788 -20.110 5.986 370 1HH2 ARG 62 HH11 ARG 62 6.489 -19.963 3.400 371 2HH2 ARG 62 HH12 ARG 62 8.082 -19.362 3.832 372 H ILE 63 HN ILE 63 2.667 -26.554 5.831 373 HA ILE 63 HA ILE 63 0.524 -27.055 7.502 374 HB ILE 63 HB ILE 63 1.277 -28.436 5.536 375 1HG1 ILE 63 HG12 ILE 63 1.319 -30.673 6.329 376 2HG1 ILE 63 HG11 ILE 63 1.556 -30.079 7.981 377 1HG2 ILE 63 HG22 ILE 63 3.719 -28.120 5.943 378 2HG2 ILE 63 HG21 ILE 63 3.600 -29.179 7.331 379 3HG2 ILE 63 HG23 ILE 63 3.343 -29.815 5.713 380 1HD1 ILE 63 HD1 ILE 63 -0.619 -29.113 7.977 381 2HD1 ILE 63 HD3 ILE 63 -0.983 -29.717 6.351 382 3HD1 ILE 63 HD2 ILE 63 -0.721 -30.835 7.663 383 H ASP 64 HN ASP 64 3.439 -26.548 9.019 384 HA ASP 64 HA ASP 64 2.813 -28.408 11.189 385 1HB ASP 64 HB2 ASP 64 4.806 -27.446 12.207 386 2HB ASP 64 HB1 ASP 64 5.172 -27.645 10.507 387 NH1 ARG 65 NH1 ARG 65 4.514 -22.002 14.250 388 NH2 ARG 65 NH2 ARG 65 5.533 -23.332 12.840 389 H ARG 65 HN ARG 65 1.553 -25.635 10.064 390 HA ARG 65 HA ARG 65 0.469 -24.728 12.659 391 1HB ARG 65 HB2 ARG 65 2.423 -23.843 12.016 392 2HB ARG 65 HB1 ARG 65 1.807 -23.380 10.448 393 1HG ARG 65 HG2 ARG 65 0.518 -21.479 11.781 394 2HG ARG 65 HG1 ARG 65 1.175 -22.137 13.251 395 1HD ARG 65 HD2 ARG 65 2.668 -20.642 11.076 396 2HD ARG 65 HD1 ARG 65 2.815 -20.402 12.779 397 HE ARG 65 HE ARG 65 4.013 -22.767 11.301 398 1HH1 ARG 65 HH12 ARG 65 3.774 -21.379 14.448 399 2HH1 ARG 65 HH11 ARG 65 5.204 -22.289 14.921 400 1HH2 ARG 65 HH21 ARG 65 5.617 -23.746 11.927 401 2HH2 ARG 65 HH22 ARG 65 6.175 -23.596 13.558 402 H VAL 66 HN VAL 66 -1.618 -23.722 12.764 403 HA VAL 66 HA VAL 66 -3.072 -23.727 10.146 404 HB VAL 66 HB VAL 66 -4.348 -23.413 12.923 405 1HG1 VAL 66 HG12 VAL 66 -5.528 -24.375 10.267 406 2HG1 VAL 66 HG11 VAL 66 -6.374 -24.319 11.779 407 3HG1 VAL 66 HG13 VAL 66 -5.935 -22.786 10.949 408 1HG2 VAL 66 HG21 VAL 66 -4.057 -25.694 10.978 409 2HG2 VAL 66 HG23 VAL 66 -3.323 -25.648 12.589 410 3HG2 VAL 66 HG22 VAL 66 -5.100 -25.643 12.387 411 NH1 ARG 67 NH1 ARG 67 0.128 -21.105 9.356 412 NH2 ARG 67 NH2 ARG 67 1.304 -21.340 7.539 413 H ARG 67 HN ARG 67 -3.653 -21.766 9.419 414 HA ARG 67 HA ARG 67 -2.221 -19.380 10.470 415 1HB ARG 67 HB2 ARG 67 -2.524 -20.428 7.941 416 2HB ARG 67 HB1 ARG 67 -3.948 -19.442 7.981 417 1HG ARG 67 HG2 ARG 67 -2.319 -18.162 6.918 418 2HG ARG 67 HG1 ARG 67 -2.522 -17.438 8.491 419 1HD ARG 67 HD2 ARG 67 -0.058 -17.744 7.655 420 2HD ARG 67 HD1 ARG 67 -0.337 -18.445 9.241 421 HE ARG 67 HE ARG 67 -0.631 -20.052 6.713 422 1HH1 ARG 67 HH11 ARG 67 -0.615 -20.632 9.807 423 2HH1 ARG 67 HH12 ARG 67 0.655 -21.826 9.799 424 1HH2 ARG 67 HH22 ARG 67 1.451 -21.060 6.583 425 2HH2 ARG 67 HH21 ARG 67 1.870 -22.057 7.937 426 H LEU 68 HN LEU 68 -3.322 -18.144 11.862 427 HA LEU 68 HA LEU 68 -6.264 -18.274 11.744 428 1HB LEU 68 HB2 LEU 68 -4.258 -18.309 13.946 429 2HB LEU 68 HB1 LEU 68 -5.632 -17.279 14.278 430 HG LEU 68 HG LEU 68 -5.840 -20.206 13.392 431 1HD1 LEU 68 HD13 LEU 68 -4.948 -19.887 15.774 432 2HD1 LEU 68 HD12 LEU 68 -6.379 -18.930 16.117 433 3HD1 LEU 68 HD11 LEU 68 -6.539 -20.629 15.736 434 1HD2 LEU 68 HD23 LEU 68 -7.876 -18.196 14.468 435 2HD2 LEU 68 HD22 LEU 68 -7.835 -18.736 12.812 436 3HD2 LEU 68 HD21 LEU 68 -8.196 -19.875 14.094 437 H PHE 69 HN PHE 69 -6.451 -16.646 10.142 438 HA PHE 69 HA PHE 69 -5.809 -13.992 11.133 439 1HB PHE 69 HB2 PHE 69 -7.047 -15.075 8.453 440 2HB PHE 69 HB1 PHE 69 -7.132 -13.301 8.810 441 HD1 PHE 69 HD1 PHE 69 -5.450 -12.345 9.900 442 HD2 PHE 69 HD2 PHE 69 -4.741 -15.958 7.721 443 HE1 PHE 69 HE1 PHE 69 -3.178 -11.852 9.878 444 HE2 PHE 69 HE2 PHE 69 -2.498 -15.460 7.699 445 HZ PHE 69 HZ PHE 69 -1.584 -13.469 8.578 446 H VAL 70 HN VAL 70 -6.478 -13.568 12.733 447 HA VAL 70 HA VAL 70 -9.364 -13.962 13.547 448 HB VAL 70 HB VAL 70 -8.654 -13.678 15.838 449 1HG1 VAL 70 HG13 VAL 70 -8.023 -15.894 14.935 450 2HG1 VAL 70 HG12 VAL 70 -6.455 -15.259 14.469 451 3HG1 VAL 70 HG11 VAL 70 -6.921 -15.303 16.177 452 1HG2 VAL 70 HG23 VAL 70 -6.991 -11.807 15.581 453 2HG2 VAL 70 HG22 VAL 70 -6.365 -13.168 16.504 454 3HG2 VAL 70 HG21 VAL 70 -5.863 -12.936 14.836 455 H ASP 71 HN ASP 71 -10.188 -11.833 14.947 456 HA ASP 71 HA ASP 71 -9.711 -9.680 12.991 457 1HB ASP 71 HB2 ASP 71 -11.772 -8.761 13.802 458 2HB ASP 71 HB1 ASP 71 -11.971 -10.432 13.881 459 H LYS 72 HN LYS 72 -10.603 -7.992 14.985 460 HA LYS 72 HA LYS 72 -7.983 -7.197 16.100 461 1HB LYS 72 HB2 LYS 72 -10.580 -5.646 15.778 462 2HB LYS 72 HB1 LYS 72 -9.065 -4.892 16.270 463 1HG LYS 72 HG2 LYS 72 -9.763 -6.121 13.540 464 2HG LYS 72 HG1 LYS 72 -9.375 -4.451 13.865 465 1HD LYS 72 HD2 LYS 72 -7.030 -5.300 14.662 466 2HD LYS 72 HD1 LYS 72 -7.451 -6.824 13.938 467 1HE LYS 72 HE2 LYS 72 -7.334 -4.208 12.401 468 2HE LYS 72 HE1 LYS 72 -6.050 -5.402 12.445 469 1HZ LYS 72 HZ2 LYS 72 -8.432 -6.744 11.813 470 2HZ LYS 72 HZ1 LYS 72 -8.337 -5.391 10.777 471 3HZ LYS 72 HZ3 LYS 72 -7.087 -6.542 10.793 472 H LEU 73 HN LEU 73 -10.117 -8.919 17.040 473 HA LEU 73 HA LEU 73 -9.829 -8.460 19.972 474 1HB LEU 73 HB2 LEU 73 -12.230 -9.273 18.390 475 2HB LEU 73 HB1 LEU 73 -12.291 -9.045 20.142 476 HG LEU 73 HG LEU 73 -11.732 -6.893 18.032 477 1HD1 LEU 73 HD12 LEU 73 -14.297 -7.507 19.570 478 2HD1 LEU 73 HD11 LEU 73 -14.075 -6.118 18.510 479 3HD1 LEU 73 HD13 LEU 73 -14.020 -7.744 17.852 480 1HD2 LEU 73 HD21 LEU 73 -10.846 -6.371 20.347 481 2HD2 LEU 73 HD23 LEU 73 -12.155 -5.286 19.910 482 3HD2 LEU 73 HD22 LEU 73 -12.458 -6.617 21.011 483 H ASP 74 HN ASP 74 -8.390 -10.195 18.098 484 HA ASP 74 HA ASP 74 -8.015 -12.302 17.461 485 1HB ASP 74 HB2 ASP 74 -7.037 -13.132 19.610 486 2HB ASP 74 HB1 ASP 74 -6.553 -11.528 19.208 487 H ASN 75 HN ASN 75 -10.616 -12.090 17.340 488 HA ASN 75 HA ASN 75 -11.639 -14.807 17.934 489 1HB ASN 75 HB2 ASN 75 -12.906 -12.083 17.672 490 2HB ASN 75 HB1 ASN 75 -13.915 -13.465 17.323 491 1HD2 ASN 75 HD21 ASN 75 -14.054 -12.003 20.379 492 2HD2 ASN 75 HD22 ASN 75 -12.342 -12.023 20.172 493 H ILE 76 HN ILE 76 -12.581 -15.848 16.169 494 HA ILE 76 HA ILE 76 -11.067 -15.494 13.781 495 HB ILE 76 HB ILE 76 -12.997 -17.570 14.648 496 1HG1 ILE 76 HG12 ILE 76 -10.002 -16.796 14.531 497 2HG1 ILE 76 HG11 ILE 76 -11.013 -16.995 15.985 498 1HG2 ILE 76 HG21 ILE 76 -11.073 -17.243 12.212 499 2HG2 ILE 76 HG23 ILE 76 -11.935 -18.751 12.580 500 3HG2 ILE 76 HG22 ILE 76 -12.787 -17.329 12.037 501 1HD1 ILE 76 HD2 ILE 76 -11.330 -19.113 15.801 502 2HD1 ILE 76 HD1 ILE 76 -10.358 -19.189 14.297 503 3HD1 ILE 76 HD3 ILE 76 -9.590 -18.759 15.871 504 H ALA 77 HN ALA 77 -11.426 -14.474 12.396 505 HA ALA 77 HA ALA 77 -13.932 -13.290 11.540 506 1HB ALA 77 HB3 ALA 77 -12.228 -12.168 12.815 507 2HB ALA 77 HB2 ALA 77 -10.984 -12.685 11.738 508 3HB ALA 77 HB1 ALA 77 -12.150 -11.432 11.192 509 H GLN 78 HN GLN 78 -11.114 -14.842 10.402 510 HA GLN 78 HA GLN 78 -12.327 -15.288 7.667 511 1HB GLN 78 HB2 GLN 78 -9.527 -14.678 8.629 512 2HB GLN 78 HB1 GLN 78 -9.610 -15.903 7.390 513 1HG GLN 78 HG2 GLN 78 -9.244 -13.866 6.166 514 2HG GLN 78 HG1 GLN 78 -10.950 -14.157 5.955 515 1HE2 GLN 78 HE21 GLN 78 -11.774 -11.312 7.998 516 2HE2 GLN 78 HE22 GLN 78 -12.335 -12.911 7.795 517 H VAL 79 HN VAL 79 -11.996 -17.848 7.064 518 HA VAL 79 HA VAL 79 -12.229 -19.169 9.640 519 HB VAL 79 HB VAL 79 -12.084 -20.435 6.824 520 1HG1 VAL 79 HG11 VAL 79 -12.872 -21.634 9.525 521 2HG1 VAL 79 HG13 VAL 79 -12.890 -22.490 7.984 522 3HG1 VAL 79 HG12 VAL 79 -11.353 -22.041 8.692 523 1HG2 VAL 79 HG22 VAL 79 -14.186 -20.128 8.954 524 2HG2 VAL 79 HG21 VAL 79 -14.196 -19.107 7.506 525 3HG2 VAL 79 HG23 VAL 79 -14.502 -20.854 7.384 526 HA PRO 80 HA PRO 80 -7.880 -20.033 10.153 527 1HB PRO 80 HB2 PRO 80 -8.706 -22.388 11.827 528 2HB PRO 80 HB1 PRO 80 -7.797 -20.981 12.311 529 1HG PRO 80 HG2 PRO 80 -10.404 -21.048 13.142 530 2HG PRO 80 HG1 PRO 80 -9.841 -19.568 12.352 531 1HD PRO 80 HD1 PRO 80 -11.115 -21.910 10.910 532 2HD PRO 80 HD2 PRO 80 -11.856 -20.322 11.042 533 NH1 ARG 81 NH2 ARG 81 -2.647 -20.802 3.463 534 NH2 ARG 81 NH1 ARG 81 -2.310 -23.002 3.540 535 H ARG 81 HN ARG 81 -6.415 -21.369 9.040 536 HA ARG 81 HA ARG 81 -7.500 -23.819 7.762 537 1HB ARG 81 HB2 ARG 81 -7.484 -23.033 5.574 538 2HB ARG 81 HB1 ARG 81 -7.941 -21.593 6.449 539 1HG ARG 81 HG2 ARG 81 -6.171 -20.637 5.379 540 2HG ARG 81 HG1 ARG 81 -5.414 -21.424 6.766 541 1HD ARG 81 HD2 ARG 81 -5.179 -23.548 5.177 542 2HD ARG 81 HD1 ARG 81 -5.469 -22.407 3.879 543 HE ARG 81 HE ARG 81 -3.218 -21.953 5.819 544 1HH1 ARG 81 HH21 ARG 81 -3.151 -20.024 3.825 545 2HH1 ARG 81 HH22 ARG 81 -1.976 -20.708 2.728 546 1HH2 ARG 81 HH12 ARG 81 -2.613 -23.835 3.994 547 2HH2 ARG 81 HH11 ARG 81 -1.619 -22.993 2.825 548 H VAL 82 HN VAL 82 -5.881 -25.310 6.977 549 HA VAL 82 HA VAL 82 -3.420 -24.960 8.554 550 HB VAL 82 HB VAL 82 -3.926 -27.141 6.550 551 1HG1 VAL 82 HG13 VAL 82 -1.535 -26.761 7.416 552 2HG1 VAL 82 HG12 VAL 82 -2.181 -26.915 9.052 553 3HG1 VAL 82 HG11 VAL 82 -2.283 -28.252 7.894 554 1HG2 VAL 82 HG22 VAL 82 -4.481 -27.017 9.493 555 2HG2 VAL 82 HG21 VAL 82 -5.652 -27.140 8.177 556 3HG2 VAL 82 HG23 VAL 82 -4.574 -28.485 8.513 557 H GLY 83 HN GLY 83 -1.451 -24.332 7.953 558 1HA GLY 83 HA1 GLY 83 0.341 -24.392 6.409 559 2HA GLY 83 GLY 83 -0.763 -24.473 5.064 Start of MODEL 8 Raw file had 559 H/Q atoms Start of MODEL 8 1 H LEU 20 HN LEU 20 -9.533 -33.939 3.692 2 HA LEU 20 HA LEU 20 -7.413 -31.867 3.284 3 1HB LEU 20 HB2 LEU 20 -9.154 -32.807 1.449 4 2HB LEU 20 HB1 LEU 20 -10.271 -31.708 2.224 5 HG LEU 20 HG LEU 20 -7.594 -30.901 1.001 6 1HD1 LEU 20 HD13 LEU 20 -10.459 -30.545 0.022 7 2HD1 LEU 20 HD12 LEU 20 -9.042 -29.881 -0.775 8 3HD1 LEU 20 HD11 LEU 20 -9.257 -31.616 -0.682 9 1HD2 LEU 20 HD23 LEU 20 -9.883 -29.161 2.075 10 2HD2 LEU 20 HD22 LEU 20 -8.323 -29.336 2.830 11 3HD2 LEU 20 HD21 LEU 20 -8.441 -28.570 1.265 12 H LYS 21 HN LYS 21 -7.902 -32.251 5.853 13 HA LYS 21 HA LYS 21 -9.750 -30.078 6.669 14 1HB LYS 21 HB2 LYS 21 -9.883 -32.719 7.436 15 2HB LYS 21 HB1 LYS 21 -8.826 -32.095 8.696 16 1HG LYS 21 HG2 LYS 21 -11.558 -30.913 7.929 17 2HG LYS 21 HG1 LYS 21 -11.197 -31.821 9.399 18 1HD LYS 21 HD2 LYS 21 -9.613 -30.108 10.134 19 2HD LYS 21 HD1 LYS 21 -9.837 -29.146 8.705 20 1HE LYS 21 HE2 LYS 21 -12.209 -29.795 10.460 21 2HE LYS 21 HE1 LYS 21 -11.134 -28.471 10.788 22 1HZ LYS 21 HZ1 LYS 21 -11.673 -28.285 8.066 23 2HZ LYS 21 HZ3 LYS 21 -13.209 -28.438 8.918 24 3HZ LYS 21 HZ2 LYS 21 -12.095 -27.262 9.316 25 H THR 22 HN THR 22 -8.083 -28.991 5.901 26 HA THR 22 HA THR 22 -5.733 -28.443 7.674 27 HB THR 22 HB THR 22 -4.506 -27.551 5.651 28 HG1 THR 22 HG1 THR 22 -7.068 -27.914 4.613 29 1HG2 THR 22 HG22 THR 22 -4.330 -30.053 6.063 30 2HG2 THR 22 HG21 THR 22 -5.711 -30.252 4.985 31 3HG2 THR 22 HG23 THR 22 -4.212 -29.577 4.371 32 H GLU 23 HN GLU 23 -8.478 -27.447 7.422 33 HA GLU 23 HA GLU 23 -8.075 -24.582 7.969 34 1HB GLU 23 HB2 GLU 23 -9.646 -23.817 6.232 35 2HB GLU 23 HB1 GLU 23 -8.411 -24.793 5.458 36 1HG GLU 23 HG2 GLU 23 -11.245 -25.677 6.202 37 2HG GLU 23 HG1 GLU 23 -10.579 -25.583 4.586 38 CH2 TRP 24 CH2 TRP 24 -6.795 -27.846 10.982 39 H TRP 24 HN TRP 24 -9.960 -23.462 8.875 40 HA TRP 24 HA TRP 24 -11.934 -25.381 10.041 41 1HB TRP 24 HB2 TRP 24 -9.807 -23.890 11.586 42 2HB TRP 24 HB1 TRP 24 -11.234 -24.275 12.368 43 HD1 TRP 24 HD1 TRP 24 -11.890 -26.463 12.796 44 HE1 TRP 24 HE1 TRP 24 -10.377 -28.666 12.970 45 HE3 TRP 24 HE3 TRP 24 -8.089 -24.822 10.362 46 HZ2 TRP 24 HZ2 TRP 24 -7.715 -29.404 12.065 47 HZ3 TRP 24 HZ3 TRP 24 -6.140 -26.080 9.962 48 HH2 TRP 24 HH2 TRP 24 -5.909 -28.426 10.790 49 HA PRO 25 HA PRO 25 -14.202 -21.487 9.087 50 1HB PRO 25 HB2 PRO 25 -15.908 -23.695 7.961 51 2HB PRO 25 HB1 PRO 25 -15.484 -22.082 7.292 52 1HG PRO 25 HG2 PRO 25 -14.288 -24.183 6.203 53 2HG PRO 25 HG1 PRO 25 -13.288 -22.797 6.649 54 1HD PRO 25 HD1 PRO 25 -13.779 -25.304 8.368 55 2HD PRO 25 HD2 PRO 25 -12.240 -24.595 7.853 56 H GLU 26 HN GLU 26 -15.151 -24.559 10.448 57 HA GLU 26 HA GLU 26 -17.515 -23.831 11.720 58 1HB GLU 26 HB2 GLU 26 -15.324 -25.596 12.796 59 2HB GLU 26 HB1 GLU 26 -17.047 -25.858 13.020 60 1HG GLU 26 HG2 GLU 26 -16.605 -27.458 11.297 61 2HG GLU 26 HG1 GLU 26 -16.856 -26.089 10.243 62 H LEU 27 HN LEU 27 -14.248 -22.980 12.455 63 HA LEU 27 HA LEU 27 -14.746 -22.129 15.190 64 1HB LEU 27 HB2 LEU 27 -12.326 -21.765 13.359 65 2HB LEU 27 HB1 LEU 27 -12.313 -21.550 15.096 66 HG LEU 27 HG LEU 27 -12.797 -24.140 13.550 67 1HD1 LEU 27 HD12 LEU 27 -10.338 -23.462 13.941 68 2HD1 LEU 27 HD11 LEU 27 -10.713 -23.445 15.644 69 3HD1 LEU 27 HD13 LEU 27 -10.855 -24.930 14.746 70 1HD2 LEU 27 HD21 LEU 27 -12.937 -23.751 16.561 71 2HD2 LEU 27 HD23 LEU 27 -14.291 -24.155 15.504 72 3HD2 LEU 27 HD22 LEU 27 -12.966 -25.268 15.667 73 H VAL 28 HN VAL 28 -14.932 -20.455 12.088 74 HA VAL 28 HA VAL 28 -14.425 -17.798 12.925 75 HB VAL 28 HB VAL 28 -16.751 -18.741 11.094 76 1HG1 VAL 28 HG13 VAL 28 -15.443 -15.981 11.255 77 2HG1 VAL 28 HG12 VAL 28 -16.609 -16.468 10.033 78 3HG1 VAL 28 HG11 VAL 28 -17.089 -16.394 11.718 79 1HG2 VAL 28 HG23 VAL 28 -13.890 -18.006 10.183 80 2HG2 VAL 28 HG22 VAL 28 -14.721 -19.534 9.922 81 3HG2 VAL 28 HG21 VAL 28 -15.276 -18.132 9.105 82 H GLY 29 HN GLY 29 -15.504 -16.300 14.194 83 1HA GLY 29 HA2 GLY 29 -17.449 -15.553 15.488 84 2HA GLY 29 HA1 GLY 29 -18.088 -17.184 15.455 85 H LYS 30 HN LYS 30 -15.150 -18.016 16.194 86 HA LYS 30 HA LYS 30 -15.461 -17.545 19.112 87 1HB LYS 30 HB2 LYS 30 -14.265 -19.803 17.530 88 2HB LYS 30 HB1 LYS 30 -14.138 -19.675 19.283 89 1HG LYS 30 HG2 LYS 30 -16.457 -19.934 19.672 90 2HG LYS 30 HG1 LYS 30 -16.942 -19.339 18.109 91 1HD LYS 30 HD2 LYS 30 -15.517 -21.827 17.661 92 2HD LYS 30 HD1 LYS 30 -16.512 -22.071 19.079 93 1HE LYS 30 HE2 LYS 30 -17.854 -22.646 17.085 94 2HE LYS 30 HE1 LYS 30 -18.496 -21.165 17.795 95 1HZ LYS 30 HZ3 LYS 30 -16.386 -20.417 16.102 96 2HZ LYS 30 HZ2 LYS 30 -17.306 -21.530 15.233 97 3HZ LYS 30 HZ1 LYS 30 -18.004 -20.101 15.785 98 H SER 31 HN SER 31 -13.442 -17.558 20.407 99 HA SER 31 HA SER 31 -11.206 -16.082 19.042 100 1HB SER 31 HB2 SER 31 -10.537 -15.977 21.654 101 2HB SER 31 HB1 SER 31 -11.952 -15.040 21.197 102 HG SER 31 HG1 SER 31 -11.870 -17.282 22.755 103 H VAL 32 HN VAL 32 -9.408 -16.080 19.355 104 HA VAL 32 HA VAL 32 -8.459 -18.130 18.139 105 HB VAL 32 HB VAL 32 -7.770 -15.720 18.657 106 1HG1 VAL 32 HG12 VAL 32 -7.589 -15.679 21.049 107 2HG1 VAL 32 HG11 VAL 32 -6.221 -16.783 21.047 108 3HG1 VAL 32 HG13 VAL 32 -6.049 -15.161 20.394 109 1HG2 VAL 32 HG23 VAL 32 -5.332 -17.592 18.642 110 2HG2 VAL 32 HG22 VAL 32 -6.151 -16.923 17.226 111 3HG2 VAL 32 HG21 VAL 32 -5.232 -15.876 18.298 112 H GLU 33 HN GLU 33 -7.834 -18.001 21.689 113 HA GLU 33 HA GLU 33 -6.475 -20.565 21.551 114 1HB GLU 33 HB2 GLU 33 -7.775 -19.107 23.924 115 2HB GLU 33 HB1 GLU 33 -6.869 -20.585 24.133 116 1HG GLU 33 HG2 GLU 33 -5.757 -17.858 23.266 117 2HG GLU 33 HG1 GLU 33 -5.264 -18.824 24.639 118 H GLU 34 HN GLU 34 -9.761 -19.831 21.653 119 HA GLU 34 HA GLU 34 -10.597 -22.503 22.452 120 1HB GLU 34 HB2 GLU 34 -12.191 -20.280 21.097 121 2HB GLU 34 HB1 GLU 34 -12.868 -21.695 21.907 122 1HG GLU 34 HG2 GLU 34 -11.226 -19.476 23.207 123 2HG GLU 34 HG1 GLU 34 -12.908 -19.857 23.523 124 H ALA 35 HN ALA 35 -10.469 -20.646 19.386 125 HA ALA 35 HA ALA 35 -11.267 -22.767 17.650 126 1HB ALA 35 HB3 ALA 35 -9.034 -20.679 17.164 127 2HB ALA 35 HB2 ALA 35 -9.820 -21.569 15.882 128 3HB ALA 35 HB1 ALA 35 -10.739 -20.428 16.862 129 H LYS 36 HN LYS 36 -8.187 -21.989 19.099 130 HA LYS 36 HA LYS 36 -6.597 -23.865 17.839 131 1HB LYS 36 HB2 LYS 36 -5.836 -21.921 19.153 132 2HB LYS 36 HB1 LYS 36 -6.503 -22.602 20.616 133 1HG LYS 36 HG2 LYS 36 -4.900 -24.540 20.418 134 2HG LYS 36 HG1 LYS 36 -4.189 -23.740 19.011 135 1HD LYS 36 HD2 LYS 36 -4.448 -22.247 21.630 136 2HD LYS 36 HD1 LYS 36 -3.096 -23.328 21.377 137 1HE LYS 36 HE2 LYS 36 -2.417 -22.011 19.396 138 2HE LYS 36 HE1 LYS 36 -3.862 -20.997 19.560 139 1HZ LYS 36 HZ2 LYS 36 -2.669 -21.083 22.050 140 2HZ LYS 36 HZ1 LYS 36 -1.400 -20.721 20.929 141 3HZ LYS 36 HZ3 LYS 36 -2.839 -19.787 21.091 142 H LYS 37 HN LYS 37 -8.407 -24.097 20.735 143 HA LYS 37 HA LYS 37 -7.593 -26.642 21.431 144 1HB LYS 37 HB2 LYS 37 -10.252 -25.270 21.844 145 2HB LYS 37 HB1 LYS 37 -9.938 -26.856 22.551 146 1HG LYS 37 HG2 LYS 37 -8.116 -26.099 23.813 147 2HG LYS 37 HG1 LYS 37 -7.948 -24.619 22.889 148 1HD LYS 37 HD2 LYS 37 -10.378 -24.091 23.785 149 2HD LYS 37 HD1 LYS 37 -10.047 -25.338 24.968 150 1HE LYS 37 HE2 LYS 37 -8.046 -24.208 25.726 151 2HE LYS 37 HE1 LYS 37 -8.125 -23.067 24.396 152 1HZ LYS 37 HZ2 LYS 37 -10.608 -22.871 25.652 153 2HZ LYS 37 HZ1 LYS 37 -9.470 -22.853 26.903 154 3HZ LYS 37 HZ3 LYS 37 -9.446 -21.750 25.605 155 H VAL 38 HN VAL 38 -10.250 -25.710 19.466 156 HA VAL 38 HA VAL 38 -11.088 -28.399 18.734 157 HB VAL 38 HB VAL 38 -11.395 -25.872 17.089 158 1HG1 VAL 38 HG13 VAL 38 -12.735 -28.615 16.933 159 2HG1 VAL 38 HG12 VAL 38 -13.273 -27.230 16.014 160 3HG1 VAL 38 HG11 VAL 38 -11.669 -27.871 15.738 161 1HG2 VAL 38 HG21 VAL 38 -13.302 -27.091 19.126 162 2HG2 VAL 38 HG23 VAL 38 -12.446 -25.562 19.234 163 3HG2 VAL 38 HG22 VAL 38 -13.695 -25.776 18.021 164 H ILE 39 HN ILE 39 -9.076 -26.101 17.059 165 HA ILE 39 HA ILE 39 -8.551 -27.624 14.751 166 HB ILE 39 HB ILE 39 -6.782 -25.615 16.242 167 1HG1 ILE 39 HG12 ILE 39 -8.732 -25.523 13.886 168 2HG1 ILE 39 HG11 ILE 39 -8.941 -24.809 15.458 169 1HG2 ILE 39 HG22 ILE 39 -5.698 -27.290 14.445 170 2HG2 ILE 39 HG21 ILE 39 -6.744 -26.372 13.320 171 3HG2 ILE 39 HG23 ILE 39 -5.495 -25.589 14.324 172 1HD1 ILE 39 HD2 ILE 39 -6.669 -24.068 13.615 173 2HD1 ILE 39 HD1 ILE 39 -8.249 -23.192 13.751 174 3HD1 ILE 39 HD3 ILE 39 -7.179 -23.273 15.144 175 H LEU 40 HN LEU 40 -6.622 -27.332 17.705 176 HA LEU 40 HA LEU 40 -4.806 -29.418 16.904 177 1HB LEU 40 HB2 LEU 40 -5.520 -27.812 19.378 178 2HB LEU 40 HB1 LEU 40 -4.417 -29.143 19.531 179 HG LEU 40 HG LEU 40 -3.982 -27.361 17.115 180 1HD1 LEU 40 HD11 LEU 40 -3.246 -26.446 19.896 181 2HD1 LEU 40 HD13 LEU 40 -2.734 -25.717 18.365 182 3HD1 LEU 40 HD12 LEU 40 -4.435 -25.741 18.785 183 1HD2 LEU 40 HD22 LEU 40 -2.108 -28.624 19.162 184 2HD2 LEU 40 HD21 LEU 40 -2.535 -29.324 17.614 185 3HD2 LEU 40 HD23 LEU 40 -1.605 -27.845 17.673 186 H GLN 41 HN GLN 41 -7.965 -29.433 18.313 187 HA GLN 41 HA GLN 41 -7.904 -32.176 19.213 188 1HB GLN 41 HB2 GLN 41 -9.746 -30.604 19.907 189 2HB GLN 41 HB1 GLN 41 -10.253 -30.425 18.250 190 1HG GLN 41 HG2 GLN 41 -11.809 -31.943 19.249 191 2HG GLN 41 HG1 GLN 41 -10.843 -32.867 18.117 192 1HE2 GLN 41 HE21 GLN 41 -9.333 -34.735 20.683 193 2HE2 GLN 41 HE22 GLN 41 -9.171 -34.291 19.039 194 H ASP 42 HN ASP 42 -8.244 -30.668 16.225 195 HA ASP 42 HA ASP 42 -8.918 -33.063 14.601 196 1HB ASP 42 HB2 ASP 42 -10.165 -30.943 14.564 197 2HB ASP 42 HB1 ASP 42 -8.754 -30.110 13.993 198 H LYS 43 HN LYS 43 -6.448 -30.591 14.322 199 HA LYS 43 HA LYS 43 -4.769 -32.449 12.650 200 1HB LYS 43 HB2 LYS 43 -5.737 -30.412 11.499 201 2HB LYS 43 HB1 LYS 43 -4.672 -29.419 12.482 202 1HG LYS 43 HG2 LYS 43 -3.249 -29.816 10.615 203 2HG LYS 43 HG1 LYS 43 -2.794 -31.137 11.645 204 1HD LYS 43 HD2 LYS 43 -4.538 -32.619 10.519 205 2HD LYS 43 HD1 LYS 43 -4.979 -31.272 9.493 206 1HE LYS 43 HE2 LYS 43 -3.488 -32.749 8.269 207 2HE LYS 43 HE1 LYS 43 -2.636 -31.233 8.619 208 1HZ LYS 43 HZ3 LYS 43 -2.318 -32.955 10.868 209 2HZ LYS 43 HZ2 LYS 43 -1.857 -33.835 9.496 210 3HZ LYS 43 HZ1 LYS 43 -1.151 -32.377 9.877 211 HA PRO 44 HA PRO 44 -2.824 -32.143 16.872 212 1HB PRO 44 HB2 PRO 44 -1.464 -34.112 15.008 213 2HB PRO 44 HB1 PRO 44 -1.435 -34.133 16.783 214 1HG PRO 44 HG2 PRO 44 -3.412 -35.505 15.628 215 2HG PRO 44 HG1 PRO 44 -3.884 -34.360 16.883 216 1HD PRO 44 HD1 PRO 44 -4.166 -34.061 13.897 217 2HD PRO 44 HD2 PRO 44 -5.215 -33.446 15.196 218 H GLU 45 HN GLU 45 -0.886 -31.941 13.925 219 HA GLU 45 HA GLU 45 1.430 -30.893 15.168 220 1HB GLU 45 HB2 GLU 45 0.498 -30.575 12.324 221 2HB GLU 45 HB1 GLU 45 2.176 -30.667 12.847 222 1HG GLU 45 HG2 GLU 45 2.009 -32.979 12.453 223 2HG GLU 45 HG1 GLU 45 0.881 -33.114 13.788 224 H ALA 46 HN ALA 46 -1.412 -29.366 14.278 225 HA ALA 46 HA ALA 46 -0.912 -26.859 13.412 226 1HB ALA 46 HB3 ALA 46 -2.876 -27.867 15.462 227 2HB ALA 46 HB2 ALA 46 -3.080 -26.315 14.682 228 3HB ALA 46 HB1 ALA 46 -3.107 -27.805 13.732 229 H GLN 47 HN GLN 47 1.091 -25.997 14.186 230 HA GLN 47 HA GLN 47 1.464 -24.999 16.898 231 1HB GLN 47 HB2 GLN 47 2.918 -24.085 14.321 232 2HB GLN 47 HB1 GLN 47 3.480 -23.902 15.961 233 1HG GLN 47 HG2 GLN 47 3.088 -26.632 14.660 234 2HG GLN 47 HG1 GLN 47 4.632 -25.795 14.746 235 1HE2 GLN 47 HE22 GLN 47 3.260 -27.692 17.957 236 2HE2 GLN 47 HE21 GLN 47 2.465 -27.752 16.432 237 H ILE 48 HN ILE 48 -0.673 -24.077 16.878 238 HA ILE 48 HA ILE 48 -1.296 -21.839 15.171 239 HB ILE 48 HB ILE 48 -2.489 -23.014 17.492 240 1HG1 ILE 48 HG12 ILE 48 -3.259 -22.684 14.581 241 2HG1 ILE 48 HG11 ILE 48 -2.825 -24.197 15.352 242 1HG2 ILE 48 HG21 ILE 48 -2.994 -20.455 17.647 243 2HG2 ILE 48 HG23 ILE 48 -3.573 -20.533 16.002 244 3HG2 ILE 48 HG22 ILE 48 -4.422 -21.366 17.300 245 1HD1 ILE 48 HD1 ILE 48 -5.286 -22.620 16.064 246 2HD1 ILE 48 HD3 ILE 48 -5.131 -23.974 15.023 247 3HD1 ILE 48 HD2 ILE 48 -4.775 -24.184 16.744 248 H ILE 49 HN ILE 49 -0.570 -19.934 15.209 249 HA ILE 49 HA ILE 49 -0.169 -18.445 17.771 250 HB ILE 49 HB ILE 49 1.068 -17.999 15.167 251 1HG1 ILE 49 HG12 ILE 49 3.284 -18.176 16.662 252 2HG1 ILE 49 HG11 ILE 49 2.223 -19.022 17.764 253 1HG2 ILE 49 HG21 ILE 49 1.367 -16.334 17.706 254 2HG2 ILE 49 HG23 ILE 49 2.408 -16.145 16.317 255 3HG2 ILE 49 HG22 ILE 49 0.720 -15.770 16.164 256 1HD1 ILE 49 HD1 ILE 49 2.651 -19.791 14.854 257 2HD1 ILE 49 HD3 ILE 49 3.384 -20.591 16.239 258 3HD1 ILE 49 HD2 ILE 49 1.655 -20.648 16.015 259 H VAL 50 HN VAL 50 -0.718 -16.299 17.554 260 HA VAL 50 HA VAL 50 -3.332 -15.829 16.308 261 HB VAL 50 HB VAL 50 -2.904 -15.312 18.709 262 1HG1 VAL 50 HG13 VAL 50 -0.464 -14.725 18.561 263 2HG1 VAL 50 HG12 VAL 50 -0.871 -13.261 17.689 264 3HG1 VAL 50 HG11 VAL 50 -1.367 -13.457 19.355 265 1HG2 VAL 50 HG21 VAL 50 -4.550 -13.923 17.501 266 2HG2 VAL 50 HG23 VAL 50 -3.729 -12.979 18.727 267 3HG2 VAL 50 HG22 VAL 50 -3.286 -12.786 17.038 268 H LEU 51 HN LEU 51 -3.598 -14.658 14.506 269 HA LEU 51 HA LEU 51 -1.352 -12.962 13.530 270 1HB LEU 51 HB2 LEU 51 -2.277 -15.493 12.568 271 2HB LEU 51 HB1 LEU 51 -2.855 -14.357 11.419 272 HG LEU 51 HG LEU 51 0.034 -14.579 12.429 273 1HD1 LEU 51 HD11 LEU 51 -1.109 -15.628 9.806 274 2HD1 LEU 51 HD13 LEU 51 0.590 -15.560 10.213 275 3HD1 LEU 51 HD12 LEU 51 -0.502 -16.564 11.131 276 1HD2 LEU 51 HD23 LEU 51 -1.038 -12.743 10.145 277 2HD2 LEU 51 HD22 LEU 51 -0.413 -12.261 11.692 278 3HD2 LEU 51 HD21 LEU 51 0.632 -13.024 10.534 279 HA PRO 52 HA PRO 52 -5.111 -10.489 14.098 280 1HB PRO 52 HB2 PRO 52 -3.166 -8.238 13.516 281 2HB PRO 52 HB1 PRO 52 -4.354 -8.388 14.819 282 1HG PRO 52 HG2 PRO 52 -1.792 -8.857 15.461 283 2HG PRO 52 HG1 PRO 52 -3.007 -10.010 16.027 284 1HD PRO 52 HD1 PRO 52 -1.289 -10.260 13.498 285 2HD PRO 52 HD2 PRO 52 -1.455 -11.416 14.845 286 H VAL 53 HN VAL 53 -6.521 -10.418 12.624 287 HA VAL 53 HA VAL 53 -6.480 -10.822 10.015 288 HB VAL 53 HB VAL 53 -8.328 -9.550 11.772 289 1HG1 VAL 53 HG11 VAL 53 -8.668 -8.063 9.674 290 2HG1 VAL 53 HG13 VAL 53 -8.837 -9.541 8.740 291 3HG1 VAL 53 HG12 VAL 53 -10.021 -9.135 9.968 292 1HG2 VAL 53 HG21 VAL 53 -8.053 -11.938 11.310 293 2HG2 VAL 53 HG23 VAL 53 -9.678 -11.415 10.836 294 3HG2 VAL 53 HG22 VAL 53 -8.432 -11.652 9.624 295 H GLY 54 HN GLY 54 -6.250 -10.183 8.349 296 1HA GLY 54 HA2 GLY 54 -6.334 -8.300 6.583 297 2HA GLY 54 HA1 GLY 54 -5.671 -7.205 7.810 298 H THR 55 HN THR 55 -3.782 -8.999 8.915 299 HA THR 55 HA THR 55 -1.423 -8.874 7.505 300 HB THR 55 HB THR 55 -2.523 -10.551 9.698 301 HG1 THR 55 HG1 THR 55 -2.515 -8.741 10.592 302 1HG2 THR 55 HG23 THR 55 0.164 -9.510 9.032 303 2HG2 THR 55 HG22 THR 55 -0.321 -10.461 10.447 304 3HG2 THR 55 HG21 THR 55 -0.358 -11.206 8.839 305 H ILE 56 HN ILE 56 -2.570 -9.526 5.352 306 HA ILE 56 HA ILE 56 -3.317 -12.237 4.872 307 HB ILE 56 HB ILE 56 -2.293 -10.036 3.077 308 1HG1 ILE 56 HG12 ILE 56 -4.412 -9.476 3.880 309 2HG1 ILE 56 HG11 ILE 56 -4.720 -10.089 2.268 310 1HG2 ILE 56 HG23 ILE 56 -3.360 -12.746 2.117 311 2HG2 ILE 56 HG22 ILE 56 -3.038 -11.356 1.097 312 3HG2 ILE 56 HG21 ILE 56 -1.720 -12.157 1.918 313 1HD1 ILE 56 HD1 ILE 56 -5.419 -12.306 3.312 314 2HD1 ILE 56 HD3 ILE 56 -5.212 -11.572 4.903 315 3HD1 ILE 56 HD2 ILE 56 -6.424 -10.961 3.820 316 H VAL 57 HN VAL 57 -2.273 -13.819 5.033 317 HA VAL 57 HA VAL 57 0.696 -13.765 4.803 318 HB VAL 57 HB VAL 57 0.565 -15.969 6.043 319 1HG1 VAL 57 HG12 VAL 57 -0.783 -13.593 7.280 320 2HG1 VAL 57 HG11 VAL 57 -0.070 -14.914 8.184 321 3HG1 VAL 57 HG13 VAL 57 0.934 -13.876 7.202 322 1HG2 VAL 57 HG23 VAL 57 -2.552 -15.513 6.277 323 2HG2 VAL 57 HG22 VAL 57 -1.547 -16.709 5.346 324 3HG2 VAL 57 HG21 VAL 57 -1.532 -16.599 7.113 325 H THR 58 HN THR 58 1.236 -16.367 4.345 326 HA THR 58 HA THR 58 1.084 -16.408 1.469 327 HB THR 58 HB THR 58 2.544 -18.400 2.816 328 HG1 THR 58 HG1 THR 58 3.992 -16.221 3.203 329 1HG2 THR 58 HG21 THR 58 3.110 -17.721 0.424 330 2HG2 THR 58 HG23 THR 58 3.532 -16.126 1.017 331 3HG2 THR 58 HG22 THR 58 4.507 -17.519 1.462 332 H MET 59 HN MET 59 0.621 -18.031 0.186 333 HA MET 59 HA MET 59 -1.312 -20.053 1.110 334 1HB MET 59 HB2 MET 59 -0.381 -19.103 -1.652 335 2HB MET 59 HB1 MET 59 -1.515 -20.419 -1.434 336 1HG MET 59 HG2 MET 59 -1.919 -17.563 -0.464 337 2HG MET 59 HG1 MET 59 -2.715 -18.292 -1.830 338 1HE MET 59 HE2 MET 59 -3.749 -20.800 -1.385 339 2HE MET 59 HE1 MET 59 -5.175 -20.746 -0.389 340 3HE MET 59 HE3 MET 59 -5.003 -19.568 -1.696 341 H GLU 60 HN GLU 60 1.075 -20.451 2.184 342 HA GLU 60 HA GLU 60 2.798 -22.185 0.648 343 1HB GLU 60 HB2 GLU 60 4.201 -21.799 2.547 344 2HB GLU 60 HB1 GLU 60 3.331 -20.338 2.369 345 1HG GLU 60 HG2 GLU 60 1.765 -20.855 4.195 346 2HG GLU 60 HG1 GLU 60 2.379 -22.460 4.392 347 OH TYR 61 OH TYR 61 0.231 -31.958 3.387 348 H TYR 61 HN TYR 61 3.470 -24.358 2.109 349 HA TYR 61 HA TYR 61 0.912 -25.664 2.981 350 1HB TYR 61 HB2 TYR 61 1.616 -26.694 0.713 351 2HB TYR 61 HB1 TYR 61 3.168 -27.021 1.440 352 HD1 TYR 61 HD1 TYR 61 0.528 -27.505 3.951 353 HD2 TYR 61 HD2 TYR 61 2.416 -29.145 0.551 354 HE1 TYR 61 HE1 TYR 61 -0.208 -29.695 4.659 355 HE2 TYR 61 HE2 TYR 61 1.651 -31.432 1.258 356 HH TYR 61 HH TYR 61 -0.475 -31.814 4.019 357 NH1 ARG 62 NH1 ARG 62 7.076 -21.597 3.457 358 NH2 ARG 62 NH2 ARG 62 8.333 -23.009 2.237 359 H ARG 62 HN ARG 62 2.589 -24.305 4.440 360 HA ARG 62 HA ARG 62 4.317 -26.077 6.067 361 1HB ARG 62 HB2 ARG 62 3.597 -23.145 5.984 362 2HB ARG 62 HB1 ARG 62 4.371 -23.801 7.391 363 1HG ARG 62 HG2 ARG 62 6.105 -22.892 5.962 364 2HG ARG 62 HG1 ARG 62 6.259 -24.625 6.091 365 1HD ARG 62 HD2 ARG 62 5.217 -24.914 3.868 366 2HD ARG 62 HD1 ARG 62 4.947 -23.168 3.756 367 HE ARG 62 HE ARG 62 7.625 -24.494 4.042 368 1HH1 ARG 62 HH11 ARG 62 6.374 -21.507 4.175 369 2HH1 ARG 62 HH12 ARG 62 7.444 -20.794 2.999 370 1HH2 ARG 62 HH21 ARG 62 8.578 -23.956 2.051 371 2HH2 ARG 62 HH22 ARG 62 8.751 -22.269 1.722 372 H ILE 63 HN ILE 63 2.755 -27.340 6.177 373 HA ILE 63 HA ILE 63 0.354 -26.751 7.527 374 HB ILE 63 HB ILE 63 1.008 -28.624 5.825 375 1HG1 ILE 63 HG12 ILE 63 -0.312 -30.550 6.824 376 2HG1 ILE 63 HG11 ILE 63 -0.457 -29.620 8.296 377 1HG2 ILE 63 HG22 ILE 63 3.051 -29.246 7.024 378 2HG2 ILE 63 HG21 ILE 63 2.110 -29.896 8.341 379 3HG2 ILE 63 HG23 ILE 63 2.071 -30.700 6.773 380 1HD1 ILE 63 HD3 ILE 63 -1.521 -27.787 6.777 381 2HD1 ILE 63 HD2 ILE 63 -1.609 -28.913 5.509 382 3HD1 ILE 63 HD1 ILE 63 -2.496 -29.234 6.958 383 H ASP 64 HN ASP 64 2.641 -26.191 8.863 384 HA ASP 64 HA ASP 64 2.341 -27.383 11.515 385 1HB ASP 64 HB2 ASP 64 4.361 -25.765 11.930 386 2HB ASP 64 HB1 ASP 64 4.690 -27.035 10.756 387 NH1 ARG 65 NH2 ARG 65 4.098 -19.599 8.873 388 NH2 ARG 65 NH1 ARG 65 4.078 -21.779 8.405 389 H ARG 65 HN ARG 65 1.041 -24.878 9.713 390 HA ARG 65 HA ARG 65 0.423 -23.419 12.216 391 1HB ARG 65 HB2 ARG 65 1.980 -22.792 9.980 392 2HB ARG 65 HB1 ARG 65 0.750 -21.579 10.041 393 1HG ARG 65 HG2 ARG 65 1.190 -21.143 12.493 394 2HG ARG 65 HG1 ARG 65 2.491 -22.314 12.447 395 1HD ARG 65 HD2 ARG 65 2.326 -19.725 10.849 396 2HD ARG 65 HD1 ARG 65 3.431 -20.064 12.196 397 HE ARG 65 HE ARG 65 4.361 -21.988 10.713 398 1HH1 ARG 65 HH21 ARG 65 4.076 -18.912 9.590 399 2HH1 ARG 65 HH22 ARG 65 4.184 -19.385 7.898 400 1HH2 ARG 65 HH12 ARG 65 4.012 -22.692 8.831 401 2HH2 ARG 65 HH11 ARG 65 4.191 -21.623 7.420 402 H VAL 66 HN VAL 66 -1.918 -23.901 12.523 403 HA VAL 66 HA VAL 66 -3.613 -22.880 10.387 404 HB VAL 66 HB VAL 66 -4.568 -23.304 13.133 405 1HG1 VAL 66 HG11 VAL 66 -5.363 -24.302 10.350 406 2HG1 VAL 66 HG13 VAL 66 -6.377 -24.519 11.763 407 3HG1 VAL 66 HG12 VAL 66 -6.178 -22.893 11.067 408 1HG2 VAL 66 HG21 VAL 66 -3.858 -25.455 11.249 409 2HG2 VAL 66 HG23 VAL 66 -3.191 -25.262 12.883 410 3HG2 VAL 66 HG22 VAL 66 -4.931 -25.537 12.629 411 NH1 ARG 67 NH2 ARG 67 0.927 -19.609 7.676 412 NH2 ARG 67 NH1 ARG 67 0.474 -21.778 7.542 413 H ARG 67 HN ARG 67 -2.717 -20.988 10.162 414 HA ARG 67 HA ARG 67 -2.249 -18.876 11.989 415 1HB ARG 67 HB2 ARG 67 -2.388 -17.357 10.007 416 2HB ARG 67 HB1 ARG 67 -1.184 -18.627 9.924 417 1HG ARG 67 HG2 ARG 67 -3.554 -19.773 9.039 418 2HG ARG 67 HG1 ARG 67 -3.636 -18.167 8.389 419 1HD ARG 67 HD2 ARG 67 -2.484 -19.848 6.822 420 2HD ARG 67 HD1 ARG 67 -1.457 -18.473 7.268 421 HE ARG 67 HE ARG 67 -1.229 -20.704 9.159 422 1HH1 ARG 67 HH21 ARG 67 0.616 -18.705 7.943 423 2HH1 ARG 67 HH22 ARG 67 1.824 -19.773 7.284 424 1HH2 ARG 67 HH12 ARG 67 -0.156 -22.542 7.741 425 2HH2 ARG 67 HH11 ARG 67 1.367 -21.946 7.115 426 H LEU 68 HN LEU 68 -3.932 -18.440 13.430 427 HA LEU 68 HA LEU 68 -6.651 -18.280 12.409 428 1HB LEU 68 HB2 LEU 68 -5.597 -17.284 15.059 429 2HB LEU 68 HB1 LEU 68 -7.263 -17.683 14.670 430 HG LEU 68 HG LEU 68 -4.974 -19.692 14.750 431 1HD1 LEU 68 HD13 LEU 68 -7.255 -19.195 16.687 432 2HD1 LEU 68 HD12 LEU 68 -6.151 -20.522 16.777 433 3HD1 LEU 68 HD11 LEU 68 -5.535 -18.900 16.985 434 1HD2 LEU 68 HD21 LEU 68 -7.980 -20.110 14.467 435 2HD2 LEU 68 HD23 LEU 68 -6.753 -20.309 13.225 436 3HD2 LEU 68 HD22 LEU 68 -6.756 -21.354 14.622 437 H PHE 69 HN PHE 69 -6.823 -16.611 10.793 438 HA PHE 69 HA PHE 69 -5.971 -13.981 11.637 439 1HB PHE 69 HB2 PHE 69 -7.438 -15.072 9.074 440 2HB PHE 69 HB1 PHE 69 -7.375 -13.290 9.340 441 HD1 PHE 69 HD1 PHE 69 -5.482 -12.388 10.272 442 HD2 PHE 69 HD2 PHE 69 -5.268 -16.123 8.198 443 HE1 PHE 69 HE1 PHE 69 -3.157 -12.196 10.151 444 HE2 PHE 69 HE2 PHE 69 -3.040 -15.954 8.076 445 HZ PHE 69 HZ PHE 69 -1.818 -14.071 8.881 446 H VAL 70 HN VAL 70 -6.543 -13.383 13.247 447 HA VAL 70 HA VAL 70 -9.428 -13.573 14.203 448 HB VAL 70 HB VAL 70 -8.689 -13.162 16.456 449 1HG1 VAL 70 HG13 VAL 70 -6.743 -15.086 15.200 450 2HG1 VAL 70 HG12 VAL 70 -7.093 -14.953 16.904 451 3HG1 VAL 70 HG11 VAL 70 -8.337 -15.490 15.788 452 1HG2 VAL 70 HG21 VAL 70 -5.861 -12.747 15.397 453 2HG2 VAL 70 HG23 VAL 70 -6.898 -11.489 16.074 454 3HG2 VAL 70 HG22 VAL 70 -6.362 -12.810 17.093 455 H ASP 71 HN ASP 71 -10.212 -11.506 15.459 456 HA ASP 71 HA ASP 71 -9.485 -9.341 13.569 457 1HB ASP 71 HB2 ASP 71 -11.579 -8.332 14.188 458 2HB ASP 71 HB1 ASP 71 -11.870 -9.988 14.209 459 H LYS 72 HN LYS 72 -10.474 -7.666 15.536 460 HA LYS 72 HA LYS 72 -7.947 -7.124 17.001 461 1HB LYS 72 HB2 LYS 72 -10.260 -5.386 16.127 462 2HB LYS 72 HB1 LYS 72 -9.195 -4.840 17.407 463 1HG LYS 72 HG2 LYS 72 -8.534 -4.084 15.019 464 2HG LYS 72 HG1 LYS 72 -7.271 -4.747 16.034 465 1HD LYS 72 HD2 LYS 72 -7.463 -6.940 14.864 466 2HD LYS 72 HD1 LYS 72 -8.775 -6.335 13.867 467 1HE LYS 72 HE2 LYS 72 -7.141 -4.679 12.879 468 2HE LYS 72 HE1 LYS 72 -5.877 -5.349 13.904 469 1HZ LYS 72 HZ3 LYS 72 -7.184 -7.493 12.635 470 2HZ LYS 72 HZ2 LYS 72 -6.804 -6.421 11.400 471 3HZ LYS 72 HZ1 LYS 72 -5.590 -7.023 12.333 472 H LEU 73 HN LEU 73 -10.277 -8.741 17.641 473 HA LEU 73 HA LEU 73 -10.232 -8.395 20.611 474 1HB LEU 73 HB2 LEU 73 -12.505 -9.051 18.822 475 2HB LEU 73 HB1 LEU 73 -12.704 -8.829 20.566 476 HG LEU 73 HG LEU 73 -11.990 -6.738 18.444 477 1HD1 LEU 73 HD11 LEU 73 -14.563 -7.254 20.005 478 2HD1 LEU 73 HD13 LEU 73 -14.324 -5.901 18.902 479 3HD1 LEU 73 HD12 LEU 73 -14.282 -7.549 18.294 480 1HD2 LEU 73 HD21 LEU 73 -12.681 -6.281 21.411 481 2HD2 LEU 73 HD23 LEU 73 -11.082 -6.087 20.699 482 3HD2 LEU 73 HD22 LEU 73 -12.393 -5.025 20.218 483 H ASP 74 HN ASP 74 -8.664 -10.085 19.011 484 HA ASP 74 HA ASP 74 -8.244 -12.082 18.240 485 1HB ASP 74 HB2 ASP 74 -7.495 -13.146 20.322 486 2HB ASP 74 HB1 ASP 74 -7.470 -11.453 20.638 487 H ASN 75 HN ASN 75 -11.038 -11.853 17.834 488 HA ASN 75 HA ASN 75 -11.927 -14.684 18.104 489 1HB ASN 75 HB2 ASN 75 -13.339 -12.059 17.620 490 2HB ASN 75 HB1 ASN 75 -14.213 -13.564 17.386 491 1HD2 ASN 75 HD22 ASN 75 -14.792 -11.818 20.088 492 2HD2 ASN 75 HD21 ASN 75 -13.085 -11.643 20.254 493 H ILE 76 HN ILE 76 -12.498 -15.849 16.236 494 HA ILE 76 HA ILE 76 -10.983 -15.195 13.955 495 HB ILE 76 HB ILE 76 -12.908 -17.389 14.509 496 1HG1 ILE 76 HG12 ILE 76 -9.979 -16.512 14.788 497 2HG1 ILE 76 HG11 ILE 76 -11.119 -17.070 16.044 498 1HG2 ILE 76 HG23 ILE 76 -10.895 -16.746 12.193 499 2HG2 ILE 76 HG22 ILE 76 -11.652 -18.348 12.424 500 3HG2 ILE 76 HG21 ILE 76 -12.589 -16.951 11.954 501 1HD1 ILE 76 HD1 ILE 76 -11.266 -19.102 15.314 502 2HD1 ILE 76 HD3 ILE 76 -10.111 -18.819 13.974 503 3HD1 ILE 76 HD2 ILE 76 -9.565 -18.723 15.679 504 H ALA 77 HN ALA 77 -11.352 -14.135 12.617 505 HA ALA 77 HA ALA 77 -13.837 -12.864 11.876 506 1HB ALA 77 HB2 ALA 77 -10.844 -12.369 12.154 507 2HB ALA 77 HB1 ALA 77 -11.915 -11.031 11.658 508 3HB ALA 77 HB3 ALA 77 -12.061 -11.839 13.236 509 H GLN 78 HN GLN 78 -10.868 -14.118 10.776 510 HA GLN 78 HA GLN 78 -11.931 -14.796 8.057 511 1HB GLN 78 HB2 GLN 78 -9.433 -13.463 9.032 512 2HB GLN 78 HB1 GLN 78 -9.255 -14.463 7.604 513 1HG GLN 78 HG2 GLN 78 -9.690 -12.083 6.982 514 2HG GLN 78 HG1 GLN 78 -11.049 -13.061 6.472 515 1HE2 GLN 78 HE22 GLN 78 -13.284 -11.178 8.346 516 2HE2 GLN 78 HE21 GLN 78 -13.053 -12.375 7.160 517 H VAL 79 HN VAL 79 -12.492 -16.945 8.923 518 HA VAL 79 HA VAL 79 -11.005 -18.580 10.506 519 HB VAL 79 HB VAL 79 -13.032 -18.998 8.642 520 1HG1 VAL 79 HG12 VAL 79 -11.405 -20.334 7.429 521 2HG1 VAL 79 HG11 VAL 79 -11.083 -21.202 8.934 522 3HG1 VAL 79 HG13 VAL 79 -12.690 -21.267 8.159 523 1HG2 VAL 79 HG23 VAL 79 -11.804 -20.567 11.084 524 2HG2 VAL 79 HG22 VAL 79 -12.940 -19.310 11.272 525 3HG2 VAL 79 HG21 VAL 79 -13.420 -20.797 10.590 526 HA PRO 80 HA PRO 80 -7.133 -19.481 8.567 527 1HB PRO 80 HB2 PRO 80 -5.970 -20.808 10.400 528 2HB PRO 80 HB1 PRO 80 -6.876 -19.347 10.834 529 1HG PRO 80 HG2 PRO 80 -8.066 -22.042 10.462 530 2HG PRO 80 HG1 PRO 80 -7.828 -21.441 12.088 531 1HD PRO 80 HD1 PRO 80 -10.074 -21.104 10.724 532 2HD PRO 80 HD2 PRO 80 -9.492 -19.624 11.569 533 NH1 ARG 81 NH1 ARG 81 -4.419 -25.637 3.486 534 NH2 ARG 81 NH2 ARG 81 -6.559 -25.128 3.414 535 H ARG 81 HN ARG 81 -5.551 -21.346 8.613 536 HA ARG 81 HA ARG 81 -6.444 -23.875 7.563 537 1HB ARG 81 HB2 ARG 81 -6.453 -23.241 5.337 538 2HB ARG 81 HB1 ARG 81 -5.955 -21.629 5.770 539 1HG ARG 81 HG2 ARG 81 -3.594 -22.299 5.774 540 2HG ARG 81 HG1 ARG 81 -4.057 -23.953 5.429 541 1HD ARG 81 HD2 ARG 81 -4.903 -21.615 3.650 542 2HD ARG 81 HD1 ARG 81 -3.358 -22.415 3.405 543 HE ARG 81 HE ARG 81 -5.305 -23.402 1.972 544 1HH1 ARG 81 HH11 ARG 81 -3.448 -25.383 3.363 545 2HH1 ARG 81 HH12 ARG 81 -4.676 -26.558 3.779 546 1HH2 ARG 81 HH21 ARG 81 -7.278 -24.465 3.231 547 2HH2 ARG 81 HH22 ARG 81 -6.726 -26.067 3.713 548 H VAL 82 HN VAL 82 -4.999 -25.310 8.023 549 HA VAL 82 HA VAL 82 -2.798 -24.928 9.735 550 HB VAL 82 HB VAL 82 -3.255 -27.152 7.672 551 1HG1 VAL 82 HG13 VAL 82 -1.682 -26.999 10.164 552 2HG1 VAL 82 HG12 VAL 82 -1.853 -28.460 9.140 553 3HG1 VAL 82 HG11 VAL 82 -1.104 -27.035 8.484 554 1HG2 VAL 82 HG21 VAL 82 -4.113 -27.238 10.543 555 2HG2 VAL 82 HG23 VAL 82 -5.065 -27.146 9.041 556 3HG2 VAL 82 HG22 VAL 82 -4.125 -28.541 9.368 557 H GLY 83 HN GLY 83 -2.835 -25.779 6.520 558 1HA GLY 83 GLY 83 -0.818 -24.178 5.329 559 2HA GLY 83 HA1 GLY 83 -0.175 -25.773 5.852 Start of MODEL 9 Raw file had 559 H/Q atoms Start of MODEL 9 1 H LEU 20 HN LEU 20 -8.932 -34.440 5.427 2 HA LEU 20 HA LEU 20 -7.201 -32.370 4.403 3 1HB LEU 20 HB2 LEU 20 -9.550 -33.256 2.684 4 2HB LEU 20 HB1 LEU 20 -8.776 -31.710 2.454 5 HG LEU 20 HG LEU 20 -7.291 -34.397 2.277 6 1HD1 LEU 20 HD11 LEU 20 -8.328 -32.534 0.083 7 2HD1 LEU 20 HD13 LEU 20 -7.359 -33.971 -0.180 8 3HD1 LEU 20 HD12 LEU 20 -8.985 -34.117 0.453 9 1HD2 LEU 20 HD23 LEU 20 -5.834 -32.377 2.783 10 2HD2 LEU 20 HD22 LEU 20 -5.534 -33.025 1.179 11 3HD2 LEU 20 HD21 LEU 20 -6.509 -31.578 1.368 12 H LYS 21 HN LYS 21 -8.284 -32.460 6.802 13 HA LYS 21 HA LYS 21 -10.540 -30.515 6.814 14 1HB LYS 21 HB2 LYS 21 -10.447 -32.781 8.235 15 2HB LYS 21 HB1 LYS 21 -9.308 -31.903 9.251 16 1HG LYS 21 HG2 LYS 21 -12.102 -30.902 8.565 17 2HG LYS 21 HG1 LYS 21 -11.687 -31.756 10.045 18 1HD LYS 21 HD2 LYS 21 -9.943 -29.925 10.508 19 2HD LYS 21 HD1 LYS 21 -10.564 -29.038 9.172 20 1HE LYS 21 HE2 LYS 21 -12.404 -29.972 11.389 21 2HE LYS 21 HE1 LYS 21 -11.547 -28.437 11.430 22 1HZ LYS 21 HZ1 LYS 21 -12.524 -28.646 8.860 23 2HZ LYS 21 HZ3 LYS 21 -13.870 -29.054 9.920 24 3HZ LYS 21 HZ2 LYS 21 -13.041 -27.610 10.086 25 H THR 22 HN THR 22 -8.946 -29.364 5.789 26 HA THR 22 HA THR 22 -6.603 -28.225 7.320 27 HB THR 22 HB THR 22 -5.988 -27.212 5.109 28 HG1 THR 22 HG1 THR 22 -8.595 -28.041 4.624 29 1HG2 THR 22 HG23 THR 22 -5.265 -29.617 5.688 30 2HG2 THR 22 HG22 THR 22 -6.754 -30.161 4.918 31 3HG2 THR 22 HG21 THR 22 -5.530 -29.346 3.961 32 H GLU 23 HN GLU 23 -9.597 -27.657 7.354 33 HA GLU 23 HA GLU 23 -9.427 -24.711 7.643 34 1HB GLU 23 HB2 GLU 23 -11.475 -24.424 6.335 35 2HB GLU 23 HB1 GLU 23 -10.248 -25.273 5.434 36 1HG GLU 23 HG2 GLU 23 -12.809 -26.484 6.678 37 2HG GLU 23 HG1 GLU 23 -12.341 -26.511 4.996 38 CH2 TRP 24 CH2 TRP 24 -6.828 -27.708 10.789 39 H TRP 24 HN TRP 24 -10.752 -23.791 9.123 40 HA TRP 24 HA TRP 24 -12.449 -25.601 10.780 41 1HB TRP 24 HB2 TRP 24 -10.147 -23.851 11.711 42 2HB TRP 24 HB1 TRP 24 -11.333 -24.388 12.770 43 HD1 TRP 24 HD1 TRP 24 -11.630 -26.488 13.460 44 HE1 TRP 24 HE1 TRP 24 -9.988 -28.516 13.535 45 HE3 TRP 24 HE3 TRP 24 -8.499 -24.867 10.164 46 HZ2 TRP 24 HZ2 TRP 24 -7.411 -29.193 12.169 47 HZ3 TRP 24 HZ3 TRP 24 -6.491 -26.038 9.495 48 HH2 TRP 24 HH2 TRP 24 -5.943 -28.252 10.491 49 HA PRO 25 HA PRO 25 -14.932 -21.884 9.928 50 1HB PRO 25 HB2 PRO 25 -17.017 -23.300 8.870 51 2HB PRO 25 HB1 PRO 25 -15.541 -22.934 7.937 52 1HG PRO 25 HG2 PRO 25 -16.080 -25.500 9.455 53 2HG PRO 25 HG1 PRO 25 -15.766 -25.275 7.719 54 1HD PRO 25 HD1 PRO 25 -13.712 -25.783 9.345 55 2HD PRO 25 HD2 PRO 25 -13.505 -24.515 8.118 56 H GLU 26 HN GLU 26 -15.480 -24.926 11.518 57 HA GLU 26 HA GLU 26 -17.717 -24.227 13.106 58 1HB GLU 26 HB2 GLU 26 -15.367 -26.032 13.795 59 2HB GLU 26 HB1 GLU 26 -17.033 -26.263 14.315 60 1HG GLU 26 HG2 GLU 26 -17.203 -27.718 12.458 61 2HG GLU 26 HG1 GLU 26 -17.207 -26.299 11.451 62 H LEU 27 HN LEU 27 -14.578 -22.941 13.110 63 HA LEU 27 HA LEU 27 -14.681 -21.970 15.877 64 1HB LEU 27 HB2 LEU 27 -12.497 -21.767 13.770 65 2HB LEU 27 HB1 LEU 27 -12.289 -21.502 15.494 66 HG LEU 27 HG LEU 27 -12.888 -24.120 14.039 67 1HD1 LEU 27 HD11 LEU 27 -10.345 -23.332 14.111 68 2HD1 LEU 27 HD13 LEU 27 -10.533 -23.376 15.830 69 3HD1 LEU 27 HD12 LEU 27 -10.737 -24.837 14.935 70 1HD2 LEU 27 HD22 LEU 27 -14.084 -24.095 16.210 71 2HD2 LEU 27 HD21 LEU 27 -12.742 -25.210 16.160 72 3HD2 LEU 27 HD23 LEU 27 -12.592 -23.688 17.024 73 H VAL 28 HN VAL 28 -15.979 -20.797 13.014 74 HA VAL 28 HA VAL 28 -15.040 -18.042 13.166 75 HB VAL 28 HB VAL 28 -17.496 -19.322 11.844 76 1HG1 VAL 28 HG13 VAL 28 -16.334 -16.504 11.463 77 2HG1 VAL 28 HG12 VAL 28 -17.662 -17.193 10.538 78 3HG1 VAL 28 HG11 VAL 28 -17.865 -16.859 12.245 79 1HG2 VAL 28 HG22 VAL 28 -15.223 -20.005 10.849 80 2HG2 VAL 28 HG21 VAL 28 -16.181 -19.006 9.769 81 3HG2 VAL 28 HG23 VAL 28 -14.852 -18.298 10.663 82 H GLY 29 HN GLY 29 -15.722 -16.510 14.536 83 1HA GLY 29 HA2 GLY 29 -17.333 -15.388 15.996 84 2HA GLY 29 HA1 GLY 29 -18.248 -16.897 16.096 85 H LYS 30 HN LYS 30 -15.022 -17.677 16.300 86 HA LYS 30 HA LYS 30 -15.065 -17.666 19.247 87 1HB LYS 30 HB2 LYS 30 -13.728 -19.520 17.329 88 2HB LYS 30 HB1 LYS 30 -13.774 -19.750 19.037 89 1HG LYS 30 HG2 LYS 30 -16.553 -19.372 18.064 90 2HG LYS 30 HG1 LYS 30 -15.800 -20.478 16.977 91 1HD LYS 30 HD2 LYS 30 -16.506 -22.002 18.511 92 2HD LYS 30 HD1 LYS 30 -14.987 -21.635 19.296 93 1HE LYS 30 HE2 LYS 30 -17.729 -20.495 19.947 94 2HE LYS 30 HE1 LYS 30 -16.694 -21.473 20.980 95 1HZ LYS 30 HZ3 LYS 30 -15.186 -19.275 20.180 96 2HZ LYS 30 HZ2 LYS 30 -16.671 -18.644 20.799 97 3HZ LYS 30 HZ1 LYS 30 -15.633 -19.701 21.679 98 H SER 31 HN SER 31 -12.950 -17.752 20.360 99 HA SER 31 HA SER 31 -10.970 -15.974 18.963 100 1HB SER 31 HB2 SER 31 -10.221 -16.548 21.600 101 2HB SER 31 HB1 SER 31 -10.955 -15.063 21.014 102 HG SER 31 HG1 SER 31 -12.847 -15.654 21.369 103 H VAL 32 HN VAL 32 -9.170 -15.913 19.106 104 HA VAL 32 HA VAL 32 -8.301 -17.857 17.586 105 HB VAL 32 HB VAL 32 -7.688 -15.504 18.000 106 1HG1 VAL 32 HG13 VAL 32 -7.513 -15.305 20.338 107 2HG1 VAL 32 HG12 VAL 32 -6.031 -16.253 20.406 108 3HG1 VAL 32 HG11 VAL 32 -6.041 -14.686 19.629 109 1HG2 VAL 32 HG22 VAL 32 -5.939 -16.634 16.563 110 2HG2 VAL 32 HG21 VAL 32 -5.155 -15.462 17.594 111 3HG2 VAL 32 HG23 VAL 32 -5.074 -17.153 18.004 112 H GLU 33 HN GLU 33 -7.014 -17.741 20.921 113 HA GLU 33 HA GLU 33 -5.644 -20.261 20.467 114 1HB GLU 33 HB2 GLU 33 -6.334 -18.735 23.011 115 2HB GLU 33 HB1 GLU 33 -5.363 -20.193 23.030 116 1HG GLU 33 HG2 GLU 33 -4.642 -17.515 21.664 117 2HG GLU 33 HG1 GLU 33 -3.796 -18.283 22.981 118 H GLU 34 HN GLU 34 -8.841 -19.508 21.216 119 HA GLU 34 HA GLU 34 -9.616 -22.091 22.333 120 1HB GLU 34 HB2 GLU 34 -10.997 -20.116 22.826 121 2HB GLU 34 HB1 GLU 34 -11.215 -19.803 21.131 122 1HG GLU 34 HG2 GLU 34 -12.374 -22.150 20.941 123 2HG GLU 34 HG1 GLU 34 -12.387 -22.122 22.700 124 H ALA 35 HN ALA 35 -9.868 -20.455 19.175 125 HA ALA 35 HA ALA 35 -11.037 -22.575 17.717 126 1HB ALA 35 HB3 ALA 35 -8.877 -20.539 16.828 127 2HB ALA 35 HB2 ALA 35 -9.896 -21.415 15.707 128 3HB ALA 35 HB1 ALA 35 -10.595 -20.252 16.827 129 H LYS 36 HN LYS 36 -7.698 -21.683 18.310 130 HA LYS 36 HA LYS 36 -6.330 -23.777 17.208 131 1HB LYS 36 HB2 LYS 36 -5.495 -21.632 18.091 132 2HB LYS 36 HB1 LYS 36 -5.871 -22.164 19.701 133 1HG LYS 36 HG2 LYS 36 -4.147 -23.830 19.705 134 2HG LYS 36 HG1 LYS 36 -3.817 -23.562 17.989 135 1HD LYS 36 HD2 LYS 36 -3.437 -21.126 18.527 136 2HD LYS 36 HD1 LYS 36 -3.707 -21.502 20.212 137 1HE LYS 36 HE2 LYS 36 -1.668 -22.714 20.386 138 2HE LYS 36 HE1 LYS 36 -1.431 -22.743 18.636 139 1HZ LYS 36 HZ1 LYS 36 -2.020 -20.128 19.518 140 2HZ LYS 36 HZ3 LYS 36 -0.775 -20.653 20.437 141 3HZ LYS 36 HZ2 LYS 36 -0.580 -20.673 18.719 142 H LYS 37 HN LYS 37 -7.568 -23.417 20.359 143 HA LYS 37 HA LYS 37 -6.679 -25.762 21.406 144 1HB LYS 37 HB2 LYS 37 -7.673 -23.974 22.717 145 2HB LYS 37 HB1 LYS 37 -9.169 -24.158 21.866 146 1HG LYS 37 HG2 LYS 37 -8.979 -26.662 23.058 147 2HG LYS 37 HG1 LYS 37 -8.003 -25.711 24.130 148 1HD LYS 37 HD2 LYS 37 -10.387 -25.639 24.914 149 2HD LYS 37 HD1 LYS 37 -9.685 -24.079 24.506 150 1HE LYS 37 HE2 LYS 37 -12.105 -24.587 23.683 151 2HE LYS 37 HE1 LYS 37 -11.002 -23.712 22.649 152 1HZ LYS 37 HZ3 LYS 37 -10.667 -26.542 22.334 153 2HZ LYS 37 HZ2 LYS 37 -12.265 -26.111 22.030 154 3HZ LYS 37 HZ1 LYS 37 -10.990 -25.350 21.177 155 H VAL 38 HN VAL 38 -9.626 -25.103 19.634 156 HA VAL 38 HA VAL 38 -10.486 -27.904 19.493 157 HB VAL 38 HB VAL 38 -11.147 -25.614 17.587 158 1HG1 VAL 38 HG13 VAL 38 -12.403 -28.402 17.758 159 2HG1 VAL 38 HG12 VAL 38 -13.060 -27.096 16.811 160 3HG1 VAL 38 HG11 VAL 38 -11.496 -27.748 16.396 161 1HG2 VAL 38 HG21 VAL 38 -12.842 -26.698 19.856 162 2HG2 VAL 38 HG23 VAL 38 -12.105 -25.089 19.743 163 3HG2 VAL 38 HG22 VAL 38 -13.384 -25.548 18.651 164 H ILE 39 HN ILE 39 -8.817 -25.899 17.254 165 HA ILE 39 HA ILE 39 -8.573 -27.543 15.009 166 HB ILE 39 HB ILE 39 -6.571 -25.591 16.246 167 1HG1 ILE 39 HG12 ILE 39 -8.659 -25.436 14.036 168 2HG1 ILE 39 HG11 ILE 39 -8.792 -24.702 15.614 169 1HG2 ILE 39 HG22 ILE 39 -5.461 -27.134 14.571 170 2HG2 ILE 39 HG21 ILE 39 -6.743 -26.567 13.405 171 3HG2 ILE 39 HG23 ILE 39 -5.620 -25.451 14.088 172 1HD1 ILE 39 HD2 ILE 39 -6.676 -24.024 13.570 173 2HD1 ILE 39 HD1 ILE 39 -8.218 -23.120 13.889 174 3HD1 ILE 39 HD3 ILE 39 -6.928 -23.176 15.107 175 H LEU 40 HN LEU 40 -6.546 -27.361 17.793 176 HA LEU 40 HA LEU 40 -4.749 -29.385 17.040 177 1HB LEU 40 HB2 LEU 40 -5.639 -27.929 19.551 178 2HB LEU 40 HB1 LEU 40 -4.449 -29.194 19.701 179 HG LEU 40 HG LEU 40 -4.203 -27.019 17.554 180 1HD1 LEU 40 HD11 LEU 40 -4.153 -25.908 19.739 181 2HD1 LEU 40 HD13 LEU 40 -2.872 -26.999 20.256 182 3HD1 LEU 40 HD12 LEU 40 -2.604 -25.881 18.909 183 1HD2 LEU 40 HD21 LEU 40 -2.257 -29.001 18.848 184 2HD2 LEU 40 HD23 LEU 40 -2.867 -29.122 17.211 185 3HD2 LEU 40 HD22 LEU 40 -1.821 -27.811 17.652 186 H GLN 41 HN GLN 41 -7.926 -29.705 18.252 187 HA GLN 41 HA GLN 41 -7.493 -32.498 19.049 188 1HB GLN 41 HB2 GLN 41 -9.307 -31.549 20.244 189 2HB GLN 41 HB1 GLN 41 -9.822 -30.571 18.898 190 1HG GLN 41 HG2 GLN 41 -10.176 -33.570 18.606 191 2HG GLN 41 HG1 GLN 41 -11.293 -32.701 19.638 192 1HE2 GLN 41 HE22 GLN 41 -11.603 -32.261 15.658 193 2HE2 GLN 41 HE21 GLN 41 -10.418 -33.294 16.337 194 H ASP 42 HN ASP 42 -7.922 -30.803 16.233 195 HA ASP 42 HA ASP 42 -8.873 -33.035 14.531 196 1HB ASP 42 HB2 ASP 42 -9.902 -30.737 14.507 197 2HB ASP 42 HB1 ASP 42 -8.381 -30.087 13.957 198 H LYS 43 HN LYS 43 -6.247 -30.764 14.515 199 HA LYS 43 HA LYS 43 -4.525 -32.722 12.938 200 1HB LYS 43 HB2 LYS 43 -5.238 -29.968 12.356 201 2HB LYS 43 HB1 LYS 43 -3.509 -30.011 12.604 202 1HG LYS 43 HG2 LYS 43 -5.022 -31.937 10.793 203 2HG LYS 43 HG1 LYS 43 -4.308 -30.482 10.161 204 1HD LYS 43 HD2 LYS 43 -2.444 -32.280 11.708 205 2HD LYS 43 HD1 LYS 43 -3.088 -32.993 10.250 206 1HE LYS 43 HE2 LYS 43 -1.037 -31.946 9.593 207 2HE LYS 43 HE1 LYS 43 -2.300 -30.868 9.017 208 1HZ LYS 43 HZ3 LYS 43 -1.654 -30.232 11.705 209 2HZ LYS 43 HZ2 LYS 43 -0.256 -30.364 10.858 210 3HZ LYS 43 HZ1 LYS 43 -1.329 -29.247 10.285 211 HA PRO 44 HA PRO 44 -3.283 -32.852 17.405 212 1HB PRO 44 HB2 PRO 44 -1.522 -34.594 15.636 213 2HB PRO 44 HB1 PRO 44 -1.848 -34.820 17.364 214 1HG PRO 44 HG2 PRO 44 -3.503 -36.055 15.669 215 2HG PRO 44 HG1 PRO 44 -4.242 -35.098 16.957 216 1HD PRO 44 HD1 PRO 44 -4.030 -34.416 14.040 217 2HD PRO 44 HD2 PRO 44 -5.280 -33.948 15.212 218 H GLU 45 HN GLU 45 -0.664 -32.465 15.024 219 HA GLU 45 HA GLU 45 0.998 -31.145 16.967 220 1HB GLU 45 HB2 GLU 45 2.613 -31.392 15.007 221 2HB GLU 45 HB1 GLU 45 1.823 -32.830 15.667 222 1HG GLU 45 HG2 GLU 45 2.046 -32.849 13.138 223 2HG GLU 45 HG1 GLU 45 0.491 -33.280 13.777 224 H ALA 46 HN ALA 46 -1.461 -29.813 15.361 225 HA ALA 46 HA ALA 46 -0.412 -27.703 13.883 226 1HB ALA 46 HB2 ALA 46 -2.819 -28.367 14.043 227 2HB ALA 46 HB1 ALA 46 -2.947 -27.682 15.635 228 3HB ALA 46 HB3 ALA 46 -2.592 -26.664 14.255 229 H GLN 47 HN GLN 47 1.495 -26.911 14.802 230 HA GLN 47 HA GLN 47 1.557 -25.354 17.287 231 1HB GLN 47 HB2 GLN 47 3.693 -26.175 16.847 232 2HB GLN 47 HB1 GLN 47 3.445 -26.257 15.138 233 1HG GLN 47 HG2 GLN 47 3.777 -23.445 16.302 234 2HG GLN 47 HG1 GLN 47 5.186 -24.461 16.344 235 1HE2 GLN 47 HE22 GLN 47 4.503 -24.458 12.487 236 2HE2 GLN 47 HE21 GLN 47 3.742 -25.523 13.542 237 H ILE 48 HN ILE 48 -0.386 -24.351 16.600 238 HA ILE 48 HA ILE 48 -0.641 -22.606 14.337 239 HB ILE 48 HB ILE 48 -2.162 -23.036 16.721 240 1HG1 ILE 48 HG12 ILE 48 -2.742 -24.110 13.938 241 2HG1 ILE 48 HG11 ILE 48 -1.769 -24.951 15.064 242 1HG2 ILE 48 HG21 ILE 48 -2.850 -20.833 15.775 243 2HG2 ILE 48 HG23 ILE 48 -3.045 -21.574 14.199 244 3HG2 ILE 48 HG22 ILE 48 -4.107 -22.016 15.514 245 1HD1 ILE 48 HD2 ILE 48 -3.679 -24.995 16.624 246 2HD1 ILE 48 HD1 ILE 48 -4.632 -24.095 15.407 247 3HD1 ILE 48 HD3 ILE 48 -4.007 -25.693 15.065 248 H ILE 49 HN ILE 49 -0.862 -20.482 14.156 249 HA ILE 49 HA ILE 49 0.259 -18.755 16.313 250 HB ILE 49 HB ILE 49 0.924 -19.092 13.558 251 1HG1 ILE 49 HG12 ILE 49 3.233 -18.370 14.381 252 2HG1 ILE 49 HG11 ILE 49 2.544 -18.270 15.966 253 1HG2 ILE 49 HG21 ILE 49 1.055 -16.386 14.916 254 2HG2 ILE 49 HG23 ILE 49 1.907 -16.718 13.421 255 3HG2 ILE 49 HG22 ILE 49 0.150 -16.724 13.455 256 1HD1 ILE 49 HD3 ILE 49 2.690 -20.861 14.332 257 2HD1 ILE 49 HD2 ILE 49 3.767 -20.396 15.625 258 3HD1 ILE 49 HD1 ILE 49 2.095 -20.716 15.986 259 H VAL 50 HN VAL 50 -0.478 -16.730 16.514 260 HA VAL 50 HA VAL 50 -3.200 -16.043 15.651 261 HB VAL 50 HB VAL 50 -2.738 -15.990 17.973 262 1HG1 VAL 50 HG11 VAL 50 -0.410 -14.123 17.386 263 2HG1 VAL 50 HG13 VAL 50 -1.006 -14.498 18.989 264 3HG1 VAL 50 HG12 VAL 50 -0.275 -15.751 18.023 265 1HG2 VAL 50 HG23 VAL 50 -4.075 -13.987 16.989 266 2HG2 VAL 50 HG22 VAL 50 -3.247 -13.548 18.478 267 3HG2 VAL 50 HG21 VAL 50 -2.584 -13.088 16.925 268 H LEU 51 HN LEU 51 -3.607 -14.689 13.971 269 HA LEU 51 HA LEU 51 -1.699 -12.451 13.496 270 1HB LEU 51 HB2 LEU 51 -2.966 -14.206 11.404 271 2HB LEU 51 HB1 LEU 51 -2.001 -12.781 11.075 272 HG LEU 51 HG LEU 51 -0.363 -14.509 12.650 273 1HD1 LEU 51 HD11 LEU 51 -1.970 -16.344 12.046 274 2HD1 LEU 51 HD13 LEU 51 -1.775 -15.996 10.341 275 3HD1 LEU 51 HD12 LEU 51 -0.409 -16.579 11.309 276 1HD2 LEU 51 HD22 LEU 51 -0.317 -13.743 9.641 277 2HD2 LEU 51 HD21 LEU 51 0.476 -12.950 10.948 278 3HD2 LEU 51 HD23 LEU 51 0.974 -14.559 10.510 279 HA PRO 52 HA PRO 52 -5.705 -10.454 13.298 280 1HB PRO 52 HB2 PRO 52 -5.005 -7.893 12.806 281 2HB PRO 52 HB1 PRO 52 -4.461 -8.700 14.282 282 1HG PRO 52 HG2 PRO 52 -2.925 -8.429 11.627 283 2HG PRO 52 HG1 PRO 52 -2.372 -7.942 13.229 284 1HD PRO 52 HD1 PRO 52 -1.737 -10.412 12.160 285 2HD PRO 52 HD2 PRO 52 -1.974 -10.195 13.915 286 H VAL 53 HN VAL 53 -7.223 -10.199 11.663 287 HA VAL 53 HA VAL 53 -6.947 -11.156 9.110 288 HB VAL 53 HB VAL 53 -8.765 -9.269 10.297 289 1HG1 VAL 53 HG11 VAL 53 -8.761 -10.481 7.474 290 2HG1 VAL 53 HG13 VAL 53 -10.177 -9.631 8.139 291 3HG1 VAL 53 HG12 VAL 53 -8.696 -8.758 7.794 292 1HG2 VAL 53 HG21 VAL 53 -8.649 -11.710 10.882 293 2HG2 VAL 53 HG23 VAL 53 -10.176 -11.365 10.059 294 3HG2 VAL 53 HG22 VAL 53 -8.818 -12.107 9.211 295 H GLY 54 HN GLY 54 -6.133 -10.787 7.458 296 1HA GLY 54 HA2 GLY 54 -5.608 -9.214 5.495 297 2HA GLY 54 HA1 GLY 54 -5.144 -8.003 6.668 298 H THR 55 HN THR 55 -3.440 -9.835 8.254 299 HA THR 55 HA THR 55 -0.860 -9.511 7.463 300 HB THR 55 HB THR 55 -2.037 -11.758 8.824 301 HG1 THR 55 HG1 THR 55 -2.801 -9.987 10.005 302 1HG2 THR 55 HG22 THR 55 0.270 -10.080 9.414 303 2HG2 THR 55 HG21 THR 55 -0.518 -11.414 10.292 304 3HG2 THR 55 HG23 THR 55 0.359 -11.745 8.762 305 H ILE 56 HN ILE 56 -0.322 -9.895 5.264 306 HA ILE 56 HA ILE 56 -1.099 -12.047 3.617 307 HB ILE 56 HB ILE 56 1.591 -10.647 3.688 308 1HG1 ILE 56 HG12 ILE 56 -0.377 -9.188 3.487 309 2HG1 ILE 56 HG11 ILE 56 0.641 -9.110 2.055 310 1HG2 ILE 56 HG21 ILE 56 0.308 -12.266 1.424 311 2HG2 ILE 56 HG23 ILE 56 1.771 -11.313 1.283 312 3HG2 ILE 56 HG22 ILE 56 1.740 -12.713 2.326 313 1HD1 ILE 56 HD3 ILE 56 -1.039 -10.673 0.931 314 2HD1 ILE 56 HD2 ILE 56 -2.019 -10.600 2.391 315 3HD1 ILE 56 HD1 ILE 56 -1.752 -9.157 1.438 316 H VAL 57 HN VAL 57 -1.106 -13.936 4.170 317 HA VAL 57 HA VAL 57 1.267 -15.220 5.500 318 HB VAL 57 HB VAL 57 -0.484 -17.023 6.240 319 1HG1 VAL 57 HG12 VAL 57 0.772 -15.459 7.680 320 2HG1 VAL 57 HG11 VAL 57 -0.387 -14.192 7.352 321 3HG1 VAL 57 HG13 VAL 57 -0.867 -15.609 8.279 322 1HG2 VAL 57 HG21 VAL 57 -2.343 -15.914 4.758 323 2HG2 VAL 57 HG23 VAL 57 -2.851 -16.208 6.380 324 3HG2 VAL 57 HG22 VAL 57 -2.322 -14.603 5.946 325 H THR 58 HN THR 58 -1.051 -17.517 4.565 326 HA THR 58 HA THR 58 0.888 -19.177 3.680 327 HB THR 58 HB THR 58 -1.746 -19.755 2.836 328 HG1 THR 58 HG1 THR 58 -1.699 -19.793 5.487 329 1HG2 THR 58 HG22 THR 58 0.165 -21.281 3.358 330 2HG2 THR 58 HG21 THR 58 0.197 -20.777 5.014 331 3HG2 THR 58 HG23 THR 58 -1.192 -21.722 4.405 332 H MET 59 HN MET 59 1.942 -18.317 2.389 333 HA MET 59 HA MET 59 1.409 -18.450 -0.508 334 1HB MET 59 HB2 MET 59 3.961 -17.627 1.001 335 2HB MET 59 HB1 MET 59 3.766 -17.507 -0.738 336 1HG MET 59 HG2 MET 59 1.677 -16.106 0.843 337 2HG MET 59 HG1 MET 59 3.263 -15.437 0.987 338 1HE MET 59 HE2 MET 59 4.635 -14.771 -0.583 339 2HE MET 59 HE1 MET 59 4.407 -14.633 -2.310 340 3HE MET 59 HE3 MET 59 3.909 -13.305 -1.236 341 H GLU 60 HN GLU 60 3.200 -19.353 1.775 342 HA GLU 60 HA GLU 60 4.629 -21.767 1.013 343 1HB GLU 60 HB2 GLU 60 5.796 -21.222 2.970 344 2HB GLU 60 HB1 GLU 60 5.357 -19.699 2.314 345 1HG GLU 60 HG2 GLU 60 4.234 -19.117 4.249 346 2HG GLU 60 HG1 GLU 60 3.058 -20.367 3.954 347 OH TYR 61 OH TYR 61 -2.501 -27.992 3.907 348 H TYR 61 HN TYR 61 4.618 -23.520 3.108 349 HA TYR 61 HA TYR 61 1.935 -23.939 4.096 350 1HB TYR 61 HB2 TYR 61 2.034 -24.711 1.644 351 2HB TYR 61 HB1 TYR 61 3.065 -26.023 2.178 352 HD1 TYR 61 HD2 TYR 61 -0.097 -24.324 2.806 353 HD2 TYR 61 HD1 TYR 61 1.993 -27.998 3.138 354 HE1 TYR 61 HE2 TYR 61 -2.204 -25.444 3.402 355 HE2 TYR 61 HE1 TYR 61 -0.131 -29.139 3.690 356 HH TYR 61 HH TYR 61 -3.192 -27.481 3.479 357 NH1 ARG 62 NH2 ARG 62 8.599 -22.715 6.219 358 NH2 ARG 62 NH1 ARG 62 7.037 -21.983 4.807 359 H ARG 62 HN ARG 62 3.096 -23.848 6.117 360 HA ARG 62 HA ARG 62 4.641 -26.399 6.584 361 1HB ARG 62 HB2 ARG 62 4.778 -23.703 7.817 362 2HB ARG 62 HB1 ARG 62 4.552 -24.935 9.039 363 1HG ARG 62 HG2 ARG 62 6.980 -24.555 8.613 364 2HG ARG 62 HG1 ARG 62 6.480 -26.197 8.278 365 1HD ARG 62 HD2 ARG 62 7.968 -25.227 6.442 366 2HD ARG 62 HD1 ARG 62 6.404 -25.713 5.831 367 HE ARG 62 HE ARG 62 5.635 -23.322 6.133 368 1HH1 ARG 62 HH21 ARG 62 8.772 -23.364 6.952 369 2HH1 ARG 62 HH22 ARG 62 9.291 -22.071 5.907 370 1HH2 ARG 62 HH12 ARG 62 6.090 -22.125 4.516 371 2HH2 ARG 62 HH11 ARG 62 7.609 -21.276 4.411 372 H ILE 63 HN ILE 63 3.011 -27.335 6.140 373 HA ILE 63 HA ILE 63 0.464 -27.429 7.157 374 HB ILE 63 HB ILE 63 1.478 -28.786 5.367 375 1HG1 ILE 63 HG12 ILE 63 0.509 -30.932 5.728 376 2HG1 ILE 63 HG11 ILE 63 0.482 -30.639 7.482 377 1HG2 ILE 63 HG21 ILE 63 3.632 -29.207 6.479 378 2HG2 ILE 63 HG23 ILE 63 2.845 -30.289 7.611 379 3HG2 ILE 63 HG22 ILE 63 2.941 -30.712 5.906 380 1HD1 ILE 63 HD2 ILE 63 -1.157 -29.048 5.470 381 2HD1 ILE 63 HD1 ILE 63 -1.788 -30.300 6.500 382 3HD1 ILE 63 HD3 ILE 63 -1.087 -28.857 7.188 383 H ASP 64 HN ASP 64 2.998 -27.594 9.213 384 HA ASP 64 HA ASP 64 1.619 -29.009 11.371 385 1HB ASP 64 HB2 ASP 64 3.951 -28.443 12.446 386 2HB ASP 64 HB1 ASP 64 3.977 -29.555 11.081 387 NH1 ARG 65 NH1 ARG 65 4.730 -22.174 10.169 388 NH2 ARG 65 NH2 ARG 65 4.174 -21.613 8.053 389 H ARG 65 HN ARG 65 1.226 -26.106 10.086 390 HA ARG 65 HA ARG 65 0.639 -24.707 12.639 391 1HB ARG 65 HB2 ARG 65 2.648 -23.831 11.583 392 2HB ARG 65 HB1 ARG 65 1.767 -23.879 10.051 393 1HG ARG 65 HG2 ARG 65 0.257 -22.046 10.799 394 2HG ARG 65 HG1 ARG 65 0.994 -22.034 12.414 395 1HD ARG 65 HD2 ARG 65 1.721 -20.203 10.616 396 2HD ARG 65 HD1 ARG 65 2.988 -20.974 11.525 397 HE ARG 65 HE ARG 65 2.009 -22.034 8.837 398 1HH1 ARG 65 HH11 ARG 65 4.343 -22.282 11.079 399 2HH1 ARG 65 HH12 ARG 65 5.695 -22.319 9.980 400 1HH2 ARG 65 HH22 ARG 65 3.406 -21.477 7.426 401 2HH2 ARG 65 HH21 ARG 65 5.078 -21.543 7.646 402 H VAL 66 HN VAL 66 -1.475 -23.565 12.819 403 HA VAL 66 HA VAL 66 -3.030 -23.528 10.244 404 HB VAL 66 HB VAL 66 -4.219 -23.402 13.025 405 1HG1 VAL 66 HG11 VAL 66 -5.487 -24.069 10.315 406 2HG1 VAL 66 HG13 VAL 66 -6.296 -24.234 11.827 407 3HG1 VAL 66 HG12 VAL 66 -5.876 -22.598 11.216 408 1HG2 VAL 66 HG23 VAL 66 -4.078 -25.575 10.964 409 2HG2 VAL 66 HG22 VAL 66 -3.298 -25.684 12.548 410 3HG2 VAL 66 HG21 VAL 66 -5.083 -25.558 12.411 411 NH1 ARG 67 NH1 ARG 67 -0.395 -19.796 11.207 412 NH2 ARG 67 NH2 ARG 67 1.012 -18.098 10.552 413 H ARG 67 HN ARG 67 -4.035 -21.657 9.749 414 HA ARG 67 HA ARG 67 -2.830 -19.138 10.675 415 1HB ARG 67 HB2 ARG 67 -3.761 -20.337 8.154 416 2HB ARG 67 HB1 ARG 67 -4.573 -18.816 8.489 417 1HG ARG 67 HG2 ARG 67 -2.719 -18.570 6.946 418 2HG ARG 67 HG1 ARG 67 -2.835 -17.568 8.347 419 1HD ARG 67 HD2 ARG 67 -0.886 -19.868 8.232 420 2HD ARG 67 HD1 ARG 67 -0.497 -18.208 7.740 421 HE ARG 67 HE ARG 67 -1.615 -17.718 10.110 422 1HH1 ARG 67 HH12 ARG 67 -1.290 -20.179 10.971 423 2HH1 ARG 67 HH11 ARG 67 0.171 -20.210 11.909 424 1HH2 ARG 67 HH21 ARG 67 1.070 -17.368 9.871 425 2HH2 ARG 67 HH22 ARG 67 1.758 -18.281 11.187 426 H LEU 68 HN LEU 68 -3.831 -18.157 12.286 427 HA LEU 68 HA LEU 68 -6.776 -18.251 12.417 428 1HB LEU 68 HB2 LEU 68 -4.638 -17.460 14.450 429 2HB LEU 68 HB1 LEU 68 -6.368 -17.324 14.720 430 HG LEU 68 HG LEU 68 -4.975 -19.975 14.114 431 1HD1 LEU 68 HD13 LEU 68 -4.208 -18.884 16.300 432 2HD1 LEU 68 HD12 LEU 68 -5.891 -18.804 16.793 433 3HD1 LEU 68 HD11 LEU 68 -5.133 -20.351 16.563 434 1HD2 LEU 68 HD22 LEU 68 -7.509 -19.733 13.774 435 2HD2 LEU 68 HD21 LEU 68 -7.130 -20.867 15.040 436 3HD2 LEU 68 HD23 LEU 68 -7.629 -19.239 15.441 437 H PHE 69 HN PHE 69 -6.940 -16.757 10.657 438 HA PHE 69 HA PHE 69 -6.212 -14.022 11.312 439 1HB PHE 69 HB2 PHE 69 -7.512 -15.407 8.843 440 2HB PHE 69 HB1 PHE 69 -7.595 -13.595 8.922 441 HD1 PHE 69 HD1 PHE 69 -5.902 -12.444 9.901 442 HD2 PHE 69 HD2 PHE 69 -5.266 -16.304 8.219 443 HE1 PHE 69 HE1 PHE 69 -3.535 -12.006 9.816 444 HE2 PHE 69 HE2 PHE 69 -2.967 -15.828 8.128 445 HZ PHE 69 HZ PHE 69 -2.005 -13.863 8.748 446 H VAL 70 HN VAL 70 -6.852 -13.377 12.841 447 HA VAL 70 HA VAL 70 -9.725 -13.528 13.708 448 HB VAL 70 HB VAL 70 -8.926 -13.172 15.957 449 1HG1 VAL 70 HG12 VAL 70 -8.493 -15.496 15.179 450 2HG1 VAL 70 HG11 VAL 70 -6.898 -14.990 14.605 451 3HG1 VAL 70 HG13 VAL 70 -7.292 -14.842 16.298 452 1HG2 VAL 70 HG22 VAL 70 -6.166 -12.719 14.725 453 2HG2 VAL 70 HG21 VAL 70 -7.135 -11.447 15.452 454 3HG2 VAL 70 HG23 VAL 70 -6.504 -12.747 16.434 455 H ASP 71 HN ASP 71 -10.334 -11.457 15.078 456 HA ASP 71 HA ASP 71 -9.576 -9.160 13.363 457 1HB ASP 71 HB2 ASP 71 -11.749 -8.287 13.906 458 2HB ASP 71 HB1 ASP 71 -11.963 -9.929 13.908 459 H LYS 72 HN LYS 72 -10.607 -7.530 15.265 460 HA LYS 72 HA LYS 72 -8.125 -7.224 16.875 461 1HB LYS 72 HB2 LYS 72 -9.386 -5.357 15.446 462 2HB LYS 72 HB1 LYS 72 -10.044 -4.955 17.027 463 1HG LYS 72 HG2 LYS 72 -7.091 -5.027 16.153 464 2HG LYS 72 HG1 LYS 72 -8.003 -3.638 16.654 465 1HD LYS 72 HD2 LYS 72 -6.704 -3.991 18.547 466 2HD LYS 72 HD1 LYS 72 -8.187 -4.747 19.007 467 1HE LYS 72 HE2 LYS 72 -6.480 -6.810 17.804 468 2HE LYS 72 HE1 LYS 72 -5.483 -5.843 18.848 469 1HZ LYS 72 HZ3 LYS 72 -7.981 -6.371 20.116 470 2HZ LYS 72 HZ2 LYS 72 -7.297 -7.827 19.665 471 3HZ LYS 72 HZ1 LYS 72 -6.425 -6.833 20.665 472 H LEU 73 HN LEU 73 -10.474 -8.734 17.413 473 HA LEU 73 HA LEU 73 -10.630 -8.400 20.375 474 1HB LEU 73 HB2 LEU 73 -12.763 -9.142 18.372 475 2HB LEU 73 HB1 LEU 73 -13.068 -9.087 20.107 476 HG LEU 73 HG LEU 73 -12.237 -6.770 18.326 477 1HD1 LEU 73 HD13 LEU 73 -14.997 -7.493 19.468 478 2HD1 LEU 73 HD12 LEU 73 -14.646 -6.007 18.597 479 3HD1 LEU 73 HD11 LEU 73 -14.517 -7.553 17.779 480 1HD2 LEU 73 HD22 LEU 73 -13.332 -6.832 21.210 481 2HD2 LEU 73 HD21 LEU 73 -11.672 -6.446 20.776 482 3HD2 LEU 73 HD23 LEU 73 -12.974 -5.359 20.329 483 H ASP 74 HN ASP 74 -8.999 -9.805 18.391 484 HA ASP 74 HA ASP 74 -8.275 -11.886 17.703 485 1HB ASP 74 HB2 ASP 74 -8.279 -12.506 20.462 486 2HB ASP 74 HB1 ASP 74 -6.822 -12.158 19.558 487 H ASN 75 HN ASN 75 -11.023 -11.807 17.541 488 HA ASN 75 HA ASN 75 -11.761 -14.656 17.980 489 1HB ASN 75 HB2 ASN 75 -13.408 -12.088 17.822 490 2HB ASN 75 HB1 ASN 75 -14.207 -13.651 17.678 491 1HD2 ASN 75 HD22 ASN 75 -14.709 -12.185 20.570 492 2HD2 ASN 75 HD21 ASN 75 -13.103 -11.602 20.362 493 H ILE 76 HN ILE 76 -12.782 -15.581 16.169 494 HA ILE 76 HA ILE 76 -11.313 -15.073 13.829 495 HB ILE 76 HB ILE 76 -13.166 -17.196 14.704 496 1HG1 ILE 76 HG12 ILE 76 -10.210 -16.599 14.120 497 2HG1 ILE 76 HG11 ILE 76 -10.934 -16.602 15.740 498 1HG2 ILE 76 HG22 ILE 76 -11.565 -16.807 12.057 499 2HG2 ILE 76 HG21 ILE 76 -12.400 -18.315 12.486 500 3HG2 ILE 76 HG23 ILE 76 -13.298 -16.870 12.105 501 1HD1 ILE 76 HD3 ILE 76 -11.604 -18.764 15.565 502 2HD1 ILE 76 HD2 ILE 76 -10.833 -18.904 13.963 503 3HD1 ILE 76 HD1 ILE 76 -9.837 -18.595 15.419 504 H ALA 77 HN ALA 77 -11.648 -14.059 12.432 505 HA ALA 77 HA ALA 77 -14.103 -12.735 11.697 506 1HB ALA 77 HB3 ALA 77 -12.177 -11.751 12.861 507 2HB ALA 77 HB2 ALA 77 -11.071 -12.362 11.685 508 3HB ALA 77 HB1 ALA 77 -12.162 -11.014 11.250 509 H GLN 78 HN GLN 78 -11.454 -14.468 10.310 510 HA GLN 78 HA GLN 78 -13.129 -14.976 7.813 511 1HB GLN 78 HB2 GLN 78 -10.586 -13.716 7.956 512 2HB GLN 78 HB1 GLN 78 -10.165 -15.357 7.531 513 1HG GLN 78 HG2 GLN 78 -12.363 -13.951 5.937 514 2HG GLN 78 HG1 GLN 78 -10.709 -13.537 5.585 515 1HE2 GLN 78 HE21 GLN 78 -11.943 -16.377 3.431 516 2HE2 GLN 78 HE22 GLN 78 -12.688 -14.900 3.805 517 H VAL 79 HN VAL 79 -12.743 -17.457 6.983 518 HA VAL 79 HA VAL 79 -12.712 -18.959 9.454 519 HB VAL 79 HB VAL 79 -12.717 -19.978 6.533 520 1HG1 VAL 79 HG11 VAL 79 -13.216 -21.450 9.169 521 2HG1 VAL 79 HG13 VAL 79 -13.342 -22.189 7.573 522 3HG1 VAL 79 HG12 VAL 79 -11.773 -21.759 8.207 523 1HG2 VAL 79 HG23 VAL 79 -14.810 -18.834 7.507 524 2HG2 VAL 79 HG22 VAL 79 -15.071 -20.557 7.214 525 3HG2 VAL 79 HG21 VAL 79 -14.658 -19.999 8.821 526 HA PRO 80 HA PRO 80 -8.331 -19.632 9.682 527 1HB PRO 80 HB2 PRO 80 -8.792 -21.898 11.520 528 2HB PRO 80 HB1 PRO 80 -8.139 -20.302 11.857 529 1HG PRO 80 HG2 PRO 80 -10.652 -20.883 12.773 530 2HG PRO 80 HG1 PRO 80 -10.298 -19.304 12.012 531 1HD PRO 80 HD1 PRO 80 -11.354 -21.734 10.534 532 2HD PRO 80 HD2 PRO 80 -12.242 -20.221 10.743 533 NH1 ARG 81 NH2 ARG 81 -8.959 -18.695 5.566 534 NH2 ARG 81 NH1 ARG 81 -8.762 -18.605 3.410 535 H ARG 81 HN ARG 81 -6.623 -21.327 9.134 536 HA ARG 81 HA ARG 81 -7.490 -23.776 7.803 537 1HB ARG 81 HB2 ARG 81 -6.677 -23.134 5.537 538 2HB ARG 81 HB1 ARG 81 -8.141 -22.324 6.074 539 1HG ARG 81 HG2 ARG 81 -6.801 -20.493 6.949 540 2HG ARG 81 HG1 ARG 81 -5.336 -21.295 6.468 541 1HD ARG 81 HD2 ARG 81 -5.966 -19.498 4.845 542 2HD ARG 81 HD1 ARG 81 -5.982 -21.106 4.105 543 HE ARG 81 HE ARG 81 -8.462 -21.114 4.305 544 1HH1 ARG 81 HH21 ARG 81 -8.792 -19.154 6.435 545 2HH1 ARG 81 HH22 ARG 81 -9.458 -17.829 5.545 546 1HH2 ARG 81 HH12 ARG 81 -8.432 -18.986 2.552 547 2HH2 ARG 81 HH11 ARG 81 -9.270 -17.753 3.477 548 H VAL 82 HN VAL 82 -5.621 -25.063 6.852 549 HA VAL 82 HA VAL 82 -3.255 -24.590 8.547 550 HB VAL 82 HB VAL 82 -3.617 -26.860 6.555 551 1HG1 VAL 82 HG13 VAL 82 -2.083 -26.493 9.198 552 2HG1 VAL 82 HG12 VAL 82 -2.219 -27.991 8.323 553 3HG1 VAL 82 HG11 VAL 82 -1.315 -26.626 7.621 554 1HG2 VAL 82 HG21 VAL 82 -4.502 -26.675 9.405 555 2HG2 VAL 82 HG23 VAL 82 -5.524 -26.743 7.978 556 3HG2 VAL 82 HG22 VAL 82 -4.523 -28.126 8.403 557 H GLY 83 HN GLY 83 -1.187 -24.400 8.065 558 1HA GLY 83 HA1 GLY 83 0.635 -24.632 6.415 559 2HA GLY 83 GLY 83 -0.227 -23.509 5.388 Start of MODEL 10 Raw file had 559 H/Q atoms Start of MODEL 10 1 H LEU 20 HN LEU 20 -9.439 -34.262 3.473 2 HA LEU 20 HA LEU 20 -7.976 -31.678 3.176 3 1HB LEU 20 HB2 LEU 20 -9.081 -32.699 1.125 4 2HB LEU 20 HB1 LEU 20 -10.626 -32.565 1.937 5 HG LEU 20 HG LEU 20 -10.125 -30.002 2.143 6 1HD1 LEU 20 HD12 LEU 20 -8.073 -30.730 0.013 7 2HD1 LEU 20 HD11 LEU 20 -8.561 -29.108 0.475 8 3HD1 LEU 20 HD13 LEU 20 -7.703 -30.110 1.622 9 1HD2 LEU 20 HD21 LEU 20 -10.502 -31.232 -0.613 10 2HD2 LEU 20 HD23 LEU 20 -11.768 -30.953 0.577 11 3HD2 LEU 20 HD22 LEU 20 -10.924 -29.592 -0.135 12 H LYS 21 HN LYS 21 -8.446 -32.025 5.693 13 HA LYS 21 HA LYS 21 -10.812 -30.283 6.334 14 1HB LYS 21 HB2 LYS 21 -10.332 -32.822 7.271 15 2HB LYS 21 HB1 LYS 21 -9.528 -31.873 8.507 16 1HG LYS 21 HG2 LYS 21 -12.413 -31.426 7.593 17 2HG LYS 21 HG1 LYS 21 -11.995 -32.271 9.065 18 1HD LYS 21 HD2 LYS 21 -10.611 -29.878 9.439 19 2HD LYS 21 HD1 LYS 21 -11.908 -29.305 8.414 20 1HE LYS 21 HE2 LYS 21 -13.607 -30.147 10.002 21 2HE LYS 21 HE1 LYS 21 -12.338 -30.842 11.013 22 1HZ LYS 21 HZ1 LYS 21 -11.778 -28.086 10.442 23 2HZ LYS 21 HZ3 LYS 21 -13.277 -28.236 11.211 24 3HZ LYS 21 HZ2 LYS 21 -11.948 -28.944 11.925 25 H THR 22 HN THR 22 -9.015 -29.030 5.317 26 HA THR 22 HA THR 22 -6.753 -28.198 7.149 27 HB THR 22 HB THR 22 -5.852 -27.102 5.020 28 HG1 THR 22 HG1 THR 22 -8.267 -27.400 4.082 29 1HG2 THR 22 HG23 THR 22 -6.698 -30.014 4.686 30 2HG2 THR 22 HG22 THR 22 -5.358 -29.233 3.871 31 3HG2 THR 22 HG21 THR 22 -5.274 -29.539 5.608 32 H GLU 23 HN GLU 23 -9.671 -27.468 7.143 33 HA GLU 23 HA GLU 23 -9.250 -24.639 7.844 34 1HB GLU 23 HB2 GLU 23 -11.411 -24.054 6.658 35 2HB GLU 23 HB1 GLU 23 -10.096 -24.552 5.608 36 1HG GLU 23 HG2 GLU 23 -12.289 -26.501 6.466 37 2HG GLU 23 HG1 GLU 23 -12.319 -25.634 4.945 38 CH2 TRP 24 CH2 TRP 24 -6.748 -27.651 10.675 39 H TRP 24 HN TRP 24 -10.564 -23.806 9.329 40 HA TRP 24 HA TRP 24 -12.449 -25.621 10.761 41 1HB TRP 24 HB2 TRP 24 -10.302 -23.783 12.043 42 2HB TRP 24 HB1 TRP 24 -11.466 -24.660 12.853 43 HD1 TRP 24 HD1 TRP 24 -11.591 -26.688 13.408 44 HE1 TRP 24 HE1 TRP 24 -9.903 -28.624 13.275 45 HE3 TRP 24 HE3 TRP 24 -8.365 -24.722 10.258 46 HZ2 TRP 24 HZ2 TRP 24 -7.412 -29.231 11.940 47 HZ3 TRP 24 HZ3 TRP 24 -6.373 -25.896 9.516 48 HH2 TRP 24 HH2 TRP 24 -5.863 -28.181 10.345 49 HA PRO 25 HA PRO 25 -14.551 -21.784 9.676 50 1HB PRO 25 HB2 PRO 25 -16.388 -22.706 7.987 51 2HB PRO 25 HB1 PRO 25 -14.670 -22.869 7.542 52 1HG PRO 25 HG2 PRO 25 -16.311 -25.037 8.915 53 2HG PRO 25 HG1 PRO 25 -15.519 -25.110 7.333 54 1HD PRO 25 HD1 PRO 25 -14.165 -25.882 9.604 55 2HD PRO 25 HD2 PRO 25 -13.324 -25.046 8.265 56 H GLU 26 HN GLU 26 -15.430 -24.685 11.301 57 HA GLU 26 HA GLU 26 -18.028 -23.698 12.168 58 1HB GLU 26 HB2 GLU 26 -18.078 -25.788 13.440 59 2HB GLU 26 HB1 GLU 26 -17.338 -26.136 11.886 60 1HG GLU 26 HG2 GLU 26 -15.710 -25.586 14.385 61 2HG GLU 26 HG1 GLU 26 -16.108 -27.195 13.828 62 H LEU 27 HN LEU 27 -14.689 -23.494 13.242 63 HA LEU 27 HA LEU 27 -15.518 -22.434 15.844 64 1HB LEU 27 HB2 LEU 27 -13.202 -22.841 16.442 65 2HB LEU 27 HB1 LEU 27 -13.812 -24.179 15.475 66 HG LEU 27 HG LEU 27 -12.691 -23.500 13.584 67 1HD1 LEU 27 HD12 LEU 27 -11.345 -21.422 15.308 68 2HD1 LEU 27 HD11 LEU 27 -10.777 -22.007 13.746 69 3HD1 LEU 27 HD13 LEU 27 -12.288 -21.134 13.844 70 1HD2 LEU 27 HD22 LEU 27 -11.190 -23.931 16.170 71 2HD2 LEU 27 HD21 LEU 27 -11.693 -25.130 15.039 72 3HD2 LEU 27 HD23 LEU 27 -10.381 -24.023 14.604 73 H VAL 28 HN VAL 28 -15.864 -20.999 13.258 74 HA VAL 28 HA VAL 28 -14.262 -18.567 13.467 75 HB VAL 28 HB VAL 28 -16.847 -19.348 12.023 76 1HG1 VAL 28 HG11 VAL 28 -15.315 -16.717 11.643 77 2HG1 VAL 28 HG13 VAL 28 -16.659 -17.279 10.670 78 3HG1 VAL 28 HG12 VAL 28 -16.922 -16.858 12.338 79 1HG2 VAL 28 HG21 VAL 28 -14.682 -20.363 11.202 80 2HG2 VAL 28 HG23 VAL 28 -15.442 -19.280 10.060 81 3HG2 VAL 28 HG22 VAL 28 -14.044 -18.749 10.977 82 H GLY 29 HN GLY 29 -15.313 -16.400 13.821 83 1HA GLY 29 HA2 GLY 29 -16.122 -14.896 15.419 84 2HA GLY 29 HA1 GLY 29 -17.604 -15.837 15.324 85 H LYS 30 HN LYS 30 -14.569 -16.938 16.391 86 HA LYS 30 HA LYS 30 -15.312 -16.949 19.264 87 1HB LYS 30 HB2 LYS 30 -14.183 -19.209 17.638 88 2HB LYS 30 HB1 LYS 30 -14.325 -19.280 19.390 89 1HG LYS 30 HG2 LYS 30 -16.737 -19.193 19.336 90 2HG LYS 30 HG1 LYS 30 -16.777 -18.870 17.618 91 1HD LYS 30 HD2 LYS 30 -15.374 -21.054 17.380 92 2HD LYS 30 HD1 LYS 30 -15.763 -21.367 19.048 93 1HE LYS 30 HE2 LYS 30 -17.292 -22.616 17.640 94 2HE LYS 30 HE1 LYS 30 -18.165 -21.378 18.524 95 1HZ LYS 30 HZ1 LYS 30 -17.316 -20.185 16.105 96 2HZ LYS 30 HZ3 LYS 30 -17.926 -21.710 15.699 97 3HZ LYS 30 HZ2 LYS 30 -18.901 -20.610 16.523 98 H SER 31 HN SER 31 -13.253 -17.720 20.596 99 HA SER 31 HA SER 31 -10.920 -16.055 19.555 100 1HB SER 31 HB2 SER 31 -10.038 -16.418 21.916 101 2HB SER 31 HB1 SER 31 -11.669 -15.816 22.012 102 HG SER 31 HG1 SER 31 -12.364 -18.134 22.094 103 H VAL 32 HN VAL 32 -9.030 -16.271 19.892 104 HA VAL 32 HA VAL 32 -8.528 -18.365 18.202 105 HB VAL 32 HB VAL 32 -7.521 -16.045 18.732 106 1HG1 VAL 32 HG12 VAL 32 -6.617 -16.481 20.982 107 2HG1 VAL 32 HG11 VAL 32 -5.496 -17.687 20.379 108 3HG1 VAL 32 HG13 VAL 32 -5.308 -16.004 19.929 109 1HG2 VAL 32 HG23 VAL 32 -6.637 -17.331 16.763 110 2HG2 VAL 32 HG22 VAL 32 -5.319 -16.488 17.549 111 3HG2 VAL 32 HG21 VAL 32 -5.509 -18.211 17.789 112 H GLU 33 HN GLU 33 -8.234 -18.097 21.668 113 HA GLU 33 HA GLU 33 -6.643 -20.467 22.069 114 1HB GLU 33 HB2 GLU 33 -8.597 -18.944 23.833 115 2HB GLU 33 HB1 GLU 33 -7.892 -20.383 24.492 116 1HG GLU 33 HG2 GLU 33 -6.551 -17.757 23.676 117 2HG GLU 33 HG1 GLU 33 -6.416 -18.572 25.211 118 H GLU 34 HN GLU 34 -10.060 -20.053 22.046 119 HA GLU 34 HA GLU 34 -10.810 -22.812 22.433 120 1HB GLU 34 HB2 GLU 34 -12.147 -20.585 20.811 121 2HB GLU 34 HB1 GLU 34 -12.903 -22.139 21.129 122 1HG GLU 34 HG2 GLU 34 -12.856 -21.691 23.580 123 2HG GLU 34 HG1 GLU 34 -12.015 -20.176 23.304 124 H ALA 35 HN ALA 35 -10.344 -20.884 19.466 125 HA ALA 35 HA ALA 35 -10.526 -22.881 17.581 126 1HB ALA 35 HB1 ALA 35 -8.523 -20.592 17.654 127 2HB ALA 35 HB3 ALA 35 -8.993 -21.478 16.193 128 3HB ALA 35 HB2 ALA 35 -10.171 -20.522 17.055 129 H LYS 36 HN LYS 36 -7.493 -22.007 19.217 130 HA LYS 36 HA LYS 36 -5.798 -23.834 18.040 131 1HB LYS 36 HB2 LYS 36 -5.973 -22.607 20.822 132 2HB LYS 36 HB1 LYS 36 -4.592 -23.568 20.297 133 1HG LYS 36 HG2 LYS 36 -3.962 -22.018 18.627 134 2HG LYS 36 HG1 LYS 36 -5.511 -21.235 18.580 135 1HD LYS 36 HD2 LYS 36 -3.778 -19.821 19.658 136 2HD LYS 36 HD1 LYS 36 -5.076 -20.162 20.767 137 1HE LYS 36 HE2 LYS 36 -3.732 -21.909 21.849 138 2HE LYS 36 HE1 LYS 36 -2.412 -21.652 20.711 139 1HZ LYS 36 HZ2 LYS 36 -3.257 -19.142 21.803 140 2HZ LYS 36 HZ1 LYS 36 -3.101 -20.148 23.041 141 3HZ LYS 36 HZ3 LYS 36 -1.736 -19.865 22.002 142 H LYS 37 HN LYS 37 -7.649 -24.100 20.902 143 HA LYS 37 HA LYS 37 -6.956 -26.685 21.492 144 1HB LYS 37 HB2 LYS 37 -9.401 -25.026 22.138 145 2HB LYS 37 HB1 LYS 37 -9.150 -26.605 22.877 146 1HG LYS 37 HG2 LYS 37 -7.190 -25.994 23.981 147 2HG LYS 37 HG1 LYS 37 -6.802 -24.682 22.901 148 1HD LYS 37 HD2 LYS 37 -8.880 -23.456 23.950 149 2HD LYS 37 HD1 LYS 37 -8.906 -24.748 25.124 150 1HE LYS 37 HE2 LYS 37 -7.618 -22.873 26.075 151 2HE LYS 37 HE1 LYS 37 -6.518 -24.207 25.742 152 1HZ LYS 37 HZ3 LYS 37 -6.740 -22.646 23.408 153 2HZ LYS 37 HZ2 LYS 37 -6.370 -21.556 24.627 154 3HZ LYS 37 HZ1 LYS 37 -5.337 -22.796 24.382 155 H VAL 38 HN VAL 38 -9.714 -25.591 19.729 156 HA VAL 38 HA VAL 38 -10.874 -28.141 19.040 157 HB VAL 38 HB VAL 38 -10.753 -25.639 17.263 158 1HG1 VAL 38 HG13 VAL 38 -12.696 -27.991 17.221 159 2HG1 VAL 38 HG12 VAL 38 -12.809 -26.599 16.165 160 3HG1 VAL 38 HG11 VAL 38 -11.459 -27.692 16.013 161 1HG2 VAL 38 HG23 VAL 38 -11.869 -25.006 19.361 162 2HG2 VAL 38 HG22 VAL 38 -12.909 -24.967 17.953 163 3HG2 VAL 38 HG21 VAL 38 -13.041 -26.291 19.134 164 H ILE 39 HN ILE 39 -8.776 -26.142 17.208 165 HA ILE 39 HA ILE 39 -8.456 -27.784 14.952 166 HB ILE 39 HB ILE 39 -6.654 -25.726 16.277 167 1HG1 ILE 39 HG12 ILE 39 -8.720 -25.702 14.034 168 2HG1 ILE 39 HG11 ILE 39 -8.948 -24.996 15.601 169 1HG2 ILE 39 HG23 ILE 39 -5.524 -27.270 14.550 170 2HG2 ILE 39 HG22 ILE 39 -6.801 -26.658 13.406 171 3HG2 ILE 39 HG21 ILE 39 -5.678 -25.561 14.149 172 1HD1 ILE 39 HD1 ILE 39 -6.822 -24.229 13.588 173 2HD1 ILE 39 HD3 ILE 39 -8.378 -23.354 13.933 174 3HD1 ILE 39 HD2 ILE 39 -7.083 -23.422 15.154 175 H LEU 40 HN LEU 40 -6.501 -27.578 17.870 176 HA LEU 40 HA LEU 40 -4.681 -29.600 17.167 177 1HB LEU 40 HB2 LEU 40 -5.929 -28.756 19.834 178 2HB LEU 40 HB1 LEU 40 -4.590 -29.835 19.716 179 HG LEU 40 HG LEU 40 -4.583 -26.871 19.057 180 1HD1 LEU 40 HD13 LEU 40 -4.414 -27.577 21.435 181 2HD1 LEU 40 HD12 LEU 40 -3.025 -28.576 20.999 182 3HD1 LEU 40 HD11 LEU 40 -2.933 -26.822 20.855 183 1HD2 LEU 40 HD22 LEU 40 -2.299 -28.771 18.592 184 2HD2 LEU 40 HD21 LEU 40 -3.271 -27.949 17.377 185 3HD2 LEU 40 HD23 LEU 40 -2.286 -27.015 18.445 186 H GLN 41 HN GLN 41 -7.964 -29.812 18.520 187 HA GLN 41 HA GLN 41 -7.894 -32.651 18.941 188 1HB GLN 41 HB2 GLN 41 -9.731 -31.078 19.680 189 2HB GLN 41 HB1 GLN 41 -10.254 -30.956 18.014 190 1HG GLN 41 HG2 GLN 41 -10.508 -33.557 18.037 191 2HG GLN 41 HG1 GLN 41 -10.406 -33.392 19.782 192 1HE2 GLN 41 HE21 GLN 41 -13.606 -31.672 18.001 193 2HE2 GLN 41 HE22 GLN 41 -12.137 -31.639 17.113 194 H ASP 42 HN ASP 42 -8.717 -30.839 16.204 195 HA ASP 42 HA ASP 42 -9.327 -32.993 14.357 196 1HB ASP 42 HB2 ASP 42 -8.643 -30.054 13.891 197 2HB ASP 42 HB1 ASP 42 -9.318 -31.121 12.658 198 H LYS 43 HN LYS 43 -6.464 -30.991 14.656 199 HA LYS 43 HA LYS 43 -4.908 -32.992 13.047 200 1HB LYS 43 HB2 LYS 43 -5.462 -30.930 11.793 201 2HB LYS 43 HB1 LYS 43 -4.623 -29.977 13.005 202 1HG LYS 43 HG2 LYS 43 -2.512 -31.019 12.519 203 2HG LYS 43 HG1 LYS 43 -3.242 -32.232 11.493 204 1HD LYS 43 HD2 LYS 43 -3.945 -30.419 9.892 205 2HD LYS 43 HD1 LYS 43 -3.180 -29.210 10.918 206 1HE LYS 43 HE2 LYS 43 -1.706 -31.587 9.706 207 2HE LYS 43 HE1 LYS 43 -1.752 -29.995 8.974 208 1HZ LYS 43 HZ2 LYS 43 -0.993 -29.624 11.695 209 2HZ LYS 43 HZ1 LYS 43 -0.190 -30.922 11.205 210 3HZ LYS 43 HZ3 LYS 43 -0.002 -29.492 10.314 211 HA PRO 44 HA PRO 44 -3.378 -33.368 17.493 212 1HB PRO 44 HB2 PRO 44 -1.650 -34.835 15.485 213 2HB PRO 44 HB1 PRO 44 -1.955 -35.279 17.165 214 1HG PRO 44 HG2 PRO 44 -3.516 -36.175 14.995 215 2HG PRO 44 HG1 PRO 44 -4.153 -36.062 16.634 216 1HD PRO 44 HD1 PRO 44 -5.020 -34.507 14.353 217 2HD PRO 44 HD2 PRO 44 -5.498 -34.231 16.036 218 H GLU 45 HN GLU 45 -0.759 -32.836 15.039 219 HA GLU 45 HA GLU 45 0.689 -31.396 17.101 220 1HB GLU 45 HB2 GLU 45 2.508 -31.644 15.407 221 2HB GLU 45 HB1 GLU 45 1.650 -33.088 15.943 222 1HG GLU 45 HG2 GLU 45 2.233 -32.751 13.358 223 2HG GLU 45 HG1 GLU 45 0.899 -33.716 13.900 224 H ALA 46 HN ALA 46 -1.596 -30.102 15.155 225 HA ALA 46 HA ALA 46 -0.490 -28.024 13.756 226 1HB ALA 46 HB2 ALA 46 -2.929 -28.512 13.893 227 2HB ALA 46 HB1 ALA 46 -3.012 -27.974 15.525 228 3HB ALA 46 HB3 ALA 46 -2.669 -26.829 14.268 229 H GLN 47 HN GLN 47 1.283 -26.895 14.359 230 HA GLN 47 HA GLN 47 1.546 -25.579 16.970 231 1HB GLN 47 HB2 GLN 47 3.269 -25.419 14.409 232 2HB GLN 47 HB1 GLN 47 3.738 -24.829 15.985 233 1HG GLN 47 HG2 GLN 47 3.234 -27.770 15.294 234 2HG GLN 47 HG1 GLN 47 4.787 -27.032 15.661 235 1HE2 GLN 47 HE21 GLN 47 2.674 -28.378 18.683 236 2HE2 GLN 47 HE22 GLN 47 2.370 -28.780 17.040 237 H ILE 48 HN ILE 48 -0.318 -24.529 16.799 238 HA ILE 48 HA ILE 48 -1.020 -22.789 14.573 239 HB ILE 48 HB ILE 48 -2.127 -23.313 17.176 240 1HG1 ILE 48 HG12 ILE 48 -2.728 -24.366 14.352 241 2HG1 ILE 48 HG11 ILE 48 -1.999 -25.236 15.659 242 1HG2 ILE 48 HG22 ILE 48 -3.353 -21.802 14.841 243 2HG2 ILE 48 HG21 ILE 48 -4.276 -22.280 16.256 244 3HG2 ILE 48 HG23 ILE 48 -2.995 -21.097 16.407 245 1HD1 ILE 48 HD3 ILE 48 -4.098 -25.174 16.899 246 2HD1 ILE 48 HD2 ILE 48 -4.796 -24.276 15.492 247 3HD1 ILE 48 HD1 ILE 48 -4.127 -25.894 15.300 248 H ILE 49 HN ILE 49 -0.912 -20.800 14.291 249 HA ILE 49 HA ILE 49 0.309 -18.921 16.239 250 HB ILE 49 HB ILE 49 0.952 -19.565 13.516 251 1HG1 ILE 49 HG12 ILE 49 3.365 -19.046 14.351 252 2HG1 ILE 49 HG11 ILE 49 2.645 -18.935 15.937 253 1HG2 ILE 49 HG21 ILE 49 1.453 -16.807 14.708 254 2HG2 ILE 49 HG23 ILE 49 2.245 -17.355 13.238 255 3HG2 ILE 49 HG22 ILE 49 0.508 -17.155 13.270 256 1HD1 ILE 49 HD2 ILE 49 2.516 -21.436 14.159 257 2HD1 ILE 49 HD1 ILE 49 3.614 -21.175 15.504 258 3HD1 ILE 49 HD3 ILE 49 1.915 -21.301 15.805 259 H VAL 50 HN VAL 50 -0.633 -16.989 16.415 260 HA VAL 50 HA VAL 50 -3.148 -16.467 14.912 261 HB VAL 50 HB VAL 50 -3.109 -16.395 17.394 262 1HG1 VAL 50 HG11 VAL 50 -0.810 -15.442 17.688 263 2HG1 VAL 50 HG13 VAL 50 -1.331 -13.926 16.989 264 3HG1 VAL 50 HG12 VAL 50 -1.995 -14.464 18.515 265 1HG2 VAL 50 HG21 VAL 50 -4.794 -14.982 16.110 266 2HG2 VAL 50 HG23 VAL 50 -4.330 -14.222 17.623 267 3HG2 VAL 50 HG22 VAL 50 -3.656 -13.656 16.110 268 H LEU 51 HN LEU 51 -3.633 -14.717 13.780 269 HA LEU 51 HA LEU 51 -1.667 -12.508 13.526 270 1HB LEU 51 HB2 LEU 51 -2.995 -13.944 11.187 271 2HB LEU 51 HB1 LEU 51 -2.038 -12.491 11.039 272 HG LEU 51 HG LEU 51 -0.092 -13.933 12.050 273 1HD1 LEU 51 HD13 LEU 51 -2.019 -16.048 10.929 274 2HD1 LEU 51 HD12 LEU 51 -0.365 -16.339 11.442 275 3HD1 LEU 51 HD11 LEU 51 -1.591 -15.959 12.613 276 1HD2 LEU 51 HD22 LEU 51 -0.353 -13.106 9.583 277 2HD2 LEU 51 HD21 LEU 51 0.481 -14.646 9.738 278 3HD2 LEU 51 HD23 LEU 51 -1.195 -14.613 9.262 279 HA PRO 52 HA PRO 52 -5.691 -10.489 13.591 280 1HB PRO 52 HB2 PRO 52 -5.021 -7.903 13.157 281 2HB PRO 52 HB1 PRO 52 -4.384 -8.744 14.577 282 1HG PRO 52 HG2 PRO 52 -3.003 -8.398 11.822 283 2HG PRO 52 HG1 PRO 52 -2.347 -7.957 13.398 284 1HD PRO 52 HD1 PRO 52 -1.781 -10.395 12.240 285 2HD PRO 52 HD2 PRO 52 -1.924 -10.220 14.004 286 H VAL 53 HN VAL 53 -7.228 -10.318 11.932 287 HA VAL 53 HA VAL 53 -6.956 -11.307 9.376 288 HB VAL 53 HB VAL 53 -8.855 -9.405 10.380 289 1HG1 VAL 53 HG13 VAL 53 -8.845 -11.086 7.782 290 2HG1 VAL 53 HG12 VAL 53 -10.240 -10.148 8.308 291 3HG1 VAL 53 HG11 VAL 53 -8.783 -9.338 7.767 292 1HG2 VAL 53 HG22 VAL 53 -8.622 -11.770 11.275 293 2HG2 VAL 53 HG21 VAL 53 -10.154 -11.519 10.420 294 3HG2 VAL 53 HG23 VAL 53 -8.813 -12.336 9.656 295 H GLY 54 HN GLY 54 -6.212 -10.971 7.668 296 1HA GLY 54 HA1 GLY 54 -6.024 -9.327 5.647 297 2HA GLY 54 HA2 GLY 54 -5.464 -8.129 6.798 298 H THR 55 HN THR 55 -3.680 -9.646 8.244 299 HA THR 55 HA THR 55 -1.196 -9.499 7.078 300 HB THR 55 HB THR 55 -2.059 -11.435 9.138 301 HG1 THR 55 HG1 THR 55 -2.975 -9.553 9.988 302 1HG2 THR 55 HG21 THR 55 0.270 -11.168 8.938 303 2HG2 THR 55 HG23 THR 55 -0.003 -9.442 9.330 304 3HG2 THR 55 HG22 THR 55 -0.678 -10.731 10.381 305 H ILE 56 HN ILE 56 0.296 -11.336 6.539 306 HA ILE 56 HA ILE 56 -0.724 -12.841 4.354 307 HB ILE 56 HB ILE 56 1.853 -13.051 5.928 308 1HG1 ILE 56 HG12 ILE 56 1.620 -11.003 4.551 309 2HG1 ILE 56 HG11 ILE 56 2.888 -12.029 3.937 310 1HG2 ILE 56 HG22 ILE 56 1.210 -14.663 3.416 311 2HG2 ILE 56 HG21 ILE 56 2.802 -14.479 4.114 312 3HG2 ILE 56 HG23 ILE 56 1.553 -15.312 5.004 313 1HD1 ILE 56 HD3 ILE 56 1.359 -12.869 2.132 314 2HD1 ILE 56 HD2 ILE 56 0.074 -11.836 2.727 315 3HD1 ILE 56 HD1 ILE 56 1.533 -11.134 2.068 316 H VAL 57 HN VAL 57 -1.420 -14.639 3.952 317 HA VAL 57 HA VAL 57 -1.680 -16.954 5.859 318 HB VAL 57 HB VAL 57 -3.763 -16.991 3.957 319 1HG1 VAL 57 HG13 VAL 57 -3.786 -16.936 7.003 320 2HG1 VAL 57 HG12 VAL 57 -5.156 -17.246 6.005 321 3HG1 VAL 57 HG11 VAL 57 -3.776 -18.316 5.963 322 1HG2 VAL 57 HG22 VAL 57 -3.535 -14.508 5.815 323 2HG2 VAL 57 HG21 VAL 57 -3.624 -14.590 4.033 324 3HG2 VAL 57 HG23 VAL 57 -5.029 -15.028 5.023 325 H THR 58 HN THR 58 -2.509 -16.754 2.511 326 HA THR 58 HA THR 58 -1.088 -19.219 2.084 327 HB THR 58 HB THR 58 -2.475 -18.125 -0.098 328 HG1 THR 58 HG1 THR 58 -4.484 -18.052 0.786 329 1HG2 THR 58 HG22 THR 58 -1.879 -20.542 0.617 330 2HG2 THR 58 HG21 THR 58 -2.976 -20.355 1.962 331 3HG2 THR 58 HG23 THR 58 -3.634 -20.436 0.318 332 H MET 59 HN MET 59 0.757 -18.686 2.170 333 HA MET 59 HA MET 59 2.350 -17.525 -0.069 334 1HB MET 59 HB2 MET 59 2.609 -17.085 2.567 335 2HB MET 59 HB1 MET 59 3.424 -18.633 2.563 336 1HG MET 59 HG2 MET 59 5.199 -17.127 2.246 337 2HG MET 59 HG1 MET 59 4.838 -17.472 0.580 338 1HE MET 59 HE3 MET 59 4.054 -16.183 -1.045 339 2HE MET 59 HE2 MET 59 2.566 -15.341 -0.576 340 3HE MET 59 HE1 MET 59 4.013 -14.445 -1.065 341 H GLU 60 HN GLU 60 4.340 -19.337 0.888 342 HA GLU 60 HA GLU 60 3.867 -21.867 -0.525 343 1HB GLU 60 HB2 GLU 60 6.225 -22.143 0.417 344 2HB GLU 60 HB1 GLU 60 6.096 -20.750 -0.618 345 1HG GLU 60 HG2 GLU 60 7.404 -20.239 1.425 346 2HG GLU 60 HG1 GLU 60 5.949 -19.284 1.496 347 OH TYR 61 OH TYR 61 -2.634 -26.177 4.823 348 H TYR 61 HN TYR 61 4.510 -23.805 1.485 349 HA TYR 61 HA TYR 61 2.313 -23.117 3.394 350 1HB TYR 61 HB2 TYR 61 1.965 -24.596 1.393 351 2HB TYR 61 HB1 TYR 61 2.864 -25.833 2.252 352 HD1 TYR 61 HD1 TYR 61 0.124 -23.398 2.614 353 HD2 TYR 61 HD2 TYR 61 1.631 -27.181 3.712 354 HE1 TYR 61 HE1 TYR 61 -2.041 -23.935 3.630 355 HE2 TYR 61 HE2 TYR 61 -0.577 -27.721 4.745 356 HH TYR 61 HH TYR 61 -3.194 -25.385 4.787 357 NH1 ARG 62 NH1 ARG 62 6.883 -19.660 6.473 358 NH2 ARG 62 NH2 ARG 62 7.956 -20.744 4.840 359 H ARG 62 HN ARG 62 2.463 -23.423 5.430 360 HA ARG 62 HA ARG 62 4.741 -25.056 6.434 361 1HB ARG 62 HB2 ARG 62 3.897 -22.279 6.930 362 2HB ARG 62 HB1 ARG 62 3.738 -23.195 8.422 363 1HG ARG 62 HG2 ARG 62 5.989 -22.175 8.255 364 2HG ARG 62 HG1 ARG 62 6.108 -23.920 8.159 365 1HD ARG 62 HD2 ARG 62 7.535 -23.004 6.421 366 2HD ARG 62 HD1 ARG 62 6.138 -23.656 5.607 367 HE ARG 62 HE ARG 62 5.268 -21.316 5.262 368 1HH1 ARG 62 HH12 ARG 62 6.086 -19.719 7.060 369 2HH1 ARG 62 HH11 ARG 62 7.543 -18.919 6.483 370 1HH2 ARG 62 HH22 ARG 62 7.869 -21.569 4.275 371 2HH2 ARG 62 HH21 ARG 62 8.704 -20.102 4.731 372 H ILE 63 HN ILE 63 3.090 -26.505 5.765 373 HA ILE 63 HA ILE 63 0.736 -27.092 7.132 374 HB ILE 63 HB ILE 63 1.662 -28.466 5.220 375 1HG1 ILE 63 HG12 ILE 63 1.378 -30.760 5.975 376 2HG1 ILE 63 HG11 ILE 63 1.437 -30.190 7.638 377 1HG2 ILE 63 HG22 ILE 63 4.029 -28.313 5.963 378 2HG2 ILE 63 HG21 ILE 63 3.688 -29.414 7.280 379 3HG2 ILE 63 HG23 ILE 63 3.600 -29.982 5.616 380 1HD1 ILE 63 HD3 ILE 63 -0.568 -28.936 7.342 381 2HD1 ILE 63 HD2 ILE 63 -0.768 -29.454 5.669 382 3HD1 ILE 63 HD1 ILE 63 -0.895 -30.618 6.963 383 H ASP 64 HN ASP 64 3.444 -26.816 8.848 384 HA ASP 64 HA ASP 64 2.815 -28.596 11.065 385 1HB ASP 64 HB2 ASP 64 4.802 -27.239 11.986 386 2HB ASP 64 HB1 ASP 64 5.138 -28.057 10.454 387 NH1 ARG 65 NH2 ARG 65 4.560 -22.261 10.559 388 NH2 ARG 65 NH1 ARG 65 4.336 -20.157 9.883 389 H ARG 65 HN ARG 65 1.631 -25.712 9.957 390 HA ARG 65 HA ARG 65 0.658 -24.799 12.581 391 1HB ARG 65 HB2 ARG 65 2.465 -23.530 11.890 392 2HB ARG 65 HB1 ARG 65 1.812 -23.596 10.228 393 1HG ARG 65 HG2 ARG 65 -0.020 -22.034 10.798 394 2HG ARG 65 HG1 ARG 65 0.448 -22.022 12.501 395 1HD ARG 65 HD2 ARG 65 1.189 -20.052 10.957 396 2HD ARG 65 HD1 ARG 65 2.371 -20.788 12.056 397 HE ARG 65 HE ARG 65 2.167 -21.721 9.163 398 1HH1 ARG 65 HH22 ARG 65 4.156 -23.162 10.748 399 2HH1 ARG 65 HH21 ARG 65 5.533 -22.159 10.703 400 1HH2 ARG 65 HH12 ARG 65 3.644 -19.492 9.612 401 2HH2 ARG 65 HH11 ARG 65 5.311 -19.979 9.950 402 H VAL 66 HN VAL 66 -1.414 -23.817 12.842 403 HA VAL 66 HA VAL 66 -3.077 -23.710 10.378 404 HB VAL 66 HB VAL 66 -4.152 -23.592 13.182 405 1HG1 VAL 66 HG11 VAL 66 -5.297 -24.278 10.415 406 2HG1 VAL 66 HG13 VAL 66 -6.220 -24.297 11.884 407 3HG1 VAL 66 HG12 VAL 66 -5.683 -22.731 11.210 408 1HG2 VAL 66 HG23 VAL 66 -4.054 -25.728 11.093 409 2HG2 VAL 66 HG22 VAL 66 -3.301 -25.883 12.684 410 3HG2 VAL 66 HG21 VAL 66 -5.091 -25.689 12.501 411 NH1 ARG 67 NH2 ARG 67 0.166 -17.323 6.994 412 NH2 ARG 67 NH1 ARG 67 0.991 -19.375 6.790 413 H ARG 67 HN ARG 67 -3.553 -21.776 9.758 414 HA ARG 67 HA ARG 67 -2.354 -19.447 11.083 415 1HB ARG 67 HB2 ARG 67 -2.184 -20.154 8.587 416 2HB ARG 67 HB1 ARG 67 -3.819 -19.561 8.414 417 1HG ARG 67 HG2 ARG 67 -2.315 -17.788 7.835 418 2HG ARG 67 HG1 ARG 67 -3.079 -17.301 9.339 419 1HD ARG 67 HD2 ARG 67 -0.521 -16.986 9.381 420 2HD ARG 67 HD1 ARG 67 -0.876 -18.320 10.454 421 HE ARG 67 HE ARG 67 -0.143 -19.895 8.675 422 1HH1 ARG 67 HH21 ARG 67 -0.356 -16.628 7.492 423 2HH1 ARG 67 HH22 ARG 67 0.587 -17.076 6.129 424 1HH2 ARG 67 HH12 ARG 67 1.146 -20.299 7.170 425 2HH2 ARG 67 HH11 ARG 67 1.377 -19.158 5.898 426 H LEU 68 HN LEU 68 -3.521 -18.330 12.484 427 HA LEU 68 HA LEU 68 -6.454 -18.376 12.196 428 1HB LEU 68 HB2 LEU 68 -4.521 -18.595 14.437 429 2HB LEU 68 HB1 LEU 68 -5.891 -17.570 14.794 430 HG LEU 68 HG LEU 68 -7.427 -19.442 14.144 431 1HD1 LEU 68 HD13 LEU 68 -4.853 -21.040 13.760 432 2HD1 LEU 68 HD12 LEU 68 -6.473 -21.708 13.691 433 3HD1 LEU 68 HD11 LEU 68 -5.925 -20.592 12.472 434 1HD2 LEU 68 HD22 LEU 68 -5.312 -20.268 16.127 435 2HD2 LEU 68 HD21 LEU 68 -6.787 -19.387 16.479 436 3HD2 LEU 68 HD23 LEU 68 -6.874 -21.030 15.923 437 H PHE 69 HN PHE 69 -6.561 -16.761 10.725 438 HA PHE 69 HA PHE 69 -5.972 -14.095 11.558 439 1HB PHE 69 HB2 PHE 69 -7.423 -15.452 9.209 440 2HB PHE 69 HB1 PHE 69 -7.594 -13.677 9.348 441 HD1 PHE 69 HD2 PHE 69 -5.855 -12.458 10.249 442 HD2 PHE 69 HD1 PHE 69 -5.300 -16.082 8.115 443 HE1 PHE 69 HE2 PHE 69 -3.661 -11.758 9.754 444 HE2 PHE 69 HE1 PHE 69 -3.094 -15.375 7.557 445 HZ PHE 69 HZ PHE 69 -2.236 -13.321 8.138 446 H VAL 70 HN VAL 70 -6.620 -13.344 13.111 447 HA VAL 70 HA VAL 70 -9.522 -13.658 13.995 448 HB VAL 70 HB VAL 70 -8.796 -13.462 16.256 449 1HG1 VAL 70 HG13 VAL 70 -8.322 -15.706 15.340 450 2HG1 VAL 70 HG12 VAL 70 -6.707 -15.214 14.852 451 3HG1 VAL 70 HG11 VAL 70 -7.165 -15.204 16.557 452 1HG2 VAL 70 HG21 VAL 70 -7.018 -11.696 16.069 453 2HG2 VAL 70 HG23 VAL 70 -6.501 -13.130 16.960 454 3HG2 VAL 70 HG22 VAL 70 -5.967 -12.883 15.299 455 H ASP 71 HN ASP 71 -10.271 -11.500 15.359 456 HA ASP 71 HA ASP 71 -9.609 -9.320 13.457 457 1HB ASP 71 HB2 ASP 71 -11.727 -8.376 14.028 458 2HB ASP 71 HB1 ASP 71 -11.987 -10.045 14.136 459 H LYS 72 HN LYS 72 -10.693 -7.652 15.391 460 HA LYS 72 HA LYS 72 -8.209 -6.751 16.677 461 1HB LYS 72 HB2 LYS 72 -10.959 -5.460 16.469 462 2HB LYS 72 HB1 LYS 72 -9.548 -4.595 17.046 463 1HG LYS 72 HG2 LYS 72 -9.843 -5.736 14.208 464 2HG LYS 72 HG1 LYS 72 -10.216 -4.086 14.638 465 1HD LYS 72 HD2 LYS 72 -7.845 -3.779 15.480 466 2HD LYS 72 HD1 LYS 72 -7.447 -5.389 14.924 467 1HE LYS 72 HE2 LYS 72 -8.505 -3.210 13.091 468 2HE LYS 72 HE1 LYS 72 -6.787 -3.439 13.362 469 1HZ LYS 72 HZ2 LYS 72 -8.043 -5.919 12.764 470 2HZ LYS 72 HZ1 LYS 72 -8.419 -4.823 11.526 471 3HZ LYS 72 HZ3 LYS 72 -6.804 -5.173 11.872 472 H LEU 73 HN LEU 73 -10.380 -8.592 17.451 473 HA LEU 73 HA LEU 73 -10.066 -8.409 20.415 474 1HB LEU 73 HB2 LEU 73 -12.487 -8.994 18.772 475 2HB LEU 73 HB1 LEU 73 -12.526 -9.023 20.539 476 HG LEU 73 HG LEU 73 -11.889 -6.632 18.763 477 1HD1 LEU 73 HD11 LEU 73 -14.477 -7.384 20.202 478 2HD1 LEU 73 HD13 LEU 73 -14.216 -5.855 19.371 479 3HD1 LEU 73 HD12 LEU 73 -14.200 -7.362 18.465 480 1HD2 LEU 73 HD22 LEU 73 -12.595 -6.805 21.762 481 2HD2 LEU 73 HD21 LEU 73 -10.993 -6.460 21.128 482 3HD2 LEU 73 HD23 LEU 73 -12.294 -5.303 20.903 483 H ASP 74 HN ASP 74 -8.564 -10.065 18.637 484 HA ASP 74 HA ASP 74 -8.165 -12.227 17.923 485 1HB ASP 74 HB2 ASP 74 -7.017 -12.834 19.817 486 2HB ASP 74 HB1 ASP 74 -7.836 -11.602 20.729 487 H ASN 75 HN ASN 75 -11.061 -11.691 17.694 488 HA ASN 75 HA ASN 75 -11.958 -14.482 18.037 489 1HB ASN 75 HB2 ASN 75 -13.383 -11.797 17.894 490 2HB ASN 75 HB1 ASN 75 -14.319 -13.272 17.674 491 1HD2 ASN 75 HD21 ASN 75 -14.479 -11.996 20.770 492 2HD2 ASN 75 HD22 ASN 75 -12.836 -11.579 20.430 493 H ILE 76 HN ILE 76 -12.653 -15.569 16.341 494 HA ILE 76 HA ILE 76 -11.221 -15.178 13.955 495 HB ILE 76 HB ILE 76 -13.234 -17.208 14.716 496 1HG1 ILE 76 HG12 ILE 76 -10.212 -16.673 14.493 497 2HG1 ILE 76 HG11 ILE 76 -11.092 -16.660 16.015 498 1HG2 ILE 76 HG21 ILE 76 -11.230 -16.927 12.332 499 2HG2 ILE 76 HG23 ILE 76 -12.222 -18.370 12.624 500 3HG2 ILE 76 HG22 ILE 76 -12.943 -16.864 12.097 501 1HD1 ILE 76 HD1 ILE 76 -11.730 -18.877 15.830 502 2HD1 ILE 76 HD3 ILE 76 -10.827 -18.949 14.295 503 3HD1 ILE 76 HD2 ILE 76 -9.967 -18.649 15.833 504 H ALA 77 HN ALA 77 -11.479 -14.130 12.554 505 HA ALA 77 HA ALA 77 -13.947 -12.807 11.769 506 1HB ALA 77 HB3 ALA 77 -10.965 -12.367 12.012 507 2HB ALA 77 HB2 ALA 77 -12.040 -11.037 11.441 508 3HB ALA 77 HB1 ALA 77 -12.207 -11.788 13.046 509 H GLN 78 HN GLN 78 -11.213 -14.466 10.573 510 HA GLN 78 HA GLN 78 -12.553 -14.834 7.889 511 1HB GLN 78 HB2 GLN 78 -10.372 -13.505 7.775 512 2HB GLN 78 HB1 GLN 78 -9.551 -14.813 8.596 513 1HG GLN 78 HG2 GLN 78 -10.176 -16.357 6.613 514 2HG GLN 78 HG1 GLN 78 -10.905 -14.970 5.818 515 1HE2 GLN 78 HE21 GLN 78 -7.881 -14.007 4.406 516 2HE2 GLN 78 HE22 GLN 78 -9.569 -13.867 4.408 517 H VAL 79 HN VAL 79 -12.058 -17.306 7.092 518 HA VAL 79 HA VAL 79 -12.285 -18.859 9.531 519 HB VAL 79 HB VAL 79 -12.105 -19.811 6.626 520 1HG1 VAL 79 HG13 VAL 79 -12.543 -21.387 9.232 521 2HG1 VAL 79 HG12 VAL 79 -12.640 -22.094 7.623 522 3HG1 VAL 79 HG11 VAL 79 -11.094 -21.564 8.233 523 1HG2 VAL 79 HG23 VAL 79 -14.096 -19.944 8.867 524 2HG2 VAL 79 HG22 VAL 79 -14.265 -18.793 7.538 525 3HG2 VAL 79 HG21 VAL 79 -14.419 -20.530 7.244 526 HA PRO 80 HA PRO 80 -7.871 -19.641 9.925 527 1HB PRO 80 HB2 PRO 80 -8.646 -21.655 11.971 528 2HB PRO 80 HB1 PRO 80 -7.810 -20.119 12.188 529 1HG PRO 80 HG2 PRO 80 -10.291 -20.247 13.067 530 2HG PRO 80 HG1 PRO 80 -9.823 -18.845 12.114 531 1HD PRO 80 HD1 PRO 80 -10.983 -21.413 10.948 532 2HD PRO 80 HD2 PRO 80 -11.849 -19.868 10.982 533 NH1 ARG 81 NH1 ARG 81 -7.524 -17.995 6.560 534 NH2 ARG 81 NH2 ARG 81 -6.832 -17.837 4.451 535 H ARG 81 HN ARG 81 -6.418 -21.292 9.268 536 HA ARG 81 HA ARG 81 -7.457 -23.827 8.167 537 1HB ARG 81 HB2 ARG 81 -7.157 -23.297 5.847 538 2HB ARG 81 HB1 ARG 81 -8.154 -22.037 6.543 539 1HG ARG 81 HG2 ARG 81 -5.963 -20.851 7.092 540 2HG ARG 81 HG1 ARG 81 -5.170 -22.070 6.140 541 1HD ARG 81 HD2 ARG 81 -5.446 -20.155 4.657 542 2HD ARG 81 HD1 ARG 81 -6.601 -21.391 4.169 543 HE ARG 81 HE ARG 81 -8.393 -20.089 5.285 544 1HH1 ARG 81 HH11 ARG 81 -7.867 -18.602 7.276 545 2HH1 ARG 81 HH12 ARG 81 -7.393 -17.018 6.726 546 1HH2 ARG 81 HH21 ARG 81 -6.679 -18.352 3.620 547 2HH2 ARG 81 HH22 ARG 81 -6.660 -16.861 4.528 548 H VAL 82 HN VAL 82 -5.636 -25.079 7.023 549 HA VAL 82 HA VAL 82 -3.253 -24.643 8.719 550 HB VAL 82 HB VAL 82 -3.748 -26.784 6.600 551 1HG1 VAL 82 HG12 VAL 82 -1.801 -26.484 8.941 552 2HG1 VAL 82 HG11 VAL 82 -1.969 -27.882 7.901 553 3HG1 VAL 82 HG13 VAL 82 -1.291 -26.397 7.246 554 1HG2 VAL 82 HG21 VAL 82 -4.090 -26.890 9.571 555 2HG2 VAL 82 HG23 VAL 82 -5.350 -26.974 8.334 556 3HG2 VAL 82 HG22 VAL 82 -4.169 -28.257 8.462 557 H GLY 83 HN GLY 83 -1.172 -24.317 8.061 558 1HA GLY 83 HA1 GLY 83 0.474 -24.227 6.204 559 2HA GLY 83 GLY 83 -0.562 -23.088 5.382 Start of MODEL 11 Raw file had 559 H/Q atoms Start of MODEL 11 1 H LEU 20 HN LEU 20 -7.441 -34.276 11.017 2 HA LEU 20 HA LEU 20 -7.404 -35.333 8.249 3 1HB LEU 20 HB2 LEU 20 -9.486 -36.326 8.740 4 2HB LEU 20 HB1 LEU 20 -8.750 -36.244 10.321 5 HG LEU 20 HG LEU 20 -10.745 -34.185 9.267 6 1HD1 LEU 20 HD12 LEU 20 -11.121 -36.537 11.140 7 2HD1 LEU 20 HD11 LEU 20 -12.325 -35.300 10.817 8 3HD1 LEU 20 HD13 LEU 20 -11.791 -36.363 9.526 9 1HD2 LEU 20 HD22 LEU 20 -9.692 -34.633 12.112 10 2HD2 LEU 20 HD21 LEU 20 -9.243 -33.291 11.076 11 3HD2 LEU 20 HD23 LEU 20 -10.889 -33.446 11.628 12 H LYS 21 HN LYS 21 -7.720 -32.358 9.440 13 HA LYS 21 HA LYS 21 -9.451 -31.242 7.260 14 1HB LYS 21 HB2 LYS 21 -9.208 -30.686 10.201 15 2HB LYS 21 HB1 LYS 21 -9.628 -29.351 9.148 16 1HG LYS 21 HG2 LYS 21 -11.632 -30.538 8.344 17 2HG LYS 21 HG1 LYS 21 -11.123 -32.017 9.098 18 1HD LYS 21 HD2 LYS 21 -12.975 -30.799 10.301 19 2HD LYS 21 HD1 LYS 21 -11.603 -31.152 11.310 20 1HE LYS 21 HE2 LYS 21 -10.876 -28.683 10.834 21 2HE LYS 21 HE1 LYS 21 -12.456 -28.493 10.104 22 1HZ LYS 21 HZ2 LYS 21 -12.833 -29.757 12.640 23 2HZ LYS 21 HZ1 LYS 21 -11.804 -28.509 12.897 24 3HZ LYS 21 HZ3 LYS 21 -13.300 -28.164 12.124 25 H THR 22 HN THR 22 -8.941 -29.458 6.319 26 HA THR 22 HA THR 22 -6.251 -28.228 6.908 27 HB THR 22 HB THR 22 -5.904 -27.788 4.465 28 HG1 THR 22 HG1 THR 22 -8.503 -28.738 4.256 29 1HG2 THR 22 HG22 THR 22 -5.120 -30.051 5.378 30 2HG2 THR 22 HG21 THR 22 -6.694 -30.698 4.915 31 3HG2 THR 22 HG23 THR 22 -5.602 -30.109 3.678 32 H GLU 23 HN GLU 23 -9.160 -27.869 7.496 33 HA GLU 23 HA GLU 23 -9.129 -24.952 7.258 34 1HB GLU 23 HB2 GLU 23 -11.310 -24.834 5.927 35 2HB GLU 23 HB1 GLU 23 -10.041 -25.720 5.092 36 1HG GLU 23 HG2 GLU 23 -12.402 -26.976 6.588 37 2HG GLU 23 HG1 GLU 23 -12.164 -26.941 4.850 38 CH2 TRP 24 CH2 TRP 24 -6.950 -27.916 10.063 39 H TRP 24 HN TRP 24 -10.739 -23.805 8.721 40 HA TRP 24 HA TRP 24 -12.173 -25.614 10.601 41 1HB TRP 24 HB2 TRP 24 -9.873 -23.671 11.140 42 2HB TRP 24 HB1 TRP 24 -10.888 -24.103 12.431 43 HD1 TRP 24 HD1 TRP 24 -11.153 -26.081 13.260 44 HE1 TRP 24 HE1 TRP 24 -9.584 -28.231 13.218 45 HE3 TRP 24 HE3 TRP 24 -8.334 -24.916 9.341 46 HZ2 TRP 24 HZ2 TRP 24 -7.518 -29.221 11.660 47 HZ3 TRP 24 HZ3 TRP 24 -6.642 -26.390 8.569 48 HH2 TRP 24 HH2 TRP 24 -6.189 -28.594 9.711 49 HA PRO 25 HA PRO 25 -15.013 -22.064 9.604 50 1HB PRO 25 HB2 PRO 25 -16.701 -24.584 9.421 51 2HB PRO 25 HB1 PRO 25 -16.770 -23.171 8.352 52 1HG PRO 25 HG2 PRO 25 -15.624 -25.493 7.562 53 2HG PRO 25 HG1 PRO 25 -14.868 -23.994 7.069 54 1HD PRO 25 HD1 PRO 25 -14.026 -25.915 9.305 55 2HD PRO 25 HD2 PRO 25 -13.064 -24.876 8.230 56 H GLU 26 HN GLU 26 -15.245 -24.846 11.461 57 HA GLU 26 HA GLU 26 -17.206 -24.354 13.349 58 1HB GLU 26 HB2 GLU 26 -14.451 -25.609 13.679 59 2HB GLU 26 HB1 GLU 26 -15.743 -25.813 14.858 60 1HG GLU 26 HG2 GLU 26 -15.725 -27.789 13.369 61 2HG GLU 26 HG1 GLU 26 -17.145 -26.842 12.979 62 H LEU 27 HN LEU 27 -14.138 -22.911 13.031 63 HA LEU 27 HA LEU 27 -13.940 -21.751 15.675 64 1HB LEU 27 HB2 LEU 27 -12.350 -21.405 13.148 65 2HB LEU 27 HB1 LEU 27 -11.880 -20.778 14.716 66 HG LEU 27 HG LEU 27 -12.140 -23.579 13.758 67 1HD1 LEU 27 HD13 LEU 27 -9.916 -21.780 14.865 68 2HD1 LEU 27 HD12 LEU 27 -9.648 -23.441 14.400 69 3HD1 LEU 27 HD11 LEU 27 -10.096 -22.277 13.194 70 1HD2 LEU 27 HD23 LEU 27 -11.712 -22.720 16.613 71 2HD2 LEU 27 HD22 LEU 27 -13.067 -23.623 15.975 72 3HD2 LEU 27 HD21 LEU 27 -11.467 -24.332 15.947 73 H VAL 28 HN VAL 28 -15.173 -20.538 12.677 74 HA VAL 28 HA VAL 28 -14.606 -17.810 12.938 75 HB VAL 28 HB VAL 28 -17.174 -19.114 11.994 76 1HG1 VAL 28 HG13 VAL 28 -15.827 -16.496 11.170 77 2HG1 VAL 28 HG12 VAL 28 -17.272 -17.172 10.434 78 3HG1 VAL 28 HG11 VAL 28 -17.318 -16.598 12.090 79 1HG2 VAL 28 HG21 VAL 28 -14.507 -18.625 10.491 80 2HG2 VAL 28 HG23 VAL 28 -15.104 -20.184 10.902 81 3HG2 VAL 28 HG22 VAL 28 -16.015 -19.208 9.801 82 H GLY 29 HN GLY 29 -15.285 -16.117 13.974 83 1HA GLY 29 HA1 GLY 29 -16.533 -14.773 15.499 84 2HA GLY 29 HA2 GLY 29 -17.681 -16.089 15.682 85 H LYS 30 HN LYS 30 -14.802 -17.531 16.265 86 HA LYS 30 HA LYS 30 -14.927 -16.935 19.178 87 1HB LYS 30 HB2 LYS 30 -14.205 -19.303 17.580 88 2HB LYS 30 HB1 LYS 30 -13.976 -19.287 19.303 89 1HG LYS 30 HG2 LYS 30 -16.366 -18.815 19.759 90 2HG LYS 30 HG1 LYS 30 -16.725 -18.683 18.045 91 1HD LYS 30 HD2 LYS 30 -15.599 -21.199 19.346 92 2HD LYS 30 HD1 LYS 30 -17.318 -20.948 19.139 93 1HE LYS 30 HE2 LYS 30 -15.318 -20.793 16.851 94 2HE LYS 30 HE1 LYS 30 -16.189 -22.234 17.310 95 1HZ LYS 30 HZ3 LYS 30 -18.114 -20.214 17.142 96 2HZ LYS 30 HZ2 LYS 30 -17.150 -19.951 15.804 97 3HZ LYS 30 HZ1 LYS 30 -17.834 -21.486 16.037 98 H SER 31 HN SER 31 -12.734 -17.775 20.301 99 HA SER 31 HA SER 31 -10.544 -16.187 18.987 100 1HB SER 31 HB2 SER 31 -9.636 -16.080 21.307 101 2HB SER 31 HB1 SER 31 -11.315 -16.319 21.627 102 HG SER 31 HG1 SER 31 -10.937 -18.284 22.134 103 H VAL 32 HN VAL 32 -8.665 -16.456 19.578 104 HA VAL 32 HA VAL 32 -7.958 -18.375 17.773 105 HB VAL 32 HB VAL 32 -7.180 -16.007 18.319 106 1HG1 VAL 32 HG11 VAL 32 -6.636 -16.376 20.695 107 2HG1 VAL 32 HG13 VAL 32 -5.300 -17.440 20.300 108 3HG1 VAL 32 HG12 VAL 32 -5.227 -15.737 19.874 109 1HG2 VAL 32 HG21 VAL 32 -4.933 -18.060 17.742 110 2HG2 VAL 32 HG23 VAL 32 -5.935 -17.284 16.518 111 3HG2 VAL 32 HG22 VAL 32 -4.792 -16.330 17.453 112 H GLU 33 HN GLU 33 -8.143 -18.457 21.116 113 HA GLU 33 HA GLU 33 -6.146 -20.551 21.549 114 1HB GLU 33 HB2 GLU 33 -6.447 -19.963 23.857 115 2HB GLU 33 HB1 GLU 33 -6.839 -18.473 23.060 116 1HG GLU 33 HG2 GLU 33 -8.547 -18.586 24.629 117 2HG GLU 33 HG1 GLU 33 -9.366 -19.297 23.276 118 H GLU 34 HN GLU 34 -9.525 -20.034 21.667 119 HA GLU 34 HA GLU 34 -10.597 -22.642 22.069 120 1HB GLU 34 HB2 GLU 34 -11.586 -20.347 20.286 121 2HB GLU 34 HB1 GLU 34 -12.542 -21.769 20.651 122 1HG GLU 34 HG2 GLU 34 -12.857 -21.143 22.933 123 2HG GLU 34 HG1 GLU 34 -11.484 -20.055 22.948 124 H ALA 35 HN ALA 35 -9.797 -20.892 19.106 125 HA ALA 35 HA ALA 35 -9.929 -22.990 17.296 126 1HB ALA 35 HB2 ALA 35 -8.013 -20.632 17.511 127 2HB ALA 35 HB1 ALA 35 -8.289 -21.513 16.022 128 3HB ALA 35 HB3 ALA 35 -9.599 -20.594 16.780 129 H LYS 36 HN LYS 36 -7.059 -22.315 19.434 130 HA LYS 36 HA LYS 36 -5.490 -24.215 18.013 131 1HB LYS 36 HB2 LYS 36 -5.420 -23.204 20.888 132 2HB LYS 36 HB1 LYS 36 -4.184 -24.278 20.239 133 1HG LYS 36 HG2 LYS 36 -3.609 -22.681 18.527 134 2HG LYS 36 HG1 LYS 36 -4.928 -21.625 18.949 135 1HD LYS 36 HD2 LYS 36 -3.867 -21.511 21.329 136 2HD LYS 36 HD1 LYS 36 -2.452 -22.270 20.643 137 1HE LYS 36 HE2 LYS 36 -3.673 -19.592 19.873 138 2HE LYS 36 HE1 LYS 36 -2.141 -19.842 20.719 139 1HZ LYS 36 HZ1 LYS 36 -2.182 -21.404 18.387 140 2HZ LYS 36 HZ3 LYS 36 -2.553 -19.797 17.932 141 3HZ LYS 36 HZ2 LYS 36 -1.098 -20.228 18.707 142 H LYS 37 HN LYS 37 -7.441 -24.368 20.789 143 HA LYS 37 HA LYS 37 -7.007 -27.055 21.441 144 1HB LYS 37 HB2 LYS 37 -9.495 -25.385 21.732 145 2HB LYS 37 HB1 LYS 37 -9.290 -26.927 22.568 146 1HG LYS 37 HG2 LYS 37 -7.301 -26.043 23.729 147 2HG LYS 37 HG1 LYS 37 -7.424 -24.538 22.820 148 1HD LYS 37 HD2 LYS 37 -9.576 -24.012 23.711 149 2HD LYS 37 HD1 LYS 37 -9.708 -25.577 24.507 150 1HE LYS 37 HE2 LYS 37 -8.047 -25.090 26.094 151 2HE LYS 37 HE1 LYS 37 -7.416 -23.747 25.131 152 1HZ LYS 37 HZ1 LYS 37 -10.037 -23.096 25.426 153 2HZ LYS 37 HZ3 LYS 37 -9.612 -23.657 27.009 154 3HZ LYS 37 HZ2 LYS 37 -8.797 -22.407 26.176 155 H VAL 38 HN VAL 38 -9.560 -25.655 19.556 156 HA VAL 38 HA VAL 38 -10.805 -28.092 18.694 157 HB VAL 38 HB VAL 38 -10.620 -25.400 17.339 158 1HG1 VAL 38 HG12 VAL 38 -12.551 -27.722 16.790 159 2HG1 VAL 38 HG11 VAL 38 -12.680 -26.148 16.039 160 3HG1 VAL 38 HG13 VAL 38 -11.312 -27.167 15.692 161 1HG2 VAL 38 HG21 VAL 38 -12.855 -26.519 19.063 162 2HG2 VAL 38 HG23 VAL 38 -11.759 -25.221 19.502 163 3HG2 VAL 38 HG22 VAL 38 -12.888 -24.995 18.186 164 H ILE 39 HN ILE 39 -8.541 -26.002 17.010 165 HA ILE 39 HA ILE 39 -8.381 -27.517 14.646 166 HB ILE 39 HB ILE 39 -6.306 -25.704 15.987 167 1HG1 ILE 39 HG12 ILE 39 -8.296 -25.382 13.677 168 2HG1 ILE 39 HG11 ILE 39 -8.487 -24.699 15.273 169 1HG2 ILE 39 HG23 ILE 39 -5.279 -27.323 14.251 170 2HG2 ILE 39 HG22 ILE 39 -6.540 -26.625 13.116 171 3HG2 ILE 39 HG21 ILE 39 -5.287 -25.639 13.764 172 1HD1 ILE 39 HD3 ILE 39 -6.340 -23.433 14.909 173 2HD1 ILE 39 HD2 ILE 39 -6.259 -24.165 13.263 174 3HD1 ILE 39 HD1 ILE 39 -7.591 -23.053 13.703 175 H LEU 40 HN LEU 40 -6.302 -27.595 17.526 176 HA LEU 40 HA LEU 40 -4.744 -29.761 16.594 177 1HB LEU 40 HB2 LEU 40 -5.637 -28.861 19.388 178 2HB LEU 40 HB1 LEU 40 -4.306 -29.942 19.078 179 HG LEU 40 HG LEU 40 -4.379 -27.073 18.025 180 1HD1 LEU 40 HD13 LEU 40 -4.178 -27.236 20.499 181 2HD1 LEU 40 HD12 LEU 40 -2.821 -28.339 20.299 182 3HD1 LEU 40 HD11 LEU 40 -2.688 -26.678 19.757 183 1HD2 LEU 40 HD21 LEU 40 -2.095 -29.039 18.092 184 2HD2 LEU 40 HD23 LEU 40 -2.980 -28.555 16.655 185 3HD2 LEU 40 HD22 LEU 40 -2.090 -27.370 17.570 186 H GLN 41 HN GLN 41 -7.968 -29.725 18.107 187 HA GLN 41 HA GLN 41 -8.100 -32.602 18.417 188 1HB GLN 41 HB2 GLN 41 -10.370 -30.669 17.705 189 2HB GLN 41 HB1 GLN 41 -10.600 -32.358 18.061 190 1HG GLN 41 HG2 GLN 41 -9.747 -32.083 20.338 191 2HG GLN 41 HG1 GLN 41 -9.295 -30.428 20.041 192 1HE2 GLN 41 HE22 GLN 41 -13.132 -29.992 19.903 193 2HE2 GLN 41 HE21 GLN 41 -12.078 -30.075 18.553 194 H ASP 42 HN ASP 42 -8.822 -30.616 15.770 195 HA ASP 42 HA ASP 42 -9.535 -32.683 13.851 196 1HB ASP 42 HB2 ASP 42 -8.685 -29.824 13.472 197 2HB ASP 42 HB1 ASP 42 -9.454 -30.791 12.228 198 H LYS 43 HN LYS 43 -6.749 -30.708 14.065 199 HA LYS 43 HA LYS 43 -5.049 -32.423 12.335 200 1HB LYS 43 HB2 LYS 43 -5.855 -30.421 11.204 201 2HB LYS 43 HB1 LYS 43 -5.431 -29.408 12.572 202 1HG LYS 43 HG2 LYS 43 -3.786 -28.982 10.947 203 2HG LYS 43 HG1 LYS 43 -3.045 -29.973 12.146 204 1HD LYS 43 HD2 LYS 43 -3.292 -32.015 10.748 205 2HD LYS 43 HD1 LYS 43 -4.099 -31.078 9.500 206 1HE LYS 43 HE2 LYS 43 -1.619 -31.438 9.057 207 2HE LYS 43 HE1 LYS 43 -2.062 -29.735 9.120 208 1HZ LYS 43 HZ1 LYS 43 -1.450 -30.815 11.736 209 2HZ LYS 43 HZ3 LYS 43 -0.196 -31.075 10.833 210 3HZ LYS 43 HZ2 LYS 43 -0.702 -29.473 10.986 211 HA PRO 44 HA PRO 44 -3.975 -32.475 17.064 212 1HB PRO 44 HB2 PRO 44 -2.496 -34.543 15.488 213 2HB PRO 44 HB1 PRO 44 -3.049 -34.601 17.159 214 1HG PRO 44 HG2 PRO 44 -4.539 -35.598 15.008 215 2HG PRO 44 HG1 PRO 44 -5.298 -35.061 16.506 216 1HD PRO 44 HD1 PRO 44 -5.517 -33.875 13.884 217 2HD PRO 44 HD2 PRO 44 -6.226 -33.255 15.385 218 H GLU 45 HN GLU 45 -1.269 -32.836 14.749 219 HA GLU 45 HA GLU 45 0.381 -31.424 16.661 220 1HB GLU 45 HB2 GLU 45 2.126 -32.303 15.018 221 2HB GLU 45 HB1 GLU 45 1.026 -33.406 15.843 222 1HG GLU 45 HG2 GLU 45 1.488 -33.883 13.319 223 2HG GLU 45 HG1 GLU 45 -0.098 -34.148 13.982 224 H ALA 46 HN ALA 46 -1.578 -29.771 15.012 225 HA ALA 46 HA ALA 46 0.131 -28.060 13.404 226 1HB ALA 46 HB2 ALA 46 -2.707 -27.575 14.621 227 2HB ALA 46 HB1 ALA 46 -1.935 -26.563 13.417 228 3HB ALA 46 HB3 ALA 46 -2.345 -28.213 13.058 229 H GLN 47 HN GLN 47 1.609 -26.537 14.087 230 HA GLN 47 HA GLN 47 1.766 -25.775 16.958 231 1HB GLN 47 HB2 GLN 47 3.659 -24.911 14.711 232 2HB GLN 47 HB1 GLN 47 4.024 -25.147 16.412 233 1HG GLN 47 HG2 GLN 47 3.344 -27.486 14.533 234 2HG GLN 47 HG1 GLN 47 4.975 -26.982 14.914 235 1HE2 GLN 47 HE22 GLN 47 3.348 -29.484 17.394 236 2HE2 GLN 47 HE21 GLN 47 2.853 -29.300 15.763 237 H ILE 48 HN ILE 48 -0.345 -24.723 16.490 238 HA ILE 48 HA ILE 48 -0.536 -22.594 14.563 239 HB ILE 48 HB ILE 48 -2.194 -23.341 16.783 240 1HG1 ILE 48 HG12 ILE 48 -2.719 -23.831 13.857 241 2HG1 ILE 48 HG11 ILE 48 -1.574 -24.862 14.675 242 1HG2 ILE 48 HG22 ILE 48 -2.723 -20.914 16.051 243 2HG2 ILE 48 HG21 ILE 48 -2.805 -21.488 14.402 244 3HG2 ILE 48 HG23 ILE 48 -4.003 -22.018 15.563 245 1HD1 ILE 48 HD2 ILE 48 -3.319 -25.489 16.294 246 2HD1 ILE 48 HD1 ILE 48 -4.451 -24.455 15.400 247 3HD1 ILE 48 HD3 ILE 48 -3.642 -25.795 14.590 248 H ILE 49 HN ILE 49 -0.270 -20.587 14.568 249 HA ILE 49 HA ILE 49 0.574 -19.096 17.016 250 HB ILE 49 HB ILE 49 0.810 -18.475 14.213 251 1HG1 ILE 49 HG12 ILE 49 2.178 -20.373 14.610 252 2HG1 ILE 49 HG11 ILE 49 3.212 -18.983 14.356 253 1HG2 ILE 49 HG23 ILE 49 2.055 -16.976 16.544 254 2HG2 ILE 49 HG22 ILE 49 2.558 -16.765 14.889 255 3HG2 ILE 49 HG21 ILE 49 0.940 -16.324 15.338 256 1HD1 ILE 49 HD2 ILE 49 2.464 -20.191 17.043 257 2HD1 ILE 49 HD1 ILE 49 3.999 -20.378 16.220 258 3HD1 ILE 49 HD3 ILE 49 3.522 -18.797 16.825 259 H VAL 50 HN VAL 50 -0.029 -16.834 16.968 260 HA VAL 50 HA VAL 50 -2.873 -16.217 16.407 261 HB VAL 50 HB VAL 50 -2.191 -16.279 18.663 262 1HG1 VAL 50 HG12 VAL 50 -0.003 -14.293 18.028 263 2HG1 VAL 50 HG11 VAL 50 -0.481 -14.769 19.644 264 3HG1 VAL 50 HG13 VAL 50 0.220 -15.949 18.575 265 1HG2 VAL 50 HG22 VAL 50 -3.764 -14.375 17.999 266 2HG2 VAL 50 HG21 VAL 50 -2.771 -13.929 19.362 267 3HG2 VAL 50 HG23 VAL 50 -2.370 -13.336 17.769 268 H LEU 51 HN LEU 51 -3.222 -14.943 14.555 269 HA LEU 51 HA LEU 51 -1.326 -12.686 14.100 270 1HB LEU 51 HB2 LEU 51 -2.228 -14.692 11.966 271 2HB LEU 51 HB1 LEU 51 -1.745 -13.049 11.686 272 HG LEU 51 HG LEU 51 0.291 -14.619 13.204 273 1HD1 LEU 51 HD12 LEU 51 -0.040 -14.717 10.088 274 2HD1 LEU 51 HD11 LEU 51 1.343 -15.215 11.040 275 3HD1 LEU 51 HD13 LEU 51 -0.114 -16.115 11.186 276 1HD2 LEU 51 HD23 LEU 51 0.449 -12.128 12.604 277 2HD2 LEU 51 HD22 LEU 51 1.737 -13.103 11.922 278 3HD2 LEU 51 HD21 LEU 51 0.396 -12.605 10.905 279 HA PRO 52 HA PRO 52 -5.493 -10.731 13.902 280 1HB PRO 52 HB2 PRO 52 -3.862 -8.214 13.671 281 2HB PRO 52 HB1 PRO 52 -5.137 -8.614 14.835 282 1HG PRO 52 HG2 PRO 52 -2.579 -8.632 15.695 283 2HG PRO 52 HG1 PRO 52 -3.618 -9.983 16.155 284 1HD PRO 52 HD1 PRO 52 -1.702 -9.910 13.745 285 2HD PRO 52 HD2 PRO 52 -1.727 -11.051 15.115 286 H VAL 53 HN VAL 53 -6.705 -10.163 12.059 287 HA VAL 53 HA VAL 53 -6.020 -10.697 9.472 288 HB VAL 53 HB VAL 53 -8.044 -9.017 10.615 289 1HG1 VAL 53 HG12 VAL 53 -7.670 -9.665 7.620 290 2HG1 VAL 53 HG11 VAL 53 -9.082 -8.865 8.283 291 3HG1 VAL 53 HG13 VAL 53 -7.547 -8.028 8.236 292 1HG2 VAL 53 HG23 VAL 53 -7.964 -11.517 10.708 293 2HG2 VAL 53 HG22 VAL 53 -9.341 -11.003 9.725 294 3HG2 VAL 53 HG21 VAL 53 -7.841 -11.586 8.988 295 H GLY 54 HN GLY 54 -5.139 -10.160 7.994 296 1HA GLY 54 HA2 GLY 54 -4.183 -8.421 6.336 297 2HA GLY 54 HA1 GLY 54 -3.598 -7.519 7.789 298 H THR 55 HN THR 55 -2.974 -10.329 5.699 299 HA THR 55 HA THR 55 -1.804 -11.923 7.633 300 HB THR 55 HB THR 55 -0.576 -12.783 5.514 301 HG1 THR 55 HG1 THR 55 -1.756 -11.957 3.735 302 1HG2 THR 55 HG23 THR 55 -3.562 -13.104 5.850 303 2HG2 THR 55 HG22 THR 55 -2.533 -14.087 4.818 304 3HG2 THR 55 HG21 THR 55 -2.323 -14.138 6.539 305 H ILE 56 HN ILE 56 0.010 -11.505 8.687 306 HA ILE 56 HA ILE 56 2.220 -10.091 7.380 307 HB ILE 56 HB ILE 56 1.428 -11.091 10.073 308 1HG1 ILE 56 HG12 ILE 56 1.026 -8.825 9.655 309 2HG1 ILE 56 HG11 ILE 56 2.197 -8.960 10.953 310 1HG2 ILE 56 HG22 ILE 56 3.367 -12.312 9.877 311 2HG2 ILE 56 HG21 ILE 56 4.350 -10.896 9.513 312 3HG2 ILE 56 HG23 ILE 56 3.620 -11.065 11.118 313 1HD1 ILE 56 HD1 ILE 56 4.040 -8.418 9.314 314 2HD1 ILE 56 HD3 ILE 56 2.842 -8.235 8.042 315 3HD1 ILE 56 HD2 ILE 56 2.835 -7.147 9.406 316 H VAL 57 HN VAL 57 1.137 -12.750 7.250 317 HA VAL 57 HA VAL 57 3.432 -14.501 6.462 318 HB VAL 57 HB VAL 57 1.952 -16.465 6.754 319 1HG1 VAL 57 HG12 VAL 57 1.778 -14.557 9.057 320 2HG1 VAL 57 HG11 VAL 57 1.507 -16.299 9.153 321 3HG1 VAL 57 HG13 VAL 57 3.083 -15.663 8.721 322 1HG2 VAL 57 HG21 VAL 57 -0.280 -14.405 7.283 323 2HG2 VAL 57 HG23 VAL 57 -0.107 -15.436 5.871 324 3HG2 VAL 57 HG22 VAL 57 -0.581 -16.119 7.416 325 H THR 58 HN THR 58 2.418 -16.342 4.869 326 HA THR 58 HA THR 58 2.085 -15.094 2.389 327 HB THR 58 HB THR 58 2.574 -17.637 2.081 328 HG1 THR 58 HG1 THR 58 3.666 -18.459 3.782 329 1HG2 THR 58 HG23 THR 58 4.549 -15.847 3.528 330 2HG2 THR 58 HG22 THR 58 4.984 -17.234 2.542 331 3HG2 THR 58 HG21 THR 58 4.279 -15.812 1.786 332 H MET 59 HN MET 59 1.101 -16.683 0.857 333 HA MET 59 HA MET 59 -1.770 -16.828 1.331 334 1HB MET 59 HB2 MET 59 -0.855 -15.632 -0.707 335 2HB MET 59 HB1 MET 59 -0.130 -17.130 -1.244 336 1HG MET 59 HG2 MET 59 -2.077 -16.905 -2.531 337 2HG MET 59 HG1 MET 59 -2.559 -18.056 -1.332 338 1HE MET 59 HE3 MET 59 -3.752 -17.383 0.863 339 2HE MET 59 HE2 MET 59 -5.187 -16.400 0.720 340 3HE MET 59 HE1 MET 59 -5.032 -17.835 -0.293 341 H GLU 60 HN GLU 60 0.579 -18.572 0.542 342 HA GLU 60 HA GLU 60 0.009 -21.114 -0.405 343 1HB GLU 60 HB2 GLU 60 2.287 -21.491 -0.043 344 2HB GLU 60 HB1 GLU 60 2.185 -19.779 -0.178 345 1HG GLU 60 HG2 GLU 60 2.136 -19.505 2.319 346 2HG GLU 60 HG1 GLU 60 2.121 -21.219 2.514 347 OH TYR 61 OH TYR 61 -1.767 -29.365 5.100 348 H TYR 61 HN TYR 61 1.409 -22.867 1.144 349 HA TYR 61 HA TYR 61 -0.530 -23.649 3.229 350 1HB TYR 61 HB2 TYR 61 -0.552 -25.002 1.196 351 2HB TYR 61 HB1 TYR 61 1.150 -25.401 1.421 352 HD1 TYR 61 HD1 TYR 61 -2.005 -25.320 3.207 353 HD2 TYR 61 HD2 TYR 61 1.585 -27.398 2.645 354 HE1 TYR 61 HE1 TYR 61 -2.931 -27.203 4.554 355 HE2 TYR 61 HE2 TYR 61 0.689 -29.332 4.018 356 HH TYR 61 HH TYR 61 -2.032 -30.007 4.435 357 NH1 ARG 62 NH1 ARG 62 0.785 -18.116 5.052 358 NH2 ARG 62 NH2 ARG 62 -1.339 -18.770 4.880 359 H ARG 62 HN ARG 62 0.993 -22.331 4.625 360 HA ARG 62 HA ARG 62 3.430 -23.795 5.197 361 1HB ARG 62 HB2 ARG 62 3.187 -21.678 7.215 362 2HB ARG 62 HB1 ARG 62 4.310 -21.764 5.883 363 1HG ARG 62 HG2 ARG 62 3.076 -19.785 5.627 364 2HG ARG 62 HG1 ARG 62 2.563 -20.941 4.407 365 1HD ARG 62 HD2 ARG 62 1.024 -21.784 6.318 366 2HD ARG 62 HD1 ARG 62 1.167 -20.125 6.949 367 HE ARG 62 HE ARG 62 -0.208 -20.818 4.352 368 1HH1 ARG 62 HH11 ARG 62 1.722 -18.464 5.135 369 2HH1 ARG 62 HH12 ARG 62 0.559 -17.148 5.013 370 1HH2 ARG 62 HH22 ARG 62 -1.883 -19.606 4.857 371 2HH2 ARG 62 HH21 ARG 62 -1.715 -17.849 4.817 372 H ILE 63 HN ILE 63 2.108 -25.438 5.498 373 HA ILE 63 HA ILE 63 0.368 -26.094 7.437 374 HB ILE 63 HB ILE 63 0.900 -27.259 5.488 375 1HG1 ILE 63 HG12 ILE 63 0.268 -28.720 7.805 376 2HG1 ILE 63 HG11 ILE 63 0.214 -29.362 6.200 377 1HG2 ILE 63 HG22 ILE 63 3.301 -26.889 5.345 378 2HG2 ILE 63 HG21 ILE 63 3.583 -27.942 6.712 379 3HG2 ILE 63 HG23 ILE 63 3.054 -28.609 5.172 380 1HD1 ILE 63 HD2 ILE 63 2.649 -29.522 7.957 381 2HD1 ILE 63 HD1 ILE 63 1.479 -30.818 7.720 382 3HD1 ILE 63 HD3 ILE 63 2.396 -30.232 6.337 383 H ASP 64 HN ASP 64 3.610 -26.205 8.304 384 HA ASP 64 HA ASP 64 3.373 -27.857 10.606 385 1HB ASP 64 HB2 ASP 64 5.373 -26.369 11.391 386 2HB ASP 64 HB1 ASP 64 5.563 -27.038 9.786 387 NH1 ARG 65 NH1 ARG 65 3.858 -22.410 9.421 388 NH2 ARG 65 NH2 ARG 65 5.151 -21.438 10.886 389 H ARG 65 HN ARG 65 1.916 -24.984 9.823 390 HA ARG 65 HA ARG 65 0.882 -24.478 12.552 391 1HB ARG 65 HB2 ARG 65 2.865 -23.202 12.051 392 2HB ARG 65 HB1 ARG 65 2.036 -22.860 10.525 393 1HG ARG 65 HG2 ARG 65 0.526 -21.265 11.503 394 2HG ARG 65 HG1 ARG 65 1.122 -21.644 13.128 395 1HD ARG 65 HD2 ARG 65 2.191 -19.505 12.064 396 2HD ARG 65 HD1 ARG 65 3.317 -20.724 12.645 397 HE ARG 65 HE ARG 65 2.862 -20.070 9.752 398 1HH1 ARG 65 HH11 ARG 65 2.992 -22.501 8.936 399 2HH1 ARG 65 HH12 ARG 65 4.600 -23.063 9.244 400 1HH2 ARG 65 HH21 ARG 65 5.329 -20.683 11.499 401 2HH2 ARG 65 HH22 ARG 65 5.800 -22.185 10.722 402 H VAL 66 HN VAL 66 -1.528 -24.878 12.287 403 HA VAL 66 HA VAL 66 -2.769 -23.972 9.871 404 HB VAL 66 HB VAL 66 -4.119 -24.049 12.603 405 1HG1 VAL 66 HG11 VAL 66 -5.452 -23.005 10.621 406 2HG1 VAL 66 HG13 VAL 66 -5.144 -24.580 9.813 407 3HG1 VAL 66 HG12 VAL 66 -6.118 -24.527 11.315 408 1HG2 VAL 66 HG21 VAL 66 -3.429 -26.468 11.924 409 2HG2 VAL 66 HG23 VAL 66 -5.143 -25.971 11.981 410 3HG2 VAL 66 HG22 VAL 66 -4.435 -26.201 10.471 411 NH1 ARG 67 NH1 ARG 67 -2.047 -17.060 13.413 412 NH2 ARG 67 NH2 ARG 67 -1.608 -19.216 13.171 413 H ARG 67 HN ARG 67 -3.384 -21.884 9.304 414 HA ARG 67 HA ARG 67 -2.419 -19.800 11.172 415 1HB ARG 67 HB2 ARG 67 -1.437 -19.421 9.096 416 2HB ARG 67 HB1 ARG 67 -2.958 -19.718 8.241 417 1HG ARG 67 HG2 ARG 67 -2.405 -17.346 8.333 418 2HG ARG 67 HG1 ARG 67 -3.865 -17.704 9.225 419 1HD ARG 67 HD2 ARG 67 -1.651 -16.256 10.099 420 2HD ARG 67 HD1 ARG 67 -3.088 -16.587 11.024 421 HE ARG 67 HE ARG 67 -0.667 -18.422 11.081 422 1HH1 ARG 67 HH11 ARG 67 -2.102 -16.146 13.033 423 2HH1 ARG 67 HH12 ARG 67 -2.264 -17.224 14.366 424 1HH2 ARG 67 HH21 ARG 67 -1.320 -19.984 12.610 425 2HH2 ARG 67 HH22 ARG 67 -1.845 -19.359 14.125 426 H LEU 68 HN LEU 68 -3.558 -18.434 12.181 427 HA LEU 68 HA LEU 68 -6.472 -18.330 11.795 428 1HB LEU 68 HB2 LEU 68 -4.717 -18.107 14.257 429 2HB LEU 68 HB1 LEU 68 -6.398 -17.624 14.289 430 HG LEU 68 HG LEU 68 -5.481 -20.441 13.516 431 1HD1 LEU 68 HD12 LEU 68 -4.864 -19.731 15.866 432 2HD1 LEU 68 HD11 LEU 68 -6.552 -19.322 16.146 433 3HD1 LEU 68 HD13 LEU 68 -6.093 -20.987 15.841 434 1HD2 LEU 68 HD22 LEU 68 -8.182 -19.235 14.326 435 2HD2 LEU 68 HD21 LEU 68 -7.752 -19.784 12.723 436 3HD2 LEU 68 HD23 LEU 68 -7.898 -20.940 14.017 437 H PHE 69 HN PHE 69 -5.938 -16.588 10.144 438 HA PHE 69 HA PHE 69 -5.332 -14.060 11.357 439 1HB PHE 69 HB2 PHE 69 -6.210 -15.039 8.546 440 2HB PHE 69 HB1 PHE 69 -6.516 -13.278 8.892 441 HD1 PHE 69 HD1 PHE 69 -5.106 -12.120 10.101 442 HD2 PHE 69 HD2 PHE 69 -3.772 -15.693 8.227 443 HE1 PHE 69 HE1 PHE 69 -2.820 -11.408 10.342 444 HE2 PHE 69 HE2 PHE 69 -1.653 -15.055 8.506 445 HZ PHE 69 HZ PHE 69 -0.976 -12.905 9.502 446 H VAL 70 HN VAL 70 -6.218 -13.572 12.845 447 HA VAL 70 HA VAL 70 -9.180 -13.960 13.438 448 HB VAL 70 HB VAL 70 -8.702 -13.561 15.766 449 1HG1 VAL 70 HG11 VAL 70 -6.525 -15.394 14.720 450 2HG1 VAL 70 HG13 VAL 70 -7.122 -15.237 16.381 451 3HG1 VAL 70 HG12 VAL 70 -8.186 -15.860 15.139 452 1HG2 VAL 70 HG22 VAL 70 -5.821 -12.967 15.023 453 2HG2 VAL 70 HG21 VAL 70 -6.965 -11.801 15.695 454 3HG2 VAL 70 HG23 VAL 70 -6.443 -13.187 16.650 455 H ASP 71 HN ASP 71 -10.191 -11.765 14.622 456 HA ASP 71 HA ASP 71 -9.204 -9.588 12.881 457 1HB ASP 71 HB2 ASP 71 -11.366 -8.644 13.128 458 2HB ASP 71 HB1 ASP 71 -11.654 -10.296 13.262 459 H LYS 72 HN LYS 72 -10.476 -7.883 14.642 460 HA LYS 72 HA LYS 72 -8.136 -7.111 16.265 461 1HB LYS 72 HB2 LYS 72 -10.528 -5.635 15.185 462 2HB LYS 72 HB1 LYS 72 -9.599 -4.921 16.488 463 1HG LYS 72 HG2 LYS 72 -8.917 -4.183 14.106 464 2HG LYS 72 HG1 LYS 72 -7.641 -4.673 15.200 465 1HD LYS 72 HD2 LYS 72 -7.313 -6.755 14.110 466 2HD LYS 72 HD1 LYS 72 -8.835 -6.676 13.233 467 1HE LYS 72 HE2 LYS 72 -7.915 -4.799 11.881 468 2HE LYS 72 HE1 LYS 72 -6.408 -4.870 12.791 469 1HZ LYS 72 HZ1 LYS 72 -7.040 -7.485 11.983 470 2HZ LYS 72 HZ3 LYS 72 -7.164 -6.545 10.588 471 3HZ LYS 72 HZ2 LYS 72 -5.736 -6.604 11.379 472 H LEU 73 HN LEU 73 -10.499 -8.777 16.861 473 HA LEU 73 HA LEU 73 -10.352 -8.344 19.819 474 1HB LEU 73 HB2 LEU 73 -12.657 -7.859 19.905 475 2HB LEU 73 HB1 LEU 73 -12.252 -7.453 18.239 476 HG LEU 73 HG LEU 73 -12.940 -9.803 17.606 477 1HD1 LEU 73 HD12 LEU 73 -14.627 -9.300 20.119 478 2HD1 LEU 73 HD11 LEU 73 -14.922 -10.569 18.958 479 3HD1 LEU 73 HD13 LEU 73 -13.508 -10.624 19.975 480 1HD2 LEU 73 HD23 LEU 73 -14.068 -7.679 16.876 481 2HD2 LEU 73 HD22 LEU 73 -15.253 -8.927 17.205 482 3HD2 LEU 73 HD21 LEU 73 -14.986 -7.639 18.371 483 H ASP 74 HN ASP 74 -9.015 -10.096 18.125 484 HA ASP 74 HA ASP 74 -8.584 -12.355 17.548 485 1HB ASP 74 HB2 ASP 74 -7.261 -12.596 19.478 486 2HB ASP 74 HB1 ASP 74 -8.326 -11.600 20.427 487 H ASN 75 HN ASN 75 -11.136 -11.871 16.895 488 HA ASN 75 HA ASN 75 -12.305 -14.500 17.608 489 1HB ASN 75 HB2 ASN 75 -13.521 -11.776 17.033 490 2HB ASN 75 HB1 ASN 75 -14.340 -13.193 16.368 491 1HD2 ASN 75 HD21 ASN 75 -14.304 -14.429 19.849 492 2HD2 ASN 75 HD22 ASN 75 -12.822 -13.738 19.287 493 H ILE 76 HN ILE 76 -12.724 -15.793 15.868 494 HA ILE 76 HA ILE 76 -10.926 -15.486 13.729 495 HB ILE 76 HB ILE 76 -12.975 -17.494 14.490 496 1HG1 ILE 76 HG12 ILE 76 -9.950 -16.920 14.408 497 2HG1 ILE 76 HG11 ILE 76 -10.979 -16.842 15.840 498 1HG2 ILE 76 HG21 ILE 76 -10.997 -17.521 12.063 499 2HG2 ILE 76 HG23 ILE 76 -11.907 -18.943 12.593 500 3HG2 ILE 76 HG22 ILE 76 -12.732 -17.598 11.896 501 1HD1 ILE 76 HD1 ILE 76 -10.409 -19.239 14.364 502 2HD1 ILE 76 HD3 ILE 76 -9.685 -18.681 15.890 503 3HD1 ILE 76 HD2 ILE 76 -11.427 -19.016 15.826 504 H ALA 77 HN ALA 77 -10.992 -14.567 12.219 505 HA ALA 77 HA ALA 77 -13.262 -13.339 10.910 506 1HB ALA 77 HB3 ALA 77 -11.646 -12.239 12.416 507 2HB ALA 77 HB2 ALA 77 -10.312 -12.864 11.516 508 3HB ALA 77 HB1 ALA 77 -11.309 -11.568 10.807 509 H GLN 78 HN GLN 78 -10.462 -15.243 10.414 510 HA GLN 78 HA GLN 78 -11.282 -15.889 7.579 511 1HB GLN 78 HB2 GLN 78 -8.542 -15.945 8.894 512 2HB GLN 78 HB1 GLN 78 -8.809 -16.478 7.240 513 1HG GLN 78 HG2 GLN 78 -9.401 -13.638 8.302 514 2HG GLN 78 HG1 GLN 78 -7.991 -14.074 7.350 515 1HE2 GLN 78 HE22 GLN 78 -11.418 -13.414 5.432 516 2HE2 GLN 78 HE21 GLN 78 -11.450 -13.422 7.142 517 H VAL 79 HN VAL 79 -11.929 -17.964 7.183 518 HA VAL 79 HA VAL 79 -12.043 -19.886 9.298 519 HB VAL 79 HB VAL 79 -13.274 -19.941 6.596 520 1HG1 VAL 79 HG12 VAL 79 -13.246 -21.899 8.953 521 2HG1 VAL 79 HG11 VAL 79 -14.205 -22.174 7.496 522 3HG1 VAL 79 HG13 VAL 79 -12.472 -22.491 7.506 523 1HG2 VAL 79 HG21 VAL 79 -14.246 -18.714 8.219 524 2HG2 VAL 79 HG23 VAL 79 -15.107 -20.156 7.626 525 3HG2 VAL 79 HG22 VAL 79 -14.267 -20.223 9.175 526 HA PRO 80 HA PRO 80 -10.236 -23.310 6.752 527 1HB PRO 80 HB2 PRO 80 -9.987 -23.179 4.066 528 2HB PRO 80 HB1 PRO 80 -11.559 -22.974 4.844 529 1HG PRO 80 HG2 PRO 80 -9.453 -20.867 4.669 530 2HG PRO 80 HG1 PRO 80 -10.847 -20.840 3.540 531 1HD PRO 80 HD1 PRO 80 -11.309 -19.571 5.959 532 2HD PRO 80 HD2 PRO 80 -12.275 -21.004 5.573 533 NH1 ARG 81 NH2 ARG 81 -3.492 -21.070 2.711 534 NH2 ARG 81 NH1 ARG 81 -4.892 -20.190 1.293 535 H ARG 81 HN ARG 81 -7.623 -22.585 8.050 536 HA ARG 81 HA ARG 81 -6.530 -24.350 6.414 537 1HB ARG 81 HB2 ARG 81 -4.448 -22.715 5.494 538 2HB ARG 81 HB1 ARG 81 -5.860 -23.100 4.578 539 1HG ARG 81 HG2 ARG 81 -6.550 -21.068 6.257 540 2HG ARG 81 HG1 ARG 81 -4.915 -20.622 5.805 541 1HD ARG 81 HD2 ARG 81 -7.398 -20.883 4.043 542 2HD ARG 81 HD1 ARG 81 -6.178 -19.617 3.991 543 HE ARG 81 HE ARG 81 -5.832 -22.362 2.782 544 1HH1 ARG 81 HH22 ARG 81 -3.333 -21.609 3.549 545 2HH1 ARG 81 HH21 ARG 81 -2.694 -20.708 2.225 546 1HH2 ARG 81 HH12 ARG 81 -5.819 -20.043 0.976 547 2HH2 ARG 81 HH11 ARG 81 -4.073 -19.819 0.858 548 H VAL 82 HN VAL 82 -5.230 -25.603 6.885 549 HA VAL 82 HA VAL 82 -3.462 -25.611 9.064 550 HB VAL 82 HB VAL 82 -3.660 -27.008 6.457 551 1HG1 VAL 82 HG13 VAL 82 -1.623 -27.277 8.611 552 2HG1 VAL 82 HG12 VAL 82 -1.830 -28.514 7.324 553 3HG1 VAL 82 HG11 VAL 82 -1.326 -26.868 6.902 554 1HG2 VAL 82 HG21 VAL 82 -5.078 -27.335 8.550 555 2HG2 VAL 82 HG23 VAL 82 -4.273 -28.856 8.111 556 3HG2 VAL 82 HG22 VAL 82 -3.663 -27.798 9.402 557 H GLY 83 HN GLY 83 -3.206 -24.203 6.203 558 1HA GLY 83 HA1 GLY 83 -0.737 -22.852 6.599 559 2HA GLY 83 GLY 83 -0.717 -24.224 5.392 Start of MODEL 12 Raw file had 559 H/Q atoms Start of MODEL 12 1 H LEU 20 HN LEU 20 -8.473 -32.009 3.582 2 HA LEU 20 HA LEU 20 -10.527 -33.904 3.821 3 1HB LEU 20 HB2 LEU 20 -8.091 -34.535 5.566 4 2HB LEU 20 HB1 LEU 20 -9.666 -35.247 5.868 5 HG LEU 20 HG LEU 20 -8.118 -35.501 3.236 6 1HD1 LEU 20 HD13 LEU 20 -8.443 -37.483 5.545 7 2HD1 LEU 20 HD12 LEU 20 -7.646 -37.816 4.019 8 3HD1 LEU 20 HD11 LEU 20 -6.952 -36.651 5.129 9 1HD2 LEU 20 HD21 LEU 20 -10.539 -37.017 4.327 10 2HD2 LEU 20 HD23 LEU 20 -10.601 -35.843 3.026 11 3HD2 LEU 20 HD22 LEU 20 -9.733 -37.343 2.807 12 H LYS 21 HN LYS 21 -8.689 -32.885 6.680 13 HA LYS 21 HA LYS 21 -10.713 -30.804 7.209 14 1HB LYS 21 HB2 LYS 21 -11.274 -32.893 8.443 15 2HB LYS 21 HB1 LYS 21 -9.643 -32.987 9.066 16 1HG LYS 21 HG2 LYS 21 -11.394 -32.062 10.781 17 2HG LYS 21 HG1 LYS 21 -10.022 -31.004 10.513 18 1HD LYS 21 HD2 LYS 21 -11.237 -29.750 8.826 19 2HD LYS 21 HD1 LYS 21 -12.644 -30.781 8.947 20 1HE LYS 21 HE2 LYS 21 -13.129 -29.806 11.140 21 2HE LYS 21 HE1 LYS 21 -11.545 -29.006 11.148 22 1HZ LYS 21 HZ1 LYS 21 -12.652 -28.497 8.647 23 2HZ LYS 21 HZ3 LYS 21 -13.910 -28.137 9.790 24 3HZ LYS 21 HZ2 LYS 21 -12.384 -27.405 9.851 25 H THR 22 HN THR 22 -8.601 -29.885 6.074 26 HA THR 22 HA THR 22 -6.639 -28.993 8.184 27 HB THR 22 HB THR 22 -5.112 -28.498 6.160 28 HG1 THR 22 HG1 THR 22 -6.112 -28.658 4.350 29 1HG2 THR 22 HG21 THR 22 -5.040 -30.896 7.269 30 2HG2 THR 22 HG23 THR 22 -6.240 -31.329 6.058 31 3HG2 THR 22 HG22 THR 22 -4.635 -30.837 5.556 32 H GLU 23 HN GLU 23 -9.274 -28.039 7.402 33 HA GLU 23 HA GLU 23 -8.724 -25.110 7.314 34 1HB GLU 23 HB2 GLU 23 -10.399 -24.772 5.648 35 2HB GLU 23 HB1 GLU 23 -9.416 -26.106 5.101 36 1HG GLU 23 HG2 GLU 23 -12.195 -26.297 6.381 37 2HG GLU 23 HG1 GLU 23 -11.816 -26.665 4.717 38 CH2 TRP 24 CH2 TRP 24 -7.035 -28.155 10.717 39 H TRP 24 HN TRP 24 -10.171 -23.886 8.756 40 HA TRP 24 HA TRP 24 -12.186 -25.555 10.261 41 1HB TRP 24 HB2 TRP 24 -9.830 -23.964 11.303 42 2HB TRP 24 HB1 TRP 24 -11.125 -24.242 12.356 43 HD1 TRP 24 HD1 TRP 24 -11.768 -26.253 13.067 44 HE1 TRP 24 HE1 TRP 24 -10.354 -28.535 13.292 45 HE3 TRP 24 HE3 TRP 24 -8.297 -25.169 9.936 46 HZ2 TRP 24 HZ2 TRP 24 -7.848 -29.528 12.091 47 HZ3 TRP 24 HZ3 TRP 24 -6.438 -26.606 9.377 48 HH2 TRP 24 HH2 TRP 24 -6.198 -28.791 10.488 49 HA PRO 25 HA PRO 25 -14.377 -21.730 8.903 50 1HB PRO 25 HB2 PRO 25 -16.228 -23.982 8.195 51 2HB PRO 25 HB1 PRO 25 -15.756 -22.504 7.288 52 1HG PRO 25 HG2 PRO 25 -14.734 -24.808 6.457 53 2HG PRO 25 HG1 PRO 25 -13.668 -23.408 6.614 54 1HD PRO 25 HD1 PRO 25 -14.102 -25.623 8.712 55 2HD PRO 25 HD2 PRO 25 -12.601 -25.027 7.992 56 H GLU 26 HN GLU 26 -15.332 -24.512 10.740 57 HA GLU 26 HA GLU 26 -17.598 -23.549 12.032 58 1HB GLU 26 HB2 GLU 26 -15.332 -25.153 13.195 59 2HB GLU 26 HB1 GLU 26 -16.995 -25.228 13.760 60 1HG GLU 26 HG2 GLU 26 -16.896 -27.154 12.324 61 2HG GLU 26 HG1 GLU 26 -17.361 -25.962 11.128 62 H LEU 27 HN LEU 27 -14.299 -22.689 12.428 63 HA LEU 27 HA LEU 27 -14.555 -21.384 14.995 64 1HB LEU 27 HB2 LEU 27 -12.341 -21.489 12.930 65 2HB LEU 27 HB1 LEU 27 -12.153 -20.816 14.533 66 HG LEU 27 HG LEU 27 -12.653 -23.691 13.712 67 1HD1 LEU 27 HD13 LEU 27 -10.353 -22.693 13.356 68 2HD1 LEU 27 HD12 LEU 27 -10.396 -22.184 15.016 69 3HD1 LEU 27 HD11 LEU 27 -10.350 -23.891 14.628 70 1HD2 LEU 27 HD23 LEU 27 -12.370 -22.521 16.518 71 2HD2 LEU 27 HD22 LEU 27 -13.789 -23.326 15.886 72 3HD2 LEU 27 HD21 LEU 27 -12.317 -24.236 16.146 73 H VAL 28 HN VAL 28 -15.045 -20.204 11.681 74 HA VAL 28 HA VAL 28 -14.253 -17.513 12.067 75 HB VAL 28 HB VAL 28 -16.831 -18.480 10.663 76 1HG1 VAL 28 HG13 VAL 28 -15.177 -15.933 10.289 77 2HG1 VAL 28 HG12 VAL 28 -16.571 -16.375 9.315 78 3HG1 VAL 28 HG11 VAL 28 -16.768 -16.016 11.017 79 1HG2 VAL 28 HG22 VAL 28 -14.030 -18.087 9.405 80 2HG2 VAL 28 HG21 VAL 28 -14.874 -19.626 9.468 81 3HG2 VAL 28 HG23 VAL 28 -15.501 -18.356 8.488 82 H GLY 29 HN GLY 29 -15.052 -15.778 13.213 83 1HA GLY 29 HA1 GLY 29 -16.553 -14.610 14.686 84 2HA GLY 29 HA2 GLY 29 -17.652 -15.973 14.625 85 H LYS 30 HN LYS 30 -14.906 -17.468 15.350 86 HA LYS 30 HA LYS 30 -15.319 -17.253 18.288 87 1HB LYS 30 HB2 LYS 30 -13.755 -19.362 16.838 88 2HB LYS 30 HB1 LYS 30 -14.431 -19.506 18.456 89 1HG LYS 30 HG2 LYS 30 -15.852 -19.782 15.774 90 2HG LYS 30 HG1 LYS 30 -15.752 -20.946 17.063 91 1HD LYS 30 HD2 LYS 30 -17.302 -19.555 18.432 92 2HD LYS 30 HD1 LYS 30 -17.369 -18.352 17.152 93 1HE LYS 30 HE2 LYS 30 -18.154 -21.295 16.858 94 2HE LYS 30 HE1 LYS 30 -19.299 -19.985 17.062 95 1HZ LYS 30 HZ1 LYS 30 -17.641 -19.243 14.872 96 2HZ LYS 30 HZ3 LYS 30 -17.953 -20.863 14.699 97 3HZ LYS 30 HZ2 LYS 30 -19.242 -19.749 14.800 98 H SER 31 HN SER 31 -13.262 -17.635 19.609 99 HA SER 31 HA SER 31 -10.920 -16.088 18.528 100 1HB SER 31 HB2 SER 31 -10.345 -16.424 21.152 101 2HB SER 31 HB1 SER 31 -11.671 -15.335 20.797 102 HG SER 31 HG1 SER 31 -11.818 -17.675 22.062 103 H VAL 32 HN VAL 32 -9.107 -16.262 19.270 104 HA VAL 32 HA VAL 32 -8.222 -18.299 17.746 105 HB VAL 32 HB VAL 32 -7.477 -15.845 18.594 106 1HG1 VAL 32 HG11 VAL 32 -6.760 -16.554 20.897 107 2HG1 VAL 32 HG13 VAL 32 -5.469 -17.526 20.210 108 3HG1 VAL 32 HG12 VAL 32 -5.438 -15.789 20.062 109 1HG2 VAL 32 HG23 VAL 32 -6.301 -16.805 16.646 110 2HG2 VAL 32 HG22 VAL 32 -5.189 -15.919 17.668 111 3HG2 VAL 32 HG21 VAL 32 -5.196 -17.670 17.722 112 H GLU 33 HN GLU 33 -7.797 -18.124 21.319 113 HA GLU 33 HA GLU 33 -6.286 -20.600 21.374 114 1HB GLU 33 HB2 GLU 33 -7.728 -18.945 23.480 115 2HB GLU 33 HB1 GLU 33 -7.035 -20.487 23.932 116 1HG GLU 33 HG2 GLU 33 -5.409 -18.225 22.607 117 2HG GLU 33 HG1 GLU 33 -5.361 -18.584 24.319 118 H GLU 34 HN GLU 34 -9.640 -19.938 21.665 119 HA GLU 34 HA GLU 34 -10.626 -22.612 22.196 120 1HB GLU 34 HB2 GLU 34 -11.796 -20.253 20.688 121 2HB GLU 34 HB1 GLU 34 -12.700 -21.733 20.963 122 1HG GLU 34 HG2 GLU 34 -13.041 -19.826 22.726 123 2HG GLU 34 HG1 GLU 34 -12.698 -21.413 23.398 124 H ALA 35 HN ALA 35 -10.108 -20.831 19.131 125 HA ALA 35 HA ALA 35 -10.526 -22.926 17.357 126 1HB ALA 35 HB3 ALA 35 -8.481 -20.652 17.365 127 2HB ALA 35 HB2 ALA 35 -8.849 -21.560 15.929 128 3HB ALA 35 HB1 ALA 35 -10.088 -20.572 16.702 129 H LYS 36 HN LYS 36 -7.465 -21.994 18.752 130 HA LYS 36 HA LYS 36 -5.778 -23.848 17.718 131 1HB LYS 36 HB2 LYS 36 -5.460 -21.723 19.038 132 2HB LYS 36 HB1 LYS 36 -5.925 -22.550 20.499 133 1HG LYS 36 HG2 LYS 36 -3.825 -23.485 20.820 134 2HG LYS 36 HG1 LYS 36 -3.464 -23.555 19.094 135 1HD LYS 36 HD2 LYS 36 -3.220 -21.094 18.983 136 2HD LYS 36 HD1 LYS 36 -3.849 -20.894 20.587 137 1HE LYS 36 HE2 LYS 36 -1.232 -22.372 20.182 138 2HE LYS 36 HE1 LYS 36 -1.276 -20.615 20.152 139 1HZ LYS 36 HZ3 LYS 36 -2.846 -21.436 22.290 140 2HZ LYS 36 HZ2 LYS 36 -1.357 -22.252 22.464 141 3HZ LYS 36 HZ1 LYS 36 -1.472 -20.544 22.378 142 H LYS 37 HN LYS 37 -7.648 -24.001 20.578 143 HA LYS 37 HA LYS 37 -6.913 -26.504 21.374 144 1HB LYS 37 HB2 LYS 37 -9.565 -25.115 21.685 145 2HB LYS 37 HB1 LYS 37 -9.251 -26.656 22.469 146 1HG LYS 37 HG2 LYS 37 -7.418 -25.647 23.769 147 2HG LYS 37 HG1 LYS 37 -7.665 -24.120 22.979 148 1HD LYS 37 HD2 LYS 37 -10.172 -24.289 23.759 149 2HD LYS 37 HD1 LYS 37 -9.687 -25.681 24.688 150 1HE LYS 37 HE2 LYS 37 -9.829 -23.666 26.100 151 2HE LYS 37 HE1 LYS 37 -8.178 -24.276 26.037 152 1HZ LYS 37 HZ2 LYS 37 -8.511 -22.598 23.826 153 2HZ LYS 37 HZ1 LYS 37 -9.210 -21.760 25.080 154 3HZ LYS 37 HZ3 LYS 37 -7.579 -22.255 25.220 155 H VAL 38 HN VAL 38 -9.663 -25.609 19.507 156 HA VAL 38 HA VAL 38 -10.749 -28.192 18.905 157 HB VAL 38 HB VAL 38 -10.879 -25.580 17.324 158 1HG1 VAL 38 HG13 VAL 38 -12.622 -28.084 17.116 159 2HG1 VAL 38 HG12 VAL 38 -12.898 -26.595 16.238 160 3HG1 VAL 38 HG11 VAL 38 -11.493 -27.560 15.880 161 1HG2 VAL 38 HG21 VAL 38 -11.821 -25.424 19.621 162 2HG2 VAL 38 HG23 VAL 38 -13.063 -25.318 18.391 163 3HG2 VAL 38 HG22 VAL 38 -12.842 -26.814 19.296 164 H ILE 39 HN ILE 39 -8.749 -26.168 16.997 165 HA ILE 39 HA ILE 39 -8.468 -27.752 14.700 166 HB ILE 39 HB ILE 39 -6.599 -25.745 16.062 167 1HG1 ILE 39 HG12 ILE 39 -8.699 -25.663 13.835 168 2HG1 ILE 39 HG11 ILE 39 -8.795 -24.863 15.381 169 1HG2 ILE 39 HG21 ILE 39 -5.477 -27.327 14.359 170 2HG2 ILE 39 HG23 ILE 39 -6.699 -26.656 13.188 171 3HG2 ILE 39 HG22 ILE 39 -5.494 -25.643 13.970 172 1HD1 ILE 39 HD2 ILE 39 -6.659 -24.286 13.305 173 2HD1 ILE 39 HD1 ILE 39 -8.158 -23.318 13.556 174 3HD1 ILE 39 HD3 ILE 39 -6.924 -23.401 14.821 175 H LEU 40 HN LEU 40 -6.426 -27.523 17.586 176 HA LEU 40 HA LEU 40 -4.760 -29.695 16.806 177 1HB LEU 40 HB2 LEU 40 -5.414 -28.060 19.280 178 2HB LEU 40 HB1 LEU 40 -4.318 -29.403 19.422 179 HG LEU 40 HG LEU 40 -4.012 -27.492 17.049 180 1HD1 LEU 40 HD13 LEU 40 -2.747 -27.011 19.747 181 2HD1 LEU 40 HD12 LEU 40 -2.430 -26.150 18.238 182 3HD1 LEU 40 HD11 LEU 40 -3.996 -26.024 18.972 183 1HD2 LEU 40 HD23 LEU 40 -2.083 -29.214 18.678 184 2HD2 LEU 40 HD22 LEU 40 -2.767 -29.666 17.129 185 3HD2 LEU 40 HD21 LEU 40 -1.678 -28.313 17.239 186 H GLN 41 HN GLN 41 -7.947 -29.727 17.968 187 HA GLN 41 HA GLN 41 -7.722 -32.503 18.893 188 1HB GLN 41 HB2 GLN 41 -9.478 -31.288 19.971 189 2HB GLN 41 HB1 GLN 41 -10.024 -30.491 18.541 190 1HG GLN 41 HG2 GLN 41 -10.333 -33.505 18.850 191 2HG GLN 41 HG1 GLN 41 -11.528 -32.424 19.526 192 1HE2 GLN 41 HE22 GLN 41 -11.634 -31.687 15.629 193 2HE2 GLN 41 HE21 GLN 41 -10.507 -30.909 16.641 194 H ASP 42 HN ASP 42 -8.126 -30.860 15.981 195 HA ASP 42 HA ASP 42 -8.826 -33.276 14.377 196 1HB ASP 42 HB2 ASP 42 -8.689 -30.321 13.747 197 2HB ASP 42 HB1 ASP 42 -8.822 -31.537 12.467 198 H LYS 43 HN LYS 43 -6.245 -30.866 14.293 199 HA LYS 43 HA LYS 43 -4.505 -32.772 12.719 200 1HB LYS 43 HB2 LYS 43 -5.325 -30.781 11.470 201 2HB LYS 43 HB1 LYS 43 -4.451 -29.756 12.588 202 1HG LYS 43 HG2 LYS 43 -2.692 -29.979 11.071 203 2HG LYS 43 HG1 LYS 43 -2.430 -31.472 11.889 204 1HD LYS 43 HD2 LYS 43 -4.085 -32.579 10.181 205 2HD LYS 43 HD1 LYS 43 -4.030 -31.065 9.320 206 1HE LYS 43 HE2 LYS 43 -2.426 -32.491 8.221 207 2HE LYS 43 HE1 LYS 43 -1.515 -31.316 9.170 208 1HZ LYS 43 HZ3 LYS 43 -2.017 -33.408 10.954 209 2HZ LYS 43 HZ2 LYS 43 -1.527 -34.176 9.506 210 3HZ LYS 43 HZ1 LYS 43 -0.605 -33.017 10.295 211 HA PRO 44 HA PRO 44 -2.461 -32.766 16.991 212 1HB PRO 44 HB2 PRO 44 -0.901 -34.318 14.923 213 2HB PRO 44 HB1 PRO 44 -1.051 -34.649 16.649 214 1HG PRO 44 HG2 PRO 44 -2.746 -35.748 14.678 215 2HG PRO 44 HG1 PRO 44 -3.213 -35.585 16.368 216 1HD PRO 44 HD1 PRO 44 -4.428 -34.217 14.156 217 2HD PRO 44 HD2 PRO 44 -4.712 -33.867 15.869 218 H GLU 45 HN GLU 45 -0.695 -32.085 14.054 219 HA GLU 45 HA GLU 45 1.618 -30.949 15.280 220 1HB GLU 45 HB2 GLU 45 0.673 -30.764 12.426 221 2HB GLU 45 HB1 GLU 45 2.341 -30.689 12.956 222 1HG GLU 45 HG2 GLU 45 2.394 -32.972 12.489 223 2HG GLU 45 HG1 GLU 45 1.463 -33.206 13.949 224 H ALA 46 HN ALA 46 -1.285 -29.578 14.297 225 HA ALA 46 HA ALA 46 -0.830 -27.007 13.407 226 1HB ALA 46 HB2 ALA 46 -2.898 -28.040 15.390 227 2HB ALA 46 HB1 ALA 46 -3.071 -26.545 14.500 228 3HB ALA 46 HB3 ALA 46 -3.019 -28.093 13.652 229 H GLN 47 HN GLN 47 1.179 -26.258 14.382 230 HA GLN 47 HA GLN 47 1.214 -25.575 17.272 231 1HB GLN 47 HB2 GLN 47 3.160 -26.551 15.606 232 2HB GLN 47 HB1 GLN 47 3.421 -24.861 15.288 233 1HG GLN 47 HG2 GLN 47 4.931 -25.404 17.135 234 2HG GLN 47 HG1 GLN 47 3.614 -24.531 17.880 235 1HE2 GLN 47 HE21 GLN 47 2.752 -28.316 18.626 236 2HE2 GLN 47 HE22 GLN 47 2.429 -27.627 17.102 237 H ILE 48 HN ILE 48 -0.644 -24.371 16.803 238 HA ILE 48 HA ILE 48 -0.644 -22.058 15.134 239 HB ILE 48 HB ILE 48 -2.429 -22.807 17.258 240 1HG1 ILE 48 HG12 ILE 48 -3.018 -23.230 14.241 241 2HG1 ILE 48 HG11 ILE 48 -2.321 -24.524 15.194 242 1HG2 ILE 48 HG23 ILE 48 -2.726 -20.847 14.914 243 2HG2 ILE 48 HG22 ILE 48 -4.021 -21.303 15.987 244 3HG2 ILE 48 HG21 ILE 48 -2.700 -20.375 16.610 245 1HD1 ILE 48 HD2 ILE 48 -4.852 -23.083 15.829 246 2HD1 ILE 48 HD1 ILE 48 -4.586 -24.578 15.013 247 3HD1 ILE 48 HD3 ILE 48 -4.124 -24.471 16.708 248 H ILE 49 HN ILE 49 -0.591 -20.172 15.355 249 HA ILE 49 HA ILE 49 0.397 -18.647 17.698 250 HB ILE 49 HB ILE 49 0.861 -18.598 14.852 251 1HG1 ILE 49 HG12 ILE 49 3.198 -18.574 15.280 252 2HG1 ILE 49 HG11 ILE 49 2.994 -18.061 16.929 253 1HG2 ILE 49 HG21 ILE 49 1.404 -16.203 16.637 254 2HG2 ILE 49 HG23 ILE 49 2.052 -16.373 15.022 255 3HG2 ILE 49 HG22 ILE 49 0.325 -16.226 15.253 256 1HD1 ILE 49 HD3 ILE 49 2.148 -20.805 15.878 257 2HD1 ILE 49 HD2 ILE 49 3.617 -20.497 16.787 258 3HD1 ILE 49 HD1 ILE 49 2.065 -20.272 17.545 259 H VAL 50 HN VAL 50 -0.314 -16.523 17.862 260 HA VAL 50 HA VAL 50 -3.104 -15.959 17.081 261 HB VAL 50 HB VAL 50 -2.516 -15.972 19.441 262 1HG1 VAL 50 HG12 VAL 50 -0.080 -15.469 19.373 263 2HG1 VAL 50 HG11 VAL 50 -0.432 -13.834 18.845 264 3HG1 VAL 50 HG13 VAL 50 -0.900 -14.370 20.448 265 1HG2 VAL 50 HG21 VAL 50 -4.155 -14.217 18.670 266 2HG2 VAL 50 HG23 VAL 50 -3.234 -13.618 20.029 267 3HG2 VAL 50 HG22 VAL 50 -2.836 -13.083 18.409 268 H LEU 51 HN LEU 51 -3.427 -14.685 15.406 269 HA LEU 51 HA LEU 51 -1.348 -12.697 14.662 270 1HB LEU 51 HB2 LEU 51 -2.083 -15.139 13.291 271 2HB LEU 51 HB1 LEU 51 -2.290 -13.765 12.252 272 HG LEU 51 HG LEU 51 0.247 -14.115 13.865 273 1HD1 LEU 51 HD13 LEU 51 -0.319 -15.169 11.055 274 2HD1 LEU 51 HD12 LEU 51 1.248 -15.091 11.843 275 3HD1 LEU 51 HD11 LEU 51 -0.002 -16.164 12.454 276 1HD2 LEU 51 HD21 LEU 51 -0.481 -12.481 11.330 277 2HD2 LEU 51 HD23 LEU 51 -0.181 -11.853 12.911 278 3HD2 LEU 51 HD22 LEU 51 1.124 -12.575 12.010 279 HA PRO 52 HA PRO 52 -5.018 -10.227 14.020 280 1HB PRO 52 HB2 PRO 52 -2.978 -8.144 13.158 281 2HB PRO 52 HB1 PRO 52 -4.277 -7.962 14.336 282 1HG PRO 52 HG2 PRO 52 -1.763 -8.217 15.281 283 2HG PRO 52 HG1 PRO 52 -3.035 -9.175 16.054 284 1HD PRO 52 HD1 PRO 52 -1.126 -10.099 13.832 285 2HD PRO 52 HD2 PRO 52 -1.436 -10.850 15.421 286 H VAL 53 HN VAL 53 -6.150 -10.367 12.291 287 HA VAL 53 HA VAL 53 -5.312 -11.214 9.749 288 HB VAL 53 HB VAL 53 -7.589 -11.461 10.892 289 1HG1 VAL 53 HG11 VAL 53 -7.930 -9.066 11.418 290 2HG1 VAL 53 HG13 VAL 53 -8.024 -8.696 9.700 291 3HG1 VAL 53 HG12 VAL 53 -9.241 -9.727 10.460 292 1HG2 VAL 53 HG23 VAL 53 -6.870 -12.028 8.698 293 2HG2 VAL 53 HG22 VAL 53 -8.618 -11.637 8.712 294 3HG2 VAL 53 HG21 VAL 53 -7.437 -10.502 8.041 295 H GLY 54 HN GLY 54 -4.945 -10.615 8.058 296 1HA GLY 54 HA1 GLY 54 -4.802 -8.695 6.315 297 2HA GLY 54 HA2 GLY 54 -4.587 -7.578 7.651 298 H THR 55 HN THR 55 -2.605 -9.786 8.775 299 HA THR 55 HA THR 55 -0.139 -8.829 8.338 300 HB THR 55 HB THR 55 -1.302 -11.531 8.721 301 HG1 THR 55 HG1 THR 55 -1.703 -10.195 10.537 302 1HG2 THR 55 HG23 THR 55 1.199 -11.494 8.199 303 2HG2 THR 55 HG22 THR 55 1.286 -10.376 9.577 304 3HG2 THR 55 HG21 THR 55 0.599 -12.001 9.795 305 H ILE 56 HN ILE 56 1.336 -9.065 6.301 306 HA ILE 56 HA ILE 56 -0.204 -10.042 3.970 307 HB ILE 56 HB ILE 56 2.714 -9.194 3.990 308 1HG1 ILE 56 HG12 ILE 56 1.103 -7.434 4.775 309 2HG1 ILE 56 HG11 ILE 56 1.864 -7.002 3.254 310 1HG2 ILE 56 HG21 ILE 56 0.552 -9.690 1.883 311 2HG2 ILE 56 HG23 ILE 56 2.138 -8.999 1.483 312 3HG2 ILE 56 HG22 ILE 56 1.982 -10.640 2.106 313 1HD1 ILE 56 HD1 ILE 56 -0.977 -8.115 3.630 314 2HD1 ILE 56 HD3 ILE 56 -0.565 -6.465 3.223 315 3HD1 ILE 56 HD2 ILE 56 -0.265 -7.736 2.064 316 H VAL 57 HN VAL 57 -0.551 -11.891 4.632 317 HA VAL 57 HA VAL 57 1.488 -14.028 4.067 318 HB VAL 57 HB VAL 57 0.841 -15.432 5.771 319 1HG1 VAL 57 HG11 VAL 57 1.814 -13.570 6.882 320 2HG1 VAL 57 HG13 VAL 57 0.220 -12.840 7.028 321 3HG1 VAL 57 HG12 VAL 57 0.589 -14.321 7.891 322 1HG2 VAL 57 HG22 VAL 57 -1.910 -14.164 5.931 323 2HG2 VAL 57 HG21 VAL 57 -1.429 -15.711 5.205 324 3HG2 VAL 57 HG23 VAL 57 -1.399 -15.455 6.950 325 H THR 58 HN THR 58 0.726 -15.902 3.311 326 HA THR 58 HA THR 58 -1.379 -15.662 1.363 327 HB THR 58 HB THR 58 0.305 -17.912 1.267 328 HG1 THR 58 HG1 THR 58 1.930 -15.767 0.918 329 1HG2 THR 58 HG23 THR 58 0.334 -15.248 -0.302 330 2HG2 THR 58 HG22 THR 58 1.078 -16.721 -0.902 331 3HG2 THR 58 HG21 THR 58 -0.668 -16.600 -0.770 332 H MET 59 HN MET 59 -2.254 -17.782 0.694 333 HA MET 59 HA MET 59 -3.548 -19.207 2.932 334 1HB MET 59 HB2 MET 59 -4.809 -18.488 0.745 335 2HB MET 59 HB1 MET 59 -3.759 -19.584 -0.130 336 1HG MET 59 HG2 MET 59 -5.806 -20.755 0.303 337 2HG MET 59 HG1 MET 59 -4.564 -21.473 1.283 338 1HE MET 59 HE3 MET 59 -7.738 -21.241 0.997 339 2HE MET 59 HE2 MET 59 -8.355 -21.391 2.614 340 3HE MET 59 HE1 MET 59 -8.385 -19.809 1.804 341 H GLU 60 HN GLU 60 -1.274 -19.516 3.468 342 HA GLU 60 HA GLU 60 0.500 -21.039 1.825 343 1HB GLU 60 HB2 GLU 60 1.956 -20.567 3.785 344 2HB GLU 60 HB1 GLU 60 1.252 -19.150 3.080 345 1HG GLU 60 HG2 GLU 60 -0.412 -18.988 4.961 346 2HG GLU 60 HG1 GLU 60 0.188 -20.474 5.664 347 OH TYR 61 OH TYR 61 -2.466 -29.773 2.434 348 H TYR 61 HN TYR 61 1.749 -22.890 2.369 349 HA TYR 61 HA TYR 61 0.175 -24.971 3.781 350 1HB TYR 61 HB2 TYR 61 0.921 -24.825 1.122 351 2HB TYR 61 HB1 TYR 61 2.122 -25.927 1.837 352 HD1 TYR 61 HD1 TYR 61 1.069 -27.298 3.756 353 HD2 TYR 61 HD2 TYR 61 -0.923 -26.103 0.251 354 HE1 TYR 61 HE1 TYR 61 -0.489 -29.217 3.995 355 HE2 TYR 61 HE2 TYR 61 -2.501 -28.019 0.484 356 HH TYR 61 HH TYR 61 -3.004 -29.396 3.154 357 NH1 ARG 62 NH1 ARG 62 3.990 -18.782 5.137 358 NH2 ARG 62 NH2 ARG 62 3.961 -19.005 2.934 359 H ARG 62 HN ARG 62 1.660 -23.460 5.315 360 HA ARG 62 HA ARG 62 4.189 -24.982 5.923 361 1HB ARG 62 HB2 ARG 62 2.793 -22.599 7.309 362 2HB ARG 62 HB1 ARG 62 4.218 -23.378 7.953 363 1HG ARG 62 HG2 ARG 62 4.995 -21.409 6.789 364 2HG ARG 62 HG1 ARG 62 5.466 -22.822 5.862 365 1HD ARG 62 HD2 ARG 62 3.655 -22.488 4.270 366 2HD ARG 62 HD1 ARG 62 2.932 -21.274 5.330 367 HE ARG 62 HE ARG 62 5.601 -20.848 3.993 368 1HH1 ARG 62 HH11 ARG 62 4.208 -19.233 5.997 369 2HH1 ARG 62 HH12 ARG 62 3.604 -17.862 5.109 370 1HH2 ARG 62 HH21 ARG 62 4.191 -19.596 2.170 371 2HH2 ARG 62 HH22 ARG 62 3.549 -18.103 2.800 372 H ILE 63 HN ILE 63 2.758 -26.634 5.738 373 HA ILE 63 HA ILE 63 0.411 -27.302 7.002 374 HB ILE 63 HB ILE 63 1.616 -28.615 5.303 375 1HG1 ILE 63 HG12 ILE 63 1.247 -30.858 6.058 376 2HG1 ILE 63 HG11 ILE 63 1.231 -30.316 7.734 377 1HG2 ILE 63 HG22 ILE 63 3.891 -28.337 6.276 378 2HG2 ILE 63 HG21 ILE 63 3.443 -29.395 7.601 379 3HG2 ILE 63 HG23 ILE 63 3.540 -30.028 5.961 380 1HD1 ILE 63 HD3 ILE 63 -0.950 -29.566 5.718 381 2HD1 ILE 63 HD2 ILE 63 -1.060 -30.799 6.927 382 3HD1 ILE 63 HD1 ILE 63 -0.861 -29.135 7.386 383 H ASP 64 HN ASP 64 2.894 -26.533 9.061 384 HA ASP 64 HA ASP 64 1.772 -28.181 11.249 385 1HB ASP 64 HB2 ASP 64 3.889 -27.668 12.360 386 2HB ASP 64 HB1 ASP 64 4.372 -27.818 10.669 387 NH1 ARG 65 NH1 ARG 65 3.973 -23.237 12.548 388 NH2 ARG 65 NH2 ARG 65 3.799 -21.546 14.006 389 H ARG 65 HN ARG 65 0.932 -25.453 9.690 390 HA ARG 65 HA ARG 65 0.384 -23.860 12.089 391 1HB ARG 65 HB2 ARG 65 2.280 -23.255 10.561 392 2HB ARG 65 HB1 ARG 65 1.118 -23.127 9.309 393 1HG ARG 65 HG2 ARG 65 1.522 -20.836 9.965 394 2HG ARG 65 HG1 ARG 65 -0.038 -21.219 10.606 395 1HD ARG 65 HD2 ARG 65 1.438 -19.986 12.250 396 2HD ARG 65 HD1 ARG 65 1.034 -21.622 12.849 397 HE ARG 65 HE ARG 65 3.454 -21.257 11.115 398 1HH1 ARG 65 HH12 ARG 65 3.782 -23.569 11.622 399 2HH1 ARG 65 HH11 ARG 65 4.457 -23.884 13.136 400 1HH2 ARG 65 HH22 ARG 65 3.471 -20.617 14.126 401 2HH2 ARG 65 HH21 ARG 65 4.262 -22.059 14.729 402 H VAL 66 HN VAL 66 -1.928 -24.066 12.467 403 HA VAL 66 HA VAL 66 -3.583 -23.240 10.171 404 HB VAL 66 HB VAL 66 -4.611 -23.625 12.912 405 1HG1 VAL 66 HG11 VAL 66 -6.198 -23.113 10.804 406 2HG1 VAL 66 HG13 VAL 66 -5.443 -24.577 10.125 407 3HG1 VAL 66 HG12 VAL 66 -6.477 -24.731 11.507 408 1HG2 VAL 66 HG21 VAL 66 -3.977 -25.676 10.885 409 2HG2 VAL 66 HG23 VAL 66 -3.313 -25.677 12.531 410 3HG2 VAL 66 HG22 VAL 66 -5.058 -25.885 12.231 411 NH1 ARG 67 NH2 ARG 67 2.398 -16.718 10.310 412 NH2 ARG 67 NH1 ARG 67 2.489 -17.107 8.157 413 H ARG 67 HN ARG 67 -1.833 -21.323 10.596 414 HA ARG 67 HA ARG 67 -1.960 -19.506 12.712 415 1HB ARG 67 HB2 ARG 67 -1.143 -17.715 11.219 416 2HB ARG 67 HB1 ARG 67 -0.199 -19.179 11.193 417 1HG ARG 67 HG2 ARG 67 -1.641 -19.858 9.343 418 2HG ARG 67 HG1 ARG 67 -2.186 -18.197 9.254 419 1HD ARG 67 HD2 ARG 67 0.667 -19.277 8.779 420 2HD ARG 67 HD1 ARG 67 -0.317 -18.377 7.649 421 HE ARG 67 HE ARG 67 -0.039 -16.468 9.488 422 1HH1 ARG 67 HH21 ARG 67 1.827 -16.660 11.114 423 2HH1 ARG 67 HH22 ARG 67 3.380 -16.558 10.355 424 1HH2 ARG 67 HH12 ARG 67 1.960 -17.415 7.369 425 2HH2 ARG 67 HH11 ARG 67 3.455 -16.907 8.066 426 H LEU 68 HN LEU 68 -3.431 -18.532 13.600 427 HA LEU 68 HA LEU 68 -6.032 -18.191 12.422 428 1HB LEU 68 HB2 LEU 68 -4.948 -17.607 15.173 429 2HB LEU 68 HB1 LEU 68 -6.652 -17.673 14.760 430 HG LEU 68 HG LEU 68 -4.679 -19.993 14.517 431 1HD1 LEU 68 HD12 LEU 68 -6.923 -19.454 16.479 432 2HD1 LEU 68 HD11 LEU 68 -6.000 -20.933 16.441 433 3HD1 LEU 68 HD13 LEU 68 -5.214 -19.431 16.854 434 1HD2 LEU 68 HD21 LEU 68 -7.674 -19.957 14.171 435 2HD2 LEU 68 HD23 LEU 68 -6.467 -20.255 12.912 436 3HD2 LEU 68 HD22 LEU 68 -6.667 -21.395 14.207 437 H PHE 69 HN PHE 69 -5.818 -16.695 10.948 438 HA PHE 69 HA PHE 69 -5.271 -13.960 11.637 439 1HB PHE 69 HB2 PHE 69 -6.306 -15.435 9.020 440 2HB PHE 69 HB1 PHE 69 -6.289 -13.659 9.082 441 HD1 PHE 69 HD2 PHE 69 -4.672 -12.697 10.210 442 HD2 PHE 69 HD1 PHE 69 -4.020 -16.426 8.508 443 HE1 PHE 69 HE2 PHE 69 -2.384 -12.217 10.392 444 HE2 PHE 69 HE1 PHE 69 -1.704 -16.122 8.612 445 HZ PHE 69 HZ PHE 69 -0.719 -14.030 9.405 446 H VAL 70 HN VAL 70 -6.119 -13.274 13.102 447 HA VAL 70 HA VAL 70 -9.121 -13.516 13.519 448 HB VAL 70 HB VAL 70 -8.788 -13.100 15.868 449 1HG1 VAL 70 HG11 VAL 70 -8.431 -15.453 15.216 450 2HG1 VAL 70 HG13 VAL 70 -6.725 -15.123 14.992 451 3HG1 VAL 70 HG12 VAL 70 -7.439 -14.994 16.583 452 1HG2 VAL 70 HG23 VAL 70 -5.815 -12.803 15.280 453 2HG2 VAL 70 HG22 VAL 70 -6.871 -11.506 15.819 454 3HG2 VAL 70 HG21 VAL 70 -6.510 -12.861 16.877 455 H ASP 71 HN ASP 71 -9.971 -11.556 14.933 456 HA ASP 71 HA ASP 71 -9.214 -9.247 13.255 457 1HB ASP 71 HB2 ASP 71 -11.490 -8.569 13.532 458 2HB ASP 71 HB1 ASP 71 -11.574 -10.262 13.644 459 H LYS 72 HN LYS 72 -10.640 -7.801 15.072 460 HA LYS 72 HA LYS 72 -8.453 -6.713 16.669 461 1HB LYS 72 HB2 LYS 72 -11.309 -5.763 16.258 462 2HB LYS 72 HB1 LYS 72 -10.074 -4.766 17.021 463 1HG LYS 72 HG2 LYS 72 -8.829 -4.598 14.913 464 2HG LYS 72 HG1 LYS 72 -9.885 -5.766 14.133 465 1HD LYS 72 HD2 LYS 72 -11.844 -4.234 14.476 466 2HD LYS 72 HD1 LYS 72 -10.855 -3.122 15.382 467 1HE LYS 72 HE2 LYS 72 -11.165 -2.192 13.185 468 2HE LYS 72 HE1 LYS 72 -9.491 -2.736 13.310 469 1HZ LYS 72 HZ3 LYS 72 -10.984 -4.933 12.456 470 2HZ LYS 72 HZ2 LYS 72 -11.485 -3.614 11.479 471 3HZ LYS 72 HZ1 LYS 72 -9.855 -4.051 11.551 472 H LEU 73 HN LEU 73 -10.683 -8.671 17.177 473 HA LEU 73 HA LEU 73 -10.344 -8.647 20.156 474 1HB LEU 73 HB2 LEU 73 -12.669 -8.268 20.445 475 2HB LEU 73 HB1 LEU 73 -12.357 -7.612 18.846 476 HG LEU 73 HG LEU 73 -13.035 -9.882 17.909 477 1HD1 LEU 73 HD11 LEU 73 -13.480 -10.950 20.196 478 2HD1 LEU 73 HD13 LEU 73 -14.658 -9.698 20.501 479 3HD1 LEU 73 HD12 LEU 73 -14.929 -10.857 19.216 480 1HD2 LEU 73 HD22 LEU 73 -15.030 -7.843 19.013 481 2HD2 LEU 73 HD21 LEU 73 -14.168 -7.706 17.490 482 3HD2 LEU 73 HD23 LEU 73 -15.365 -8.966 17.706 483 H ASP 74 HN ASP 74 -8.857 -10.087 18.585 484 HA ASP 74 HA ASP 74 -8.194 -12.088 17.784 485 1HB ASP 74 HB2 ASP 74 -7.264 -12.795 19.813 486 2HB ASP 74 HB1 ASP 74 -8.419 -11.803 20.670 487 H ASN 75 HN ASN 75 -11.144 -11.838 17.365 488 HA ASN 75 HA ASN 75 -11.838 -14.690 17.235 489 1HB ASN 75 HB2 ASN 75 -13.442 -12.094 17.095 490 2HB ASN 75 HB1 ASN 75 -14.160 -13.680 16.705 491 1HD2 ASN 75 HD21 ASN 75 -12.935 -14.873 19.627 492 2HD2 ASN 75 HD22 ASN 75 -12.151 -13.325 19.703 493 H ILE 76 HN ILE 76 -12.308 -15.606 15.381 494 HA ILE 76 HA ILE 76 -10.666 -15.131 13.209 495 HB ILE 76 HB ILE 76 -12.725 -17.148 13.808 496 1HG1 ILE 76 HG12 ILE 76 -9.690 -16.562 13.867 497 2HG1 ILE 76 HG11 ILE 76 -10.770 -16.702 15.262 498 1HG2 ILE 76 HG21 ILE 76 -10.692 -16.901 11.441 499 2HG2 ILE 76 HG23 ILE 76 -11.650 -18.364 11.819 500 3HG2 ILE 76 HG22 ILE 76 -12.416 -16.924 11.222 501 1HD1 ILE 76 HD2 ILE 76 -11.189 -18.882 14.937 502 2HD1 ILE 76 HD1 ILE 76 -10.064 -18.913 13.545 503 3HD1 ILE 76 HD3 ILE 76 -9.459 -18.557 15.211 504 H ALA 77 HN ALA 77 -10.769 -14.079 11.805 505 HA ALA 77 HA ALA 77 -13.099 -12.663 10.805 506 1HB ALA 77 HB3 ALA 77 -11.274 -11.809 12.185 507 2HB ALA 77 HB2 ALA 77 -10.086 -12.397 11.069 508 3HB ALA 77 HB1 ALA 77 -11.122 -11.020 10.587 509 H GLN 78 HN GLN 78 -10.344 -14.421 9.898 510 HA GLN 78 HA GLN 78 -11.404 -14.966 7.128 511 1HB GLN 78 HB2 GLN 78 -9.308 -13.621 7.073 512 2HB GLN 78 HB1 GLN 78 -8.572 -14.675 8.262 513 1HG GLN 78 HG2 GLN 78 -8.818 -16.610 6.548 514 2HG GLN 78 HG1 GLN 78 -9.355 -15.425 5.376 515 1HE2 GLN 78 HE22 GLN 78 -6.097 -14.443 4.629 516 2HE2 GLN 78 HE21 GLN 78 -7.751 -14.230 4.315 517 H VAL 79 HN VAL 79 -12.133 -17.375 7.254 518 HA VAL 79 HA VAL 79 -11.222 -18.556 9.722 519 HB VAL 79 HB VAL 79 -13.245 -19.345 7.994 520 1HG1 VAL 79 HG13 VAL 79 -11.567 -20.948 7.041 521 2HG1 VAL 79 HG12 VAL 79 -11.292 -21.426 8.737 522 3HG1 VAL 79 HG11 VAL 79 -12.891 -21.692 7.925 523 1HG2 VAL 79 HG22 VAL 79 -12.979 -19.275 10.674 524 2HG2 VAL 79 HG21 VAL 79 -13.573 -20.820 10.258 525 3HG2 VAL 79 HG23 VAL 79 -11.905 -20.634 10.563 526 HA PRO 80 HA PRO 80 -7.271 -19.825 8.253 527 1HB PRO 80 HB2 PRO 80 -6.932 -21.208 10.852 528 2HB PRO 80 HB1 PRO 80 -6.187 -19.712 10.295 529 1HG PRO 80 HG2 PRO 80 -8.155 -19.511 12.195 530 2HG PRO 80 HG1 PRO 80 -8.160 -18.413 10.812 531 1HD PRO 80 HD1 PRO 80 -9.642 -21.109 10.802 532 2HD PRO 80 HD2 PRO 80 -10.300 -19.480 10.946 533 NH1 ARG 81 NH2 ARG 81 -4.570 -19.067 7.069 534 NH2 ARG 81 NH1 ARG 81 -3.779 -20.552 8.461 535 H ARG 81 HN ARG 81 -5.790 -21.729 8.160 536 HA ARG 81 HA ARG 81 -7.041 -24.327 7.830 537 1HB ARG 81 HB2 ARG 81 -5.390 -23.976 5.482 538 2HB ARG 81 HB1 ARG 81 -7.097 -24.274 5.560 539 1HG ARG 81 HG2 ARG 81 -7.031 -22.291 4.395 540 2HG ARG 81 HG1 ARG 81 -7.373 -21.772 6.017 541 1HD ARG 81 HD2 ARG 81 -4.757 -21.597 4.451 542 2HD ARG 81 HD1 ARG 81 -5.701 -20.251 5.044 543 HE ARG 81 HE ARG 81 -4.074 -22.103 6.787 544 1HH1 ARG 81 HH21 ARG 81 -4.962 -18.821 6.191 545 2HH1 ARG 81 HH22 ARG 81 -4.374 -18.390 7.765 546 1HH2 ARG 81 HH12 ARG 81 -3.560 -21.510 8.639 547 2HH2 ARG 81 HH11 ARG 81 -3.589 -19.837 9.138 548 H VAL 82 HN VAL 82 -5.347 -25.952 7.764 549 HA VAL 82 HA VAL 82 -2.936 -25.156 9.266 550 HB VAL 82 HB VAL 82 -3.587 -27.822 7.797 551 1HG1 VAL 82 HG13 VAL 82 -1.473 -26.833 9.648 552 2HG1 VAL 82 HG12 VAL 82 -1.629 -28.546 9.148 553 3HG1 VAL 82 HG11 VAL 82 -1.305 -27.296 7.916 554 1HG2 VAL 82 HG23 VAL 82 -4.833 -27.414 9.993 555 2HG2 VAL 82 HG22 VAL 82 -3.899 -28.886 9.856 556 3HG2 VAL 82 HG21 VAL 82 -3.296 -27.537 10.798 557 H GLY 83 HN GLY 83 -3.635 -26.613 6.375 558 1HA GLY 83 GLY 83 -2.225 -25.157 4.400 559 2HA GLY 83 HA1 GLY 83 -1.281 -26.583 4.952 Start of MODEL 13 Raw file had 559 H/Q atoms Start of MODEL 13 1 H LEU 20 HN LEU 20 -8.503 -35.182 12.057 2 HA LEU 20 HA LEU 20 -7.382 -34.273 10.316 3 1HB LEU 20 HB2 LEU 20 -8.632 -36.540 8.725 4 2HB LEU 20 HB1 LEU 20 -7.237 -35.613 8.220 5 HG LEU 20 HG LEU 20 -7.353 -37.383 10.716 6 1HD1 LEU 20 HD13 LEU 20 -7.294 -38.622 8.531 7 2HD1 LEU 20 HD12 LEU 20 -5.867 -37.705 8.070 8 3HD1 LEU 20 HD11 LEU 20 -5.798 -38.816 9.424 9 1HD2 LEU 20 HD21 LEU 20 -5.009 -35.892 9.421 10 2HD2 LEU 20 HD23 LEU 20 -5.767 -35.447 10.946 11 3HD2 LEU 20 HD22 LEU 20 -4.903 -36.961 10.807 12 H LYS 21 HN LYS 21 -9.039 -32.524 10.678 13 HA LYS 21 HA LYS 21 -10.678 -31.883 8.266 14 1HB LYS 21 HB2 LYS 21 -11.671 -32.043 10.687 15 2HB LYS 21 HB1 LYS 21 -10.564 -30.751 11.104 16 1HG LYS 21 HG2 LYS 21 -11.639 -29.116 9.923 17 2HG LYS 21 HG1 LYS 21 -12.472 -30.327 8.926 18 1HD LYS 21 HD2 LYS 21 -14.062 -30.825 10.543 19 2HD LYS 21 HD1 LYS 21 -12.975 -30.578 11.881 20 1HE LYS 21 HE2 LYS 21 -14.839 -28.956 11.868 21 2HE LYS 21 HE1 LYS 21 -13.270 -28.178 11.763 22 1HZ LYS 21 HZ2 LYS 21 -14.037 -28.645 9.096 23 2HZ LYS 21 HZ1 LYS 21 -15.421 -27.963 9.928 24 3HZ LYS 21 HZ3 LYS 21 -13.898 -27.235 9.932 25 H THR 22 HN THR 22 -9.866 -30.303 7.079 26 HA THR 22 HA THR 22 -7.238 -29.109 8.017 27 HB THR 22 HB THR 22 -7.003 -28.438 5.581 28 HG1 THR 22 HG1 THR 22 -9.595 -29.371 5.507 29 1HG2 THR 22 HG23 THR 22 -7.376 -31.410 6.083 30 2HG2 THR 22 HG22 THR 22 -6.424 -30.683 4.795 31 3HG2 THR 22 HG21 THR 22 -5.902 -30.516 6.469 32 H GLU 23 HN GLU 23 -10.473 -28.495 7.799 33 HA GLU 23 HA GLU 23 -9.877 -25.518 7.637 34 1HB GLU 23 HB2 GLU 23 -11.779 -25.119 6.209 35 2HB GLU 23 HB1 GLU 23 -10.745 -26.298 5.487 36 1HG GLU 23 HG2 GLU 23 -13.488 -26.665 6.702 37 2HG GLU 23 HG1 GLU 23 -12.968 -27.144 5.101 38 CH2 TRP 24 CH2 TRP 24 -7.532 -27.780 10.607 39 H TRP 24 HN TRP 24 -10.833 -24.097 8.979 40 HA TRP 24 HA TRP 24 -12.984 -25.217 10.751 41 1HB TRP 24 HB2 TRP 24 -10.485 -23.727 11.656 42 2HB TRP 24 HB1 TRP 24 -11.697 -24.220 12.647 43 HD1 TRP 24 HD1 TRP 24 -12.103 -26.211 13.462 44 HE1 TRP 24 HE1 TRP 24 -10.575 -28.353 13.517 45 HE3 TRP 24 HE3 TRP 24 -9.112 -24.834 9.996 46 HZ2 TRP 24 HZ2 TRP 24 -8.127 -29.197 12.040 47 HZ3 TRP 24 HZ3 TRP 24 -7.154 -26.176 9.250 48 HH2 TRP 24 HH2 TRP 24 -6.701 -28.398 10.296 49 HA PRO 25 HA PRO 25 -14.873 -21.234 10.108 50 1HB PRO 25 HB2 PRO 25 -17.251 -22.155 9.196 51 2HB PRO 25 HB1 PRO 25 -15.805 -22.078 8.162 52 1HG PRO 25 HG2 PRO 25 -16.796 -24.510 9.670 53 2HG PRO 25 HG1 PRO 25 -16.513 -24.349 7.932 54 1HD PRO 25 HD1 PRO 25 -14.535 -25.300 9.560 55 2HD PRO 25 HD2 PRO 25 -14.085 -24.233 8.211 56 H GLU 26 HN GLU 26 -15.945 -24.140 11.768 57 HA GLU 26 HA GLU 26 -17.988 -23.100 13.416 58 1HB GLU 26 HB2 GLU 26 -15.984 -25.260 14.024 59 2HB GLU 26 HB1 GLU 26 -17.610 -25.189 14.678 60 1HG GLU 26 HG2 GLU 26 -17.961 -26.715 12.853 61 2HG GLU 26 HG1 GLU 26 -18.166 -25.230 11.962 62 H LEU 27 HN LEU 27 -14.566 -23.160 13.898 63 HA LEU 27 HA LEU 27 -14.701 -22.211 16.647 64 1HB LEU 27 HB2 LEU 27 -12.309 -22.404 16.570 65 2HB LEU 27 HB1 LEU 27 -13.102 -23.748 15.781 66 HG LEU 27 HG LEU 27 -12.594 -22.894 13.622 67 1HD1 LEU 27 HD12 LEU 27 -10.728 -21.068 15.194 68 2HD1 LEU 27 HD11 LEU 27 -10.743 -21.260 13.442 69 3HD1 LEU 27 HD13 LEU 27 -12.095 -20.502 14.240 70 1HD2 LEU 27 HD21 LEU 27 -10.415 -23.440 15.679 71 2HD2 LEU 27 HD23 LEU 27 -11.368 -24.639 14.904 72 3HD2 LEU 27 HD22 LEU 27 -10.193 -23.691 13.961 73 H VAL 28 HN VAL 28 -14.808 -20.741 13.557 74 HA VAL 28 HA VAL 28 -13.665 -18.187 13.916 75 HB VAL 28 HB VAL 28 -16.237 -18.998 12.500 76 1HG1 VAL 28 HG13 VAL 28 -14.611 -16.459 12.042 77 2HG1 VAL 28 HG12 VAL 28 -15.950 -17.013 11.060 78 3HG1 VAL 28 HG11 VAL 28 -16.224 -16.558 12.727 79 1HG2 VAL 28 HG22 VAL 28 -14.072 -20.158 11.702 80 2HG2 VAL 28 HG21 VAL 28 -14.694 -19.142 10.463 81 3HG2 VAL 28 HG23 VAL 28 -13.371 -18.586 11.442 82 H GLY 29 HN GLY 29 -14.695 -16.035 14.637 83 1HA GLY 29 HA2 GLY 29 -16.166 -14.750 15.973 84 2HA GLY 29 HA1 GLY 29 -17.134 -16.178 16.285 85 H LYS 30 HN LYS 30 -14.347 -17.323 17.031 86 HA LYS 30 HA LYS 30 -14.254 -16.429 19.861 87 1HB LYS 30 HB2 LYS 30 -13.801 -19.003 18.470 88 2HB LYS 30 HB1 LYS 30 -13.193 -18.815 20.076 89 1HG LYS 30 HG2 LYS 30 -15.332 -19.720 20.648 90 2HG LYS 30 HG1 LYS 30 -15.594 -18.012 20.776 91 1HD LYS 30 HD2 LYS 30 -17.429 -18.307 19.458 92 2HD LYS 30 HD1 LYS 30 -16.316 -18.392 18.112 93 1HE LYS 30 HE2 LYS 30 -17.122 -20.811 19.741 94 2HE LYS 30 HE1 LYS 30 -17.924 -20.315 18.247 95 1HZ LYS 30 HZ2 LYS 30 -15.197 -20.217 17.737 96 2HZ LYS 30 HZ1 LYS 30 -15.405 -21.638 18.604 97 3HZ LYS 30 HZ3 LYS 30 -16.320 -21.353 17.139 98 H SER 31 HN SER 31 -12.054 -16.853 20.978 99 HA SER 31 HA SER 31 -9.800 -15.957 19.221 100 1HB SER 31 HB2 SER 31 -8.795 -15.798 21.724 101 2HB SER 31 HB1 SER 31 -10.127 -14.693 21.398 102 HG SER 31 HG1 SER 31 -10.188 -16.687 23.235 103 H VAL 32 HN VAL 32 -7.963 -16.292 19.488 104 HA VAL 32 HA VAL 32 -7.610 -18.559 18.221 105 HB VAL 32 HB VAL 32 -6.379 -16.442 18.539 106 1HG1 VAL 32 HG13 VAL 32 -5.992 -16.618 20.982 107 2HG1 VAL 32 HG12 VAL 32 -4.821 -17.885 20.781 108 3HG1 VAL 32 HG11 VAL 32 -4.499 -16.277 20.143 109 1HG2 VAL 32 HG23 VAL 32 -5.359 -18.295 17.084 110 2HG2 VAL 32 HG22 VAL 32 -4.055 -17.426 17.873 111 3HG2 VAL 32 HG21 VAL 32 -4.576 -18.979 18.502 112 H GLU 33 HN GLU 33 -7.643 -18.520 21.604 113 HA GLU 33 HA GLU 33 -6.117 -20.926 22.137 114 1HB GLU 33 HB2 GLU 33 -7.144 -20.653 24.472 115 2HB GLU 33 HB1 GLU 33 -6.732 -19.069 23.863 116 1HG GLU 33 HG2 GLU 33 -9.197 -18.888 23.015 117 2HG GLU 33 HG1 GLU 33 -9.517 -20.327 23.973 118 H GLU 34 HN GLU 34 -9.480 -20.370 22.099 119 HA GLU 34 HA GLU 34 -10.308 -23.130 22.173 120 1HB GLU 34 HB2 GLU 34 -11.972 -21.249 22.375 121 2HB GLU 34 HB1 GLU 34 -11.759 -20.862 20.675 122 1HG GLU 34 HG2 GLU 34 -12.275 -23.678 20.618 123 2HG GLU 34 HG1 GLU 34 -13.285 -23.123 21.925 124 H ALA 35 HN ALA 35 -9.720 -20.839 19.500 125 HA ALA 35 HA ALA 35 -10.096 -22.629 17.394 126 1HB ALA 35 HB3 ALA 35 -7.880 -20.540 17.579 127 2HB ALA 35 HB2 ALA 35 -8.416 -21.351 16.107 128 3HB ALA 35 HB1 ALA 35 -9.532 -20.316 17.004 129 H LYS 36 HN LYS 36 -6.970 -22.239 19.162 130 HA LYS 36 HA LYS 36 -5.641 -24.191 17.603 131 1HB LYS 36 HB2 LYS 36 -5.262 -23.297 20.510 132 2HB LYS 36 HB1 LYS 36 -4.168 -24.411 19.698 133 1HG LYS 36 HG2 LYS 36 -3.675 -22.712 18.024 134 2HG LYS 36 HG1 LYS 36 -4.824 -21.614 18.677 135 1HD LYS 36 HD2 LYS 36 -2.685 -20.893 19.526 136 2HD LYS 36 HD1 LYS 36 -3.517 -21.639 20.863 137 1HE LYS 36 HE2 LYS 36 -1.604 -22.846 21.181 138 2HE LYS 36 HE1 LYS 36 -2.156 -23.813 19.827 139 1HZ LYS 36 HZ3 LYS 36 -0.849 -21.557 18.736 140 2HZ LYS 36 HZ2 LYS 36 0.119 -22.139 19.946 141 3HZ LYS 36 HZ1 LYS 36 -0.264 -23.130 18.695 142 H LYS 37 HN LYS 37 -7.271 -24.317 20.590 143 HA LYS 37 HA LYS 37 -6.956 -26.973 21.200 144 1HB LYS 37 HB2 LYS 37 -8.051 -25.231 22.653 145 2HB LYS 37 HB1 LYS 37 -9.476 -25.338 21.646 146 1HG LYS 37 HG2 LYS 37 -8.514 -27.963 22.687 147 2HG LYS 37 HG1 LYS 37 -9.062 -26.849 23.916 148 1HD LYS 37 HD2 LYS 37 -11.264 -26.780 23.130 149 2HD LYS 37 HD1 LYS 37 -10.860 -27.170 21.485 150 1HE LYS 37 HE2 LYS 37 -10.563 -29.154 23.762 151 2HE LYS 37 HE1 LYS 37 -12.039 -29.017 22.813 152 1HZ LYS 37 HZ3 LYS 37 -9.819 -29.098 21.022 153 2HZ LYS 37 HZ2 LYS 37 -9.683 -30.404 22.080 154 3HZ LYS 37 HZ1 LYS 37 -11.040 -30.279 21.214 155 H VAL 38 HN VAL 38 -9.315 -25.540 19.205 156 HA VAL 38 HA VAL 38 -10.817 -27.909 18.489 157 HB VAL 38 HB VAL 38 -10.450 -25.362 16.837 158 1HG1 VAL 38 HG12 VAL 38 -12.552 -27.576 16.766 159 2HG1 VAL 38 HG11 VAL 38 -12.584 -26.130 15.791 160 3HG1 VAL 38 HG13 VAL 38 -11.315 -27.309 15.558 161 1HG2 VAL 38 HG22 VAL 38 -11.553 -24.828 19.002 162 2HG2 VAL 38 HG21 VAL 38 -12.447 -24.540 17.535 163 3HG2 VAL 38 HG23 VAL 38 -12.852 -25.928 18.573 164 H ILE 39 HN ILE 39 -8.499 -26.027 16.644 165 HA ILE 39 HA ILE 39 -8.532 -27.718 14.378 166 HB ILE 39 HB ILE 39 -6.386 -25.841 15.500 167 1HG1 ILE 39 HG12 ILE 39 -8.810 -25.566 13.620 168 2HG1 ILE 39 HG11 ILE 39 -8.708 -24.868 15.191 169 1HG2 ILE 39 HG22 ILE 39 -6.064 -27.591 13.437 170 2HG2 ILE 39 HG21 ILE 39 -7.051 -26.296 12.608 171 3HG2 ILE 39 HG23 ILE 39 -5.477 -25.957 13.379 172 1HD1 ILE 39 HD3 ILE 39 -6.752 -24.225 12.985 173 2HD1 ILE 39 HD2 ILE 39 -8.196 -23.256 13.426 174 3HD1 ILE 39 HD1 ILE 39 -6.940 -23.491 14.638 175 H LEU 40 HN LEU 40 -6.181 -27.556 16.999 176 HA LEU 40 HA LEU 40 -4.818 -29.912 16.323 177 1HB LEU 40 HB2 LEU 40 -5.393 -28.361 18.896 178 2HB LEU 40 HB1 LEU 40 -4.331 -29.725 18.879 179 HG LEU 40 HG LEU 40 -3.453 -28.279 16.693 180 1HD1 LEU 40 HD11 LEU 40 -4.107 -26.240 18.741 181 2HD1 LEU 40 HD13 LEU 40 -3.020 -25.992 17.392 182 3HD1 LEU 40 HD12 LEU 40 -4.698 -26.304 17.071 183 1HD2 LEU 40 HD22 LEU 40 -2.481 -28.067 19.588 184 2HD2 LEU 40 HD21 LEU 40 -2.020 -29.330 18.453 185 3HD2 LEU 40 HD23 LEU 40 -1.503 -27.682 18.173 186 H GLN 41 HN GLN 41 -7.967 -29.516 17.728 187 HA GLN 41 HA GLN 41 -8.175 -32.211 18.783 188 1HB GLN 41 HB2 GLN 41 -9.791 -30.275 19.248 189 2HB GLN 41 HB1 GLN 41 -10.495 -30.548 17.667 190 1HG GLN 41 HG2 GLN 41 -11.899 -31.769 19.226 191 2HG GLN 41 HG1 GLN 41 -10.977 -32.940 18.311 192 1HE2 GLN 41 HE22 GLN 41 -9.538 -34.241 21.184 193 2HE2 GLN 41 HE21 GLN 41 -9.877 -34.436 19.517 194 H ASP 42 HN ASP 42 -8.614 -30.781 15.754 195 HA ASP 42 HA ASP 42 -9.563 -33.262 14.430 196 1HB ASP 42 HB2 ASP 42 -9.169 -30.414 13.390 197 2HB ASP 42 HB1 ASP 42 -9.864 -31.788 12.507 198 H LYS 43 HN LYS 43 -6.808 -31.100 13.904 199 HA LYS 43 HA LYS 43 -5.354 -33.356 12.473 200 1HB LYS 43 HB2 LYS 43 -6.121 -31.217 11.116 201 2HB LYS 43 HB1 LYS 43 -4.830 -30.376 11.941 202 1HG LYS 43 HG2 LYS 43 -3.653 -32.813 10.974 203 2HG LYS 43 HG1 LYS 43 -4.737 -32.326 9.693 204 1HD LYS 43 HD2 LYS 43 -3.164 -30.857 8.946 205 2HD LYS 43 HD1 LYS 43 -3.409 -29.915 10.405 206 1HE LYS 43 HE2 LYS 43 -1.087 -30.396 10.304 207 2HE LYS 43 HE1 LYS 43 -1.757 -31.376 11.606 208 1HZ LYS 43 HZ3 LYS 43 -1.968 -32.785 9.109 209 2HZ LYS 43 HZ2 LYS 43 -0.354 -32.360 9.368 210 3HZ LYS 43 HZ1 LYS 43 -1.205 -33.265 10.508 211 HA PRO 44 HA PRO 44 -3.816 -32.577 16.773 212 1HB PRO 44 HB2 PRO 44 -2.326 -35.014 15.766 213 2HB PRO 44 HB1 PRO 44 -2.867 -34.646 17.411 214 1HG PRO 44 HG2 PRO 44 -4.526 -36.147 15.981 215 2HG PRO 44 HG1 PRO 44 -5.235 -34.722 16.752 216 1HD PRO 44 HD1 PRO 44 -4.347 -35.020 13.868 217 2HD PRO 44 HD2 PRO 44 -5.857 -34.339 14.525 218 H GLU 45 HN GLU 45 -1.650 -32.707 13.995 219 HA GLU 45 HA GLU 45 0.607 -31.676 15.516 220 1HB GLU 45 HB2 GLU 45 0.376 -31.927 12.581 221 2HB GLU 45 HB1 GLU 45 1.831 -32.223 13.531 222 1HG GLU 45 HG2 GLU 45 1.265 -34.505 13.248 223 2HG GLU 45 HG1 GLU 45 -0.102 -34.251 14.315 224 H ALA 46 HN ALA 46 -2.071 -30.242 14.246 225 HA ALA 46 HA ALA 46 -1.070 -28.010 12.817 226 1HB ALA 46 HB2 ALA 46 -3.464 -28.754 12.863 227 2HB ALA 46 HB1 ALA 46 -3.568 -28.303 14.544 228 3HB ALA 46 HB3 ALA 46 -3.332 -27.063 13.344 229 H GLN 47 HN GLN 47 0.638 -26.924 13.773 230 HA GLN 47 HA GLN 47 0.384 -25.918 16.544 231 1HB GLN 47 HB2 GLN 47 2.593 -26.836 15.381 232 2HB GLN 47 HB1 GLN 47 2.645 -25.255 14.628 233 1HG GLN 47 HG2 GLN 47 2.741 -25.932 17.616 234 2HG GLN 47 HG1 GLN 47 3.931 -25.035 16.697 235 1HE2 GLN 47 HE21 GLN 47 2.400 -21.960 17.349 236 2HE2 GLN 47 HE22 GLN 47 3.668 -22.790 16.545 237 H ILE 48 HN ILE 48 -0.739 -24.191 16.701 238 HA ILE 48 HA ILE 48 -0.968 -22.329 14.405 239 HB ILE 48 HB ILE 48 -2.559 -23.084 16.632 240 1HG1 ILE 48 HG12 ILE 48 -2.824 -23.487 13.611 241 2HG1 ILE 48 HG11 ILE 48 -2.817 -24.724 14.845 242 1HG2 ILE 48 HG21 ILE 48 -2.934 -20.568 16.301 243 2HG2 ILE 48 HG23 ILE 48 -3.230 -20.889 14.586 244 3HG2 ILE 48 HG22 ILE 48 -4.347 -21.447 15.829 245 1HD1 ILE 48 HD2 ILE 48 -5.015 -22.770 14.527 246 2HD1 ILE 48 HD1 ILE 48 -4.874 -24.386 13.965 247 3HD1 ILE 48 HD3 ILE 48 -4.895 -24.119 15.689 248 H ILE 49 HN ILE 49 -1.087 -20.228 14.574 249 HA ILE 49 HA ILE 49 0.262 -18.768 16.790 250 HB ILE 49 HB ILE 49 0.461 -18.519 13.908 251 1HG1 ILE 49 HG12 ILE 49 1.969 -20.291 14.504 252 2HG1 ILE 49 HG11 ILE 49 2.957 -18.887 14.177 253 1HG2 ILE 49 HG23 ILE 49 1.753 -16.664 15.928 254 2HG2 ILE 49 HG22 ILE 49 2.217 -16.689 14.245 255 3HG2 ILE 49 HG21 ILE 49 0.598 -16.216 14.680 256 1HD1 ILE 49 HD1 ILE 49 3.058 -18.380 16.600 257 2HD1 ILE 49 HD3 ILE 49 2.093 -19.809 16.942 258 3HD1 ILE 49 HD2 ILE 49 3.690 -19.971 16.245 259 H VAL 50 HN VAL 50 -0.456 -16.381 16.676 260 HA VAL 50 HA VAL 50 -3.270 -16.221 15.685 261 HB VAL 50 HB VAL 50 -2.674 -15.845 18.176 262 1HG1 VAL 50 HG13 VAL 50 -1.326 -13.340 17.129 263 2HG1 VAL 50 HG12 VAL 50 -1.736 -13.655 18.805 264 3HG1 VAL 50 HG11 VAL 50 -0.565 -14.664 17.984 265 1HG2 VAL 50 HG23 VAL 50 -3.873 -13.555 16.591 266 2HG2 VAL 50 HG22 VAL 50 -4.756 -14.940 17.239 267 3HG2 VAL 50 HG21 VAL 50 -4.087 -13.741 18.326 268 H LEU 51 HN LEU 51 -3.627 -14.595 14.189 269 HA LEU 51 HA LEU 51 -1.333 -12.840 13.422 270 1HB LEU 51 HB2 LEU 51 -2.111 -15.169 11.982 271 2HB LEU 51 HB1 LEU 51 -2.716 -13.825 11.025 272 HG LEU 51 HG LEU 51 0.160 -14.092 12.049 273 1HD1 LEU 51 HD13 LEU 51 -1.025 -14.817 9.310 274 2HD1 LEU 51 HD12 LEU 51 0.678 -14.833 9.717 275 3HD1 LEU 51 HD11 LEU 51 -0.418 -15.977 10.479 276 1HD2 LEU 51 HD23 LEU 51 -0.630 -11.798 11.334 277 2HD2 LEU 51 HD22 LEU 51 0.610 -12.396 10.264 278 3HD2 LEU 51 HD21 LEU 51 -1.056 -12.381 9.766 279 HA PRO 52 HA PRO 52 -5.038 -10.343 13.704 280 1HB PRO 52 HB2 PRO 52 -3.953 -7.873 13.444 281 2HB PRO 52 HB1 PRO 52 -3.687 -8.850 14.893 282 1HG PRO 52 HG2 PRO 52 -1.887 -8.639 12.376 283 2HG PRO 52 HG1 PRO 52 -1.420 -8.381 14.059 284 1HD PRO 52 HD1 PRO 52 -1.027 -10.780 12.902 285 2HD PRO 52 HD2 PRO 52 -1.531 -10.707 14.598 286 H VAL 53 HN VAL 53 -6.476 -9.971 12.248 287 HA VAL 53 HA VAL 53 -6.484 -10.402 9.590 288 HB VAL 53 HB VAL 53 -8.112 -8.850 11.350 289 1HG1 VAL 53 HG13 VAL 53 -8.495 -9.103 8.305 290 2HG1 VAL 53 HG12 VAL 53 -9.769 -8.515 9.367 291 3HG1 VAL 53 HG11 VAL 53 -8.307 -7.570 9.137 292 1HG2 VAL 53 HG23 VAL 53 -8.059 -11.376 11.049 293 2HG2 VAL 53 HG22 VAL 53 -9.662 -10.672 10.749 294 3HG2 VAL 53 HG21 VAL 53 -8.630 -11.117 9.410 295 H GLY 54 HN GLY 54 -5.995 -9.740 7.977 296 1HA GLY 54 HA2 GLY 54 -5.848 -7.899 6.204 297 2HA GLY 54 HA1 GLY 54 -5.371 -6.790 7.476 298 H THR 55 HN THR 55 -3.507 -8.809 8.562 299 HA THR 55 HA THR 55 -1.045 -8.148 7.491 300 HB THR 55 HB THR 55 -2.200 -10.181 9.249 301 HG1 THR 55 HG1 THR 55 -2.430 -8.494 10.347 302 1HG2 THR 55 HG22 THR 55 0.511 -9.015 9.211 303 2HG2 THR 55 HG21 THR 55 -0.300 -10.070 10.381 304 3HG2 THR 55 HG23 THR 55 0.076 -10.710 8.782 305 H ILE 56 HN ILE 56 0.557 -10.114 6.881 306 HA ILE 56 HA ILE 56 -0.554 -11.198 4.369 307 HB ILE 56 HB ILE 56 2.285 -11.572 5.420 308 1HG1 ILE 56 HG12 ILE 56 1.161 -9.263 3.761 309 2HG1 ILE 56 HG11 ILE 56 1.875 -9.160 5.354 310 1HG2 ILE 56 HG22 ILE 56 1.638 -13.066 3.482 311 2HG2 ILE 56 HG21 ILE 56 1.111 -11.642 2.586 312 3HG2 ILE 56 HG23 ILE 56 2.800 -11.890 2.974 313 1HD1 ILE 56 HD2 ILE 56 4.071 -9.983 4.432 314 2HD1 ILE 56 HD1 ILE 56 3.373 -9.969 2.821 315 3HD1 ILE 56 HD3 ILE 56 3.552 -8.474 3.704 316 H VAL 57 HN VAL 57 -0.429 -13.282 3.629 317 HA VAL 57 HA VAL 57 0.078 -15.519 5.485 318 HB VAL 57 HB VAL 57 -2.169 -16.405 4.050 319 1HG1 VAL 57 HG13 VAL 57 -1.614 -15.855 6.938 320 2HG1 VAL 57 HG12 VAL 57 -2.952 -16.849 6.320 321 3HG1 VAL 57 HG11 VAL 57 -1.290 -17.328 6.052 322 1HG2 VAL 57 HG23 VAL 57 -2.736 -13.816 5.548 323 2HG2 VAL 57 HG22 VAL 57 -2.978 -14.165 3.824 324 3HG2 VAL 57 HG21 VAL 57 -3.977 -14.962 5.075 325 H THR 58 HN THR 58 -1.040 -15.384 2.180 326 HA THR 58 HA THR 58 0.092 -17.970 1.781 327 HB THR 58 HB THR 58 -0.770 -16.566 -0.500 328 HG1 THR 58 HG1 THR 58 -2.584 -15.793 0.156 329 1HG2 THR 58 HG21 THR 58 -0.557 -19.051 -0.014 330 2HG2 THR 58 HG23 THR 58 -1.759 -18.885 1.251 331 3HG2 THR 58 HG22 THR 58 -2.263 -18.710 -0.443 332 H MET 59 HN MET 59 1.871 -17.558 2.244 333 HA MET 59 HA MET 59 4.094 -16.963 0.354 334 1HB MET 59 HB2 MET 59 3.948 -17.610 3.346 335 2HB MET 59 HB1 MET 59 5.446 -17.308 2.489 336 1HG MET 59 HG2 MET 59 4.709 -15.062 1.856 337 2HG MET 59 HG1 MET 59 3.201 -15.306 2.680 338 1HE MET 59 HE3 MET 59 6.731 -14.415 2.659 339 2HE MET 59 HE2 MET 59 7.141 -13.918 4.279 340 3HE MET 59 HE1 MET 59 7.197 -15.632 3.858 341 H GLU 60 HN GLU 60 5.560 -19.027 1.718 342 HA GLU 60 HA GLU 60 5.201 -21.336 0.074 343 1HB GLU 60 HB2 GLU 60 6.976 -22.164 1.383 344 2HB GLU 60 HB1 GLU 60 7.258 -20.482 1.238 345 1HG GLU 60 HG2 GLU 60 5.931 -21.612 3.767 346 2HG GLU 60 HG1 GLU 60 7.647 -21.356 3.582 347 OH TYR 61 OH TYR 61 0.323 -29.511 2.904 348 H TYR 61 HN TYR 61 5.528 -23.092 2.315 349 HA TYR 61 HA TYR 61 2.650 -23.775 2.622 350 1HB TYR 61 HB2 TYR 61 4.548 -25.399 1.648 351 2HB TYR 61 HB1 TYR 61 4.947 -25.648 3.325 352 HD1 TYR 61 HD2 TYR 61 1.430 -25.176 3.354 353 HD2 TYR 61 HD1 TYR 61 4.501 -27.840 2.220 354 HE1 TYR 61 HE2 TYR 61 -0.188 -27.074 3.379 355 HE2 TYR 61 HE1 TYR 61 2.901 -29.734 2.277 356 HH TYR 61 HH TYR 61 0.738 -30.297 2.550 357 NH1 ARG 62 NH2 ARG 62 -0.390 -20.710 4.850 358 NH2 ARG 62 NH1 ARG 62 0.659 -21.136 2.937 359 H ARG 62 HN ARG 62 1.745 -23.132 4.467 360 HA ARG 62 HA ARG 62 3.510 -22.981 6.848 361 1HB ARG 62 HB2 ARG 62 0.890 -21.638 6.279 362 2HB ARG 62 HB1 ARG 62 1.627 -21.560 7.832 363 1HG ARG 62 HG2 ARG 62 2.483 -19.516 6.824 364 2HG ARG 62 HG1 ARG 62 3.768 -20.691 6.623 365 1HD ARG 62 HD2 ARG 62 3.578 -19.568 4.526 366 2HD ARG 62 HD1 ARG 62 3.002 -21.198 4.338 367 HE ARG 62 HE ARG 62 1.311 -18.721 4.249 368 1HH1 ARG 62 HH22 ARG 62 -0.374 -20.170 5.682 369 2HH1 ARG 62 HH21 ARG 62 -1.108 -21.387 4.644 370 1HH2 ARG 62 HH11 ARG 62 1.436 -20.938 2.337 371 2HH2 ARG 62 HH12 ARG 62 -0.036 -21.816 2.705 372 H ILE 63 HN ILE 63 2.642 -25.208 5.969 373 HA ILE 63 HA ILE 63 0.346 -26.523 7.084 374 HB ILE 63 HB ILE 63 1.871 -27.266 5.179 375 1HG1 ILE 63 HG12 ILE 63 2.181 -29.598 5.641 376 2HG1 ILE 63 HG11 ILE 63 1.795 -29.319 7.352 377 1HG2 ILE 63 HG23 ILE 63 3.984 -26.579 6.227 378 2HG2 ILE 63 HG22 ILE 63 3.798 -27.838 7.429 379 3HG2 ILE 63 HG21 ILE 63 4.064 -28.256 5.747 380 1HD1 ILE 63 HD2 ILE 63 -0.164 -28.862 5.064 381 2HD1 ILE 63 HD1 ILE 63 -0.168 -30.249 6.136 382 3HD1 ILE 63 HD3 ILE 63 -0.469 -28.648 6.782 383 H ASP 64 HN ASP 64 3.210 -25.856 8.692 384 HA ASP 64 HA ASP 64 2.748 -27.739 10.850 385 1HB ASP 64 HB2 ASP 64 4.492 -26.331 11.968 386 2HB ASP 64 HB1 ASP 64 4.993 -26.585 10.303 387 NH1 ARG 65 NH1 ARG 65 4.009 -21.468 10.766 388 NH2 ARG 65 NH2 ARG 65 3.563 -19.284 11.021 389 H ARG 65 HN ARG 65 1.247 -25.100 9.611 390 HA ARG 65 HA ARG 65 -0.345 -24.486 11.980 391 1HB ARG 65 HB2 ARG 65 1.436 -22.997 11.841 392 2HB ARG 65 HB1 ARG 65 1.278 -22.947 10.098 393 1HG ARG 65 HG2 ARG 65 -0.599 -21.520 10.128 394 2HG ARG 65 HG1 ARG 65 -0.852 -21.705 11.859 395 1HD ARG 65 HD2 ARG 65 0.386 -19.527 11.227 396 2HD ARG 65 HD1 ARG 65 1.276 -20.573 12.331 397 HE ARG 65 HE ARG 65 1.858 -20.775 9.379 398 1HH1 ARG 65 HH11 ARG 65 3.710 -22.396 10.500 399 2HH1 ARG 65 HH12 ARG 65 4.955 -21.373 11.068 400 1HH2 ARG 65 HH22 ARG 65 2.876 -18.567 10.920 401 2HH2 ARG 65 HH21 ARG 65 4.483 -19.101 11.345 402 H VAL 66 HN VAL 66 -2.171 -23.382 11.694 403 HA VAL 66 HA VAL 66 -3.711 -23.568 9.127 404 HB VAL 66 HB VAL 66 -4.816 -23.529 12.014 405 1HG1 VAL 66 HG13 VAL 66 -6.520 -22.858 10.145 406 2HG1 VAL 66 HG12 VAL 66 -6.076 -24.424 9.426 407 3HG1 VAL 66 HG11 VAL 66 -6.854 -24.419 10.992 408 1HG2 VAL 66 HG22 VAL 66 -4.696 -25.529 9.858 409 2HG2 VAL 66 HG21 VAL 66 -3.676 -25.680 11.333 410 3HG2 VAL 66 HG23 VAL 66 -5.463 -25.695 11.483 411 NH1 ARG 67 NH2 ARG 67 -3.578 -16.830 13.084 412 NH2 ARG 67 NH1 ARG 67 -3.078 -18.986 12.896 413 H ARG 67 HN ARG 67 -4.191 -21.442 8.368 414 HA ARG 67 HA ARG 67 -3.445 -19.374 10.414 415 1HB ARG 67 HB2 ARG 67 -2.243 -19.268 8.439 416 2HB ARG 67 HB1 ARG 67 -3.718 -18.931 7.503 417 1HG ARG 67 HG2 ARG 67 -2.113 -17.028 8.506 418 2HG ARG 67 HG1 ARG 67 -3.838 -16.828 8.191 419 1HD ARG 67 HD2 ARG 67 -2.929 -15.779 10.231 420 2HD ARG 67 HD1 ARG 67 -4.360 -16.720 10.457 421 HE ARG 67 HE ARG 67 -1.718 -18.047 11.052 422 1HH1 ARG 67 HH22 ARG 67 -3.617 -15.927 12.665 423 2HH1 ARG 67 HH21 ARG 67 -3.919 -17.009 14.001 424 1HH2 ARG 67 HH12 ARG 67 -2.785 -19.744 12.304 425 2HH2 ARG 67 HH11 ARG 67 -3.371 -19.132 13.844 426 H LEU 68 HN LEU 68 -4.934 -18.769 11.609 427 HA LEU 68 HA LEU 68 -7.601 -18.098 10.407 428 1HB LEU 68 HB2 LEU 68 -7.149 -18.162 13.388 429 2HB LEU 68 HB1 LEU 68 -8.571 -18.507 12.450 430 HG LEU 68 HG LEU 68 -6.165 -20.394 12.366 431 1HD1 LEU 68 HD11 LEU 68 -7.125 -19.949 14.704 432 2HD1 LEU 68 HD13 LEU 68 -8.649 -20.570 14.087 433 3HD1 LEU 68 HD12 LEU 68 -7.234 -21.586 14.141 434 1HD2 LEU 68 HD23 LEU 68 -9.177 -20.719 11.812 435 2HD2 LEU 68 HD22 LEU 68 -7.971 -20.540 10.562 436 3HD2 LEU 68 HD21 LEU 68 -7.950 -21.943 11.603 437 H PHE 69 HN PHE 69 -7.330 -16.061 9.678 438 HA PHE 69 HA PHE 69 -5.884 -14.101 11.208 439 1HB PHE 69 HB2 PHE 69 -7.631 -14.117 8.673 440 2HB PHE 69 HB1 PHE 69 -7.387 -12.524 9.424 441 HD1 PHE 69 HD2 PHE 69 -5.446 -11.823 10.180 442 HD2 PHE 69 HD1 PHE 69 -5.665 -15.218 7.617 443 HE1 PHE 69 HE2 PHE 69 -3.093 -11.635 9.794 444 HE2 PHE 69 HE1 PHE 69 -3.428 -15.030 7.180 445 HZ PHE 69 HZ PHE 69 -1.983 -13.254 8.137 446 H VAL 70 HN VAL 70 -6.317 -13.189 12.849 447 HA VAL 70 HA VAL 70 -9.095 -13.422 14.044 448 HB VAL 70 HB VAL 70 -8.087 -13.213 16.206 449 1HG1 VAL 70 HG11 VAL 70 -6.263 -14.982 14.568 450 2HG1 VAL 70 HG13 VAL 70 -6.474 -15.014 16.327 451 3HG1 VAL 70 HG12 VAL 70 -7.787 -15.450 15.286 452 1HG2 VAL 70 HG23 VAL 70 -6.322 -11.486 15.724 453 2HG2 VAL 70 HG22 VAL 70 -5.777 -12.880 16.629 454 3HG2 VAL 70 HG21 VAL 70 -5.369 -12.743 14.923 455 H ASP 71 HN ASP 71 -9.586 -11.286 15.494 456 HA ASP 71 HA ASP 71 -9.026 -9.097 13.560 457 1HB ASP 71 HB2 ASP 71 -11.149 -8.228 14.254 458 2HB ASP 71 HB1 ASP 71 -11.312 -9.900 14.385 459 H LYS 72 HN LYS 72 -9.971 -7.525 15.645 460 HA LYS 72 HA LYS 72 -7.410 -6.653 16.827 461 1HB LYS 72 HB2 LYS 72 -10.135 -5.336 16.605 462 2HB LYS 72 HB1 LYS 72 -8.879 -4.647 17.610 463 1HG LYS 72 HG2 LYS 72 -9.026 -3.572 15.355 464 2HG LYS 72 HG1 LYS 72 -7.449 -4.190 15.797 465 1HD LYS 72 HD2 LYS 72 -7.554 -6.041 14.329 466 2HD LYS 72 HD1 LYS 72 -9.284 -5.931 14.118 467 1HE LYS 72 HE2 LYS 72 -7.538 -3.603 13.312 468 2HE LYS 72 HE1 LYS 72 -7.596 -5.000 12.245 469 1HZ LYS 72 HZ3 LYS 72 -10.199 -4.447 13.154 470 2HZ LYS 72 HZ2 LYS 72 -9.579 -2.976 12.579 471 3HZ LYS 72 HZ1 LYS 72 -9.625 -4.335 11.555 472 H LEU 73 HN LEU 73 -9.492 -8.561 17.611 473 HA LEU 73 HA LEU 73 -9.102 -8.437 20.575 474 1HB LEU 73 HB2 LEU 73 -11.549 -9.046 18.971 475 2HB LEU 73 HB1 LEU 73 -11.531 -9.173 20.731 476 HG LEU 73 HG LEU 73 -11.059 -6.709 19.019 477 1HD1 LEU 73 HD12 LEU 73 -13.475 -7.543 20.699 478 2HD1 LEU 73 HD11 LEU 73 -13.327 -5.982 19.901 479 3HD1 LEU 73 HD13 LEU 73 -13.393 -7.457 18.945 480 1HD2 LEU 73 HD22 LEU 73 -11.405 -7.030 22.068 481 2HD2 LEU 73 HD21 LEU 73 -9.921 -6.554 21.259 482 3HD2 LEU 73 HD23 LEU 73 -11.295 -5.465 21.272 483 H ASP 74 HN ASP 74 -7.696 -9.909 18.573 484 HA ASP 74 HA ASP 74 -7.202 -12.025 17.796 485 1HB ASP 74 HB2 ASP 74 -5.784 -12.487 19.592 486 2HB ASP 74 HB1 ASP 74 -6.687 -11.380 20.576 487 H ASN 75 HN ASN 75 -10.086 -11.667 17.893 488 HA ASN 75 HA ASN 75 -10.959 -14.476 18.276 489 1HB ASN 75 HB2 ASN 75 -12.277 -11.746 18.263 490 2HB ASN 75 HB1 ASN 75 -13.293 -13.143 17.963 491 1HD2 ASN 75 HD22 ASN 75 -12.483 -12.383 21.667 492 2HD2 ASN 75 HD21 ASN 75 -12.688 -11.238 20.397 493 H ILE 76 HN ILE 76 -11.623 -15.591 16.535 494 HA ILE 76 HA ILE 76 -10.475 -15.103 14.047 495 HB ILE 76 HB ILE 76 -12.389 -17.121 15.082 496 1HG1 ILE 76 HG12 ILE 76 -9.468 -16.381 14.889 497 2HG1 ILE 76 HG11 ILE 76 -10.445 -16.869 16.305 498 1HG2 ILE 76 HG21 ILE 76 -10.628 -17.032 12.516 499 2HG2 ILE 76 HG23 ILE 76 -11.599 -18.422 13.004 500 3HG2 ILE 76 HG22 ILE 76 -12.368 -16.953 12.462 501 1HD1 ILE 76 HD2 ILE 76 -10.712 -18.953 15.667 502 2HD1 ILE 76 HD1 ILE 76 -9.740 -18.712 14.184 503 3HD1 ILE 76 HD3 ILE 76 -8.979 -18.568 15.804 504 H ALA 77 HN ALA 77 -10.897 -13.944 12.765 505 HA ALA 77 HA ALA 77 -13.528 -12.819 12.335 506 1HB ALA 77 HB1 ALA 77 -11.496 -11.761 13.320 507 2HB ALA 77 HB3 ALA 77 -10.538 -12.262 11.985 508 3HB ALA 77 HB2 ALA 77 -11.745 -10.956 11.759 509 H GLN 78 HN GLN 78 -10.835 -14.487 11.051 510 HA GLN 78 HA GLN 78 -12.387 -15.328 8.643 511 1HB GLN 78 HB2 GLN 78 -9.492 -14.884 9.100 512 2HB GLN 78 HB1 GLN 78 -10.028 -15.815 7.709 513 1HG GLN 78 HG2 GLN 78 -11.659 -13.650 7.357 514 2HG GLN 78 HG1 GLN 78 -10.386 -12.860 8.282 515 1HE2 GLN 78 HE21 GLN 78 -8.595 -12.630 5.231 516 2HE2 GLN 78 HE22 GLN 78 -9.128 -11.776 6.606 517 H VAL 79 HN VAL 79 -12.879 -17.242 8.267 518 HA VAL 79 HA VAL 79 -12.707 -19.503 9.734 519 HB VAL 79 HB VAL 79 -13.022 -19.333 6.713 520 1HG1 VAL 79 HG13 VAL 79 -13.453 -21.552 8.664 521 2HG1 VAL 79 HG12 VAL 79 -14.016 -21.656 6.969 522 3HG1 VAL 79 HG11 VAL 79 -12.295 -21.555 7.312 523 1HG2 VAL 79 HG22 VAL 79 -14.596 -18.130 7.845 524 2HG2 VAL 79 HG21 VAL 79 -15.223 -19.508 6.961 525 3HG2 VAL 79 HG23 VAL 79 -15.176 -19.581 8.702 526 HA PRO 80 HA PRO 80 -9.677 -21.137 5.958 527 1HB PRO 80 HB2 PRO 80 -7.992 -19.395 7.701 528 2HB PRO 80 HB1 PRO 80 -7.496 -20.000 6.115 529 1HG PRO 80 HG2 PRO 80 -8.928 -17.637 6.402 530 2HG PRO 80 HG1 PRO 80 -9.210 -18.681 5.016 531 1HD PRO 80 HD1 PRO 80 -11.241 -18.188 7.102 532 2HD PRO 80 HD2 PRO 80 -11.337 -19.439 5.912 533 NH1 ARG 81 NH2 ARG 81 -3.644 -24.296 2.355 534 NH2 ARG 81 NH1 ARG 81 -5.047 -25.225 0.929 535 H ARG 81 HN ARG 81 -6.927 -21.989 6.564 536 HA ARG 81 HA ARG 81 -7.630 -24.471 7.759 537 1HB ARG 81 HB2 ARG 81 -7.164 -25.664 5.571 538 2HB ARG 81 HB1 ARG 81 -8.643 -24.728 5.659 539 1HG ARG 81 HG2 ARG 81 -7.764 -23.002 4.427 540 2HG ARG 81 HG1 ARG 81 -6.119 -23.441 4.829 541 1HD ARG 81 HD2 ARG 81 -7.605 -25.510 3.216 542 2HD ARG 81 HD1 ARG 81 -7.214 -24.034 2.331 543 HE ARG 81 HE ARG 81 -5.115 -25.642 3.827 544 1HH1 ARG 81 HH21 ARG 81 -3.411 -24.048 3.300 545 2HH1 ARG 81 HH22 ARG 81 -3.004 -24.065 1.636 546 1HH2 ARG 81 HH11 ARG 81 -5.921 -25.681 0.834 547 2HH2 ARG 81 HH12 ARG 81 -4.438 -25.040 0.166 548 H VAL 82 HN VAL 82 -6.157 -26.038 7.331 549 HA VAL 82 HA VAL 82 -3.478 -25.327 8.159 550 HB VAL 82 HB VAL 82 -4.329 -27.968 6.855 551 1HG1 VAL 82 HG13 VAL 82 -1.887 -27.302 7.103 552 2HG1 VAL 82 HG12 VAL 82 -2.273 -26.955 8.796 553 3HG1 VAL 82 HG11 VAL 82 -2.310 -28.636 8.189 554 1HG2 VAL 82 HG21 VAL 82 -5.586 -27.326 8.981 555 2HG2 VAL 82 HG23 VAL 82 -4.680 -28.847 9.001 556 3HG2 VAL 82 HG22 VAL 82 -4.010 -27.414 9.777 557 H GLY 83 HN GLY 83 -1.710 -24.934 6.955 558 1HA GLY 83 GLY 83 -0.355 -25.446 4.972 559 2HA GLY 83 HA1 GLY 83 -1.800 -25.686 4.052 Start of MODEL 14 Raw file had 559 H/Q atoms Start of MODEL 14 1 H LEU 20 HN LEU 20 -7.634 -32.946 9.467 2 HA LEU 20 HA LEU 20 -7.600 -34.602 7.001 3 1HB LEU 20 HB2 LEU 20 -8.717 -35.462 9.145 4 2HB LEU 20 HB1 LEU 20 -9.846 -34.148 9.046 5 HG LEU 20 HG LEU 20 -10.640 -36.466 8.213 6 1HD1 LEU 20 HD11 LEU 20 -11.876 -34.393 7.661 7 2HD1 LEU 20 HD13 LEU 20 -10.867 -34.152 6.244 8 3HD1 LEU 20 HD12 LEU 20 -11.934 -35.545 6.335 9 1HD2 LEU 20 HD22 LEU 20 -8.594 -36.996 6.879 10 2HD2 LEU 20 HD21 LEU 20 -10.046 -37.051 5.892 11 3HD2 LEU 20 HD23 LEU 20 -8.972 -35.672 5.782 12 H LYS 21 HN LYS 21 -8.913 -31.794 8.584 13 HA LYS 21 HA LYS 21 -9.975 -30.558 6.054 14 1HB LYS 21 HB2 LYS 21 -10.155 -30.019 8.979 15 2HB LYS 21 HB1 LYS 21 -10.874 -28.945 7.821 16 1HG LYS 21 HG2 LYS 21 -12.368 -30.700 7.017 17 2HG LYS 21 HG1 LYS 21 -11.538 -31.936 7.937 18 1HD LYS 21 HD2 LYS 21 -13.677 -31.294 9.022 19 2HD LYS 21 HD1 LYS 21 -12.322 -30.944 10.059 20 1HE LYS 21 HE2 LYS 21 -13.399 -28.771 8.245 21 2HE LYS 21 HE1 LYS 21 -14.220 -29.141 9.764 22 1HZ LYS 21 HZ1 LYS 21 -11.539 -29.039 10.371 23 2HZ LYS 21 HZ3 LYS 21 -11.826 -27.677 9.389 24 3HZ LYS 21 HZ2 LYS 21 -12.749 -27.931 10.804 25 H THR 22 HN THR 22 -9.127 -28.741 5.242 26 HA THR 22 HA THR 22 -6.488 -27.901 6.467 27 HB THR 22 HB THR 22 -5.987 -26.883 4.222 28 HG1 THR 22 HG1 THR 22 -8.651 -27.451 3.856 29 1HG2 THR 22 HG22 THR 22 -6.925 -29.788 4.129 30 2HG2 THR 22 HG21 THR 22 -5.749 -29.053 3.058 31 3HG2 THR 22 HG23 THR 22 -5.361 -29.290 4.762 32 H GLU 23 HN GLU 23 -9.490 -27.205 6.616 33 HA GLU 23 HA GLU 23 -9.077 -24.312 7.206 34 1HB GLU 23 HB2 GLU 23 -10.986 -23.648 5.856 35 2HB GLU 23 HB1 GLU 23 -9.907 -24.619 4.883 36 1HG GLU 23 HG2 GLU 23 -12.534 -25.630 6.135 37 2HG GLU 23 HG1 GLU 23 -12.204 -25.448 4.425 38 CH2 TRP 24 CH2 TRP 24 -6.964 -27.754 9.867 39 H TRP 24 HN TRP 24 -10.460 -23.443 8.761 40 HA TRP 24 HA TRP 24 -12.363 -25.349 10.055 41 1HB TRP 24 HB2 TRP 24 -10.206 -23.761 11.628 42 2HB TRP 24 HB1 TRP 24 -11.484 -24.588 12.290 43 HD1 TRP 24 HD1 TRP 24 -11.678 -26.643 12.777 44 HE1 TRP 24 HE1 TRP 24 -10.182 -28.706 12.468 45 HE3 TRP 24 HE3 TRP 24 -8.389 -24.723 9.674 46 HZ2 TRP 24 HZ2 TRP 24 -7.716 -29.389 11.035 47 HZ3 TRP 24 HZ3 TRP 24 -6.486 -25.948 8.829 48 HH2 TRP 24 HH2 TRP 24 -6.118 -28.311 9.482 49 HA PRO 25 HA PRO 25 -14.653 -21.525 9.893 50 1HB PRO 25 HB2 PRO 25 -16.770 -22.337 8.424 51 2HB PRO 25 HB1 PRO 25 -15.155 -22.205 7.682 52 1HG PRO 25 HG2 PRO 25 -16.356 -24.758 8.801 53 2HG PRO 25 HG1 PRO 25 -15.815 -24.427 7.146 54 1HD PRO 25 HD1 PRO 25 -14.090 -25.507 8.972 55 2HD PRO 25 HD2 PRO 25 -13.506 -24.359 7.752 56 H GLU 26 HN GLU 26 -15.440 -24.788 10.881 57 HA GLU 26 HA GLU 26 -17.780 -24.440 12.402 58 1HB GLU 26 HB2 GLU 26 -17.078 -26.451 13.617 59 2HB GLU 26 HB1 GLU 26 -16.700 -26.621 11.911 60 1HG GLU 26 HG2 GLU 26 -14.391 -25.369 13.286 61 2HG GLU 26 HG1 GLU 26 -14.830 -26.847 14.093 62 H LEU 27 HN LEU 27 -14.680 -23.288 13.079 63 HA LEU 27 HA LEU 27 -15.357 -22.592 15.863 64 1HB LEU 27 HB2 LEU 27 -12.914 -22.821 16.190 65 2HB LEU 27 HB1 LEU 27 -13.594 -24.139 15.227 66 HG LEU 27 HG LEU 27 -12.728 -23.491 13.260 67 1HD1 LEU 27 HD12 LEU 27 -11.270 -21.312 14.809 68 2HD1 LEU 27 HD11 LEU 27 -10.972 -21.774 13.142 69 3HD1 LEU 27 HD13 LEU 27 -12.482 -21.009 13.573 70 1HD2 LEU 27 HD21 LEU 27 -10.837 -23.667 15.628 71 2HD2 LEU 27 HD23 LEU 27 -11.557 -24.992 14.795 72 3HD2 LEU 27 HD22 LEU 27 -10.331 -23.992 13.985 73 H VAL 28 HN VAL 28 -15.946 -21.067 13.234 74 HA VAL 28 HA VAL 28 -14.568 -18.522 13.446 75 HB VAL 28 HB VAL 28 -17.005 -19.604 11.996 76 1HG1 VAL 28 HG13 VAL 28 -16.005 -16.706 11.805 77 2HG1 VAL 28 HG12 VAL 28 -17.220 -17.451 10.777 78 3HG1 VAL 28 HG11 VAL 28 -17.558 -17.200 12.472 79 1HG2 VAL 28 HG22 VAL 28 -14.638 -20.051 11.145 80 2HG2 VAL 28 HG21 VAL 28 -15.631 -19.104 10.054 81 3HG2 VAL 28 HG23 VAL 28 -14.399 -18.327 11.037 82 H GLY 29 HN GLY 29 -15.458 -16.492 14.015 83 1HA GLY 29 HA2 GLY 29 -16.640 -15.004 15.472 84 2HA GLY 29 HA1 GLY 29 -17.907 -16.233 15.567 85 H LYS 30 HN LYS 30 -14.831 -17.305 16.317 86 HA LYS 30 HA LYS 30 -15.197 -17.068 19.252 87 1HB LYS 30 HB2 LYS 30 -14.128 -19.376 17.660 88 2HB LYS 30 HB1 LYS 30 -14.237 -19.405 19.391 89 1HG LYS 30 HG2 LYS 30 -16.512 -19.337 17.317 90 2HG LYS 30 HG1 LYS 30 -16.205 -20.667 18.382 91 1HD LYS 30 HD2 LYS 30 -16.864 -17.994 19.699 92 2HD LYS 30 HD1 LYS 30 -18.126 -18.753 18.789 93 1HE LYS 30 HE2 LYS 30 -18.086 -19.301 21.232 94 2HE LYS 30 HE1 LYS 30 -18.081 -20.697 20.155 95 1HZ LYS 30 HZ3 LYS 30 -15.395 -19.964 20.575 96 2HZ LYS 30 HZ2 LYS 30 -16.017 -19.936 22.056 97 3HZ LYS 30 HZ1 LYS 30 -16.109 -21.332 21.186 98 H SER 31 HN SER 31 -13.012 -17.556 20.479 99 HA SER 31 HA SER 31 -10.917 -16.100 18.856 100 1HB SER 31 HB2 SER 31 -10.575 -15.009 20.827 101 2HB SER 31 HB1 SER 31 -11.672 -16.107 21.579 102 HG SER 31 HG1 SER 31 -9.047 -15.988 21.727 103 H VAL 32 HN VAL 32 -9.123 -16.173 19.264 104 HA VAL 32 HA VAL 32 -8.284 -18.233 17.793 105 HB VAL 32 HB VAL 32 -7.571 -15.739 18.239 106 1HG1 VAL 32 HG11 VAL 32 -7.022 -16.017 20.617 107 2HG1 VAL 32 HG13 VAL 32 -5.690 -17.077 20.253 108 3HG1 VAL 32 HG12 VAL 32 -5.616 -15.387 19.791 109 1HG2 VAL 32 HG22 VAL 32 -6.229 -16.990 16.553 110 2HG2 VAL 32 HG21 VAL 32 -5.262 -15.855 17.466 111 3HG2 VAL 32 HG23 VAL 32 -5.155 -17.561 17.828 112 H GLU 33 HN GLU 33 -8.138 -18.158 21.205 113 HA GLU 33 HA GLU 33 -6.262 -20.441 21.232 114 1HB GLU 33 HB2 GLU 33 -7.662 -18.712 23.301 115 2HB GLU 33 HB1 GLU 33 -7.057 -20.252 23.873 116 1HG GLU 33 HG2 GLU 33 -5.404 -18.038 22.516 117 2HG GLU 33 HG1 GLU 33 -5.261 -18.544 24.188 118 H GLU 34 HN GLU 34 -9.624 -20.020 21.637 119 HA GLU 34 HA GLU 34 -10.344 -22.766 22.216 120 1HB GLU 34 HB2 GLU 34 -11.816 -20.605 20.679 121 2HB GLU 34 HB1 GLU 34 -12.498 -22.196 20.963 122 1HG GLU 34 HG2 GLU 34 -12.479 -21.755 23.439 123 2HG GLU 34 HG1 GLU 34 -11.836 -20.135 23.144 124 H ALA 35 HN ALA 35 -9.991 -20.931 19.133 125 HA ALA 35 HA ALA 35 -10.615 -23.000 17.400 126 1HB ALA 35 HB3 ALA 35 -8.344 -20.982 17.146 127 2HB ALA 35 HB2 ALA 35 -9.063 -21.873 15.794 128 3HB ALA 35 HB1 ALA 35 -10.014 -20.711 16.691 129 H LYS 36 HN LYS 36 -7.435 -22.432 18.806 130 HA LYS 36 HA LYS 36 -5.968 -24.398 17.479 131 1HB LYS 36 HB2 LYS 36 -5.753 -23.274 20.302 132 2HB LYS 36 HB1 LYS 36 -4.537 -24.344 19.599 133 1HG LYS 36 HG2 LYS 36 -4.209 -22.645 17.800 134 2HG LYS 36 HG1 LYS 36 -5.430 -21.631 18.546 135 1HD LYS 36 HD2 LYS 36 -4.017 -21.817 20.734 136 2HD LYS 36 HD1 LYS 36 -2.798 -22.603 19.765 137 1HE LYS 36 HE2 LYS 36 -2.192 -20.290 20.094 138 2HE LYS 36 HE1 LYS 36 -2.562 -20.565 18.402 139 1HZ LYS 36 HZ1 LYS 36 -5.011 -19.935 19.500 140 2HZ LYS 36 HZ3 LYS 36 -3.937 -18.971 20.370 141 3HZ LYS 36 HZ2 LYS 36 -4.040 -18.819 18.679 142 H LYS 37 HN LYS 37 -7.688 -24.477 20.398 143 HA LYS 37 HA LYS 37 -7.235 -27.108 21.084 144 1HB LYS 37 HB2 LYS 37 -9.625 -25.313 21.639 145 2HB LYS 37 HB1 LYS 37 -9.477 -26.901 22.344 146 1HG LYS 37 HG2 LYS 37 -8.554 -24.627 23.575 147 2HG LYS 37 HG1 LYS 37 -7.991 -26.235 23.943 148 1HD LYS 37 HD2 LYS 37 -6.001 -25.955 22.487 149 2HD LYS 37 HD1 LYS 37 -6.578 -24.418 21.904 150 1HE LYS 37 HE2 LYS 37 -5.976 -24.883 24.822 151 2HE LYS 37 HE1 LYS 37 -4.750 -24.349 23.680 152 1HZ LYS 37 HZ2 LYS 37 -7.061 -22.869 23.212 153 2HZ LYS 37 HZ1 LYS 37 -6.740 -22.727 24.893 154 3HZ LYS 37 HZ3 LYS 37 -5.594 -22.275 23.758 155 H VAL 38 HN VAL 38 -9.831 -25.759 19.199 156 HA VAL 38 HA VAL 38 -11.120 -28.244 18.427 157 HB VAL 38 HB VAL 38 -10.811 -25.739 16.681 158 1HG1 VAL 38 HG12 VAL 38 -12.848 -27.989 16.467 159 2HG1 VAL 38 HG11 VAL 38 -12.878 -26.538 15.491 160 3HG1 VAL 38 HG13 VAL 38 -11.568 -27.671 15.301 161 1HG2 VAL 38 HG23 VAL 38 -11.926 -25.063 18.736 162 2HG2 VAL 38 HG22 VAL 38 -12.905 -24.931 17.298 163 3HG2 VAL 38 HG21 VAL 38 -13.198 -26.247 18.454 164 H ILE 39 HN ILE 39 -8.869 -26.382 16.702 165 HA ILE 39 HA ILE 39 -8.664 -27.968 14.397 166 HB ILE 39 HB ILE 39 -6.683 -26.063 15.736 167 1HG1 ILE 39 HG12 ILE 39 -8.886 -25.818 13.643 168 2HG1 ILE 39 HG11 ILE 39 -8.875 -25.029 15.189 169 1HG2 ILE 39 HG21 ILE 39 -5.716 -27.584 13.970 170 2HG2 ILE 39 HG23 ILE 39 -7.009 -26.950 12.846 171 3HG2 ILE 39 HG22 ILE 39 -5.790 -25.901 13.462 172 1HD1 ILE 39 HD3 ILE 39 -6.928 -24.556 12.913 173 2HD1 ILE 39 HD2 ILE 39 -8.320 -23.516 13.416 174 3HD1 ILE 39 HD1 ILE 39 -6.888 -23.678 14.455 175 H LEU 40 HN LEU 40 -6.670 -27.993 17.280 176 HA LEU 40 HA LEU 40 -4.996 -30.121 16.475 177 1HB LEU 40 HB2 LEU 40 -6.075 -29.173 19.193 178 2HB LEU 40 HB1 LEU 40 -4.713 -30.239 19.011 179 HG LEU 40 HG LEU 40 -4.799 -27.461 17.735 180 1HD1 LEU 40 HD13 LEU 40 -4.721 -27.372 20.247 181 2HD1 LEU 40 HD12 LEU 40 -3.300 -28.407 20.205 182 3HD1 LEU 40 HD11 LEU 40 -3.234 -26.802 19.499 183 1HD2 LEU 40 HD22 LEU 40 -3.277 -29.098 16.615 184 2HD2 LEU 40 HD21 LEU 40 -2.479 -27.747 17.363 185 3HD2 LEU 40 HD23 LEU 40 -2.437 -29.332 18.141 186 H GLN 41 HN GLN 41 -8.345 -30.129 17.734 187 HA GLN 41 HA GLN 41 -8.415 -33.006 18.114 188 1HB GLN 41 HB2 GLN 41 -10.758 -31.140 17.360 189 2HB GLN 41 HB1 GLN 41 -10.908 -32.742 18.017 190 1HG GLN 41 HG2 GLN 41 -10.147 -32.145 20.170 191 2HG GLN 41 HG1 GLN 41 -9.327 -30.711 19.625 192 1HE2 GLN 41 HE21 GLN 41 -12.097 -28.855 20.789 193 2HE2 GLN 41 HE22 GLN 41 -10.387 -28.994 20.629 194 H ASP 42 HN ASP 42 -8.369 -31.142 15.345 195 HA ASP 42 HA ASP 42 -9.348 -33.210 13.432 196 1HB ASP 42 HB2 ASP 42 -10.150 -30.836 13.453 197 2HB ASP 42 HB1 ASP 42 -8.544 -30.272 13.153 198 H LYS 43 HN LYS 43 -6.600 -31.089 13.719 199 HA LYS 43 HA LYS 43 -4.796 -33.160 12.486 200 1HB LYS 43 HB2 LYS 43 -5.380 -31.215 10.996 201 2HB LYS 43 HB1 LYS 43 -4.647 -30.126 12.165 202 1HG LYS 43 HG2 LYS 43 -2.475 -31.233 11.894 203 2HG LYS 43 HG1 LYS 43 -3.134 -32.460 10.850 204 1HD LYS 43 HD2 LYS 43 -2.324 -31.039 9.205 205 2HD LYS 43 HD1 LYS 43 -3.884 -30.286 9.398 206 1HE LYS 43 HE2 LYS 43 -2.339 -28.467 9.515 207 2HE LYS 43 HE1 LYS 43 -2.729 -28.799 11.193 208 1HZ LYS 43 HZ3 LYS 43 -0.617 -30.504 10.463 209 2HZ LYS 43 HZ2 LYS 43 -0.170 -28.954 9.955 210 3HZ LYS 43 HZ1 LYS 43 -0.515 -29.326 11.570 211 HA PRO 44 HA PRO 44 -3.950 -32.546 17.097 212 1HB PRO 44 HB2 PRO 44 -2.483 -34.921 15.919 213 2HB PRO 44 HB1 PRO 44 -2.968 -34.665 17.601 214 1HG PRO 44 HG2 PRO 44 -4.684 -35.981 16.023 215 2HG PRO 44 HG1 PRO 44 -5.331 -34.688 17.039 216 1HD PRO 44 HD1 PRO 44 -4.869 -34.670 14.068 217 2HD PRO 44 HD2 PRO 44 -6.049 -33.769 15.047 218 H GLU 45 HN GLU 45 -1.270 -32.831 14.686 219 HA GLU 45 HA GLU 45 0.537 -31.605 16.572 220 1HB GLU 45 HB2 GLU 45 2.113 -31.976 14.616 221 2HB GLU 45 HB1 GLU 45 1.191 -33.355 15.218 222 1HG GLU 45 HG2 GLU 45 1.426 -33.358 12.752 223 2HG GLU 45 HG1 GLU 45 -0.209 -33.532 13.296 224 H ALA 46 HN ALA 46 -1.722 -30.152 14.634 225 HA ALA 46 HA ALA 46 -0.539 -28.041 13.337 226 1HB ALA 46 HB2 ALA 46 -3.009 -28.532 13.335 227 2HB ALA 46 HB1 ALA 46 -3.175 -27.916 14.946 228 3HB ALA 46 HB3 ALA 46 -2.700 -26.845 13.656 229 H GLN 47 HN GLN 47 1.358 -27.023 14.276 230 HA GLN 47 HA GLN 47 1.167 -25.758 16.913 231 1HB GLN 47 HB2 GLN 47 3.250 -25.170 14.716 232 2HB GLN 47 HB1 GLN 47 3.406 -24.885 16.430 233 1HG GLN 47 HG2 GLN 47 3.191 -27.681 15.213 234 2HG GLN 47 HG1 GLN 47 4.680 -26.919 15.749 235 1HE2 GLN 47 HE21 GLN 47 2.427 -28.741 18.433 236 2HE2 GLN 47 HE22 GLN 47 2.115 -28.835 16.751 237 H ILE 48 HN ILE 48 -0.790 -24.752 16.423 238 HA ILE 48 HA ILE 48 -1.180 -22.788 14.367 239 HB ILE 48 HB ILE 48 -2.623 -23.532 16.724 240 1HG1 ILE 48 HG12 ILE 48 -3.346 -24.044 13.881 241 2HG1 ILE 48 HG11 ILE 48 -2.156 -25.082 14.615 242 1HG2 ILE 48 HG23 ILE 48 -3.405 -21.711 14.398 243 2HG2 ILE 48 HG22 ILE 48 -4.588 -22.346 15.518 244 3HG2 ILE 48 HG21 ILE 48 -3.353 -21.229 16.067 245 1HD1 ILE 48 HD3 ILE 48 -3.878 -25.625 16.380 246 2HD1 ILE 48 HD2 ILE 48 -5.015 -24.608 15.445 247 3HD1 ILE 48 HD1 ILE 48 -4.305 -26.043 14.727 248 H ILE 49 HN ILE 49 -1.025 -20.783 14.212 249 HA ILE 49 HA ILE 49 -0.241 -19.057 16.519 250 HB ILE 49 HB ILE 49 0.693 -19.377 13.852 251 1HG1 ILE 49 HG12 ILE 49 2.922 -18.697 14.982 252 2HG1 ILE 49 HG11 ILE 49 2.015 -18.647 16.466 253 1HG2 ILE 49 HG23 ILE 49 0.778 -16.680 15.215 254 2HG2 ILE 49 HG22 ILE 49 1.753 -17.042 13.809 255 3HG2 ILE 49 HG21 ILE 49 0.005 -17.015 13.677 256 1HD1 ILE 49 HD3 ILE 49 2.202 -21.172 14.743 257 2HD1 ILE 49 HD2 ILE 49 3.175 -20.836 16.169 258 3HD1 ILE 49 HD1 ILE 49 1.457 -21.024 16.322 259 H VAL 50 HN VAL 50 -0.784 -16.965 16.418 260 HA VAL 50 HA VAL 50 -3.359 -16.211 15.175 261 HB VAL 50 HB VAL 50 -3.239 -16.298 17.549 262 1HG1 VAL 50 HG12 VAL 50 -0.957 -14.319 17.435 263 2HG1 VAL 50 HG11 VAL 50 -1.814 -14.812 18.883 264 3HG1 VAL 50 HG13 VAL 50 -0.876 -15.978 17.988 265 1HG2 VAL 50 HG21 VAL 50 -4.521 -14.299 16.442 266 2HG2 VAL 50 HG23 VAL 50 -3.941 -13.917 18.061 267 3HG2 VAL 50 HG22 VAL 50 -3.074 -13.349 16.650 268 H LEU 51 HN LEU 51 -3.505 -14.701 13.688 269 HA LEU 51 HA LEU 51 -1.564 -12.445 13.556 270 1HB LEU 51 HB2 LEU 51 -2.700 -13.988 11.239 271 2HB LEU 51 HB1 LEU 51 -1.821 -12.506 11.018 272 HG LEU 51 HG LEU 51 0.052 -14.073 12.309 273 1HD1 LEU 51 HD12 LEU 51 -1.682 -15.944 10.614 274 2HD1 LEU 51 HD11 LEU 51 -0.125 -16.363 11.310 275 3HD1 LEU 51 HD13 LEU 51 -1.498 -16.018 12.352 276 1HD2 LEU 51 HD22 LEU 51 -0.538 -13.827 9.288 277 2HD2 LEU 51 HD21 LEU 51 0.417 -12.793 10.268 278 3HD2 LEU 51 HD23 LEU 51 0.979 -14.407 9.974 279 HA PRO 52 HA PRO 52 -5.528 -10.354 12.988 280 1HB PRO 52 HB2 PRO 52 -4.830 -7.880 12.194 281 2HB PRO 52 HB1 PRO 52 -4.327 -8.477 13.776 282 1HG PRO 52 HG2 PRO 52 -2.704 -8.494 11.170 283 2HG PRO 52 HG1 PRO 52 -2.207 -7.883 12.742 284 1HD PRO 52 HD1 PRO 52 -1.545 -10.456 11.928 285 2HD PRO 52 HD2 PRO 52 -1.838 -10.057 13.634 286 H VAL 53 HN VAL 53 -6.944 -10.532 11.450 287 HA VAL 53 HA VAL 53 -6.865 -11.668 8.964 288 HB VAL 53 HB VAL 53 -8.663 -9.621 9.842 289 1HG1 VAL 53 HG12 VAL 53 -8.897 -11.637 7.521 290 2HG1 VAL 53 HG11 VAL 53 -10.229 -10.615 8.063 291 3HG1 VAL 53 HG13 VAL 53 -8.824 -9.892 7.301 292 1HG2 VAL 53 HG23 VAL 53 -8.527 -12.625 9.813 293 2HG2 VAL 53 HG22 VAL 53 -8.566 -11.640 11.225 294 3HG2 VAL 53 HG21 VAL 53 -10.017 -11.779 10.262 295 H GLY 54 HN GLY 54 -6.307 -11.417 7.180 296 1HA GLY 54 HA2 GLY 54 -6.087 -10.077 5.040 297 2HA GLY 54 HA1 GLY 54 -5.611 -8.688 6.028 298 H THR 55 HN THR 55 -3.827 -9.966 7.791 299 HA THR 55 HA THR 55 -1.339 -9.883 6.669 300 HB THR 55 HB THR 55 -2.617 -11.222 8.983 301 HG1 THR 55 HG1 THR 55 -2.829 -9.304 9.408 302 1HG2 THR 55 HG23 THR 55 0.103 -10.253 8.515 303 2HG2 THR 55 HG22 THR 55 -0.613 -10.978 9.973 304 3HG2 THR 55 HG21 THR 55 -0.414 -11.966 8.507 305 H ILE 56 HN ILE 56 -0.184 -11.153 5.433 306 HA ILE 56 HA ILE 56 -1.318 -12.940 3.695 307 HB ILE 56 HB ILE 56 1.620 -12.605 4.412 308 1HG1 ILE 56 HG12 ILE 56 1.626 -11.185 2.271 309 2HG1 ILE 56 HG11 ILE 56 -0.120 -11.322 2.266 310 1HG2 ILE 56 HG21 ILE 56 1.196 -14.687 3.080 311 2HG2 ILE 56 HG23 ILE 56 0.301 -13.748 1.891 312 3HG2 ILE 56 HG22 ILE 56 2.016 -13.488 2.099 313 1HD1 ILE 56 HD3 ILE 56 1.387 -10.011 4.535 314 2HD1 ILE 56 HD2 ILE 56 0.712 -9.163 3.156 315 3HD1 ILE 56 HD1 ILE 56 -0.365 -9.992 4.238 316 H VAL 57 HN VAL 57 -2.121 -14.691 3.915 317 HA VAL 57 HA VAL 57 -1.052 -16.952 5.503 318 HB VAL 57 HB VAL 57 -3.596 -17.534 4.391 319 1HG1 VAL 57 HG13 VAL 57 -2.322 -17.469 7.067 320 2HG1 VAL 57 HG12 VAL 57 -4.013 -17.994 6.843 321 3HG1 VAL 57 HG11 VAL 57 -2.710 -18.824 6.030 322 1HG2 VAL 57 HG23 VAL 57 -3.259 -15.128 6.204 323 2HG2 VAL 57 HG22 VAL 57 -4.018 -15.202 4.596 324 3HG2 VAL 57 HG21 VAL 57 -4.787 -15.939 6.053 325 H THR 58 HN THR 58 -2.900 -16.980 2.607 326 HA THR 58 HA THR 58 -1.599 -19.437 1.877 327 HB THR 58 HB THR 58 -3.220 -18.158 -0.036 328 HG1 THR 58 HG1 THR 58 -5.144 -18.410 1.089 329 1HG2 THR 58 HG23 THR 58 -2.518 -20.505 0.233 330 2HG2 THR 58 HG22 THR 58 -3.357 -20.593 1.759 331 3HG2 THR 58 HG21 THR 58 -4.314 -20.500 0.259 332 H MET 59 HN MET 59 0.121 -18.509 1.960 333 HA MET 59 HA MET 59 1.634 -17.391 -0.357 334 1HB MET 59 HB2 MET 59 1.547 -16.402 2.031 335 2HB MET 59 HB1 MET 59 2.536 -17.732 2.526 336 1HG MET 59 HG2 MET 59 3.167 -15.545 0.487 337 2HG MET 59 HG1 MET 59 3.940 -15.791 2.018 338 1HE MET 59 HE1 MET 59 3.422 -17.304 -1.561 339 2HE MET 59 HE3 MET 59 4.524 -15.905 -1.646 340 3HE MET 59 HE2 MET 59 5.101 -17.532 -1.982 341 H GLU 60 HN GLU 60 3.593 -18.680 1.422 342 HA GLU 60 HA GLU 60 4.270 -21.203 0.179 343 1HB GLU 60 HB2 GLU 60 6.029 -21.078 1.798 344 2HB GLU 60 HB1 GLU 60 5.842 -19.495 1.151 345 1HG GLU 60 HG2 GLU 60 5.457 -18.648 3.232 346 2HG GLU 60 HG1 GLU 60 4.072 -19.700 3.489 347 OH TYR 61 OH TYR 61 -0.898 -28.640 3.248 348 H TYR 61 HN TYR 61 4.829 -22.447 2.664 349 HA TYR 61 HA TYR 61 2.058 -23.228 3.440 350 1HB TYR 61 HB2 TYR 61 3.348 -24.703 1.655 351 2HB TYR 61 HB1 TYR 61 4.169 -25.372 3.034 352 HD1 TYR 61 HD1 TYR 61 0.915 -24.629 4.237 353 HD2 TYR 61 HD2 TYR 61 3.099 -27.194 1.701 354 HE1 TYR 61 HE1 TYR 61 -0.876 -26.312 4.406 355 HE2 TYR 61 HE2 TYR 61 1.293 -28.901 1.874 356 HH TYR 61 HH TYR 61 -1.366 -28.644 2.408 357 NH1 ARG 62 NH1 ARG 62 6.683 -23.786 8.962 358 NH2 ARG 62 NH2 ARG 62 6.026 -25.006 7.218 359 H ARG 62 HN ARG 62 2.142 -22.253 5.607 360 HA ARG 62 HA ARG 62 4.112 -23.683 7.338 361 1HB ARG 62 HB2 ARG 62 2.926 -21.059 7.403 362 2HB ARG 62 HB1 ARG 62 2.419 -21.900 8.854 363 1HG ARG 62 HG2 ARG 62 4.626 -20.746 9.256 364 2HG ARG 62 HG1 ARG 62 4.843 -22.483 9.334 365 1HD ARG 62 HD2 ARG 62 5.123 -21.083 6.679 366 2HD ARG 62 HD1 ARG 62 6.462 -20.886 7.796 367 HE ARG 62 HE ARG 62 6.570 -22.876 6.100 368 1HH1 ARG 62 HH11 ARG 62 6.912 -22.851 9.216 369 2HH1 ARG 62 HH12 ARG 62 6.714 -24.596 9.564 370 1HH2 ARG 62 HH21 ARG 62 5.701 -24.970 6.279 371 2HH2 ARG 62 HH22 ARG 62 6.126 -25.848 7.745 372 H ILE 63 HN ILE 63 3.094 -25.284 6.459 373 HA ILE 63 HA ILE 63 0.594 -26.333 7.123 374 HB ILE 63 HB ILE 63 2.003 -27.098 5.237 375 1HG1 ILE 63 HG12 ILE 63 1.828 -29.436 5.394 376 2HG1 ILE 63 HG11 ILE 63 1.865 -29.376 7.171 377 1HG2 ILE 63 HG21 ILE 63 4.190 -26.826 6.479 378 2HG2 ILE 63 HG23 ILE 63 3.794 -28.225 7.450 379 3HG2 ILE 63 HG22 ILE 63 4.058 -28.403 5.727 380 1HD1 ILE 63 HD1 ILE 63 -0.483 -28.429 5.536 381 2HD1 ILE 63 HD3 ILE 63 -0.352 -29.961 6.354 382 3HD1 ILE 63 HD2 ILE 63 -0.318 -28.501 7.295 383 H ASP 64 HN ASP 64 3.391 -26.239 8.951 384 HA ASP 64 HA ASP 64 2.407 -28.223 10.883 385 1HB ASP 64 HB2 ASP 64 4.663 -27.458 11.966 386 2HB ASP 64 HB1 ASP 64 4.785 -28.244 10.405 387 NH1 ARG 65 NH1 ARG 65 4.312 -20.823 13.494 388 NH2 ARG 65 NH2 ARG 65 4.912 -22.771 12.609 389 H ARG 65 HN ARG 65 0.987 -25.733 10.113 390 HA ARG 65 HA ARG 65 0.243 -24.739 12.750 391 1HB ARG 65 HB2 ARG 65 2.202 -23.616 12.230 392 2HB ARG 65 HB1 ARG 65 1.642 -23.279 10.603 393 1HG ARG 65 HG2 ARG 65 -0.050 -21.672 11.591 394 2HG ARG 65 HG1 ARG 65 0.617 -21.975 13.181 395 1HD ARG 65 HD2 ARG 65 1.706 -20.333 10.955 396 2HD ARG 65 HD1 ARG 65 2.020 -20.168 12.658 397 HE ARG 65 HE ARG 65 3.489 -22.042 10.814 398 1HH1 ARG 65 HH11 ARG 65 3.733 -20.015 13.494 399 2HH1 ARG 65 HH12 ARG 65 5.009 -20.945 14.191 400 1HH2 ARG 65 HH21 ARG 65 4.837 -23.509 11.927 401 2HH2 ARG 65 HH22 ARG 65 5.603 -22.868 13.321 402 H VAL 66 HN VAL 66 -1.998 -24.269 12.831 403 HA VAL 66 HA VAL 66 -3.266 -23.644 10.176 404 HB VAL 66 HB VAL 66 -4.758 -24.203 12.711 405 1HG1 VAL 66 HG11 VAL 66 -5.963 -22.998 10.785 406 2HG1 VAL 66 HG13 VAL 66 -5.419 -24.366 9.764 407 3HG1 VAL 66 HG12 VAL 66 -6.505 -24.669 11.151 408 1HG2 VAL 66 HG21 VAL 66 -4.262 -25.902 10.329 409 2HG2 VAL 66 HG23 VAL 66 -3.630 -26.308 11.941 410 3HG2 VAL 66 HG22 VAL 66 -5.404 -26.147 11.682 411 NH1 ARG 67 NH2 ARG 67 0.662 -17.916 6.491 412 NH2 ARG 67 NH1 ARG 67 0.371 -16.192 7.903 413 H ARG 67 HN ARG 67 -1.986 -21.642 10.537 414 HA ARG 67 HA ARG 67 -2.372 -19.726 12.469 415 1HB ARG 67 HB2 ARG 67 -1.926 -18.058 10.800 416 2HB ARG 67 HB1 ARG 67 -0.848 -19.442 10.721 417 1HG ARG 67 HG2 ARG 67 -2.761 -20.306 9.170 418 2HG ARG 67 HG1 ARG 67 -3.129 -18.639 8.967 419 1HD ARG 67 HD2 ARG 67 -0.509 -20.271 8.424 420 2HD ARG 67 HD1 ARG 67 -1.338 -19.272 7.277 421 HE ARG 67 HE ARG 67 0.160 -17.994 9.477 422 1HH1 ARG 67 HH22 ARG 67 0.600 -18.918 6.346 423 2HH1 ARG 67 HH21 ARG 67 0.985 -17.333 5.745 424 1HH2 ARG 67 HH12 ARG 67 0.076 -15.872 8.797 425 2HH2 ARG 67 HH11 ARG 67 0.708 -15.553 7.213 426 H LEU 68 HN LEU 68 -3.671 -18.424 13.061 427 HA LEU 68 HA LEU 68 -6.518 -18.438 12.334 428 1HB LEU 68 HB2 LEU 68 -5.077 -17.544 14.831 429 2HB LEU 68 HB1 LEU 68 -6.815 -17.696 14.683 430 HG LEU 68 HG LEU 68 -4.912 -20.080 14.292 431 1HD1 LEU 68 HD12 LEU 68 -6.340 -19.188 16.818 432 2HD1 LEU 68 HD11 LEU 68 -5.434 -20.662 16.635 433 3HD1 LEU 68 HD13 LEU 68 -4.594 -19.118 16.563 434 1HD2 LEU 68 HD23 LEU 68 -7.297 -20.282 13.550 435 2HD2 LEU 68 HD22 LEU 68 -6.911 -21.375 14.849 436 3HD2 LEU 68 HD21 LEU 68 -7.807 -19.901 15.172 437 H PHE 69 HN PHE 69 -7.166 -16.917 11.153 438 HA PHE 69 HA PHE 69 -6.065 -14.215 11.414 439 1HB PHE 69 HB2 PHE 69 -7.625 -15.830 9.234 440 2HB PHE 69 HB1 PHE 69 -7.536 -14.037 9.043 441 HD1 PHE 69 HD2 PHE 69 -5.756 -12.946 9.623 442 HD2 PHE 69 HD1 PHE 69 -5.447 -17.101 8.832 443 HE1 PHE 69 HE2 PHE 69 -3.482 -12.686 9.343 444 HE2 PHE 69 HE1 PHE 69 -3.178 -16.843 8.530 445 HZ PHE 69 HZ PHE 69 -2.029 -14.771 8.642 446 H VAL 70 HN VAL 70 -6.530 -13.302 12.922 447 HA VAL 70 HA VAL 70 -9.371 -13.264 13.940 448 HB VAL 70 HB VAL 70 -8.599 -13.270 16.145 449 1HG1 VAL 70 HG12 VAL 70 -7.936 -15.424 15.132 450 2HG1 VAL 70 HG11 VAL 70 -6.387 -14.736 14.697 451 3HG1 VAL 70 HG13 VAL 70 -6.839 -14.888 16.384 452 1HG2 VAL 70 HG23 VAL 70 -5.807 -12.444 15.247 453 2HG2 VAL 70 HG22 VAL 70 -6.941 -11.378 16.067 454 3HG2 VAL 70 HG21 VAL 70 -6.326 -12.808 16.885 455 H ASP 71 HN ASP 71 -9.728 -11.314 15.488 456 HA ASP 71 HA ASP 71 -9.118 -8.918 13.837 457 1HB ASP 71 HB2 ASP 71 -11.343 -8.101 14.446 458 2HB ASP 71 HB1 ASP 71 -11.474 -9.727 14.146 459 H LYS 72 HN LYS 72 -10.396 -7.542 15.849 460 HA LYS 72 HA LYS 72 -8.042 -6.578 17.290 461 1HB LYS 72 HB2 LYS 72 -10.908 -5.533 17.202 462 2HB LYS 72 HB1 LYS 72 -9.555 -4.595 17.823 463 1HG LYS 72 HG2 LYS 72 -8.578 -4.310 15.649 464 2HG LYS 72 HG1 LYS 72 -9.530 -5.578 14.926 465 1HD LYS 72 HD2 LYS 72 -10.784 -3.032 16.065 466 2HD LYS 72 HD1 LYS 72 -10.239 -3.128 14.399 467 1HE LYS 72 HE2 LYS 72 -11.808 -5.079 14.044 468 2HE LYS 72 HE1 LYS 72 -12.393 -4.887 15.689 469 1HZ LYS 72 HZ1 LYS 72 -12.427 -2.346 14.459 470 2HZ LYS 72 HZ3 LYS 72 -13.188 -3.389 13.389 471 3HZ LYS 72 HZ2 LYS 72 -13.767 -3.229 14.965 472 H LEU 73 HN LEU 73 -10.169 -8.575 17.850 473 HA LEU 73 HA LEU 73 -9.837 -8.742 20.813 474 1HB LEU 73 HB2 LEU 73 -12.263 -9.112 19.122 475 2HB LEU 73 HB1 LEU 73 -12.292 -9.414 20.862 476 HG LEU 73 HG LEU 73 -11.730 -6.829 19.416 477 1HD1 LEU 73 HD12 LEU 73 -14.103 -7.745 21.121 478 2HD1 LEU 73 HD11 LEU 73 -13.954 -6.115 20.470 479 3HD1 LEU 73 HD13 LEU 73 -14.125 -7.489 19.386 480 1HD2 LEU 73 HD23 LEU 73 -11.942 -7.410 22.438 481 2HD2 LEU 73 HD22 LEU 73 -10.502 -6.870 21.590 482 3HD2 LEU 73 HD21 LEU 73 -11.860 -5.789 21.775 483 H ASP 74 HN ASP 74 -8.303 -10.161 18.972 484 HA ASP 74 HA ASP 74 -7.806 -12.169 18.099 485 1HB ASP 74 HB2 ASP 74 -6.829 -13.140 19.959 486 2HB ASP 74 HB1 ASP 74 -7.173 -11.587 20.634 487 H ASN 75 HN ASN 75 -10.606 -11.836 17.750 488 HA ASN 75 HA ASN 75 -11.588 -14.638 17.937 489 1HB ASN 75 HB2 ASN 75 -12.970 -11.959 17.725 490 2HB ASN 75 HB1 ASN 75 -13.869 -13.429 17.396 491 1HD2 ASN 75 HD22 ASN 75 -14.396 -12.034 20.349 492 2HD2 ASN 75 HD21 ASN 75 -12.703 -11.726 20.314 493 H ILE 76 HN ILE 76 -12.101 -15.705 16.213 494 HA ILE 76 HA ILE 76 -10.775 -15.176 13.772 495 HB ILE 76 HB ILE 76 -12.631 -17.317 14.621 496 1HG1 ILE 76 HG12 ILE 76 -9.780 -16.240 14.953 497 2HG1 ILE 76 HG11 ILE 76 -10.860 -16.982 16.137 498 1HG2 ILE 76 HG23 ILE 76 -10.682 -16.853 12.254 499 2HG2 ILE 76 HG22 ILE 76 -11.418 -18.442 12.645 500 3HG2 ILE 76 HG21 ILE 76 -12.406 -17.112 12.111 501 1HD1 ILE 76 HD2 ILE 76 -10.703 -19.029 15.273 502 2HD1 ILE 76 HD1 ILE 76 -9.534 -18.477 14.033 503 3HD1 ILE 76 HD3 ILE 76 -9.113 -18.418 15.763 504 H ALA 77 HN ALA 77 -11.277 -13.656 13.128 505 HA ALA 77 HA ALA 77 -13.649 -12.530 12.108 506 1HB ALA 77 HB2 ALA 77 -10.621 -12.137 12.267 507 2HB ALA 77 HB1 ALA 77 -11.677 -10.765 11.809 508 3HB ALA 77 HB3 ALA 77 -11.794 -11.563 13.380 509 H GLN 78 HN GLN 78 -10.985 -14.262 10.787 510 HA GLN 78 HA GLN 78 -12.443 -14.491 8.135 511 1HB GLN 78 HB2 GLN 78 -10.480 -13.200 7.691 512 2HB GLN 78 HB1 GLN 78 -9.506 -14.131 8.809 513 1HG GLN 78 HG2 GLN 78 -9.623 -16.092 7.136 514 2HG GLN 78 HG1 GLN 78 -10.551 -15.089 6.045 515 1HE2 GLN 78 HE22 GLN 78 -7.524 -13.243 5.129 516 2HE2 GLN 78 HE21 GLN 78 -9.151 -12.866 5.449 517 H VAL 79 HN VAL 79 -12.156 -16.881 7.177 518 HA VAL 79 HA VAL 79 -12.115 -18.609 9.516 519 HB VAL 79 HB VAL 79 -12.400 -19.262 6.538 520 1HG1 VAL 79 HG11 VAL 79 -12.668 -21.042 9.027 521 2HG1 VAL 79 HG13 VAL 79 -12.953 -21.580 7.374 522 3HG1 VAL 79 HG12 VAL 79 -11.313 -21.246 7.893 523 1HG2 VAL 79 HG22 VAL 79 -13.974 -19.457 9.073 524 2HG2 VAL 79 HG21 VAL 79 -14.266 -18.161 7.919 525 3HG2 VAL 79 HG23 VAL 79 -14.697 -19.822 7.503 526 HA PRO 80 HA PRO 80 -7.682 -19.367 9.321 527 1HB PRO 80 HB2 PRO 80 -8.138 -21.621 11.231 528 2HB PRO 80 HB1 PRO 80 -7.219 -20.142 11.440 529 1HG PRO 80 HG2 PRO 80 -9.577 -20.313 12.736 530 2HG PRO 80 HG1 PRO 80 -9.226 -18.834 11.856 531 1HD PRO 80 HD1 PRO 80 -10.731 -21.222 10.620 532 2HD PRO 80 HD2 PRO 80 -11.438 -19.629 10.881 533 NH1 ARG 81 NH2 ARG 81 -7.394 -17.921 6.381 534 NH2 ARG 81 NH1 ARG 81 -6.208 -17.429 4.599 535 H ARG 81 HN ARG 81 -6.124 -21.229 8.845 536 HA ARG 81 HA ARG 81 -7.233 -23.567 7.523 537 1HB ARG 81 HB2 ARG 81 -6.949 -22.977 5.241 538 2HB ARG 81 HB1 ARG 81 -7.799 -21.628 5.950 539 1HG ARG 81 HG2 ARG 81 -5.512 -20.711 6.523 540 2HG ARG 81 HG1 ARG 81 -4.866 -21.920 5.443 541 1HD ARG 81 HD2 ARG 81 -5.129 -19.833 4.121 542 2HD ARG 81 HD1 ARG 81 -6.362 -20.995 3.620 543 HE ARG 81 HE ARG 81 -8.046 -19.759 4.912 544 1HH1 ARG 81 HH22 ARG 81 -7.908 -18.605 6.895 545 2HH1 ARG 81 HH21 ARG 81 -7.279 -16.992 6.725 546 1HH2 ARG 81 HH12 ARG 81 -5.769 -17.718 3.755 547 2HH2 ARG 81 HH11 ARG 81 -6.152 -16.504 4.971 548 H VAL 82 HN VAL 82 -5.508 -24.734 6.453 549 HA VAL 82 HA VAL 82 -3.142 -24.593 8.169 550 HB VAL 82 HB VAL 82 -3.607 -26.380 5.780 551 1HG1 VAL 82 HG13 VAL 82 -1.847 -26.433 8.199 552 2HG1 VAL 82 HG12 VAL 82 -2.002 -27.696 6.946 553 3HG1 VAL 82 HG11 VAL 82 -1.312 -26.104 6.534 554 1HG2 VAL 82 HG22 VAL 82 -4.086 -26.960 8.753 555 2HG2 VAL 82 HG21 VAL 82 -5.331 -26.723 7.553 556 3HG2 VAL 82 HG23 VAL 82 -4.262 -28.112 7.446 557 H GLY 83 HN GLY 83 -1.227 -23.709 7.632 558 1HA GLY 83 HA1 GLY 83 0.500 -23.429 6.032 559 2HA GLY 83 GLY 83 -0.675 -23.162 4.767 Start of MODEL 15 Raw file had 559 H/Q atoms Start of MODEL 15 1 H LEU 20 HN LEU 20 -7.432 -33.887 3.396 2 HA LEU 20 HA LEU 20 -9.748 -33.919 2.860 3 1HB LEU 20 HB2 LEU 20 -9.844 -35.896 4.351 4 2HB LEU 20 HB1 LEU 20 -9.883 -34.877 5.765 5 HG LEU 20 HG LEU 20 -12.101 -33.877 4.848 6 1HD1 LEU 20 HD13 LEU 20 -11.891 -36.296 3.019 7 2HD1 LEU 20 HD12 LEU 20 -13.286 -35.244 3.182 8 3HD1 LEU 20 HD11 LEU 20 -11.803 -34.623 2.490 9 1HD2 LEU 20 HD22 LEU 20 -12.008 -36.838 5.506 10 2HD2 LEU 20 HD21 LEU 20 -12.043 -35.522 6.670 11 3HD2 LEU 20 HD23 LEU 20 -13.423 -35.803 5.623 12 H LYS 21 HN LYS 21 -9.145 -32.815 6.045 13 HA LYS 21 HA LYS 21 -10.843 -30.399 5.655 14 1HB LYS 21 HB2 LYS 21 -11.758 -31.853 7.414 15 2HB LYS 21 HB1 LYS 21 -10.183 -31.985 8.185 16 1HG LYS 21 HG2 LYS 21 -10.196 -29.567 8.724 17 2HG LYS 21 HG1 LYS 21 -11.703 -29.337 7.854 18 1HD LYS 21 HD2 LYS 21 -12.884 -30.734 9.519 19 2HD LYS 21 HD1 LYS 21 -11.359 -31.164 10.280 20 1HE LYS 21 HE2 LYS 21 -10.978 -28.669 10.700 21 2HE LYS 21 HE1 LYS 21 -12.608 -28.373 10.112 22 1HZ LYS 21 HZ3 LYS 21 -12.682 -30.485 11.993 23 2HZ LYS 21 HZ2 LYS 21 -11.853 -29.243 12.696 24 3HZ LYS 21 HZ1 LYS 21 -13.388 -28.895 12.079 25 H THR 22 HN THR 22 -9.073 -29.293 4.695 26 HA THR 22 HA THR 22 -6.790 -28.602 6.567 27 HB THR 22 HB THR 22 -5.960 -27.285 4.518 28 HG1 THR 22 HG1 THR 22 -7.995 -26.967 3.622 29 1HG2 THR 22 HG22 THR 22 -6.787 -30.134 3.783 30 2HG2 THR 22 HG21 THR 22 -5.515 -29.197 3.025 31 3HG2 THR 22 HG23 THR 22 -5.305 -29.784 4.670 32 H GLU 23 HN GLU 23 -9.717 -27.926 6.905 33 HA GLU 23 HA GLU 23 -9.412 -24.990 7.217 34 1HB GLU 23 HB2 GLU 23 -11.577 -24.560 6.310 35 2HB GLU 23 HB1 GLU 23 -10.674 -25.502 5.148 36 1HG GLU 23 HG2 GLU 23 -11.997 -27.522 5.578 37 2HG GLU 23 HG1 GLU 23 -12.587 -26.936 7.120 38 CH2 TRP 24 CH2 TRP 24 -6.933 -28.170 10.205 39 H TRP 24 HN TRP 24 -10.738 -24.045 8.763 40 HA TRP 24 HA TRP 24 -12.207 -25.883 10.600 41 1HB TRP 24 HB2 TRP 24 -9.859 -24.087 11.299 42 2HB TRP 24 HB1 TRP 24 -11.046 -24.439 12.475 43 HD1 TRP 24 HD1 TRP 24 -11.216 -26.465 13.476 44 HE1 TRP 24 HE1 TRP 24 -9.739 -28.661 13.357 45 HE3 TRP 24 HE3 TRP 24 -8.461 -25.239 9.675 46 HZ2 TRP 24 HZ2 TRP 24 -7.456 -29.590 11.713 47 HZ3 TRP 24 HZ3 TRP 24 -6.649 -26.564 8.815 48 HH2 TRP 24 HH2 TRP 24 -6.124 -28.770 9.815 49 HA PRO 25 HA PRO 25 -14.909 -22.395 10.385 50 1HB PRO 25 HB2 PRO 25 -17.131 -23.677 9.518 51 2HB PRO 25 HB1 PRO 25 -15.757 -23.287 8.459 52 1HG PRO 25 HG2 PRO 25 -16.360 -25.983 9.699 53 2HG PRO 25 HG1 PRO 25 -15.964 -25.526 8.025 54 1HD PRO 25 HD1 PRO 25 -14.050 -26.363 9.832 55 2HD PRO 25 HD2 PRO 25 -13.702 -25.314 8.425 56 H GLU 26 HN GLU 26 -15.100 -25.441 12.163 57 HA GLU 26 HA GLU 26 -17.301 -24.984 13.869 58 1HB GLU 26 HB2 GLU 26 -14.618 -26.058 14.603 59 2HB GLU 26 HB1 GLU 26 -16.058 -26.406 15.533 60 1HG GLU 26 HG2 GLU 26 -15.633 -28.384 14.228 61 2HG GLU 26 HG1 GLU 26 -16.761 -27.553 13.173 62 H LEU 27 HN LEU 27 -14.217 -23.569 13.783 63 HA LEU 27 HA LEU 27 -14.116 -22.278 16.336 64 1HB LEU 27 HB2 LEU 27 -12.591 -21.908 13.778 65 2HB LEU 27 HB1 LEU 27 -12.084 -21.312 15.341 66 HG LEU 27 HG LEU 27 -11.584 -23.836 15.937 67 1HD1 LEU 27 HD11 LEU 27 -12.725 -24.685 13.484 68 2HD1 LEU 27 HD13 LEU 27 -11.798 -25.457 14.783 69 3HD1 LEU 27 HD12 LEU 27 -13.318 -24.795 15.145 70 1HD2 LEU 27 HD22 LEU 27 -10.663 -22.712 13.279 71 2HD2 LEU 27 HD21 LEU 27 -10.046 -22.235 14.833 72 3HD2 LEU 27 HD23 LEU 27 -9.828 -23.868 14.270 73 H VAL 28 HN VAL 28 -15.337 -21.321 13.137 74 HA VAL 28 HA VAL 28 -14.948 -18.532 13.290 75 HB VAL 28 HB VAL 28 -17.396 -20.023 12.231 76 1HG1 VAL 28 HG13 VAL 28 -16.308 -17.210 11.601 77 2HG1 VAL 28 HG12 VAL 28 -17.669 -17.975 10.799 78 3HG1 VAL 28 HG11 VAL 28 -17.793 -17.511 12.483 79 1HG2 VAL 28 HG23 VAL 28 -15.143 -20.648 11.179 80 2HG2 VAL 28 HG22 VAL 28 -16.198 -19.779 10.084 81 3HG2 VAL 28 HG21 VAL 28 -14.863 -18.958 10.880 82 H GLY 29 HN GLY 29 -15.793 -16.854 14.277 83 1HA GLY 29 HA2 GLY 29 -17.284 -15.618 15.715 84 2HA GLY 29 HA1 GLY 29 -18.113 -17.115 16.123 85 H LYS 30 HN LYS 30 -14.862 -17.714 16.372 86 HA LYS 30 HA LYS 30 -14.726 -16.971 19.245 87 1HB LYS 30 HB2 LYS 30 -13.758 -19.387 17.832 88 2HB LYS 30 HB1 LYS 30 -13.486 -19.129 19.540 89 1HG LYS 30 HG2 LYS 30 -15.847 -19.052 20.103 90 2HG LYS 30 HG1 LYS 30 -16.360 -19.028 18.440 91 1HD LYS 30 HD2 LYS 30 -14.843 -21.464 18.763 92 2HD LYS 30 HD1 LYS 30 -15.786 -21.300 20.230 93 1HE LYS 30 HE2 LYS 30 -17.095 -22.504 18.467 94 2HE LYS 30 HE1 LYS 30 -17.856 -20.963 18.874 95 1HZ LYS 30 HZ1 LYS 30 -15.867 -20.450 16.983 96 2HZ LYS 30 HZ3 LYS 30 -16.740 -21.779 16.409 97 3HZ LYS 30 HZ2 LYS 30 -17.506 -20.294 16.657 98 H SER 31 HN SER 31 -12.446 -17.110 20.207 99 HA SER 31 HA SER 31 -10.287 -15.966 18.406 100 1HB SER 31 HB2 SER 31 -9.380 -16.038 21.021 101 2HB SER 31 HB1 SER 31 -10.304 -14.668 20.460 102 HG SER 31 HG1 SER 31 -11.112 -16.500 22.316 103 H VAL 32 HN VAL 32 -8.267 -16.225 19.187 104 HA VAL 32 HA VAL 32 -7.878 -18.426 17.635 105 HB VAL 32 HB VAL 32 -6.758 -16.256 18.114 106 1HG1 VAL 32 HG12 VAL 32 -6.249 -16.600 20.537 107 2HG1 VAL 32 HG11 VAL 32 -5.163 -17.928 20.177 108 3HG1 VAL 32 HG13 VAL 32 -4.759 -16.300 19.688 109 1HG2 VAL 32 HG22 VAL 32 -5.768 -17.801 16.444 110 2HG2 VAL 32 HG21 VAL 32 -4.453 -17.045 17.305 111 3HG2 VAL 32 HG23 VAL 32 -4.898 -18.692 17.679 112 H GLU 33 HN GLU 33 -7.578 -18.229 21.144 113 HA GLU 33 HA GLU 33 -6.289 -20.798 21.447 114 1HB GLU 33 HB2 GLU 33 -7.950 -19.083 23.354 115 2HB GLU 33 HB1 GLU 33 -7.006 -20.457 23.891 116 1HG GLU 33 HG2 GLU 33 -5.951 -17.842 22.669 117 2HG GLU 33 HG1 GLU 33 -5.551 -18.495 24.236 118 H GLU 34 HN GLU 34 -9.619 -19.918 21.674 119 HA GLU 34 HA GLU 34 -10.677 -22.595 22.008 120 1HB GLU 34 HB2 GLU 34 -11.798 -20.002 20.948 121 2HB GLU 34 HB1 GLU 34 -12.754 -21.489 20.880 122 1HG GLU 34 HG2 GLU 34 -11.583 -20.282 23.478 123 2HG GLU 34 HG1 GLU 34 -13.275 -20.244 23.022 124 H ALA 35 HN ALA 35 -9.952 -20.644 19.035 125 HA ALA 35 HA ALA 35 -10.569 -22.633 17.175 126 1HB ALA 35 HB3 ALA 35 -8.289 -20.585 17.270 127 2HB ALA 35 HB2 ALA 35 -8.702 -21.430 15.812 128 3HB ALA 35 HB1 ALA 35 -9.865 -20.336 16.567 129 H LYS 36 HN LYS 36 -7.376 -22.081 18.607 130 HA LYS 36 HA LYS 36 -5.951 -24.166 17.529 131 1HB LYS 36 HB2 LYS 36 -5.888 -22.777 20.239 132 2HB LYS 36 HB1 LYS 36 -4.652 -23.919 19.742 133 1HG LYS 36 HG2 LYS 36 -3.989 -22.586 17.923 134 2HG LYS 36 HG1 LYS 36 -5.430 -21.627 17.884 135 1HD LYS 36 HD2 LYS 36 -3.522 -20.332 18.717 136 2HD LYS 36 HD1 LYS 36 -4.711 -20.487 19.990 137 1HE LYS 36 HE2 LYS 36 -3.404 -22.297 21.003 138 2HE LYS 36 HE1 LYS 36 -2.213 -22.197 19.699 139 1HZ LYS 36 HZ3 LYS 36 -2.739 -19.587 20.763 140 2HZ LYS 36 HZ2 LYS 36 -2.506 -20.582 22.002 141 3HZ LYS 36 HZ1 LYS 36 -1.256 -20.470 20.795 142 H LYS 37 HN LYS 37 -7.814 -24.043 20.339 143 HA LYS 37 HA LYS 37 -7.496 -26.499 21.376 144 1HB LYS 37 HB2 LYS 37 -8.700 -24.535 22.380 145 2HB LYS 37 HB1 LYS 37 -10.027 -24.808 21.295 146 1HG LYS 37 HG2 LYS 37 -10.267 -27.142 22.486 147 2HG LYS 37 HG1 LYS 37 -9.232 -26.419 23.719 148 1HD LYS 37 HD2 LYS 37 -10.731 -24.376 23.732 149 2HD LYS 37 HD1 LYS 37 -11.814 -25.198 22.636 150 1HE LYS 37 HE2 LYS 37 -12.431 -26.832 24.273 151 2HE LYS 37 HE1 LYS 37 -11.194 -26.274 25.405 152 1HZ LYS 37 HZ2 LYS 37 -12.643 -24.077 24.457 153 2HZ LYS 37 HZ1 LYS 37 -13.800 -25.132 24.980 154 3HZ LYS 37 HZ3 LYS 37 -12.593 -24.560 26.043 155 H VAL 38 HN VAL 38 -9.863 -25.465 19.033 156 HA VAL 38 HA VAL 38 -10.895 -28.180 18.526 157 HB VAL 38 HB VAL 38 -11.123 -25.753 16.739 158 1HG1 VAL 38 HG13 VAL 38 -11.513 -27.895 15.535 159 2HG1 VAL 38 HG12 VAL 38 -12.705 -28.393 16.728 160 3HG1 VAL 38 HG11 VAL 38 -13.033 -27.040 15.656 161 1HG2 VAL 38 HG23 VAL 38 -13.080 -26.702 18.843 162 2HG2 VAL 38 HG22 VAL 38 -12.169 -25.189 18.778 163 3HG2 VAL 38 HG21 VAL 38 -13.420 -25.506 17.587 164 H ILE 39 HN ILE 39 -8.873 -26.055 16.673 165 HA ILE 39 HA ILE 39 -8.449 -27.597 14.415 166 HB ILE 39 HB ILE 39 -6.429 -25.843 15.878 167 1HG1 ILE 39 HG12 ILE 39 -8.551 -25.452 13.755 168 2HG1 ILE 39 HG11 ILE 39 -8.437 -24.674 15.314 169 1HG2 ILE 39 HG22 ILE 39 -5.425 -27.339 14.151 170 2HG2 ILE 39 HG21 ILE 39 -6.584 -26.636 12.943 171 3HG2 ILE 39 HG23 ILE 39 -5.419 -25.625 13.740 172 1HD1 ILE 39 HD2 ILE 39 -6.505 -24.244 13.019 173 2HD1 ILE 39 HD1 ILE 39 -7.864 -23.169 13.513 174 3HD1 ILE 39 HD3 ILE 39 -6.467 -23.389 14.579 175 H LEU 40 HN LEU 40 -6.714 -27.673 17.348 176 HA LEU 40 HA LEU 40 -4.958 -29.794 16.663 177 1HB LEU 40 HB2 LEU 40 -5.990 -28.498 19.255 178 2HB LEU 40 HB1 LEU 40 -4.609 -29.566 19.223 179 HG LEU 40 HG LEU 40 -4.795 -27.023 17.497 180 1HD1 LEU 40 HD12 LEU 40 -3.169 -27.443 20.029 181 2HD1 LEU 40 HD11 LEU 40 -3.122 -26.036 18.975 182 3HD1 LEU 40 HD13 LEU 40 -4.581 -26.407 19.886 183 1HD2 LEU 40 HD21 LEU 40 -3.306 -28.814 16.605 184 2HD2 LEU 40 HD23 LEU 40 -2.447 -27.409 17.121 185 3HD2 LEU 40 HD22 LEU 40 -2.457 -28.834 18.137 186 H GLN 41 HN GLN 41 -8.284 -29.937 17.353 187 HA GLN 41 HA GLN 41 -8.165 -32.727 18.267 188 1HB GLN 41 HB2 GLN 41 -10.533 -31.222 17.030 189 2HB GLN 41 HB1 GLN 41 -10.635 -32.737 17.898 190 1HG GLN 41 HG2 GLN 41 -9.850 -30.032 19.033 191 2HG GLN 41 HG1 GLN 41 -11.300 -30.929 19.441 192 1HE2 GLN 41 HE22 GLN 41 -8.284 -31.317 21.811 193 2HE2 GLN 41 HE21 GLN 41 -8.715 -29.958 20.837 194 H ASP 42 HN ASP 42 -8.944 -31.061 15.422 195 HA ASP 42 HA ASP 42 -9.160 -33.330 13.608 196 1HB ASP 42 HB2 ASP 42 -8.616 -30.384 13.118 197 2HB ASP 42 HB1 ASP 42 -9.064 -31.522 11.835 198 H LYS 43 HN LYS 43 -6.704 -30.952 14.081 199 HA LYS 43 HA LYS 43 -4.605 -32.694 12.936 200 1HB LYS 43 HB2 LYS 43 -5.517 -30.745 11.571 201 2HB LYS 43 HB1 LYS 43 -4.796 -29.682 12.770 202 1HG LYS 43 HG2 LYS 43 -2.619 -30.612 12.383 203 2HG LYS 43 HG1 LYS 43 -3.254 -31.849 11.317 204 1HD LYS 43 HD2 LYS 43 -4.171 -29.952 9.823 205 2HD LYS 43 HD1 LYS 43 -3.233 -28.827 10.807 206 1HE LYS 43 HE2 LYS 43 -2.129 -31.231 9.315 207 2HE LYS 43 HE1 LYS 43 -2.013 -29.549 8.782 208 1HZ LYS 43 HZ2 LYS 43 -1.180 -29.763 11.502 209 2HZ LYS 43 HZ1 LYS 43 -0.408 -30.916 10.741 210 3HZ LYS 43 HZ3 LYS 43 -0.223 -29.300 10.211 211 HA PRO 44 HA PRO 44 -3.857 -32.103 17.570 212 1HB PRO 44 HB2 PRO 44 -2.266 -34.390 16.406 213 2HB PRO 44 HB1 PRO 44 -2.796 -34.155 18.077 214 1HG PRO 44 HG2 PRO 44 -4.420 -35.592 16.530 215 2HG PRO 44 HG1 PRO 44 -5.160 -34.260 17.422 216 1HD PRO 44 HD1 PRO 44 -4.401 -34.334 14.488 217 2HD PRO 44 HD2 PRO 44 -5.814 -33.611 15.292 218 H GLU 45 HN GLU 45 -1.264 -32.305 15.113 219 HA GLU 45 HA GLU 45 0.543 -30.948 16.916 220 1HB GLU 45 HB2 GLU 45 2.092 -31.512 14.974 221 2HB GLU 45 HB1 GLU 45 1.211 -32.790 15.828 222 1HG GLU 45 HG2 GLU 45 1.363 -33.130 13.319 223 2HG GLU 45 HG1 GLU 45 -0.182 -33.396 14.053 224 H ALA 46 HN ALA 46 -1.759 -29.453 15.174 225 HA ALA 46 HA ALA 46 -0.167 -27.602 13.653 226 1HB ALA 46 HB1 ALA 46 -2.587 -27.903 13.307 227 2HB ALA 46 HB3 ALA 46 -2.935 -27.206 14.877 228 3HB ALA 46 HB2 ALA 46 -2.143 -26.235 13.620 229 H GLN 47 HN GLN 47 1.372 -26.237 14.405 230 HA GLN 47 HA GLN 47 1.350 -25.172 17.147 231 1HB GLN 47 HB2 GLN 47 3.456 -25.936 16.040 232 2HB GLN 47 HB1 GLN 47 3.226 -24.764 14.757 233 1HG GLN 47 HG2 GLN 47 3.277 -22.946 16.702 234 2HG GLN 47 HG1 GLN 47 3.945 -24.225 17.693 235 1HE2 GLN 47 HE22 GLN 47 7.094 -24.065 16.168 236 2HE2 GLN 47 HE21 GLN 47 6.077 -24.953 17.203 237 H ILE 48 HN ILE 48 -0.793 -24.257 16.522 238 HA ILE 48 HA ILE 48 -0.779 -21.937 14.744 239 HB ILE 48 HB ILE 48 -2.724 -22.923 16.581 240 1HG1 ILE 48 HG12 ILE 48 -3.628 -23.042 13.843 241 2HG1 ILE 48 HG11 ILE 48 -2.008 -23.739 13.909 242 1HG2 ILE 48 HG21 ILE 48 -3.170 -20.436 16.239 243 2HG2 ILE 48 HG23 ILE 48 -3.026 -20.651 14.508 244 3HG2 ILE 48 HG22 ILE 48 -4.363 -21.389 15.391 245 1HD1 ILE 48 HD1 ILE 48 -2.888 -25.179 15.766 246 2HD1 ILE 48 HD3 ILE 48 -4.461 -24.392 15.508 247 3HD1 ILE 48 HD2 ILE 48 -3.696 -25.287 14.201 248 H ILE 49 HN ILE 49 -0.689 -19.979 15.039 249 HA ILE 49 HA ILE 49 -0.317 -18.702 17.726 250 HB ILE 49 HB ILE 49 1.272 -18.823 15.377 251 1HG1 ILE 49 HG12 ILE 49 3.050 -18.116 17.092 252 2HG1 ILE 49 HG11 ILE 49 1.768 -18.125 18.275 253 1HG2 ILE 49 HG22 ILE 49 0.517 -16.415 15.127 254 2HG2 ILE 49 HG21 ILE 49 0.966 -16.207 16.828 255 3HG2 ILE 49 HG23 ILE 49 2.203 -16.504 15.619 256 1HD1 ILE 49 HD2 ILE 49 2.620 -20.542 16.583 257 2HD1 ILE 49 HD1 ILE 49 3.011 -20.285 18.272 258 3HD1 ILE 49 HD3 ILE 49 1.357 -20.550 17.807 259 H VAL 50 HN VAL 50 -0.715 -16.217 17.409 260 HA VAL 50 HA VAL 50 -3.326 -15.906 16.037 261 HB VAL 50 HB VAL 50 -3.069 -15.381 18.476 262 1HG1 VAL 50 HG11 VAL 50 -0.780 -14.447 18.506 263 2HG1 VAL 50 HG13 VAL 50 -1.307 -13.069 17.563 264 3HG1 VAL 50 HG12 VAL 50 -1.918 -13.302 19.188 265 1HG2 VAL 50 HG23 VAL 50 -3.770 -13.007 16.684 266 2HG2 VAL 50 HG22 VAL 50 -4.873 -14.297 17.177 267 3HG2 VAL 50 HG21 VAL 50 -4.239 -13.168 18.367 268 H LEU 51 HN LEU 51 -3.482 -14.903 14.214 269 HA LEU 51 HA LEU 51 -1.368 -13.026 13.310 270 1HB LEU 51 HB2 LEU 51 -2.655 -15.436 12.085 271 2HB LEU 51 HB1 LEU 51 -2.440 -14.107 11.018 272 HG LEU 51 HG LEU 51 -0.184 -15.453 12.601 273 1HD1 LEU 51 HD12 LEU 51 -0.852 -15.665 9.599 274 2HD1 LEU 51 HD11 LEU 51 0.566 -16.312 10.358 275 3HD1 LEU 51 HD13 LEU 51 -0.992 -16.948 10.756 276 1HD2 LEU 51 HD21 LEU 51 -0.141 -13.176 10.545 277 2HD2 LEU 51 HD23 LEU 51 0.333 -13.091 12.214 278 3HD2 LEU 51 HD22 LEU 51 1.302 -14.000 11.100 279 HA PRO 52 HA PRO 52 -5.450 -10.833 13.609 280 1HB PRO 52 HB2 PRO 52 -4.345 -8.271 13.565 281 2HB PRO 52 HB1 PRO 52 -4.603 -9.225 15.026 282 1HG PRO 52 HG2 PRO 52 -2.084 -9.083 13.303 283 2HG PRO 52 HG1 PRO 52 -2.179 -8.811 15.041 284 1HD PRO 52 HD1 PRO 52 -1.411 -11.205 14.159 285 2HD PRO 52 HD2 PRO 52 -2.642 -11.200 15.438 286 H VAL 53 HN VAL 53 -6.696 -10.455 11.849 287 HA VAL 53 HA VAL 53 -6.138 -10.720 9.165 288 HB VAL 53 HB VAL 53 -8.245 -9.265 10.478 289 1HG1 VAL 53 HG11 VAL 53 -7.543 -9.876 7.554 290 2HG1 VAL 53 HG13 VAL 53 -9.186 -9.341 7.993 291 3HG1 VAL 53 HG12 VAL 53 -7.808 -8.265 8.168 292 1HG2 VAL 53 HG22 VAL 53 -7.879 -11.825 10.423 293 2HG2 VAL 53 HG21 VAL 53 -9.461 -11.329 9.805 294 3HG2 VAL 53 HG23 VAL 53 -8.137 -11.755 8.720 295 H GLY 54 HN GLY 54 -4.925 -9.958 8.086 296 1HA GLY 54 HA2 GLY 54 -4.090 -7.948 6.696 297 2HA GLY 54 HA1 GLY 54 -4.140 -6.998 8.171 298 H THR 55 HN THR 55 -2.649 -9.259 9.723 299 HA THR 55 HA THR 55 0.037 -8.508 9.508 300 HB THR 55 HB THR 55 -1.598 -10.606 10.829 301 HG1 THR 55 HG1 THR 55 0.188 -8.882 11.952 302 1HG2 THR 55 HG22 THR 55 1.327 -10.138 10.915 303 2HG2 THR 55 HG21 THR 55 0.284 -11.199 11.904 304 3HG2 THR 55 HG23 THR 55 0.411 -11.453 10.148 305 H ILE 56 HN ILE 56 0.677 -8.444 7.337 306 HA ILE 56 HA ILE 56 0.107 -10.248 5.351 307 HB ILE 56 HB ILE 56 2.407 -8.386 5.791 308 1HG1 ILE 56 HG12 ILE 56 1.053 -7.831 3.371 309 2HG1 ILE 56 HG11 ILE 56 -0.198 -8.490 4.404 310 1HG2 ILE 56 HG21 ILE 56 2.203 -10.165 3.313 311 2HG2 ILE 56 HG23 ILE 56 3.232 -8.755 3.470 312 3HG2 ILE 56 HG22 ILE 56 3.522 -10.152 4.471 313 1HD1 ILE 56 HD3 ILE 56 0.331 -6.977 6.182 314 2HD1 ILE 56 HD2 ILE 56 1.605 -6.229 5.210 315 3HD1 ILE 56 HD1 ILE 56 -0.084 -6.099 4.716 316 H VAL 57 HN VAL 57 0.162 -12.046 5.256 317 HA VAL 57 HA VAL 57 2.647 -13.706 5.531 318 HB VAL 57 HB VAL 57 1.197 -15.683 6.086 319 1HG1 VAL 57 HG13 VAL 57 0.725 -13.301 7.892 320 2HG1 VAL 57 HG12 VAL 57 0.526 -14.981 8.356 321 3HG1 VAL 57 HG11 VAL 57 2.100 -14.368 7.913 322 1HG2 VAL 57 HG22 VAL 57 -0.576 -14.856 4.745 323 2HG2 VAL 57 HG21 VAL 57 -1.384 -15.339 6.183 324 3HG2 VAL 57 HG23 VAL 57 -1.074 -13.638 5.981 325 H THR 58 HN THR 58 2.284 -15.741 4.460 326 HA THR 58 HA THR 58 1.963 -15.559 1.583 327 HB THR 58 HB THR 58 3.026 -17.910 2.707 328 HG1 THR 58 HG1 THR 58 4.903 -16.256 3.441 329 1HG2 THR 58 HG22 THR 58 3.728 -16.859 0.429 330 2HG2 THR 58 HG21 THR 58 4.466 -15.553 1.342 331 3HG2 THR 58 HG23 THR 58 5.120 -17.186 1.444 332 H MET 59 HN MET 59 0.433 -17.045 0.433 333 HA MET 59 HA MET 59 -1.270 -18.630 2.276 334 1HB MET 59 HB2 MET 59 -2.322 -17.258 0.379 335 2HB MET 59 HB1 MET 59 -1.531 -18.345 -0.754 336 1HG MET 59 HG2 MET 59 -3.893 -19.060 -0.262 337 2HG MET 59 HG1 MET 59 -2.723 -20.283 0.117 338 1HE MET 59 HE2 MET 59 -2.961 -21.741 2.084 339 2HE MET 59 HE1 MET 59 -1.794 -20.606 2.786 340 3HE MET 59 HE3 MET 59 -3.174 -21.132 3.704 341 H GLU 60 HN GLU 60 1.020 -19.478 2.575 342 HA GLU 60 HA GLU 60 2.175 -21.366 0.759 343 1HB GLU 60 HB2 GLU 60 3.845 -21.422 2.630 344 2HB GLU 60 HB1 GLU 60 3.526 -19.792 2.142 345 1HG GLU 60 HG2 GLU 60 1.942 -19.566 4.095 346 2HG GLU 60 HG1 GLU 60 2.189 -21.209 4.582 347 OH TYR 61 OH TYR 61 -2.227 -29.379 4.565 348 H TYR 61 HN TYR 61 3.168 -23.343 2.303 349 HA TYR 61 HA TYR 61 0.879 -24.525 3.764 350 1HB TYR 61 HB2 TYR 61 1.006 -25.375 1.304 351 2HB TYR 61 HB1 TYR 61 2.408 -26.315 1.838 352 HD1 TYR 61 HD1 TYR 61 -1.060 -25.438 2.671 353 HD2 TYR 61 HD2 TYR 61 2.002 -28.329 3.133 354 HE1 TYR 61 HE1 TYR 61 -2.693 -26.975 3.688 355 HE2 TYR 61 HE2 TYR 61 0.349 -29.905 4.173 356 HH TYR 61 HH TYR 61 -2.409 -30.065 3.916 357 NH1 ARG 62 NH2 ARG 62 8.241 -21.527 6.568 358 NH2 ARG 62 NH1 ARG 62 6.301 -20.447 6.944 359 H ARG 62 HN ARG 62 2.579 -23.573 5.259 360 HA ARG 62 HA ARG 62 4.522 -25.721 6.012 361 1HB ARG 62 HB2 ARG 62 4.229 -22.789 6.723 362 2HB ARG 62 HB1 ARG 62 4.315 -23.796 8.159 363 1HG ARG 62 HG2 ARG 62 6.601 -23.370 7.681 364 2HG ARG 62 HG1 ARG 62 6.312 -24.990 7.117 365 1HD ARG 62 HD2 ARG 62 7.431 -23.941 5.235 366 2HD ARG 62 HD1 ARG 62 5.736 -23.927 4.790 367 HE ARG 62 HE ARG 62 6.011 -21.522 4.744 368 1HH1 ARG 62 HH21 ARG 62 8.662 -22.230 6.003 369 2HH1 ARG 62 HH22 ARG 62 8.756 -21.029 7.255 370 1HH2 ARG 62 HH12 ARG 62 5.351 -20.359 6.615 371 2HH2 ARG 62 HH11 ARG 62 6.665 -19.890 7.679 372 H ILE 63 HN ILE 63 2.863 -26.966 5.825 373 HA ILE 63 HA ILE 63 0.494 -26.909 7.141 374 HB ILE 63 HB ILE 63 1.527 -28.668 5.588 375 1HG1 ILE 63 HG12 ILE 63 -0.431 -28.994 7.741 376 2HG1 ILE 63 HG11 ILE 63 -0.516 -29.639 6.136 377 1HG2 ILE 63 HG22 ILE 63 3.597 -28.947 6.827 378 2HG2 ILE 63 HG21 ILE 63 2.765 -29.697 8.166 379 3HG2 ILE 63 HG23 ILE 63 2.840 -30.515 6.618 380 1HD1 ILE 63 HD2 ILE 63 0.892 -31.445 6.731 381 2HD1 ILE 63 HD1 ILE 63 0.974 -30.820 8.412 382 3HD1 ILE 63 HD3 ILE 63 -0.553 -31.428 7.742 383 H ASP 64 HN ASP 64 3.375 -27.175 8.797 384 HA ASP 64 HA ASP 64 2.542 -28.381 11.259 385 1HB ASP 64 HB2 ASP 64 4.565 -26.962 12.076 386 2HB ASP 64 HB1 ASP 64 4.908 -28.037 10.722 387 NH1 ARG 65 NH1 ARG 65 3.936 -21.048 13.824 388 NH2 ARG 65 NH2 ARG 65 4.676 -22.786 12.671 389 H ARG 65 HN ARG 65 1.169 -25.908 9.766 390 HA ARG 65 HA ARG 65 0.041 -24.771 12.222 391 1HB ARG 65 HB2 ARG 65 2.144 -23.685 11.427 392 2HB ARG 65 HB1 ARG 65 1.213 -23.118 10.052 393 1HG ARG 65 HG2 ARG 65 -0.311 -21.833 11.645 394 2HG ARG 65 HG1 ARG 65 0.407 -22.654 13.022 395 1HD ARG 65 HD2 ARG 65 1.348 -20.238 11.578 396 2HD ARG 65 HD1 ARG 65 1.554 -20.760 13.243 397 HE ARG 65 HE ARG 65 3.209 -21.786 10.938 398 1HH1 ARG 65 HH11 ARG 65 3.332 -20.262 13.930 399 2HH1 ARG 65 HH12 ARG 65 4.629 -21.303 14.499 400 1HH2 ARG 65 HH21 ARG 65 4.632 -23.406 11.872 401 2HH2 ARG 65 HH22 ARG 65 5.355 -22.923 13.397 402 H VAL 66 HN VAL 66 -1.855 -23.561 12.059 403 HA VAL 66 HA VAL 66 -3.317 -23.752 9.480 404 HB VAL 66 HB VAL 66 -4.565 -23.611 12.264 405 1HG1 VAL 66 HG13 VAL 66 -5.512 -24.749 9.640 406 2HG1 VAL 66 HG12 VAL 66 -6.440 -24.738 11.153 407 3HG1 VAL 66 HG11 VAL 66 -6.115 -23.203 10.279 408 1HG2 VAL 66 HG23 VAL 66 -4.069 -25.960 10.463 409 2HG2 VAL 66 HG22 VAL 66 -3.263 -25.751 12.018 410 3HG2 VAL 66 HG21 VAL 66 -5.044 -25.895 11.939 411 NH1 ARG 67 NH2 ARG 67 1.098 -19.568 7.453 412 NH2 ARG 67 NH1 ARG 67 0.985 -18.190 5.801 413 H ARG 67 HN ARG 67 -3.958 -21.663 8.815 414 HA ARG 67 HA ARG 67 -2.726 -19.500 10.453 415 1HB ARG 67 HB2 ARG 67 -2.521 -20.026 7.874 416 2HB ARG 67 HB1 ARG 67 -3.955 -19.029 7.739 417 1HG ARG 67 HG2 ARG 67 -2.870 -17.153 8.915 418 2HG ARG 67 HG1 ARG 67 -1.467 -18.163 9.247 419 1HD ARG 67 HD2 ARG 67 -2.317 -17.287 6.492 420 2HD ARG 67 HD1 ARG 67 -0.875 -16.800 7.434 421 HE ARG 67 HE ARG 67 -1.315 -19.644 6.596 422 1HH1 ARG 67 HH22 ARG 67 0.626 -20.135 8.116 423 2HH1 ARG 67 HH21 ARG 67 2.090 -19.581 7.384 424 1HH2 ARG 67 HH11 ARG 67 0.456 -17.620 5.186 425 2HH2 ARG 67 HH12 ARG 67 1.980 -18.285 5.759 426 H LEU 68 HN LEU 68 -3.762 -18.215 11.605 427 HA LEU 68 HA LEU 68 -6.711 -18.101 11.404 428 1HB LEU 68 HB2 LEU 68 -4.758 -18.187 13.699 429 2HB LEU 68 HB1 LEU 68 -6.272 -17.351 13.963 430 HG LEU 68 HG LEU 68 -7.515 -19.391 13.246 431 1HD1 LEU 68 HD13 LEU 68 -4.777 -20.715 13.100 432 2HD1 LEU 68 HD12 LEU 68 -6.313 -21.560 12.990 433 3HD1 LEU 68 HD11 LEU 68 -5.863 -20.417 11.765 434 1HD2 LEU 68 HD21 LEU 68 -5.567 -19.812 15.491 435 2HD2 LEU 68 HD23 LEU 68 -7.195 -19.174 15.567 436 3HD2 LEU 68 HD22 LEU 68 -6.934 -20.849 15.132 437 H PHE 69 HN PHE 69 -6.215 -16.415 9.685 438 HA PHE 69 HA PHE 69 -5.645 -13.845 10.840 439 1HB PHE 69 HB2 PHE 69 -6.579 -14.747 8.000 440 2HB PHE 69 HB1 PHE 69 -6.661 -12.992 8.424 441 HD1 PHE 69 HD1 PHE 69 -5.096 -12.073 9.736 442 HD2 PHE 69 HD2 PHE 69 -4.243 -15.605 7.537 443 HE1 PHE 69 HE1 PHE 69 -2.774 -11.622 9.942 444 HE2 PHE 69 HE2 PHE 69 -1.987 -15.180 7.813 445 HZ PHE 69 HZ PHE 69 -1.101 -13.194 8.851 446 H VAL 70 HN VAL 70 -6.513 -13.372 12.305 447 HA VAL 70 HA VAL 70 -9.459 -13.727 12.981 448 HB VAL 70 HB VAL 70 -8.856 -13.325 15.324 449 1HG1 VAL 70 HG12 VAL 70 -8.429 -15.666 14.617 450 2HG1 VAL 70 HG11 VAL 70 -6.784 -15.255 14.207 451 3HG1 VAL 70 HG13 VAL 70 -7.342 -15.118 15.864 452 1HG2 VAL 70 HG23 VAL 70 -6.006 -12.922 14.292 453 2HG2 VAL 70 HG22 VAL 70 -7.021 -11.650 14.982 454 3HG2 VAL 70 HG21 VAL 70 -6.488 -13.000 15.973 455 H ASP 71 HN ASP 71 -10.212 -11.609 14.549 456 HA ASP 71 HA ASP 71 -9.741 -9.351 12.704 457 1HB ASP 71 HB2 ASP 71 -11.819 -8.504 13.406 458 2HB ASP 71 HB1 ASP 71 -11.985 -10.122 13.892 459 H LYS 72 HN LYS 72 -10.454 -7.642 14.716 460 HA LYS 72 HA LYS 72 -7.808 -6.895 15.706 461 1HB LYS 72 HB2 LYS 72 -10.504 -5.447 15.773 462 2HB LYS 72 HB1 LYS 72 -9.002 -4.695 16.248 463 1HG LYS 72 HG2 LYS 72 -9.915 -4.056 13.941 464 2HG LYS 72 HG1 LYS 72 -8.219 -4.419 14.004 465 1HD LYS 72 HD2 LYS 72 -10.262 -6.551 13.152 466 2HD LYS 72 HD1 LYS 72 -9.811 -5.321 12.021 467 1HE LYS 72 HE2 LYS 72 -7.622 -6.929 13.406 468 2HE LYS 72 HE1 LYS 72 -8.447 -7.584 12.004 469 1HZ LYS 72 HZ3 LYS 72 -7.793 -4.954 11.339 470 2HZ LYS 72 HZ2 LYS 72 -6.426 -5.567 12.116 471 3HZ LYS 72 HZ1 LYS 72 -6.951 -6.366 10.757 472 H LEU 73 HN LEU 73 -10.053 -8.484 16.964 473 HA LEU 73 HA LEU 73 -8.898 -8.340 19.728 474 1HB LEU 73 HB2 LEU 73 -10.981 -7.668 20.610 475 2HB LEU 73 HB1 LEU 73 -11.083 -7.148 18.934 476 HG LEU 73 HG LEU 73 -12.260 -9.305 18.389 477 1HD1 LEU 73 HD11 LEU 73 -12.064 -10.381 20.736 478 2HD1 LEU 73 HD13 LEU 73 -12.962 -9.040 21.374 479 3HD1 LEU 73 HD12 LEU 73 -13.714 -10.139 20.235 480 1HD2 LEU 73 HD23 LEU 73 -13.514 -7.070 20.052 481 2HD2 LEU 73 HD22 LEU 73 -13.227 -7.031 18.317 482 3HD2 LEU 73 HD21 LEU 73 -14.426 -8.123 18.988 483 H ASP 74 HN ASP 74 -8.083 -9.897 17.894 484 HA ASP 74 HA ASP 74 -7.919 -11.999 16.994 485 1HB ASP 74 HB2 ASP 74 -6.428 -12.754 18.604 486 2HB ASP 74 HB1 ASP 74 -7.019 -11.545 19.700 487 H ASN 75 HN ASN 75 -10.767 -11.546 16.966 488 HA ASN 75 HA ASN 75 -11.558 -14.390 17.487 489 1HB ASN 75 HB2 ASN 75 -13.216 -11.810 17.243 490 2HB ASN 75 HB1 ASN 75 -13.900 -13.447 17.159 491 1HD2 ASN 75 HD22 ASN 75 -12.132 -14.165 20.122 492 2HD2 ASN 75 HD21 ASN 75 -11.525 -12.609 19.683 493 H ILE 76 HN ILE 76 -12.428 -15.574 15.864 494 HA ILE 76 HA ILE 76 -11.193 -15.373 13.352 495 HB ILE 76 HB ILE 76 -13.000 -17.362 14.550 496 1HG1 ILE 76 HG12 ILE 76 -10.037 -16.622 14.081 497 2HG1 ILE 76 HG11 ILE 76 -10.883 -16.747 15.654 498 1HG2 ILE 76 HG23 ILE 76 -11.334 -17.137 11.922 499 2HG2 ILE 76 HG22 ILE 76 -12.090 -18.670 12.445 500 3HG2 ILE 76 HG21 ILE 76 -13.057 -17.311 11.931 501 1HD1 ILE 76 HD2 ILE 76 -10.432 -18.955 13.867 502 2HD1 ILE 76 HD1 ILE 76 -9.507 -18.560 15.365 503 3HD1 ILE 76 HD3 ILE 76 -11.264 -18.875 15.457 504 H ALA 77 HN ALA 77 -11.662 -13.955 12.533 505 HA ALA 77 HA ALA 77 -13.965 -12.767 11.463 506 1HB ALA 77 HB1 ALA 77 -10.945 -12.706 11.282 507 2HB ALA 77 HB3 ALA 77 -11.939 -11.331 10.714 508 3HB ALA 77 HB2 ALA 77 -11.919 -11.829 12.419 509 H GLN 78 HN GLN 78 -11.444 -14.719 10.170 510 HA GLN 78 HA GLN 78 -13.083 -15.273 7.691 511 1HB GLN 78 HB2 GLN 78 -11.068 -13.903 7.212 512 2HB GLN 78 HB1 GLN 78 -10.033 -15.063 8.030 513 1HG GLN 78 HG2 GLN 78 -10.827 -16.817 6.266 514 2HG GLN 78 HG1 GLN 78 -11.639 -15.511 5.420 515 1HE2 GLN 78 HE21 GLN 78 -8.648 -14.475 3.903 516 2HE2 GLN 78 HE22 GLN 78 -10.322 -14.198 4.041 517 H VAL 79 HN VAL 79 -12.883 -17.730 7.002 518 HA VAL 79 HA VAL 79 -12.641 -19.230 9.477 519 HB VAL 79 HB VAL 79 -12.943 -20.236 6.575 520 1HG1 VAL 79 HG12 VAL 79 -11.724 -21.959 8.121 521 2HG1 VAL 79 HG11 VAL 79 -13.075 -21.763 9.242 522 3HG1 VAL 79 HG13 VAL 79 -13.332 -22.485 7.676 523 1HG2 VAL 79 HG23 VAL 79 -14.935 -19.177 7.858 524 2HG2 VAL 79 HG22 VAL 79 -15.176 -20.903 7.544 525 3HG2 VAL 79 HG21 VAL 79 -14.567 -20.376 9.105 526 HA PRO 80 HA PRO 80 -8.226 -19.832 9.166 527 1HB PRO 80 HB2 PRO 80 -8.397 -21.876 11.296 528 2HB PRO 80 HB1 PRO 80 -7.795 -20.214 11.344 529 1HG PRO 80 HG2 PRO 80 -10.103 -20.756 12.632 530 2HG PRO 80 HG1 PRO 80 -9.907 -19.269 11.680 531 1HD PRO 80 HD1 PRO 80 -10.997 -21.867 10.554 532 2HD PRO 80 HD2 PRO 80 -11.974 -20.408 10.753 533 NH1 ARG 81 NH1 ARG 81 -6.331 -18.938 4.247 534 NH2 ARG 81 NH2 ARG 81 -8.019 -18.597 5.709 535 H ARG 81 HN ARG 81 -6.592 -21.647 8.572 536 HA ARG 81 HA ARG 81 -7.655 -24.225 7.758 537 1HB ARG 81 HB2 ARG 81 -7.963 -23.860 5.432 538 2HB ARG 81 HB1 ARG 81 -8.537 -22.364 6.105 539 1HG ARG 81 HG2 ARG 81 -6.166 -21.568 6.011 540 2HG ARG 81 HG1 ARG 81 -5.801 -23.008 5.088 541 1HD ARG 81 HD2 ARG 81 -6.259 -21.321 3.401 542 2HD ARG 81 HD1 ARG 81 -7.707 -22.292 3.513 543 HE ARG 81 HE ARG 81 -8.872 -20.550 4.651 544 1HH1 ARG 81 HH12 ARG 81 -5.917 -19.554 3.578 545 2HH1 ARG 81 HH11 ARG 81 -5.951 -18.055 4.473 546 1HH2 ARG 81 HH21 ARG 81 -8.794 -18.989 6.210 547 2HH2 ARG 81 HH22 ARG 81 -7.755 -17.652 5.911 548 H VAL 82 HN VAL 82 -5.913 -25.358 6.405 549 HA VAL 82 HA VAL 82 -3.460 -25.014 7.968 550 HB VAL 82 HB VAL 82 -4.008 -26.959 5.708 551 1HG1 VAL 82 HG12 VAL 82 -2.023 -26.865 7.978 552 2HG1 VAL 82 HG11 VAL 82 -2.167 -28.204 6.818 553 3HG1 VAL 82 HG13 VAL 82 -1.587 -26.637 6.275 554 1HG2 VAL 82 HG23 VAL 82 -4.320 -27.293 8.709 555 2HG2 VAL 82 HG22 VAL 82 -5.582 -27.288 7.478 556 3HG2 VAL 82 HG21 VAL 82 -4.422 -28.594 7.521 557 H GLY 83 HN GLY 83 -1.500 -24.331 7.456 558 1HA GLY 83 GLY 83 0.249 -24.128 5.834 559 2HA GLY 83 HA1 GLY 83 -0.915 -23.523 4.634 Start of MODEL 16 Raw file had 559 H/Q atoms Start of MODEL 16 1 H LEU 20 HN LEU 20 -5.238 -34.181 6.158 2 HA LEU 20 HA LEU 20 -7.797 -35.456 5.549 3 1HB LEU 20 HB2 LEU 20 -6.287 -35.971 7.557 4 2HB LEU 20 HB1 LEU 20 -6.685 -34.410 8.210 5 HG LEU 20 HG LEU 20 -9.187 -35.178 8.085 6 1HD1 LEU 20 HD12 LEU 20 -7.757 -37.860 7.842 7 2HD1 LEU 20 HD11 LEU 20 -9.474 -37.648 8.121 8 3HD1 LEU 20 HD13 LEU 20 -8.769 -37.152 6.595 9 1HD2 LEU 20 HD21 LEU 20 -7.255 -36.614 9.962 10 2HD2 LEU 20 HD23 LEU 20 -7.915 -35.010 10.219 11 3HD2 LEU 20 HD22 LEU 20 -8.978 -36.408 10.234 12 H LYS 21 HN LYS 21 -7.169 -32.544 7.536 13 HA LYS 21 HA LYS 21 -9.358 -31.023 6.296 14 1HB LYS 21 HB2 LYS 21 -10.326 -32.177 8.233 15 2HB LYS 21 HB1 LYS 21 -8.918 -31.753 9.197 16 1HG LYS 21 HG2 LYS 21 -9.552 -29.314 8.985 17 2HG LYS 21 HG1 LYS 21 -10.945 -29.779 8.029 18 1HD LYS 21 HD2 LYS 21 -11.932 -30.982 9.943 19 2HD LYS 21 HD1 LYS 21 -10.516 -30.596 10.919 20 1HE LYS 21 HE2 LYS 21 -10.960 -28.160 10.518 21 2HE LYS 21 HE1 LYS 21 -12.458 -28.611 9.662 22 1HZ LYS 21 HZ1 LYS 21 -12.307 -29.889 12.181 23 2HZ LYS 21 HZ3 LYS 21 -11.962 -28.345 12.418 24 3HZ LYS 21 HZ2 LYS 21 -13.435 -28.629 11.807 25 H THR 22 HN THR 22 -8.409 -29.192 5.626 26 HA THR 22 HA THR 22 -6.227 -28.073 7.392 27 HB THR 22 HB THR 22 -5.362 -26.853 5.350 28 HG1 THR 22 HG1 THR 22 -7.754 -27.599 4.324 29 1HG2 THR 22 HG22 THR 22 -5.750 -29.833 4.919 30 2HG2 THR 22 HG21 THR 22 -4.581 -28.802 4.122 31 3HG2 THR 22 HG23 THR 22 -4.454 -29.076 5.861 32 H GLU 23 HN GLU 23 -9.209 -27.841 7.391 33 HA GLU 23 HA GLU 23 -9.256 -24.841 7.683 34 1HB GLU 23 HB2 GLU 23 -11.355 -24.672 6.360 35 2HB GLU 23 HB1 GLU 23 -9.946 -25.240 5.477 36 1HG GLU 23 HG2 GLU 23 -12.058 -27.178 6.605 37 2HG GLU 23 HG1 GLU 23 -12.058 -26.607 4.945 38 CH2 TRP 24 CH2 TRP 24 -6.886 -27.819 10.978 39 H TRP 24 HN TRP 24 -10.335 -24.005 9.336 40 HA TRP 24 HA TRP 24 -12.333 -25.664 10.808 41 1HB TRP 24 HB2 TRP 24 -10.069 -23.896 11.744 42 2HB TRP 24 HB1 TRP 24 -11.335 -24.318 12.815 43 HD1 TRP 24 HD1 TRP 24 -11.586 -26.340 13.681 44 HE1 TRP 24 HE1 TRP 24 -9.935 -28.458 13.772 45 HE3 TRP 24 HE3 TRP 24 -8.455 -24.963 10.263 46 HZ2 TRP 24 HZ2 TRP 24 -7.542 -29.234 12.481 47 HZ3 TRP 24 HZ3 TRP 24 -6.502 -26.215 9.604 48 HH2 TRP 24 HH2 TRP 24 -6.018 -28.370 10.672 49 HA PRO 25 HA PRO 25 -14.427 -21.829 9.645 50 1HB PRO 25 HB2 PRO 25 -16.626 -23.013 8.556 51 2HB PRO 25 HB1 PRO 25 -15.057 -22.959 7.720 52 1HG PRO 25 HG2 PRO 25 -16.077 -25.274 9.373 53 2HG PRO 25 HG1 PRO 25 -15.623 -25.257 7.654 54 1HD PRO 25 HD1 PRO 25 -13.775 -25.902 9.541 55 2HD PRO 25 HD2 PRO 25 -13.275 -24.890 8.164 56 H GLU 26 HN GLU 26 -15.450 -24.647 11.390 57 HA GLU 26 HA GLU 26 -17.644 -23.652 12.847 58 1HB GLU 26 HB2 GLU 26 -17.069 -25.352 14.554 59 2HB GLU 26 HB1 GLU 26 -16.801 -26.002 12.943 60 1HG GLU 26 HG2 GLU 26 -14.347 -24.708 14.076 61 2HG GLU 26 HG1 GLU 26 -14.866 -26.093 14.987 62 H LEU 27 HN LEU 27 -14.367 -22.810 13.087 63 HA LEU 27 HA LEU 27 -14.467 -21.700 15.767 64 1HB LEU 27 HB2 LEU 27 -12.434 -21.571 13.500 65 2HB LEU 27 HB1 LEU 27 -12.115 -20.992 15.127 66 HG LEU 27 HG LEU 27 -12.627 -23.804 14.191 67 1HD1 LEU 27 HD13 LEU 27 -10.312 -22.829 13.844 68 2HD1 LEU 27 HD12 LEU 27 -10.267 -22.484 15.548 69 3HD1 LEU 27 HD11 LEU 27 -10.392 -24.128 15.007 70 1HD2 LEU 27 HD23 LEU 27 -12.362 -22.760 17.026 71 2HD2 LEU 27 HD22 LEU 27 -13.733 -23.613 16.358 72 3HD2 LEU 27 HD21 LEU 27 -12.220 -24.443 16.563 73 H VAL 28 HN VAL 28 -14.885 -20.378 12.530 74 HA VAL 28 HA VAL 28 -14.484 -17.635 12.968 75 HB VAL 28 HB VAL 28 -16.710 -19.003 11.374 76 1HG1 VAL 28 HG12 VAL 28 -15.448 -16.238 10.985 77 2HG1 VAL 28 HG11 VAL 28 -16.635 -16.975 9.913 78 3HG1 VAL 28 HG13 VAL 28 -17.090 -16.521 11.541 79 1HG2 VAL 28 HG23 VAL 28 -13.887 -18.178 10.515 80 2HG2 VAL 28 HG22 VAL 28 -14.403 -19.849 10.666 81 3HG2 VAL 28 HG21 VAL 28 -15.122 -18.813 9.457 82 H GLY 29 HN GLY 29 -15.492 -15.980 13.986 83 1HA GLY 29 HA2 GLY 29 -17.357 -14.906 15.131 84 2HA GLY 29 HA1 GLY 29 -18.120 -16.471 15.349 85 H LYS 30 HN LYS 30 -15.214 -17.319 16.215 86 HA LYS 30 HA LYS 30 -15.434 -16.378 19.028 87 1HB LYS 30 HB2 LYS 30 -14.641 -18.963 17.798 88 2HB LYS 30 HB1 LYS 30 -14.426 -18.676 19.507 89 1HG LYS 30 HG2 LYS 30 -16.703 -18.486 20.039 90 2HG LYS 30 HG1 LYS 30 -17.195 -18.042 18.430 91 1HD LYS 30 HD2 LYS 30 -16.040 -20.787 18.546 92 2HD LYS 30 HD1 LYS 30 -17.356 -20.585 19.673 93 1HE LYS 30 HE2 LYS 30 -18.365 -21.327 17.626 94 2HE LYS 30 HE1 LYS 30 -18.723 -19.608 17.746 95 1HZ LYS 30 HZ1 LYS 30 -16.204 -19.862 16.533 96 2HZ LYS 30 HZ3 LYS 30 -17.225 -20.939 15.758 97 3HZ LYS 30 HZ2 LYS 30 -17.571 -19.311 15.746 98 H SER 31 HN SER 31 -13.349 -16.911 20.377 99 HA SER 31 HA SER 31 -10.917 -15.795 19.046 100 1HB SER 31 HB2 SER 31 -10.346 -16.076 21.718 101 2HB SER 31 HB1 SER 31 -11.291 -14.694 21.222 102 HG SER 31 HG1 SER 31 -12.158 -16.960 22.571 103 H VAL 32 HN VAL 32 -9.103 -16.000 19.414 104 HA VAL 32 HA VAL 32 -8.547 -18.341 18.260 105 HB VAL 32 HB VAL 32 -7.411 -16.132 18.563 106 1HG1 VAL 32 HG11 VAL 32 -5.730 -17.680 20.660 107 2HG1 VAL 32 HG13 VAL 32 -5.242 -16.166 19.940 108 3HG1 VAL 32 HG12 VAL 32 -6.674 -16.239 20.937 109 1HG2 VAL 32 HG21 VAL 32 -5.808 -18.781 18.225 110 2HG2 VAL 32 HG23 VAL 32 -6.549 -17.818 16.960 111 3HG2 VAL 32 HG22 VAL 32 -5.113 -17.237 17.771 112 H GLU 33 HN GLU 33 -7.993 -17.767 21.793 113 HA GLU 33 HA GLU 33 -6.621 -20.241 22.208 114 1HB GLU 33 HB2 GLU 33 -8.414 -18.554 24.010 115 2HB GLU 33 HB1 GLU 33 -7.701 -20.033 24.638 116 1HG GLU 33 HG2 GLU 33 -6.181 -17.605 23.475 117 2HG GLU 33 HG1 GLU 33 -6.125 -18.138 25.141 118 H GLU 34 HN GLU 34 -9.947 -19.610 22.347 119 HA GLU 34 HA GLU 34 -11.044 -22.172 22.876 120 1HB GLU 34 HB2 GLU 34 -12.093 -19.773 22.206 121 2HB GLU 34 HB1 GLU 34 -12.421 -20.655 20.737 122 1HG GLU 34 HG2 GLU 34 -13.658 -21.056 23.488 123 2HG GLU 34 HG1 GLU 34 -14.385 -21.230 21.906 124 H ALA 35 HN ALA 35 -10.318 -20.660 19.844 125 HA ALA 35 HA ALA 35 -10.664 -22.816 18.046 126 1HB ALA 35 HB3 ALA 35 -8.794 -20.411 17.958 127 2HB ALA 35 HB2 ALA 35 -9.148 -21.373 16.567 128 3HB ALA 35 HB1 ALA 35 -10.433 -20.479 17.359 129 H LYS 36 HN LYS 36 -7.638 -21.807 19.474 130 HA LYS 36 HA LYS 36 -5.798 -23.585 18.391 131 1HB LYS 36 HB2 LYS 36 -6.070 -22.226 21.099 132 2HB LYS 36 HB1 LYS 36 -4.625 -23.131 20.639 133 1HG LYS 36 HG2 LYS 36 -4.198 -21.767 18.784 134 2HG LYS 36 HG1 LYS 36 -5.765 -21.005 18.772 135 1HD LYS 36 HD2 LYS 36 -4.081 -19.393 19.430 136 2HD LYS 36 HD1 LYS 36 -5.086 -19.703 20.815 137 1HE LYS 36 HE2 LYS 36 -2.415 -21.082 20.385 138 2HE LYS 36 HE1 LYS 36 -2.605 -19.554 21.239 139 1HZ LYS 36 HZ1 LYS 36 -4.586 -21.205 22.257 140 2HZ LYS 36 HZ3 LYS 36 -3.158 -22.156 22.267 141 3HZ LYS 36 HZ2 LYS 36 -3.333 -20.634 23.044 142 H LYS 37 HN LYS 37 -7.689 -23.809 21.189 143 HA LYS 37 HA LYS 37 -6.907 -26.330 21.927 144 1HB LYS 37 HB2 LYS 37 -8.102 -24.678 23.318 145 2HB LYS 37 HB1 LYS 37 -9.500 -24.818 22.290 146 1HG LYS 37 HG2 LYS 37 -9.848 -27.171 23.012 147 2HG LYS 37 HG1 LYS 37 -8.388 -27.090 23.964 148 1HD LYS 37 HD2 LYS 37 -10.446 -26.670 25.359 149 2HD LYS 37 HD1 LYS 37 -9.271 -25.368 25.347 150 1HE LYS 37 HE2 LYS 37 -11.673 -24.633 25.192 151 2HE LYS 37 HE1 LYS 37 -10.593 -23.951 24.002 152 1HZ LYS 37 HZ2 LYS 37 -11.720 -26.394 22.960 153 2HZ LYS 37 HZ1 LYS 37 -12.936 -25.296 23.566 154 3HZ LYS 37 HZ3 LYS 37 -11.904 -24.772 22.409 155 H VAL 38 HN VAL 38 -9.791 -25.359 20.186 156 HA VAL 38 HA VAL 38 -10.727 -28.001 19.583 157 HB VAL 38 HB VAL 38 -10.986 -25.440 17.917 158 1HG1 VAL 38 HG12 VAL 38 -12.528 -28.080 17.708 159 2HG1 VAL 38 HG11 VAL 38 -12.902 -26.646 16.776 160 3HG1 VAL 38 HG13 VAL 38 -11.393 -27.477 16.520 161 1HG2 VAL 38 HG21 VAL 38 -12.929 -26.736 19.867 162 2HG2 VAL 38 HG23 VAL 38 -12.045 -25.242 20.125 163 3HG2 VAL 38 HG22 VAL 38 -13.275 -25.313 18.890 164 H ILE 39 HN ILE 39 -8.622 -26.010 17.743 165 HA ILE 39 HA ILE 39 -8.463 -27.808 15.545 166 HB ILE 39 HB ILE 39 -6.547 -25.689 16.517 167 1HG1 ILE 39 HG12 ILE 39 -8.682 -25.487 14.345 168 2HG1 ILE 39 HG11 ILE 39 -8.874 -24.884 15.974 169 1HG2 ILE 39 HG21 ILE 39 -7.153 -27.169 13.941 170 2HG2 ILE 39 HG23 ILE 39 -6.119 -25.809 14.004 171 3HG2 ILE 39 HG22 ILE 39 -5.649 -27.298 14.883 172 1HD1 ILE 39 HD3 ILE 39 -6.493 -24.005 14.220 173 2HD1 ILE 39 HD2 ILE 39 -8.056 -23.125 14.347 174 3HD1 ILE 39 HD1 ILE 39 -7.020 -23.329 15.742 175 H LEU 40 HN LEU 40 -6.198 -27.233 18.275 176 HA LEU 40 HA LEU 40 -4.447 -29.348 17.613 177 1HB LEU 40 HB2 LEU 40 -5.345 -27.991 20.205 178 2HB LEU 40 HB1 LEU 40 -4.096 -29.183 20.193 179 HG LEU 40 HG LEU 40 -4.085 -26.401 18.968 180 1HD1 LEU 40 HD11 LEU 40 -3.308 -26.644 21.298 181 2HD1 LEU 40 HD13 LEU 40 -2.142 -27.853 20.795 182 3HD1 LEU 40 HD12 LEU 40 -1.976 -26.197 20.247 183 1HD2 LEU 40 HD23 LEU 40 -1.997 -28.539 18.317 184 2HD2 LEU 40 HD22 LEU 40 -3.122 -27.830 17.151 185 3HD2 LEU 40 HD21 LEU 40 -1.904 -26.840 17.906 186 H GLN 41 HN GLN 41 -7.606 -29.327 19.370 187 HA GLN 41 HA GLN 41 -7.591 -32.136 19.966 188 1HB GLN 41 HB2 GLN 41 -9.986 -30.375 19.158 189 2HB GLN 41 HB1 GLN 41 -10.114 -31.973 19.808 190 1HG GLN 41 HG2 GLN 41 -9.458 -31.260 22.004 191 2HG GLN 41 HG1 GLN 41 -8.797 -29.737 21.476 192 1HE2 GLN 41 HE22 GLN 41 -12.873 -30.103 21.532 193 2HE2 GLN 41 HE21 GLN 41 -11.924 -31.459 21.089 194 H ASP 42 HN ASP 42 -8.307 -30.354 17.193 195 HA ASP 42 HA ASP 42 -8.931 -32.605 15.390 196 1HB ASP 42 HB2 ASP 42 -9.965 -30.170 15.812 197 2HB ASP 42 HB1 ASP 42 -8.693 -29.919 14.607 198 H LYS 43 HN LYS 43 -6.217 -31.757 16.181 199 HA LYS 43 HA LYS 43 -4.978 -31.105 13.543 200 1HB LYS 43 HB2 LYS 43 -3.991 -29.746 15.304 201 2HB LYS 43 HB1 LYS 43 -3.374 -31.170 16.125 202 1HG LYS 43 HG2 LYS 43 -1.916 -31.738 14.055 203 2HG LYS 43 HG1 LYS 43 -2.616 -30.426 13.217 204 1HD LYS 43 HD2 LYS 43 -1.222 -29.099 15.217 205 2HD LYS 43 HD1 LYS 43 -0.453 -30.649 15.288 206 1HE LYS 43 HE2 LYS 43 0.010 -30.576 12.729 207 2HE LYS 43 HE1 LYS 43 -0.424 -28.884 12.714 208 1HZ LYS 43 HZ1 LYS 43 1.258 -29.180 14.892 209 2HZ LYS 43 HZ3 LYS 43 2.011 -30.021 13.620 210 3HZ LYS 43 HZ2 LYS 43 1.556 -28.403 13.386 211 HA PRO 44 HA PRO 44 -2.503 -34.642 12.656 212 1HB PRO 44 HB2 PRO 44 -3.264 -34.272 9.859 213 2HB PRO 44 HB1 PRO 44 -3.542 -35.661 10.894 214 1HG PRO 44 HG2 PRO 44 -5.660 -34.131 10.142 215 2HG PRO 44 HG1 PRO 44 -5.503 -34.855 11.770 216 1HD PRO 44 HD1 PRO 44 -4.793 -31.915 11.127 217 2HD PRO 44 HD2 PRO 44 -5.957 -32.616 12.262 218 H GLU 45 HN GLU 45 -3.198 -32.005 10.327 219 HA GLU 45 HA GLU 45 -0.399 -31.278 9.897 220 1HB GLU 45 HB2 GLU 45 -2.914 -30.181 8.648 221 2HB GLU 45 HB1 GLU 45 -1.303 -30.095 7.952 222 1HG GLU 45 HG2 GLU 45 -2.224 -31.909 6.695 223 2HG GLU 45 HG1 GLU 45 -1.565 -32.807 8.041 224 H ALA 46 HN ALA 46 -3.014 -29.917 11.470 225 HA ALA 46 HA ALA 46 -2.587 -27.151 11.669 226 1HB ALA 46 HB1 ALA 46 -4.638 -28.222 11.823 227 2HB ALA 46 HB3 ALA 46 -4.207 -29.073 13.274 228 3HB ALA 46 HB2 ALA 46 -4.424 -27.365 13.332 229 H GLN 47 HN GLN 47 -0.106 -26.757 12.808 230 HA GLN 47 HA GLN 47 -0.532 -26.741 15.793 231 1HB GLN 47 HB2 GLN 47 1.825 -27.303 14.906 232 2HB GLN 47 HB1 GLN 47 1.899 -25.709 14.202 233 1HG GLN 47 HG2 GLN 47 3.071 -25.946 16.446 234 2HG GLN 47 HG1 GLN 47 1.885 -24.660 16.415 235 1HE2 GLN 47 HE21 GLN 47 0.335 -26.116 19.200 236 2HE2 GLN 47 HE22 GLN 47 0.726 -24.688 18.365 237 H ILE 48 HN ILE 48 -1.732 -24.895 16.626 238 HA ILE 48 HA ILE 48 -2.058 -22.633 14.849 239 HB ILE 48 HB ILE 48 -2.925 -22.959 17.570 240 1HG1 ILE 48 HG12 ILE 48 -5.194 -23.274 16.630 241 2HG1 ILE 48 HG11 ILE 48 -4.624 -23.155 15.031 242 1HG2 ILE 48 HG23 ILE 48 -3.554 -20.821 15.494 243 2HG2 ILE 48 HG22 ILE 48 -4.540 -21.082 16.915 244 3HG2 ILE 48 HG21 ILE 48 -2.892 -20.574 17.100 245 1HD1 ILE 48 HD1 ILE 48 -3.896 -25.278 17.005 246 2HD1 ILE 48 HD3 ILE 48 -4.930 -25.332 15.595 247 3HD1 ILE 48 HD2 ILE 48 -3.258 -25.166 15.323 248 H ILE 49 HN ILE 49 -1.487 -20.741 14.823 249 HA ILE 49 HA ILE 49 0.032 -19.317 16.919 250 HB ILE 49 HB ILE 49 0.572 -19.503 14.089 251 1HG1 ILE 49 HG12 ILE 49 1.626 -21.367 15.222 252 2HG1 ILE 49 HG11 ILE 49 2.897 -20.271 14.716 253 1HG2 ILE 49 HG22 ILE 49 1.879 -17.609 16.088 254 2HG2 ILE 49 HG21 ILE 49 2.524 -17.855 14.485 255 3HG2 ILE 49 HG23 ILE 49 0.946 -17.122 14.691 256 1HD1 ILE 49 HD3 ILE 49 2.969 -19.308 16.985 257 2HD1 ILE 49 HD2 ILE 49 1.699 -20.419 17.491 258 3HD1 ILE 49 HD1 ILE 49 3.259 -21.038 17.000 259 H VAL 50 HN VAL 50 -0.749 -17.193 17.084 260 HA VAL 50 HA VAL 50 -3.234 -16.553 15.600 261 HB VAL 50 HB VAL 50 -3.006 -16.276 18.096 262 1HG1 VAL 50 HG13 VAL 50 -1.109 -13.994 17.373 263 2HG1 VAL 50 HG12 VAL 50 -1.757 -14.321 18.968 264 3HG1 VAL 50 HG11 VAL 50 -0.683 -15.472 18.207 265 1HG2 VAL 50 HG22 VAL 50 -3.599 -13.698 16.589 266 2HG2 VAL 50 HG21 VAL 50 -4.751 -14.969 16.967 267 3HG2 VAL 50 HG23 VAL 50 -4.048 -14.018 18.257 268 H LEU 51 HN LEU 51 -3.489 -14.939 14.180 269 HA LEU 51 HA LEU 51 -1.186 -13.186 13.461 270 1HB LEU 51 HB2 LEU 51 -3.135 -14.656 11.671 271 2HB LEU 51 HB1 LEU 51 -2.071 -13.407 11.124 272 HG LEU 51 HG LEU 51 -0.688 -15.655 12.424 273 1HD1 LEU 51 HD11 LEU 51 -2.075 -15.948 9.640 274 2HD1 LEU 51 HD13 LEU 51 -0.912 -17.052 10.368 275 3HD1 LEU 51 HD12 LEU 51 -2.493 -16.810 11.066 276 1HD2 LEU 51 HD23 LEU 51 -0.250 -13.872 9.900 277 2HD2 LEU 51 HD22 LEU 51 0.543 -13.720 11.425 278 3HD2 LEU 51 HD21 LEU 51 0.841 -15.151 10.443 279 HA PRO 52 HA PRO 52 -4.770 -10.476 13.927 280 1HB PRO 52 HB2 PRO 52 -3.638 -8.009 13.473 281 2HB PRO 52 HB1 PRO 52 -3.166 -8.910 14.921 282 1HG PRO 52 HG2 PRO 52 -1.769 -8.929 12.190 283 2HG PRO 52 HG1 PRO 52 -1.047 -8.515 13.745 284 1HD PRO 52 HD1 PRO 52 -0.838 -11.086 12.796 285 2HD PRO 52 HD2 PRO 52 -1.156 -10.831 14.532 286 H VAL 53 HN VAL 53 -6.281 -10.009 12.306 287 HA VAL 53 HA VAL 53 -6.127 -10.970 9.777 288 HB VAL 53 HB VAL 53 -7.797 -9.152 11.140 289 1HG1 VAL 53 HG12 VAL 53 -7.787 -9.458 8.092 290 2HG1 VAL 53 HG11 VAL 53 -9.110 -8.680 8.989 291 3HG1 VAL 53 HG13 VAL 53 -7.530 -7.916 8.904 292 1HG2 VAL 53 HG23 VAL 53 -7.974 -11.480 9.211 293 2HG2 VAL 53 HG22 VAL 53 -7.989 -11.637 10.944 294 3HG2 VAL 53 HG21 VAL 53 -9.365 -10.882 10.131 295 H GLY 54 HN GLY 54 -5.281 -10.846 8.188 296 1HA GLY 54 HA2 GLY 54 -4.563 -9.704 6.094 297 2HA GLY 54 HA1 GLY 54 -4.159 -8.301 7.044 298 H THR 55 HN THR 55 -2.446 -10.348 8.910 299 HA THR 55 HA THR 55 0.033 -9.593 7.977 300 HB THR 55 HB THR 55 0.684 -11.904 9.223 301 HG1 THR 55 HG1 THR 55 -1.684 -10.931 10.525 302 1HG2 THR 55 HG23 THR 55 0.899 -9.340 9.886 303 2HG2 THR 55 HG22 THR 55 -0.805 -9.537 10.349 304 3HG2 THR 55 HG21 THR 55 0.477 -10.389 11.233 305 H ILE 56 HN ILE 56 1.611 -10.408 6.587 306 HA ILE 56 HA ILE 56 0.542 -12.127 4.453 307 HB ILE 56 HB ILE 56 3.425 -11.186 4.861 308 1HG1 ILE 56 HG12 ILE 56 1.809 -9.321 4.770 309 2HG1 ILE 56 HG11 ILE 56 2.847 -9.325 3.358 310 1HG2 ILE 56 HG23 ILE 56 1.917 -12.198 2.385 311 2HG2 ILE 56 HG22 ILE 56 3.552 -11.575 2.382 312 3HG2 ILE 56 HG21 ILE 56 3.186 -13.067 3.229 313 1HD1 ILE 56 HD2 ILE 56 -0.062 -10.307 3.492 314 2HD1 ILE 56 HD1 ILE 56 0.494 -8.834 2.729 315 3HD1 ILE 56 HD3 ILE 56 0.944 -10.377 2.045 316 H VAL 57 HN VAL 57 0.543 -14.042 4.490 317 HA VAL 57 HA VAL 57 2.145 -15.671 6.414 318 HB VAL 57 HB VAL 57 0.003 -17.170 6.372 319 1HG1 VAL 57 HG13 VAL 57 0.973 -15.893 8.242 320 2HG1 VAL 57 HG12 VAL 57 0.228 -14.416 7.653 321 3HG1 VAL 57 HG11 VAL 57 -0.753 -15.720 8.271 322 1HG2 VAL 57 HG22 VAL 57 -1.201 -15.647 4.527 323 2HG2 VAL 57 HG21 VAL 57 -2.220 -15.731 5.938 324 3HG2 VAL 57 HG23 VAL 57 -1.192 -14.366 5.726 325 H THR 58 HN THR 58 0.066 -17.197 4.131 326 HA THR 58 HA THR 58 2.040 -19.151 3.483 327 HB THR 58 HB THR 58 -0.413 -19.208 2.112 328 HG1 THR 58 HG1 THR 58 -1.247 -19.783 4.504 329 1HG2 THR 58 HG23 THR 58 1.107 -21.157 2.612 330 2HG2 THR 58 HG22 THR 58 0.754 -20.963 4.328 331 3HG2 THR 58 HG21 THR 58 -0.523 -21.485 3.228 332 H MET 59 HN MET 59 3.492 -18.754 2.125 333 HA MET 59 HA MET 59 2.944 -17.652 -0.552 334 1HB MET 59 HB2 MET 59 5.651 -18.293 0.745 335 2HB MET 59 HB1 MET 59 5.440 -17.430 -0.764 336 1HG MET 59 HG2 MET 59 3.932 -15.811 0.733 337 2HG MET 59 HG1 MET 59 4.809 -16.528 2.042 338 1HE MET 59 HE1 MET 59 7.574 -16.680 1.846 339 2HE MET 59 HE3 MET 59 8.290 -15.078 1.913 340 3HE MET 59 HE2 MET 59 6.975 -15.486 3.019 341 H GLU 60 HN GLU 60 4.604 -19.849 0.786 342 HA GLU 60 HA GLU 60 4.636 -22.169 -1.015 343 1HB GLU 60 HB2 GLU 60 6.403 -22.784 0.405 344 2HB GLU 60 HB1 GLU 60 6.475 -21.071 0.551 345 1HG GLU 60 HG2 GLU 60 5.339 -22.958 2.698 346 2HG GLU 60 HG1 GLU 60 6.594 -21.773 2.818 347 OH TYR 61 OH TYR 61 -2.667 -27.933 3.079 348 H TYR 61 HN TYR 61 4.598 -23.890 1.197 349 HA TYR 61 HA TYR 61 1.766 -23.713 2.170 350 1HB TYR 61 HB2 TYR 61 2.247 -25.601 0.427 351 2HB TYR 61 HB1 TYR 61 3.054 -26.477 1.700 352 HD1 TYR 61 HD1 TYR 61 0.497 -24.801 3.568 353 HD2 TYR 61 HD2 TYR 61 1.158 -27.793 0.625 354 HE1 TYR 61 HE1 TYR 61 -1.622 -25.829 4.130 355 HE2 TYR 61 HE2 TYR 61 -1.027 -28.833 1.220 356 HH TYR 61 HH TYR 61 -2.569 -28.866 3.288 357 NH1 ARG 62 NH1 ARG 62 4.962 -18.341 5.591 358 NH2 ARG 62 NH2 ARG 62 7.004 -19.205 5.332 359 H ARG 62 HN ARG 62 2.336 -22.814 4.080 360 HA ARG 62 HA ARG 62 4.190 -23.965 6.011 361 1HB ARG 62 HB2 ARG 62 2.903 -21.487 5.655 362 2HB ARG 62 HB1 ARG 62 2.134 -22.090 7.050 363 1HG ARG 62 HG2 ARG 62 4.084 -20.805 7.782 364 2HG ARG 62 HG1 ARG 62 4.476 -22.503 8.027 365 1HD ARG 62 HD2 ARG 62 6.372 -21.315 7.058 366 2HD ARG 62 HD1 ARG 62 5.748 -22.482 5.890 367 HE ARG 62 HE ARG 62 4.526 -20.579 4.762 368 1HH1 ARG 62 HH11 ARG 62 3.987 -18.533 5.651 369 2HH1 ARG 62 HH12 ARG 62 5.280 -17.405 5.624 370 1HH2 ARG 62 HH22 ARG 62 7.534 -20.042 5.242 371 2HH2 ARG 62 HH21 ARG 62 7.437 -18.309 5.320 372 H ILE 63 HN ILE 63 2.763 -25.937 5.385 373 HA ILE 63 HA ILE 63 0.452 -26.337 7.129 374 HB ILE 63 HB ILE 63 0.934 -27.188 4.665 375 1HG1 ILE 63 HG12 ILE 63 0.097 -29.441 4.820 376 2HG1 ILE 63 HG11 ILE 63 0.409 -29.467 6.558 377 1HG2 ILE 63 HG23 ILE 63 3.305 -27.703 5.277 378 2HG2 ILE 63 HG22 ILE 63 2.763 -29.031 6.251 379 3HG2 ILE 63 HG21 ILE 63 2.552 -29.104 4.508 380 1HD1 ILE 63 HD3 ILE 63 -1.278 -27.677 6.840 381 2HD1 ILE 63 HD2 ILE 63 -1.673 -27.728 5.165 382 3HD1 ILE 63 HD1 ILE 63 -2.014 -29.121 6.158 383 H ASP 64 HN ASP 64 2.721 -25.872 8.376 384 HA ASP 64 HA ASP 64 3.002 -28.166 10.198 385 1HB ASP 64 HB2 ASP 64 4.844 -26.605 11.162 386 2HB ASP 64 HB1 ASP 64 5.081 -27.090 9.510 387 NH1 ARG 65 NH2 ARG 65 1.239 -22.081 8.999 388 NH2 ARG 65 NH1 ARG 65 0.354 -20.085 9.563 389 H ARG 65 HN ARG 65 1.635 -25.163 9.822 390 HA ARG 65 HA ARG 65 0.550 -24.969 12.535 391 1HB ARG 65 HB2 ARG 65 2.473 -23.653 12.285 392 2HB ARG 65 HB1 ARG 65 1.883 -23.270 10.695 393 1HG ARG 65 HG2 ARG 65 0.026 -21.799 11.825 394 2HG ARG 65 HG1 ARG 65 0.848 -22.088 13.339 395 1HD ARG 65 HD2 ARG 65 1.493 -19.898 12.292 396 2HD ARG 65 HD1 ARG 65 2.896 -20.954 12.504 397 HE ARG 65 HE ARG 65 3.059 -20.573 10.124 398 1HH1 ARG 65 HH22 ARG 65 1.971 -22.767 9.083 399 2HH1 ARG 65 HH21 ARG 65 0.492 -22.289 8.364 400 1HH2 ARG 65 HH11 ARG 65 0.402 -19.259 10.124 401 2HH2 ARG 65 HH12 ARG 65 -0.361 -20.283 8.884 402 H VAL 66 HN VAL 66 -1.345 -23.610 12.950 403 HA VAL 66 HA VAL 66 -3.090 -23.477 10.540 404 HB VAL 66 HB VAL 66 -4.023 -23.143 13.318 405 1HG1 VAL 66 HG13 VAL 66 -5.234 -24.377 10.778 406 2HG1 VAL 66 HG12 VAL 66 -6.155 -24.259 12.243 407 3HG1 VAL 66 HG11 VAL 66 -5.707 -22.774 11.347 408 1HG2 VAL 66 HG23 VAL 66 -2.877 -25.313 13.073 409 2HG2 VAL 66 HG22 VAL 66 -4.598 -25.256 13.407 410 3HG2 VAL 66 HG21 VAL 66 -4.068 -25.722 11.780 411 NH1 ARG 67 NH2 ARG 67 -4.260 -16.568 5.546 412 NH2 ARG 67 NH1 ARG 67 -4.407 -18.437 4.260 413 H ARG 67 HN ARG 67 -3.478 -21.736 9.879 414 HA ARG 67 HA ARG 67 -2.249 -19.276 10.859 415 1HB ARG 67 HB2 ARG 67 -2.200 -20.437 8.513 416 2HB ARG 67 HB1 ARG 67 -3.829 -19.917 8.373 417 1HG ARG 67 HG2 ARG 67 -3.166 -17.553 8.638 418 2HG ARG 67 HG1 ARG 67 -1.461 -18.052 8.710 419 1HD ARG 67 HD2 ARG 67 -1.908 -17.488 6.452 420 2HD ARG 67 HD1 ARG 67 -1.762 -19.209 6.523 421 HE ARG 67 HE ARG 67 -4.384 -19.067 6.864 422 1HH1 ARG 67 HH21 ARG 67 -3.957 -16.329 6.473 423 2HH1 ARG 67 HH22 ARG 67 -4.589 -15.918 4.869 424 1HH2 ARG 67 HH12 ARG 67 -4.225 -19.417 4.245 425 2HH2 ARG 67 HH11 ARG 67 -4.756 -17.940 3.473 426 H LEU 68 HN LEU 68 -3.561 -18.479 12.509 427 HA LEU 68 HA LEU 68 -6.459 -18.343 11.934 428 1HB LEU 68 HB2 LEU 68 -4.769 -18.417 14.416 429 2HB LEU 68 HB1 LEU 68 -6.295 -17.549 14.510 430 HG LEU 68 HG LEU 68 -7.442 -19.522 13.611 431 1HD1 LEU 68 HD12 LEU 68 -4.721 -20.881 13.863 432 2HD1 LEU 68 HD11 LEU 68 -6.227 -21.731 13.584 433 3HD1 LEU 68 HD13 LEU 68 -5.619 -20.616 12.382 434 1HD2 LEU 68 HD23 LEU 68 -5.944 -19.988 16.158 435 2HD2 LEU 68 HD22 LEU 68 -7.533 -19.277 15.937 436 3HD2 LEU 68 HD21 LEU 68 -7.282 -20.969 15.573 437 H PHE 69 HN PHE 69 -6.293 -16.650 10.385 438 HA PHE 69 HA PHE 69 -5.532 -14.100 11.407 439 1HB PHE 69 HB2 PHE 69 -6.926 -15.234 8.923 440 2HB PHE 69 HB1 PHE 69 -7.116 -13.467 9.232 441 HD1 PHE 69 HD1 PHE 69 -5.277 -12.408 10.202 442 HD2 PHE 69 HD2 PHE 69 -4.725 -15.898 7.884 443 HE1 PHE 69 HE1 PHE 69 -3.049 -11.750 9.811 444 HE2 PHE 69 HE2 PHE 69 -2.567 -15.312 7.577 445 HZ PHE 69 HZ PHE 69 -1.561 -13.280 8.339 446 H VAL 70 HN VAL 70 -6.202 -13.343 12.959 447 HA VAL 70 HA VAL 70 -9.113 -13.619 13.758 448 HB VAL 70 HB VAL 70 -8.482 -13.221 16.045 449 1HG1 VAL 70 HG13 VAL 70 -8.136 -15.544 15.309 450 2HG1 VAL 70 HG12 VAL 70 -6.485 -15.199 14.845 451 3HG1 VAL 70 HG11 VAL 70 -6.988 -15.054 16.536 452 1HG2 VAL 70 HG23 VAL 70 -6.628 -11.593 15.767 453 2HG2 VAL 70 HG22 VAL 70 -6.177 -12.958 16.774 454 3HG2 VAL 70 HG21 VAL 70 -5.610 -12.884 15.109 455 H ASP 71 HN ASP 71 -9.778 -11.536 15.143 456 HA ASP 71 HA ASP 71 -9.128 -9.274 13.330 457 1HB ASP 71 HB2 ASP 71 -11.385 -8.588 13.665 458 2HB ASP 71 HB1 ASP 71 -11.473 -10.262 13.924 459 H LYS 72 HN LYS 72 -10.417 -7.791 15.256 460 HA LYS 72 HA LYS 72 -8.121 -6.699 16.670 461 1HB LYS 72 HB2 LYS 72 -10.970 -5.840 16.692 462 2HB LYS 72 HB1 LYS 72 -9.669 -4.729 17.105 463 1HG LYS 72 HG2 LYS 72 -8.941 -4.615 14.786 464 2HG LYS 72 HG1 LYS 72 -9.970 -5.925 14.283 465 1HD LYS 72 HD2 LYS 72 -10.809 -3.145 15.280 466 2HD LYS 72 HD1 LYS 72 -11.070 -3.768 13.666 467 1HE LYS 72 HE2 LYS 72 -12.496 -4.639 16.242 468 2HE LYS 72 HE1 LYS 72 -13.186 -3.866 14.839 469 1HZ LYS 72 HZ2 LYS 72 -11.875 -6.094 13.853 470 2HZ LYS 72 HZ1 LYS 72 -12.672 -6.674 15.213 471 3HZ LYS 72 HZ3 LYS 72 -13.539 -5.915 13.988 472 H LEU 73 HN LEU 73 -10.392 -8.596 17.429 473 HA LEU 73 HA LEU 73 -9.774 -8.427 20.354 474 1HB LEU 73 HB2 LEU 73 -12.000 -7.781 20.773 475 2HB LEU 73 HB1 LEU 73 -11.921 -7.377 19.065 476 HG LEU 73 HG LEU 73 -12.655 -9.769 18.623 477 1HD1 LEU 73 HD12 LEU 73 -12.702 -10.397 21.154 478 2HD1 LEU 73 HD11 LEU 73 -13.881 -9.141 21.414 479 3HD1 LEU 73 HD13 LEU 73 -14.291 -10.541 20.443 480 1HD2 LEU 73 HD21 LEU 73 -14.558 -7.587 19.637 481 2HD2 LEU 73 HD23 LEU 73 -13.949 -7.753 17.994 482 3HD2 LEU 73 HD22 LEU 73 -15.047 -8.956 18.652 483 H ASP 74 HN ASP 74 -8.475 -9.983 18.762 484 HA ASP 74 HA ASP 74 -7.988 -12.119 17.987 485 1HB ASP 74 HB2 ASP 74 -6.987 -12.811 19.978 486 2HB ASP 74 HB1 ASP 74 -7.841 -11.546 20.804 487 H ASN 75 HN ASN 75 -10.869 -11.663 17.582 488 HA ASN 75 HA ASN 75 -11.700 -14.481 17.781 489 1HB ASN 75 HB2 ASN 75 -13.259 -11.870 17.330 490 2HB ASN 75 HB1 ASN 75 -13.983 -13.489 17.165 491 1HD2 ASN 75 HD21 ASN 75 -12.829 -14.271 20.333 492 2HD2 ASN 75 HD22 ASN 75 -11.984 -12.788 20.015 493 H ILE 76 HN ILE 76 -12.624 -15.375 15.909 494 HA ILE 76 HA ILE 76 -10.875 -15.165 13.714 495 HB ILE 76 HB ILE 76 -13.064 -17.025 14.414 496 1HG1 ILE 76 HG12 ILE 76 -10.034 -16.517 14.650 497 2HG1 ILE 76 HG11 ILE 76 -11.246 -16.734 15.944 498 1HG2 ILE 76 HG23 ILE 76 -10.887 -17.036 12.184 499 2HG2 ILE 76 HG22 ILE 76 -12.001 -18.385 12.473 500 3HG2 ILE 76 HG21 ILE 76 -12.567 -16.867 11.819 501 1HD1 ILE 76 HD1 ILE 76 -10.524 -18.856 14.197 502 2HD1 ILE 76 HD3 ILE 76 -9.902 -18.552 15.851 503 3HD1 ILE 76 HD2 ILE 76 -11.652 -18.796 15.595 504 H ALA 77 HN ALA 77 -10.951 -14.136 12.306 505 HA ALA 77 HA ALA 77 -13.217 -12.710 11.252 506 1HB ALA 77 HB2 ALA 77 -11.252 -11.920 12.528 507 2HB ALA 77 HB1 ALA 77 -10.174 -12.622 11.372 508 3HB ALA 77 HB3 ALA 77 -11.165 -11.208 10.895 509 H GLN 78 HN GLN 78 -10.606 -14.711 10.297 510 HA GLN 78 HA GLN 78 -11.925 -15.239 7.613 511 1HB GLN 78 HB2 GLN 78 -9.587 -14.099 7.682 512 2HB GLN 78 HB1 GLN 78 -8.981 -15.624 8.294 513 1HG GLN 78 HG2 GLN 78 -9.850 -16.797 6.212 514 2HG GLN 78 HG1 GLN 78 -10.326 -15.234 5.564 515 1HE2 GLN 78 HE21 GLN 78 -7.045 -14.430 4.588 516 2HE2 GLN 78 HE22 GLN 78 -8.657 -13.900 4.691 517 H VAL 79 HN VAL 79 -11.696 -17.672 6.872 518 HA VAL 79 HA VAL 79 -12.156 -19.191 9.262 519 HB VAL 79 HB VAL 79 -11.837 -20.228 6.401 520 1HG1 VAL 79 HG13 VAL 79 -12.594 -21.602 9.034 521 2HG1 VAL 79 HG12 VAL 79 -12.660 -22.416 7.465 522 3HG1 VAL 79 HG11 VAL 79 -11.108 -21.993 8.168 523 1HG2 VAL 79 HG23 VAL 79 -13.985 -20.130 8.513 524 2HG2 VAL 79 HG22 VAL 79 -13.961 -18.969 7.178 525 3HG2 VAL 79 HG21 VAL 79 -14.284 -20.682 6.870 526 HA PRO 80 HA PRO 80 -7.883 -20.013 10.179 527 1HB PRO 80 HB2 PRO 80 -9.087 -22.167 11.903 528 2HB PRO 80 HB1 PRO 80 -7.986 -20.903 12.382 529 1HG PRO 80 HG2 PRO 80 -10.568 -20.569 13.065 530 2HG PRO 80 HG1 PRO 80 -9.828 -19.215 12.171 531 1HD PRO 80 HD1 PRO 80 -11.230 -21.575 10.873 532 2HD PRO 80 HD2 PRO 80 -11.859 -19.940 10.855 533 NH1 ARG 81 NH1 ARG 81 -9.690 -21.960 4.876 534 NH2 ARG 81 NH2 ARG 81 -8.721 -20.457 3.548 535 H ARG 81 HN ARG 81 -6.302 -21.549 9.515 536 HA ARG 81 HA ARG 81 -7.245 -24.076 8.361 537 1HB ARG 81 HB2 ARG 81 -6.441 -23.494 6.056 538 2HB ARG 81 HB1 ARG 81 -7.893 -22.688 6.605 539 1HG ARG 81 HG2 ARG 81 -6.300 -20.895 7.514 540 2HG ARG 81 HG1 ARG 81 -5.059 -21.736 6.609 541 1HD ARG 81 HD2 ARG 81 -6.127 -19.775 5.334 542 2HD ARG 81 HD1 ARG 81 -6.346 -21.346 4.519 543 HE ARG 81 HE ARG 81 -8.415 -20.160 6.375 544 1HH1 ARG 81 HH12 ARG 81 -9.716 -22.359 5.791 545 2HH1 ARG 81 HH11 ARG 81 -10.306 -22.288 4.159 546 1HH2 ARG 81 HH22 ARG 81 -8.025 -19.751 3.525 547 2HH2 ARG 81 HH21 ARG 81 -9.272 -20.698 2.761 548 H VAL 82 HN VAL 82 -5.496 -25.577 7.728 549 HA VAL 82 HA VAL 82 -3.107 -24.876 9.305 550 HB VAL 82 HB VAL 82 -3.287 -27.223 7.470 551 1HG1 VAL 82 HG11 VAL 82 -1.053 -26.253 8.480 552 2HG1 VAL 82 HG13 VAL 82 -1.531 -26.832 10.127 553 3HG1 VAL 82 HG12 VAL 82 -1.374 -27.977 8.849 554 1HG2 VAL 82 HG22 VAL 82 -4.088 -26.986 10.295 555 2HG2 VAL 82 HG21 VAL 82 -5.091 -27.415 8.919 556 3HG2 VAL 82 HG23 VAL 82 -3.837 -28.515 9.454 557 H GLY 83 HN GLY 83 -2.059 -23.300 8.307 558 1HA GLY 83 HA1 GLY 83 -0.096 -23.675 6.739 559 2HA GLY 83 GLY 83 -1.267 -23.722 5.451 Start of MODEL 17 Raw file had 559 H/Q atoms Start of MODEL 17 1 H LEU 20 HN LEU 20 -8.867 -34.582 4.668 2 HA LEU 20 HA LEU 20 -10.798 -32.827 4.261 3 1HB LEU 20 HB2 LEU 20 -12.455 -34.403 5.392 4 2HB LEU 20 HB1 LEU 20 -11.365 -35.146 4.251 5 HG LEU 20 HG LEU 20 -9.906 -35.827 6.281 6 1HD1 LEU 20 HD13 LEU 20 -12.438 -35.051 7.787 7 2HD1 LEU 20 HD12 LEU 20 -11.072 -35.928 8.461 8 3HD1 LEU 20 HD11 LEU 20 -10.877 -34.274 7.949 9 1HD2 LEU 20 HD22 LEU 20 -12.759 -36.891 6.114 10 2HD2 LEU 20 HD21 LEU 20 -11.423 -37.407 5.100 11 3HD2 LEU 20 HD23 LEU 20 -11.397 -37.743 6.820 12 H LYS 21 HN LYS 21 -9.118 -32.762 7.043 13 HA LYS 21 HA LYS 21 -10.978 -30.810 8.343 14 1HB LYS 21 HB2 LYS 21 -10.604 -33.055 9.531 15 2HB LYS 21 HB1 LYS 21 -8.920 -32.621 9.662 16 1HG LYS 21 HG2 LYS 21 -10.045 -32.137 11.763 17 2HG LYS 21 HG1 LYS 21 -9.628 -30.589 11.030 18 1HD LYS 21 HD2 LYS 21 -12.401 -31.737 10.506 19 2HD LYS 21 HD1 LYS 21 -12.075 -31.145 12.102 20 1HE LYS 21 HE2 LYS 21 -11.335 -29.228 9.945 21 2HE LYS 21 HE1 LYS 21 -13.051 -29.562 10.058 22 1HZ LYS 21 HZ1 LYS 21 -12.027 -29.195 12.711 23 2HZ LYS 21 HZ3 LYS 21 -11.444 -27.976 11.754 24 3HZ LYS 21 HZ2 LYS 21 -13.107 -28.164 11.943 25 H THR 22 HN THR 22 -9.766 -29.687 6.517 26 HA THR 22 HA THR 22 -7.036 -28.731 7.466 27 HB THR 22 HB THR 22 -6.651 -27.950 5.068 28 HG1 THR 22 HG1 THR 22 -9.225 -28.877 4.752 29 1HG2 THR 22 HG21 THR 22 -7.225 -30.906 5.425 30 2HG2 THR 22 HG23 THR 22 -6.199 -30.192 4.196 31 3HG2 THR 22 HG22 THR 22 -5.698 -30.131 5.888 32 H GLU 23 HN GLU 23 -9.986 -27.939 7.671 33 HA GLU 23 HA GLU 23 -9.572 -25.010 7.632 34 1HB GLU 23 HB2 GLU 23 -11.790 -24.742 6.518 35 2HB GLU 23 HB1 GLU 23 -10.663 -25.654 5.540 36 1HG GLU 23 HG2 GLU 23 -12.948 -26.905 7.226 37 2HG GLU 23 HG1 GLU 23 -12.907 -26.795 5.484 38 CH2 TRP 24 CH2 TRP 24 -7.113 -27.998 10.639 39 H TRP 24 HN TRP 24 -10.768 -23.959 9.208 40 HA TRP 24 HA TRP 24 -12.402 -25.723 11.010 41 1HB TRP 24 HB2 TRP 24 -10.078 -23.845 11.755 42 2HB TRP 24 HB1 TRP 24 -11.266 -24.266 12.903 43 HD1 TRP 24 HD1 TRP 24 -11.460 -26.326 13.777 44 HE1 TRP 24 HE1 TRP 24 -10.009 -28.464 13.746 45 HE3 TRP 24 HE3 TRP 24 -8.584 -25.054 10.087 46 HZ2 TRP 24 HZ2 TRP 24 -7.692 -29.400 12.151 47 HZ3 TRP 24 HZ3 TRP 24 -6.786 -26.388 9.262 48 HH2 TRP 24 HH2 TRP 24 -6.308 -28.610 10.258 49 HA PRO 25 HA PRO 25 -14.827 -22.145 9.808 50 1HB PRO 25 HB2 PRO 25 -16.851 -23.482 8.595 51 2HB PRO 25 HB1 PRO 25 -15.249 -23.341 7.818 52 1HG PRO 25 HG2 PRO 25 -16.171 -25.708 9.462 53 2HG PRO 25 HG1 PRO 25 -15.662 -25.648 7.758 54 1HD PRO 25 HD1 PRO 25 -13.806 -26.148 9.707 55 2HD PRO 25 HD2 PRO 25 -13.395 -25.099 8.321 56 H GLU 26 HN GLU 26 -15.554 -25.145 11.565 57 HA GLU 26 HA GLU 26 -17.841 -24.072 12.922 58 1HB GLU 26 HB2 GLU 26 -17.587 -25.997 14.378 59 2HB GLU 26 HB1 GLU 26 -17.136 -26.547 12.773 60 1HG GLU 26 HG2 GLU 26 -15.007 -25.533 14.650 61 2HG GLU 26 HG1 GLU 26 -15.588 -27.160 14.816 62 H LEU 27 HN LEU 27 -14.724 -22.959 12.911 63 HA LEU 27 HA LEU 27 -14.729 -22.007 15.679 64 1HB LEU 27 HB2 LEU 27 -12.641 -21.771 13.486 65 2HB LEU 27 HB1 LEU 27 -12.461 -21.078 15.074 66 HG LEU 27 HG LEU 27 -12.617 -24.012 14.416 67 1HD1 LEU 27 HD13 LEU 27 -10.459 -22.196 15.586 68 2HD1 LEU 27 HD12 LEU 27 -10.366 -23.931 15.433 69 3HD1 LEU 27 HD11 LEU 27 -10.280 -22.921 14.014 70 1HD2 LEU 27 HD22 LEU 27 -12.394 -22.610 17.120 71 2HD2 LEU 27 HD21 LEU 27 -13.742 -23.599 16.586 72 3HD2 LEU 27 HD23 LEU 27 -12.179 -24.320 16.834 73 H VAL 28 HN VAL 28 -15.624 -20.846 12.513 74 HA VAL 28 HA VAL 28 -14.868 -18.096 13.003 75 HB VAL 28 HB VAL 28 -17.132 -19.257 11.302 76 1HG1 VAL 28 HG12 VAL 28 -15.758 -16.507 11.267 77 2HG1 VAL 28 HG11 VAL 28 -16.976 -17.032 10.117 78 3HG1 VAL 28 HG13 VAL 28 -17.406 -16.776 11.795 79 1HG2 VAL 28 HG22 VAL 28 -14.282 -18.322 10.602 80 2HG2 VAL 28 HG21 VAL 28 -14.754 -20.010 10.608 81 3HG2 VAL 28 HG23 VAL 28 -15.464 -18.886 9.458 82 H GLY 29 HN GLY 29 -15.494 -16.897 14.548 83 1HA GLY 29 HA2 GLY 29 -17.285 -15.657 15.763 84 2HA GLY 29 HA1 GLY 29 -18.223 -17.146 15.802 85 H LYS 30 HN LYS 30 -15.225 -18.190 16.294 86 HA LYS 30 HA LYS 30 -15.359 -18.165 19.233 87 1HB LYS 30 HB2 LYS 30 -13.617 -19.787 17.352 88 2HB LYS 30 HB1 LYS 30 -13.825 -20.127 19.055 89 1HG LYS 30 HG2 LYS 30 -16.001 -20.349 16.955 90 2HG LYS 30 HG1 LYS 30 -15.037 -21.678 17.593 91 1HD LYS 30 HD2 LYS 30 -15.920 -20.948 19.923 92 2HD LYS 30 HD1 LYS 30 -17.207 -20.154 19.049 93 1HE LYS 30 HE2 LYS 30 -16.378 -23.101 18.858 94 2HE LYS 30 HE1 LYS 30 -17.857 -22.495 19.589 95 1HZ LYS 30 HZ3 LYS 30 -17.658 -21.422 17.015 96 2HZ LYS 30 HZ2 LYS 30 -17.394 -23.062 16.806 97 3HZ LYS 30 HZ1 LYS 30 -18.836 -22.529 17.556 98 H SER 31 HN SER 31 -13.168 -18.284 20.208 99 HA SER 31 HA SER 31 -11.296 -16.064 19.269 100 1HB SER 31 HB2 SER 31 -10.357 -16.299 21.602 101 2HB SER 31 HB1 SER 31 -12.087 -16.295 21.809 102 HG SER 31 HG1 SER 31 -11.653 -18.292 22.726 103 H VAL 32 HN VAL 32 -9.344 -16.005 19.800 104 HA VAL 32 HA VAL 32 -8.484 -17.854 17.947 105 HB VAL 32 HB VAL 32 -7.887 -15.428 18.649 106 1HG1 VAL 32 HG12 VAL 32 -7.002 -15.878 20.975 107 2HG1 VAL 32 HG11 VAL 32 -5.727 -16.887 20.336 108 3HG1 VAL 32 HG13 VAL 32 -5.719 -15.167 20.020 109 1HG2 VAL 32 HG21 VAL 32 -6.661 -16.698 16.809 110 2HG2 VAL 32 HG23 VAL 32 -5.566 -15.542 17.552 111 3HG2 VAL 32 HG22 VAL 32 -5.485 -17.250 17.956 112 H GLU 33 HN GLU 33 -8.181 -17.613 21.438 113 HA GLU 33 HA GLU 33 -6.312 -19.789 21.776 114 1HB GLU 33 HB2 GLU 33 -6.808 -19.571 24.182 115 2HB GLU 33 HB1 GLU 33 -6.875 -17.966 23.511 116 1HG GLU 33 HG2 GLU 33 -8.757 -18.183 25.054 117 2HG GLU 33 HG1 GLU 33 -9.430 -18.177 23.440 118 H GLU 34 HN GLU 34 -9.754 -19.639 21.982 119 HA GLU 34 HA GLU 34 -10.135 -22.432 22.396 120 1HB GLU 34 HB2 GLU 34 -11.969 -20.587 22.460 121 2HB GLU 34 HB1 GLU 34 -12.005 -20.714 20.731 122 1HG GLU 34 HG2 GLU 34 -12.191 -23.407 21.302 123 2HG GLU 34 HG1 GLU 34 -12.808 -22.784 22.814 124 H ALA 35 HN ALA 35 -9.960 -20.488 19.414 125 HA ALA 35 HA ALA 35 -10.219 -22.630 17.654 126 1HB ALA 35 HB2 ALA 35 -8.365 -20.180 17.535 127 2HB ALA 35 HB1 ALA 35 -8.785 -21.121 16.120 128 3HB ALA 35 HB3 ALA 35 -10.029 -20.253 17.013 129 H LYS 36 HN LYS 36 -7.024 -21.530 19.033 130 HA LYS 36 HA LYS 36 -5.447 -23.558 17.898 131 1HB LYS 36 HB2 LYS 36 -5.333 -22.090 20.515 132 2HB LYS 36 HB1 LYS 36 -4.299 -23.478 20.290 133 1HG LYS 36 HG2 LYS 36 -2.998 -22.445 18.569 134 2HG LYS 36 HG1 LYS 36 -4.170 -21.164 18.327 135 1HD LYS 36 HD2 LYS 36 -3.675 -20.142 20.442 136 2HD LYS 36 HD1 LYS 36 -2.882 -21.542 21.091 137 1HE LYS 36 HE2 LYS 36 -1.715 -19.767 18.878 138 2HE LYS 36 HE1 LYS 36 -1.364 -19.558 20.585 139 1HZ LYS 36 HZ2 LYS 36 -0.969 -22.265 19.862 140 2HZ LYS 36 HZ1 LYS 36 -0.181 -21.263 18.764 141 3HZ LYS 36 HZ3 LYS 36 0.240 -21.174 20.388 142 H LYS 37 HN LYS 37 -7.133 -23.475 20.813 143 HA LYS 37 HA LYS 37 -6.539 -25.881 21.868 144 1HB LYS 37 HB2 LYS 37 -7.704 -23.855 22.868 145 2HB LYS 37 HB1 LYS 37 -9.156 -24.366 22.058 146 1HG LYS 37 HG2 LYS 37 -9.317 -26.382 23.491 147 2HG LYS 37 HG1 LYS 37 -7.792 -25.959 24.256 148 1HD LYS 37 HD2 LYS 37 -9.548 -25.073 25.725 149 2HD LYS 37 HD1 LYS 37 -8.734 -23.727 24.956 150 1HE LYS 37 HE2 LYS 37 -10.828 -24.157 23.163 151 2HE LYS 37 HE1 LYS 37 -11.547 -24.656 24.671 152 1HZ LYS 37 HZ3 LYS 37 -10.078 -22.284 25.164 153 2HZ LYS 37 HZ2 LYS 37 -11.015 -21.932 23.885 154 3HZ LYS 37 HZ1 LYS 37 -11.738 -22.478 25.285 155 H VAL 38 HN VAL 38 -9.255 -25.084 19.926 156 HA VAL 38 HA VAL 38 -10.333 -27.770 19.565 157 HB VAL 38 HB VAL 38 -10.690 -25.269 17.862 158 1HG1 VAL 38 HG12 VAL 38 -12.330 -27.854 17.845 159 2HG1 VAL 38 HG11 VAL 38 -12.767 -26.409 16.963 160 3HG1 VAL 38 HG13 VAL 38 -11.324 -27.282 16.526 161 1HG2 VAL 38 HG23 VAL 38 -11.578 -24.870 20.077 162 2HG2 VAL 38 HG22 VAL 38 -12.877 -24.952 18.920 163 3HG2 VAL 38 HG21 VAL 38 -12.585 -26.309 19.996 164 H ILE 39 HN ILE 39 -8.571 -25.702 17.377 165 HA ILE 39 HA ILE 39 -8.517 -27.394 15.141 166 HB ILE 39 HB ILE 39 -6.455 -25.394 16.205 167 1HG1 ILE 39 HG12 ILE 39 -8.679 -25.301 14.131 168 2HG1 ILE 39 HG11 ILE 39 -8.604 -24.469 15.673 169 1HG2 ILE 39 HG23 ILE 39 -5.448 -27.026 14.523 170 2HG2 ILE 39 HG22 ILE 39 -6.789 -26.547 13.419 171 3HG2 ILE 39 HG21 ILE 39 -5.629 -25.382 13.941 172 1HD1 ILE 39 HD3 ILE 39 -6.680 -23.144 14.906 173 2HD1 ILE 39 HD2 ILE 39 -6.701 -24.037 13.359 174 3HD1 ILE 39 HD1 ILE 39 -8.105 -22.993 13.839 175 H LEU 40 HN LEU 40 -6.290 -27.188 17.823 176 HA LEU 40 HA LEU 40 -4.516 -29.187 17.007 177 1HB LEU 40 HB2 LEU 40 -5.466 -28.115 19.700 178 2HB LEU 40 HB1 LEU 40 -4.119 -29.200 19.568 179 HG LEU 40 HG LEU 40 -4.284 -26.544 18.073 180 1HD1 LEU 40 HD13 LEU 40 -4.150 -26.296 20.566 181 2HD1 LEU 40 HD12 LEU 40 -2.733 -27.333 20.568 182 3HD1 LEU 40 HD11 LEU 40 -2.672 -25.764 19.777 183 1HD2 LEU 40 HD21 LEU 40 -2.744 -28.307 17.069 184 2HD2 LEU 40 HD23 LEU 40 -1.969 -26.864 17.641 185 3HD2 LEU 40 HD22 LEU 40 -1.871 -28.351 18.589 186 H GLN 41 HN GLN 41 -7.667 -29.476 18.393 187 HA GLN 41 HA GLN 41 -7.436 -32.249 19.175 188 1HB GLN 41 HB2 GLN 41 -9.393 -30.618 19.640 189 2HB GLN 41 HB1 GLN 41 -9.989 -31.062 18.048 190 1HG GLN 41 HG2 GLN 41 -9.408 -33.601 19.042 191 2HG GLN 41 HG1 GLN 41 -9.723 -32.768 20.542 192 1HE2 GLN 41 HE21 GLN 41 -12.972 -33.030 18.165 193 2HE2 GLN 41 HE22 GLN 41 -11.555 -32.425 17.409 194 H ASP 42 HN ASP 42 -8.086 -30.619 16.352 195 HA ASP 42 HA ASP 42 -8.783 -32.866 14.634 196 1HB ASP 42 HB2 ASP 42 -8.677 -29.874 14.359 197 2HB ASP 42 HB1 ASP 42 -9.197 -30.906 13.057 198 H LYS 43 HN LYS 43 -6.210 -30.479 14.469 199 HA LYS 43 HA LYS 43 -4.873 -32.182 12.344 200 1HB LYS 43 HB2 LYS 43 -5.825 -30.009 11.704 201 2HB LYS 43 HB1 LYS 43 -4.638 -29.201 12.702 202 1HG LYS 43 HG2 LYS 43 -3.714 -29.156 10.498 203 2HG LYS 43 HG1 LYS 43 -2.866 -30.450 11.298 204 1HD LYS 43 HD2 LYS 43 -4.579 -32.119 10.272 205 2HD LYS 43 HD1 LYS 43 -5.319 -30.774 9.450 206 1HE LYS 43 HE2 LYS 43 -3.834 -31.879 7.866 207 2HE LYS 43 HE1 LYS 43 -3.071 -30.356 8.307 208 1HZ LYS 43 HZ2 LYS 43 -2.374 -32.285 10.267 209 2HZ LYS 43 HZ1 LYS 43 -1.964 -32.960 8.793 210 3HZ LYS 43 HZ3 LYS 43 -1.341 -31.534 9.314 211 HA PRO 44 HA PRO 44 -2.437 -33.139 16.256 212 1HB PRO 44 HB2 PRO 44 -1.016 -34.427 13.988 213 2HB PRO 44 HB1 PRO 44 -1.386 -35.031 15.599 214 1HG PRO 44 HG2 PRO 44 -3.009 -35.355 13.257 215 2HG PRO 44 HG1 PRO 44 -3.439 -35.786 14.913 216 1HD PRO 44 HD1 PRO 44 -4.717 -33.831 13.419 217 2HD PRO 44 HD2 PRO 44 -4.769 -33.865 15.192 218 H GLU 45 HN GLU 45 -0.928 -31.684 13.429 219 HA GLU 45 HA GLU 45 1.568 -31.152 14.806 220 1HB GLU 45 HB2 GLU 45 0.776 -30.422 12.018 221 2HB GLU 45 HB1 GLU 45 2.403 -30.835 12.553 222 1HG GLU 45 HG2 GLU 45 1.901 -32.940 11.536 223 2HG GLU 45 HG1 GLU 45 0.873 -33.245 12.917 224 H ALA 46 HN ALA 46 -1.216 -29.487 13.967 225 HA ALA 46 HA ALA 46 -0.614 -27.027 13.108 226 1HB ALA 46 HB1 ALA 46 -2.845 -27.910 13.402 227 2HB ALA 46 HB3 ALA 46 -2.737 -27.790 15.135 228 3HB ALA 46 HB2 ALA 46 -2.745 -26.342 14.160 229 H GLN 47 HN GLN 47 1.376 -26.302 13.951 230 HA GLN 47 HA GLN 47 1.597 -25.010 16.559 231 1HB GLN 47 HB2 GLN 47 3.292 -24.552 14.028 232 2HB GLN 47 HB1 GLN 47 3.753 -24.159 15.677 233 1HG GLN 47 HG2 GLN 47 3.250 -26.990 14.658 234 2HG GLN 47 HG1 GLN 47 4.834 -26.278 14.882 235 1HE2 GLN 47 HE21 GLN 47 3.074 -27.890 18.029 236 2HE2 GLN 47 HE22 GLN 47 2.515 -28.077 16.405 237 H ILE 48 HN ILE 48 -0.569 -24.018 16.122 238 HA ILE 48 HA ILE 48 -0.902 -21.917 14.169 239 HB ILE 48 HB ILE 48 -2.312 -22.600 16.591 240 1HG1 ILE 48 HG12 ILE 48 -3.670 -22.932 14.059 241 2HG1 ILE 48 HG11 ILE 48 -2.197 -23.881 14.079 242 1HG2 ILE 48 HG23 ILE 48 -2.867 -20.153 15.998 243 2HG2 ILE 48 HG22 ILE 48 -3.199 -20.670 14.355 244 3HG2 ILE 48 HG21 ILE 48 -4.237 -21.182 15.671 245 1HD1 ILE 48 HD2 ILE 48 -3.118 -24.993 16.189 246 2HD1 ILE 48 HD1 ILE 48 -4.608 -24.023 15.913 247 3HD1 ILE 48 HD3 ILE 48 -4.010 -25.098 14.681 248 H ILE 49 HN ILE 49 -0.335 -19.849 14.225 249 HA ILE 49 HA ILE 49 0.652 -18.629 16.774 250 HB ILE 49 HB ILE 49 1.385 -18.461 13.998 251 1HG1 ILE 49 HG12 ILE 49 3.716 -18.333 14.932 252 2HG1 ILE 49 HG11 ILE 49 3.039 -18.365 16.536 253 1HG2 ILE 49 HG22 ILE 49 1.850 -16.155 15.937 254 2HG2 ILE 49 HG21 ILE 49 2.638 -16.280 14.369 255 3HG2 ILE 49 HG23 ILE 49 0.905 -16.057 14.445 256 1HD1 ILE 49 HD3 ILE 49 2.725 -20.578 14.476 257 2HD1 ILE 49 HD2 ILE 49 3.818 -20.630 15.849 258 3HD1 ILE 49 HD1 ILE 49 2.097 -20.649 16.111 259 H VAL 50 HN VAL 50 -0.016 -16.328 17.040 260 HA VAL 50 HA VAL 50 -2.837 -15.981 16.279 261 HB VAL 50 HB VAL 50 -2.156 -15.626 18.584 262 1HG1 VAL 50 HG11 VAL 50 0.240 -14.962 18.275 263 2HG1 VAL 50 HG13 VAL 50 -0.288 -13.431 17.610 264 3HG1 VAL 50 HG12 VAL 50 -0.603 -13.820 19.288 265 1HG2 VAL 50 HG23 VAL 50 -2.776 -12.960 17.233 266 2HG2 VAL 50 HG22 VAL 50 -3.953 -14.156 17.751 267 3HG2 VAL 50 HG21 VAL 50 -2.997 -13.294 18.941 268 H LEU 51 HN LEU 51 -3.329 -15.146 14.427 269 HA LEU 51 HA LEU 51 -1.603 -13.058 13.187 270 1HB LEU 51 HB2 LEU 51 -3.068 -15.417 12.174 271 2HB LEU 51 HB1 LEU 51 -3.166 -14.079 11.151 272 HG LEU 51 HG LEU 51 -1.498 -15.099 10.168 273 1HD1 LEU 51 HD11 LEU 51 0.236 -13.654 12.098 274 2HD1 LEU 51 HD13 LEU 51 0.819 -14.431 10.652 275 3HD1 LEU 51 HD12 LEU 51 -0.320 -13.101 10.533 276 1HD2 LEU 51 HD21 LEU 51 -0.787 -16.696 12.534 277 2HD2 LEU 51 HD23 LEU 51 -1.640 -17.131 11.050 278 3HD2 LEU 51 HD22 LEU 51 0.082 -16.802 11.015 279 HA PRO 52 HA PRO 52 -5.638 -10.818 13.723 280 1HB PRO 52 HB2 PRO 52 -4.640 -8.243 13.428 281 2HB PRO 52 HB1 PRO 52 -4.675 -9.095 14.966 282 1HG PRO 52 HG2 PRO 52 -2.324 -8.748 13.044 283 2HG PRO 52 HG1 PRO 52 -2.331 -8.674 14.791 284 1HD PRO 52 HD1 PRO 52 -1.512 -10.933 13.483 285 2HD PRO 52 HD2 PRO 52 -2.277 -11.025 15.081 286 H VAL 53 HN VAL 53 -6.979 -10.525 11.886 287 HA VAL 53 HA VAL 53 -6.290 -11.165 9.273 288 HB VAL 53 HB VAL 53 -8.439 -9.460 10.145 289 1HG1 VAL 53 HG12 VAL 53 -7.703 -10.745 7.445 290 2HG1 VAL 53 HG11 VAL 53 -9.288 -10.011 7.717 291 3HG1 VAL 53 HG13 VAL 53 -7.836 -9.025 7.699 292 1HG2 VAL 53 HG23 VAL 53 -8.081 -12.336 9.263 293 2HG2 VAL 53 HG22 VAL 53 -8.580 -11.872 10.833 294 3HG2 VAL 53 HG21 VAL 53 -9.687 -11.652 9.501 295 H GLY 54 HN GLY 54 -5.128 -10.526 7.968 296 1HA GLY 54 HA2 GLY 54 -4.493 -8.573 6.359 297 2HA GLY 54 HA1 GLY 54 -4.470 -7.532 7.762 298 H THR 55 HN THR 55 -2.870 -9.487 9.402 299 HA THR 55 HA THR 55 -0.227 -8.779 9.201 300 HB THR 55 HB THR 55 -1.428 -11.318 9.948 301 HG1 THR 55 HG1 THR 55 -2.454 -9.899 11.371 302 1HG2 THR 55 HG22 THR 55 0.889 -11.245 10.426 303 2HG2 THR 55 HG21 THR 55 0.543 -9.778 11.396 304 3HG2 THR 55 HG23 THR 55 -0.399 -11.286 11.664 305 H ILE 56 HN ILE 56 0.477 -8.688 6.886 306 HA ILE 56 HA ILE 56 0.007 -10.686 4.985 307 HB ILE 56 HB ILE 56 2.571 -9.116 5.194 308 1HG1 ILE 56 HG12 ILE 56 0.549 -7.738 5.223 309 2HG1 ILE 56 HG11 ILE 56 1.548 -7.439 3.809 310 1HG2 ILE 56 HG21 ILE 56 1.203 -10.546 2.826 311 2HG2 ILE 56 HG23 ILE 56 2.602 -9.504 2.653 312 3HG2 ILE 56 HG22 ILE 56 2.727 -11.006 3.537 313 1HD1 ILE 56 HD3 ILE 56 -0.109 -8.900 2.497 314 2HD1 ILE 56 HD2 ILE 56 -1.081 -9.006 3.966 315 3HD1 ILE 56 HD1 ILE 56 -0.822 -7.459 3.181 316 H VAL 57 HN VAL 57 0.136 -12.580 5.456 317 HA VAL 57 HA VAL 57 2.761 -13.891 6.199 318 HB VAL 57 HB VAL 57 1.435 -16.008 6.626 319 1HG1 VAL 57 HG13 VAL 57 0.441 -13.563 8.079 320 2HG1 VAL 57 HG12 VAL 57 0.212 -15.198 8.677 321 3HG1 VAL 57 HG11 VAL 57 1.827 -14.517 8.506 322 1HG2 VAL 57 HG21 VAL 57 -0.213 -15.584 5.050 323 2HG2 VAL 57 HG23 VAL 57 -1.111 -16.005 6.520 324 3HG2 VAL 57 HG22 VAL 57 -1.033 -14.312 6.094 325 H THR 58 HN THR 58 2.698 -16.241 4.949 326 HA THR 58 HA THR 58 3.093 -15.434 2.177 327 HB THR 58 HB THR 58 3.872 -18.007 2.977 328 HG1 THR 58 HG1 THR 58 4.807 -17.739 4.757 329 1HG2 THR 58 HG22 THR 58 5.574 -15.532 2.306 330 2HG2 THR 58 HG21 THR 58 6.218 -17.158 2.387 331 3HG2 THR 58 HG23 THR 58 5.102 -16.726 1.098 332 H MET 59 HN MET 59 2.537 -16.770 0.386 333 HA MET 59 HA MET 59 -0.024 -18.205 0.701 334 1HB MET 59 HB2 MET 59 1.552 -17.601 -1.846 335 2HB MET 59 HB1 MET 59 -0.116 -18.110 -1.761 336 1HG MET 59 HG2 MET 59 -0.227 -15.737 -2.090 337 2HG MET 59 HG1 MET 59 -0.564 -15.981 -0.403 338 1HE MET 59 HE2 MET 59 1.717 -15.268 -3.048 339 2HE MET 59 HE1 MET 59 2.238 -13.651 -2.618 340 3HE MET 59 HE3 MET 59 3.285 -15.055 -2.282 341 H GLU 60 HN GLU 60 2.194 -19.218 1.863 342 HA GLU 60 HA GLU 60 3.426 -21.428 0.535 343 1HB GLU 60 HB2 GLU 60 4.616 -21.489 2.700 344 2HB GLU 60 HB1 GLU 60 4.525 -19.836 2.176 345 1HG GLU 60 HG2 GLU 60 2.449 -19.562 3.640 346 2HG GLU 60 HG1 GLU 60 2.691 -21.174 4.245 347 OH TYR 61 OH TYR 61 -3.325 -27.955 2.928 348 H TYR 61 HN TYR 61 3.588 -23.345 2.288 349 HA TYR 61 HA TYR 61 0.818 -24.100 3.190 350 1HB TYR 61 HB2 TYR 61 1.839 -25.252 0.918 351 2HB TYR 61 HB1 TYR 61 2.437 -26.360 2.181 352 HD1 TYR 61 HD1 TYR 61 0.733 -26.435 4.141 353 HD2 TYR 61 HD2 TYR 61 -0.254 -26.150 0.084 354 HE1 TYR 61 HE1 TYR 61 -1.455 -27.440 4.651 355 HE2 TYR 61 HE2 TYR 61 -2.480 -27.192 0.553 356 HH TYR 61 HH TYR 61 -3.698 -27.308 3.537 357 NH1 ARG 62 NH2 ARG 62 7.722 -23.135 7.177 358 NH2 ARG 62 NH1 ARG 62 7.189 -25.305 7.516 359 H ARG 62 HN ARG 62 1.604 -23.356 5.221 360 HA ARG 62 HA ARG 62 3.701 -25.012 6.501 361 1HB ARG 62 HB2 ARG 62 1.897 -22.881 7.729 362 2HB ARG 62 HB1 ARG 62 3.315 -23.578 8.474 363 1HG ARG 62 HG2 ARG 62 3.195 -21.941 6.016 364 2HG ARG 62 HG1 ARG 62 4.016 -21.431 7.479 365 1HD ARG 62 HD2 ARG 62 4.776 -23.482 5.368 366 2HD ARG 62 HD1 ARG 62 5.722 -22.139 5.967 367 HE ARG 62 HE ARG 62 5.070 -24.321 7.894 368 1HH1 ARG 62 HH22 ARG 62 7.304 -22.253 7.011 369 2HH1 ARG 62 HH21 ARG 62 8.704 -23.259 7.231 370 1HH2 ARG 62 HH11 ARG 62 6.397 -25.910 7.649 371 2HH2 ARG 62 HH12 ARG 62 8.121 -25.640 7.543 372 H ILE 63 HN ILE 63 2.623 -26.675 5.901 373 HA ILE 63 HA ILE 63 -0.010 -27.362 6.852 374 HB ILE 63 HB ILE 63 0.947 -28.345 4.783 375 1HG1 ILE 63 HG12 ILE 63 0.610 -30.698 5.134 376 2HG1 ILE 63 HG11 ILE 63 0.548 -30.436 6.872 377 1HG2 ILE 63 HG22 ILE 63 3.003 -29.588 6.580 378 2HG2 ILE 63 HG21 ILE 63 2.795 -29.919 4.859 379 3HG2 ILE 63 HG23 ILE 63 3.263 -28.319 5.387 380 1HD1 ILE 63 HD3 ILE 63 -1.413 -28.860 6.407 381 2HD1 ILE 63 HD2 ILE 63 -1.405 -29.409 4.747 382 3HD1 ILE 63 HD1 ILE 63 -1.761 -30.529 6.026 383 H ASP 64 HN ASP 64 2.663 -27.045 8.340 384 HA ASP 64 HA ASP 64 2.466 -28.848 10.612 385 1HB ASP 64 HB2 ASP 64 4.484 -27.334 11.234 386 2HB ASP 64 HB1 ASP 64 4.685 -28.194 9.720 387 NH1 ARG 65 NH1 ARG 65 4.052 -21.818 12.840 388 NH2 ARG 65 NH2 ARG 65 5.187 -21.286 10.990 389 H ARG 65 HN ARG 65 0.905 -26.232 9.493 390 HA ARG 65 HA ARG 65 0.088 -25.152 12.090 391 1HB ARG 65 HB2 ARG 65 2.027 -24.172 11.547 392 2HB ARG 65 HB1 ARG 65 1.578 -24.064 9.840 393 1HG ARG 65 HG2 ARG 65 -0.068 -22.252 10.484 394 2HG ARG 65 HG1 ARG 65 0.666 -22.241 12.084 395 1HD ARG 65 HD2 ARG 65 1.941 -21.596 9.393 396 2HD ARG 65 HD1 ARG 65 1.973 -20.634 10.860 397 HE ARG 65 HE ARG 65 3.498 -23.295 10.547 398 1HH1 ARG 65 HH11 ARG 65 3.216 -22.199 13.260 399 2HH1 ARG 65 HH12 ARG 65 4.781 -21.443 13.404 400 1HH2 ARG 65 HH21 ARG 65 5.247 -21.324 9.997 401 2HH2 ARG 65 HH22 ARG 65 5.884 -20.841 11.539 402 H VAL 66 HN VAL 66 -1.836 -23.976 12.261 403 HA VAL 66 HA VAL 66 -3.522 -23.877 9.814 404 HB VAL 66 HB VAL 66 -4.541 -23.737 12.648 405 1HG1 VAL 66 HG13 VAL 66 -5.801 -24.527 10.013 406 2HG1 VAL 66 HG12 VAL 66 -6.619 -24.508 11.566 407 3HG1 VAL 66 HG11 VAL 66 -6.138 -22.958 10.789 408 1HG2 VAL 66 HG21 VAL 66 -4.449 -25.974 10.714 409 2HG2 VAL 66 HG23 VAL 66 -3.588 -25.988 12.250 410 3HG2 VAL 66 HG22 VAL 66 -5.373 -25.838 12.207 411 NH1 ARG 67 NH1 ARG 67 0.944 -19.886 6.288 412 NH2 ARG 67 NH2 ARG 67 1.901 -18.913 8.039 413 H ARG 67 HN ARG 67 -3.312 -21.939 8.975 414 HA ARG 67 HA ARG 67 -2.339 -19.632 10.441 415 1HB ARG 67 HB2 ARG 67 -2.615 -20.167 7.695 416 2HB ARG 67 HB1 ARG 67 -4.004 -19.141 7.984 417 1HG ARG 67 HG2 ARG 67 -2.131 -17.810 7.248 418 2HG ARG 67 HG1 ARG 67 -2.665 -17.362 8.851 419 1HD ARG 67 HD2 ARG 67 -0.186 -17.522 8.653 420 2HD ARG 67 HD1 ARG 67 -0.789 -18.611 9.878 421 HE ARG 67 HE ARG 67 -0.610 -20.484 8.091 422 1HH1 ARG 67 HH11 ARG 67 0.139 -20.375 5.929 423 2HH1 ARG 67 HH12 ARG 67 1.762 -19.747 5.727 424 1HH2 ARG 67 HH21 ARG 67 1.835 -18.641 8.995 425 2HH2 ARG 67 HH22 ARG 67 2.716 -18.790 7.461 426 H LEU 68 HN LEU 68 -3.453 -18.244 11.811 427 HA LEU 68 HA LEU 68 -6.364 -18.522 11.737 428 1HB LEU 68 HB2 LEU 68 -5.302 -19.694 13.558 429 2HB LEU 68 HB1 LEU 68 -4.242 -18.348 13.909 430 HG LEU 68 HG LEU 68 -5.930 -17.106 14.963 431 1HD1 LEU 68 HD12 LEU 68 -7.773 -17.508 13.235 432 2HD1 LEU 68 HD11 LEU 68 -7.918 -19.141 13.870 433 3HD1 LEU 68 HD13 LEU 68 -8.283 -17.770 14.898 434 1HD2 LEU 68 HD22 LEU 68 -6.491 -20.081 15.507 435 2HD2 LEU 68 HD21 LEU 68 -5.218 -19.142 16.269 436 3HD2 LEU 68 HD23 LEU 68 -6.901 -18.796 16.611 437 H PHE 69 HN PHE 69 -6.047 -16.753 10.031 438 HA PHE 69 HA PHE 69 -5.682 -14.168 11.160 439 1HB PHE 69 HB2 PHE 69 -6.588 -15.331 8.421 440 2HB PHE 69 HB1 PHE 69 -6.808 -13.557 8.678 441 HD1 PHE 69 HD1 PHE 69 -5.350 -12.500 10.006 442 HD2 PHE 69 HD2 PHE 69 -4.178 -15.913 7.721 443 HE1 PHE 69 HE1 PHE 69 -3.116 -11.729 10.042 444 HE2 PHE 69 HE2 PHE 69 -2.064 -15.161 7.750 445 HZ PHE 69 HZ PHE 69 -1.343 -13.100 8.722 446 H VAL 70 HN VAL 70 -6.600 -13.500 12.623 447 HA VAL 70 HA VAL 70 -9.547 -13.929 13.218 448 HB VAL 70 HB VAL 70 -9.066 -13.718 15.538 449 1HG1 VAL 70 HG11 VAL 70 -8.343 -15.836 14.546 450 2HG1 VAL 70 HG13 VAL 70 -6.684 -15.250 14.386 451 3HG1 VAL 70 HG12 VAL 70 -7.466 -15.292 15.967 452 1HG2 VAL 70 HG22 VAL 70 -7.351 -11.855 15.519 453 2HG2 VAL 70 HG21 VAL 70 -6.869 -13.282 16.448 454 3HG2 VAL 70 HG23 VAL 70 -6.181 -12.985 14.855 455 H ASP 71 HN ASP 71 -10.549 -11.855 14.658 456 HA ASP 71 HA ASP 71 -9.962 -9.678 12.769 457 1HB ASP 71 HB2 ASP 71 -12.046 -8.756 13.400 458 2HB ASP 71 HB1 ASP 71 -12.262 -10.384 13.803 459 H LYS 72 HN LYS 72 -10.809 -7.853 14.583 460 HA LYS 72 HA LYS 72 -8.216 -7.020 15.702 461 1HB LYS 72 HB2 LYS 72 -9.573 -5.564 14.123 462 2HB LYS 72 HB1 LYS 72 -10.825 -5.449 15.318 463 1HG LYS 72 HG2 LYS 72 -8.369 -4.568 16.593 464 2HG LYS 72 HG1 LYS 72 -8.318 -3.939 14.970 465 1HD LYS 72 HD2 LYS 72 -9.476 -2.241 16.315 466 2HD LYS 72 HD1 LYS 72 -10.635 -2.983 15.233 467 1HE LYS 72 HE2 LYS 72 -11.682 -2.910 17.422 468 2HE LYS 72 HE1 LYS 72 -11.263 -4.591 17.130 469 1HZ LYS 72 HZ3 LYS 72 -9.039 -3.190 18.221 470 2HZ LYS 72 HZ2 LYS 72 -10.368 -3.048 19.270 471 3HZ LYS 72 HZ1 LYS 72 -9.803 -4.601 18.749 472 H LEU 73 HN LEU 73 -10.385 -8.663 16.731 473 HA LEU 73 HA LEU 73 -10.035 -8.245 19.649 474 1HB LEU 73 HB2 LEU 73 -12.512 -8.845 18.115 475 2HB LEU 73 HB1 LEU 73 -12.518 -8.710 19.873 476 HG LEU 73 HG LEU 73 -11.827 -6.541 17.861 477 1HD1 LEU 73 HD12 LEU 73 -14.432 -7.018 19.359 478 2HD1 LEU 73 HD11 LEU 73 -14.093 -5.567 18.422 479 3HD1 LEU 73 HD13 LEU 73 -14.140 -7.135 17.630 480 1HD2 LEU 73 HD23 LEU 73 -12.495 -6.357 20.873 481 2HD2 LEU 73 HD22 LEU 73 -10.888 -6.146 20.205 482 3HD2 LEU 73 HD21 LEU 73 -12.152 -4.963 19.870 483 H ASP 74 HN ASP 74 -8.691 -10.147 17.871 484 HA ASP 74 HA ASP 74 -8.446 -12.308 17.264 485 1HB ASP 74 HB2 ASP 74 -7.226 -12.990 19.091 486 2HB ASP 74 HB1 ASP 74 -7.647 -11.449 19.766 487 H ASN 75 HN ASN 75 -11.291 -11.782 17.233 488 HA ASN 75 HA ASN 75 -12.252 -14.563 17.701 489 1HB ASN 75 HB2 ASN 75 -13.637 -11.845 17.323 490 2HB ASN 75 HB1 ASN 75 -14.569 -13.342 17.351 491 1HD2 ASN 75 HD22 ASN 75 -14.642 -11.437 19.969 492 2HD2 ASN 75 HD21 ASN 75 -12.920 -11.319 19.935 493 H ILE 76 HN ILE 76 -12.695 -15.710 16.012 494 HA ILE 76 HA ILE 76 -11.229 -15.332 13.697 495 HB ILE 76 HB ILE 76 -13.205 -17.416 14.451 496 1HG1 ILE 76 HG12 ILE 76 -10.181 -16.859 14.150 497 2HG1 ILE 76 HG11 ILE 76 -11.055 -16.772 15.677 498 1HG2 ILE 76 HG23 ILE 76 -11.276 -17.129 11.986 499 2HG2 ILE 76 HG22 ILE 76 -12.217 -18.598 12.338 500 3HG2 ILE 76 HG21 ILE 76 -12.993 -17.120 11.818 501 1HD1 ILE 76 HD2 ILE 76 -11.646 -18.981 15.551 502 2HD1 ILE 76 HD1 ILE 76 -10.669 -19.157 14.063 503 3HD1 ILE 76 HD3 ILE 76 -9.898 -18.693 15.637 504 H ALA 77 HN ALA 77 -11.462 -14.397 12.242 505 HA ALA 77 HA ALA 77 -13.787 -12.981 11.318 506 1HB ALA 77 HB2 ALA 77 -11.856 -12.110 12.442 507 2HB ALA 77 HB1 ALA 77 -10.765 -12.860 11.322 508 3HB ALA 77 HB3 ALA 77 -11.763 -11.493 10.764 509 H GLN 78 HN GLN 78 -11.154 -14.821 10.067 510 HA GLN 78 HA GLN 78 -12.807 -15.404 7.596 511 1HB GLN 78 HB2 GLN 78 -10.778 -14.055 7.096 512 2HB GLN 78 HB1 GLN 78 -9.757 -15.251 7.892 513 1HG GLN 78 HG2 GLN 78 -10.263 -16.945 6.170 514 2HG GLN 78 HG1 GLN 78 -11.642 -16.042 5.567 515 1HE2 GLN 78 HE22 GLN 78 -8.618 -13.916 4.295 516 2HE2 GLN 78 HE21 GLN 78 -9.177 -13.751 5.898 517 H VAL 79 HN VAL 79 -12.397 -17.814 6.791 518 HA VAL 79 HA VAL 79 -12.452 -19.313 9.245 519 HB VAL 79 HB VAL 79 -12.405 -20.359 6.356 520 1HG1 VAL 79 HG12 VAL 79 -12.885 -21.731 9.053 521 2HG1 VAL 79 HG11 VAL 79 -13.016 -22.543 7.486 522 3HG1 VAL 79 HG13 VAL 79 -11.441 -22.058 8.073 523 1HG2 VAL 79 HG23 VAL 79 -14.514 -19.219 7.330 524 2HG2 VAL 79 HG22 VAL 79 -14.763 -20.953 7.066 525 3HG2 VAL 79 HG21 VAL 79 -14.338 -20.371 8.667 526 HA PRO 80 HA PRO 80 -8.063 -19.864 9.405 527 1HB PRO 80 HB2 PRO 80 -8.515 -21.893 11.538 528 2HB PRO 80 HB1 PRO 80 -7.762 -20.308 11.668 529 1HG PRO 80 HG2 PRO 80 -10.243 -20.624 12.738 530 2HG PRO 80 HG1 PRO 80 -9.902 -19.177 11.754 531 1HD PRO 80 HD1 PRO 80 -11.068 -21.789 10.666 532 2HD PRO 80 HD2 PRO 80 -11.937 -20.264 10.690 533 NH1 ARG 81 NH1 ARG 81 -3.988 -22.774 4.911 534 NH2 ARG 81 NH2 ARG 81 -3.962 -20.782 3.912 535 H ARG 81 HN ARG 81 -6.496 -21.554 8.789 536 HA ARG 81 HA ARG 81 -7.620 -24.122 7.933 537 1HB ARG 81 HB2 ARG 81 -6.937 -23.670 5.468 538 2HB ARG 81 HB1 ARG 81 -8.465 -23.072 6.074 539 1HG ARG 81 HG2 ARG 81 -7.693 -20.945 6.421 540 2HG ARG 81 HG1 ARG 81 -6.017 -21.432 6.409 541 1HD ARG 81 HD2 ARG 81 -7.828 -21.576 3.950 542 2HD ARG 81 HD1 ARG 81 -6.759 -20.212 4.230 543 HE ARG 81 HE ARG 81 -5.882 -22.799 3.238 544 1HH1 ARG 81 HH11 ARG 81 -4.507 -23.602 5.111 545 2HH1 ARG 81 HH12 ARG 81 -3.050 -22.663 5.239 546 1HH2 ARG 81 HH22 ARG 81 -4.477 -20.095 3.397 547 2HH2 ARG 81 HH21 ARG 81 -3.004 -20.691 4.199 548 H VAL 82 HN VAL 82 -6.056 -25.599 7.029 549 HA VAL 82 HA VAL 82 -3.464 -25.149 8.299 550 HB VAL 82 HB VAL 82 -4.104 -27.455 6.465 551 1HG1 VAL 82 HG13 VAL 82 -1.756 -26.859 7.282 552 2HG1 VAL 82 HG12 VAL 82 -2.334 -26.946 8.947 553 3HG1 VAL 82 HG11 VAL 82 -2.305 -28.409 7.992 554 1HG2 VAL 82 HG21 VAL 82 -4.712 -27.234 9.381 555 2HG2 VAL 82 HG23 VAL 82 -5.800 -27.360 8.023 556 3HG2 VAL 82 HG22 VAL 82 -4.779 -28.715 8.419 557 H GLY 83 HN GLY 83 -1.773 -24.541 7.416 558 1HA GLY 83 GLY 83 -0.241 -24.679 5.563 559 2HA GLY 83 HA1 GLY 83 -1.522 -24.218 4.458 Start of MODEL 18 Raw file had 559 H/Q atoms Start of MODEL 18 1 H LEU 20 HN LEU 20 -12.355 -32.682 4.077 2 HA LEU 20 HA LEU 20 -9.424 -33.182 3.909 3 1HB LEU 20 HB2 LEU 20 -10.545 -32.764 1.602 4 2HB LEU 20 HB1 LEU 20 -10.949 -31.165 2.182 5 HG LEU 20 HG LEU 20 -8.403 -30.771 2.560 6 1HD1 LEU 20 HD12 LEU 20 -8.298 -33.318 0.878 7 2HD1 LEU 20 HD11 LEU 20 -6.921 -32.317 1.307 8 3HD1 LEU 20 HD13 LEU 20 -7.777 -33.211 2.547 9 1HD2 LEU 20 HD21 LEU 20 -9.662 -29.892 0.585 10 2HD2 LEU 20 HD23 LEU 20 -8.003 -30.317 0.193 11 3HD2 LEU 20 HD22 LEU 20 -9.322 -31.388 -0.261 12 H LYS 21 HN LYS 21 -10.982 -32.494 6.104 13 HA LYS 21 HA LYS 21 -11.288 -29.784 6.728 14 1HB LYS 21 HB2 LYS 21 -12.272 -31.723 8.007 15 2HB LYS 21 HB1 LYS 21 -10.680 -31.996 8.714 16 1HG LYS 21 HG2 LYS 21 -10.628 -29.926 9.842 17 2HG LYS 21 HG1 LYS 21 -11.832 -29.203 8.815 18 1HD LYS 21 HD2 LYS 21 -13.606 -30.617 9.835 19 2HD LYS 21 HD1 LYS 21 -12.380 -31.462 10.767 20 1HE LYS 21 HE2 LYS 21 -13.578 -29.745 12.118 21 2HE LYS 21 HE1 LYS 21 -11.839 -29.496 12.046 22 1HZ LYS 21 HZ2 LYS 21 -13.064 -28.084 9.861 23 2HZ LYS 21 HZ1 LYS 21 -13.833 -27.638 11.285 24 3HZ LYS 21 HZ3 LYS 21 -12.138 -27.530 11.082 25 H THR 22 HN THR 22 -9.406 -29.082 5.724 26 HA THR 22 HA THR 22 -7.143 -28.666 7.653 27 HB THR 22 HB THR 22 -5.885 -27.809 5.521 28 HG1 THR 22 HG1 THR 22 -8.172 -29.000 4.275 29 1HG2 THR 22 HG23 THR 22 -6.997 -30.640 5.220 30 2HG2 THR 22 HG22 THR 22 -5.555 -30.013 4.436 31 3HG2 THR 22 HG21 THR 22 -5.586 -30.238 6.183 32 H GLU 23 HN GLU 23 -9.813 -27.844 7.746 33 HA GLU 23 HA GLU 23 -9.599 -24.904 7.864 34 1HB GLU 23 HB2 GLU 23 -11.882 -24.666 6.848 35 2HB GLU 23 HB1 GLU 23 -10.638 -25.263 5.791 36 1HG GLU 23 HG2 GLU 23 -12.545 -26.459 5.199 37 2HG GLU 23 HG1 GLU 23 -11.568 -27.621 6.064 38 CH2 TRP 24 CH2 TRP 24 -7.256 -27.904 10.742 39 H TRP 24 HN TRP 24 -11.025 -23.889 9.328 40 HA TRP 24 HA TRP 24 -12.640 -25.663 11.095 41 1HB TRP 24 HB2 TRP 24 -10.268 -23.979 12.099 42 2HB TRP 24 HB1 TRP 24 -11.507 -24.483 13.148 43 HD1 TRP 24 HD1 TRP 24 -11.780 -26.640 13.808 44 HE1 TRP 24 HE1 TRP 24 -10.201 -28.744 13.651 45 HE3 TRP 24 HE3 TRP 24 -8.785 -24.954 10.439 46 HZ2 TRP 24 HZ2 TRP 24 -7.815 -29.461 12.043 47 HZ3 TRP 24 HZ3 TRP 24 -6.914 -26.162 9.532 48 HH2 TRP 24 HH2 TRP 24 -6.438 -28.481 10.345 49 HA PRO 25 HA PRO 25 -14.843 -21.864 10.103 50 1HB PRO 25 HB2 PRO 25 -16.920 -23.092 8.842 51 2HB PRO 25 HB1 PRO 25 -15.330 -22.863 8.074 52 1HG PRO 25 HG2 PRO 25 -16.261 -25.371 9.489 53 2HG PRO 25 HG1 PRO 25 -15.709 -25.187 7.813 54 1HD PRO 25 HD1 PRO 25 -13.965 -25.852 9.731 55 2HD PRO 25 HD2 PRO 25 -13.478 -24.709 8.459 56 H GLU 26 HN GLU 26 -15.270 -24.571 12.085 57 HA GLU 26 HA GLU 26 -17.740 -23.742 13.376 58 1HB GLU 26 HB2 GLU 26 -15.526 -25.438 14.464 59 2HB GLU 26 HB1 GLU 26 -17.206 -25.526 14.976 60 1HG GLU 26 HG2 GLU 26 -16.765 -27.517 13.615 61 2HG GLU 26 HG1 GLU 26 -17.565 -26.446 12.482 62 H LEU 27 HN LEU 27 -14.421 -22.924 13.466 63 HA LEU 27 HA LEU 27 -14.466 -21.821 16.183 64 1HB LEU 27 HB2 LEU 27 -12.300 -21.946 14.026 65 2HB LEU 27 HB1 LEU 27 -12.032 -21.396 15.671 66 HG LEU 27 HG LEU 27 -12.942 -24.194 14.787 67 1HD1 LEU 27 HD11 LEU 27 -10.405 -23.573 14.501 68 2HD1 LEU 27 HD13 LEU 27 -10.404 -23.378 16.219 69 3HD1 LEU 27 HD12 LEU 27 -10.784 -24.927 15.567 70 1HD2 LEU 27 HD21 LEU 27 -12.380 -23.026 17.564 71 2HD2 LEU 27 HD23 LEU 27 -13.925 -23.606 16.998 72 3HD2 LEU 27 HD22 LEU 27 -12.620 -24.727 17.239 73 H VAL 28 HN VAL 28 -14.993 -20.593 13.032 74 HA VAL 28 HA VAL 28 -14.279 -17.873 13.313 75 HB VAL 28 HB VAL 28 -16.883 -18.965 12.136 76 1HG1 VAL 28 HG12 VAL 28 -16.804 -16.454 12.363 77 2HG1 VAL 28 HG11 VAL 28 -15.283 -16.428 11.493 78 3HG1 VAL 28 HG13 VAL 28 -16.754 -16.928 10.674 79 1HG2 VAL 28 HG23 VAL 28 -14.826 -20.109 11.087 80 2HG2 VAL 28 HG22 VAL 28 -15.666 -19.044 9.986 81 3HG2 VAL 28 HG21 VAL 28 -14.178 -18.522 10.746 82 H GLY 29 HN GLY 29 -14.944 -16.246 14.592 83 1HA GLY 29 HA1 GLY 29 -16.544 -15.088 16.040 84 2HA GLY 29 HA2 GLY 29 -17.413 -16.595 16.259 85 H LYS 30 HN LYS 30 -14.436 -17.695 16.629 86 HA LYS 30 HA LYS 30 -14.326 -17.082 19.527 87 1HB LYS 30 HB2 LYS 30 -13.164 -19.367 17.969 88 2HB LYS 30 HB1 LYS 30 -13.130 -19.259 19.723 89 1HG LYS 30 HG2 LYS 30 -15.689 -19.443 18.040 90 2HG LYS 30 HG1 LYS 30 -14.985 -20.764 18.943 91 1HD LYS 30 HD2 LYS 30 -15.211 -19.376 21.087 92 2HD LYS 30 HD1 LYS 30 -15.965 -18.092 20.161 93 1HE LYS 30 HE2 LYS 30 -17.704 -19.333 21.214 94 2HE LYS 30 HE1 LYS 30 -17.756 -19.647 19.475 95 1HZ LYS 30 HZ2 LYS 30 -15.890 -21.351 20.632 96 2HZ LYS 30 HZ1 LYS 30 -17.271 -21.551 21.568 97 3HZ LYS 30 HZ3 LYS 30 -17.372 -21.828 19.891 98 H SER 31 HN SER 31 -12.290 -17.135 20.645 99 HA SER 31 HA SER 31 -10.113 -15.706 19.239 100 1HB SER 31 HB2 SER 31 -9.114 -16.039 21.669 101 2HB SER 31 HB1 SER 31 -10.645 -15.162 21.680 102 HG SER 31 HG1 SER 31 -11.098 -16.816 22.957 103 H VAL 32 HN VAL 32 -8.206 -15.961 19.580 104 HA VAL 32 HA VAL 32 -7.838 -18.083 17.914 105 HB VAL 32 HB VAL 32 -6.839 -15.841 18.051 106 1HG1 VAL 32 HG12 VAL 32 -6.299 -15.681 20.438 107 2HG1 VAL 32 HG11 VAL 32 -5.007 -16.823 20.256 108 3HG1 VAL 32 HG13 VAL 32 -4.895 -15.260 19.501 109 1HG2 VAL 32 HG22 VAL 32 -5.552 -17.531 16.656 110 2HG2 VAL 32 HG21 VAL 32 -4.395 -16.424 17.364 111 3HG2 VAL 32 HG23 VAL 32 -4.625 -18.010 18.061 112 H GLU 33 HN GLU 33 -6.792 -17.724 21.286 113 HA GLU 33 HA GLU 33 -5.547 -20.319 21.282 114 1HB GLU 33 HB2 GLU 33 -6.647 -18.711 23.649 115 2HB GLU 33 HB1 GLU 33 -5.451 -19.987 23.749 116 1HG GLU 33 HG2 GLU 33 -5.062 -17.232 22.444 117 2HG GLU 33 HG1 GLU 33 -4.178 -17.905 23.789 118 H GLU 34 HN GLU 34 -8.783 -19.289 21.872 119 HA GLU 34 HA GLU 34 -9.805 -21.789 22.920 120 1HB GLU 34 HB2 GLU 34 -10.933 -19.483 22.865 121 2HB GLU 34 HB1 GLU 34 -11.373 -19.793 21.205 122 1HG GLU 34 HG2 GLU 34 -12.202 -21.617 23.580 123 2HG GLU 34 HG1 GLU 34 -13.205 -20.314 23.002 124 H ALA 35 HN ALA 35 -9.720 -20.435 19.566 125 HA ALA 35 HA ALA 35 -10.614 -22.860 18.353 126 1HB ALA 35 HB2 ALA 35 -8.965 -20.473 17.345 127 2HB ALA 35 HB1 ALA 35 -9.634 -21.622 16.217 128 3HB ALA 35 HB3 ALA 35 -10.693 -20.642 17.245 129 H LYS 36 HN LYS 36 -7.242 -21.784 18.977 130 HA LYS 36 HA LYS 36 -5.841 -23.739 17.611 131 1HB LYS 36 HB2 LYS 36 -5.297 -22.695 20.428 132 2HB LYS 36 HB1 LYS 36 -4.210 -23.759 19.576 133 1HG LYS 36 HG2 LYS 36 -3.829 -22.053 17.842 134 2HG LYS 36 HG1 LYS 36 -4.861 -20.942 18.721 135 1HD LYS 36 HD2 LYS 36 -3.519 -21.094 20.724 136 2HD LYS 36 HD1 LYS 36 -2.531 -22.387 20.089 137 1HE LYS 36 HE2 LYS 36 -1.468 -20.964 18.545 138 2HE LYS 36 HE1 LYS 36 -2.631 -19.659 18.769 139 1HZ LYS 36 HZ2 LYS 36 -1.674 -20.425 21.303 140 2HZ LYS 36 HZ1 LYS 36 -0.301 -20.131 20.290 141 3HZ LYS 36 HZ3 LYS 36 -1.590 -19.000 20.623 142 H LYS 37 HN LYS 37 -7.232 -23.849 20.717 143 HA LYS 37 HA LYS 37 -6.410 -26.272 21.516 144 1HB LYS 37 HB2 LYS 37 -7.691 -24.608 22.865 145 2HB LYS 37 HB1 LYS 37 -9.106 -24.988 21.913 146 1HG LYS 37 HG2 LYS 37 -8.898 -27.425 22.835 147 2HG LYS 37 HG1 LYS 37 -7.708 -26.772 23.928 148 1HD LYS 37 HD2 LYS 37 -9.842 -26.721 25.110 149 2HD LYS 37 HD1 LYS 37 -9.383 -25.081 24.695 150 1HE LYS 37 HE2 LYS 37 -11.162 -26.550 22.741 151 2HE LYS 37 HE1 LYS 37 -11.874 -25.955 24.233 152 1HZ LYS 37 HZ1 LYS 37 -10.202 -23.919 23.253 153 2HZ LYS 37 HZ3 LYS 37 -11.125 -24.325 21.946 154 3HZ LYS 37 HZ2 LYS 37 -11.895 -23.860 23.271 155 H VAL 38 HN VAL 38 -9.317 -25.543 19.882 156 HA VAL 38 HA VAL 38 -10.287 -28.251 19.428 157 HB VAL 38 HB VAL 38 -10.893 -25.664 17.942 158 1HG1 VAL 38 HG13 VAL 38 -12.287 -28.397 17.788 159 2HG1 VAL 38 HG12 VAL 38 -12.904 -26.932 17.059 160 3HG1 VAL 38 HG11 VAL 38 -11.411 -27.610 16.489 161 1HG2 VAL 38 HG21 VAL 38 -12.527 -27.148 20.044 162 2HG2 VAL 38 HG23 VAL 38 -11.693 -25.600 20.250 163 3HG2 VAL 38 HG22 VAL 38 -13.046 -25.725 19.151 164 H ILE 39 HN ILE 39 -8.593 -26.025 17.337 165 HA ILE 39 HA ILE 39 -8.510 -27.571 14.991 166 HB ILE 39 HB ILE 39 -6.489 -25.614 16.190 167 1HG1 ILE 39 HG12 ILE 39 -8.828 -25.503 14.233 168 2HG1 ILE 39 HG11 ILE 39 -8.706 -24.738 15.794 169 1HG2 ILE 39 HG23 ILE 39 -5.533 -27.129 14.309 170 2HG2 ILE 39 HG22 ILE 39 -6.870 -26.458 13.306 171 3HG2 ILE 39 HG21 ILE 39 -5.614 -25.429 13.969 172 1HD1 ILE 39 HD1 ILE 39 -6.893 -24.136 13.460 173 2HD1 ILE 39 HD3 ILE 39 -8.376 -23.195 13.985 174 3HD1 ILE 39 HD2 ILE 39 -6.985 -23.312 15.060 175 H LEU 40 HN LEU 40 -6.203 -27.381 17.598 176 HA LEU 40 HA LEU 40 -4.487 -29.397 16.664 177 1HB LEU 40 HB2 LEU 40 -5.165 -28.007 19.303 178 2HB LEU 40 HB1 LEU 40 -3.857 -29.162 19.228 179 HG LEU 40 HG LEU 40 -4.041 -26.991 17.052 180 1HD1 LEU 40 HD13 LEU 40 -3.998 -25.809 19.279 181 2HD1 LEU 40 HD12 LEU 40 -2.484 -26.621 19.626 182 3HD1 LEU 40 HD11 LEU 40 -2.614 -25.524 18.241 183 1HD2 LEU 40 HD21 LEU 40 -1.764 -28.516 18.399 184 2HD2 LEU 40 HD23 LEU 40 -2.483 -28.943 16.862 185 3HD2 LEU 40 HD22 LEU 40 -1.607 -27.453 17.024 186 H GLN 41 HN GLN 41 -7.610 -29.693 18.080 187 HA GLN 41 HA GLN 41 -7.208 -32.480 18.890 188 1HB GLN 41 HB2 GLN 41 -9.028 -31.305 20.017 189 2HB GLN 41 HB1 GLN 41 -9.695 -30.719 18.517 190 1HG GLN 41 HG2 GLN 41 -9.686 -33.719 18.934 191 2HG GLN 41 HG1 GLN 41 -10.886 -32.745 19.760 192 1HE2 GLN 41 HE21 GLN 41 -11.346 -33.435 15.832 193 2HE2 GLN 41 HE22 GLN 41 -9.960 -34.008 16.648 194 H ASP 42 HN ASP 42 -7.963 -30.797 16.104 195 HA ASP 42 HA ASP 42 -8.678 -33.146 14.443 196 1HB ASP 42 HB2 ASP 42 -9.937 -30.948 14.606 197 2HB ASP 42 HB1 ASP 42 -8.666 -30.194 13.668 198 H LYS 43 HN LYS 43 -6.376 -30.514 14.176 199 HA LYS 43 HA LYS 43 -4.574 -32.195 12.439 200 1HB LYS 43 HB2 LYS 43 -5.781 -30.292 11.340 201 2HB LYS 43 HB1 LYS 43 -4.961 -29.187 12.418 202 1HG LYS 43 HG2 LYS 43 -3.607 -29.082 10.467 203 2HG LYS 43 HG1 LYS 43 -2.781 -30.172 11.526 204 1HD LYS 43 HD2 LYS 43 -3.493 -32.157 10.352 205 2HD LYS 43 HD1 LYS 43 -4.752 -31.292 9.488 206 1HE LYS 43 HE2 LYS 43 -2.657 -31.877 8.107 207 2HE LYS 43 HE1 LYS 43 -3.096 -30.177 8.045 208 1HZ LYS 43 HZ2 LYS 43 -1.516 -30.774 10.322 209 2HZ LYS 43 HZ1 LYS 43 -0.710 -31.376 9.060 210 3HZ LYS 43 HZ3 LYS 43 -1.003 -29.710 9.102 211 HA PRO 44 HA PRO 44 -2.809 -31.370 16.877 212 1HB PRO 44 HB2 PRO 44 -1.656 -33.758 15.424 213 2HB PRO 44 HB1 PRO 44 -1.641 -33.466 17.172 214 1HG PRO 44 HG2 PRO 44 -3.709 -34.854 16.140 215 2HG PRO 44 HG1 PRO 44 -4.065 -33.581 17.302 216 1HD PRO 44 HD1 PRO 44 -4.548 -33.597 14.346 217 2HD PRO 44 HD2 PRO 44 -5.320 -32.629 15.629 218 H GLU 45 HN GLU 45 -1.016 -31.634 13.791 219 HA GLU 45 HA GLU 45 1.495 -30.752 14.722 220 1HB GLU 45 HB2 GLU 45 0.182 -30.170 12.108 221 2HB GLU 45 HB1 GLU 45 1.916 -30.251 12.342 222 1HG GLU 45 HG2 GLU 45 1.856 -32.537 11.846 223 2HG GLU 45 HG1 GLU 45 0.641 -32.833 13.084 224 H ALA 46 HN ALA 46 -1.317 -29.104 13.975 225 HA ALA 46 HA ALA 46 -0.738 -26.632 13.103 226 1HB ALA 46 HB1 ALA 46 -2.948 -27.597 13.359 227 2HB ALA 46 HB3 ALA 46 -2.834 -27.546 15.101 228 3HB ALA 46 HB2 ALA 46 -2.956 -26.053 14.203 229 H GLN 47 HN GLN 47 1.338 -26.061 14.025 230 HA GLN 47 HA GLN 47 1.432 -24.717 16.642 231 1HB GLN 47 HB2 GLN 47 3.588 -25.568 15.530 232 2HB GLN 47 HB1 GLN 47 3.332 -24.415 14.231 233 1HG GLN 47 HG2 GLN 47 3.181 -22.579 16.207 234 2HG GLN 47 HG1 GLN 47 3.923 -23.811 17.190 235 1HE2 GLN 47 HE22 GLN 47 7.077 -23.127 15.938 236 2HE2 GLN 47 HE21 GLN 47 6.141 -24.017 17.056 237 H ILE 48 HN ILE 48 -0.545 -23.708 16.147 238 HA ILE 48 HA ILE 48 -0.818 -21.742 14.059 239 HB ILE 48 HB ILE 48 -2.172 -22.249 16.539 240 1HG1 ILE 48 HG12 ILE 48 -3.299 -22.989 13.787 241 2HG1 ILE 48 HG11 ILE 48 -2.250 -24.084 14.632 242 1HG2 ILE 48 HG22 ILE 48 -2.569 -19.868 15.840 243 2HG2 ILE 48 HG21 ILE 48 -2.946 -20.420 14.219 244 3HG2 ILE 48 HG23 ILE 48 -4.009 -20.813 15.562 245 1HD1 ILE 48 HD2 ILE 48 -3.825 -24.023 16.529 246 2HD1 ILE 48 HD1 ILE 48 -4.867 -22.959 15.527 247 3HD1 ILE 48 HD3 ILE 48 -4.418 -24.558 14.965 248 H ILE 49 HN ILE 49 -0.488 -19.591 14.102 249 HA ILE 49 HA ILE 49 0.921 -18.407 16.479 250 HB ILE 49 HB ILE 49 0.819 -17.447 13.753 251 1HG1 ILE 49 HG12 ILE 49 2.012 -19.406 13.312 252 2HG1 ILE 49 HG11 ILE 49 3.282 -18.237 13.549 253 1HG2 ILE 49 HG21 ILE 49 2.628 -16.654 16.056 254 2HG2 ILE 49 HG23 ILE 49 2.922 -16.170 14.397 255 3HG2 ILE 49 HG22 ILE 49 1.475 -15.629 15.196 256 1HD1 ILE 49 HD2 ILE 49 3.495 -18.962 15.949 257 2HD1 ILE 49 HD1 ILE 49 2.294 -20.207 15.633 258 3HD1 ILE 49 HD3 ILE 49 3.843 -20.258 14.824 259 H VAL 50 HN VAL 50 0.321 -15.974 16.764 260 HA VAL 50 HA VAL 50 -2.632 -15.710 16.563 261 HB VAL 50 HB VAL 50 -0.570 -13.604 17.516 262 1HG1 VAL 50 HG11 VAL 50 -2.892 -12.717 17.047 263 2HG1 VAL 50 HG13 VAL 50 -3.539 -13.886 18.194 264 3HG1 VAL 50 HG12 VAL 50 -2.481 -12.606 18.745 265 1HG2 VAL 50 HG23 VAL 50 -2.063 -15.654 19.218 266 2HG2 VAL 50 HG22 VAL 50 -0.327 -15.648 18.916 267 3HG2 VAL 50 HG21 VAL 50 -1.059 -14.361 19.852 268 H LEU 51 HN LEU 51 -3.624 -14.839 14.915 269 HA LEU 51 HA LEU 51 -1.937 -13.298 12.978 270 1HB LEU 51 HB2 LEU 51 -3.879 -15.553 12.701 271 2HB LEU 51 HB1 LEU 51 -3.639 -14.501 11.339 272 HG LEU 51 HG LEU 51 -1.399 -15.953 12.860 273 1HD1 LEU 51 HD12 LEU 51 -2.846 -16.834 10.291 274 2HD1 LEU 51 HD11 LEU 51 -1.365 -17.558 10.931 275 3HD1 LEU 51 HD13 LEU 51 -2.840 -17.635 11.840 276 1HD2 LEU 51 HD21 LEU 51 -0.660 -13.945 11.499 277 2HD2 LEU 51 HD23 LEU 51 0.005 -15.420 10.873 278 3HD2 LEU 51 HD22 LEU 51 -1.337 -14.677 10.077 279 HA PRO 52 HA PRO 52 -5.439 -10.469 14.167 280 1HB PRO 52 HB2 PRO 52 -3.873 -8.165 13.644 281 2HB PRO 52 HB1 PRO 52 -4.002 -8.933 15.229 282 1HG PRO 52 HG2 PRO 52 -1.847 -9.389 13.101 283 2HG PRO 52 HG1 PRO 52 -1.630 -9.077 14.817 284 1HD PRO 52 HD1 PRO 52 -1.497 -11.586 13.957 285 2HD PRO 52 HD2 PRO 52 -2.417 -11.279 15.444 286 H VAL 53 HN VAL 53 -6.867 -10.001 12.552 287 HA VAL 53 HA VAL 53 -6.816 -11.013 10.084 288 HB VAL 53 HB VAL 53 -8.465 -9.145 11.340 289 1HG1 VAL 53 HG11 VAL 53 -8.362 -9.227 8.271 290 2HG1 VAL 53 HG13 VAL 53 -9.630 -8.447 9.222 291 3HG1 VAL 53 HG12 VAL 53 -8.003 -7.793 9.221 292 1HG2 VAL 53 HG22 VAL 53 -8.674 -11.342 9.200 293 2HG2 VAL 53 HG21 VAL 53 -8.852 -11.631 10.903 294 3HG2 VAL 53 HG23 VAL 53 -10.087 -10.702 10.071 295 H GLY 54 HN GLY 54 -6.026 -10.803 8.336 296 1HA GLY 54 HA1 GLY 54 -5.190 -9.544 6.333 297 2HA GLY 54 HA2 GLY 54 -4.768 -8.215 7.394 298 H THR 55 HN THR 55 -3.341 -10.050 9.314 299 HA THR 55 HA THR 55 -0.705 -9.871 8.748 300 HB THR 55 HB THR 55 -2.424 -11.517 10.507 301 HG1 THR 55 HG1 THR 55 -2.373 -9.654 11.236 302 1HG2 THR 55 HG23 THR 55 0.457 -11.288 10.432 303 2HG2 THR 55 HG22 THR 55 -0.657 -11.934 11.671 304 3HG2 THR 55 HG21 THR 55 -0.672 -12.645 10.033 305 H ILE 56 HN ILE 56 0.951 -11.396 8.319 306 HA ILE 56 HA ILE 56 0.446 -12.838 5.796 307 HB ILE 56 HB ILE 56 3.054 -12.552 7.338 308 1HG1 ILE 56 HG12 ILE 56 2.242 -10.375 6.687 309 2HG1 ILE 56 HG11 ILE 56 3.618 -10.805 5.699 310 1HG2 ILE 56 HG22 ILE 56 2.594 -13.422 4.444 311 2HG2 ILE 56 HG21 ILE 56 4.159 -13.145 5.183 312 3HG2 ILE 56 HG23 ILE 56 3.157 -14.464 5.745 313 1HD1 ILE 56 HD3 ILE 56 2.046 -11.442 3.824 314 2HD1 ILE 56 HD2 ILE 56 0.685 -10.941 4.823 315 3HD1 ILE 56 HD1 ILE 56 1.871 -9.768 4.307 316 H VAL 57 HN VAL 57 0.494 -14.850 5.343 317 HA VAL 57 HA VAL 57 1.321 -16.889 7.335 318 HB VAL 57 HB VAL 57 -1.084 -17.964 6.495 319 1HG1 VAL 57 HG11 VAL 57 0.029 -18.116 8.669 320 2HG1 VAL 57 HG13 VAL 57 -0.323 -16.427 8.997 321 3HG1 VAL 57 HG12 VAL 57 -1.608 -17.617 8.853 322 1HG2 VAL 57 HG21 VAL 57 -1.441 -14.964 7.210 323 2HG2 VAL 57 HG23 VAL 57 -1.803 -15.635 5.639 324 3HG2 VAL 57 HG22 VAL 57 -2.773 -16.045 7.034 325 H THR 58 HN THR 58 -0.470 -17.329 4.398 326 HA THR 58 HA THR 58 1.093 -19.634 3.735 327 HB THR 58 HB THR 58 -0.747 -18.687 1.838 328 HG1 THR 58 HG1 THR 58 -2.332 -19.700 3.516 329 1HG2 THR 58 HG21 THR 58 0.250 -20.989 2.054 330 2HG2 THR 58 HG23 THR 58 -0.593 -21.197 3.579 331 3HG2 THR 58 HG22 THR 58 -1.530 -21.110 2.084 332 H MET 59 HN MET 59 2.894 -19.038 3.324 333 HA MET 59 HA MET 59 3.733 -17.750 0.787 334 1HB MET 59 HB2 MET 59 4.757 -16.978 2.943 335 2HB MET 59 HB1 MET 59 5.371 -18.566 3.276 336 1HG MET 59 HG2 MET 59 6.063 -16.788 0.896 337 2HG MET 59 HG1 MET 59 7.091 -17.085 2.259 338 1HE MET 59 HE2 MET 59 8.176 -19.196 2.851 339 2HE MET 59 HE1 MET 59 8.955 -20.147 1.622 340 3HE MET 59 HE3 MET 59 9.307 -18.423 1.710 341 H GLU 60 HN GLU 60 5.179 -19.972 2.364 342 HA GLU 60 HA GLU 60 5.233 -22.212 0.510 343 1HB GLU 60 HB2 GLU 60 6.954 -22.953 1.994 344 2HB GLU 60 HB1 GLU 60 7.116 -21.245 1.996 345 1HG GLU 60 HG2 GLU 60 5.699 -21.168 4.097 346 2HG GLU 60 HG1 GLU 60 5.840 -22.908 4.218 347 OH TYR 61 OH TYR 61 -1.772 -29.032 2.269 348 H TYR 61 HN TYR 61 5.021 -24.356 2.208 349 HA TYR 61 HA TYR 61 2.056 -24.388 2.706 350 1HB TYR 61 HB2 TYR 61 3.403 -26.022 1.157 351 2HB TYR 61 HB1 TYR 61 3.793 -26.866 2.631 352 HD1 TYR 61 HD1 TYR 61 1.239 -26.297 4.140 353 HD2 TYR 61 HD2 TYR 61 2.168 -27.703 0.333 354 HE1 TYR 61 HE1 TYR 61 -0.834 -27.541 4.152 355 HE2 TYR 61 HE2 TYR 61 -0.014 -29.000 0.282 356 HH TYR 61 HH TYR 61 -2.405 -28.400 2.659 357 NH1 ARG 62 NH2 ARG 62 4.905 -18.732 6.145 358 NH2 ARG 62 NH1 ARG 62 7.027 -19.468 6.138 359 H ARG 62 HN ARG 62 1.920 -23.412 4.529 360 HA ARG 62 HA ARG 62 3.391 -24.302 6.931 361 1HB ARG 62 HB2 ARG 62 1.503 -22.027 6.231 362 2HB ARG 62 HB1 ARG 62 1.386 -22.591 7.876 363 1HG ARG 62 HG2 ARG 62 3.126 -20.886 7.915 364 2HG ARG 62 HG1 ARG 62 3.993 -22.401 7.891 365 1HD ARG 62 HD2 ARG 62 4.063 -22.233 5.386 366 2HD ARG 62 HD1 ARG 62 3.389 -20.622 5.499 367 HE ARG 62 HE ARG 62 6.009 -21.519 6.724 368 1HH1 ARG 62 HH22 ARG 62 3.946 -19.012 6.244 369 2HH1 ARG 62 HH21 ARG 62 5.157 -17.785 5.994 370 1HH2 ARG 62 HH12 ARG 62 7.615 -20.287 6.189 371 2HH2 ARG 62 HH11 ARG 62 7.427 -18.568 6.029 372 H ILE 63 HN ILE 63 2.653 -26.372 6.204 373 HA ILE 63 HA ILE 63 -0.080 -27.194 6.755 374 HB ILE 63 HB ILE 63 1.447 -28.305 5.023 375 1HG1 ILE 63 HG12 ILE 63 1.098 -30.541 5.505 376 2HG1 ILE 63 HG11 ILE 63 0.845 -30.196 7.222 377 1HG2 ILE 63 HG22 ILE 63 3.535 -27.969 6.297 378 2HG2 ILE 63 HG21 ILE 63 3.002 -29.189 7.437 379 3HG2 ILE 63 HG23 ILE 63 3.342 -29.629 5.771 380 1HD1 ILE 63 HD1 ILE 63 -1.263 -28.963 6.609 381 2HD1 ILE 63 HD3 ILE 63 -1.000 -29.378 4.926 382 3HD1 ILE 63 HD2 ILE 63 -1.323 -30.629 6.088 383 H ASP 64 HN ASP 64 2.664 -26.872 8.348 384 HA ASP 64 HA ASP 64 2.292 -28.328 10.818 385 1HB ASP 64 HB2 ASP 64 4.383 -26.817 11.264 386 2HB ASP 64 HB1 ASP 64 4.519 -27.831 9.826 387 NH1 ARG 65 NH2 ARG 65 3.918 -21.616 12.679 388 NH2 ARG 65 NH1 ARG 65 5.312 -21.431 10.978 389 H ARG 65 HN ARG 65 0.448 -25.993 9.635 390 HA ARG 65 HA ARG 65 -0.029 -24.614 12.174 391 1HB ARG 65 HB2 ARG 65 1.923 -23.781 11.294 392 2HB ARG 65 HB1 ARG 65 1.204 -23.659 9.693 393 1HG ARG 65 HG2 ARG 65 -0.173 -21.720 10.593 394 2HG ARG 65 HG1 ARG 65 0.694 -21.852 12.122 395 1HD ARG 65 HD2 ARG 65 1.756 -21.089 9.374 396 2HD ARG 65 HD1 ARG 65 2.014 -20.237 10.874 397 HE ARG 65 HE ARG 65 3.357 -22.919 10.228 398 1HH1 ARG 65 HH22 ARG 65 3.000 -21.815 13.038 399 2HH1 ARG 65 HH21 ARG 65 4.654 -21.381 13.312 400 1HH2 ARG 65 HH12 ARG 65 5.474 -21.532 10.000 401 2HH2 ARG 65 HH11 ARG 65 6.032 -21.144 11.605 402 H VAL 66 HN VAL 66 -2.087 -23.413 12.391 403 HA VAL 66 HA VAL 66 -3.741 -23.437 9.930 404 HB VAL 66 HB VAL 66 -4.814 -23.520 12.737 405 1HG1 VAL 66 HG12 VAL 66 -6.522 -22.915 10.846 406 2HG1 VAL 66 HG11 VAL 66 -5.952 -24.424 10.081 407 3HG1 VAL 66 HG13 VAL 66 -6.797 -24.518 11.605 408 1HG2 VAL 66 HG22 VAL 66 -4.403 -25.655 10.671 409 2HG2 VAL 66 HG21 VAL 66 -3.590 -25.633 12.244 410 3HG2 VAL 66 HG23 VAL 66 -5.369 -25.715 12.176 411 NH1 ARG 67 NH1 ARG 67 -4.570 -14.435 6.427 412 NH2 ARG 67 NH2 ARG 67 -5.055 -15.614 4.567 413 H ARG 67 HN ARG 67 -4.298 -21.537 9.121 414 HA ARG 67 HA ARG 67 -3.525 -19.028 10.162 415 1HB ARG 67 HB2 ARG 67 -5.250 -19.905 7.880 416 2HB ARG 67 HB1 ARG 67 -5.750 -18.353 8.504 417 1HG ARG 67 HG2 ARG 67 -3.465 -17.579 8.388 418 2HG ARG 67 HG1 ARG 67 -2.984 -19.061 7.609 419 1HD ARG 67 HD2 ARG 67 -3.300 -17.416 5.992 420 2HD ARG 67 HD1 ARG 67 -4.638 -18.546 5.771 421 HE ARG 67 HE ARG 67 -5.981 -16.553 7.054 422 1HH1 ARG 67 HH12 ARG 67 -4.509 -14.466 7.421 423 2HH1 ARG 67 HH11 ARG 67 -4.362 -13.578 5.964 424 1HH2 ARG 67 HH22 ARG 67 -5.351 -16.503 4.224 425 2HH2 ARG 67 HH21 ARG 67 -4.870 -14.851 3.961 426 H LEU 68 HN LEU 68 -4.336 -18.267 12.453 427 HA LEU 68 HA LEU 68 -7.295 -18.399 12.580 428 1HB LEU 68 HB2 LEU 68 -5.040 -18.394 14.593 429 2HB LEU 68 HB1 LEU 68 -6.593 -17.689 15.005 430 HG LEU 68 HG LEU 68 -7.738 -19.789 14.362 431 1HD1 LEU 68 HD12 LEU 68 -4.972 -20.808 13.839 432 2HD1 LEU 68 HD11 LEU 68 -6.373 -21.824 13.952 433 3HD1 LEU 68 HD13 LEU 68 -6.271 -20.646 12.695 434 1HD2 LEU 68 HD23 LEU 68 -5.559 -20.101 16.469 435 2HD2 LEU 68 HD22 LEU 68 -7.183 -19.537 16.710 436 3HD2 LEU 68 HD21 LEU 68 -6.900 -21.209 16.272 437 H PHE 69 HN PHE 69 -7.005 -16.884 10.928 438 HA PHE 69 HA PHE 69 -6.186 -14.237 11.638 439 1HB PHE 69 HB2 PHE 69 -7.570 -15.478 9.210 440 2HB PHE 69 HB1 PHE 69 -7.681 -13.648 9.435 441 HD1 PHE 69 HD1 PHE 69 -6.120 -12.502 9.770 442 HD2 PHE 69 HD2 PHE 69 -5.169 -16.457 8.994 443 HE1 PHE 69 HE1 PHE 69 -3.895 -11.809 9.534 444 HE2 PHE 69 HE2 PHE 69 -2.900 -15.826 8.780 445 HZ PHE 69 HZ PHE 69 -2.173 -13.658 8.826 446 H VAL 70 HN VAL 70 -6.838 -13.223 12.955 447 HA VAL 70 HA VAL 70 -9.680 -13.451 13.985 448 HB VAL 70 HB VAL 70 -8.815 -12.678 16.101 449 1HG1 VAL 70 HG12 VAL 70 -8.677 -15.179 15.721 450 2HG1 VAL 70 HG11 VAL 70 -7.019 -14.970 15.152 451 3HG1 VAL 70 HG13 VAL 70 -7.431 -14.561 16.777 452 1HG2 VAL 70 HG23 VAL 70 -6.064 -12.675 14.813 453 2HG2 VAL 70 HG22 VAL 70 -6.934 -11.263 15.423 454 3HG2 VAL 70 HG21 VAL 70 -6.382 -12.514 16.534 455 H ASP 71 HN ASP 71 -10.458 -11.304 15.124 456 HA ASP 71 HA ASP 71 -9.948 -9.238 13.064 457 1HB ASP 71 HB2 ASP 71 -12.141 -8.448 13.605 458 2HB ASP 71 HB1 ASP 71 -12.236 -10.116 13.787 459 H LYS 72 HN LYS 72 -11.136 -7.585 14.943 460 HA LYS 72 HA LYS 72 -8.735 -6.379 16.097 461 1HB LYS 72 HB2 LYS 72 -11.635 -5.454 16.080 462 2HB LYS 72 HB1 LYS 72 -10.321 -4.423 16.628 463 1HG LYS 72 HG2 LYS 72 -10.400 -5.523 13.790 464 2HG LYS 72 HG1 LYS 72 -11.309 -4.096 14.216 465 1HD LYS 72 HD2 LYS 72 -9.146 -2.977 14.985 466 2HD LYS 72 HD1 LYS 72 -8.276 -4.447 14.610 467 1HE LYS 72 HE2 LYS 72 -7.993 -2.818 12.776 468 2HE LYS 72 HE1 LYS 72 -8.882 -4.227 12.211 469 1HZ LYS 72 HZ1 LYS 72 -10.701 -2.429 13.338 470 2HZ LYS 72 HZ3 LYS 72 -9.775 -1.528 12.231 471 3HZ LYS 72 HZ2 LYS 72 -10.622 -2.928 11.725 472 H LEU 73 HN LEU 73 -10.905 -8.283 17.086 473 HA LEU 73 HA LEU 73 -10.089 -8.003 19.957 474 1HB LEU 73 HB2 LEU 73 -12.303 -7.454 20.545 475 2HB LEU 73 HB1 LEU 73 -12.279 -7.009 18.846 476 HG LEU 73 HG LEU 73 -13.098 -9.386 18.378 477 1HD1 LEU 73 HD12 LEU 73 -13.153 -10.004 20.893 478 2HD1 LEU 73 HD11 LEU 73 -14.244 -8.666 21.157 479 3HD1 LEU 73 HD13 LEU 73 -14.765 -10.034 20.195 480 1HD2 LEU 73 HD21 LEU 73 -14.861 -7.106 19.433 481 2HD2 LEU 73 HD23 LEU 73 -14.267 -7.267 17.787 482 3HD2 LEU 73 HD22 LEU 73 -15.435 -8.412 18.413 483 H ASP 74 HN ASP 74 -8.891 -9.522 18.418 484 HA ASP 74 HA ASP 74 -8.237 -11.570 17.697 485 1HB ASP 74 HB2 ASP 74 -7.083 -12.083 19.634 486 2HB ASP 74 HB1 ASP 74 -8.180 -11.091 20.559 487 H ASN 75 HN ASN 75 -11.336 -11.509 17.579 488 HA ASN 75 HA ASN 75 -11.700 -14.445 17.784 489 1HB ASN 75 HB2 ASN 75 -13.539 -12.043 17.681 490 2HB ASN 75 HB1 ASN 75 -14.201 -13.659 17.476 491 1HD2 ASN 75 HD21 ASN 75 -14.432 -12.334 20.601 492 2HD2 ASN 75 HD22 ASN 75 -12.905 -11.699 20.106 493 H ILE 76 HN ILE 76 -11.924 -15.676 16.148 494 HA ILE 76 HA ILE 76 -10.894 -15.230 13.660 495 HB ILE 76 HB ILE 76 -12.659 -17.381 14.711 496 1HG1 ILE 76 HG12 ILE 76 -9.727 -16.542 14.213 497 2HG1 ILE 76 HG11 ILE 76 -10.523 -16.709 15.783 498 1HG2 ILE 76 HG21 ILE 76 -10.974 -17.074 12.097 499 2HG2 ILE 76 HG23 ILE 76 -11.835 -18.552 12.577 500 3HG2 ILE 76 HG22 ILE 76 -12.699 -17.127 12.068 501 1HD1 ILE 76 HD2 ILE 76 -10.833 -18.963 15.544 502 2HD1 ILE 76 HD1 ILE 76 -9.980 -18.930 13.966 503 3HD1 ILE 76 HD3 ILE 76 -9.118 -18.511 15.483 504 H ALA 77 HN ALA 77 -11.365 -14.284 12.232 505 HA ALA 77 HA ALA 77 -13.975 -13.060 11.735 506 1HB ALA 77 HB2 ALA 77 -12.048 -11.970 12.732 507 2HB ALA 77 HB1 ALA 77 -11.010 -12.493 11.465 508 3HB ALA 77 HB3 ALA 77 -12.235 -11.225 11.130 509 H GLN 78 HN GLN 78 -11.386 -14.667 10.328 510 HA GLN 78 HA GLN 78 -12.794 -15.050 7.685 511 1HB GLN 78 HB2 GLN 78 -10.717 -13.685 7.623 512 2HB GLN 78 HB1 GLN 78 -9.846 -14.933 8.492 513 1HG GLN 78 HG2 GLN 78 -10.234 -16.477 6.453 514 2HG GLN 78 HG1 GLN 78 -10.907 -15.088 5.600 515 1HE2 GLN 78 HE21 GLN 78 -7.712 -13.699 5.046 516 2HE2 GLN 78 HE22 GLN 78 -9.391 -13.479 4.845 517 H VAL 79 HN VAL 79 -12.410 -17.495 6.888 518 HA VAL 79 HA VAL 79 -12.630 -19.051 9.334 519 HB VAL 79 HB VAL 79 -12.655 -19.964 6.390 520 1HG1 VAL 79 HG11 VAL 79 -13.163 -21.583 8.961 521 2HG1 VAL 79 HG13 VAL 79 -13.308 -22.259 7.334 522 3HG1 VAL 79 HG12 VAL 79 -11.739 -21.856 7.962 523 1HG2 VAL 79 HG23 VAL 79 -14.677 -18.795 7.498 524 2HG2 VAL 79 HG22 VAL 79 -15.026 -20.471 7.082 525 3HG2 VAL 79 HG21 VAL 79 -14.577 -20.053 8.727 526 HA PRO 80 HA PRO 80 -8.346 -20.015 9.544 527 1HB PRO 80 HB2 PRO 80 -9.024 -22.280 11.375 528 2HB PRO 80 HB1 PRO 80 -8.141 -20.803 11.752 529 1HG PRO 80 HG2 PRO 80 -10.659 -21.028 12.737 530 2HG PRO 80 HG1 PRO 80 -10.118 -19.521 11.965 531 1HD PRO 80 HD1 PRO 80 -11.533 -21.804 10.495 532 2HD PRO 80 HD2 PRO 80 -12.213 -20.192 10.746 533 NH1 ARG 81 NH1 ARG 81 -4.701 -24.394 2.191 534 NH2 ARG 81 NH2 ARG 81 -5.600 -26.195 3.154 535 H ARG 81 HN ARG 81 -6.872 -21.589 8.778 536 HA ARG 81 HA ARG 81 -7.867 -24.185 7.809 537 1HB ARG 81 HB2 ARG 81 -8.357 -23.515 5.661 538 2HB ARG 81 HB1 ARG 81 -7.922 -21.864 6.041 539 1HG ARG 81 HG2 ARG 81 -5.585 -22.277 5.449 540 2HG ARG 81 HG1 ARG 81 -5.905 -23.996 5.333 541 1HD ARG 81 HD2 ARG 81 -7.648 -22.395 3.552 542 2HD ARG 81 HD1 ARG 81 -5.969 -22.238 3.144 543 HE ARG 81 HE ARG 81 -7.575 -24.697 2.750 544 1HH1 ARG 81 HH12 ARG 81 -4.818 -23.458 1.883 545 2HH1 ARG 81 HH11 ARG 81 -3.846 -24.901 2.043 546 1HH2 ARG 81 HH22 ARG 81 -6.342 -26.706 3.602 547 2HH2 ARG 81 HH21 ARG 81 -4.727 -26.668 2.968 548 H VAL 82 HN VAL 82 -6.091 -25.548 7.169 549 HA VAL 82 HA VAL 82 -3.764 -24.944 8.807 550 HB VAL 82 HB VAL 82 -4.155 -27.431 6.934 551 1HG1 VAL 82 HG13 VAL 82 -2.297 -26.760 9.222 552 2HG1 VAL 82 HG12 VAL 82 -2.296 -28.266 8.306 553 3HG1 VAL 82 HG11 VAL 82 -1.851 -26.755 7.506 554 1HG2 VAL 82 HG22 VAL 82 -5.816 -27.301 8.542 555 2HG2 VAL 82 HG21 VAL 82 -4.728 -28.651 8.749 556 3HG2 VAL 82 HG23 VAL 82 -4.636 -27.276 9.836 557 H GLY 83 HN GLY 83 -3.754 -26.238 5.785 558 1HA GLY 83 HA1 GLY 83 -2.487 -24.396 4.040 559 2HA GLY 83 GLY 83 -1.301 -25.541 4.778 Start of MODEL 19 Raw file had 559 H/Q atoms Start of MODEL 19 1 H LEU 20 HN LEU 20 -6.937 -32.298 11.479 2 HA LEU 20 HA LEU 20 -6.584 -34.774 9.882 3 1HB LEU 20 HB2 LEU 20 -8.062 -34.656 11.913 4 2HB LEU 20 HB1 LEU 20 -9.055 -33.454 11.147 5 HG LEU 20 HG LEU 20 -8.750 -36.348 10.308 6 1HD1 LEU 20 HD11 LEU 20 -10.973 -34.639 11.541 7 2HD1 LEU 20 HD13 LEU 20 -11.132 -36.343 11.142 8 3HD1 LEU 20 HD12 LEU 20 -10.021 -35.840 12.400 9 1HD2 LEU 20 HD22 LEU 20 -10.588 -34.176 9.182 10 2HD2 LEU 20 HD21 LEU 20 -9.221 -34.840 8.306 11 3HD2 LEU 20 HD23 LEU 20 -10.576 -35.864 8.713 12 H LYS 21 HN LYS 21 -8.509 -31.862 9.931 13 HA LYS 21 HA LYS 21 -8.572 -31.499 6.918 14 1HB LYS 21 HB2 LYS 21 -10.633 -30.640 7.239 15 2HB LYS 21 HB1 LYS 21 -10.523 -31.893 8.454 16 1HG LYS 21 HG2 LYS 21 -9.885 -30.040 10.123 17 2HG LYS 21 HG1 LYS 21 -10.493 -28.933 8.914 18 1HD LYS 21 HD2 LYS 21 -12.610 -30.386 8.724 19 2HD LYS 21 HD1 LYS 21 -12.006 -31.376 10.041 20 1HE LYS 21 HE2 LYS 21 -13.530 -29.853 10.995 21 2HE LYS 21 HE1 LYS 21 -11.916 -29.297 11.450 22 1HZ LYS 21 HZ2 LYS 21 -12.532 -28.301 8.847 23 2HZ LYS 21 HZ1 LYS 21 -13.786 -27.849 9.974 24 3HZ LYS 21 HZ3 LYS 21 -12.218 -27.442 10.241 25 H THR 22 HN THR 22 -8.564 -29.558 6.201 26 HA THR 22 HA THR 22 -6.241 -28.080 7.397 27 HB THR 22 HB THR 22 -5.837 -27.290 5.042 28 HG1 THR 22 HG1 THR 22 -8.381 -28.355 4.708 29 1HG2 THR 22 HG21 THR 22 -6.219 -30.310 5.318 30 2HG2 THR 22 HG23 THR 22 -5.158 -29.496 4.169 31 3HG2 THR 22 HG22 THR 22 -4.802 -29.426 5.893 32 H GLU 23 HN GLU 23 -9.404 -27.953 7.051 33 HA GLU 23 HA GLU 23 -9.323 -24.886 7.233 34 1HB GLU 23 HB2 GLU 23 -11.283 -24.648 5.858 35 2HB GLU 23 HB1 GLU 23 -10.087 -25.589 5.031 36 1HG GLU 23 HG2 GLU 23 -12.714 -26.512 6.265 37 2HG GLU 23 HG1 GLU 23 -12.188 -26.760 4.614 38 CH2 TRP 24 CH2 TRP 24 -7.101 -27.287 10.445 39 H TRP 24 HN TRP 24 -10.605 -23.731 8.603 40 HA TRP 24 HA TRP 24 -12.680 -25.237 10.158 41 1HB TRP 24 HB2 TRP 24 -10.505 -23.556 11.517 42 2HB TRP 24 HB1 TRP 24 -11.753 -24.254 12.272 43 HD1 TRP 24 HD1 TRP 24 -12.018 -26.266 12.999 44 HE1 TRP 24 HE1 TRP 24 -10.276 -28.261 13.122 45 HE3 TRP 24 HE3 TRP 24 -8.892 -24.507 9.805 46 HZ2 TRP 24 HZ2 TRP 24 -7.674 -28.809 11.845 47 HZ3 TRP 24 HZ3 TRP 24 -6.796 -25.586 9.145 48 HH2 TRP 24 HH2 TRP 24 -6.190 -27.801 10.172 49 HA PRO 25 HA PRO 25 -14.863 -21.415 9.742 50 1HB PRO 25 HB2 PRO 25 -16.953 -22.226 8.256 51 2HB PRO 25 HB1 PRO 25 -15.336 -22.172 7.524 52 1HG PRO 25 HG2 PRO 25 -16.595 -24.650 8.779 53 2HG PRO 25 HG1 PRO 25 -16.064 -24.447 7.106 54 1HD PRO 25 HD1 PRO 25 -14.308 -25.423 9.007 55 2HD PRO 25 HD2 PRO 25 -13.726 -24.324 7.713 56 H GLU 26 HN GLU 26 -15.897 -24.638 10.770 57 HA GLU 26 HA GLU 26 -18.310 -23.980 12.068 58 1HB GLU 26 HB2 GLU 26 -18.022 -26.183 13.080 59 2HB GLU 26 HB1 GLU 26 -17.416 -26.242 11.437 60 1HG GLU 26 HG2 GLU 26 -15.673 -25.871 13.893 61 2HG GLU 26 HG1 GLU 26 -15.812 -27.365 12.985 62 H LEU 27 HN LEU 27 -15.188 -23.235 12.991 63 HA LEU 27 HA LEU 27 -15.831 -22.609 15.799 64 1HB LEU 27 HB2 LEU 27 -13.481 -23.042 16.182 65 2HB LEU 27 HB1 LEU 27 -13.978 -24.173 14.924 66 HG LEU 27 HG LEU 27 -12.956 -23.018 13.198 67 1HD1 LEU 27 HD11 LEU 27 -11.788 -21.231 15.355 68 2HD1 LEU 27 HD13 LEU 27 -11.272 -21.302 13.675 69 3HD1 LEU 27 HD12 LEU 27 -12.842 -20.674 14.056 70 1HD2 LEU 27 HD23 LEU 27 -11.376 -23.678 15.675 71 2HD2 LEU 27 HD22 LEU 27 -11.874 -24.792 14.447 72 3HD2 LEU 27 HD21 LEU 27 -10.651 -23.576 14.061 73 H VAL 28 HN VAL 28 -15.951 -21.029 13.036 74 HA VAL 28 HA VAL 28 -14.610 -18.503 13.544 75 HB VAL 28 HB VAL 28 -16.738 -19.531 11.602 76 1HG1 VAL 28 HG12 VAL 28 -15.416 -16.783 11.505 77 2HG1 VAL 28 HG11 VAL 28 -16.451 -17.483 10.269 78 3HG1 VAL 28 HG13 VAL 28 -17.108 -17.103 11.846 79 1HG2 VAL 28 HG23 VAL 28 -14.296 -20.314 11.424 80 2HG2 VAL 28 HG22 VAL 28 -14.747 -19.425 10.019 81 3HG2 VAL 28 HG21 VAL 28 -13.807 -18.647 11.263 82 H GLY 29 HN GLY 29 -15.494 -16.596 14.363 83 1HA GLY 29 HA2 GLY 29 -17.214 -15.273 15.501 84 2HA GLY 29 HA1 GLY 29 -18.224 -16.718 15.595 85 H LYS 30 HN LYS 30 -15.117 -17.466 16.404 86 HA LYS 30 HA LYS 30 -15.532 -17.164 19.331 87 1HB LYS 30 HB2 LYS 30 -14.272 -19.380 17.792 88 2HB LYS 30 HB1 LYS 30 -14.312 -19.361 19.526 89 1HG LYS 30 HG2 LYS 30 -16.968 -19.166 19.231 90 2HG LYS 30 HG1 LYS 30 -16.637 -19.650 17.586 91 1HD LYS 30 HD2 LYS 30 -16.569 -21.829 18.232 92 2HD LYS 30 HD1 LYS 30 -15.116 -21.495 19.136 93 1HE LYS 30 HE2 LYS 30 -17.968 -21.337 20.185 94 2HE LYS 30 HE1 LYS 30 -16.716 -22.487 20.641 95 1HZ LYS 30 HZ2 LYS 30 -15.591 -19.983 21.019 96 2HZ LYS 30 HZ1 LYS 30 -17.107 -19.855 21.730 97 3HZ LYS 30 HZ3 LYS 30 -15.991 -21.042 22.200 98 H SER 31 HN SER 31 -13.414 -17.422 20.637 99 HA SER 31 HA SER 31 -11.176 -15.991 19.201 100 1HB SER 31 HB2 SER 31 -10.356 -16.011 21.753 101 2HB SER 31 HB1 SER 31 -11.775 -15.023 21.434 102 HG SER 31 HG1 SER 31 -12.035 -17.818 21.977 103 H VAL 32 HN VAL 32 -9.384 -16.119 19.404 104 HA VAL 32 HA VAL 32 -8.556 -18.104 18.043 105 HB VAL 32 HB VAL 32 -7.718 -15.895 18.542 106 1HG1 VAL 32 HG11 VAL 32 -7.586 -16.080 21.023 107 2HG1 VAL 32 HG13 VAL 32 -6.209 -17.149 20.913 108 3HG1 VAL 32 HG12 VAL 32 -6.073 -15.497 20.379 109 1HG2 VAL 32 HG22 VAL 32 -6.207 -17.550 17.238 110 2HG2 VAL 32 HG21 VAL 32 -5.187 -16.520 18.222 111 3HG2 VAL 32 HG23 VAL 32 -5.543 -18.152 18.747 112 H GLU 33 HN GLU 33 -7.976 -18.176 21.545 113 HA GLU 33 HA GLU 33 -6.353 -20.538 21.443 114 1HB GLU 33 HB2 GLU 33 -8.068 -19.261 23.620 115 2HB GLU 33 HB1 GLU 33 -7.153 -20.724 23.956 116 1HG GLU 33 HG2 GLU 33 -5.889 -18.102 22.917 117 2HG GLU 33 HG1 GLU 33 -5.789 -18.666 24.566 118 H GLU 34 HN GLU 34 -9.736 -20.195 21.950 119 HA GLU 34 HA GLU 34 -10.581 -22.903 22.042 120 1HB GLU 34 HB2 GLU 34 -11.985 -20.561 20.637 121 2HB GLU 34 HB1 GLU 34 -12.736 -22.096 20.990 122 1HG GLU 34 HG2 GLU 34 -12.375 -21.641 23.453 123 2HG GLU 34 HG1 GLU 34 -11.749 -20.049 23.042 124 H ALA 35 HN ALA 35 -10.183 -20.738 19.280 125 HA ALA 35 HA ALA 35 -10.578 -22.670 17.223 126 1HB ALA 35 HB2 ALA 35 -8.608 -20.356 17.231 127 2HB ALA 35 HB1 ALA 35 -9.142 -21.220 15.783 128 3HB ALA 35 HB3 ALA 35 -10.295 -20.333 16.756 129 H LYS 36 HN LYS 36 -7.387 -21.802 18.586 130 HA LYS 36 HA LYS 36 -5.833 -23.620 17.200 131 1HB LYS 36 HB2 LYS 36 -5.633 -22.715 20.101 132 2HB LYS 36 HB1 LYS 36 -4.417 -23.721 19.342 133 1HG LYS 36 HG2 LYS 36 -3.658 -22.020 17.915 134 2HG LYS 36 HG1 LYS 36 -5.136 -21.093 18.033 135 1HD LYS 36 HD2 LYS 36 -3.261 -20.044 19.321 136 2HD LYS 36 HD1 LYS 36 -4.595 -20.459 20.364 137 1HE LYS 36 HE2 LYS 36 -3.426 -22.492 21.122 138 2HE LYS 36 HE1 LYS 36 -2.079 -22.133 20.043 139 1HZ LYS 36 HZ2 LYS 36 -2.724 -19.812 21.570 140 2HZ LYS 36 HZ1 LYS 36 -2.691 -21.020 22.609 141 3HZ LYS 36 HZ3 LYS 36 -1.280 -20.703 21.649 142 H LYS 37 HN LYS 37 -7.487 -23.959 20.136 143 HA LYS 37 HA LYS 37 -6.819 -26.537 20.679 144 1HB LYS 37 HB2 LYS 37 -7.912 -25.091 22.330 145 2HB LYS 37 HB1 LYS 37 -9.377 -25.000 21.392 146 1HG LYS 37 HG2 LYS 37 -9.582 -27.577 21.657 147 2HG LYS 37 HG1 LYS 37 -8.222 -27.463 22.746 148 1HD LYS 37 HD2 LYS 37 -9.437 -26.038 24.294 149 2HD LYS 37 HD1 LYS 37 -10.767 -25.838 23.180 150 1HE LYS 37 HE2 LYS 37 -9.942 -28.602 24.172 151 2HE LYS 37 HE1 LYS 37 -11.082 -27.610 25.068 152 1HZ LYS 37 HZ2 LYS 37 -11.853 -27.509 22.392 153 2HZ LYS 37 HZ1 LYS 37 -11.613 -29.152 22.662 154 3HZ LYS 37 HZ3 LYS 37 -12.691 -28.293 23.646 155 H VAL 38 HN VAL 38 -9.699 -25.404 19.141 156 HA VAL 38 HA VAL 38 -10.943 -27.895 18.455 157 HB VAL 38 HB VAL 38 -10.864 -25.357 16.746 158 1HG1 VAL 38 HG13 VAL 38 -11.597 -27.353 15.411 159 2HG1 VAL 38 HG12 VAL 38 -12.817 -27.713 16.617 160 3HG1 VAL 38 HG11 VAL 38 -12.939 -26.262 15.638 161 1HG2 VAL 38 HG21 VAL 38 -11.947 -24.833 18.862 162 2HG2 VAL 38 HG23 VAL 38 -13.014 -24.778 17.488 163 3HG2 VAL 38 HG22 VAL 38 -13.091 -26.138 18.627 164 H ILE 39 HN ILE 39 -8.898 -25.895 16.597 165 HA ILE 39 HA ILE 39 -8.621 -27.423 14.280 166 HB ILE 39 HB ILE 39 -6.824 -25.390 15.658 167 1HG1 ILE 39 HG12 ILE 39 -9.051 -25.405 13.586 168 2HG1 ILE 39 HG11 ILE 39 -9.120 -24.593 15.108 169 1HG2 ILE 39 HG23 ILE 39 -5.606 -26.804 13.876 170 2HG2 ILE 39 HG22 ILE 39 -7.012 -26.290 12.812 171 3HG2 ILE 39 HG21 ILE 39 -5.880 -25.119 13.404 172 1HD1 ILE 39 HD3 ILE 39 -7.247 -23.139 14.326 173 2HD1 ILE 39 HD2 ILE 39 -7.327 -24.059 12.804 174 3HD1 ILE 39 HD1 ILE 39 -8.731 -23.055 13.318 175 H LEU 40 HN LEU 40 -6.671 -27.374 17.087 176 HA LEU 40 HA LEU 40 -4.928 -29.498 16.278 177 1HB LEU 40 HB2 LEU 40 -5.644 -28.008 18.823 178 2HB LEU 40 HB1 LEU 40 -4.436 -29.255 18.820 179 HG LEU 40 HG LEU 40 -4.354 -26.977 16.791 180 1HD1 LEU 40 HD12 LEU 40 -4.266 -25.988 19.069 181 2HD1 LEU 40 HD11 LEU 40 -2.927 -27.049 19.473 182 3HD1 LEU 40 HD13 LEU 40 -2.746 -25.837 18.204 183 1HD2 LEU 40 HD21 LEU 40 -2.326 -28.951 17.948 184 2HD2 LEU 40 HD23 LEU 40 -3.029 -29.019 16.338 185 3HD2 LEU 40 HD22 LEU 40 -1.968 -27.722 16.774 186 H GLN 41 HN GLN 41 -7.958 -29.358 18.020 187 HA GLN 41 HA GLN 41 -7.910 -32.065 18.984 188 1HB GLN 41 HB2 GLN 41 -9.414 -30.050 19.594 189 2HB GLN 41 HB1 GLN 41 -10.374 -30.475 18.180 190 1HG GLN 41 HG2 GLN 41 -10.744 -32.758 19.159 191 2HG GLN 41 HG1 GLN 41 -9.774 -32.314 20.555 192 1HE2 GLN 41 HE21 GLN 41 -13.617 -31.375 20.555 193 2HE2 GLN 41 HE22 GLN 41 -12.917 -32.367 19.360 194 H ASP 42 HN ASP 42 -8.275 -30.585 16.033 195 HA ASP 42 HA ASP 42 -9.277 -32.884 14.463 196 1HB ASP 42 HB2 ASP 42 -10.239 -30.617 14.289 197 2HB ASP 42 HB1 ASP 42 -8.687 -29.991 13.765 198 H LYS 43 HN LYS 43 -6.682 -30.669 14.030 199 HA LYS 43 HA LYS 43 -4.864 -32.582 12.683 200 1HB LYS 43 HB2 LYS 43 -5.778 -30.433 11.574 201 2HB LYS 43 HB1 LYS 43 -4.908 -29.542 12.793 202 1HG LYS 43 HG2 LYS 43 -3.355 -29.464 11.055 203 2HG LYS 43 HG1 LYS 43 -2.811 -30.865 11.936 204 1HD LYS 43 HD2 LYS 43 -4.179 -32.357 10.395 205 2HD LYS 43 HD1 LYS 43 -4.750 -30.938 9.546 206 1HE LYS 43 HE2 LYS 43 -2.917 -31.982 8.316 207 2HE LYS 43 HE1 LYS 43 -2.440 -30.381 8.889 208 1HZ LYS 43 HZ2 LYS 43 -1.908 -32.221 10.956 209 2HZ LYS 43 HZ1 LYS 43 -1.260 -32.894 9.581 210 3HZ LYS 43 HZ3 LYS 43 -0.806 -31.333 10.141 211 HA PRO 44 HA PRO 44 -3.536 -32.189 17.285 212 1HB PRO 44 HB2 PRO 44 -2.113 -34.455 15.853 213 2HB PRO 44 HB1 PRO 44 -2.406 -34.280 17.589 214 1HG PRO 44 HG2 PRO 44 -4.205 -35.631 16.070 215 2HG PRO 44 HG1 PRO 44 -4.785 -34.556 17.340 216 1HD PRO 44 HD1 PRO 44 -4.938 -34.169 14.369 217 2HD PRO 44 HD2 PRO 44 -5.832 -33.363 15.682 218 H GLU 45 HN GLU 45 -1.108 -32.369 14.514 219 HA GLU 45 HA GLU 45 0.713 -30.988 16.346 220 1HB GLU 45 HB2 GLU 45 2.353 -31.733 14.846 221 2HB GLU 45 HB1 GLU 45 1.203 -33.037 14.987 222 1HG GLU 45 HG2 GLU 45 1.905 -31.354 12.596 223 2HG GLU 45 HG1 GLU 45 1.496 -33.054 12.739 224 H ALA 46 HN ALA 46 -1.706 -29.627 14.739 225 HA ALA 46 HA ALA 46 -0.510 -27.728 13.029 226 1HB ALA 46 HB1 ALA 46 -2.973 -28.165 13.138 227 2HB ALA 46 HB3 ALA 46 -3.126 -27.467 14.717 228 3HB ALA 46 HB2 ALA 46 -2.682 -26.463 13.363 229 H GLN 47 HN GLN 47 1.369 -26.731 13.779 230 HA GLN 47 HA GLN 47 1.589 -25.332 16.336 231 1HB GLN 47 HB2 GLN 47 3.596 -26.178 14.904 232 2HB GLN 47 HB1 GLN 47 3.137 -24.940 13.756 233 1HG GLN 47 HG2 GLN 47 3.490 -23.155 15.498 234 2HG GLN 47 HG1 GLN 47 4.383 -24.364 16.403 235 1HE2 GLN 47 HE22 GLN 47 6.263 -24.082 12.911 236 2HE2 GLN 47 HE21 GLN 47 4.744 -24.824 12.847 237 H ILE 48 HN ILE 48 -0.480 -24.341 16.085 238 HA ILE 48 HA ILE 48 -1.105 -22.491 13.952 239 HB ILE 48 HB ILE 48 -2.283 -22.898 16.555 240 1HG1 ILE 48 HG12 ILE 48 -2.898 -23.994 13.787 241 2HG1 ILE 48 HG11 ILE 48 -2.250 -24.896 15.092 242 1HG2 ILE 48 HG21 ILE 48 -3.030 -20.670 15.595 243 2HG2 ILE 48 HG23 ILE 48 -3.447 -21.470 14.100 244 3HG2 ILE 48 HG22 ILE 48 -4.360 -21.807 15.543 245 1HD1 ILE 48 HD2 ILE 48 -4.317 -24.642 16.342 246 2HD1 ILE 48 HD1 ILE 48 -5.026 -23.811 14.921 247 3HD1 ILE 48 HD3 ILE 48 -4.406 -25.458 14.797 248 H ILE 49 HN ILE 49 -0.860 -20.513 13.741 249 HA ILE 49 HA ILE 49 0.389 -18.780 15.832 250 HB ILE 49 HB ILE 49 0.961 -19.288 13.089 251 1HG1 ILE 49 HG12 ILE 49 3.364 -18.700 13.843 252 2HG1 ILE 49 HG11 ILE 49 2.702 -18.607 15.453 253 1HG2 ILE 49 HG22 ILE 49 1.356 -16.534 14.319 254 2HG2 ILE 49 HG21 ILE 49 2.136 -16.993 12.810 255 3HG2 ILE 49 HG23 ILE 49 0.389 -16.875 12.890 256 1HD1 ILE 49 HD3 ILE 49 2.589 -21.076 13.660 257 2HD1 ILE 49 HD2 ILE 49 3.683 -20.840 15.011 258 3HD1 ILE 49 HD1 ILE 49 1.971 -20.998 15.296 259 H VAL 50 HN VAL 50 -0.612 -16.884 16.217 260 HA VAL 50 HA VAL 50 -3.137 -16.375 14.757 261 HB VAL 50 HB VAL 50 -3.115 -16.426 17.220 262 1HG1 VAL 50 HG12 VAL 50 -0.840 -15.519 17.638 263 2HG1 VAL 50 HG11 VAL 50 -1.327 -13.948 17.029 264 3HG1 VAL 50 HG13 VAL 50 -2.045 -14.588 18.494 265 1HG2 VAL 50 HG22 VAL 50 -4.769 -14.972 16.033 266 2HG2 VAL 50 HG21 VAL 50 -4.320 -14.256 17.561 267 3HG2 VAL 50 HG23 VAL 50 -3.638 -13.635 16.072 268 H LEU 51 HN LEU 51 -3.553 -14.695 13.581 269 HA LEU 51 HA LEU 51 -1.551 -12.491 13.354 270 1HB LEU 51 HB2 LEU 51 -2.953 -13.850 11.053 271 2HB LEU 51 HB1 LEU 51 -1.901 -12.479 10.914 272 HG LEU 51 HG LEU 51 -0.302 -14.477 12.182 273 1HD1 LEU 51 HD13 LEU 51 -2.179 -16.097 11.639 274 2HD1 LEU 51 HD12 LEU 51 -1.974 -15.717 9.936 275 3HD1 LEU 51 HD11 LEU 51 -0.675 -16.502 10.835 276 1HD2 LEU 51 HD23 LEU 51 -0.517 -13.749 9.178 277 2HD2 LEU 51 HD22 LEU 51 0.460 -12.925 10.357 278 3HD2 LEU 51 HD21 LEU 51 0.824 -14.572 9.930 279 HA PRO 52 HA PRO 52 -5.499 -10.406 13.629 280 1HB PRO 52 HB2 PRO 52 -4.772 -7.811 13.315 281 2HB PRO 52 HB1 PRO 52 -4.166 -8.760 14.693 282 1HG PRO 52 HG2 PRO 52 -2.772 -8.381 11.973 283 2HG PRO 52 HG1 PRO 52 -2.130 -7.913 13.554 284 1HD PRO 52 HD1 PRO 52 -1.533 -10.350 12.480 285 2HD PRO 52 HD2 PRO 52 -1.856 -10.236 14.226 286 H VAL 53 HN VAL 53 -7.090 -9.921 12.121 287 HA VAL 53 HA VAL 53 -7.090 -10.720 9.525 288 HB VAL 53 HB VAL 53 -8.683 -8.905 11.051 289 1HG1 VAL 53 HG11 VAL 53 -8.971 -9.584 8.076 290 2HG1 VAL 53 HG13 VAL 53 -10.270 -8.807 8.998 291 3HG1 VAL 53 HG12 VAL 53 -8.775 -7.950 8.690 292 1HG2 VAL 53 HG21 VAL 53 -8.709 -11.408 11.231 293 2HG2 VAL 53 HG23 VAL 53 -10.236 -10.868 10.547 294 3HG2 VAL 53 HG22 VAL 53 -8.948 -11.521 9.518 295 H GLY 54 HN GLY 54 -6.449 -10.347 7.799 296 1HA GLY 54 HA2 GLY 54 -5.832 -8.827 5.886 297 2HA GLY 54 HA1 GLY 54 -5.432 -7.578 7.054 298 H THR 55 HN THR 55 -3.782 -9.622 8.711 299 HA THR 55 HA THR 55 -1.228 -9.227 7.441 300 HB THR 55 HB THR 55 -2.405 -10.140 9.996 301 HG1 THR 55 HG1 THR 55 -0.101 -8.963 10.074 302 1HG2 THR 55 HG22 THR 55 0.402 -10.707 9.126 303 2HG2 THR 55 HG21 THR 55 -0.359 -10.977 10.700 304 3HG2 THR 55 HG23 THR 55 -0.949 -11.845 9.280 305 H ILE 56 HN ILE 56 0.256 -11.162 7.373 306 HA ILE 56 HA ILE 56 -0.385 -12.438 4.979 307 HB ILE 56 HB ILE 56 1.812 -13.038 6.953 308 1HG1 ILE 56 HG12 ILE 56 1.626 -10.647 6.168 309 2HG1 ILE 56 HG11 ILE 56 3.097 -11.413 5.622 310 1HG2 ILE 56 HG21 ILE 56 1.532 -13.714 3.984 311 2HG2 ILE 56 HG23 ILE 56 3.013 -13.896 4.906 312 3HG2 ILE 56 HG22 ILE 56 1.621 -14.876 5.300 313 1HD1 ILE 56 HD1 ILE 56 0.581 -10.942 3.916 314 2HD1 ILE 56 HD3 ILE 56 2.067 -10.030 3.820 315 3HD1 ILE 56 HD2 ILE 56 2.051 -11.711 3.345 316 H VAL 57 HN VAL 57 -1.801 -13.646 4.646 317 HA VAL 57 HA VAL 57 -2.057 -16.420 5.764 318 HB VAL 57 HB VAL 57 -4.022 -15.885 3.795 319 1HG1 VAL 57 HG12 VAL 57 -4.148 -16.491 6.763 320 2HG1 VAL 57 HG11 VAL 57 -5.558 -16.425 5.715 321 3HG1 VAL 57 HG13 VAL 57 -4.291 -17.609 5.448 322 1HG2 VAL 57 HG23 VAL 57 -3.899 -13.936 6.187 323 2HG2 VAL 57 HG22 VAL 57 -3.777 -13.507 4.484 324 3HG2 VAL 57 HG21 VAL 57 -5.298 -14.116 5.156 325 H THR 58 HN THR 58 -1.989 -14.792 2.730 326 HA THR 58 HA THR 58 -1.499 -17.179 1.235 327 HB THR 58 HB THR 58 -1.200 -14.699 -0.073 328 HG1 THR 58 HG1 THR 58 -3.699 -14.671 0.688 329 1HG2 THR 58 HG23 THR 58 -1.998 -17.003 -0.761 330 2HG2 THR 58 HG22 THR 58 -3.379 -16.808 0.273 331 3HG2 THR 58 HG21 THR 58 -3.273 -15.820 -1.215 332 H MET 59 HN MET 59 0.010 -17.407 2.415 333 HA MET 59 HA MET 59 2.838 -16.795 1.746 334 1HB MET 59 HB2 MET 59 1.863 -16.625 4.093 335 2HB MET 59 HB1 MET 59 1.600 -18.365 4.046 336 1HG MET 59 HG2 MET 59 4.034 -18.775 4.076 337 2HG MET 59 HG1 MET 59 4.320 -17.058 4.043 338 1HE MET 59 HE1 MET 59 4.739 -15.774 5.874 339 2HE MET 59 HE3 MET 59 4.804 -16.318 7.531 340 3HE MET 59 HE2 MET 59 5.887 -17.049 6.339 341 H GLU 60 HN GLU 60 4.027 -19.133 2.492 342 HA GLU 60 HA GLU 60 3.702 -21.117 0.427 343 1HB GLU 60 HB2 GLU 60 5.624 -21.960 1.459 344 2HB GLU 60 HB1 GLU 60 5.807 -20.246 1.526 345 1HG GLU 60 HG2 GLU 60 5.837 -20.226 3.845 346 2HG GLU 60 HG1 GLU 60 4.431 -21.268 3.987 347 OH TYR 61 OH TYR 61 -2.383 -28.067 3.470 348 H TYR 61 HN TYR 61 4.303 -23.105 2.431 349 HA TYR 61 HA TYR 61 1.608 -23.606 3.582 350 1HB TYR 61 HB2 TYR 61 2.046 -24.599 1.283 351 2HB TYR 61 HB1 TYR 61 3.113 -25.745 2.086 352 HD1 TYR 61 HD1 TYR 61 -0.252 -24.295 2.162 353 HD2 TYR 61 HD2 TYR 61 2.149 -27.605 3.176 354 HE1 TYR 61 HE1 TYR 61 -2.309 -25.597 2.686 355 HE2 TYR 61 HE2 TYR 61 0.091 -28.935 3.651 356 HH TYR 61 HH TYR 61 -2.693 -28.404 2.624 357 NH1 ARG 62 NH1 ARG 62 7.175 -26.211 6.518 358 NH2 ARG 62 NH2 ARG 62 8.038 -24.765 4.967 359 H ARG 62 HN ARG 62 2.609 -23.124 5.593 360 HA ARG 62 HA ARG 62 4.389 -25.265 6.603 361 1HB ARG 62 HB2 ARG 62 3.004 -22.891 8.022 362 2HB ARG 62 HB1 ARG 62 4.075 -23.978 8.868 363 1HG ARG 62 HG2 ARG 62 4.928 -22.315 6.517 364 2HG ARG 62 HG1 ARG 62 5.186 -21.823 8.190 365 1HD ARG 62 HD2 ARG 62 7.227 -22.933 7.698 366 2HD ARG 62 HD1 ARG 62 6.266 -24.296 8.319 367 HE ARG 62 HE ARG 62 5.832 -23.908 5.498 368 1HH1 ARG 62 HH11 ARG 62 6.475 -26.336 7.237 369 2HH1 ARG 62 HH12 ARG 62 7.804 -26.936 6.284 370 1HH2 ARG 62 HH22 ARG 62 7.854 -23.837 4.609 371 2HH2 ARG 62 HH21 ARG 62 8.762 -25.348 4.621 372 H ILE 63 HN ILE 63 3.036 -26.616 5.925 373 HA ILE 63 HA ILE 63 0.408 -27.052 6.880 374 HB ILE 63 HB ILE 63 1.619 -28.473 5.119 375 1HG1 ILE 63 HG12 ILE 63 0.540 -30.596 5.629 376 2HG1 ILE 63 HG11 ILE 63 0.493 -30.185 7.344 377 1HG2 ILE 63 HG23 ILE 63 3.656 -28.833 6.445 378 2HG2 ILE 63 HG22 ILE 63 2.765 -29.826 7.580 379 3HG2 ILE 63 HG21 ILE 63 2.994 -30.375 5.928 380 1HD1 ILE 63 HD3 ILE 63 -1.176 -28.756 5.234 381 2HD1 ILE 63 HD2 ILE 63 -1.745 -29.957 6.353 382 3HD1 ILE 63 HD1 ILE 63 -1.141 -28.429 6.928 383 H ASP 64 HN ASP 64 3.195 -27.241 8.504 384 HA ASP 64 HA ASP 64 2.314 -28.719 10.843 385 1HB ASP 64 HB2 ASP 64 4.723 -27.950 11.487 386 2HB ASP 64 HB1 ASP 64 4.651 -28.806 9.951 387 NH1 ARG 65 NH2 ARG 65 3.654 -19.475 9.026 388 NH2 ARG 65 NH1 ARG 65 2.784 -20.583 7.313 389 H ARG 65 HN ARG 65 1.041 -26.137 9.756 390 HA ARG 65 HA ARG 65 0.548 -24.718 12.284 391 1HB ARG 65 HB2 ARG 65 2.561 -23.643 11.478 392 2HB ARG 65 HB1 ARG 65 1.827 -23.611 9.870 393 1HG ARG 65 HG2 ARG 65 0.079 -21.894 10.729 394 2HG ARG 65 HG1 ARG 65 0.815 -21.913 12.296 395 1HD ARG 65 HD2 ARG 65 1.520 -19.905 11.160 396 2HD ARG 65 HD1 ARG 65 2.919 -21.022 11.175 397 HE ARG 65 HE ARG 65 1.211 -21.352 8.807 398 1HH1 ARG 65 HH21 ARG 65 3.672 -19.306 9.998 399 2HH1 ARG 65 HH22 ARG 65 4.291 -19.018 8.420 400 1HH2 ARG 65 HH12 ARG 65 2.067 -21.191 6.957 401 2HH2 ARG 65 HH11 ARG 65 3.470 -20.224 6.686 402 H VAL 66 HN VAL 66 -1.728 -24.211 12.534 403 HA VAL 66 HA VAL 66 -3.055 -23.478 9.963 404 HB VAL 66 HB VAL 66 -4.383 -23.639 12.702 405 1HG1 VAL 66 HG13 VAL 66 -5.577 -23.600 9.876 406 2HG1 VAL 66 HG12 VAL 66 -6.440 -23.762 11.323 407 3HG1 VAL 66 HG11 VAL 66 -5.745 -22.164 10.928 408 1HG2 VAL 66 HG23 VAL 66 -4.637 -25.111 10.124 409 2HG2 VAL 66 HG22 VAL 66 -3.877 -25.865 11.566 410 3HG2 VAL 66 HG21 VAL 66 -5.614 -25.390 11.570 411 NH1 ARG 67 NH1 ARG 67 0.063 -17.434 5.928 412 NH2 ARG 67 NH2 ARG 67 -0.111 -19.595 5.509 413 H ARG 67 HN ARG 67 -3.793 -21.581 9.537 414 HA ARG 67 HA ARG 67 -2.397 -19.249 10.717 415 1HB ARG 67 HB2 ARG 67 -2.230 -20.174 8.271 416 2HB ARG 67 HB1 ARG 67 -3.864 -19.632 8.068 417 1HG ARG 67 HG2 ARG 67 -2.614 -17.924 7.198 418 2HG ARG 67 HG1 ARG 67 -3.045 -17.290 8.772 419 1HD ARG 67 HD2 ARG 67 -0.537 -16.963 8.405 420 2HD ARG 67 HD1 ARG 67 -0.692 -18.275 9.539 421 HE ARG 67 HE ARG 67 -0.033 -19.857 7.784 422 1HH1 ARG 67 HH12 ARG 67 0.067 -16.676 6.578 423 2HH1 ARG 67 HH11 ARG 67 0.188 -17.323 4.951 424 1HH2 ARG 67 HH21 ARG 67 -0.246 -20.505 5.894 425 2HH2 ARG 67 HH22 ARG 67 0.012 -19.498 4.529 426 H LEU 68 HN LEU 68 -3.717 -18.161 12.203 427 HA LEU 68 HA LEU 68 -6.644 -18.191 11.562 428 1HB LEU 68 HB2 LEU 68 -5.274 -17.898 14.257 429 2HB LEU 68 HB1 LEU 68 -7.000 -17.800 14.000 430 HG LEU 68 HG LEU 68 -5.297 -20.261 13.417 431 1HD1 LEU 68 HD13 LEU 68 -5.697 -19.746 15.894 432 2HD1 LEU 68 HD12 LEU 68 -7.419 -19.653 15.537 433 3HD1 LEU 68 HD11 LEU 68 -6.568 -21.176 15.362 434 1HD2 LEU 68 HD23 LEU 68 -8.317 -19.818 13.266 435 2HD2 LEU 68 HD22 LEU 68 -7.258 -20.089 11.897 436 3HD2 LEU 68 HD21 LEU 68 -7.489 -21.343 13.061 437 H PHE 69 HN PHE 69 -7.025 -16.484 10.445 438 HA PHE 69 HA PHE 69 -6.137 -13.885 11.363 439 1HB PHE 69 HB2 PHE 69 -7.673 -15.051 8.961 440 2HB PHE 69 HB1 PHE 69 -7.780 -13.250 9.194 441 HD1 PHE 69 HD1 PHE 69 -6.063 -12.117 9.903 442 HD2 PHE 69 HD2 PHE 69 -5.434 -15.934 8.224 443 HE1 PHE 69 HE1 PHE 69 -3.787 -11.557 9.558 444 HE2 PHE 69 HE2 PHE 69 -3.128 -15.395 7.876 445 HZ PHE 69 HZ PHE 69 -2.260 -13.255 8.406 446 H VAL 70 HN VAL 70 -6.620 -13.203 12.987 447 HA VAL 70 HA VAL 70 -9.478 -13.396 14.005 448 HB VAL 70 HB VAL 70 -8.670 -13.281 16.259 449 1HG1 VAL 70 HG13 VAL 70 -8.183 -15.527 15.273 450 2HG1 VAL 70 HG12 VAL 70 -6.591 -14.979 14.804 451 3HG1 VAL 70 HG11 VAL 70 -7.055 -15.021 16.517 452 1HG2 VAL 70 HG23 VAL 70 -5.880 -12.701 15.207 453 2HG2 VAL 70 HG22 VAL 70 -6.916 -11.533 16.053 454 3HG2 VAL 70 HG21 VAL 70 -6.369 -12.986 16.884 455 H ASP 71 HN ASP 71 -10.019 -11.426 15.576 456 HA ASP 71 HA ASP 71 -9.406 -9.059 13.869 457 1HB ASP 71 HB2 ASP 71 -11.562 -8.168 14.597 458 2HB ASP 71 HB1 ASP 71 -11.715 -9.771 14.301 459 H LYS 72 HN LYS 72 -10.458 -7.565 15.931 460 HA LYS 72 HA LYS 72 -7.948 -7.109 17.469 461 1HB LYS 72 HB2 LYS 72 -9.118 -5.286 16.029 462 2HB LYS 72 HB1 LYS 72 -10.262 -5.161 17.351 463 1HG LYS 72 HG2 LYS 72 -8.652 -3.452 17.781 464 2HG LYS 72 HG1 LYS 72 -8.226 -4.710 18.897 465 1HD LYS 72 HD2 LYS 72 -6.788 -4.115 16.239 466 2HD LYS 72 HD1 LYS 72 -6.222 -3.662 17.812 467 1HE LYS 72 HE2 LYS 72 -4.881 -5.502 17.393 468 2HE LYS 72 HE1 LYS 72 -6.151 -6.250 18.338 469 1HZ LYS 72 HZ3 LYS 72 -6.936 -6.182 15.626 470 2HZ LYS 72 HZ2 LYS 72 -5.368 -6.805 15.684 471 3HZ LYS 72 HZ1 LYS 72 -6.624 -7.613 16.462 472 H LEU 73 HN LEU 73 -10.256 -8.700 17.992 473 HA LEU 73 HA LEU 73 -10.159 -8.730 20.958 474 1HB LEU 73 HB2 LEU 73 -12.477 -9.005 19.055 475 2HB LEU 73 HB1 LEU 73 -12.628 -9.362 20.773 476 HG LEU 73 HG LEU 73 -11.611 -6.776 19.653 477 1HD1 LEU 73 HD13 LEU 73 -14.463 -7.494 20.524 478 2HD1 LEU 73 HD12 LEU 73 -13.951 -5.856 20.138 479 3HD1 LEU 73 HD11 LEU 73 -13.945 -7.100 18.892 480 1HD2 LEU 73 HD21 LEU 73 -12.853 -7.633 22.363 481 2HD2 LEU 73 HD23 LEU 73 -11.149 -7.295 22.144 482 3HD2 LEU 73 HD22 LEU 73 -12.314 -5.994 22.060 483 H ASP 74 HN ASP 74 -8.534 -10.199 19.164 484 HA ASP 74 HA ASP 74 -8.078 -12.255 18.262 485 1HB ASP 74 HB2 ASP 74 -7.183 -13.256 20.212 486 2HB ASP 74 HB1 ASP 74 -7.438 -11.663 20.815 487 H ASN 75 HN ASN 75 -10.873 -11.810 17.966 488 HA ASN 75 HA ASN 75 -11.842 -14.614 18.117 489 1HB ASN 75 HB2 ASN 75 -13.257 -11.947 17.790 490 2HB ASN 75 HB1 ASN 75 -14.128 -13.451 17.531 491 1HD2 ASN 75 HD21 ASN 75 -14.714 -11.758 20.231 492 2HD2 ASN 75 HD22 ASN 75 -13.012 -11.632 20.488 493 H ILE 76 HN ILE 76 -12.514 -15.579 16.430 494 HA ILE 76 HA ILE 76 -11.116 -15.150 14.001 495 HB ILE 76 HB ILE 76 -12.945 -17.286 14.936 496 1HG1 ILE 76 HG12 ILE 76 -10.039 -16.287 14.974 497 2HG1 ILE 76 HG11 ILE 76 -11.077 -16.780 16.333 498 1HG2 ILE 76 HG22 ILE 76 -11.018 -16.934 12.544 499 2HG2 ILE 76 HG21 ILE 76 -11.814 -18.470 12.903 500 3HG2 ILE 76 HG23 ILE 76 -12.746 -17.113 12.354 501 1HD1 ILE 76 HD1 ILE 76 -11.230 -18.859 15.721 502 2HD1 ILE 76 HD3 ILE 76 -10.145 -18.617 14.313 503 3HD1 ILE 76 HD2 ILE 76 -9.516 -18.423 15.970 504 H ALA 77 HN ALA 77 -11.623 -13.648 13.323 505 HA ALA 77 HA ALA 77 -14.065 -12.646 12.310 506 1HB ALA 77 HB2 ALA 77 -11.014 -12.231 12.227 507 2HB ALA 77 HB1 ALA 77 -12.114 -10.886 11.783 508 3HB ALA 77 HB3 ALA 77 -12.072 -11.552 13.413 509 H GLN 78 HN GLN 78 -11.282 -14.361 11.185 510 HA GLN 78 HA GLN 78 -12.795 -15.215 8.753 511 1HB GLN 78 HB2 GLN 78 -9.873 -14.725 9.119 512 2HB GLN 78 HB1 GLN 78 -10.526 -15.493 7.675 513 1HG GLN 78 HG2 GLN 78 -11.992 -13.412 7.312 514 2HG GLN 78 HG1 GLN 78 -11.162 -12.633 8.640 515 1HE2 GLN 78 HE22 GLN 78 -8.275 -13.282 6.056 516 2HE2 GLN 78 HE21 GLN 78 -8.792 -14.465 7.178 517 H VAL 79 HN VAL 79 -13.073 -17.138 8.222 518 HA VAL 79 HA VAL 79 -12.791 -19.470 9.554 519 HB VAL 79 HB VAL 79 -12.758 -19.117 6.536 520 1HG1 VAL 79 HG13 VAL 79 -13.213 -21.504 8.230 521 2HG1 VAL 79 HG12 VAL 79 -13.576 -21.495 6.472 522 3HG1 VAL 79 HG11 VAL 79 -11.926 -21.206 6.998 523 1HG2 VAL 79 HG23 VAL 79 -14.591 -18.160 7.515 524 2HG2 VAL 79 HG22 VAL 79 -14.963 -19.527 6.478 525 3HG2 VAL 79 HG21 VAL 79 -15.117 -19.726 8.203 526 HA PRO 80 HA PRO 80 -9.100 -20.308 6.041 527 1HB PRO 80 HB2 PRO 80 -7.780 -18.850 8.289 528 2HB PRO 80 HB1 PRO 80 -7.162 -19.094 6.645 529 1HG PRO 80 HG2 PRO 80 -8.881 -16.941 7.331 530 2HG PRO 80 HG1 PRO 80 -8.751 -17.574 5.685 531 1HD PRO 80 HD1 PRO 80 -11.229 -17.800 7.211 532 2HD PRO 80 HD2 PRO 80 -10.885 -18.876 5.943 533 NH1 ARG 81 NH1 ARG 81 -3.683 -20.869 2.928 534 NH2 ARG 81 NH2 ARG 81 -3.035 -22.781 1.938 535 H ARG 81 HN ARG 81 -6.468 -21.026 7.346 536 HA ARG 81 HA ARG 81 -7.250 -23.732 7.744 537 1HB ARG 81 HB2 ARG 81 -6.217 -24.300 5.379 538 2HB ARG 81 HB1 ARG 81 -7.869 -23.750 5.525 539 1HG ARG 81 HG2 ARG 81 -7.358 -21.614 4.855 540 2HG ARG 81 HG1 ARG 81 -5.696 -21.751 5.402 541 1HD ARG 81 HD2 ARG 81 -6.467 -23.543 3.108 542 2HD ARG 81 HD1 ARG 81 -6.297 -21.838 2.717 543 HE ARG 81 HE ARG 81 -4.138 -23.387 4.180 544 1HH1 ARG 81 HH12 ARG 81 -4.306 -20.541 3.632 545 2HH1 ARG 81 HH11 ARG 81 -3.090 -20.273 2.399 546 1HH2 ARG 81 HH21 ARG 81 -3.186 -23.764 1.954 547 2HH2 ARG 81 HH22 ARG 81 -2.395 -22.350 1.311 548 H VAL 82 HN VAL 82 -5.459 -25.153 6.944 549 HA VAL 82 HA VAL 82 -3.042 -24.411 8.418 550 HB VAL 82 HB VAL 82 -3.403 -26.904 6.706 551 1HG1 VAL 82 HG12 VAL 82 -1.888 -26.009 9.185 552 2HG1 VAL 82 HG11 VAL 82 -1.742 -27.607 8.494 553 3HG1 VAL 82 HG13 VAL 82 -1.152 -26.187 7.593 554 1HG2 VAL 82 HG21 VAL 82 -5.150 -26.451 8.676 555 2HG2 VAL 82 HG23 VAL 82 -4.315 -28.023 8.618 556 3HG2 VAL 82 HG22 VAL 82 -3.799 -26.771 9.709 557 H GLY 83 HN GLY 83 -1.080 -24.110 7.686 558 1HA GLY 83 HA1 GLY 83 0.492 -24.414 5.745 559 2HA GLY 83 GLY 83 -0.653 -23.524 4.774 Start of MODEL 20 Raw file had 559 H/Q atoms Start of MODEL 20 1 H LEU 20 HN LEU 20 -9.528 -35.535 7.106 2 HA LEU 20 HA LEU 20 -9.052 -34.524 4.622 3 1HB LEU 20 HB2 LEU 20 -11.568 -35.132 4.316 4 2HB LEU 20 HB1 LEU 20 -11.941 -33.752 5.307 5 HG LEU 20 HG LEU 20 -12.132 -33.365 2.797 6 1HD1 LEU 20 HD13 LEU 20 -11.900 -31.464 4.359 7 2HD1 LEU 20 HD12 LEU 20 -10.152 -31.572 4.281 8 3HD1 LEU 20 HD11 LEU 20 -11.060 -31.132 2.859 9 1HD2 LEU 20 HD21 LEU 20 -10.083 -34.614 2.104 10 2HD2 LEU 20 HD23 LEU 20 -10.061 -32.960 1.527 11 3HD2 LEU 20 HD22 LEU 20 -9.083 -33.410 2.901 12 H LYS 21 HN LYS 21 -10.978 -33.503 7.284 13 HA LYS 21 HA LYS 21 -10.859 -31.120 7.979 14 1HB LYS 21 HB2 LYS 21 -10.789 -33.486 9.460 15 2HB LYS 21 HB1 LYS 21 -9.528 -32.532 10.209 16 1HG LYS 21 HG2 LYS 21 -12.396 -31.614 9.732 17 2HG LYS 21 HG1 LYS 21 -11.645 -32.010 11.275 18 1HD LYS 21 HD2 LYS 21 -9.955 -30.156 10.903 19 2HD LYS 21 HD1 LYS 21 -10.773 -29.670 9.480 20 1HE LYS 21 HE2 LYS 21 -12.271 -29.857 12.080 21 2HE LYS 21 HE1 LYS 21 -11.441 -28.408 11.543 22 1HZ LYS 21 HZ2 LYS 21 -12.869 -29.301 9.309 23 2HZ LYS 21 HZ1 LYS 21 -13.961 -29.310 10.674 24 3HZ LYS 21 HZ3 LYS 21 -13.093 -27.956 10.202 25 H THR 22 HN THR 22 -9.379 -30.143 6.642 26 HA THR 22 HA THR 22 -6.924 -29.276 8.158 27 HB THR 22 HB THR 22 -6.106 -28.608 5.685 28 HG1 THR 22 HG1 THR 22 -7.834 -30.786 5.212 29 1HG2 THR 22 HG22 THR 22 -6.408 -31.592 6.382 30 2HG2 THR 22 HG21 THR 22 -5.222 -30.880 5.298 31 3HG2 THR 22 HG23 THR 22 -5.140 -30.571 7.027 32 H GLU 23 HN GLU 23 -9.926 -28.528 7.814 33 HA GLU 23 HA GLU 23 -9.336 -25.585 7.756 34 1HB GLU 23 HB2 GLU 23 -11.381 -25.107 6.547 35 2HB GLU 23 HB1 GLU 23 -10.336 -26.190 5.694 36 1HG GLU 23 HG2 GLU 23 -13.121 -26.568 6.065 37 2HG GLU 23 HG1 GLU 23 -12.025 -27.748 5.411 38 CH2 TRP 24 CH2 TRP 24 -6.894 -28.089 11.104 39 H TRP 24 HN TRP 24 -10.611 -24.217 9.223 40 HA TRP 24 HA TRP 24 -12.470 -25.797 10.974 41 1HB TRP 24 HB2 TRP 24 -10.289 -23.966 12.202 42 2HB TRP 24 HB1 TRP 24 -11.504 -24.753 12.952 43 HD1 TRP 24 HD1 TRP 24 -11.591 -26.711 13.804 44 HE1 TRP 24 HE1 TRP 24 -9.880 -28.726 13.799 45 HE3 TRP 24 HE3 TRP 24 -8.398 -25.189 10.264 46 HZ2 TRP 24 HZ2 TRP 24 -7.597 -29.457 12.613 47 HZ3 TRP 24 HZ3 TRP 24 -6.465 -26.539 9.681 48 HH2 TRP 24 HH2 TRP 24 -6.038 -28.692 10.854 49 HA PRO 25 HA PRO 25 -14.740 -22.079 9.994 50 1HB PRO 25 HB2 PRO 25 -16.818 -23.268 8.765 51 2HB PRO 25 HB1 PRO 25 -15.231 -23.131 7.971 52 1HG PRO 25 HG2 PRO 25 -16.261 -25.561 9.455 53 2HG PRO 25 HG1 PRO 25 -15.680 -25.412 7.784 54 1HD PRO 25 HD1 PRO 25 -13.962 -26.118 9.785 55 2HD PRO 25 HD2 PRO 25 -13.429 -25.134 8.420 56 H GLU 26 HN GLU 26 -15.522 -25.151 11.559 57 HA GLU 26 HA GLU 26 -17.866 -24.573 12.939 58 1HB GLU 26 HB2 GLU 26 -15.398 -26.021 13.918 59 2HB GLU 26 HB1 GLU 26 -17.002 -26.263 14.596 60 1HG GLU 26 HG2 GLU 26 -17.216 -27.974 13.031 61 2HG GLU 26 HG1 GLU 26 -17.277 -26.768 11.769 62 H LEU 27 HN LEU 27 -14.629 -23.508 13.543 63 HA LEU 27 HA LEU 27 -15.341 -22.196 16.050 64 1HB LEU 27 HB2 LEU 27 -12.925 -22.311 16.458 65 2HB LEU 27 HB1 LEU 27 -13.738 -23.782 15.943 66 HG LEU 27 HG LEU 27 -12.753 -23.613 13.768 67 1HD1 LEU 27 HD12 LEU 27 -10.933 -21.715 15.287 68 2HD1 LEU 27 HD11 LEU 27 -10.366 -22.533 13.855 69 3HD1 LEU 27 HD13 LEU 27 -11.716 -21.376 13.761 70 1HD2 LEU 27 HD23 LEU 27 -12.221 -25.142 15.699 71 2HD2 LEU 27 HD22 LEU 27 -10.752 -24.757 14.811 72 3HD2 LEU 27 HD21 LEU 27 -11.117 -23.961 16.319 73 H VAL 28 HN VAL 28 -15.923 -21.056 13.281 74 HA VAL 28 HA VAL 28 -14.391 -18.564 13.312 75 HB VAL 28 HB VAL 28 -17.100 -19.246 12.030 76 1HG1 VAL 28 HG13 VAL 28 -15.176 -16.928 11.418 77 2HG1 VAL 28 HG12 VAL 28 -16.640 -17.298 10.533 78 3HG1 VAL 28 HG11 VAL 28 -16.745 -16.732 12.181 79 1HG2 VAL 28 HG21 VAL 28 -15.067 -20.559 11.208 80 2HG2 VAL 28 HG23 VAL 28 -15.777 -19.515 10.002 81 3HG2 VAL 28 HG22 VAL 28 -14.294 -19.058 10.824 82 H GLY 29 HN GLY 29 -15.453 -16.448 13.844 83 1HA GLY 29 HA2 GLY 29 -16.564 -15.014 15.380 84 2HA GLY 29 HA1 GLY 29 -17.793 -16.260 15.514 85 H LYS 30 HN LYS 30 -14.686 -17.286 16.313 86 HA LYS 30 HA LYS 30 -15.006 -16.879 19.237 87 1HB LYS 30 HB2 LYS 30 -13.907 -19.275 17.786 88 2HB LYS 30 HB1 LYS 30 -14.019 -19.133 19.538 89 1HG LYS 30 HG2 LYS 30 -16.512 -18.975 19.409 90 2HG LYS 30 HG1 LYS 30 -16.429 -18.979 17.668 91 1HD LYS 30 HD2 LYS 30 -15.139 -21.294 17.986 92 2HD LYS 30 HD1 LYS 30 -15.793 -21.242 19.600 93 1HE LYS 30 HE2 LYS 30 -17.294 -22.497 18.103 94 2HE LYS 30 HE1 LYS 30 -18.075 -21.042 18.725 95 1HZ LYS 30 HZ3 LYS 30 -16.637 -20.306 16.389 96 2HZ LYS 30 HZ2 LYS 30 -17.539 -21.707 16.030 97 3HZ LYS 30 HZ1 LYS 30 -18.280 -20.286 16.597 98 H SER 31 HN SER 31 -12.859 -17.106 20.411 99 HA SER 31 HA SER 31 -10.596 -15.993 18.766 100 1HB SER 31 HB2 SER 31 -9.692 -15.694 21.256 101 2HB SER 31 HB1 SER 31 -11.144 -14.753 20.911 102 HG SER 31 HG1 SER 31 -11.102 -16.528 22.849 103 H VAL 32 HN VAL 32 -8.821 -16.192 19.029 104 HA VAL 32 HA VAL 32 -8.171 -18.477 17.925 105 HB VAL 32 HB VAL 32 -7.095 -16.109 18.477 106 1HG1 VAL 32 HG12 VAL 32 -6.172 -16.722 20.721 107 2HG1 VAL 32 HG11 VAL 32 -5.177 -18.002 20.029 108 3HG1 VAL 32 HG13 VAL 32 -4.857 -16.316 19.659 109 1HG2 VAL 32 HG22 VAL 32 -6.320 -17.424 16.458 110 2HG2 VAL 32 HG21 VAL 32 -4.918 -16.730 17.261 111 3HG2 VAL 32 HG23 VAL 32 -5.299 -18.418 17.480 112 H GLU 33 HN GLU 33 -8.257 -17.975 21.299 113 HA GLU 33 HA GLU 33 -6.632 -20.182 22.230 114 1HB GLU 33 HB2 GLU 33 -7.671 -19.668 24.485 115 2HB GLU 33 HB1 GLU 33 -7.459 -18.141 23.657 116 1HG GLU 33 HG2 GLU 33 -9.853 -18.226 22.884 117 2HG GLU 33 HG1 GLU 33 -10.093 -19.719 23.777 118 H GLU 34 HN GLU 34 -9.962 -19.775 21.859 119 HA GLU 34 HA GLU 34 -10.838 -22.455 22.421 120 1HB GLU 34 HB2 GLU 34 -12.272 -20.415 22.487 121 2HB GLU 34 HB1 GLU 34 -12.027 -20.149 20.779 122 1HG GLU 34 HG2 GLU 34 -13.382 -22.652 21.888 123 2HG GLU 34 HG1 GLU 34 -14.245 -21.233 21.358 124 H ALA 35 HN ALA 35 -10.205 -20.631 19.481 125 HA ALA 35 HA ALA 35 -10.491 -22.697 17.621 126 1HB ALA 35 HB3 ALA 35 -10.023 -20.349 17.049 127 2HB ALA 35 HB2 ALA 35 -8.350 -20.518 17.568 128 3HB ALA 35 HB1 ALA 35 -8.943 -21.414 16.167 129 H LYS 36 HN LYS 36 -7.517 -21.881 19.481 130 HA LYS 36 HA LYS 36 -5.958 -23.947 18.378 131 1HB LYS 36 HB2 LYS 36 -5.925 -22.566 21.095 132 2HB LYS 36 HB1 LYS 36 -4.841 -23.897 20.740 133 1HG LYS 36 HG2 LYS 36 -3.645 -22.658 19.050 134 2HG LYS 36 HG1 LYS 36 -4.859 -21.385 19.054 135 1HD LYS 36 HD2 LYS 36 -4.265 -20.663 21.283 136 2HD LYS 36 HD1 LYS 36 -3.334 -22.092 21.621 137 1HE LYS 36 HE2 LYS 36 -2.398 -20.428 19.315 138 2HE LYS 36 HE1 LYS 36 -2.271 -19.644 20.881 139 1HZ LYS 36 HZ2 LYS 36 -1.381 -22.336 21.082 140 2HZ LYS 36 HZ1 LYS 36 -0.549 -21.589 19.804 141 3HZ LYS 36 HZ3 LYS 36 -0.482 -20.916 21.355 142 H LYS 37 HN LYS 37 -7.861 -23.743 21.189 143 HA LYS 37 HA LYS 37 -7.565 -26.282 22.165 144 1HB LYS 37 HB2 LYS 37 -8.830 -24.536 23.453 145 2HB LYS 37 HB1 LYS 37 -9.975 -24.453 22.137 146 1HG LYS 37 HG2 LYS 37 -9.841 -27.022 23.670 147 2HG LYS 37 HG1 LYS 37 -10.714 -25.657 24.337 148 1HD LYS 37 HD2 LYS 37 -12.307 -25.565 22.563 149 2HD LYS 37 HD1 LYS 37 -11.394 -26.502 21.444 150 1HE LYS 37 HE2 LYS 37 -12.654 -27.544 23.981 151 2HE LYS 37 HE1 LYS 37 -13.212 -27.812 22.334 152 1HZ LYS 37 HZ3 LYS 37 -10.507 -28.528 22.335 153 2HZ LYS 37 HZ2 LYS 37 -11.183 -29.215 23.749 154 3HZ LYS 37 HZ1 LYS 37 -11.823 -29.591 22.243 155 H VAL 38 HN VAL 38 -9.668 -25.304 19.793 156 HA VAL 38 HA VAL 38 -10.892 -27.968 19.373 157 HB VAL 38 HB VAL 38 -10.982 -25.574 17.536 158 1HG1 VAL 38 HG12 VAL 38 -12.612 -28.177 17.554 159 2HG1 VAL 38 HG11 VAL 38 -12.971 -26.803 16.536 160 3HG1 VAL 38 HG13 VAL 38 -11.477 -27.675 16.311 161 1HG2 VAL 38 HG21 VAL 38 -12.099 -24.987 19.591 162 2HG2 VAL 38 HG23 VAL 38 -13.187 -25.163 18.231 163 3HG2 VAL 38 HG22 VAL 38 -13.123 -26.415 19.481 164 H ILE 39 HN ILE 39 -8.962 -25.886 17.348 165 HA ILE 39 HA ILE 39 -8.542 -27.575 15.160 166 HB ILE 39 HB ILE 39 -6.698 -25.491 16.426 167 1HG1 ILE 39 HG12 ILE 39 -8.713 -25.450 14.134 168 2HG1 ILE 39 HG11 ILE 39 -8.926 -24.667 15.679 169 1HG2 ILE 39 HG21 ILE 39 -5.686 -27.221 14.686 170 2HG2 ILE 39 HG23 ILE 39 -6.728 -26.322 13.503 171 3HG2 ILE 39 HG22 ILE 39 -5.489 -25.528 14.499 172 1HD1 ILE 39 HD2 ILE 39 -6.698 -24.048 13.707 173 2HD1 ILE 39 HD1 ILE 39 -8.242 -23.098 14.011 174 3HD1 ILE 39 HD3 ILE 39 -6.999 -23.259 15.287 175 H LEU 40 HN LEU 40 -6.638 -27.176 18.059 176 HA LEU 40 HA LEU 40 -4.768 -29.232 17.382 177 1HB LEU 40 HB2 LEU 40 -5.463 -27.827 20.007 178 2HB LEU 40 HB1 LEU 40 -3.988 -28.694 19.626 179 HG LEU 40 HG LEU 40 -4.939 -26.072 18.431 180 1HD1 LEU 40 HD13 LEU 40 -3.516 -26.106 20.451 181 2HD1 LEU 40 HD12 LEU 40 -2.296 -27.019 19.566 182 3HD1 LEU 40 HD11 LEU 40 -2.690 -25.374 19.078 183 1HD2 LEU 40 HD23 LEU 40 -4.275 -27.449 16.470 184 2HD2 LEU 40 HD22 LEU 40 -3.251 -26.072 16.774 185 3HD2 LEU 40 HD21 LEU 40 -2.712 -27.687 17.233 186 H GLN 41 HN GLN 41 -7.882 -29.297 18.885 187 HA GLN 41 HA GLN 41 -7.511 -31.907 20.134 188 1HB GLN 41 HB2 GLN 41 -9.337 -30.278 20.775 189 2HB GLN 41 HB1 GLN 41 -10.060 -30.489 19.190 190 1HG GLN 41 HG2 GLN 41 -10.150 -33.066 19.805 191 2HG GLN 41 HG1 GLN 41 -9.885 -32.517 21.455 192 1HE2 GLN 41 HE22 GLN 41 -13.507 -32.256 19.915 193 2HE2 GLN 41 HE21 GLN 41 -12.243 -33.099 19.136 194 H ASP 42 HN ASP 42 -8.031 -30.646 17.099 195 HA ASP 42 HA ASP 42 -8.797 -33.166 15.738 196 1HB ASP 42 HB2 ASP 42 -9.953 -30.969 15.463 197 2HB ASP 42 HB1 ASP 42 -8.486 -30.336 14.760 198 H LYS 43 HN LYS 43 -6.440 -30.718 14.984 199 HA LYS 43 HA LYS 43 -4.807 -32.701 13.457 200 1HB LYS 43 HB2 LYS 43 -6.010 -30.835 12.237 201 2HB LYS 43 HB1 LYS 43 -4.948 -29.700 13.044 202 1HG LYS 43 HG2 LYS 43 -3.585 -29.945 11.274 203 2HG LYS 43 HG1 LYS 43 -3.092 -31.414 12.059 204 1HD LYS 43 HD2 LYS 43 -4.975 -32.646 10.774 205 2HD LYS 43 HD1 LYS 43 -5.327 -31.148 9.954 206 1HE LYS 43 HE2 LYS 43 -3.935 -32.538 8.525 207 2HE LYS 43 HE1 LYS 43 -2.991 -31.112 9.005 208 1HZ LYS 43 HZ1 LYS 43 -2.696 -33.072 11.058 209 2HZ LYS 43 HZ3 LYS 43 -2.339 -33.862 9.617 210 3HZ LYS 43 HZ2 LYS 43 -1.523 -32.519 10.098 211 HA PRO 44 HA PRO 44 -2.203 -31.841 17.366 212 1HB PRO 44 HB2 PRO 44 -1.278 -34.168 15.644 213 2HB PRO 44 HB1 PRO 44 -0.909 -33.907 17.358 214 1HG PRO 44 HG2 PRO 44 -3.109 -35.340 16.764 215 2HG PRO 44 HG1 PRO 44 -3.288 -34.065 17.972 216 1HD PRO 44 HD1 PRO 44 -4.267 -34.106 15.116 217 2HD PRO 44 HD2 PRO 44 -4.899 -33.199 16.502 218 H GLU 45 HN GLU 45 -0.916 -32.134 14.063 219 HA GLU 45 HA GLU 45 1.647 -31.058 14.562 220 1HB GLU 45 HB2 GLU 45 -0.041 -30.864 12.088 221 2HB GLU 45 HB1 GLU 45 1.715 -30.759 12.087 222 1HG GLU 45 HG2 GLU 45 1.689 -33.062 11.710 223 2HG GLU 45 HG1 GLU 45 1.085 -33.287 13.338 224 H ALA 46 HN ALA 46 -1.303 -29.559 13.883 225 HA ALA 46 HA ALA 46 -0.746 -26.994 13.077 226 1HB ALA 46 HB3 ALA 46 -2.833 -28.075 14.979 227 2HB ALA 46 HB2 ALA 46 -2.945 -26.473 14.289 228 3HB ALA 46 HB1 ALA 46 -2.992 -27.900 13.255 229 H GLN 47 HN GLN 47 1.303 -26.502 14.089 230 HA GLN 47 HA GLN 47 1.483 -25.897 16.945 231 1HB GLN 47 HB2 GLN 47 3.320 -26.738 15.445 232 2HB GLN 47 HB1 GLN 47 3.274 -25.233 14.560 233 1HG GLN 47 HG2 GLN 47 3.875 -24.029 16.769 234 2HG GLN 47 HG1 GLN 47 4.119 -25.617 17.492 235 1HE2 GLN 47 HE21 GLN 47 7.240 -26.003 15.941 236 2HE2 GLN 47 HE22 GLN 47 6.141 -26.585 17.101 237 H ILE 48 HN ILE 48 -0.567 -24.617 16.617 238 HA ILE 48 HA ILE 48 -0.562 -22.164 15.124 239 HB ILE 48 HB ILE 48 -2.262 -23.117 17.237 240 1HG1 ILE 48 HG12 ILE 48 -2.534 -23.039 14.194 241 2HG1 ILE 48 HG11 ILE 48 -2.566 -24.475 15.200 242 1HG2 ILE 48 HG21 ILE 48 -2.417 -20.550 17.127 243 2HG2 ILE 48 HG23 ILE 48 -2.735 -20.673 15.407 244 3HG2 ILE 48 HG22 ILE 48 -3.888 -21.274 16.592 245 1HD1 ILE 48 HD2 ILE 48 -4.753 -22.429 15.270 246 2HD1 ILE 48 HD1 ILE 48 -4.678 -23.887 14.374 247 3HD1 ILE 48 HD3 ILE 48 -4.658 -23.976 16.140 248 H ILE 49 HN ILE 49 -0.321 -20.214 15.526 249 HA ILE 49 HA ILE 49 0.492 -19.070 18.174 250 HB ILE 49 HB ILE 49 1.521 -18.798 15.476 251 1HG1 ILE 49 HG12 ILE 49 2.481 -20.663 16.564 252 2HG1 ILE 49 HG11 ILE 49 3.743 -19.454 16.427 253 1HG2 ILE 49 HG23 ILE 49 2.363 -16.968 17.744 254 2HG2 ILE 49 HG22 ILE 49 3.236 -17.123 16.236 255 3HG2 ILE 49 HG21 ILE 49 1.632 -16.468 16.223 256 1HD1 ILE 49 HD2 ILE 49 3.264 -18.772 18.803 257 2HD1 ILE 49 HD1 ILE 49 2.074 -20.061 18.907 258 3HD1 ILE 49 HD3 ILE 49 3.757 -20.447 18.685 259 H VAL 50 HN VAL 50 0.305 -16.423 17.503 260 HA VAL 50 HA VAL 50 -2.505 -16.105 16.587 261 HB VAL 50 HB VAL 50 -1.993 -15.513 18.833 262 1HG1 VAL 50 HG11 VAL 50 0.185 -13.679 17.817 263 2HG1 VAL 50 HG13 VAL 50 -0.413 -13.696 19.470 264 3HG1 VAL 50 HG12 VAL 50 0.395 -15.106 18.829 265 1HG2 VAL 50 HG22 VAL 50 -3.589 -13.995 17.643 266 2HG2 VAL 50 HG21 VAL 50 -2.687 -13.063 18.824 267 3HG2 VAL 50 HG23 VAL 50 -2.265 -12.962 17.128 268 H LEU 51 HN LEU 51 -3.098 -14.742 15.047 269 HA LEU 51 HA LEU 51 -1.146 -13.165 13.503 270 1HB LEU 51 HB2 LEU 51 -2.248 -15.692 12.719 271 2HB LEU 51 HB1 LEU 51 -3.030 -14.535 11.708 272 HG LEU 51 HG LEU 51 -1.370 -14.948 10.358 273 1HD1 LEU 51 HD13 LEU 51 -0.834 -12.549 10.921 274 2HD1 LEU 51 HD12 LEU 51 0.278 -13.109 12.150 275 3HD1 LEU 51 HD11 LEU 51 0.598 -13.433 10.478 276 1HD2 LEU 51 HD21 LEU 51 0.400 -15.790 12.618 277 2HD2 LEU 51 HD23 LEU 51 -0.460 -16.848 11.478 278 3HD2 LEU 51 HD22 LEU 51 0.856 -15.834 10.921 279 HA PRO 52 HA PRO 52 -5.023 -10.683 13.700 280 1HB PRO 52 HB2 PRO 52 -4.047 -8.174 13.373 281 2HB PRO 52 HB1 PRO 52 -3.844 -9.036 14.903 282 1HG PRO 52 HG2 PRO 52 -1.874 -8.881 12.550 283 2HG PRO 52 HG1 PRO 52 -1.558 -8.466 14.237 284 1HD PRO 52 HD1 PRO 52 -0.924 -10.949 13.262 285 2HD PRO 52 HD2 PRO 52 -1.557 -10.799 14.925 286 H VAL 53 HN VAL 53 -6.332 -10.512 11.947 287 HA VAL 53 HA VAL 53 -5.835 -11.225 9.355 288 HB VAL 53 HB VAL 53 -7.842 -9.666 10.660 289 1HG1 VAL 53 HG13 VAL 53 -7.558 -10.161 7.646 290 2HG1 VAL 53 HG12 VAL 53 -9.067 -9.590 8.388 291 3HG1 VAL 53 HG11 VAL 53 -7.640 -8.566 8.380 292 1HG2 VAL 53 HG22 VAL 53 -7.582 -12.170 10.632 293 2HG2 VAL 53 HG21 VAL 53 -9.124 -11.693 9.903 294 3HG2 VAL 53 HG23 VAL 53 -7.746 -12.156 8.907 295 H GLY 54 HN GLY 54 -4.976 -10.661 7.763 296 1HA GLY 54 HA2 GLY 54 -4.218 -9.000 6.046 297 2HA GLY 54 HA1 GLY 54 -4.308 -7.758 7.273 298 H THR 55 HN THR 55 -2.549 -9.659 9.146 299 HA THR 55 HA THR 55 -0.082 -8.454 8.665 300 HB THR 55 HB THR 55 -1.251 -10.281 10.531 301 HG1 THR 55 HG1 THR 55 0.883 -9.140 11.351 302 1HG2 THR 55 HG23 THR 55 1.688 -10.439 9.807 303 2HG2 THR 55 HG22 THR 55 0.887 -11.225 11.164 304 3HG2 THR 55 HG21 THR 55 0.452 -11.670 9.502 305 H ILE 56 HN ILE 56 1.905 -9.278 7.927 306 HA ILE 56 HA ILE 56 1.593 -10.948 5.537 307 HB ILE 56 HB ILE 56 3.969 -9.540 6.787 308 1HG1 ILE 56 HG12 ILE 56 2.452 -8.061 5.574 309 2HG1 ILE 56 HG11 ILE 56 3.956 -8.207 4.697 310 1HG2 ILE 56 HG22 ILE 56 4.086 -11.289 4.290 311 2HG2 ILE 56 HG21 ILE 56 5.360 -10.213 4.830 312 3HG2 ILE 56 HG23 ILE 56 4.920 -11.597 5.800 313 1HD1 ILE 56 HD3 ILE 56 2.866 -9.887 3.142 314 2HD1 ILE 56 HD2 ILE 56 1.349 -9.663 3.996 315 3HD1 ILE 56 HD1 ILE 56 2.055 -8.330 3.113 316 H VAL 57 HN VAL 57 1.806 -12.906 5.369 317 HA VAL 57 HA VAL 57 3.563 -14.533 7.147 318 HB VAL 57 HB VAL 57 1.804 -16.384 7.167 319 1HG1 VAL 57 HG12 VAL 57 1.012 -13.647 8.200 320 2HG1 VAL 57 HG11 VAL 57 0.339 -15.119 8.830 321 3HG1 VAL 57 HG13 VAL 57 2.057 -14.785 9.001 322 1HG2 VAL 57 HG22 VAL 57 0.398 -15.628 5.157 323 2HG2 VAL 57 HG21 VAL 57 -0.643 -15.980 6.526 324 3HG2 VAL 57 HG23 VAL 57 -0.238 -14.310 6.179 325 H THR 58 HN THR 58 2.812 -17.034 5.645 326 HA THR 58 HA THR 58 4.664 -16.762 3.455 327 HB THR 58 HB THR 58 3.528 -19.295 4.018 328 HG1 THR 58 HG1 THR 58 4.853 -18.913 6.222 329 1HG2 THR 58 HG21 THR 58 5.970 -18.819 3.171 330 2HG2 THR 58 HG23 THR 58 6.284 -18.073 4.721 331 3HG2 THR 58 HG22 THR 58 5.987 -19.806 4.621 332 H MET 59 HN MET 59 3.749 -19.019 1.991 333 HA MET 59 HA MET 59 2.298 -17.907 -0.228 334 1HB MET 59 HB2 MET 59 2.661 -20.853 0.461 335 2HB MET 59 HB1 MET 59 2.436 -20.155 -1.124 336 1HG MET 59 HG2 MET 59 4.626 -18.841 -0.775 337 2HG MET 59 HG1 MET 59 4.881 -19.866 0.607 338 1HE MET 59 HE3 MET 59 4.928 -19.261 -2.935 339 2HE MET 59 HE2 MET 59 5.669 -20.649 -3.693 340 3HE MET 59 HE1 MET 59 3.931 -20.666 -3.355 341 H GLU 60 HN GLU 60 0.528 -20.049 -0.865 342 HA GLU 60 HA GLU 60 -1.805 -19.096 0.513 343 1HB GLU 60 HB2 GLU 60 -2.768 -20.786 -1.124 344 2HB GLU 60 HB1 GLU 60 -1.999 -19.344 -1.833 345 1HG GLU 60 HG2 GLU 60 -1.495 -21.513 -3.039 346 2HG GLU 60 HG1 GLU 60 -0.035 -20.764 -2.461 347 OH TYR 61 OH TYR 61 -2.573 -28.783 3.646 348 H TYR 61 HN TYR 61 0.029 -21.439 0.798 349 HA TYR 61 HA TYR 61 -1.465 -23.148 2.831 350 1HB TYR 61 HB2 TYR 61 -0.227 -24.069 0.535 351 2HB TYR 61 HB1 TYR 61 0.996 -24.344 1.765 352 HD1 TYR 61 HD1 TYR 61 -0.174 -24.964 3.979 353 HD2 TYR 61 HD2 TYR 61 -1.430 -26.098 0.160 354 HE1 TYR 61 HE1 TYR 61 -1.272 -26.968 4.976 355 HE2 TYR 61 HE2 TYR 61 -2.533 -28.126 1.103 356 HH TYR 61 HH TYR 61 -2.234 -29.559 3.191 357 NH1 ARG 62 NH1 ARG 62 -2.241 -17.898 3.084 358 NH2 ARG 62 NH2 ARG 62 -3.213 -19.189 4.628 359 H ARG 62 HN ARG 62 -0.895 -22.237 4.700 360 HA ARG 62 HA ARG 62 1.962 -21.563 5.363 361 1HB ARG 62 HB2 ARG 62 -0.727 -20.656 6.418 362 2HB ARG 62 HB1 ARG 62 0.739 -20.370 7.317 363 1HG ARG 62 HG2 ARG 62 0.132 -18.425 5.933 364 2HG ARG 62 HG1 ARG 62 1.683 -19.133 5.506 365 1HD ARG 62 HD2 ARG 62 0.290 -18.297 3.663 366 2HD ARG 62 HD1 ARG 62 0.798 -19.949 3.403 367 HE ARG 62 HE ARG 62 -1.547 -20.677 3.795 368 1HH1 ARG 62 HH12 ARG 62 -1.415 -17.784 2.522 369 2HH1 ARG 62 HH11 ARG 62 -3.002 -17.255 3.050 370 1HH2 ARG 62 HH21 ARG 62 -3.119 -20.034 5.175 371 2HH2 ARG 62 HH22 ARG 62 -4.005 -18.587 4.681 372 H ILE 63 HN ILE 63 1.276 -23.860 5.133 373 HA ILE 63 HA ILE 63 0.341 -25.606 7.104 374 HB ILE 63 HB ILE 63 1.116 -26.292 4.683 375 1HG1 ILE 63 HG12 ILE 63 2.486 -28.272 5.121 376 2HG1 ILE 63 HG11 ILE 63 2.568 -27.788 6.811 377 1HG2 ILE 63 HG22 ILE 63 3.071 -24.783 4.720 378 2HG2 ILE 63 HG21 ILE 63 3.864 -25.867 5.852 379 3HG2 ILE 63 HG23 ILE 63 3.509 -26.410 4.219 380 1HD1 ILE 63 HD1 ILE 63 0.156 -27.927 6.996 381 2HD1 ILE 63 HD3 ILE 63 0.013 -28.493 5.321 382 3HD1 ILE 63 HD2 ILE 63 0.822 -29.474 6.528 383 H ASP 64 HN ASP 64 3.357 -24.161 7.486 384 HA ASP 64 HA ASP 64 4.339 -26.008 9.471 385 1HB ASP 64 HB2 ASP 64 5.704 -24.010 10.238 386 2HB ASP 64 HB1 ASP 64 5.605 -23.970 8.490 387 NH1 ARG 65 NH2 ARG 65 4.098 -22.424 14.803 388 NH2 ARG 65 NH1 ARG 65 4.976 -23.070 12.897 389 H ARG 65 HN ARG 65 1.697 -24.026 9.252 390 HA ARG 65 HA ARG 65 0.679 -24.486 11.958 391 1HB ARG 65 HB2 ARG 65 2.019 -22.292 11.006 392 2HB ARG 65 HB1 ARG 65 0.377 -21.902 10.677 393 1HG ARG 65 HG2 ARG 65 -0.125 -21.637 12.979 394 2HG ARG 65 HG1 ARG 65 0.891 -22.988 13.456 395 1HD ARG 65 HD2 ARG 65 1.818 -20.127 12.941 396 2HD ARG 65 HD1 ARG 65 1.934 -21.065 14.412 397 HE ARG 65 HE ARG 65 3.609 -21.508 11.956 398 1HH1 ARG 65 HH22 ARG 65 3.364 -21.953 15.275 399 2HH1 ARG 65 HH21 ARG 65 4.815 -22.932 15.270 400 1HH2 ARG 65 HH11 ARG 65 4.956 -23.043 11.898 401 2HH2 ARG 65 HH12 ARG 65 5.644 -23.617 13.403 402 H VAL 66 HN VAL 66 -1.502 -23.248 12.042 403 HA VAL 66 HA VAL 66 -3.204 -23.717 9.653 404 HB VAL 66 HB VAL 66 -4.184 -23.211 12.508 405 1HG1 VAL 66 HG13 VAL 66 -5.357 -24.870 10.227 406 2HG1 VAL 66 HG12 VAL 66 -6.247 -24.618 11.717 407 3HG1 VAL 66 HG11 VAL 66 -5.984 -23.247 10.587 408 1HG2 VAL 66 HG22 VAL 66 -3.012 -25.345 12.646 409 2HG2 VAL 66 HG21 VAL 66 -4.809 -25.372 12.824 410 3HG2 VAL 66 HG23 VAL 66 -4.037 -25.950 11.326 411 NH1 ARG 67 NH1 ARG 67 2.577 -18.273 10.927 412 NH2 ARG 67 NH2 ARG 67 2.496 -20.167 9.694 413 H ARG 67 HN ARG 67 -3.010 -21.423 8.810 414 HA ARG 67 HA ARG 67 -1.865 -19.536 10.804 415 1HB ARG 67 HB2 ARG 67 -1.292 -19.786 8.326 416 2HB ARG 67 HB1 ARG 67 -2.762 -18.926 7.962 417 1HG ARG 67 HG2 ARG 67 -1.519 -17.064 8.128 418 2HG ARG 67 HG1 ARG 67 -1.546 -17.239 9.852 419 1HD ARG 67 HD2 ARG 67 0.583 -18.314 7.890 420 2HD ARG 67 HD1 ARG 67 0.827 -17.029 9.040 421 HE ARG 67 HE ARG 67 0.072 -19.489 10.383 422 1HH1 ARG 67 HH12 ARG 67 2.069 -17.482 11.254 423 2HH1 ARG 67 HH11 ARG 67 3.537 -18.400 11.165 424 1HH2 ARG 67 HH22 ARG 67 1.935 -20.791 9.143 425 2HH2 ARG 67 HH21 ARG 67 3.456 -20.444 9.813 426 H LEU 68 HN LEU 68 -3.282 -18.890 12.410 427 HA LEU 68 HA LEU 68 -6.023 -18.402 11.690 428 1HB LEU 68 HB2 LEU 68 -4.378 -18.646 14.207 429 2HB LEU 68 HB1 LEU 68 -5.803 -17.636 14.317 430 HG LEU 68 HG LEU 68 -7.217 -19.478 13.412 431 1HD1 LEU 68 HD13 LEU 68 -4.632 -21.100 13.477 432 2HD1 LEU 68 HD12 LEU 68 -6.239 -21.729 13.116 433 3HD1 LEU 68 HD11 LEU 68 -5.467 -20.597 12.029 434 1HD2 LEU 68 HD23 LEU 68 -5.524 -20.443 15.734 435 2HD2 LEU 68 HD22 LEU 68 -6.954 -19.431 15.860 436 3HD2 LEU 68 HD21 LEU 68 -7.096 -21.061 15.247 437 H PHE 69 HN PHE 69 -5.518 -16.704 10.067 438 HA PHE 69 HA PHE 69 -5.157 -14.137 11.217 439 1HB PHE 69 HB2 PHE 69 -6.068 -15.382 8.555 440 2HB PHE 69 HB1 PHE 69 -6.419 -13.629 8.758 441 HD1 PHE 69 HD1 PHE 69 -4.808 -12.492 10.096 442 HD2 PHE 69 HD2 PHE 69 -3.708 -15.822 7.675 443 HE1 PHE 69 HE1 PHE 69 -2.603 -11.685 9.985 444 HE2 PHE 69 HE2 PHE 69 -1.635 -15.012 7.585 445 HZ PHE 69 HZ PHE 69 -0.867 -12.938 8.579 446 H VAL 70 HN VAL 70 -6.084 -13.472 12.646 447 HA VAL 70 HA VAL 70 -9.008 -13.969 13.281 448 HB VAL 70 HB VAL 70 -8.494 -13.511 15.592 449 1HG1 VAL 70 HG11 VAL 70 -6.338 -15.393 14.500 450 2HG1 VAL 70 HG13 VAL 70 -6.855 -15.248 16.158 451 3HG1 VAL 70 HG12 VAL 70 -7.959 -15.839 14.940 452 1HG2 VAL 70 HG23 VAL 70 -6.766 -11.725 15.321 453 2HG2 VAL 70 HG22 VAL 70 -6.168 -13.028 16.343 454 3HG2 VAL 70 HG21 VAL 70 -5.647 -12.931 14.692 455 H ASP 71 HN ASP 71 -9.953 -11.828 14.660 456 HA ASP 71 HA ASP 71 -9.420 -9.589 12.789 457 1HB ASP 71 HB2 ASP 71 -11.564 -8.729 13.415 458 2HB ASP 71 HB1 ASP 71 -11.764 -10.403 13.452 459 H LYS 72 HN LYS 72 -10.592 -7.989 14.730 460 HA LYS 72 HA LYS 72 -8.166 -6.870 15.963 461 1HB LYS 72 HB2 LYS 72 -11.009 -5.817 15.829 462 2HB LYS 72 HB1 LYS 72 -9.648 -4.812 16.307 463 1HG LYS 72 HG2 LYS 72 -8.708 -4.851 14.063 464 2HG LYS 72 HG1 LYS 72 -9.810 -6.094 13.521 465 1HD LYS 72 HD2 LYS 72 -10.639 -3.262 14.355 466 2HD LYS 72 HD1 LYS 72 -10.458 -3.797 12.694 467 1HE LYS 72 HE2 LYS 72 -12.237 -5.558 13.122 468 2HE LYS 72 HE1 LYS 72 -12.474 -4.886 14.726 469 1HZ LYS 72 HZ1 LYS 72 -12.510 -2.763 12.844 470 2HZ LYS 72 HZ3 LYS 72 -13.614 -3.921 12.324 471 3HZ LYS 72 HZ2 LYS 72 -13.746 -3.270 13.874 472 H LEU 73 HN LEU 73 -10.171 -8.863 16.774 473 HA LEU 73 HA LEU 73 -9.983 -8.548 19.747 474 1HB LEU 73 HB2 LEU 73 -12.266 -9.442 18.045 475 2HB LEU 73 HB1 LEU 73 -12.377 -9.393 19.807 476 HG LEU 73 HG LEU 73 -11.940 -7.054 17.912 477 1HD1 LEU 73 HD11 LEU 73 -14.446 -7.950 19.426 478 2HD1 LEU 73 HD13 LEU 73 -14.329 -6.467 18.491 479 3HD1 LEU 73 HD12 LEU 73 -14.187 -8.024 17.687 480 1HD2 LEU 73 HD23 LEU 73 -12.612 -7.140 20.905 481 2HD2 LEU 73 HD22 LEU 73 -11.056 -6.666 20.243 482 3HD2 LEU 73 HD21 LEU 73 -12.466 -5.655 19.971 483 H ASP 74 HN ASP 74 -8.396 -10.077 17.887 484 HA ASP 74 HA ASP 74 -7.799 -12.188 17.247 485 1HB ASP 74 HB2 ASP 74 -6.408 -12.500 19.099 486 2HB ASP 74 HB1 ASP 74 -7.418 -11.451 20.052 487 H ASN 75 HN ASN 75 -10.611 -11.961 17.121 488 HA ASN 75 HA ASN 75 -11.539 -14.730 17.603 489 1HB ASN 75 HB2 ASN 75 -12.914 -12.057 17.125 490 2HB ASN 75 HB1 ASN 75 -13.864 -13.523 16.991 491 1HD2 ASN 75 HD21 ASN 75 -12.503 -11.695 20.000 492 2HD2 ASN 75 HD22 ASN 75 -14.103 -11.449 19.402 493 H ILE 76 HN ILE 76 -12.371 -15.852 15.853 494 HA ILE 76 HA ILE 76 -10.842 -15.546 13.517 495 HB ILE 76 HB ILE 76 -12.848 -17.551 14.324 496 1HG1 ILE 76 HG12 ILE 76 -9.822 -16.924 14.251 497 2HG1 ILE 76 HG11 ILE 76 -10.836 -17.039 15.704 498 1HG2 ILE 76 HG22 ILE 76 -10.796 -17.255 11.989 499 2HG2 ILE 76 HG21 ILE 76 -11.741 -18.726 12.274 500 3HG2 ILE 76 HG23 ILE 76 -12.500 -17.254 11.707 501 1HD1 ILE 76 HD3 ILE 76 -10.282 -19.219 13.923 502 2HD1 ILE 76 HD2 ILE 76 -9.516 -18.852 15.512 503 3HD1 ILE 76 HD1 ILE 76 -11.276 -19.180 15.429 504 H ALA 77 HN ALA 77 -11.134 -14.247 12.454 505 HA ALA 77 HA ALA 77 -13.365 -12.841 11.424 506 1HB ALA 77 HB2 ALA 77 -11.318 -12.146 12.543 507 2HB ALA 77 HB1 ALA 77 -10.344 -12.909 11.339 508 3HB ALA 77 HB3 ALA 77 -11.279 -11.446 10.897 509 H GLN 78 HN GLN 78 -10.794 -14.783 10.247 510 HA GLN 78 HA GLN 78 -12.253 -15.239 7.645 511 1HB GLN 78 HB2 GLN 78 -10.125 -13.917 7.493 512 2HB GLN 78 HB1 GLN 78 -9.259 -15.207 8.296 513 1HG GLN 78 HG2 GLN 78 -9.884 -16.761 6.347 514 2HG GLN 78 HG1 GLN 78 -10.648 -15.396 5.537 515 1HE2 GLN 78 HE21 GLN 78 -7.504 -14.029 4.624 516 2HE2 GLN 78 HE22 GLN 78 -9.152 -13.606 4.824 517 H VAL 79 HN VAL 79 -12.311 -17.637 7.011 518 HA VAL 79 HA VAL 79 -12.189 -19.191 9.436 519 HB VAL 79 HB VAL 79 -12.497 -20.183 6.521 520 1HG1 VAL 79 HG13 VAL 79 -12.807 -21.634 9.209 521 2HG1 VAL 79 HG12 VAL 79 -13.103 -22.379 7.647 522 3HG1 VAL 79 HG11 VAL 79 -11.467 -21.977 8.111 523 1HG2 VAL 79 HG23 VAL 79 -14.185 -20.137 8.992 524 2HG2 VAL 79 HG22 VAL 79 -14.461 -18.990 7.671 525 3HG2 VAL 79 HG21 VAL 79 -14.783 -20.721 7.440 526 HA PRO 80 HA PRO 80 -7.853 -20.124 9.034 527 1HB PRO 80 HB2 PRO 80 -7.998 -21.916 11.340 528 2HB PRO 80 HB1 PRO 80 -7.423 -20.246 11.249 529 1HG PRO 80 HG2 PRO 80 -9.744 -20.727 12.602 530 2HG PRO 80 HG1 PRO 80 -9.510 -19.312 11.540 531 1HD PRO 80 HD1 PRO 80 -10.711 -21.934 10.566 532 2HD PRO 80 HD2 PRO 80 -11.624 -20.420 10.692 533 NH1 ARG 81 NH2 ARG 81 -3.817 -25.368 2.992 534 NH2 ARG 81 NH1 ARG 81 -3.620 -23.637 1.574 535 H ARG 81 HN ARG 81 -6.406 -22.095 8.580 536 HA ARG 81 HA ARG 81 -7.682 -24.664 8.081 537 1HB ARG 81 HB2 ARG 81 -8.161 -24.266 5.800 538 2HB ARG 81 HB1 ARG 81 -7.602 -22.617 5.956 539 1HG ARG 81 HG2 ARG 81 -5.204 -23.494 5.715 540 2HG ARG 81 HG1 ARG 81 -5.923 -25.074 5.446 541 1HD ARG 81 HD2 ARG 81 -6.520 -24.557 3.249 542 2HD ARG 81 HD1 ARG 81 -6.741 -22.839 3.592 543 HE ARG 81 HE ARG 81 -4.217 -22.681 3.855 544 1HH1 ARG 81 HH21 ARG 81 -4.124 -25.708 3.889 545 2HH1 ARG 81 HH22 ARG 81 -3.331 -25.940 2.349 546 1HH2 ARG 81 HH11 ARG 81 -3.839 -22.666 1.475 547 2HH2 ARG 81 HH12 ARG 81 -3.104 -24.091 0.845 548 H VAL 82 HN VAL 82 -6.006 -26.259 7.621 549 HA VAL 82 HA VAL 82 -3.448 -25.457 8.835 550 HB VAL 82 HB VAL 82 -4.035 -27.929 7.155 551 1HG1 VAL 82 HG12 VAL 82 -1.665 -26.989 7.109 552 2HG1 VAL 82 HG11 VAL 82 -1.679 -27.002 8.862 553 3HG1 VAL 82 HG13 VAL 82 -1.761 -28.561 8.003 554 1HG2 VAL 82 HG22 VAL 82 -4.959 -27.745 9.554 555 2HG2 VAL 82 HG21 VAL 82 -3.812 -29.072 9.381 556 3HG2 VAL 82 HG23 VAL 82 -3.308 -27.545 10.117 557 H GLY 83 HN GLY 83 -2.484 -24.085 7.738 558 1HA GLY 83 HA1 GLY 83 -1.071 -23.979 5.820 559 2HA GLY 83 GLY 83 -2.448 -24.294 4.793 No H/Q in entry = 559
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