NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27258 | 2ppz | 15245 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -8.987 -10.611 4.908 2 2H MET 1 2H MET 1 -7.660 -11.165 5.728 3 3H MET 1 3H MET 1 -7.912 -9.537 5.567 4 HA MET 1 HA MET 1 -7.355 -11.413 3.415 5 1HB MET 1 1HB MET 1 -8.488 -8.748 3.458 6 2HB MET 1 2HB MET 1 -6.965 -8.775 2.557 7 1HG MET 1 1HG MET 1 -7.970 -9.668 0.799 8 2HG MET 1 2HG MET 1 -8.495 -11.037 1.781 9 1HE MET 1 1HE MET 1 -11.560 -9.867 -0.332 10 2HE MET 1 2HE MET 1 -9.971 -10.622 -0.454 11 3HE MET 1 3HE MET 1 -11.206 -11.329 0.590 12 H LEU 2 H LEU 2 -6.219 -8.843 5.548 13 HA LEU 2 HA LEU 2 -3.557 -9.884 5.519 14 1HB LEU 2 1HB LEU 2 -4.037 -8.256 3.423 15 2HB LEU 2 2HB LEU 2 -3.565 -7.063 4.646 16 HG LEU 2 HG LEU 2 -1.518 -8.733 4.940 17 1HD1 LEU 2 1HD1 LEU 2 -2.836 -9.661 2.555 18 2HD1 LEU 2 2HD1 LEU 2 -1.454 -10.341 3.413 19 3HD1 LEU 2 3HD1 LEU 2 -1.207 -9.092 2.193 20 1HD2 LEU 2 1HD2 LEU 2 -0.305 -7.330 3.257 21 2HD2 LEU 2 2HD2 LEU 2 -1.229 -6.418 4.451 22 3HD2 LEU 2 3HD2 LEU 2 -1.860 -6.623 2.816 23 H SER 3 H SER 3 -2.869 -9.652 7.533 24 HA SER 3 HA SER 3 -4.175 -8.159 9.491 25 1HB SER 3 1HB SER 3 -1.857 -9.872 9.328 26 2HB SER 3 2HB SER 3 -1.505 -8.469 10.350 27 HG SER 3 HG SER 3 -3.757 -10.175 10.637 28 H ASP 4 H ASP 4 -3.405 -6.334 10.735 29 HA ASP 4 HA ASP 4 -2.791 -4.103 9.163 30 1HB ASP 4 1HB ASP 4 -3.942 -3.814 11.254 31 2HB ASP 4 2HB ASP 4 -2.594 -4.528 12.148 32 HD2 ASP 4 HD2 ASP 4 -2.252 -0.765 10.954 33 H GLU 5 H GLU 5 -0.731 -6.193 11.120 34 HA GLU 5 HA GLU 5 1.621 -4.616 10.827 35 1HB GLU 5 1HB GLU 5 1.038 -7.411 11.748 36 2HB GLU 5 2HB GLU 5 2.711 -6.909 11.458 37 1HG GLU 5 1HG GLU 5 0.993 -5.174 13.164 38 2HG GLU 5 2HG GLU 5 1.595 -6.698 13.832 39 HE2 GLU 5 HE2 GLU 5 4.019 -3.705 13.773 40 H ASP 6 H ASP 6 0.200 -7.277 9.029 41 HA ASP 6 HA ASP 6 2.429 -7.848 7.391 42 1HB ASP 6 1HB ASP 6 0.396 -9.310 7.728 43 2HB ASP 6 2HB ASP 6 -0.476 -8.214 6.649 44 HD2 ASP 6 HD2 ASP 6 1.217 -9.399 3.841 45 H PHE 7 H PHE 7 0.083 -5.321 7.351 46 HA PHE 7 HA PHE 7 0.048 -4.584 4.676 47 1HB PHE 7 1HB PHE 7 -1.380 -3.602 6.464 48 2HB PHE 7 2HB PHE 7 0.026 -2.716 7.056 49 HD1 PHE 7 HD1 PHE 7 1.138 -1.029 5.557 50 HD2 PHE 7 HD2 PHE 7 -2.655 -2.746 4.678 51 HE1 PHE 7 HE1 PHE 7 0.669 0.815 3.996 52 HE2 PHE 7 HE2 PHE 7 -3.131 -0.906 3.116 53 HZ PHE 7 HZ PHE 7 -1.467 0.877 2.772 54 H LYS 8 H LYS 8 2.329 -3.636 7.223 55 HA LYS 8 HA LYS 8 3.898 -1.962 5.541 56 1HB LYS 8 1HB LYS 8 3.872 -1.697 7.975 57 2HB LYS 8 2HB LYS 8 4.599 -3.301 8.161 58 1HG LYS 8 1HG LYS 8 6.624 -2.546 7.033 59 2HG LYS 8 2HG LYS 8 5.897 -0.946 6.804 60 1HD LYS 8 1HD LYS 8 7.028 -0.478 8.714 61 2HD LYS 8 2HD LYS 8 5.584 -1.188 9.457 62 1HE LYS 8 1HE LYS 8 7.594 -3.180 8.693 63 2HE LYS 8 2HE LYS 8 8.172 -2.005 9.883 64 1HZ LYS 8 1HZ LYS 8 5.740 -2.633 10.847 65 2HZ LYS 8 2HZ LYS 8 7.187 -3.352 11.348 66 3HZ LYS 8 3HZ LYS 8 6.226 -4.111 10.181 67 H ALA 9 H ALA 9 3.764 -5.360 6.075 68 HA ALA 9 HA ALA 9 6.422 -5.984 5.247 69 1HB ALA 9 1HB ALA 9 5.091 -7.510 6.625 70 2HB ALA 9 2HB ALA 9 3.970 -7.742 5.282 71 3HB ALA 9 3HB ALA 9 5.642 -8.286 5.140 72 H VAL 10 H VAL 10 3.282 -5.867 3.613 73 HA VAL 10 HA VAL 10 4.370 -6.723 1.089 74 HB VAL 10 HB VAL 10 1.672 -5.678 1.921 75 1HG1 VAL 10 1HG1 VAL 10 2.034 -4.794 -0.284 76 2HG1 VAL 10 2HG1 VAL 10 2.616 -6.356 -0.862 77 3HG1 VAL 10 3HG1 VAL 10 0.926 -6.160 -0.398 78 1HG2 VAL 10 1HG2 VAL 10 2.480 -8.061 2.390 79 2HG2 VAL 10 2HG2 VAL 10 0.917 -7.871 1.595 80 3HG2 VAL 10 3HG2 VAL 10 2.339 -8.315 0.651 81 H PHE 11 H PHE 11 3.441 -3.666 2.578 82 HA PHE 11 HA PHE 11 3.603 -2.022 0.325 83 1HB PHE 11 1HB PHE 11 3.422 -1.692 3.191 84 2HB PHE 11 2HB PHE 11 4.534 -0.506 2.506 85 HD1 PHE 11 HD2 PHE 11 1.490 -1.940 0.945 86 HD2 PHE 11 HD1 PHE 11 3.355 1.495 2.629 87 HE1 PHE 11 HE2 PHE 11 -0.407 -0.555 0.211 88 HE2 PHE 11 HE1 PHE 11 1.460 2.886 1.899 89 HZ PHE 11 HZ PHE 11 -0.424 1.861 0.687 90 H GLY 12 H GLY 12 6.102 -3.083 2.592 91 1HA GLY 12 1HA GLY 12 8.365 -3.405 2.032 92 2HA GLY 12 2HA GLY 12 8.127 -2.422 0.595 93 H MET 13 H MET 13 6.790 -0.296 2.178 94 HA MET 13 HA MET 13 9.183 0.792 3.513 95 1HB MET 13 1HB MET 13 8.548 1.826 1.280 96 2HB MET 13 2HB MET 13 7.097 2.441 2.089 97 1HG MET 13 1HG MET 13 8.218 4.040 3.216 98 2HG MET 13 2HG MET 13 9.638 3.016 3.449 99 1HE MET 13 1HE MET 13 11.277 2.436 1.821 100 2HE MET 13 2HE MET 13 10.610 2.353 0.191 101 3HE MET 13 3HE MET 13 11.877 3.522 0.567 102 H THR 14 H THR 14 8.685 2.519 5.117 103 HA THR 14 HA THR 14 7.079 1.624 7.162 104 HB THR 14 HB THR 14 7.420 4.576 6.851 105 HG1 THR 14 HG1 THR 14 9.621 4.361 7.396 106 1HG2 THR 14 1HG2 THR 14 6.526 3.133 8.896 107 2HG2 THR 14 2HG2 THR 14 7.480 4.596 9.136 108 3HG2 THR 14 3HG2 THR 14 8.251 3.013 9.238 109 H ARG 15 H ARG 15 4.982 1.126 6.858 110 HA ARG 15 HA ARG 15 3.172 2.347 5.156 111 1HB ARG 15 1HB ARG 15 1.489 1.126 6.221 112 2HB ARG 15 2HB ARG 15 2.948 0.164 6.497 113 1HG ARG 15 1HG ARG 15 2.184 0.113 8.616 114 2HG ARG 15 2HG ARG 15 2.996 1.685 8.705 115 1HD ARG 15 1HD ARG 15 0.717 1.776 9.634 116 2HD ARG 15 2HD ARG 15 0.913 2.830 8.226 117 HE ARG 15 HE ARG 15 -0.584 1.527 7.064 118 1HH1 ARG 15 1HH1 ARG 15 0.358 -0.095 9.998 119 2HH1 ARG 15 2HH1 ARG 15 -0.851 -1.329 9.858 120 1HH2 ARG 15 1HH2 ARG 15 -2.179 -0.092 6.870 121 2HH2 ARG 15 2HH2 ARG 15 -2.293 -1.326 8.078 122 H SER 16 H SER 16 4.288 3.349 8.285 123 HA SER 16 HA SER 16 2.172 5.127 8.915 124 1HB SER 16 1HB SER 16 4.860 4.511 9.961 125 2HB SER 16 2HB SER 16 4.341 6.187 10.210 126 HG SER 16 HG SER 16 2.568 4.093 10.807 127 H ALA 17 H ALA 17 5.323 5.589 7.353 128 HA ALA 17 HA ALA 17 4.991 8.396 6.977 129 1HB ALA 17 1HB ALA 17 6.851 6.510 5.536 130 2HB ALA 17 2HB ALA 17 6.984 8.268 5.612 131 3HB ALA 17 3HB ALA 17 7.197 7.304 7.073 132 H PHE 18 H PHE 18 4.283 5.542 5.061 133 HA PHE 18 HA PHE 18 3.707 6.985 2.656 134 1HB PHE 18 1HB PHE 18 3.725 4.195 3.545 135 2HB PHE 18 2HB PHE 18 2.402 4.555 2.434 136 HD1 PHE 18 HD1 PHE 18 5.790 6.060 2.459 137 HD2 PHE 18 HD2 PHE 18 3.052 3.477 0.471 138 HE1 PHE 18 HE1 PHE 18 7.327 5.908 0.544 139 HE2 PHE 18 HE2 PHE 18 4.586 3.320 -1.446 140 HZ PHE 18 HZ PHE 18 6.727 4.537 -1.411 141 H ALA 19 H ALA 19 1.835 5.757 5.367 142 HA ALA 19 HA ALA 19 -0.736 6.068 4.318 143 1HB ALA 19 1HB ALA 19 -0.298 4.862 6.386 144 2HB ALA 19 2HB ALA 19 0.169 6.367 7.179 145 3HB ALA 19 3HB ALA 19 -1.495 6.131 6.645 146 H ASN 20 H ASN 20 1.576 8.415 5.260 147 HA ASN 20 HA ASN 20 -0.087 10.542 6.020 148 1HB ASN 20 1HB ASN 20 2.654 10.464 4.748 149 2HB ASN 20 2HB ASN 20 1.869 11.975 5.222 150 1HD2 ASN 20 1HD2 ASN 20 0.724 11.471 7.564 151 2HD2 ASN 20 2HD2 ASN 20 1.892 11.004 8.748 152 H LEU 21 H LEU 21 0.412 9.070 2.981 153 HA LEU 21 HA LEU 21 -0.596 11.397 1.520 154 1HB LEU 21 1HB LEU 21 1.031 9.057 0.868 155 2HB LEU 21 2HB LEU 21 -0.244 9.380 -0.320 156 HG LEU 21 HG LEU 21 0.656 11.485 -0.874 157 1HD1 LEU 21 1HD1 LEU 21 2.515 12.517 0.346 158 2HD1 LEU 21 2HD1 LEU 21 2.463 11.206 1.522 159 3HD1 LEU 21 3HD1 LEU 21 1.093 12.305 1.368 160 1HD2 LEU 21 1HD2 LEU 21 2.206 9.146 -1.044 161 2HD2 LEU 21 2HD2 LEU 21 3.316 10.455 -0.641 162 3HD2 LEU 21 3HD2 LEU 21 2.289 10.579 -2.070 163 HA PRO 22 HA PRO 22 -4.679 9.868 1.028 164 1HB PRO 22 1HB PRO 22 -5.258 10.550 -1.561 165 2HB PRO 22 2HB PRO 22 -5.118 11.725 -0.253 166 1HG PRO 22 1HG PRO 22 -3.084 10.909 -2.300 167 2HG PRO 22 2HG PRO 22 -3.535 12.560 -1.737 168 1HD PRO 22 1HD PRO 22 -1.308 11.274 -0.868 169 2HD PRO 22 2HD PRO 22 -2.241 12.373 0.161 170 H LEU 23 H LEU 23 -6.019 8.286 -0.022 171 HA LEU 23 HA LEU 23 -4.662 5.908 -0.689 172 1HB LEU 23 1HB LEU 23 -7.422 6.802 -0.377 173 2HB LEU 23 2HB LEU 23 -7.229 5.579 -1.645 174 HG LEU 23 HG LEU 23 -5.905 4.932 0.899 175 1HD1 LEU 23 1HD1 LEU 23 -7.821 5.955 1.874 176 2HD1 LEU 23 2HD1 LEU 23 -8.074 4.211 1.916 177 3HD1 LEU 23 3HD1 LEU 23 -8.898 5.192 0.705 178 1HD2 LEU 23 1HD2 LEU 23 -6.794 3.620 -1.408 179 2HD2 LEU 23 2HD2 LEU 23 -7.828 3.043 -0.100 180 3HD2 LEU 23 3HD2 LEU 23 -6.075 2.895 0.030 181 H TRP 24 H TRP 24 -5.592 8.603 -2.571 182 HA TRP 24 HA TRP 24 -6.063 7.503 -5.074 183 1HB TRP 24 1HB TRP 24 -4.863 10.106 -4.163 184 2HB TRP 24 2HB TRP 24 -4.932 9.714 -5.883 185 HD1 TRP 24 HD1 TRP 24 -7.188 10.654 -2.958 186 HE1 TRP 24 HE1 TRP 24 -9.527 11.230 -3.865 187 HE3 TRP 24 HE3 TRP 24 -6.560 9.191 -7.816 188 HZ2 TRP 24 HZ2 TRP 24 -10.921 11.083 -6.315 189 HZ3 TRP 24 HZ3 TRP 24 -8.445 9.441 -9.377 190 HH2 TRP 24 HH2 TRP 24 -10.580 10.368 -8.640 191 H LYS 25 H LYS 25 -2.988 8.266 -3.500 192 HA LYS 25 HA LYS 25 -1.392 7.508 -5.750 193 1HB LYS 25 1HB LYS 25 -0.809 9.083 -3.762 194 2HB LYS 25 2HB LYS 25 -0.374 7.585 -2.927 195 1HG LYS 25 1HG LYS 25 0.797 7.692 -5.574 196 2HG LYS 25 2HG LYS 25 1.252 9.093 -4.589 197 1HD LYS 25 1HD LYS 25 1.704 7.317 -2.730 198 2HD LYS 25 2HD LYS 25 1.770 6.189 -4.094 199 1HE LYS 25 1HE LYS 25 3.421 7.866 -5.151 200 2HE LYS 25 2HE LYS 25 3.539 8.543 -3.521 201 1HZ LYS 25 1HZ LYS 25 4.052 6.175 -2.800 202 2HZ LYS 25 2HZ LYS 25 5.260 6.999 -3.648 203 3HZ LYS 25 3HZ LYS 25 4.311 5.843 -4.438 204 H GLN 26 H GLN 26 -2.856 5.837 -3.109 205 HA GLN 26 HA GLN 26 -1.149 3.564 -3.082 206 1HB GLN 26 1HB GLN 26 -3.322 4.497 -1.580 207 2HB GLN 26 2HB GLN 26 -3.866 2.967 -2.285 208 1HG GLN 26 1HG GLN 26 -2.593 1.750 -0.924 209 2HG GLN 26 2HG GLN 26 -1.183 2.783 -1.200 210 1HE2 GLN 26 1HE2 GLN 26 -3.966 2.209 0.787 211 2HE2 GLN 26 2HE2 GLN 26 -3.525 3.275 2.072 212 H GLN 27 H GLN 27 -3.760 4.576 -5.099 213 HA GLN 27 HA GLN 27 -4.666 2.111 -6.064 214 1HB GLN 27 1HB GLN 27 -4.931 4.905 -6.765 215 2HB GLN 27 2HB GLN 27 -4.784 3.902 -8.219 216 1HG GLN 27 1HG GLN 27 -6.706 2.664 -7.721 217 2HG GLN 27 2HG GLN 27 -6.717 3.212 -6.039 218 1HE2 GLN 27 1HE2 GLN 27 -9.030 3.506 -6.998 219 2HE2 GLN 27 2HE2 GLN 27 -9.383 5.107 -7.545 220 H ASN 28 H ASN 28 -1.831 3.994 -6.844 221 HA ASN 28 HA ASN 28 -1.182 2.438 -9.186 222 1HB ASN 28 1HB ASN 28 -0.520 4.760 -9.153 223 2HB ASN 28 2HB ASN 28 0.372 4.525 -7.645 224 1HD2 ASN 28 1HD2 ASN 28 2.196 5.399 -8.766 225 2HD2 ASN 28 2HD2 ASN 28 3.142 4.388 -9.799 226 H LEU 29 H LEU 29 -0.007 2.703 -5.853 227 HA LEU 29 HA LEU 29 2.152 0.973 -5.988 228 1HB LEU 29 1HB LEU 29 0.791 2.351 -4.000 229 2HB LEU 29 2HB LEU 29 0.629 0.648 -3.537 230 HG LEU 29 HG LEU 29 3.226 2.113 -4.003 231 1HD1 LEU 29 1HD1 LEU 29 3.450 1.519 -1.508 232 2HD1 LEU 29 2HD1 LEU 29 1.696 1.343 -1.547 233 3HD1 LEU 29 3HD1 LEU 29 2.436 2.890 -1.961 234 1HD2 LEU 29 1HD2 LEU 29 2.883 -0.644 -2.864 235 2HD2 LEU 29 2HD2 LEU 29 4.356 0.139 -3.438 236 3HD2 LEU 29 3HD2 LEU 29 3.119 -0.367 -4.590 237 H LYS 30 H LYS 30 -1.266 0.235 -5.412 238 HA LYS 30 HA LYS 30 -0.985 -2.511 -4.935 239 1HB LYS 30 1HB LYS 30 -3.042 -1.248 -4.465 240 2HB LYS 30 2HB LYS 30 -3.309 -1.051 -6.205 241 1HG LYS 30 1HG LYS 30 -3.800 -3.316 -6.521 242 2HG LYS 30 2HG LYS 30 -3.090 -3.768 -4.961 243 1HD LYS 30 1HD LYS 30 -5.232 -1.831 -4.638 244 2HD LYS 30 2HD LYS 30 -5.777 -3.290 -5.486 245 1HE LYS 30 1HE LYS 30 -6.116 -3.869 -3.265 246 2HE LYS 30 2HE LYS 30 -4.520 -4.556 -3.602 247 1HZ LYS 30 1HZ LYS 30 -4.552 -1.823 -2.607 248 2HZ LYS 30 2HZ LYS 30 -3.499 -3.096 -2.245 249 3HZ LYS 30 3HZ LYS 30 -5.018 -3.021 -1.506 250 H LYS 31 H LYS 31 -1.181 -0.677 -7.919 251 HA LYS 31 HA LYS 31 -1.430 -3.005 -9.591 252 1HB LYS 31 1HB LYS 31 -2.321 -0.736 -10.185 253 2HB LYS 31 2HB LYS 31 -0.647 -0.199 -10.396 254 1HG LYS 31 1HG LYS 31 -0.414 -2.104 -12.082 255 2HG LYS 31 2HG LYS 31 -2.183 -2.192 -12.027 256 1HD LYS 31 1HD LYS 31 -2.144 -0.645 -13.650 257 2HD LYS 31 2HD LYS 31 -1.749 0.495 -12.352 258 1HE LYS 31 1HE LYS 31 0.596 0.321 -12.786 259 2HE LYS 31 2HE LYS 31 0.339 -1.041 -13.886 260 1HZ LYS 31 1HZ LYS 31 -1.185 1.161 -14.759 261 2HZ LYS 31 2HZ LYS 31 0.075 0.364 -15.558 262 3HZ LYS 31 3HZ LYS 31 0.415 1.660 -14.524 263 H GLU 32 H GLU 32 1.155 -1.138 -8.237 264 HA GLU 32 HA GLU 32 3.204 -1.843 -10.044 265 1HB GLU 32 1HB GLU 32 3.374 0.008 -8.413 266 2HB GLU 32 2HB GLU 32 3.438 -1.182 -7.103 267 1HG GLU 32 1HG GLU 32 5.621 -1.456 -7.351 268 2HG GLU 32 2HG GLU 32 5.429 -1.785 -9.079 269 HE2 GLU 32 HE2 GLU 32 7.222 1.434 -8.269 270 H LYS 33 H LYS 33 1.886 -3.418 -7.194 271 HA LYS 33 HA LYS 33 3.569 -5.760 -7.793 272 1HB LYS 33 1HB LYS 33 2.954 -4.425 -5.192 273 2HB LYS 33 2HB LYS 33 3.124 -6.187 -5.211 274 1HG LYS 33 1HG LYS 33 5.348 -6.109 -5.457 275 2HG LYS 33 2HG LYS 33 5.264 -4.766 -6.611 276 1HD LYS 33 1HD LYS 33 4.667 -3.306 -4.570 277 2HD LYS 33 2HD LYS 33 5.279 -4.665 -3.611 278 1HE LYS 33 1HE LYS 33 7.457 -4.452 -4.454 279 2HE LYS 33 2HE LYS 33 6.910 -3.492 -5.837 280 1HZ LYS 33 1HZ LYS 33 6.354 -2.314 -3.254 281 2HZ LYS 33 2HZ LYS 33 6.971 -1.603 -4.659 282 3HZ LYS 33 3HZ LYS 33 7.999 -2.458 -3.622 283 H LEU 34 H LEU 34 0.765 -5.041 -5.709 284 HA LEU 34 HA LEU 34 -0.450 -7.529 -5.959 285 1HB LEU 34 1HB LEU 34 -1.159 -4.895 -4.950 286 2HB LEU 34 2HB LEU 34 -2.548 -5.741 -5.653 287 HG LEU 34 HG LEU 34 -2.320 -6.051 -3.204 288 1HD1 LEU 34 1HD1 LEU 34 -1.898 -8.655 -4.641 289 2HD1 LEU 34 2HD1 LEU 34 -3.385 -7.719 -4.789 290 3HD1 LEU 34 3HD1 LEU 34 -2.883 -8.335 -3.214 291 1HD2 LEU 34 1HD2 LEU 34 0.119 -6.043 -3.073 292 2HD2 LEU 34 2HD2 LEU 34 0.178 -7.568 -3.956 293 3HD2 LEU 34 3HD2 LEU 34 -0.554 -7.505 -2.351 294 H LEU 35 H LEU 35 -2.836 -7.638 -6.881 295 HA LEU 35 HA LEU 35 -2.664 -6.817 -9.705 296 1HB LEU 35 1HB LEU 35 -3.077 -9.355 -8.506 297 2HB LEU 35 2HB LEU 35 -4.590 -8.882 -9.298 298 HG LEU 35 HG LEU 35 -3.263 -10.230 -10.796 299 1HD1 LEU 35 1HD1 LEU 35 -3.201 -8.766 -12.710 300 2HD1 LEU 35 2HD1 LEU 35 -3.180 -7.345 -11.666 301 3HD1 LEU 35 3HD1 LEU 35 -4.608 -8.378 -11.720 302 1HD2 LEU 35 1HD2 LEU 35 -1.048 -10.142 -10.480 303 2HD2 LEU 35 2HD2 LEU 35 -1.109 -8.505 -9.828 304 3HD2 LEU 35 3HD2 LEU 35 -1.097 -8.760 -11.574 305 H PHE 36 H PHE 36 -5.014 -7.494 -7.115 306 HA PHE 36 HA PHE 36 -6.693 -5.338 -8.207 307 1HB PHE 36 1HB PHE 36 -7.343 -8.065 -8.202 308 2HB PHE 36 2HB PHE 36 -8.255 -7.374 -6.858 309 HD1 PHE 36 HD1 PHE 36 -9.452 -5.068 -7.428 310 HD2 PHE 36 HD2 PHE 36 -8.359 -8.043 -10.270 311 HE1 PHE 36 HE1 PHE 36 -11.142 -4.195 -8.988 312 HE2 PHE 36 HE2 PHE 36 -10.047 -7.173 -11.834 313 HZ PHE 36 HZ PHE 36 -11.441 -5.246 -11.195 Start of MODEL 2 1 1H MET 1 1H MET 1 -8.639 -10.595 2.336 2 2H MET 1 2H MET 1 -7.470 -9.497 1.927 3 3H MET 1 3H MET 1 -7.075 -11.093 2.121 4 HA MET 1 HA MET 1 -8.027 -9.290 4.196 5 1HB MET 1 1HB MET 1 -7.451 -11.164 5.727 6 2HB MET 1 2HB MET 1 -8.790 -11.534 4.631 7 1HG MET 1 1HG MET 1 -6.150 -12.305 3.606 8 2HG MET 1 2HG MET 1 -6.645 -13.142 5.080 9 1HE MET 1 1HE MET 1 -7.002 -14.769 1.407 10 2HE MET 1 2HE MET 1 -5.851 -14.371 2.684 11 3HE MET 1 3HE MET 1 -6.932 -15.752 2.870 12 H LEU 2 H LEU 2 -6.476 -8.329 5.427 13 HA LEU 2 HA LEU 2 -3.724 -9.136 5.335 14 1HB LEU 2 1HB LEU 2 -4.401 -7.627 3.233 15 2HB LEU 2 2HB LEU 2 -4.089 -6.344 4.415 16 HG LEU 2 HG LEU 2 -1.810 -7.382 4.764 17 1HD1 LEU 2 1HD1 LEU 2 -2.851 -9.458 3.302 18 2HD1 LEU 2 2HD1 LEU 2 -1.141 -9.188 3.638 19 3HD1 LEU 2 3HD1 LEU 2 -1.842 -8.615 2.125 20 1HD2 LEU 2 1HD2 LEU 2 -1.809 -5.398 3.558 21 2HD2 LEU 2 2HD2 LEU 2 -2.697 -6.101 2.206 22 3HD2 LEU 2 3HD2 LEU 2 -1.005 -6.525 2.465 23 H SER 3 H SER 3 -3.190 -8.952 7.401 24 HA SER 3 HA SER 3 -4.519 -7.215 9.216 25 1HB SER 3 1HB SER 3 -2.875 -9.463 9.423 26 2HB SER 3 2HB SER 3 -1.933 -8.156 10.161 27 HG SER 3 HG SER 3 -3.386 -7.945 11.716 28 H ASP 4 H ASP 4 -3.401 -5.614 10.591 29 HA ASP 4 HA ASP 4 -2.307 -3.536 9.091 30 1HB ASP 4 1HB ASP 4 -1.732 -2.498 11.267 31 2HB ASP 4 2HB ASP 4 -3.384 -3.128 11.227 32 HD2 ASP 4 HD2 ASP 4 -1.081 -4.399 14.032 33 H GLU 5 H GLU 5 -0.733 -6.063 10.984 34 HA GLU 5 HA GLU 5 1.897 -5.004 10.730 35 1HB GLU 5 1HB GLU 5 0.682 -7.555 11.668 36 2HB GLU 5 2HB GLU 5 2.393 -7.585 11.214 37 1HG GLU 5 1HG GLU 5 2.421 -5.409 12.767 38 2HG GLU 5 2HG GLU 5 1.062 -6.273 13.500 39 HE2 GLU 5 HE2 GLU 5 3.129 -8.669 14.881 40 H ASP 6 H ASP 6 -0.056 -7.216 8.836 41 HA ASP 6 HA ASP 6 2.087 -8.071 7.141 42 1HB ASP 6 1HB ASP 6 -0.183 -9.245 7.649 43 2HB ASP 6 2HB ASP 6 -0.810 -8.206 6.363 44 HD2 ASP 6 HD2 ASP 6 0.951 -11.428 5.275 45 H PHE 7 H PHE 7 -0.090 -5.390 7.203 46 HA PHE 7 HA PHE 7 -0.133 -4.660 4.511 47 1HB PHE 7 1HB PHE 7 -1.535 -3.647 6.306 48 2HB PHE 7 2HB PHE 7 -0.105 -2.795 6.891 49 HD1 PHE 7 HD2 PHE 7 1.015 -1.102 5.435 50 HD2 PHE 7 HD1 PHE 7 -2.768 -2.802 4.474 51 HE1 PHE 7 HE2 PHE 7 0.584 0.749 3.873 52 HE2 PHE 7 HE1 PHE 7 -3.204 -0.953 2.909 53 HZ PHE 7 HZ PHE 7 -1.528 0.826 2.608 54 H LYS 8 H LYS 8 2.164 -3.781 7.068 55 HA LYS 8 HA LYS 8 3.784 -2.144 5.403 56 1HB LYS 8 1HB LYS 8 3.703 -2.000 7.892 57 2HB LYS 8 2HB LYS 8 4.562 -3.545 7.966 58 1HG LYS 8 1HG LYS 8 6.535 -2.638 7.083 59 2HG LYS 8 2HG LYS 8 5.698 -1.187 6.505 60 1HD LYS 8 1HD LYS 8 5.727 -0.173 8.539 61 2HD LYS 8 2HD LYS 8 5.569 -1.705 9.415 62 1HE LYS 8 1HE LYS 8 8.106 -1.144 7.927 63 2HE LYS 8 2HE LYS 8 7.815 -0.338 9.475 64 1HZ LYS 8 1HZ LYS 8 7.211 -2.817 10.151 65 2HZ LYS 8 2HZ LYS 8 8.786 -2.208 10.246 66 3HZ LYS 8 3HZ LYS 8 8.322 -3.152 8.921 67 H ALA 9 H ALA 9 3.534 -5.537 5.872 68 HA ALA 9 HA ALA 9 6.177 -6.244 5.066 69 1HB ALA 9 1HB ALA 9 3.659 -7.905 5.032 70 2HB ALA 9 2HB ALA 9 5.309 -8.513 4.892 71 3HB ALA 9 3HB ALA 9 4.774 -7.751 6.390 72 H VAL 10 H VAL 10 3.063 -6.003 3.391 73 HA VAL 10 HA VAL 10 4.169 -6.826 0.864 74 HB VAL 10 HB VAL 10 1.484 -5.740 1.681 75 1HG1 VAL 10 1HG1 VAL 10 1.897 -4.812 -0.497 76 2HG1 VAL 10 2HG1 VAL 10 2.454 -6.374 -1.103 77 3HG1 VAL 10 3HG1 VAL 10 0.761 -6.150 -0.659 78 1HG2 VAL 10 1HG2 VAL 10 0.686 -7.906 1.292 79 2HG2 VAL 10 2HG2 VAL 10 2.111 -8.361 0.358 80 3HG2 VAL 10 3HG2 VAL 10 2.232 -8.152 2.104 81 H PHE 11 H PHE 11 3.285 -3.784 2.409 82 HA PHE 11 HA PHE 11 3.518 -2.092 0.197 83 1HB PHE 11 1HB PHE 11 3.297 -1.824 3.066 84 2HB PHE 11 2HB PHE 11 4.448 -0.649 2.428 85 HD1 PHE 11 HD1 PHE 11 1.402 -1.973 0.776 86 HD2 PHE 11 HD2 PHE 11 3.311 1.376 2.581 87 HE1 PHE 11 HE1 PHE 11 -0.449 -0.527 0.042 88 HE2 PHE 11 HE2 PHE 11 1.463 2.828 1.851 89 HZ PHE 11 HZ PHE 11 -0.421 1.876 0.581 90 H GLY 12 H GLY 12 5.957 -3.245 2.486 91 1HA GLY 12 1HA GLY 12 8.222 -3.607 1.958 92 2HA GLY 12 2HA GLY 12 8.028 -2.596 0.534 93 H MET 13 H MET 13 6.708 -0.470 2.134 94 HA MET 13 HA MET 13 9.101 0.548 3.521 95 1HB MET 13 1HB MET 13 8.519 1.634 1.300 96 2HB MET 13 2HB MET 13 7.066 2.258 2.096 97 1HG MET 13 1HG MET 13 8.194 3.821 3.267 98 2HG MET 13 2HG MET 13 9.591 2.768 3.509 99 1HE MET 13 1HE MET 13 9.665 6.030 2.719 100 2HE MET 13 2HE MET 13 10.979 4.992 3.275 101 3HE MET 13 3HE MET 13 11.153 5.913 1.781 102 H THR 14 H THR 14 8.617 2.252 5.151 103 HA THR 14 HA THR 14 6.962 1.351 7.156 104 HB THR 14 HB THR 14 7.178 4.274 7.128 105 HG1 THR 14 HG1 THR 14 9.059 4.084 6.047 106 1HG2 THR 14 1HG2 THR 14 7.707 1.989 8.940 107 2HG2 THR 14 2HG2 THR 14 6.876 3.515 9.252 108 3HG2 THR 14 3HG2 THR 14 8.639 3.460 9.217 109 H ARG 15 H ARG 15 4.859 0.904 6.810 110 HA ARG 15 HA ARG 15 3.101 2.197 5.108 111 1HB ARG 15 1HB ARG 15 1.376 0.992 6.126 112 2HB ARG 15 2HB ARG 15 2.810 -0.007 6.402 113 1HG ARG 15 1HG ARG 15 2.016 -0.084 8.508 114 2HG ARG 15 2HG ARG 15 2.863 1.467 8.641 115 1HD ARG 15 1HD ARG 15 0.573 1.590 9.542 116 2HD ARG 15 2HD ARG 15 0.813 2.669 8.160 117 HE ARG 15 HE ARG 15 -0.696 1.426 6.948 118 1HH1 ARG 15 1HH1 ARG 15 0.162 -0.277 9.862 119 2HH1 ARG 15 2HH1 ARG 15 -1.074 -1.477 9.679 120 1HH2 ARG 15 1HH2 ARG 15 -2.327 -0.149 6.698 121 2HH2 ARG 15 2HH2 ARG 15 -2.488 -1.404 7.879 122 H SER 16 H SER 16 4.190 3.111 8.275 123 HA SER 16 HA SER 16 2.105 4.924 8.908 124 1HB SER 16 1HB SER 16 4.294 3.908 10.244 125 2HB SER 16 2HB SER 16 4.744 5.603 9.993 126 HG SER 16 HG SER 16 2.535 4.551 11.390 127 H ALA 17 H ALA 17 5.289 5.346 7.403 128 HA ALA 17 HA ALA 17 5.025 8.166 7.080 129 1HB ALA 17 1HB ALA 17 7.205 7.024 7.185 130 2HB ALA 17 2HB ALA 17 6.863 6.268 5.627 131 3HB ALA 17 3HB ALA 17 7.033 8.020 5.739 132 H PHE 18 H PHE 18 4.281 5.369 5.094 133 HA PHE 18 HA PHE 18 3.771 6.874 2.713 134 1HB PHE 18 1HB PHE 18 3.714 4.067 3.544 135 2HB PHE 18 2HB PHE 18 2.417 4.480 2.420 136 HD1 PHE 18 HD2 PHE 18 5.836 5.908 2.526 137 HD2 PHE 18 HD1 PHE 18 3.074 3.424 0.449 138 HE1 PHE 18 HE2 PHE 18 7.398 5.759 0.632 139 HE2 PHE 18 HE1 PHE 18 4.632 3.271 -1.449 140 HZ PHE 18 HZ PHE 18 6.798 4.441 -1.359 141 H ALA 19 H ALA 19 1.834 5.632 5.370 142 HA ALA 19 HA ALA 19 -0.714 6.042 4.281 143 1HB ALA 19 1HB ALA 19 -1.517 6.026 6.591 144 2HB ALA 19 2HB ALA 19 -0.342 4.741 6.307 145 3HB ALA 19 3HB ALA 19 0.140 6.202 7.170 146 H ASN 20 H ASN 20 1.644 8.284 5.351 147 HA ASN 20 HA ASN 20 0.025 10.423 6.173 148 1HB ASN 20 1HB ASN 20 2.729 9.970 5.979 149 2HB ASN 20 2HB ASN 20 2.463 11.187 4.723 150 1HD2 ASN 20 1HD2 ASN 20 1.825 10.496 8.125 151 2HD2 ASN 20 2HD2 ASN 20 1.860 12.141 8.650 152 H LEU 21 H LEU 21 0.537 9.061 3.087 153 HA LEU 21 HA LEU 21 -0.351 11.475 1.694 154 1HB LEU 21 1HB LEU 21 1.161 9.075 0.986 155 2HB LEU 21 2HB LEU 21 -0.084 9.498 -0.203 156 HG LEU 21 HG LEU 21 0.925 11.576 -0.677 157 1HD1 LEU 21 1HD1 LEU 21 1.398 12.271 1.607 158 2HD1 LEU 21 2HD1 LEU 21 2.817 12.474 0.581 159 3HD1 LEU 21 3HD1 LEU 21 2.726 11.112 1.697 160 1HD2 LEU 21 1HD2 LEU 21 2.363 9.158 -0.904 161 2HD2 LEU 21 2HD2 LEU 21 3.527 10.419 -0.495 162 3HD2 LEU 21 3HD2 LEU 21 2.489 10.601 -1.910 163 HA PRO 22 HA PRO 22 -4.503 10.178 1.117 164 1HB PRO 22 1HB PRO 22 -5.017 10.974 -1.453 165 2HB PRO 22 2HB PRO 22 -4.832 12.095 -0.105 166 1HG PRO 22 1HG PRO 22 -2.820 11.240 -2.160 167 2HG PRO 22 2HG PRO 22 -3.191 12.895 -1.547 168 1HD PRO 22 1HD PRO 22 -1.043 11.466 -0.701 169 2HD PRO 22 2HD PRO 22 -1.929 12.580 0.355 170 H LEU 23 H LEU 23 -5.913 8.705 -0.000 171 HA LEU 23 HA LEU 23 -4.679 6.279 -0.725 172 1HB LEU 23 1HB LEU 23 -7.428 7.339 -0.566 173 2HB LEU 23 2HB LEU 23 -7.190 5.999 -1.701 174 HG LEU 23 HG LEU 23 -6.204 5.731 1.107 175 1HD1 LEU 23 1HD1 LEU 23 -8.801 6.455 0.661 176 2HD1 LEU 23 2HD1 LEU 23 -8.223 5.526 2.044 177 3HD1 LEU 23 3HD1 LEU 23 -8.894 4.693 0.642 178 1HD2 LEU 23 1HD2 LEU 23 -6.547 3.404 0.710 179 2HD2 LEU 23 2HD2 LEU 23 -5.691 4.064 -0.685 180 3HD2 LEU 23 3HD2 LEU 23 -7.420 3.730 -0.788 181 H TRP 24 H TRP 24 -5.478 9.074 -2.543 182 HA TRP 24 HA TRP 24 -5.930 8.056 -5.085 183 1HB TRP 24 1HB TRP 24 -5.031 10.609 -3.938 184 2HB TRP 24 2HB TRP 24 -4.439 10.319 -5.574 185 HD1 TRP 24 HD1 TRP 24 -7.772 10.642 -3.665 186 HE1 TRP 24 HE1 TRP 24 -9.601 11.318 -5.346 187 HE3 TRP 24 HE3 TRP 24 -5.056 10.337 -7.986 188 HZ2 TRP 24 HZ2 TRP 24 -9.857 11.673 -8.135 189 HZ3 TRP 24 HZ3 TRP 24 -6.166 10.861 -10.117 190 HH2 TRP 24 HH2 TRP 24 -8.519 11.515 -10.188 191 H LYS 25 H LYS 25 -2.827 8.910 -3.567 192 HA LYS 25 HA LYS 25 -1.265 8.022 -5.782 193 1HB LYS 25 1HB LYS 25 -0.579 9.724 -4.033 194 2HB LYS 25 2HB LYS 25 -0.320 8.360 -2.935 195 1HG LYS 25 1HG LYS 25 1.012 8.262 -5.592 196 2HG LYS 25 2HG LYS 25 1.640 9.393 -4.379 197 1HD LYS 25 1HD LYS 25 1.351 7.171 -2.858 198 2HD LYS 25 2HD LYS 25 1.706 6.444 -4.435 199 1HE LYS 25 1HE LYS 25 3.394 8.702 -3.393 200 2HE LYS 25 2HE LYS 25 3.665 7.043 -2.839 201 1HZ LYS 25 1HZ LYS 25 4.272 6.344 -4.946 202 2HZ LYS 25 2HZ LYS 25 4.968 7.883 -4.859 203 3HZ LYS 25 3HZ LYS 25 3.532 7.652 -5.723 204 H GLN 26 H GLN 26 -2.686 6.475 -3.048 205 HA GLN 26 HA GLN 26 -0.957 4.208 -2.966 206 1HB GLN 26 1HB GLN 26 -2.803 5.207 -1.267 207 2HB GLN 26 2HB GLN 26 -3.745 3.910 -2.019 208 1HG GLN 26 1HG GLN 26 -2.532 2.259 -1.063 209 2HG GLN 26 2HG GLN 26 -1.032 3.196 -1.107 210 1HE2 GLN 26 1HE2 GLN 26 -4.089 2.818 0.585 211 2HE2 GLN 26 2HE2 GLN 26 -3.546 3.463 2.093 212 H GLN 27 H GLN 27 -3.707 5.113 -4.859 213 HA GLN 27 HA GLN 27 -4.636 2.595 -5.655 214 1HB GLN 27 1HB GLN 27 -4.713 5.335 -6.874 215 2HB GLN 27 2HB GLN 27 -5.287 3.941 -7.802 216 1HG GLN 27 1HG GLN 27 -6.323 4.253 -5.039 217 2HG GLN 27 2HG GLN 27 -6.889 5.396 -6.265 218 1HE2 GLN 27 1HE2 GLN 27 -8.966 4.653 -6.349 219 2HE2 GLN 27 2HE2 GLN 27 -9.396 3.102 -6.978 220 H ASN 28 H ASN 28 -2.076 4.645 -6.979 221 HA ASN 28 HA ASN 28 -1.513 3.066 -9.245 222 1HB ASN 28 1HB ASN 28 -0.763 5.428 -8.903 223 2HB ASN 28 2HB ASN 28 0.413 4.835 -7.724 224 1HD2 ASN 28 1HD2 ASN 28 1.516 6.177 -9.640 225 2HD2 ASN 28 2HD2 ASN 28 2.275 5.168 -10.819 226 H LEU 29 H LEU 29 -0.151 3.086 -5.974 227 HA LEU 29 HA LEU 29 1.902 1.257 -6.318 228 1HB LEU 29 1HB LEU 29 0.722 2.590 -4.188 229 2HB LEU 29 2HB LEU 29 0.493 0.874 -3.808 230 HG LEU 29 HG LEU 29 3.136 2.231 -4.339 231 1HD1 LEU 29 1HD1 LEU 29 2.497 2.930 -2.218 232 2HD1 LEU 29 2HD1 LEU 29 3.459 1.488 -1.894 233 3HD1 LEU 29 3HD1 LEU 29 1.698 1.403 -1.846 234 1HD2 LEU 29 1HD2 LEU 29 2.709 -0.564 -3.329 235 2HD2 LEU 29 2HD2 LEU 29 4.189 0.175 -3.941 236 3HD2 LEU 29 3HD2 LEU 29 2.868 -0.205 -5.048 237 H LYS 30 H LYS 30 -1.517 0.665 -5.602 238 HA LYS 30 HA LYS 30 -1.379 -2.106 -5.265 239 1HB LYS 30 1HB LYS 30 -3.359 -0.869 -4.645 240 2HB LYS 30 2HB LYS 30 -3.623 -0.384 -6.328 241 1HG LYS 30 1HG LYS 30 -4.611 -2.320 -6.881 242 2HG LYS 30 2HG LYS 30 -3.488 -3.281 -5.903 243 1HD LYS 30 1HD LYS 30 -5.293 -3.603 -4.586 244 2HD LYS 30 2HD LYS 30 -4.862 -2.005 -3.954 245 1HE LYS 30 1HE LYS 30 -6.715 -2.343 -6.309 246 2HE LYS 30 2HE LYS 30 -7.293 -2.379 -4.638 247 1HZ LYS 30 1HZ LYS 30 -7.382 -0.180 -4.735 248 2HZ LYS 30 2HZ LYS 30 -6.605 -0.140 -6.237 249 3HZ LYS 30 3HZ LYS 30 -5.691 -0.145 -4.815 250 H LYS 31 H LYS 31 -1.529 -0.140 -8.164 251 HA LYS 31 HA LYS 31 -1.975 -2.366 -9.927 252 1HB LYS 31 1HB LYS 31 -2.708 -0.017 -10.406 253 2HB LYS 31 2HB LYS 31 -1.001 0.408 -10.626 254 1HG LYS 31 1HG LYS 31 -1.914 -1.899 -12.209 255 2HG LYS 31 2HG LYS 31 -2.662 -0.345 -12.622 256 1HD LYS 31 1HD LYS 31 -0.729 0.545 -13.415 257 2HD LYS 31 2HD LYS 31 0.268 -0.320 -12.232 258 1HE LYS 31 1HE LYS 31 -0.073 -2.419 -13.505 259 2HE LYS 31 2HE LYS 31 -0.994 -1.501 -14.705 260 1HZ LYS 31 1HZ LYS 31 1.744 -0.663 -14.027 261 2HZ LYS 31 2HZ LYS 31 0.878 -0.424 -15.459 262 3HZ LYS 31 3HZ LYS 31 1.504 -1.953 -15.095 263 H GLU 32 H GLU 32 0.773 -0.705 -8.599 264 HA GLU 32 HA GLU 32 2.706 -1.570 -10.480 265 1HB GLU 32 1HB GLU 32 3.150 0.303 -9.002 266 2HB GLU 32 2HB GLU 32 3.007 -0.751 -7.586 267 1HG GLU 32 1HG GLU 32 5.186 -1.111 -7.671 268 2HG GLU 32 2HG GLU 32 4.949 -1.930 -9.221 269 HE2 GLU 32 HE2 GLU 32 5.935 0.961 -10.993 270 H LYS 33 H LYS 33 1.547 -2.905 -7.417 271 HA LYS 33 HA LYS 33 2.063 -5.569 -8.153 272 1HB LYS 33 1HB LYS 33 4.406 -4.970 -7.884 273 2HB LYS 33 2HB LYS 33 4.077 -4.346 -6.260 274 1HG LYS 33 1HG LYS 33 4.187 -6.370 -5.322 275 2HG LYS 33 2HG LYS 33 3.234 -7.113 -6.618 276 1HD LYS 33 1HD LYS 33 5.080 -7.609 -7.899 277 2HD LYS 33 2HD LYS 33 6.036 -6.286 -7.209 278 1HE LYS 33 1HE LYS 33 5.605 -7.848 -5.006 279 2HE LYS 33 2HE LYS 33 5.712 -9.055 -6.295 280 1HZ LYS 33 1HZ LYS 33 7.853 -8.269 -6.906 281 2HZ LYS 33 2HZ LYS 33 7.867 -8.487 -5.229 282 3HZ LYS 33 3HZ LYS 33 7.740 -6.931 -5.877 283 H LEU 34 H LEU 34 0.130 -6.129 -7.296 284 HA LEU 34 HA LEU 34 -0.059 -6.548 -4.498 285 1HB LEU 34 1HB LEU 34 -0.716 -3.993 -5.185 286 2HB LEU 34 2HB LEU 34 -2.288 -4.806 -5.282 287 HG LEU 34 HG LEU 34 -2.030 -3.796 -3.110 288 1HD1 LEU 34 1HD1 LEU 34 -2.873 -5.536 -1.939 289 2HD1 LEU 34 2HD1 LEU 34 -1.567 -6.627 -2.402 290 3HD1 LEU 34 3HD1 LEU 34 -2.880 -6.294 -3.531 291 1HD2 LEU 34 1HD2 LEU 34 0.461 -5.477 -2.840 292 2HD2 LEU 34 2HD2 LEU 34 -0.253 -4.472 -1.578 293 3HD2 LEU 34 3HD2 LEU 34 0.410 -3.723 -3.032 294 H LEU 35 H LEU 35 -2.308 -5.861 -7.186 295 HA LEU 35 HA LEU 35 -4.234 -7.739 -6.576 296 1HB LEU 35 1HB LEU 35 -3.731 -5.969 -8.654 297 2HB LEU 35 2HB LEU 35 -3.771 -7.558 -9.436 298 HG LEU 35 HG LEU 35 -6.018 -7.565 -7.815 299 1HD1 LEU 35 1HD1 LEU 35 -7.050 -5.367 -8.888 300 2HD1 LEU 35 2HD1 LEU 35 -5.383 -4.818 -8.726 301 3HD1 LEU 35 3HD1 LEU 35 -6.271 -5.367 -7.305 302 1HD2 LEU 35 1HD2 LEU 35 -6.184 -6.667 -10.653 303 2HD2 LEU 35 2HD2 LEU 35 -7.152 -7.863 -9.790 304 3HD2 LEU 35 3HD2 LEU 35 -5.506 -8.254 -10.288 305 H PHE 36 H PHE 36 -4.586 -9.879 -7.053 306 HA PHE 36 HA PHE 36 -2.316 -11.555 -7.243 307 1HB PHE 36 1HB PHE 36 -5.208 -11.869 -6.926 308 2HB PHE 36 2HB PHE 36 -4.482 -13.158 -7.888 309 HD1 PHE 36 HD2 PHE 36 -4.615 -11.610 -4.584 310 HD2 PHE 36 HD1 PHE 36 -2.892 -14.709 -6.938 311 HE1 PHE 36 HE2 PHE 36 -3.837 -12.729 -2.535 312 HE2 PHE 36 HE1 PHE 36 -2.112 -15.834 -4.893 313 HZ PHE 36 HZ PHE 36 -2.583 -14.844 -2.688 Start of MODEL 3 1 1H MET 1 1H MET 1 -9.204 -11.883 3.988 2 2H MET 1 2H MET 1 -8.748 -10.382 4.517 3 3H MET 1 3H MET 1 -8.439 -10.838 2.956 4 HA MET 1 HA MET 1 -7.293 -12.021 5.352 5 1HB MET 1 1HB MET 1 -7.736 -13.479 3.263 6 2HB MET 1 2HB MET 1 -6.429 -12.544 2.521 7 1HG MET 1 1HG MET 1 -4.808 -13.513 3.778 8 2HG MET 1 2HG MET 1 -5.871 -13.717 5.172 9 1HE MET 1 1HE MET 1 -8.423 -15.716 3.579 10 2HE MET 1 2HE MET 1 -7.731 -16.849 4.738 11 3HE MET 1 3HE MET 1 -7.865 -15.138 5.148 12 H LEU 2 H LEU 2 -6.823 -9.728 5.872 13 HA LEU 2 HA LEU 2 -4.185 -9.049 4.966 14 1HB LEU 2 1HB LEU 2 -5.269 -7.977 3.174 15 2HB LEU 2 2HB LEU 2 -6.553 -7.359 4.229 16 HG LEU 2 HG LEU 2 -3.985 -6.320 5.037 17 1HD1 LEU 2 1HD1 LEU 2 -3.431 -6.681 2.662 18 2HD1 LEU 2 2HD1 LEU 2 -3.487 -4.974 3.098 19 3HD1 LEU 2 3HD1 LEU 2 -4.826 -5.700 2.209 20 1HD2 LEU 2 1HD2 LEU 2 -5.289 -4.165 4.446 21 2HD2 LEU 2 2HD2 LEU 2 -5.858 -5.172 5.777 22 3HD2 LEU 2 3HD2 LEU 2 -6.655 -5.254 4.205 23 H SER 3 H SER 3 -3.221 -8.683 6.845 24 HA SER 3 HA SER 3 -4.716 -7.351 8.989 25 1HB SER 3 1HB SER 3 -3.183 -9.624 9.058 26 2HB SER 3 2HB SER 3 -2.035 -8.395 9.615 27 HG SER 3 HG SER 3 -3.443 -7.846 11.261 28 H ASP 4 H ASP 4 -3.511 -5.805 10.354 29 HA ASP 4 HA ASP 4 -2.508 -3.670 8.864 30 1HB ASP 4 1HB ASP 4 -1.859 -4.115 11.779 31 2HB ASP 4 2HB ASP 4 -2.092 -2.582 10.928 32 HD2 ASP 4 HD2 ASP 4 -5.654 -3.645 10.796 33 H GLU 5 H GLU 5 -0.835 -6.253 10.587 34 HA GLU 5 HA GLU 5 1.777 -5.180 10.227 35 1HB GLU 5 1HB GLU 5 0.676 -7.856 11.026 36 2HB GLU 5 2HB GLU 5 2.403 -7.672 10.683 37 1HG GLU 5 1HG GLU 5 1.141 -5.741 12.561 38 2HG GLU 5 2HG GLU 5 1.424 -7.396 13.118 39 HE2 GLU 5 HE2 GLU 5 4.826 -6.899 13.351 40 H ASP 6 H ASP 6 -0.242 -7.412 8.406 41 HA ASP 6 HA ASP 6 1.784 -8.214 6.574 42 1HB ASP 6 1HB ASP 6 -0.295 -9.517 7.032 43 2HB ASP 6 2HB ASP 6 -1.214 -8.265 6.184 44 HD2 ASP 6 HD2 ASP 6 -0.709 -10.116 3.345 45 H PHE 7 H PHE 7 -0.337 -5.489 6.796 46 HA PHE 7 HA PHE 7 -0.442 -4.673 4.130 47 1HB PHE 7 1HB PHE 7 -1.780 -3.697 5.991 48 2HB PHE 7 2HB PHE 7 -0.322 -2.890 6.571 49 HD1 PHE 7 HD2 PHE 7 0.803 -1.182 5.122 50 HD2 PHE 7 HD1 PHE 7 -3.054 -2.752 4.244 51 HE1 PHE 7 HE2 PHE 7 0.368 0.730 3.634 52 HE2 PHE 7 HE1 PHE 7 -3.496 -0.844 2.754 53 HZ PHE 7 HZ PHE 7 -1.785 0.901 2.449 54 H LYS 8 H LYS 8 1.939 -3.920 6.649 55 HA LYS 8 HA LYS 8 3.540 -2.251 4.994 56 1HB LYS 8 1HB LYS 8 3.535 -2.171 7.480 57 2HB LYS 8 2HB LYS 8 4.345 -3.746 7.496 58 1HG LYS 8 1HG LYS 8 6.348 -2.898 6.756 59 2HG LYS 8 2HG LYS 8 5.580 -1.510 5.965 60 1HD LYS 8 1HD LYS 8 6.795 -0.760 7.926 61 2HD LYS 8 2HD LYS 8 5.051 -0.565 8.184 62 1HE LYS 8 1HE LYS 8 5.905 -3.185 9.054 63 2HE LYS 8 2HE LYS 8 6.877 -1.920 9.822 64 1HZ LYS 8 1HZ LYS 8 5.023 -0.976 10.810 65 2HZ LYS 8 2HZ LYS 8 4.703 -2.632 10.938 66 3HZ LYS 8 3HZ LYS 8 3.934 -1.712 9.744 67 H ALA 9 H ALA 9 3.242 -5.653 5.356 68 HA ALA 9 HA ALA 9 5.853 -6.376 4.458 69 1HB ALA 9 1HB ALA 9 3.305 -7.992 4.440 70 2HB ALA 9 2HB ALA 9 4.939 -8.623 4.231 71 3HB ALA 9 3HB ALA 9 4.462 -7.904 5.769 72 H VAL 10 H VAL 10 2.699 -6.030 2.876 73 HA VAL 10 HA VAL 10 3.724 -6.786 0.295 74 HB VAL 10 HB VAL 10 1.081 -5.684 1.219 75 1HG1 VAL 10 1HG1 VAL 10 1.968 -6.236 -1.608 76 2HG1 VAL 10 2HG1 VAL 10 0.290 -6.006 -1.115 77 3HG1 VAL 10 3HG1 VAL 10 1.451 -4.691 -0.937 78 1HG2 VAL 10 1HG2 VAL 10 1.626 -8.268 -0.207 79 2HG2 VAL 10 2HG2 VAL 10 1.800 -8.122 1.541 80 3HG2 VAL 10 3HG2 VAL 10 0.236 -7.824 0.783 81 H PHE 11 H PHE 11 2.935 -3.782 1.962 82 HA PHE 11 HA PHE 11 3.137 -2.023 -0.199 83 1HB PHE 11 1HB PHE 11 2.999 -1.846 2.683 84 2HB PHE 11 2HB PHE 11 4.153 -0.670 2.052 85 HD1 PHE 11 HD1 PHE 11 1.040 -1.886 0.442 86 HD2 PHE 11 HD2 PHE 11 3.055 1.367 2.306 87 HE1 PHE 11 HE1 PHE 11 -0.804 -0.386 -0.191 88 HE2 PHE 11 HE2 PHE 11 1.214 2.872 1.677 89 HZ PHE 11 HZ PHE 11 -0.719 1.996 0.427 90 H GLY 12 H GLY 12 5.618 -3.296 1.979 91 1HA GLY 12 1HA GLY 12 7.859 -3.677 1.374 92 2HA GLY 12 2HA GLY 12 7.644 -2.613 -0.007 93 H MET 13 H MET 13 6.409 -0.521 1.699 94 HA MET 13 HA MET 13 8.857 0.404 3.057 95 1HB MET 13 1HB MET 13 8.239 1.577 0.888 96 2HB MET 13 2HB MET 13 6.821 2.201 1.744 97 1HG MET 13 1HG MET 13 8.015 3.683 2.964 98 2HG MET 13 2HG MET 13 9.411 2.610 3.083 99 1HE MET 13 1HE MET 13 11.120 2.252 0.682 100 2HE MET 13 2HE MET 13 11.837 3.864 0.664 101 3HE MET 13 3HE MET 13 11.439 3.092 2.199 102 H THR 14 H THR 14 8.446 2.061 4.755 103 HA THR 14 HA THR 14 6.827 1.122 6.771 104 HB THR 14 HB THR 14 7.447 4.057 6.477 105 HG1 THR 14 HG1 THR 14 9.247 2.273 7.699 106 1HG2 THR 14 1HG2 THR 14 6.040 3.209 8.390 107 2HG2 THR 14 2HG2 THR 14 7.508 4.066 8.859 108 3HG2 THR 14 3HG2 THR 14 7.454 2.305 8.930 109 H ARG 15 H ARG 15 4.708 0.727 6.470 110 HA ARG 15 HA ARG 15 2.931 2.107 4.858 111 1HB ARG 15 1HB ARG 15 1.209 0.903 5.884 112 2HB ARG 15 2HB ARG 15 2.630 -0.132 6.085 113 1HG ARG 15 1HG ARG 15 1.894 -0.265 8.209 114 2HG ARG 15 2HG ARG 15 2.773 1.266 8.370 115 1HD ARG 15 1HD ARG 15 0.514 1.401 9.339 116 2HD ARG 15 2HD ARG 15 0.733 2.519 7.985 117 HE ARG 15 HE ARG 15 -0.832 1.340 6.781 118 1HH1 ARG 15 1HH1 ARG 15 0.081 -0.468 9.613 119 2HH1 ARG 15 2HH1 ARG 15 -1.181 -1.642 9.430 120 1HH2 ARG 15 1HH2 ARG 15 -2.498 -0.199 6.530 121 2HH2 ARG 15 2HH2 ARG 15 -2.646 -1.488 7.675 122 H SER 16 H SER 16 4.118 2.898 8.021 123 HA SER 16 HA SER 16 2.086 4.727 8.767 124 1HB SER 16 1HB SER 16 4.272 3.624 10.022 125 2HB SER 16 2HB SER 16 4.778 5.307 9.793 126 HG SER 16 HG SER 16 2.440 4.382 11.105 127 H ALA 17 H ALA 17 5.239 5.141 7.194 128 HA ALA 17 HA ALA 17 5.016 7.975 6.965 129 1HB ALA 17 1HB ALA 17 7.177 6.792 6.981 130 2HB ALA 17 2HB ALA 17 6.786 6.094 5.409 131 3HB ALA 17 3HB ALA 17 6.989 7.838 5.573 132 H PHE 18 H PHE 18 4.166 5.253 4.920 133 HA PHE 18 HA PHE 18 3.629 6.839 2.596 134 1HB PHE 18 1HB PHE 18 3.542 4.008 3.343 135 2HB PHE 18 2HB PHE 18 2.225 4.479 2.267 136 HD1 PHE 18 HD2 PHE 18 5.671 5.842 2.328 137 HD2 PHE 18 HD1 PHE 18 2.813 3.472 0.247 138 HE1 PHE 18 HE2 PHE 18 7.184 5.725 0.391 139 HE2 PHE 18 HE1 PHE 18 4.320 3.350 -1.693 140 HZ PHE 18 HZ PHE 18 6.508 4.478 -1.623 141 H ALA 19 H ALA 19 1.743 5.571 5.274 142 HA ALA 19 HA ALA 19 -0.829 6.004 4.288 143 1HB ALA 19 1HB ALA 19 -0.403 4.744 6.322 144 2HB ALA 19 2HB ALA 19 0.144 6.211 7.135 145 3HB ALA 19 3HB ALA 19 -1.541 6.056 6.633 146 H ASN 20 H ASN 20 1.577 8.253 5.249 147 HA ASN 20 HA ASN 20 -0.002 10.419 6.070 148 1HB ASN 20 1HB ASN 20 2.747 10.152 4.892 149 2HB ASN 20 2HB ASN 20 2.037 11.758 5.101 150 1HD2 ASN 20 1HD2 ASN 20 1.776 8.870 7.125 151 2HD2 ASN 20 2HD2 ASN 20 2.443 9.592 8.545 152 H LEU 21 H LEU 21 0.407 8.993 2.995 153 HA LEU 21 HA LEU 21 -0.578 11.382 1.611 154 1HB LEU 21 1HB LEU 21 1.046 9.065 0.871 155 2HB LEU 21 2HB LEU 21 -0.231 9.435 -0.301 156 HG LEU 21 HG LEU 21 0.672 11.554 -0.783 157 1HD1 LEU 21 1HD1 LEU 21 2.535 12.539 0.475 158 2HD1 LEU 21 2HD1 LEU 21 2.470 11.191 1.610 159 3HD1 LEU 21 3HD1 LEU 21 1.106 12.302 1.482 160 1HD2 LEU 21 1HD2 LEU 21 2.280 9.218 -0.955 161 2HD2 LEU 21 2HD2 LEU 21 3.335 10.596 -0.636 162 3HD2 LEU 21 3HD2 LEU 21 2.249 10.618 -2.027 163 HA PRO 22 HA PRO 22 -4.660 9.866 1.075 164 1HB PRO 22 1HB PRO 22 -5.246 10.630 -1.489 165 2HB PRO 22 2HB PRO 22 -5.105 11.762 -0.144 166 1HG PRO 22 1HG PRO 22 -3.074 11.012 -2.220 167 2HG PRO 22 2HG PRO 22 -3.525 12.646 -1.604 168 1HD PRO 22 1HD PRO 22 -1.295 11.334 -0.782 169 2HD PRO 22 2HD PRO 22 -2.226 12.399 0.284 170 H LEU 23 H LEU 23 -5.999 8.310 -0.011 171 HA LEU 23 HA LEU 23 -4.642 5.958 -0.758 172 1HB LEU 23 1HB LEU 23 -7.405 6.843 -0.423 173 2HB LEU 23 2HB LEU 23 -7.208 5.653 -1.721 174 HG LEU 23 HG LEU 23 -5.939 5.006 0.876 175 1HD1 LEU 23 1HD1 LEU 23 -8.117 4.104 1.706 176 2HD1 LEU 23 2HD1 LEU 23 -8.919 5.048 0.451 177 3HD1 LEU 23 3HD1 LEU 23 -7.997 5.864 1.714 178 1HD2 LEU 23 1HD2 LEU 23 -7.160 3.618 -1.444 179 2HD2 LEU 23 2HD2 LEU 23 -7.236 2.812 0.124 180 3HD2 LEU 23 3HD2 LEU 23 -5.674 3.264 -0.563 181 H TRP 24 H TRP 24 -5.590 8.708 -2.557 182 HA TRP 24 HA TRP 24 -6.054 7.680 -5.092 183 1HB TRP 24 1HB TRP 24 -5.138 10.264 -3.979 184 2HB TRP 24 2HB TRP 24 -4.713 9.978 -5.668 185 HD1 TRP 24 HD1 TRP 24 -7.720 10.648 -3.437 186 HE1 TRP 24 HE1 TRP 24 -9.770 11.125 -4.918 187 HE3 TRP 24 HE3 TRP 24 -5.739 9.417 -7.986 188 HZ2 TRP 24 HZ2 TRP 24 -10.457 10.996 -7.653 189 HZ3 TRP 24 HZ3 TRP 24 -7.159 9.621 -9.985 190 HH2 TRP 24 HH2 TRP 24 -9.469 10.394 -9.820 191 H LYS 25 H LYS 25 -2.985 8.417 -3.494 192 HA LYS 25 HA LYS 25 -1.375 7.767 -5.760 193 1HB LYS 25 1HB LYS 25 -0.817 9.229 -3.675 194 2HB LYS 25 2HB LYS 25 -0.366 7.684 -2.935 195 1HG LYS 25 1HG LYS 25 0.761 8.414 -5.607 196 2HG LYS 25 2HG LYS 25 1.428 9.145 -4.136 197 1HD LYS 25 1HD LYS 25 1.072 6.290 -3.802 198 2HD LYS 25 2HD LYS 25 2.072 6.654 -5.219 199 1HE LYS 25 1HE LYS 25 3.572 8.012 -3.872 200 2HE LYS 25 2HE LYS 25 2.538 7.773 -2.457 201 1HZ LYS 25 1HZ LYS 25 4.594 6.317 -2.676 202 2HZ LYS 25 2HZ LYS 25 3.745 5.479 -3.875 203 3HZ LYS 25 3HZ LYS 25 3.138 5.543 -2.297 204 H GLN 26 H GLN 26 -2.834 5.958 -3.202 205 HA GLN 26 HA GLN 26 -1.133 3.693 -3.269 206 1HB GLN 26 1HB GLN 26 -2.997 4.451 -1.556 207 2HB GLN 26 2HB GLN 26 -4.025 3.431 -2.574 208 1HG GLN 26 1HG GLN 26 -2.753 1.493 -2.111 209 2HG GLN 26 2HG GLN 26 -1.455 2.444 -1.378 210 1HE2 GLN 26 1HE2 GLN 26 -2.434 3.964 0.436 211 2HE2 GLN 26 2HE2 GLN 26 -3.385 3.122 1.607 212 H GLN 27 H GLN 27 -3.730 4.779 -5.278 213 HA GLN 27 HA GLN 27 -4.559 2.355 -6.403 214 1HB GLN 27 1HB GLN 27 -4.698 5.218 -7.147 215 2HB GLN 27 2HB GLN 27 -4.887 4.060 -8.473 216 1HG GLN 27 1HG GLN 27 -6.621 2.919 -6.924 217 2HG GLN 27 2HG GLN 27 -6.616 4.470 -6.073 218 1HE2 GLN 27 1HE2 GLN 27 -8.085 2.738 -8.450 219 2HE2 GLN 27 2HE2 GLN 27 -8.804 4.028 -9.346 220 H ASN 28 H ASN 28 -1.766 4.357 -7.025 221 HA ASN 28 HA ASN 28 -1.044 2.990 -9.456 222 1HB ASN 28 1HB ASN 28 -0.456 5.358 -9.095 223 2HB ASN 28 2HB ASN 28 0.569 4.886 -7.734 224 1HD2 ASN 28 1HD2 ASN 28 2.199 6.034 -9.018 225 2HD2 ASN 28 2HD2 ASN 28 3.064 5.153 -10.226 226 H LEU 29 H LEU 29 0.072 3.007 -6.093 227 HA LEU 29 HA LEU 29 2.255 1.316 -6.323 228 1HB LEU 29 1HB LEU 29 0.856 2.524 -4.260 229 2HB LEU 29 2HB LEU 29 0.680 0.790 -3.935 230 HG LEU 29 HG LEU 29 3.189 2.436 -4.016 231 1HD1 LEU 29 1HD1 LEU 29 2.107 0.488 -1.987 232 2HD1 LEU 29 2HD1 LEU 29 1.921 2.240 -1.906 233 3HD1 LEU 29 3HD1 LEU 29 3.528 1.519 -1.814 234 1HD2 LEU 29 1HD2 LEU 29 4.066 0.683 -5.166 235 2HD2 LEU 29 2HD2 LEU 29 2.838 -0.449 -4.599 236 3HD2 LEU 29 3HD2 LEU 29 4.171 0.010 -3.538 237 H LYS 30 H LYS 30 -1.172 0.537 -6.084 238 HA LYS 30 HA LYS 30 -0.980 -2.214 -5.661 239 1HB LYS 30 1HB LYS 30 -3.097 -1.123 -5.431 240 2HB LYS 30 2HB LYS 30 -3.057 -0.576 -7.115 241 1HG LYS 30 1HG LYS 30 -2.947 -3.505 -6.612 242 2HG LYS 30 2HG LYS 30 -4.486 -2.665 -6.351 243 1HD LYS 30 1HD LYS 30 -3.907 -1.609 -8.717 244 2HD LYS 30 2HD LYS 30 -2.962 -3.100 -8.870 245 1HE LYS 30 1HE LYS 30 -4.828 -4.467 -8.785 246 2HE LYS 30 2HE LYS 30 -5.787 -3.259 -7.920 247 1HZ LYS 30 1HZ LYS 30 -6.631 -3.318 -10.092 248 2HZ LYS 30 2HZ LYS 30 -5.094 -3.305 -10.798 249 3HZ LYS 30 3HZ LYS 30 -5.686 -1.915 -10.036 250 H LYS 31 H LYS 31 -1.089 -0.384 -8.701 251 HA LYS 31 HA LYS 31 -0.825 -2.742 -10.320 252 1HB LYS 31 1HB LYS 31 -2.008 -0.656 -11.048 253 2HB LYS 31 2HB LYS 31 -0.429 0.141 -11.134 254 1HG LYS 31 1HG LYS 31 0.185 -0.935 -13.037 255 2HG LYS 31 2HG LYS 31 -0.733 -2.394 -12.628 256 1HD LYS 31 1HD LYS 31 -2.455 -1.733 -13.877 257 2HD LYS 31 2HD LYS 31 -2.540 -0.199 -12.995 258 1HE LYS 31 1HE LYS 31 -0.785 0.739 -14.447 259 2HE LYS 31 2HE LYS 31 -0.722 -0.793 -15.329 260 1HZ LYS 31 1HZ LYS 31 -3.043 -0.472 -15.964 261 2HZ LYS 31 2HZ LYS 31 -2.076 0.808 -16.500 262 3HZ LYS 31 3HZ LYS 31 -3.076 1.011 -15.150 263 H GLU 32 H GLU 32 1.322 -0.473 -8.822 264 HA GLU 32 HA GLU 32 3.594 -0.801 -10.430 265 1HB GLU 32 1HB GLU 32 3.453 0.973 -8.786 266 2HB GLU 32 2HB GLU 32 3.377 -0.213 -7.474 267 1HG GLU 32 1HG GLU 32 5.588 0.779 -7.616 268 2HG GLU 32 2HG GLU 32 5.639 -0.950 -7.988 269 HE2 GLU 32 HE2 GLU 32 6.906 1.562 -10.682 270 H LYS 33 H LYS 33 2.310 -2.723 -7.784 271 HA LYS 33 HA LYS 33 4.198 -4.851 -8.485 272 1HB LYS 33 1HB LYS 33 3.720 -3.724 -5.726 273 2HB LYS 33 2HB LYS 33 4.378 -5.348 -5.984 274 1HG LYS 33 1HG LYS 33 6.357 -4.540 -6.932 275 2HG LYS 33 2HG LYS 33 5.657 -2.936 -7.219 276 1HD LYS 33 1HD LYS 33 6.066 -2.222 -5.113 277 2HD LYS 33 2HD LYS 33 5.690 -3.802 -4.405 278 1HE LYS 33 1HE LYS 33 7.966 -4.446 -5.681 279 2HE LYS 33 2HE LYS 33 8.268 -2.727 -5.386 280 1HZ LYS 33 1HZ LYS 33 8.668 -3.129 -3.256 281 2HZ LYS 33 2HZ LYS 33 8.623 -4.784 -3.602 282 3HZ LYS 33 3HZ LYS 33 7.227 -3.993 -3.062 283 H LEU 34 H LEU 34 1.767 -4.420 -5.921 284 HA LEU 34 HA LEU 34 -0.292 -5.870 -7.134 285 1HB LEU 34 1HB LEU 34 -0.114 -7.970 -5.743 286 2HB LEU 34 2HB LEU 34 1.031 -7.814 -7.087 287 HG LEU 34 HG LEU 34 2.390 -6.773 -4.891 288 1HD1 LEU 34 1HD1 LEU 34 0.533 -7.842 -3.536 289 2HD1 LEU 34 2HD1 LEU 34 2.182 -8.310 -3.123 290 3HD1 LEU 34 3HD1 LEU 34 1.170 -9.396 -4.076 291 1HD2 LEU 34 1HD2 LEU 34 2.516 -9.533 -6.106 292 2HD2 LEU 34 2HD2 LEU 34 3.781 -8.765 -5.145 293 3HD2 LEU 34 3HD2 LEU 34 3.335 -8.094 -6.715 294 H LEU 35 H LEU 35 -1.943 -6.631 -5.482 295 HA LEU 35 HA LEU 35 -1.758 -5.625 -2.814 296 1HB LEU 35 1HB LEU 35 -2.282 -3.661 -4.557 297 2HB LEU 35 2HB LEU 35 -3.928 -4.271 -4.309 298 HG LEU 35 HG LEU 35 -3.565 -2.417 -2.837 299 1HD1 LEU 35 1HD1 LEU 35 -4.362 -3.352 -0.901 300 2HD1 LEU 35 2HD1 LEU 35 -3.255 -4.722 -0.974 301 3HD1 LEU 35 3HD1 LEU 35 -4.655 -4.663 -2.045 302 1HD2 LEU 35 1HD2 LEU 35 -1.263 -2.191 -2.612 303 2HD2 LEU 35 2HD2 LEU 35 -1.043 -3.875 -2.135 304 3HD2 LEU 35 3HD2 LEU 35 -1.771 -2.728 -1.011 305 H PHE 36 H PHE 36 -2.760 -7.184 -1.742 306 HA PHE 36 HA PHE 36 -4.640 -8.949 -2.892 307 1HB PHE 36 1HB PHE 36 -3.327 -8.587 -0.313 308 2HB PHE 36 2HB PHE 36 -4.997 -9.131 -0.138 309 HD1 PHE 36 HD2 PHE 36 -1.794 -9.957 -1.805 310 HD2 PHE 36 HD1 PHE 36 -5.600 -11.356 -0.512 311 HE1 PHE 36 HE2 PHE 36 -1.115 -12.266 -2.318 312 HE2 PHE 36 HE1 PHE 36 -4.927 -13.668 -1.021 313 HZ PHE 36 HZ PHE 36 -2.683 -14.124 -1.926 Start of MODEL 4 1 1H MET 1 1H MET 1 -9.065 -10.489 3.010 2 2H MET 1 2H MET 1 -8.089 -9.166 3.200 3 3H MET 1 3H MET 1 -7.649 -10.376 2.160 4 HA MET 1 HA MET 1 -7.898 -10.595 5.049 5 1HB MET 1 1HB MET 1 -6.760 -12.626 3.126 6 2HB MET 1 2HB MET 1 -7.145 -12.844 4.840 7 1HG MET 1 1HG MET 1 -9.524 -12.656 4.369 8 2HG MET 1 2HG MET 1 -9.167 -12.367 2.664 9 1HE MET 1 1HE MET 1 -8.706 -13.694 1.072 10 2HE MET 1 2HE MET 1 -7.603 -15.056 1.258 11 3HE MET 1 3HE MET 1 -9.327 -15.344 1.017 12 H LEU 2 H LEU 2 -6.421 -9.048 5.618 13 HA LEU 2 HA LEU 2 -3.655 -9.711 5.243 14 1HB LEU 2 1HB LEU 2 -4.260 -8.431 3.168 15 2HB LEU 2 2HB LEU 2 -4.599 -7.042 4.214 16 HG LEU 2 HG LEU 2 -2.066 -7.619 4.973 17 1HD1 LEU 2 1HD1 LEU 2 -2.038 -8.078 2.006 18 2HD1 LEU 2 2HD1 LEU 2 -2.059 -9.408 3.163 19 3HD1 LEU 2 3HD1 LEU 2 -0.720 -8.261 3.163 20 1HD2 LEU 2 1HD2 LEU 2 -2.588 -5.416 4.480 21 2HD2 LEU 2 2HD2 LEU 2 -3.190 -5.810 2.870 22 3HD2 LEU 2 3HD2 LEU 2 -1.457 -5.840 3.195 23 H SER 3 H SER 3 -3.035 -9.596 7.297 24 HA SER 3 HA SER 3 -4.230 -8.007 9.277 25 1HB SER 3 1HB SER 3 -2.231 -10.000 9.159 26 2HB SER 3 2HB SER 3 -1.487 -8.594 9.942 27 HG SER 3 HG SER 3 -3.852 -9.949 10.720 28 H ASP 4 H ASP 4 -3.149 -6.306 10.559 29 HA ASP 4 HA ASP 4 -2.468 -4.100 8.969 30 1HB ASP 4 1HB ASP 4 -1.693 -3.107 11.211 31 2HB ASP 4 2HB ASP 4 -3.387 -3.599 11.073 32 HD2 ASP 4 HD2 ASP 4 -2.970 -6.205 13.345 33 H GLU 5 H GLU 5 -0.470 -6.403 10.744 34 HA GLU 5 HA GLU 5 1.987 -5.035 10.305 35 1HB GLU 5 1HB GLU 5 1.203 -7.764 11.254 36 2HB GLU 5 2HB GLU 5 2.887 -7.457 10.803 37 1HG GLU 5 1HG GLU 5 1.361 -5.819 12.823 38 2HG GLU 5 2HG GLU 5 2.396 -7.195 13.228 39 HE2 GLU 5 HE2 GLU 5 4.304 -4.053 13.354 40 H ASP 6 H ASP 6 0.227 -7.550 8.590 41 HA ASP 6 HA ASP 6 2.274 -8.263 6.782 42 1HB ASP 6 1HB ASP 6 0.157 -9.561 7.252 43 2HB ASP 6 2HB ASP 6 -0.698 -8.381 6.249 44 HD2 ASP 6 HD2 ASP 6 1.911 -9.955 3.866 45 H PHE 7 H PHE 7 0.135 -5.561 6.939 46 HA PHE 7 HA PHE 7 0.085 -4.804 4.236 47 1HB PHE 7 1HB PHE 7 -1.374 -3.871 6.045 48 2HB PHE 7 2HB PHE 7 0.021 -2.966 6.635 49 HD1 PHE 7 HD2 PHE 7 1.002 -1.149 5.299 50 HD2 PHE 7 HD1 PHE 7 -2.559 -3.147 4.099 51 HE1 PHE 7 HE2 PHE 7 0.502 0.687 3.740 52 HE2 PHE 7 HE1 PHE 7 -3.065 -1.313 2.536 53 HZ PHE 7 HZ PHE 7 -1.534 0.607 2.356 54 H LYS 8 H LYS 8 2.300 -3.913 6.861 55 HA LYS 8 HA LYS 8 3.908 -2.191 5.277 56 1HB LYS 8 1HB LYS 8 4.818 -3.668 7.749 57 2HB LYS 8 2HB LYS 8 5.388 -2.107 7.136 58 1HG LYS 8 1HG LYS 8 3.976 -1.114 8.524 59 2HG LYS 8 2HG LYS 8 2.651 -1.768 7.545 60 1HD LYS 8 1HD LYS 8 2.336 -3.608 8.952 61 2HD LYS 8 2HD LYS 8 3.940 -3.425 9.687 62 1HE LYS 8 1HE LYS 8 2.447 -1.016 10.112 63 2HE LYS 8 2HE LYS 8 1.467 -2.404 10.605 64 1HZ LYS 8 1HZ LYS 8 3.980 -2.913 11.592 65 2HZ LYS 8 2HZ LYS 8 2.631 -2.406 12.477 66 3HZ LYS 8 3HZ LYS 8 3.734 -1.266 11.888 67 H ALA 9 H ALA 9 3.710 -5.595 5.576 68 HA ALA 9 HA ALA 9 6.389 -6.228 4.832 69 1HB ALA 9 1HB ALA 9 4.977 -7.823 6.025 70 2HB ALA 9 2HB ALA 9 3.893 -7.908 4.636 71 3HB ALA 9 3HB ALA 9 5.550 -8.495 4.498 72 H VAL 10 H VAL 10 3.328 -5.983 3.056 73 HA VAL 10 HA VAL 10 4.556 -6.628 0.534 74 HB VAL 10 HB VAL 10 1.802 -5.680 1.298 75 1HG1 VAL 10 1HG1 VAL 10 2.898 -6.154 -1.471 76 2HG1 VAL 10 2HG1 VAL 10 1.183 -6.003 -1.083 77 3HG1 VAL 10 3HG1 VAL 10 2.271 -4.640 -0.820 78 1HG2 VAL 10 1HG2 VAL 10 1.100 -7.852 0.790 79 2HG2 VAL 10 2HG2 VAL 10 2.566 -8.214 -0.119 80 3HG2 VAL 10 3HG2 VAL 10 2.629 -8.083 1.639 81 H PHE 11 H PHE 11 3.496 -3.708 2.201 82 HA PHE 11 HA PHE 11 3.758 -1.898 0.083 83 1HB PHE 11 1HB PHE 11 3.384 -1.784 2.949 84 2HB PHE 11 2HB PHE 11 4.507 -0.528 2.425 85 HD1 PHE 11 HD2 PHE 11 1.612 -1.904 0.560 86 HD2 PHE 11 HD1 PHE 11 3.267 1.431 2.621 87 HE1 PHE 11 HE2 PHE 11 -0.269 -0.509 -0.195 88 HE2 PHE 11 HE1 PHE 11 1.388 2.832 1.870 89 HZ PHE 11 HZ PHE 11 -0.382 1.863 0.459 90 H GLY 12 H GLY 12 6.122 -3.012 2.478 91 1HA GLY 12 1HA GLY 12 8.426 -3.258 2.072 92 2HA GLY 12 2HA GLY 12 8.264 -2.232 0.656 93 H MET 13 H MET 13 6.747 -0.211 2.238 94 HA MET 13 HA MET 13 9.019 0.902 3.751 95 1HB MET 13 1HB MET 13 8.485 2.011 1.535 96 2HB MET 13 2HB MET 13 6.956 2.525 2.264 97 1HG MET 13 1HG MET 13 7.919 4.127 3.525 98 2HG MET 13 2HG MET 13 9.362 3.156 3.826 99 1HE MET 13 1HE MET 13 9.963 6.786 1.996 100 2HE MET 13 2HE MET 13 8.919 6.205 3.294 101 3HE MET 13 3HE MET 13 10.658 5.913 3.362 102 H THR 14 H THR 14 8.382 2.521 5.405 103 HA THR 14 HA THR 14 6.679 1.483 7.303 104 HB THR 14 HB THR 14 6.546 4.113 7.947 105 HG1 THR 14 HG1 THR 14 7.730 4.492 5.872 106 1HG2 THR 14 1HG2 THR 14 7.744 1.987 8.986 107 2HG2 THR 14 2HG2 THR 14 8.138 3.623 9.517 108 3HG2 THR 14 3HG2 THR 14 9.180 2.796 8.360 109 H ARG 15 H ARG 15 4.611 0.972 6.870 110 HA ARG 15 HA ARG 15 2.877 2.231 5.118 111 1HB ARG 15 1HB ARG 15 1.155 0.947 6.045 112 2HB ARG 15 2HB ARG 15 2.614 -0.006 6.353 113 1HG ARG 15 1HG ARG 15 1.747 -0.158 8.426 114 2HG ARG 15 2HG ARG 15 2.528 1.419 8.623 115 1HD ARG 15 1HD ARG 15 0.208 1.448 9.440 116 2HD ARG 15 2HD ARG 15 0.450 2.552 8.078 117 HE ARG 15 HE ARG 15 -0.969 1.263 6.806 118 1HH1 ARG 15 1HH1 ARG 15 -0.134 -0.440 9.726 119 2HH1 ARG 15 2HH1 ARG 15 -1.313 -1.687 9.490 120 1HH2 ARG 15 1HH2 ARG 15 -2.525 -0.374 6.486 121 2HH2 ARG 15 2HH2 ARG 15 -2.672 -1.649 7.647 122 H SER 16 H SER 16 3.789 3.121 8.347 123 HA SER 16 HA SER 16 1.613 4.845 8.917 124 1HB SER 16 1HB SER 16 2.960 4.067 10.744 125 2HB SER 16 2HB SER 16 4.432 4.722 10.004 126 HG SER 16 HG SER 16 2.251 6.175 11.085 127 H ALA 17 H ALA 17 4.844 5.412 7.566 128 HA ALA 17 HA ALA 17 4.492 8.226 7.284 129 1HB ALA 17 1HB ALA 17 6.705 7.159 7.463 130 2HB ALA 17 2HB ALA 17 6.459 6.424 5.878 131 3HB ALA 17 3HB ALA 17 6.562 8.178 6.031 132 H PHE 18 H PHE 18 3.923 5.445 5.223 133 HA PHE 18 HA PHE 18 3.468 6.979 2.847 134 1HB PHE 18 1HB PHE 18 3.478 4.155 3.621 135 2HB PHE 18 2HB PHE 18 2.213 4.543 2.454 136 HD1 PHE 18 HD1 PHE 18 5.575 6.082 2.730 137 HD2 PHE 18 HD2 PHE 18 2.982 3.562 0.485 138 HE1 PHE 18 HE1 PHE 18 7.217 6.029 0.900 139 HE2 PHE 18 HE2 PHE 18 4.621 3.504 -1.349 140 HZ PHE 18 HZ PHE 18 6.742 4.738 -1.143 141 H ALA 19 H ALA 19 1.468 5.631 5.401 142 HA ALA 19 HA ALA 19 -1.048 5.926 4.235 143 1HB ALA 19 1HB ALA 19 -0.699 4.697 6.303 144 2HB ALA 19 2HB ALA 19 -0.291 6.195 7.141 145 3HB ALA 19 3HB ALA 19 -1.923 5.948 6.523 146 H ASN 20 H ASN 20 1.166 8.300 5.344 147 HA ASN 20 HA ASN 20 -0.574 10.384 6.038 148 1HB ASN 20 1HB ASN 20 2.260 10.249 5.059 149 2HB ASN 20 2HB ASN 20 1.458 11.819 5.190 150 1HD2 ASN 20 1HD2 ASN 20 1.191 8.950 7.238 151 2HD2 ASN 20 2HD2 ASN 20 1.719 9.724 8.690 152 H LEU 21 H LEU 21 0.119 8.970 3.008 153 HA LEU 21 HA LEU 21 -0.888 11.298 1.540 154 1HB LEU 21 1HB LEU 21 0.887 9.056 0.932 155 2HB LEU 21 2HB LEU 21 -0.327 9.355 -0.324 156 HG LEU 21 HG LEU 21 0.505 11.511 -0.768 157 1HD1 LEU 21 1HD1 LEU 21 0.761 12.288 1.516 158 2HD1 LEU 21 2HD1 LEU 21 2.233 12.594 0.594 159 3HD1 LEU 21 3HD1 LEU 21 2.169 11.249 1.733 160 1HD2 LEU 21 1HD2 LEU 21 2.150 9.256 -0.933 161 2HD2 LEU 21 2HD2 LEU 21 3.190 10.563 -0.366 162 3HD2 LEU 21 3HD2 LEU 21 2.278 10.749 -1.865 163 HA PRO 22 HA PRO 22 -4.854 9.594 0.760 164 1HB PRO 22 1HB PRO 22 -5.309 10.325 -1.840 165 2HB PRO 22 2HB PRO 22 -5.307 11.464 -0.495 166 1HG PRO 22 1HG PRO 22 -3.115 10.807 -2.435 167 2HG PRO 22 2HG PRO 22 -3.680 12.418 -1.856 168 1HD PRO 22 1HD PRO 22 -1.448 11.213 -0.888 169 2HD PRO 22 2HD PRO 22 -2.494 12.236 0.113 170 H LEU 23 H LEU 23 -6.043 7.969 -0.386 171 HA LEU 23 HA LEU 23 -4.523 5.691 -1.054 172 1HB LEU 23 1HB LEU 23 -7.424 6.238 -1.702 173 2HB LEU 23 2HB LEU 23 -6.632 4.654 -1.624 174 HG LEU 23 HG LEU 23 -6.308 5.993 0.886 175 1HD1 LEU 23 1HD1 LEU 23 -8.206 7.270 0.711 176 2HD1 LEU 23 2HD1 LEU 23 -8.866 5.780 1.387 177 3HD1 LEU 23 3HD1 LEU 23 -9.022 6.110 -0.338 178 1HD2 LEU 23 1HD2 LEU 23 -7.503 3.981 1.691 179 2HD2 LEU 23 2HD2 LEU 23 -6.164 3.604 0.606 180 3HD2 LEU 23 3HD2 LEU 23 -7.825 3.537 0.014 181 H TRP 24 H TRP 24 -5.665 8.347 -2.926 182 HA TRP 24 HA TRP 24 -5.866 7.249 -5.466 183 1HB TRP 24 1HB TRP 24 -5.889 9.817 -4.359 184 2HB TRP 24 2HB TRP 24 -4.560 9.844 -5.519 185 HD1 TRP 24 HD1 TRP 24 -8.344 9.703 -5.349 186 HE1 TRP 24 HE1 TRP 24 -9.304 9.927 -7.727 187 HE3 TRP 24 HE3 TRP 24 -4.005 9.281 -8.021 188 HZ2 TRP 24 HZ2 TRP 24 -8.348 9.924 -10.384 189 HZ3 TRP 24 HZ3 TRP 24 -4.115 9.401 -10.476 190 HH2 TRP 24 HH2 TRP 24 -6.243 9.717 -11.631 191 H LYS 25 H LYS 25 -2.989 8.595 -3.864 192 HA LYS 25 HA LYS 25 -1.217 8.018 -6.001 193 1HB LYS 25 1HB LYS 25 -1.064 9.490 -3.702 194 2HB LYS 25 2HB LYS 25 -0.056 8.092 -3.298 195 1HG LYS 25 1HG LYS 25 0.310 9.743 -5.795 196 2HG LYS 25 2HG LYS 25 1.173 10.034 -4.275 197 1HD LYS 25 1HD LYS 25 1.631 7.382 -4.584 198 2HD LYS 25 2HD LYS 25 1.532 7.899 -6.276 199 1HE LYS 25 1HE LYS 25 3.185 9.524 -4.391 200 2HE LYS 25 2HE LYS 25 3.812 7.965 -4.947 201 1HZ LYS 25 1HZ LYS 25 4.469 9.903 -6.333 202 2HZ LYS 25 2HZ LYS 25 2.850 10.083 -6.786 203 3HZ LYS 25 3HZ LYS 25 3.690 8.673 -7.195 204 H GLN 26 H GLN 26 -2.491 6.143 -3.387 205 HA GLN 26 HA GLN 26 -0.501 4.157 -3.223 206 1HB GLN 26 1HB GLN 26 -3.141 4.617 -2.168 207 2HB GLN 26 2HB GLN 26 -2.985 2.935 -2.698 208 1HG GLN 26 1HG GLN 26 -1.603 2.391 -1.028 209 2HG GLN 26 2HG GLN 26 -0.698 3.905 -1.164 210 1HE2 GLN 26 1HE2 GLN 26 -3.663 2.488 0.094 211 2HE2 GLN 26 2HE2 GLN 26 -3.874 3.618 1.383 212 H GLN 27 H GLN 27 -3.002 4.753 -5.533 213 HA GLN 27 HA GLN 27 -3.337 2.191 -6.606 214 1HB GLN 27 1HB GLN 27 -3.562 4.936 -7.846 215 2HB GLN 27 2HB GLN 27 -3.976 3.451 -8.718 216 1HG GLN 27 1HG GLN 27 -5.799 2.986 -7.341 217 2HG GLN 27 2HG GLN 27 -5.229 4.084 -6.075 218 1HE2 GLN 27 1HE2 GLN 27 -7.383 4.961 -6.145 219 2HE2 GLN 27 2HE2 GLN 27 -7.791 6.138 -7.342 220 H ASN 28 H ASN 28 -0.822 4.572 -7.048 221 HA ASN 28 HA ASN 28 0.342 3.549 -9.393 222 1HB ASN 28 1HB ASN 28 0.798 5.776 -8.162 223 2HB ASN 28 2HB ASN 28 1.935 4.836 -7.188 224 1HD2 ASN 28 1HD2 ASN 28 3.899 4.391 -7.971 225 2HD2 ASN 28 2HD2 ASN 28 4.442 4.796 -9.560 226 H LEU 29 H LEU 29 0.906 2.811 -5.978 227 HA LEU 29 HA LEU 29 2.958 0.877 -6.585 228 1HB LEU 29 1HB LEU 29 1.764 2.081 -4.177 229 2HB LEU 29 2HB LEU 29 2.282 0.395 -3.998 230 HG LEU 29 HG LEU 29 3.960 2.120 -3.289 231 1HD1 LEU 29 1HD1 LEU 29 5.815 0.904 -4.122 232 2HD1 LEU 29 2HD1 LEU 29 4.922 0.387 -5.552 233 3HD1 LEU 29 3HD1 LEU 29 4.486 -0.244 -3.964 234 1HD2 LEU 29 1HD2 LEU 29 5.261 3.194 -5.101 235 2HD2 LEU 29 2HD2 LEU 29 3.601 3.783 -4.995 236 3HD2 LEU 29 3HD2 LEU 29 4.052 2.637 -6.259 237 H LYS 30 H LYS 30 -0.414 0.815 -5.507 238 HA LYS 30 HA LYS 30 -0.668 -1.945 -5.142 239 1HB LYS 30 1HB LYS 30 -2.320 -0.194 -4.440 240 2HB LYS 30 2HB LYS 30 -2.820 -0.070 -6.135 241 1HG LYS 30 1HG LYS 30 -3.913 -2.069 -6.123 242 2HG LYS 30 2HG LYS 30 -2.846 -2.761 -4.887 243 1HD LYS 30 1HD LYS 30 -4.633 -0.483 -4.135 244 2HD LYS 30 2HD LYS 30 -5.329 -2.103 -4.315 245 1HE LYS 30 1HE LYS 30 -4.626 -2.614 -2.264 246 2HE LYS 30 2HE LYS 30 -2.959 -2.414 -2.825 247 1HZ LYS 30 1HZ LYS 30 -4.358 -0.831 -1.001 248 2HZ LYS 30 2HZ LYS 30 -4.055 0.126 -2.362 249 3HZ LYS 30 3HZ LYS 30 -2.772 -0.627 -1.557 250 H LYS 31 H LYS 31 -0.816 0.022 -8.040 251 HA LYS 31 HA LYS 31 -1.770 -2.119 -9.710 252 1HB LYS 31 1HB LYS 31 -2.207 0.317 -10.140 253 2HB LYS 31 2HB LYS 31 -0.495 0.486 -10.560 254 1HG LYS 31 1HG LYS 31 -1.238 0.141 -12.654 255 2HG LYS 31 2HG LYS 31 -1.169 -1.562 -12.170 256 1HD LYS 31 1HD LYS 31 -3.665 -0.367 -11.332 257 2HD LYS 31 2HD LYS 31 -3.407 -0.149 -13.072 258 1HE LYS 31 1HE LYS 31 -3.484 -2.393 -13.521 259 2HE LYS 31 2HE LYS 31 -2.847 -2.831 -11.929 260 1HZ LYS 31 1HZ LYS 31 -5.305 -1.629 -11.487 261 2HZ LYS 31 2HZ LYS 31 -4.913 -3.266 -11.309 262 3HZ LYS 31 3HZ LYS 31 -5.536 -2.700 -12.777 263 H GLU 32 H GLU 32 1.303 -0.909 -8.664 264 HA GLU 32 HA GLU 32 2.929 -1.923 -10.724 265 1HB GLU 32 1HB GLU 32 3.696 -0.282 -9.051 266 2HB GLU 32 2HB GLU 32 3.616 -1.538 -7.805 267 1HG GLU 32 1HG GLU 32 5.351 -2.813 -8.896 268 2HG GLU 32 2HG GLU 32 5.383 -1.659 -10.238 269 HE2 GLU 32 HE2 GLU 32 7.713 0.206 -8.582 270 H LYS 33 H LYS 33 1.626 -3.383 -7.804 271 HA LYS 33 HA LYS 33 2.842 -5.948 -8.588 272 1HB LYS 33 1HB LYS 33 1.906 -4.953 -5.888 273 2HB LYS 33 2HB LYS 33 2.405 -6.622 -6.206 274 1HG LYS 33 1HG LYS 33 4.628 -5.711 -6.964 275 2HG LYS 33 2HG LYS 33 4.099 -4.142 -6.332 276 1HD LYS 33 1HD LYS 33 4.326 -4.772 -4.166 277 2HD LYS 33 2HD LYS 33 3.796 -6.431 -4.494 278 1HE LYS 33 1HE LYS 33 6.262 -6.087 -5.841 279 2HE LYS 33 2HE LYS 33 6.455 -5.410 -4.217 280 1HZ LYS 33 1HZ LYS 33 6.923 -7.879 -4.541 281 2HZ LYS 33 2HZ LYS 33 5.246 -8.074 -4.621 282 3HZ LYS 33 3HZ LYS 33 5.957 -7.437 -3.224 283 H LEU 34 H LEU 34 0.038 -5.092 -6.573 284 HA LEU 34 HA LEU 34 -1.935 -5.959 -8.373 285 1HB LEU 34 1HB LEU 34 -2.586 -8.072 -7.186 286 2HB LEU 34 2HB LEU 34 -1.099 -8.160 -8.145 287 HG LEU 34 HG LEU 34 -0.047 -7.594 -5.735 288 1HD1 LEU 34 1HD1 LEU 34 -1.240 -8.307 -3.952 289 2HD1 LEU 34 2HD1 LEU 34 -2.101 -9.537 -4.876 290 3HD1 LEU 34 3HD1 LEU 34 -2.599 -7.849 -4.980 291 1HD2 LEU 34 1HD2 LEU 34 0.594 -9.430 -7.212 292 2HD2 LEU 34 2HD2 LEU 34 -0.838 -10.335 -6.720 293 3HD2 LEU 34 3HD2 LEU 34 0.430 -9.981 -5.544 294 H LEU 35 H LEU 35 -4.037 -6.562 -7.063 295 HA LEU 35 HA LEU 35 -4.400 -4.406 -5.166 296 1HB LEU 35 1HB LEU 35 -5.997 -5.194 -7.075 297 2HB LEU 35 2HB LEU 35 -6.517 -6.393 -5.878 298 HG LEU 35 HG LEU 35 -6.602 -3.898 -4.577 299 1HD1 LEU 35 1HD1 LEU 35 -6.529 -2.968 -6.914 300 2HD1 LEU 35 2HD1 LEU 35 -7.939 -2.515 -5.957 301 3HD1 LEU 35 3HD1 LEU 35 -8.078 -3.763 -7.195 302 1HD2 LEU 35 1HD2 LEU 35 -8.052 -5.824 -4.163 303 2HD2 LEU 35 2HD2 LEU 35 -8.817 -5.589 -5.735 304 3HD2 LEU 35 3HD2 LEU 35 -8.993 -4.365 -4.477 305 H PHE 36 H PHE 36 -5.336 -7.851 -5.122 306 HA PHE 36 HA PHE 36 -5.833 -8.028 -2.397 307 1HB PHE 36 1HB PHE 36 -5.600 -9.834 -4.618 308 2HB PHE 36 2HB PHE 36 -4.765 -10.522 -3.224 309 HD1 PHE 36 HD2 PHE 36 -8.006 -9.437 -4.529 310 HD2 PHE 36 HD1 PHE 36 -5.949 -11.181 -1.238 311 HE1 PHE 36 HE2 PHE 36 -10.155 -10.163 -3.576 312 HE2 PHE 36 HE1 PHE 36 -8.095 -11.911 -0.279 313 HZ PHE 36 HZ PHE 36 -10.201 -11.401 -1.447 Start of MODEL 5 1 1H MET 1 1H MET 1 -8.723 -12.288 4.202 2 2H MET 1 2H MET 1 -8.244 -10.851 3.534 3 3H MET 1 3H MET 1 -7.241 -12.166 3.474 4 HA MET 1 HA MET 1 -8.090 -10.756 5.872 5 1HB MET 1 1HB MET 1 -6.269 -13.134 5.446 6 2HB MET 1 2HB MET 1 -6.332 -12.206 6.952 7 1HG MET 1 1HG MET 1 -8.911 -13.232 5.906 8 2HG MET 1 2HG MET 1 -7.765 -14.415 6.543 9 1HE MET 1 1HE MET 1 -10.541 -12.659 6.962 10 2HE MET 1 2HE MET 1 -10.916 -13.009 8.650 11 3HE MET 1 3HE MET 1 -10.356 -11.402 8.186 12 H LEU 2 H LEU 2 -6.980 -8.957 6.240 13 HA LEU 2 HA LEU 2 -4.222 -8.737 5.298 14 1HB LEU 2 1HB LEU 2 -5.461 -7.734 3.512 15 2HB LEU 2 2HB LEU 2 -6.434 -6.796 4.659 16 HG LEU 2 HG LEU 2 -3.602 -6.211 4.914 17 1HD1 LEU 2 1HD1 LEU 2 -4.897 -5.578 2.267 18 2HD1 LEU 2 2HD1 LEU 2 -3.642 -6.792 2.512 19 3HD1 LEU 2 3HD1 LEU 2 -3.291 -5.090 2.807 20 1HD2 LEU 2 1HD2 LEU 2 -5.991 -4.984 5.428 21 2HD2 LEU 2 2HD2 LEU 2 -5.434 -4.130 3.990 22 3HD2 LEU 2 3HD2 LEU 2 -4.416 -4.191 5.429 23 H SER 3 H SER 3 -3.374 -8.698 7.329 24 HA SER 3 HA SER 3 -4.484 -6.915 9.338 25 1HB SER 3 1HB SER 3 -2.093 -7.997 10.328 26 2HB SER 3 2HB SER 3 -3.739 -8.564 10.665 27 HG SER 3 HG SER 3 -2.012 -9.458 8.600 28 H ASP 4 H ASP 4 -3.032 -5.458 10.550 29 HA ASP 4 HA ASP 4 -1.845 -3.554 8.913 30 1HB ASP 4 1HB ASP 4 -0.907 -2.583 10.970 31 2HB ASP 4 2HB ASP 4 -2.597 -3.057 11.186 32 HD2 ASP 4 HD2 ASP 4 -1.769 -5.531 13.483 33 H GLU 5 H GLU 5 -0.399 -6.277 10.626 34 HA GLU 5 HA GLU 5 2.297 -5.584 10.052 35 1HB GLU 5 1HB GLU 5 0.885 -8.023 11.056 36 2HB GLU 5 2HB GLU 5 2.559 -8.171 10.501 37 1HG GLU 5 1HG GLU 5 1.868 -6.017 12.446 38 2HG GLU 5 2HG GLU 5 2.009 -7.687 13.012 39 HE2 GLU 5 HE2 GLU 5 5.460 -7.716 12.477 40 H ASP 6 H ASP 6 -0.158 -7.445 8.387 41 HA ASP 6 HA ASP 6 1.649 -8.538 6.439 42 1HB ASP 6 1HB ASP 6 -0.503 -9.627 7.141 43 2HB ASP 6 2HB ASP 6 -1.363 -8.343 6.281 44 HD2 ASP 6 HD2 ASP 6 0.308 -11.232 4.181 45 H PHE 7 H PHE 7 -0.198 -5.636 6.787 46 HA PHE 7 HA PHE 7 -0.393 -4.898 4.070 47 1HB PHE 7 1HB PHE 7 -1.689 -3.879 5.962 48 2HB PHE 7 2HB PHE 7 -0.213 -3.048 6.456 49 HD1 PHE 7 HD2 PHE 7 0.720 -1.232 5.143 50 HD2 PHE 7 HD1 PHE 7 -2.888 -3.171 3.983 51 HE1 PHE 7 HE2 PHE 7 0.226 0.619 3.598 52 HE2 PHE 7 HE1 PHE 7 -3.387 -1.324 2.436 53 HZ PHE 7 HZ PHE 7 -1.829 0.575 2.243 54 H LYS 8 H LYS 8 2.008 -4.124 6.567 55 HA LYS 8 HA LYS 8 3.624 -2.502 4.893 56 1HB LYS 8 1HB LYS 8 4.396 -4.025 7.395 57 2HB LYS 8 2HB LYS 8 5.307 -2.696 6.661 58 1HG LYS 8 1HG LYS 8 4.012 -1.119 7.582 59 2HG LYS 8 2HG LYS 8 2.525 -2.032 7.272 60 1HD LYS 8 1HD LYS 8 2.459 -2.814 9.361 61 2HD LYS 8 2HD LYS 8 4.155 -3.327 9.281 62 1HE LYS 8 1HE LYS 8 3.700 -0.409 9.515 63 2HE LYS 8 2HE LYS 8 3.250 -1.387 10.920 64 1HZ LYS 8 1HZ LYS 8 5.908 -1.081 9.673 65 2HZ LYS 8 2HZ LYS 8 5.558 -2.416 10.651 66 3HZ LYS 8 3HZ LYS 8 5.463 -0.852 11.290 67 H ALA 9 H ALA 9 3.208 -5.877 5.145 68 HA ALA 9 HA ALA 9 5.807 -6.690 4.294 69 1HB ALA 9 1HB ALA 9 4.785 -8.881 3.939 70 2HB ALA 9 2HB ALA 9 4.325 -8.206 5.502 71 3HB ALA 9 3HB ALA 9 3.184 -8.173 4.159 72 H VAL 10 H VAL 10 2.702 -6.233 2.629 73 HA VAL 10 HA VAL 10 3.817 -6.875 0.054 74 HB VAL 10 HB VAL 10 1.137 -5.826 0.933 75 1HG1 VAL 10 1HG1 VAL 10 1.579 -4.747 -1.170 76 2HG1 VAL 10 2HG1 VAL 10 2.118 -6.267 -1.885 77 3HG1 VAL 10 3HG1 VAL 10 0.426 -6.053 -1.435 78 1HG2 VAL 10 1HG2 VAL 10 1.861 -8.269 1.182 79 2HG2 VAL 10 2HG2 VAL 10 0.320 -7.951 0.386 80 3HG2 VAL 10 3HG2 VAL 10 1.744 -8.350 -0.575 81 H PHE 11 H PHE 11 2.954 -3.950 1.822 82 HA PHE 11 HA PHE 11 3.225 -2.102 -0.261 83 1HB PHE 11 1HB PHE 11 2.955 -2.043 2.616 84 2HB PHE 11 2HB PHE 11 4.123 -0.832 2.086 85 HD1 PHE 11 HD2 PHE 11 1.107 -2.005 0.276 86 HD2 PHE 11 HD1 PHE 11 2.989 1.180 2.381 87 HE1 PHE 11 HE2 PHE 11 -0.720 -0.495 -0.381 88 HE2 PHE 11 HE1 PHE 11 1.164 2.695 1.728 89 HZ PHE 11 HZ PHE 11 -0.693 1.859 0.344 90 H GLY 12 H GLY 12 5.618 -3.357 2.038 91 1HA GLY 12 1HA GLY 12 7.895 -3.698 1.562 92 2HA GLY 12 2HA GLY 12 7.730 -2.669 0.147 93 H MET 13 H MET 13 6.353 -0.585 1.783 94 HA MET 13 HA MET 13 8.724 0.432 3.210 95 1HB MET 13 1HB MET 13 8.084 1.540 0.982 96 2HB MET 13 2HB MET 13 6.690 2.192 1.856 97 1HG MET 13 1HG MET 13 8.400 3.859 1.837 98 2HG MET 13 2HG MET 13 8.247 3.228 3.479 99 1HE MET 13 1HE MET 13 10.676 4.880 3.048 100 2HE MET 13 2HE MET 13 12.108 4.150 2.323 101 3HE MET 13 3HE MET 13 10.743 4.611 1.306 102 H THR 14 H THR 14 8.273 1.960 4.947 103 HA THR 14 HA THR 14 6.549 1.030 6.863 104 HB THR 14 HB THR 14 6.626 3.719 7.461 105 HG1 THR 14 HG1 THR 14 8.810 4.301 6.849 106 1HG2 THR 14 1HG2 THR 14 7.293 2.169 9.083 107 2HG2 THR 14 2HG2 THR 14 8.779 3.042 8.706 108 3HG2 THR 14 3HG2 THR 14 8.500 1.440 8.024 109 H ARG 15 H ARG 15 4.437 0.672 6.496 110 HA ARG 15 HA ARG 15 2.740 2.080 4.823 111 1HB ARG 15 1HB ARG 15 0.969 0.890 5.770 112 2HB ARG 15 2HB ARG 15 2.369 -0.162 6.031 113 1HG ARG 15 1HG ARG 15 1.549 -0.290 8.122 114 2HG ARG 15 2HG ARG 15 2.425 1.238 8.321 115 1HD ARG 15 1HD ARG 15 0.143 1.411 9.197 116 2HD ARG 15 2HD ARG 15 0.394 2.489 7.817 117 HE ARG 15 HE ARG 15 -0.640 0.306 6.642 118 1HH1 ARG 15 1HH1 ARG 15 -1.628 2.164 9.415 119 2HH1 ARG 15 2HH1 ARG 15 -3.315 1.831 9.201 120 1HH2 ARG 15 1HH2 ARG 15 -2.858 -0.142 6.351 121 2HH2 ARG 15 2HH2 ARG 15 -4.013 0.517 7.458 122 H SER 16 H SER 16 3.849 2.865 8.008 123 HA SER 16 HA SER 16 1.806 4.691 8.723 124 1HB SER 16 1HB SER 16 4.081 3.631 9.948 125 2HB SER 16 2HB SER 16 4.414 5.366 9.823 126 HG SER 16 HG SER 16 2.053 4.236 10.924 127 H ALA 17 H ALA 17 4.976 5.115 7.187 128 HA ALA 17 HA ALA 17 4.738 7.948 6.946 129 1HB ALA 17 1HB ALA 17 6.549 6.075 5.427 130 2HB ALA 17 2HB ALA 17 6.738 7.821 5.593 131 3HB ALA 17 3HB ALA 17 6.908 6.777 7.004 132 H PHE 18 H PHE 18 3.942 5.211 4.901 133 HA PHE 18 HA PHE 18 3.440 6.777 2.557 134 1HB PHE 18 1HB PHE 18 3.346 3.953 3.325 135 2HB PHE 18 2HB PHE 18 2.043 4.410 2.226 136 HD1 PHE 18 HD2 PHE 18 5.492 5.769 2.332 137 HD2 PHE 18 HD1 PHE 18 2.654 3.404 0.216 138 HE1 PHE 18 HE2 PHE 18 7.031 5.640 0.417 139 HE2 PHE 18 HE1 PHE 18 4.189 3.271 -1.701 140 HZ PHE 18 HZ PHE 18 6.381 4.391 -1.603 141 H ALA 19 H ALA 19 1.504 5.515 5.205 142 HA ALA 19 HA ALA 19 -1.048 5.959 4.162 143 1HB ALA 19 1HB ALA 19 -1.812 5.984 6.489 144 2HB ALA 19 2HB ALA 19 -0.666 4.676 6.195 145 3HB ALA 19 3HB ALA 19 -0.141 6.135 7.033 146 H ASN 20 H ASN 20 1.344 8.189 5.185 147 HA ASN 20 HA ASN 20 -0.245 10.353 6.000 148 1HB ASN 20 1HB ASN 20 2.498 10.214 4.736 149 2HB ASN 20 2HB ASN 20 1.766 11.737 5.259 150 1HD2 ASN 20 1HD2 ASN 20 0.601 11.214 7.580 151 2HD2 ASN 20 2HD2 ASN 20 1.745 10.660 8.751 152 H LEU 21 H LEU 21 0.219 8.955 2.921 153 HA LEU 21 HA LEU 21 -0.717 11.360 1.535 154 1HB LEU 21 1HB LEU 21 0.878 9.019 0.811 155 2HB LEU 21 2HB LEU 21 -0.377 9.413 -0.379 156 HG LEU 21 HG LEU 21 0.567 11.520 -0.839 157 1HD1 LEU 21 1HD1 LEU 21 2.335 11.117 1.569 158 2HD1 LEU 21 2HD1 LEU 21 0.987 12.245 1.438 159 3HD1 LEU 21 3HD1 LEU 21 2.426 12.473 0.445 160 1HD2 LEU 21 1HD2 LEU 21 3.207 10.434 -0.608 161 2HD2 LEU 21 2HD2 LEU 21 2.206 10.636 -2.045 162 3HD2 LEU 21 3HD2 LEU 21 2.079 9.164 -1.083 163 HA PRO 22 HA PRO 22 -4.817 9.918 0.936 164 1HB PRO 22 1HB PRO 22 -5.352 10.702 -1.633 165 2HB PRO 22 2HB PRO 22 -5.212 11.825 -0.282 166 1HG PRO 22 1HG PRO 22 -3.165 11.050 -2.332 167 2HG PRO 22 2HG PRO 22 -3.596 12.689 -1.716 168 1HD PRO 22 1HD PRO 22 -1.400 11.336 -0.869 169 2HD PRO 22 2HD PRO 22 -2.329 12.412 0.190 170 H LEU 23 H LEU 23 -6.163 8.385 -0.166 171 HA LEU 23 HA LEU 23 -4.899 5.991 -0.842 172 1HB LEU 23 1HB LEU 23 -7.696 6.997 -1.356 173 2HB LEU 23 2HB LEU 23 -7.172 5.351 -1.757 174 HG LEU 23 HG LEU 23 -6.461 5.622 0.902 175 1HD1 LEU 23 1HD1 LEU 23 -8.146 7.712 0.518 176 2HD1 LEU 23 2HD1 LEU 23 -7.935 6.863 2.049 177 3HD1 LEU 23 3HD1 LEU 23 -9.276 6.440 0.984 178 1HD2 LEU 23 1HD2 LEU 23 -7.374 3.624 -0.064 179 2HD2 LEU 23 2HD2 LEU 23 -8.915 4.424 -0.375 180 3HD2 LEU 23 3HD2 LEU 23 -8.399 4.116 1.284 181 H TRP 24 H TRP 24 -5.655 8.751 -2.764 182 HA TRP 24 HA TRP 24 -5.853 7.670 -5.312 183 1HB TRP 24 1HB TRP 24 -4.968 10.292 -4.197 184 2HB TRP 24 2HB TRP 24 -4.576 9.953 -5.884 185 HD1 TRP 24 HD1 TRP 24 -7.673 10.258 -3.596 186 HE1 TRP 24 HE1 TRP 24 -9.692 10.891 -5.061 187 HE3 TRP 24 HE3 TRP 24 -5.460 9.969 -8.196 188 HZ2 TRP 24 HZ2 TRP 24 -10.271 11.222 -7.804 189 HZ3 TRP 24 HZ3 TRP 24 -6.817 10.458 -10.189 190 HH2 TRP 24 HH2 TRP 24 -9.172 11.070 -9.995 191 H LYS 25 H LYS 25 -2.967 8.486 -3.434 192 HA LYS 25 HA LYS 25 -1.118 7.859 -5.503 193 1HB LYS 25 1HB LYS 25 -0.804 9.281 -3.340 194 2HB LYS 25 2HB LYS 25 -0.428 7.723 -2.586 195 1HG LYS 25 1HG LYS 25 1.024 8.076 -5.071 196 2HG LYS 25 2HG LYS 25 1.336 9.389 -3.920 197 1HD LYS 25 1HD LYS 25 1.578 7.401 -2.202 198 2HD LYS 25 2HD LYS 25 1.914 6.474 -3.676 199 1HE LYS 25 1HE LYS 25 3.346 9.036 -3.529 200 2HE LYS 25 2HE LYS 25 3.764 7.892 -2.245 201 1HZ LYS 25 1HZ LYS 25 3.641 6.831 -4.957 202 2HZ LYS 25 2HZ LYS 25 4.702 6.454 -3.695 203 3HZ LYS 25 3HZ LYS 25 4.934 7.863 -4.602 204 H GLN 26 H GLN 26 -2.828 5.992 -3.146 205 HA GLN 26 HA GLN 26 -1.101 3.728 -3.140 206 1HB GLN 26 1HB GLN 26 -3.051 4.467 -1.506 207 2HB GLN 26 2HB GLN 26 -4.021 3.453 -2.586 208 1HG GLN 26 1HG GLN 26 -2.901 1.509 -2.008 209 2HG GLN 26 2HG GLN 26 -1.489 2.391 -1.412 210 1HE2 GLN 26 1HE2 GLN 26 -2.336 4.102 0.367 211 2HE2 GLN 26 2HE2 GLN 26 -3.203 3.343 1.654 212 H GLN 27 H GLN 27 -3.600 4.862 -5.245 213 HA GLN 27 HA GLN 27 -4.385 2.463 -6.453 214 1HB GLN 27 1HB GLN 27 -4.771 5.262 -6.883 215 2HB GLN 27 2HB GLN 27 -4.351 4.506 -8.429 216 1HG GLN 27 1HG GLN 27 -6.148 2.750 -7.789 217 2HG GLN 27 2HG GLN 27 -6.701 3.994 -6.660 218 1HE2 GLN 27 1HE2 GLN 27 -6.267 6.282 -8.092 219 2HE2 GLN 27 2HE2 GLN 27 -7.293 6.304 -9.482 220 H ASN 28 H ASN 28 -1.555 4.457 -6.902 221 HA ASN 28 HA ASN 28 -0.724 3.172 -9.334 222 1HB ASN 28 1HB ASN 28 -0.084 5.492 -8.842 223 2HB ASN 28 2HB ASN 28 0.822 4.941 -7.427 224 1HD2 ASN 28 1HD2 ASN 28 2.648 5.980 -8.407 225 2HD2 ASN 28 2HD2 ASN 28 3.550 5.159 -9.630 226 H LEU 29 H LEU 29 0.198 2.981 -5.918 227 HA LEU 29 HA LEU 29 2.343 1.239 -6.116 228 1HB LEU 29 1HB LEU 29 0.862 2.382 -4.073 229 2HB LEU 29 2HB LEU 29 0.622 0.639 -3.851 230 HG LEU 29 HG LEU 29 3.175 2.212 -3.704 231 1HD1 LEU 29 1HD1 LEU 29 3.361 1.171 -1.538 232 2HD1 LEU 29 2HD1 LEU 29 1.925 0.195 -1.845 233 3HD1 LEU 29 3HD1 LEU 29 1.782 1.945 -1.682 234 1HD2 LEU 29 1HD2 LEU 29 4.061 -0.264 -3.301 235 2HD2 LEU 29 2HD2 LEU 29 4.069 0.495 -4.893 236 3HD2 LEU 29 3HD2 LEU 29 2.780 -0.628 -4.457 237 H LYS 30 H LYS 30 -1.112 0.550 -6.094 238 HA LYS 30 HA LYS 30 -1.012 -2.225 -5.818 239 1HB LYS 30 1HB LYS 30 -3.110 -1.087 -5.628 240 2HB LYS 30 2HB LYS 30 -2.973 -0.452 -7.276 241 1HG LYS 30 1HG LYS 30 -2.963 -3.406 -6.929 242 2HG LYS 30 2HG LYS 30 -4.491 -2.537 -6.697 243 1HD LYS 30 1HD LYS 30 -4.761 -2.255 -8.894 244 2HD LYS 30 2HD LYS 30 -3.124 -1.594 -9.059 245 1HE LYS 30 1HE LYS 30 -2.239 -3.568 -9.730 246 2HE LYS 30 2HE LYS 30 -3.270 -4.504 -8.639 247 1HZ LYS 30 1HZ LYS 30 -5.136 -3.896 -10.248 248 2HZ LYS 30 2HZ LYS 30 -4.020 -5.064 -10.747 249 3HZ LYS 30 3HZ LYS 30 -3.907 -3.482 -11.333 250 H LYS 31 H LYS 31 -0.926 -0.227 -8.752 251 HA LYS 31 HA LYS 31 -0.649 -2.496 -10.491 252 1HB LYS 31 1HB LYS 31 -1.726 -0.333 -11.153 253 2HB LYS 31 2HB LYS 31 -0.121 0.415 -11.110 254 1HG LYS 31 1HG LYS 31 0.638 -1.201 -12.835 255 2HG LYS 31 2HG LYS 31 -1.027 -1.800 -12.936 256 1HD LYS 31 1HD LYS 31 -0.801 1.118 -13.162 257 2HD LYS 31 2HD LYS 31 0.018 0.224 -14.454 258 1HE LYS 31 1HE LYS 31 -2.623 -0.861 -13.838 259 2HE LYS 31 2HE LYS 31 -2.672 0.832 -14.346 260 1HZ LYS 31 1HZ LYS 31 -2.840 -0.454 -16.292 261 2HZ LYS 31 2HZ LYS 31 -1.564 -1.471 -15.842 262 3HZ LYS 31 3HZ LYS 31 -1.252 0.134 -16.280 263 H GLU 32 H GLU 32 1.489 -0.406 -8.745 264 HA GLU 32 HA GLU 32 3.831 -0.660 -10.239 265 1HB GLU 32 1HB GLU 32 3.557 0.895 -8.345 266 2HB GLU 32 2HB GLU 32 3.564 -0.483 -7.233 267 1HG GLU 32 1HG GLU 32 5.727 0.528 -7.191 268 2HG GLU 32 2HG GLU 32 5.849 -1.040 -8.001 269 HE2 GLU 32 HE2 GLU 32 6.908 2.152 -9.970 270 H LYS 33 H LYS 33 2.386 -2.810 -7.855 271 HA LYS 33 HA LYS 33 4.156 -4.946 -8.774 272 1HB LYS 33 1HB LYS 33 3.671 -4.469 -5.830 273 2HB LYS 33 2HB LYS 33 4.777 -5.638 -6.571 274 1HG LYS 33 1HG LYS 33 6.224 -3.877 -7.347 275 2HG LYS 33 2HG LYS 33 5.078 -2.649 -6.781 276 1HD LYS 33 1HD LYS 33 5.905 -2.708 -4.710 277 2HD LYS 33 2HD LYS 33 5.764 -4.473 -4.650 278 1HE LYS 33 1HE LYS 33 8.094 -3.704 -4.343 279 2HE LYS 33 2HE LYS 33 7.890 -4.727 -5.773 280 1HZ LYS 33 1HZ LYS 33 7.811 -2.723 -7.142 281 2HZ LYS 33 2HZ LYS 33 9.265 -2.827 -6.283 282 3HZ LYS 33 3HZ LYS 33 8.055 -1.761 -5.771 283 H LEU 34 H LEU 34 1.758 -4.512 -6.169 284 HA LEU 34 HA LEU 34 -0.328 -5.876 -7.465 285 1HB LEU 34 1HB LEU 34 -0.218 -8.041 -6.755 286 2HB LEU 34 2HB LEU 34 1.507 -7.680 -6.941 287 HG LEU 34 HG LEU 34 -0.005 -7.636 -4.329 288 1HD1 LEU 34 1HD1 LEU 34 2.044 -9.598 -4.428 289 2HD1 LEU 34 2HD1 LEU 34 1.001 -9.817 -5.833 290 3HD1 LEU 34 3HD1 LEU 34 0.309 -9.824 -4.212 291 1HD2 LEU 34 1HD2 LEU 34 1.795 -6.118 -4.160 292 2HD2 LEU 34 2HD2 LEU 34 2.882 -7.188 -5.048 293 3HD2 LEU 34 3HD2 LEU 34 2.358 -7.617 -3.419 294 H LEU 35 H LEU 35 -1.970 -6.725 -5.716 295 HA LEU 35 HA LEU 35 -1.858 -5.528 -3.134 296 1HB LEU 35 1HB LEU 35 -2.255 -3.520 -4.511 297 2HB LEU 35 2HB LEU 35 -3.724 -4.279 -5.148 298 HG LEU 35 HG LEU 35 -4.496 -4.349 -2.685 299 1HD1 LEU 35 1HD1 LEU 35 -2.907 -1.932 -2.206 300 2HD1 LEU 35 2HD1 LEU 35 -1.988 -3.437 -2.187 301 3HD1 LEU 35 3HD1 LEU 35 -3.366 -3.231 -1.105 302 1HD2 LEU 35 1HD2 LEU 35 -5.697 -2.433 -3.045 303 2HD2 LEU 35 2HD2 LEU 35 -5.141 -2.768 -4.685 304 3HD2 LEU 35 3HD2 LEU 35 -4.316 -1.557 -3.702 305 H PHE 36 H PHE 36 -2.902 -6.943 -1.918 306 HA PHE 36 HA PHE 36 -5.586 -7.720 -2.404 307 1HB PHE 36 1HB PHE 36 -3.495 -9.385 -3.534 308 2HB PHE 36 2HB PHE 36 -4.451 -10.278 -2.350 309 HD1 PHE 36 HD1 PHE 36 -7.112 -9.656 -2.584 310 HD2 PHE 36 HD2 PHE 36 -4.212 -9.663 -5.699 311 HE1 PHE 36 HE1 PHE 36 -8.898 -9.996 -4.241 312 HE2 PHE 36 HE2 PHE 36 -5.992 -10.002 -7.361 313 HZ PHE 36 HZ PHE 36 -8.339 -10.168 -6.634 Start of MODEL 6 1 1H MET 1 1H MET 1 -10.627 -9.933 4.686 2 2H MET 1 2H MET 1 -9.669 -8.619 4.380 3 3H MET 1 3H MET 1 -9.404 -10.040 3.574 4 HA MET 1 HA MET 1 -9.087 -9.596 6.431 5 1HB MET 1 1HB MET 1 -8.464 -12.033 4.743 6 2HB MET 1 2HB MET 1 -8.163 -11.863 6.479 7 1HG MET 1 1HG MET 1 -10.381 -12.069 7.043 8 2HG MET 1 2HG MET 1 -10.934 -11.487 5.470 9 1HE MET 1 1HE MET 1 -9.205 -14.036 7.438 10 2HE MET 1 2HE MET 1 -10.017 -15.539 6.997 11 3HE MET 1 3HE MET 1 -8.543 -15.054 6.158 12 H LEU 2 H LEU 2 -7.448 -8.193 6.605 13 HA LEU 2 HA LEU 2 -4.902 -8.894 5.393 14 1HB LEU 2 1HB LEU 2 -5.875 -7.435 3.722 15 2HB LEU 2 2HB LEU 2 -6.235 -6.224 4.965 16 HG LEU 2 HG LEU 2 -3.687 -6.129 5.322 17 1HD1 LEU 2 1HD1 LEU 2 -3.022 -6.679 2.631 18 2HD1 LEU 2 2HD1 LEU 2 -3.838 -8.103 3.278 19 3HD1 LEU 2 3HD1 LEU 2 -2.413 -7.458 4.092 20 1HD2 LEU 2 1HD2 LEU 2 -3.465 -4.612 3.297 21 2HD2 LEU 2 2HD2 LEU 2 -4.773 -4.246 4.422 22 3HD2 LEU 2 3HD2 LEU 2 -5.121 -5.073 2.902 23 H SER 3 H SER 3 -3.786 -9.130 7.234 24 HA SER 3 HA SER 3 -4.221 -7.632 9.590 25 1HB SER 3 1HB SER 3 -1.556 -8.635 9.602 26 2HB SER 3 2HB SER 3 -2.983 -9.305 10.414 27 HG SER 3 HG SER 3 -1.925 -9.953 7.882 28 H ASP 4 H ASP 4 -3.159 -5.893 10.460 29 HA ASP 4 HA ASP 4 -2.054 -4.006 8.662 30 1HB ASP 4 1HB ASP 4 -1.692 -3.849 11.646 31 2HB ASP 4 2HB ASP 4 -1.942 -2.538 10.487 32 HD2 ASP 4 HD2 ASP 4 -5.424 -3.731 10.315 33 H GLU 5 H GLU 5 -0.637 -6.207 11.029 34 HA GLU 5 HA GLU 5 1.978 -5.255 11.031 35 1HB GLU 5 1HB GLU 5 2.626 -7.580 11.666 36 2HB GLU 5 2HB GLU 5 1.298 -6.913 12.628 37 1HG GLU 5 1HG GLU 5 0.582 -8.507 10.226 38 2HG GLU 5 2HG GLU 5 1.237 -9.366 11.628 39 HE2 GLU 5 HE2 GLU 5 -1.896 -7.385 12.860 40 H ASP 6 H ASP 6 0.309 -7.311 8.731 41 HA ASP 6 HA ASP 6 2.713 -7.901 7.240 42 1HB ASP 6 1HB ASP 6 0.553 -9.355 7.501 43 2HB ASP 6 2HB ASP 6 -0.058 -8.349 6.182 44 HD2 ASP 6 HD2 ASP 6 1.499 -10.452 3.989 45 H PHE 7 H PHE 7 0.256 -5.487 7.252 46 HA PHE 7 HA PHE 7 0.199 -4.617 4.633 47 1HB PHE 7 1HB PHE 7 -1.213 -3.730 6.479 48 2HB PHE 7 2HB PHE 7 0.191 -2.854 7.091 49 HD1 PHE 7 HD2 PHE 7 1.262 -1.086 5.654 50 HD2 PHE 7 HD1 PHE 7 -2.520 -2.816 4.748 51 HE1 PHE 7 HE2 PHE 7 0.748 0.817 4.183 52 HE2 PHE 7 HE1 PHE 7 -3.040 -0.916 3.273 53 HZ PHE 7 HZ PHE 7 -1.405 0.904 2.990 54 H LYS 8 H LYS 8 2.506 -3.737 7.182 55 HA LYS 8 HA LYS 8 4.029 -1.985 5.533 56 1HB LYS 8 1HB LYS 8 3.916 -2.025 8.084 57 2HB LYS 8 2HB LYS 8 5.036 -3.393 8.001 58 1HG LYS 8 1HG LYS 8 6.172 -1.418 6.375 59 2HG LYS 8 2HG LYS 8 5.580 -0.579 7.819 60 1HD LYS 8 1HD LYS 8 7.637 -1.197 8.593 61 2HD LYS 8 2HD LYS 8 6.718 -2.647 9.034 62 1HE LYS 8 1HE LYS 8 7.876 -2.595 6.301 63 2HE LYS 8 2HE LYS 8 9.014 -2.726 7.650 64 1HZ LYS 8 1HZ LYS 8 7.950 -4.691 8.409 65 2HZ LYS 8 2HZ LYS 8 8.217 -4.886 6.751 66 3HZ LYS 8 3HZ LYS 8 6.668 -4.511 7.318 67 H ALA 9 H ALA 9 3.962 -5.400 5.989 68 HA ALA 9 HA ALA 9 6.617 -5.953 5.102 69 1HB ALA 9 1HB ALA 9 4.203 -7.762 5.135 70 2HB ALA 9 2HB ALA 9 5.885 -8.267 4.964 71 3HB ALA 9 3HB ALA 9 5.334 -7.533 6.470 72 H VAL 10 H VAL 10 3.450 -5.848 3.526 73 HA VAL 10 HA VAL 10 4.503 -6.637 0.967 74 HB VAL 10 HB VAL 10 1.807 -5.644 1.862 75 1HG1 VAL 10 1HG1 VAL 10 2.712 -6.273 -0.944 76 2HG1 VAL 10 2HG1 VAL 10 1.027 -6.099 -0.451 77 3HG1 VAL 10 3HG1 VAL 10 2.127 -4.724 -0.337 78 1HG2 VAL 10 1HG2 VAL 10 2.654 -8.023 2.282 79 2HG2 VAL 10 2HG2 VAL 10 1.075 -7.842 1.519 80 3HG2 VAL 10 3HG2 VAL 10 2.484 -8.254 0.543 81 H PHE 11 H PHE 11 3.572 -3.628 2.542 82 HA PHE 11 HA PHE 11 3.668 -1.933 0.317 83 1HB PHE 11 1HB PHE 11 3.537 -1.665 3.197 84 2HB PHE 11 2HB PHE 11 4.606 -0.442 2.508 85 HD1 PHE 11 HD2 PHE 11 1.576 -1.912 0.958 86 HD2 PHE 11 HD1 PHE 11 3.368 1.522 2.723 87 HE1 PHE 11 HE2 PHE 11 -0.367 -0.558 0.291 88 HE2 PHE 11 HE1 PHE 11 1.428 2.881 2.059 89 HZ PHE 11 HZ PHE 11 -0.443 1.841 0.840 90 H GLY 12 H GLY 12 6.216 -2.938 2.568 91 1HA GLY 12 1HA GLY 12 8.481 -3.216 1.999 92 2HA GLY 12 2HA GLY 12 8.206 -2.277 0.539 93 H MET 13 H MET 13 6.818 -0.162 2.131 94 HA MET 13 HA MET 13 9.210 1.032 3.372 95 1HB MET 13 1HB MET 13 8.407 1.986 1.125 96 2HB MET 13 2HB MET 13 7.031 2.625 2.037 97 1HG MET 13 1HG MET 13 8.662 4.360 1.836 98 2HG MET 13 2HG MET 13 8.615 3.818 3.515 99 1HE MET 13 1HE MET 13 10.374 4.961 0.870 100 2HE MET 13 2HE MET 13 11.676 5.320 2.006 101 3HE MET 13 3HE MET 13 11.941 4.169 0.694 102 H THR 14 H THR 14 8.776 2.639 5.044 103 HA THR 14 HA THR 14 7.211 1.748 7.103 104 HB THR 14 HB THR 14 7.543 4.706 6.792 105 HG1 THR 14 HG1 THR 14 9.652 4.554 6.689 106 1HG2 THR 14 1HG2 THR 14 8.337 3.072 9.164 107 2HG2 THR 14 2HG2 THR 14 6.626 3.351 8.843 108 3HG2 THR 14 3HG2 THR 14 7.711 4.718 9.093 109 H ARG 15 H ARG 15 5.106 1.260 6.894 110 HA ARG 15 HA ARG 15 3.241 2.454 5.233 111 1HB ARG 15 1HB ARG 15 1.594 1.246 6.368 112 2HB ARG 15 2HB ARG 15 3.064 0.290 6.613 113 1HG ARG 15 1HG ARG 15 2.368 0.270 8.754 114 2HG ARG 15 2HG ARG 15 3.177 1.846 8.796 115 1HD ARG 15 1HD ARG 15 0.930 1.948 9.795 116 2HD ARG 15 2HD ARG 15 1.072 2.973 8.359 117 HE ARG 15 HE ARG 15 -0.456 1.638 7.276 118 1HH1 ARG 15 1HH1 ARG 15 0.593 0.085 10.211 119 2HH1 ARG 15 2HH1 ARG 15 -0.613 -1.156 10.139 120 1HH2 ARG 15 1HH2 ARG 15 -2.049 0.009 7.170 121 2HH2 ARG 15 2HH2 ARG 15 -2.114 -1.200 8.408 122 H SER 16 H SER 16 4.465 3.511 8.300 123 HA SER 16 HA SER 16 2.367 5.288 8.985 124 1HB SER 16 1HB SER 16 3.728 4.811 10.801 125 2HB SER 16 2HB SER 16 5.214 4.935 9.844 126 HG SER 16 HG SER 16 3.792 6.902 11.154 127 H ALA 17 H ALA 17 5.443 5.739 7.279 128 HA ALA 17 HA ALA 17 5.083 8.538 6.872 129 1HB ALA 17 1HB ALA 17 7.009 8.393 5.416 130 2HB ALA 17 2HB ALA 17 7.296 7.456 6.882 131 3HB ALA 17 3HB ALA 17 6.881 6.634 5.378 132 H PHE 18 H PHE 18 4.291 5.651 5.041 133 HA PHE 18 HA PHE 18 3.596 7.056 2.643 134 1HB PHE 18 1HB PHE 18 3.686 4.279 3.564 135 2HB PHE 18 2HB PHE 18 2.303 4.611 2.520 136 HD1 PHE 18 HD1 PHE 18 5.714 6.074 2.386 137 HD2 PHE 18 HD2 PHE 18 2.818 3.589 0.503 138 HE1 PHE 18 HE1 PHE 18 7.152 5.912 0.395 139 HE2 PHE 18 HE2 PHE 18 4.252 3.422 -1.490 140 HZ PHE 18 HZ PHE 18 6.422 4.584 -1.545 141 H ALA 19 H ALA 19 1.872 5.868 5.464 142 HA ALA 19 HA ALA 19 -0.753 6.113 4.550 143 1HB ALA 19 1HB ALA 19 -1.385 6.274 6.912 144 2HB ALA 19 2HB ALA 19 -0.192 5.003 6.639 145 3HB ALA 19 3HB ALA 19 0.305 6.541 7.342 146 H ASN 20 H ASN 20 1.568 8.531 5.284 147 HA ASN 20 HA ASN 20 -0.090 10.664 6.034 148 1HB ASN 20 1HB ASN 20 2.630 10.453 4.781 149 2HB ASN 20 2HB ASN 20 1.846 12.034 4.901 150 1HD2 ASN 20 1HD2 ASN 20 1.787 9.291 7.130 151 2HD2 ASN 20 2HD2 ASN 20 2.461 10.143 8.472 152 H LEU 21 H LEU 21 0.287 9.075 3.036 153 HA LEU 21 HA LEU 21 -0.873 11.322 1.552 154 1HB LEU 21 1HB LEU 21 0.853 9.057 0.886 155 2HB LEU 21 2HB LEU 21 -0.481 9.287 -0.256 156 HG LEU 21 HG LEU 21 0.285 11.421 -0.891 157 1HD1 LEU 21 1HD1 LEU 21 0.755 12.321 1.312 158 2HD1 LEU 21 2HD1 LEU 21 2.131 12.577 0.240 159 3HD1 LEU 21 3HD1 LEU 21 2.184 11.294 1.449 160 1HD2 LEU 21 1HD2 LEU 21 1.995 9.165 -1.013 161 2HD2 LEU 21 2HD2 LEU 21 3.003 10.591 -0.769 162 3HD2 LEU 21 3HD2 LEU 21 1.886 10.522 -2.133 163 HA PRO 22 HA PRO 22 -4.880 9.560 1.254 164 1HB PRO 22 1HB PRO 22 -5.592 10.138 -1.327 165 2HB PRO 22 2HB PRO 22 -5.469 11.354 -0.057 166 1HG PRO 22 1HG PRO 22 -3.470 10.592 -2.159 167 2HG PRO 22 2HG PRO 22 -3.990 12.234 -1.621 168 1HD PRO 22 1HD PRO 22 -1.664 11.094 -0.807 169 2HD PRO 22 2HD PRO 22 -2.618 12.170 0.229 170 H LEU 23 H LEU 23 -6.167 7.877 0.300 171 HA LEU 23 HA LEU 23 -4.724 5.552 -0.335 172 1HB LEU 23 1HB LEU 23 -7.556 6.346 -0.138 173 2HB LEU 23 2HB LEU 23 -7.226 4.978 -1.216 174 HG LEU 23 HG LEU 23 -7.859 4.261 1.046 175 1HD1 LEU 23 1HD1 LEU 23 -4.978 3.553 0.788 176 2HD1 LEU 23 2HD1 LEU 23 -6.086 3.116 -0.512 177 3HD1 LEU 23 3HD1 LEU 23 -6.370 2.523 1.125 178 1HD2 LEU 23 1HD2 LEU 23 -5.277 5.071 2.209 179 2HD2 LEU 23 2HD2 LEU 23 -6.878 4.980 2.943 180 3HD2 LEU 23 3HD2 LEU 23 -6.441 6.371 1.950 181 H TRP 24 H TRP 24 -5.844 8.135 -2.290 182 HA TRP 24 HA TRP 24 -6.258 6.921 -4.751 183 1HB TRP 24 1HB TRP 24 -5.915 9.570 -3.764 184 2HB TRP 24 2HB TRP 24 -4.847 9.381 -5.156 185 HD1 TRP 24 HD1 TRP 24 -8.478 9.802 -4.268 186 HE1 TRP 24 HE1 TRP 24 -9.886 9.893 -6.421 187 HE3 TRP 24 HE3 TRP 24 -4.911 8.361 -7.634 188 HZ2 TRP 24 HZ2 TRP 24 -9.533 9.416 -9.180 189 HZ3 TRP 24 HZ3 TRP 24 -5.526 8.202 -10.011 190 HH2 TRP 24 HH2 TRP 24 -7.791 8.718 -10.767 191 H LYS 25 H LYS 25 -3.232 7.952 -3.235 192 HA LYS 25 HA LYS 25 -1.586 7.297 -5.464 193 1HB LYS 25 1HB LYS 25 -1.117 8.846 -3.417 194 2HB LYS 25 2HB LYS 25 -0.576 7.350 -2.641 195 1HG LYS 25 1HG LYS 25 0.502 8.126 -5.327 196 2HG LYS 25 2HG LYS 25 1.149 8.853 -3.845 197 1HD LYS 25 1HD LYS 25 0.945 6.036 -3.434 198 2HD LYS 25 2HD LYS 25 1.759 6.323 -4.982 199 1HE LYS 25 1HE LYS 25 2.642 8.036 -2.736 200 2HE LYS 25 2HE LYS 25 3.020 6.313 -2.593 201 1HZ LYS 25 1HZ LYS 25 3.757 8.079 -4.865 202 2HZ LYS 25 2HZ LYS 25 4.072 6.419 -4.787 203 3HZ LYS 25 3HZ LYS 25 4.810 7.472 -3.687 204 H GLN 26 H GLN 26 -2.939 5.491 -2.842 205 HA GLN 26 HA GLN 26 -1.112 3.312 -2.899 206 1HB GLN 26 1HB GLN 26 -2.932 4.047 -1.122 207 2HB GLN 26 2HB GLN 26 -3.947 2.931 -2.049 208 1HG GLN 26 1HG GLN 26 -2.560 1.084 -1.567 209 2HG GLN 26 2HG GLN 26 -1.271 2.130 -0.956 210 1HE2 GLN 26 1HE2 GLN 26 -2.143 3.647 0.871 211 2HE2 GLN 26 2HE2 GLN 26 -3.009 2.831 2.123 212 H GLN 27 H GLN 27 -3.837 4.220 -4.819 213 HA GLN 27 HA GLN 27 -4.624 1.727 -5.817 214 1HB GLN 27 1HB GLN 27 -5.238 4.444 -6.300 215 2HB GLN 27 2HB GLN 27 -4.805 3.733 -7.865 216 1HG GLN 27 1HG GLN 27 -6.463 1.970 -7.549 217 2HG GLN 27 2HG GLN 27 -6.889 2.659 -5.976 218 1HE2 GLN 27 1HE2 GLN 27 -8.329 4.272 -5.873 219 2HE2 GLN 27 2HE2 GLN 27 -9.056 5.033 -7.241 220 H ASN 28 H ASN 28 -1.947 3.813 -6.652 221 HA ASN 28 HA ASN 28 -1.278 2.360 -9.050 222 1HB ASN 28 1HB ASN 28 -0.801 4.791 -8.764 223 2HB ASN 28 2HB ASN 28 0.384 4.373 -7.520 224 1HD2 ASN 28 1HD2 ASN 28 1.712 5.639 -9.109 225 2HD2 ASN 28 2HD2 ASN 28 2.512 4.742 -10.350 226 H LEU 29 H LEU 29 -0.008 2.600 -5.750 227 HA LEU 29 HA LEU 29 2.241 1.003 -6.004 228 1HB LEU 29 1HB LEU 29 0.882 2.249 -3.937 229 2HB LEU 29 2HB LEU 29 0.808 0.527 -3.519 230 HG LEU 29 HG LEU 29 3.226 2.283 -3.803 231 1HD1 LEU 29 1HD1 LEU 29 2.337 0.393 -1.631 232 2HD1 LEU 29 2HD1 LEU 29 2.067 2.136 -1.626 233 3HD1 LEU 29 3HD1 LEU 29 3.710 1.498 -1.578 234 1HD2 LEU 29 1HD2 LEU 29 4.349 -0.065 -3.256 235 2HD2 LEU 29 2HD2 LEU 29 4.134 0.517 -4.907 236 3HD2 LEU 29 3HD2 LEU 29 2.992 -0.642 -4.224 237 H LYS 30 H LYS 30 -1.109 0.050 -5.356 238 HA LYS 30 HA LYS 30 -0.674 -2.681 -4.950 239 1HB LYS 30 1HB LYS 30 -2.795 -1.615 -4.418 240 2HB LYS 30 2HB LYS 30 -3.073 -1.272 -6.133 241 1HG LYS 30 1HG LYS 30 -3.419 -3.543 -6.655 242 2HG LYS 30 2HG LYS 30 -2.757 -4.072 -5.098 243 1HD LYS 30 1HD LYS 30 -5.066 -4.301 -4.815 244 2HD LYS 30 2HD LYS 30 -4.696 -2.747 -4.047 245 1HE LYS 30 1HE LYS 30 -6.425 -2.006 -5.304 246 2HE LYS 30 2HE LYS 30 -5.183 -1.915 -6.561 247 1HZ LYS 30 1HZ LYS 30 -7.252 -3.984 -6.172 248 2HZ LYS 30 2HZ LYS 30 -5.858 -4.311 -7.074 249 3HZ LYS 30 3HZ LYS 30 -6.908 -3.076 -7.558 250 H LYS 31 H LYS 31 -0.979 -0.806 -7.898 251 HA LYS 31 HA LYS 31 -1.120 -3.109 -9.614 252 1HB LYS 31 1HB LYS 31 -2.120 -0.875 -10.163 253 2HB LYS 31 2HB LYS 31 -0.475 -0.254 -10.366 254 1HG LYS 31 1HG LYS 31 -0.172 -1.269 -12.361 255 2HG LYS 31 2HG LYS 31 -1.145 -2.679 -11.904 256 1HD LYS 31 1HD LYS 31 -3.182 -1.566 -12.353 257 2HD LYS 31 2HD LYS 31 -2.380 0.013 -12.422 258 1HE LYS 31 1HE LYS 31 -1.833 -2.231 -14.374 259 2HE LYS 31 2HE LYS 31 -3.018 -0.946 -14.649 260 1HZ LYS 31 1HZ LYS 31 -0.103 -0.815 -14.678 261 2HZ LYS 31 2HZ LYS 31 -0.924 0.536 -14.077 262 3HZ LYS 31 3HZ LYS 31 -1.232 -0.011 -15.649 263 H GLU 32 H GLU 32 1.376 -1.145 -8.231 264 HA GLU 32 HA GLU 32 3.465 -1.612 -10.029 265 1HB GLU 32 1HB GLU 32 3.550 0.026 -8.180 266 2HB GLU 32 2HB GLU 32 3.647 -1.313 -7.026 267 1HG GLU 32 1HG GLU 32 5.799 -1.912 -7.689 268 2HG GLU 32 2HG GLU 32 5.667 -1.022 -9.213 269 HE2 GLU 32 HE2 GLU 32 5.819 1.777 -6.572 270 H LYS 33 H LYS 33 2.187 -3.579 -7.413 271 HA LYS 33 HA LYS 33 3.857 -5.805 -8.358 272 1HB LYS 33 1HB LYS 33 3.276 -5.159 -5.457 273 2HB LYS 33 2HB LYS 33 4.182 -6.559 -6.049 274 1HG LYS 33 1HG LYS 33 6.031 -5.298 -6.643 275 2HG LYS 33 2HG LYS 33 5.092 -3.798 -6.733 276 1HD LYS 33 1HD LYS 33 5.315 -3.363 -4.531 277 2HD LYS 33 2HD LYS 33 5.112 -5.065 -4.083 278 1HE LYS 33 1HE LYS 33 7.506 -5.301 -5.186 279 2HE LYS 33 2HE LYS 33 7.588 -3.574 -4.806 280 1HZ LYS 33 1HZ LYS 33 7.824 -5.806 -3.061 281 2HZ LYS 33 2HZ LYS 33 6.607 -4.758 -2.531 282 3HZ LYS 33 3HZ LYS 33 8.178 -4.178 -2.769 283 H LEU 34 H LEU 34 1.252 -5.193 -5.995 284 HA LEU 34 HA LEU 34 0.022 -7.682 -6.234 285 1HB LEU 34 1HB LEU 34 -0.578 -5.105 -5.042 286 2HB LEU 34 2HB LEU 34 -2.032 -5.889 -5.683 287 HG LEU 34 HG LEU 34 -1.699 -6.371 -3.306 288 1HD1 LEU 34 1HD1 LEU 34 -2.908 -8.017 -4.483 289 2HD1 LEU 34 2HD1 LEU 34 -1.726 -8.892 -3.511 290 3HD1 LEU 34 3HD1 LEU 34 -1.449 -8.661 -5.237 291 1HD2 LEU 34 1HD2 LEU 34 0.740 -6.247 -3.250 292 2HD2 LEU 34 2HD2 LEU 34 0.843 -7.725 -4.210 293 3HD2 LEU 34 3HD2 LEU 34 0.163 -7.776 -2.582 294 H LEU 35 H LEU 35 -2.472 -7.688 -6.929 295 HA LEU 35 HA LEU 35 -2.524 -6.774 -9.729 296 1HB LEU 35 1HB LEU 35 -2.952 -9.356 -8.544 297 2HB LEU 35 2HB LEU 35 -4.430 -8.813 -9.355 298 HG LEU 35 HG LEU 35 -2.528 -8.297 -11.251 299 1HD1 LEU 35 1HD1 LEU 35 -0.757 -9.361 -10.020 300 2HD1 LEU 35 2HD1 LEU 35 -1.185 -10.368 -11.403 301 3HD1 LEU 35 3HD1 LEU 35 -1.738 -10.810 -9.788 302 1HD2 LEU 35 1HD2 LEU 35 -4.077 -10.858 -10.876 303 2HD2 LEU 35 2HD2 LEU 35 -3.425 -10.242 -12.395 304 3HD2 LEU 35 3HD2 LEU 35 -4.714 -9.366 -11.569 305 H PHE 36 H PHE 36 -5.039 -6.999 -10.464 306 HA PHE 36 HA PHE 36 -6.331 -4.789 -9.350 307 1HB PHE 36 1HB PHE 36 -7.611 -7.057 -10.898 308 2HB PHE 36 2HB PHE 36 -8.255 -5.426 -10.704 309 HD1 PHE 36 HD2 PHE 36 -6.365 -3.550 -11.349 310 HD2 PHE 36 HD1 PHE 36 -6.722 -7.467 -12.975 311 HE1 PHE 36 HE2 PHE 36 -5.180 -2.813 -13.376 312 HE2 PHE 36 HE1 PHE 36 -5.535 -6.737 -15.003 313 HZ PHE 36 HZ PHE 36 -4.764 -4.407 -15.206 Start of MODEL 7 1 1H MET 1 1H MET 1 -10.020 -7.276 2.782 2 2H MET 1 2H MET 1 -8.640 -6.428 3.122 3 3H MET 1 3H MET 1 -8.637 -7.564 1.918 4 HA MET 1 HA MET 1 -9.016 -8.066 4.758 5 1HB MET 1 1HB MET 1 -10.290 -9.613 3.354 6 2HB MET 1 2HB MET 1 -8.832 -9.973 2.419 7 1HG MET 1 1HG MET 1 -8.374 -10.399 5.242 8 2HG MET 1 2HG MET 1 -9.768 -11.317 4.665 9 1HE MET 1 1HE MET 1 -8.549 -13.488 1.908 10 2HE MET 1 2HE MET 1 -9.106 -14.006 3.499 11 3HE MET 1 3HE MET 1 -9.868 -12.628 2.702 12 H LEU 2 H LEU 2 -7.083 -7.122 5.392 13 HA LEU 2 HA LEU 2 -4.744 -8.724 4.997 14 1HB LEU 2 1HB LEU 2 -4.965 -7.055 2.998 15 2HB LEU 2 2HB LEU 2 -4.400 -5.868 4.187 16 HG LEU 2 HG LEU 2 -2.409 -7.429 4.549 17 1HD1 LEU 2 1HD1 LEU 2 -3.164 -8.463 1.833 18 2HD1 LEU 2 2HD1 LEU 2 -3.572 -9.324 3.316 19 3HD1 LEU 2 3HD1 LEU 2 -1.883 -9.023 2.909 20 1HD2 LEU 2 1HD2 LEU 2 -2.726 -6.097 1.861 21 2HD2 LEU 2 2HD2 LEU 2 -1.207 -6.471 2.675 22 3HD2 LEU 2 3HD2 LEU 2 -2.305 -5.275 3.364 23 H SER 3 H SER 3 -3.827 -8.808 6.929 24 HA SER 3 HA SER 3 -4.537 -7.171 9.085 25 1HB SER 3 1HB SER 3 -2.028 -8.192 9.746 26 2HB SER 3 2HB SER 3 -3.594 -8.959 10.064 27 HG SER 3 HG SER 3 -3.375 -10.197 8.274 28 H ASP 4 H ASP 4 -3.061 -5.800 10.371 29 HA ASP 4 HA ASP 4 -2.058 -3.667 8.826 30 1HB ASP 4 1HB ASP 4 -1.163 -2.810 11.000 31 2HB ASP 4 2HB ASP 4 -2.876 -3.246 11.051 32 HD2 ASP 4 HD2 ASP 4 -0.346 -5.258 13.301 33 H GLU 5 H GLU 5 -0.482 -6.378 10.440 34 HA GLU 5 HA GLU 5 2.177 -5.478 9.969 35 1HB GLU 5 1HB GLU 5 0.947 -8.101 10.770 36 2HB GLU 5 2HB GLU 5 2.670 -7.996 10.381 37 1HG GLU 5 1HG GLU 5 1.651 -5.985 12.290 38 2HG GLU 5 2HG GLU 5 1.678 -7.663 12.850 39 HE2 GLU 5 HE2 GLU 5 5.190 -5.987 12.021 40 H ASP 6 H ASP 6 -0.071 -7.545 8.222 41 HA ASP 6 HA ASP 6 1.823 -8.430 6.278 42 1HB ASP 6 1HB ASP 6 -0.445 -9.493 6.951 43 2HB ASP 6 2HB ASP 6 -1.147 -8.332 5.817 44 HD2 ASP 6 HD2 ASP 6 0.500 -9.946 3.103 45 H PHE 7 H PHE 7 -0.139 -5.611 6.658 46 HA PHE 7 HA PHE 7 -0.315 -4.780 3.977 47 1HB PHE 7 1HB PHE 7 -1.629 -3.828 5.874 48 2HB PHE 7 2HB PHE 7 -0.162 -3.022 6.433 49 HD1 PHE 7 HD1 PHE 7 0.865 -1.218 5.110 50 HD2 PHE 7 HD2 PHE 7 -2.863 -2.960 4.021 51 HE1 PHE 7 HE1 PHE 7 0.401 0.702 3.642 52 HE2 PHE 7 HE2 PHE 7 -3.332 -1.044 2.551 53 HZ PHE 7 HZ PHE 7 -1.699 0.789 2.359 54 H LYS 8 H LYS 8 2.083 -4.063 6.493 55 HA LYS 8 HA LYS 8 3.681 -2.378 4.860 56 1HB LYS 8 1HB LYS 8 3.725 -2.328 7.331 57 2HB LYS 8 2HB LYS 8 4.467 -3.936 7.331 58 1HG LYS 8 1HG LYS 8 6.476 -3.138 6.395 59 2HG LYS 8 2HG LYS 8 5.732 -1.594 5.943 60 1HD LYS 8 1HD LYS 8 5.750 -0.782 8.115 61 2HD LYS 8 2HD LYS 8 5.828 -2.405 8.820 62 1HE LYS 8 1HE LYS 8 8.074 -1.140 7.234 63 2HE LYS 8 2HE LYS 8 7.950 -1.096 8.998 64 1HZ LYS 8 1HZ LYS 8 7.989 -3.524 9.016 65 2HZ LYS 8 2HZ LYS 8 9.381 -2.891 8.295 66 3HZ LYS 8 3HZ LYS 8 8.154 -3.547 7.333 67 H ALA 9 H ALA 9 3.325 -5.771 5.074 68 HA ALA 9 HA ALA 9 5.930 -6.517 4.180 69 1HB ALA 9 1HB ALA 9 3.341 -8.061 4.056 70 2HB ALA 9 2HB ALA 9 4.959 -8.727 3.825 71 3HB ALA 9 3HB ALA 9 4.490 -8.073 5.394 72 H VAL 10 H VAL 10 2.800 -6.077 2.565 73 HA VAL 10 HA VAL 10 3.875 -6.694 -0.032 74 HB VAL 10 HB VAL 10 1.207 -5.659 0.899 75 1HG1 VAL 10 1HG1 VAL 10 2.147 -6.061 -1.937 76 2HG1 VAL 10 2HG1 VAL 10 0.459 -5.867 -1.462 77 3HG1 VAL 10 3HG1 VAL 10 1.608 -4.555 -1.196 78 1HG2 VAL 10 1HG2 VAL 10 1.938 -8.104 1.110 79 2HG2 VAL 10 2HG2 VAL 10 0.386 -7.780 0.339 80 3HG2 VAL 10 3HG2 VAL 10 1.797 -8.165 -0.647 81 H PHE 11 H PHE 11 3.029 -3.785 1.770 82 HA PHE 11 HA PHE 11 3.265 -1.919 -0.299 83 1HB PHE 11 1HB PHE 11 3.042 -1.886 2.580 84 2HB PHE 11 2HB PHE 11 4.209 -0.674 2.046 85 HD1 PHE 11 HD1 PHE 11 1.147 -1.823 0.292 86 HD2 PHE 11 HD2 PHE 11 3.101 1.347 2.355 87 HE1 PHE 11 HE1 PHE 11 -0.685 -0.299 -0.323 88 HE2 PHE 11 HE2 PHE 11 1.271 2.876 1.745 89 HZ PHE 11 HZ PHE 11 -0.624 2.054 0.404 90 H GLY 12 H GLY 12 5.702 -3.220 1.922 91 1HA GLY 12 1HA GLY 12 7.967 -3.552 1.388 92 2HA GLY 12 2HA GLY 12 7.775 -2.484 0.006 93 H MET 13 H MET 13 6.436 -0.447 1.734 94 HA MET 13 HA MET 13 8.839 0.527 3.134 95 1HB MET 13 1HB MET 13 8.151 1.701 0.956 96 2HB MET 13 2HB MET 13 6.776 2.326 1.880 97 1HG MET 13 1HG MET 13 8.483 3.995 1.874 98 2HG MET 13 2HG MET 13 8.368 3.312 3.499 99 1HE MET 13 1HE MET 13 11.383 2.066 0.368 100 2HE MET 13 2HE MET 13 9.844 2.896 0.142 101 3HE MET 13 3HE MET 13 11.295 3.820 0.531 102 H THR 14 H THR 14 8.431 2.000 4.928 103 HA THR 14 HA THR 14 6.743 1.013 6.850 104 HB THR 14 HB THR 14 7.077 3.924 7.044 105 HG1 THR 14 HG1 THR 14 9.457 3.475 7.390 106 1HG2 THR 14 1HG2 THR 14 7.639 1.495 8.697 107 2HG2 THR 14 2HG2 THR 14 6.620 2.887 9.064 108 3HG2 THR 14 3HG2 THR 14 8.375 3.038 9.125 109 H ARG 15 H ARG 15 4.622 0.680 6.513 110 HA ARG 15 HA ARG 15 2.898 2.147 4.924 111 1HB ARG 15 1HB ARG 15 1.146 0.934 5.866 112 2HB ARG 15 2HB ARG 15 2.546 -0.122 6.107 113 1HG ARG 15 1HG ARG 15 2.664 0.324 8.395 114 2HG ARG 15 2HG ARG 15 1.661 1.777 8.244 115 1HD ARG 15 1HD ARG 15 0.749 -1.089 7.907 116 2HD ARG 15 2HD ARG 15 0.372 -0.004 9.253 117 HE ARG 15 HE ARG 15 -0.481 1.201 6.870 118 1HH1 ARG 15 1HH1 ARG 15 -1.250 -1.506 8.919 119 2HH1 ARG 15 2HH1 ARG 15 -2.927 -1.525 8.486 120 1HH2 ARG 15 1HH2 ARG 15 -2.689 1.187 6.293 121 2HH2 ARG 15 2HH2 ARG 15 -3.744 0.007 6.992 122 H SER 16 H SER 16 4.115 2.864 8.077 123 HA SER 16 HA SER 16 2.098 4.680 8.900 124 1HB SER 16 1HB SER 16 3.867 3.565 10.364 125 2HB SER 16 2HB SER 16 4.996 4.782 9.744 126 HG SER 16 HG SER 16 2.535 5.602 10.824 127 H ALA 17 H ALA 17 5.223 5.118 7.280 128 HA ALA 17 HA ALA 17 5.002 7.957 7.111 129 1HB ALA 17 1HB ALA 17 7.161 6.773 7.071 130 2HB ALA 17 2HB ALA 17 6.746 6.104 5.493 131 3HB ALA 17 3HB ALA 17 6.953 7.844 5.685 132 H PHE 18 H PHE 18 4.126 5.276 5.021 133 HA PHE 18 HA PHE 18 3.548 6.913 2.742 134 1HB PHE 18 1HB PHE 18 3.492 4.067 3.422 135 2HB PHE 18 2HB PHE 18 2.151 4.550 2.382 136 HD1 PHE 18 HD1 PHE 18 5.627 5.859 2.443 137 HD2 PHE 18 HD2 PHE 18 2.668 3.679 0.296 138 HE1 PHE 18 HE1 PHE 18 7.103 5.801 0.476 139 HE2 PHE 18 HE2 PHE 18 4.140 3.616 -1.675 140 HZ PHE 18 HZ PHE 18 6.361 4.677 -1.587 141 H ALA 19 H ALA 19 1.709 5.571 5.417 142 HA ALA 19 HA ALA 19 -0.880 6.013 4.478 143 1HB ALA 19 1HB ALA 19 -0.426 4.705 6.471 144 2HB ALA 19 2HB ALA 19 0.138 6.148 7.314 145 3HB ALA 19 3HB ALA 19 -1.555 6.009 6.838 146 H ASN 20 H ASN 20 1.528 8.251 5.460 147 HA ASN 20 HA ASN 20 -0.051 10.387 6.357 148 1HB ASN 20 1HB ASN 20 2.684 10.156 5.144 149 2HB ASN 20 2HB ASN 20 1.970 11.756 5.380 150 1HD2 ASN 20 1HD2 ASN 20 1.738 8.842 7.369 151 2HD2 ASN 20 2HD2 ASN 20 2.416 9.548 8.793 152 H LEU 21 H LEU 21 0.324 9.041 3.241 153 HA LEU 21 HA LEU 21 -0.703 11.457 1.934 154 1HB LEU 21 1HB LEU 21 0.941 9.181 1.111 155 2HB LEU 21 2HB LEU 21 -0.354 9.569 -0.036 156 HG LEU 21 HG LEU 21 0.518 11.710 -0.468 157 1HD1 LEU 21 1HD1 LEU 21 0.969 12.402 1.811 158 2HD1 LEU 21 2HD1 LEU 21 2.385 12.683 0.797 159 3HD1 LEU 21 3HD1 LEU 21 2.346 11.304 1.895 160 1HD2 LEU 21 1HD2 LEU 21 2.234 10.992 -1.691 161 2HD2 LEU 21 2HD2 LEU 21 2.022 9.428 -0.903 162 3HD2 LEU 21 3HD2 LEU 21 3.184 10.590 -0.261 163 HA PRO 22 HA PRO 22 -4.771 9.904 1.404 164 1HB PRO 22 1HB PRO 22 -5.396 10.730 -1.131 165 2HB PRO 22 2HB PRO 22 -5.253 11.827 0.241 166 1HG PRO 22 1HG PRO 22 -3.238 11.160 -1.879 167 2HG PRO 22 2HG PRO 22 -3.702 12.770 -1.212 168 1HD PRO 22 1HD PRO 22 -1.446 11.465 -0.451 169 2HD PRO 22 2HD PRO 22 -2.378 12.489 0.654 170 H LEU 23 H LEU 23 -6.109 8.372 0.275 171 HA LEU 23 HA LEU 23 -4.732 6.054 -0.546 172 1HB LEU 23 1HB LEU 23 -7.632 6.865 -0.753 173 2HB LEU 23 2HB LEU 23 -7.030 5.269 -1.233 174 HG LEU 23 HG LEU 23 -6.178 5.866 1.446 175 1HD1 LEU 23 1HD1 LEU 23 -8.089 6.363 2.577 176 2HD1 LEU 23 2HD1 LEU 23 -9.137 5.663 1.344 177 3HD1 LEU 23 3HD1 LEU 23 -8.407 7.247 1.083 178 1HD2 LEU 23 1HD2 LEU 23 -8.146 3.814 0.448 179 2HD2 LEU 23 2HD2 LEU 23 -7.161 3.739 1.909 180 3HD2 LEU 23 3HD2 LEU 23 -6.395 3.643 0.322 181 H TRP 24 H TRP 24 -5.655 8.853 -2.248 182 HA TRP 24 HA TRP 24 -6.183 7.920 -4.807 183 1HB TRP 24 1HB TRP 24 -4.886 10.438 -3.778 184 2HB TRP 24 2HB TRP 24 -5.052 10.150 -5.511 185 HD1 TRP 24 HD1 TRP 24 -7.297 10.514 -2.383 186 HE1 TRP 24 HE1 TRP 24 -9.597 11.379 -3.148 187 HE3 TRP 24 HE3 TRP 24 -6.560 10.415 -7.441 188 HZ2 TRP 24 HZ2 TRP 24 -10.924 11.944 -5.575 189 HZ3 TRP 24 HZ3 TRP 24 -8.395 11.133 -8.915 190 HH2 TRP 24 HH2 TRP 24 -10.531 11.881 -7.999 191 H LYS 25 H LYS 25 -3.072 8.521 -3.233 192 HA LYS 25 HA LYS 25 -1.508 7.907 -5.539 193 1HB LYS 25 1HB LYS 25 -0.975 9.166 -3.215 194 2HB LYS 25 2HB LYS 25 -0.309 7.566 -2.851 195 1HG LYS 25 1HG LYS 25 0.421 8.946 -5.407 196 2HG LYS 25 2HG LYS 25 1.219 9.382 -3.886 197 1HD LYS 25 1HD LYS 25 1.238 6.590 -3.910 198 2HD LYS 25 2HD LYS 25 1.615 7.067 -5.576 199 1HE LYS 25 1HE LYS 25 3.025 8.130 -3.116 200 2HE LYS 25 2HE LYS 25 3.626 6.826 -4.149 201 1HZ LYS 25 1HZ LYS 25 4.269 8.256 -5.731 202 2HZ LYS 25 2HZ LYS 25 4.232 9.405 -4.490 203 3HZ LYS 25 3HZ LYS 25 2.919 9.259 -5.548 204 H GLN 26 H GLN 26 -3.003 6.040 -3.047 205 HA GLN 26 HA GLN 26 -1.374 3.733 -3.193 206 1HB GLN 26 1HB GLN 26 -3.639 4.571 -1.740 207 2HB GLN 26 2HB GLN 26 -4.110 3.081 -2.574 208 1HG GLN 26 1HG GLN 26 -2.926 1.810 -1.193 209 2HG GLN 26 2HG GLN 26 -1.494 2.833 -1.378 210 1HE2 GLN 26 1HE2 GLN 26 -4.615 2.685 0.273 211 2HE2 GLN 26 2HE2 GLN 26 -4.098 3.507 1.702 212 H GLN 27 H GLN 27 -3.846 4.994 -5.235 213 HA GLN 27 HA GLN 27 -4.770 2.655 -6.462 214 1HB GLN 27 1HB GLN 27 -4.507 5.496 -7.442 215 2HB GLN 27 2HB GLN 27 -5.216 4.216 -8.439 216 1HG GLN 27 1HG GLN 27 -6.291 4.553 -5.693 217 2HG GLN 27 2HG GLN 27 -6.678 5.798 -6.889 218 1HE2 GLN 27 1HE2 GLN 27 -8.712 5.433 -7.453 219 2HE2 GLN 27 2HE2 GLN 27 -9.349 3.923 -7.997 220 H ASN 28 H ASN 28 -1.875 4.558 -6.991 221 HA ASN 28 HA ASN 28 -1.138 3.124 -9.385 222 1HB ASN 28 1HB ASN 28 -0.557 5.575 -8.748 223 2HB ASN 28 2HB ASN 28 0.733 4.848 -7.783 224 1HD2 ASN 28 1HD2 ASN 28 2.582 5.058 -8.807 225 2HD2 ASN 28 2HD2 ASN 28 2.852 4.769 -10.489 226 H LEU 29 H LEU 29 -0.082 3.224 -6.003 227 HA LEU 29 HA LEU 29 2.079 1.497 -6.144 228 1HB LEU 29 1HB LEU 29 0.663 2.786 -4.143 229 2HB LEU 29 2HB LEU 29 0.456 1.065 -3.771 230 HG LEU 29 HG LEU 29 2.990 2.672 -3.854 231 1HD1 LEU 29 1HD1 LEU 29 1.842 0.801 -1.789 232 2HD1 LEU 29 2HD1 LEU 29 1.682 2.557 -1.763 233 3HD1 LEU 29 3HD1 LEU 29 3.275 1.816 -1.620 234 1HD2 LEU 29 1HD2 LEU 29 2.606 -0.224 -4.358 235 2HD2 LEU 29 2HD2 LEU 29 3.926 0.246 -3.287 236 3HD2 LEU 29 3HD2 LEU 29 3.862 0.873 -4.935 237 H LYS 30 H LYS 30 -1.357 0.739 -5.730 238 HA LYS 30 HA LYS 30 -1.101 -2.026 -5.373 239 1HB LYS 30 1HB LYS 30 -3.170 -0.654 -4.994 240 2HB LYS 30 2HB LYS 30 -3.387 -0.611 -6.751 241 1HG LYS 30 1HG LYS 30 -4.044 -2.785 -6.882 242 2HG LYS 30 2HG LYS 30 -3.069 -3.270 -5.482 243 1HD LYS 30 1HD LYS 30 -4.769 -2.966 -4.058 244 2HD LYS 30 2HD LYS 30 -5.163 -1.388 -4.761 245 1HE LYS 30 1HE LYS 30 -6.134 -2.822 -6.731 246 2HE LYS 30 2HE LYS 30 -6.173 -4.100 -5.506 247 1HZ LYS 30 1HZ LYS 30 -7.315 -2.173 -4.131 248 2HZ LYS 30 2HZ LYS 30 -8.201 -3.195 -5.146 249 3HZ LYS 30 3HZ LYS 30 -7.754 -1.653 -5.680 250 H LYS 31 H LYS 31 -1.144 -0.054 -8.272 251 HA LYS 31 HA LYS 31 -1.345 -2.293 -10.066 252 1HB LYS 31 1HB LYS 31 -2.166 0.018 -10.591 253 2HB LYS 31 2HB LYS 31 -0.474 0.533 -10.690 254 1HG LYS 31 1HG LYS 31 -0.698 0.096 -12.876 255 2HG LYS 31 2HG LYS 31 -0.457 -1.587 -12.375 256 1HD LYS 31 1HD LYS 31 -3.217 -0.418 -12.347 257 2HD LYS 31 2HD LYS 31 -2.496 -0.949 -13.877 258 1HE LYS 31 1HE LYS 31 -3.097 -3.041 -13.404 259 2HE LYS 31 2HE LYS 31 -1.995 -2.999 -12.019 260 1HZ LYS 31 1HZ LYS 31 -3.893 -1.918 -10.774 261 2HZ LYS 31 2HZ LYS 31 -4.077 -3.558 -11.146 262 3HZ LYS 31 3HZ LYS 31 -4.890 -2.388 -12.058 263 H GLU 32 H GLU 32 1.201 -0.549 -8.493 264 HA GLU 32 HA GLU 32 3.326 -1.208 -10.232 265 1HB GLU 32 1HB GLU 32 3.398 0.555 -8.467 266 2HB GLU 32 2HB GLU 32 3.475 -0.731 -7.253 267 1HG GLU 32 1HG GLU 32 5.658 -1.028 -7.542 268 2HG GLU 32 2HG GLU 32 5.489 -1.065 -9.302 269 HE2 GLU 32 HE2 GLU 32 6.176 2.360 -9.561 270 H LYS 33 H LYS 33 1.991 -2.817 -7.379 271 HA LYS 33 HA LYS 33 3.367 -5.273 -8.210 272 1HB LYS 33 1HB LYS 33 3.293 -4.096 -5.426 273 2HB LYS 33 2HB LYS 33 3.724 -5.782 -5.757 274 1HG LYS 33 1HG LYS 33 5.556 -4.928 -7.254 275 2HG LYS 33 2HG LYS 33 5.196 -3.309 -6.628 276 1HD LYS 33 1HD LYS 33 6.036 -3.758 -4.548 277 2HD LYS 33 2HD LYS 33 5.636 -5.482 -4.650 278 1HE LYS 33 1HE LYS 33 7.471 -5.778 -6.303 279 2HE LYS 33 2HE LYS 33 7.898 -4.076 -6.068 280 1HZ LYS 33 1HZ LYS 33 8.240 -6.342 -4.240 281 2HZ LYS 33 2HZ LYS 33 7.990 -4.807 -3.575 282 3HZ LYS 33 3HZ LYS 33 9.307 -5.080 -4.602 283 H LEU 34 H LEU 34 2.240 -7.164 -7.870 284 HA LEU 34 HA LEU 34 -0.552 -7.044 -7.830 285 1HB LEU 34 1HB LEU 34 -0.476 -9.495 -7.554 286 2HB LEU 34 2HB LEU 34 0.594 -8.898 -8.834 287 HG LEU 34 HG LEU 34 2.188 -9.041 -6.533 288 1HD1 LEU 34 1HD1 LEU 34 0.812 -10.441 -5.304 289 2HD1 LEU 34 2HD1 LEU 34 1.875 -11.576 -6.136 290 3HD1 LEU 34 3HD1 LEU 34 0.238 -11.302 -6.733 291 1HD2 LEU 34 1HD2 LEU 34 1.959 -10.932 -8.872 292 2HD2 LEU 34 2HD2 LEU 34 3.342 -10.789 -7.788 293 3HD2 LEU 34 3HD2 LEU 34 2.897 -9.440 -8.835 294 H LEU 35 H LEU 35 -1.943 -6.757 -6.226 295 HA LEU 35 HA LEU 35 -1.029 -6.785 -3.484 296 1HB LEU 35 1HB LEU 35 -2.874 -5.304 -4.852 297 2HB LEU 35 2HB LEU 35 -3.901 -6.462 -3.986 298 HG LEU 35 HG LEU 35 -3.719 -4.433 -2.704 299 1HD1 LEU 35 1HD1 LEU 35 -1.994 -6.542 -1.420 300 2HD1 LEU 35 2HD1 LEU 35 -3.753 -6.619 -1.523 301 3HD1 LEU 35 3HD1 LEU 35 -2.980 -5.325 -0.607 302 1HD2 LEU 35 1HD2 LEU 35 -1.722 -3.448 -3.482 303 2HD2 LEU 35 2HD2 LEU 35 -0.757 -4.849 -3.016 304 3HD2 LEU 35 3HD2 LEU 35 -1.451 -3.802 -1.776 305 H PHE 36 H PHE 36 -0.965 -8.601 -2.351 306 HA PHE 36 HA PHE 36 -1.466 -10.659 -1.521 307 1HB PHE 36 1HB PHE 36 -3.570 -9.341 -0.950 308 2HB PHE 36 2HB PHE 36 -4.313 -10.103 -2.358 309 HD1 PHE 36 HD1 PHE 36 -2.593 -10.934 0.831 310 HD2 PHE 36 HD2 PHE 36 -5.333 -12.177 -2.182 311 HE1 PHE 36 HE1 PHE 36 -3.185 -12.902 2.185 312 HE2 PHE 36 HE2 PHE 36 -5.929 -14.146 -0.833 313 HZ PHE 36 HZ PHE 36 -4.855 -14.510 1.354 Start of MODEL 8 1 1H MET 1 1H MET 1 -8.259 -6.185 1.760 2 2H MET 1 2H MET 1 -6.618 -6.394 1.811 3 3H MET 1 3H MET 1 -7.617 -7.710 1.699 4 HA MET 1 HA MET 1 -7.442 -5.867 3.943 5 1HB MET 1 1HB MET 1 -8.883 -7.602 5.068 6 2HB MET 1 2HB MET 1 -9.682 -6.658 3.802 7 1HG MET 1 1HG MET 1 -8.436 -9.231 2.996 8 2HG MET 1 2HG MET 1 -9.903 -9.296 3.976 9 1HE MET 1 1HE MET 1 -12.229 -9.717 1.273 10 2HE MET 1 2HE MET 1 -10.724 -10.624 1.121 11 3HE MET 1 3HE MET 1 -11.407 -10.309 2.716 12 H LEU 2 H LEU 2 -5.929 -6.345 5.410 13 HA LEU 2 HA LEU 2 -4.968 -9.002 5.850 14 1HB LEU 2 1HB LEU 2 -2.745 -8.799 5.086 15 2HB LEU 2 2HB LEU 2 -3.787 -8.279 3.750 16 HG LEU 2 HG LEU 2 -2.442 -6.332 5.611 17 1HD1 LEU 2 1HD1 LEU 2 -1.402 -7.704 3.168 18 2HD1 LEU 2 2HD1 LEU 2 -0.586 -7.357 4.692 19 3HD1 LEU 2 3HD1 LEU 2 -0.903 -6.055 3.544 20 1HD2 LEU 2 1HD2 LEU 2 -3.940 -6.161 3.026 21 2HD2 LEU 2 2HD2 LEU 2 -2.741 -4.937 3.446 22 3HD2 LEU 2 3HD2 LEU 2 -4.132 -5.206 4.496 23 H SER 3 H SER 3 -3.196 -9.027 7.495 24 HA SER 3 HA SER 3 -3.875 -7.464 9.708 25 1HB SER 3 1HB SER 3 -1.116 -8.424 9.804 26 2HB SER 3 2HB SER 3 -2.507 -8.875 10.805 27 HG SER 3 HG SER 3 -1.472 -10.111 8.569 28 H ASP 4 H ASP 4 -2.549 -5.919 10.881 29 HA ASP 4 HA ASP 4 -1.709 -3.775 9.234 30 1HB ASP 4 1HB ASP 4 -0.951 -2.740 11.392 31 2HB ASP 4 2HB ASP 4 -2.635 -3.281 11.390 32 HD2 ASP 4 HD2 ASP 4 -0.229 -4.783 14.044 33 H GLU 5 H GLU 5 0.028 -6.248 11.052 34 HA GLU 5 HA GLU 5 2.617 -5.156 10.651 35 1HB GLU 5 1HB GLU 5 1.528 -7.798 11.539 36 2HB GLU 5 2HB GLU 5 3.239 -7.680 11.099 37 1HG GLU 5 1HG GLU 5 2.193 -5.627 12.963 38 2HG GLU 5 2HG GLU 5 2.349 -7.279 13.576 39 HE2 GLU 5 HE2 GLU 5 5.808 -5.856 12.280 40 H ASP 6 H ASP 6 0.597 -7.368 8.829 41 HA ASP 6 HA ASP 6 2.654 -8.158 7.001 42 1HB ASP 6 1HB ASP 6 0.530 -9.458 7.570 43 2HB ASP 6 2HB ASP 6 -0.317 -8.324 6.509 44 HD2 ASP 6 HD2 ASP 6 1.647 -11.262 4.879 45 H PHE 7 H PHE 7 0.448 -5.509 7.235 46 HA PHE 7 HA PHE 7 0.304 -4.745 4.537 47 1HB PHE 7 1HB PHE 7 -1.130 -3.856 6.384 48 2HB PHE 7 2HB PHE 7 0.256 -2.921 6.950 49 HD1 PHE 7 HD1 PHE 7 1.172 -1.081 5.594 50 HD2 PHE 7 HD2 PHE 7 -2.387 -3.135 4.485 51 HE1 PHE 7 HE1 PHE 7 0.593 0.756 4.061 52 HE2 PHE 7 HE2 PHE 7 -2.971 -1.303 2.950 53 HZ PHE 7 HZ PHE 7 -1.480 0.646 2.737 54 H LYS 8 H LYS 8 2.568 -3.804 7.103 55 HA LYS 8 HA LYS 8 4.085 -2.038 5.475 56 1HB LYS 8 1HB LYS 8 3.940 -2.263 8.079 57 2HB LYS 8 2HB LYS 8 5.247 -3.437 7.858 58 1HG LYS 8 1HG LYS 8 5.749 -0.976 6.402 59 2HG LYS 8 2HG LYS 8 5.519 -0.702 8.138 60 1HD LYS 8 1HD LYS 8 7.138 -2.772 8.360 61 2HD LYS 8 2HD LYS 8 7.622 -2.278 6.728 62 1HE LYS 8 1HE LYS 8 8.756 -0.495 7.479 63 2HE LYS 8 2HE LYS 8 7.436 -0.027 8.560 64 1HZ LYS 8 1HZ LYS 8 9.150 -0.529 10.003 65 2HZ LYS 8 2HZ LYS 8 9.692 -1.846 9.092 66 3HZ LYS 8 3HZ LYS 8 8.267 -1.973 9.993 67 H ALA 9 H ALA 9 3.983 -5.445 5.780 68 HA ALA 9 HA ALA 9 6.661 -6.008 4.974 69 1HB ALA 9 1HB ALA 9 5.876 -8.297 4.662 70 2HB ALA 9 2HB ALA 9 5.316 -7.638 6.201 71 3HB ALA 9 3HB ALA 9 4.206 -7.755 4.836 72 H VAL 10 H VAL 10 3.552 -5.850 3.271 73 HA VAL 10 HA VAL 10 4.735 -6.464 0.721 74 HB VAL 10 HB VAL 10 1.977 -5.595 1.554 75 1HG1 VAL 10 1HG1 VAL 10 1.307 -5.929 -0.814 76 2HG1 VAL 10 2HG1 VAL 10 2.358 -4.532 -0.570 77 3HG1 VAL 10 3HG1 VAL 10 3.016 -6.024 -1.243 78 1HG2 VAL 10 1HG2 VAL 10 1.323 -7.784 1.047 79 2HG2 VAL 10 2HG2 VAL 10 2.782 -8.100 0.109 80 3HG2 VAL 10 3HG2 VAL 10 2.874 -7.973 1.865 81 H PHE 11 H PHE 11 3.644 -3.572 2.413 82 HA PHE 11 HA PHE 11 3.794 -1.754 0.293 83 1HB PHE 11 1HB PHE 11 3.517 -1.653 3.170 84 2HB PHE 11 2HB PHE 11 4.594 -0.371 2.611 85 HD1 PHE 11 HD1 PHE 11 1.671 -1.805 0.835 86 HD2 PHE 11 HD2 PHE 11 3.314 1.559 2.859 87 HE1 PHE 11 HE1 PHE 11 -0.263 -0.450 0.145 88 HE2 PHE 11 HE2 PHE 11 1.382 2.920 2.174 89 HZ PHE 11 HZ PHE 11 -0.411 1.915 0.816 90 H GLY 12 H GLY 12 6.268 -2.843 2.581 91 1HA GLY 12 1HA GLY 12 8.560 -3.031 2.087 92 2HA GLY 12 2HA GLY 12 8.323 -1.984 0.695 93 H MET 13 H MET 13 6.837 -0.008 2.337 94 HA MET 13 HA MET 13 9.129 1.114 3.810 95 1HB MET 13 1HB MET 13 8.523 2.238 1.614 96 2HB MET 13 2HB MET 13 7.016 2.737 2.398 97 1HG MET 13 1HG MET 13 8.016 4.322 3.658 98 2HG MET 13 2HG MET 13 9.480 3.360 3.875 99 1HE MET 13 1HE MET 13 10.636 2.578 1.527 100 2HE MET 13 2HE MET 13 11.306 3.832 0.484 101 3HE MET 13 3HE MET 13 11.768 3.759 2.184 102 H THR 14 H THR 14 8.505 2.720 5.488 103 HA THR 14 HA THR 14 6.863 1.642 7.418 104 HB THR 14 HB THR 14 6.748 4.061 8.327 105 HG1 THR 14 HG1 THR 14 8.810 4.530 6.453 106 1HG2 THR 14 1HG2 THR 14 9.483 3.872 8.415 107 2HG2 THR 14 2HG2 THR 14 9.000 2.212 8.064 108 3HG2 THR 14 3HG2 THR 14 8.369 3.032 9.492 109 H ARG 15 H ARG 15 4.799 1.089 6.998 110 HA ARG 15 HA ARG 15 3.007 2.352 5.308 111 1HB ARG 15 1HB ARG 15 1.332 1.006 6.227 112 2HB ARG 15 2HB ARG 15 2.816 0.080 6.497 113 1HG ARG 15 1HG ARG 15 1.986 -0.136 8.577 114 2HG ARG 15 2HG ARG 15 2.727 1.457 8.798 115 1HD ARG 15 1HD ARG 15 0.430 1.429 9.649 116 2HD ARG 15 2HD ARG 15 0.603 2.537 8.282 117 HE ARG 15 HE ARG 15 -0.230 0.288 7.074 118 1HH1 ARG 15 1HH1 ARG 15 -1.402 2.023 9.855 119 2HH1 ARG 15 2HH1 ARG 15 -3.051 1.548 9.619 120 1HH2 ARG 15 1HH2 ARG 15 -2.397 -0.344 6.753 121 2HH2 ARG 15 2HH2 ARG 15 -3.616 0.201 7.855 122 H SER 16 H SER 16 3.981 3.199 8.525 123 HA SER 16 HA SER 16 1.777 4.844 9.204 124 1HB SER 16 1HB SER 16 4.559 4.456 10.225 125 2HB SER 16 2HB SER 16 3.696 5.927 10.704 126 HG SER 16 HG SER 16 3.470 3.659 11.864 127 H ALA 17 H ALA 17 4.943 5.546 7.762 128 HA ALA 17 HA ALA 17 4.469 8.351 7.532 129 1HB ALA 17 1HB ALA 17 6.481 6.656 6.058 130 2HB ALA 17 2HB ALA 17 6.513 8.411 6.245 131 3HB ALA 17 3HB ALA 17 6.728 7.370 7.652 132 H PHE 18 H PHE 18 3.960 5.573 5.456 133 HA PHE 18 HA PHE 18 3.409 7.103 3.099 134 1HB PHE 18 1HB PHE 18 3.516 4.278 3.859 135 2HB PHE 18 2HB PHE 18 2.217 4.635 2.720 136 HD1 PHE 18 HD1 PHE 18 5.526 6.287 2.928 137 HD2 PHE 18 HD2 PHE 18 2.985 3.666 0.741 138 HE1 PHE 18 HE1 PHE 18 7.134 6.290 1.065 139 HE2 PHE 18 HE2 PHE 18 4.588 3.663 -1.126 140 HZ PHE 18 HZ PHE 18 6.665 4.976 -0.965 141 H ALA 19 H ALA 19 1.502 5.692 5.689 142 HA ALA 19 HA ALA 19 -1.046 5.915 4.576 143 1HB ALA 19 1HB ALA 19 -1.873 5.913 6.883 144 2HB ALA 19 2HB ALA 19 -0.620 4.697 6.637 145 3HB ALA 19 3HB ALA 19 -0.235 6.205 7.466 146 H ASN 20 H ASN 20 1.121 8.352 5.640 147 HA ASN 20 HA ASN 20 -0.665 10.385 6.371 148 1HB ASN 20 1HB ASN 20 2.149 10.349 5.316 149 2HB ASN 20 2HB ASN 20 1.298 11.887 5.509 150 1HD2 ASN 20 1HD2 ASN 20 1.195 8.963 7.495 151 2HD2 ASN 20 2HD2 ASN 20 1.742 9.721 8.948 152 H LEU 21 H LEU 21 0.008 8.992 3.327 153 HA LEU 21 HA LEU 21 -1.096 11.290 1.883 154 1HB LEU 21 1HB LEU 21 0.738 9.105 1.236 155 2HB LEU 21 2HB LEU 21 -0.507 9.371 0.003 156 HG LEU 21 HG LEU 21 0.248 11.553 -0.449 157 1HD1 LEU 21 1HD1 LEU 21 0.518 12.335 1.831 158 2HD1 LEU 21 2HD1 LEU 21 1.966 12.687 0.888 159 3HD1 LEU 21 3HD1 LEU 21 1.960 11.338 2.024 160 1HD2 LEU 21 1HD2 LEU 21 2.012 10.829 -1.584 161 2HD2 LEU 21 2HD2 LEU 21 1.976 9.349 -0.627 162 3HD2 LEU 21 3HD2 LEU 21 2.969 10.712 -0.109 163 HA PRO 22 HA PRO 22 -5.018 9.458 1.165 164 1HB PRO 22 1HB PRO 22 -5.537 10.166 -1.429 165 2HB PRO 22 2HB PRO 22 -5.550 11.309 -0.087 166 1HG PRO 22 1HG PRO 22 -3.370 10.716 -2.060 167 2HG PRO 22 2HG PRO 22 -3.976 12.311 -1.477 168 1HD PRO 22 1HD PRO 22 -1.692 11.180 -0.541 169 2HD PRO 22 2HD PRO 22 -2.753 12.172 0.473 170 H LEU 23 H LEU 23 -6.178 7.800 0.029 171 HA LEU 23 HA LEU 23 -4.617 5.553 -0.626 172 1HB LEU 23 1HB LEU 23 -7.521 6.245 -0.825 173 2HB LEU 23 2HB LEU 23 -6.920 4.773 -1.606 174 HG LEU 23 HG LEU 23 -5.973 4.157 0.696 175 1HD1 LEU 23 1HD1 LEU 23 -7.900 6.341 1.469 176 2HD1 LEU 23 2HD1 LEU 23 -6.167 6.281 1.793 177 3HD1 LEU 23 3HD1 LEU 23 -7.251 5.137 2.583 178 1HD2 LEU 23 1HD2 LEU 23 -7.700 2.760 0.777 179 2HD2 LEU 23 2HD2 LEU 23 -8.406 3.673 -0.556 180 3HD2 LEU 23 3HD2 LEU 23 -8.832 4.072 1.109 181 H TRP 24 H TRP 24 -5.724 8.201 -2.516 182 HA TRP 24 HA TRP 24 -5.905 7.106 -5.059 183 1HB TRP 24 1HB TRP 24 -5.508 9.763 -3.906 184 2HB TRP 24 2HB TRP 24 -4.708 9.578 -5.468 185 HD1 TRP 24 HD1 TRP 24 -8.115 10.029 -3.942 186 HE1 TRP 24 HE1 TRP 24 -9.886 10.149 -5.806 187 HE3 TRP 24 HE3 TRP 24 -5.226 8.574 -7.901 188 HZ2 TRP 24 HZ2 TRP 24 -10.039 9.689 -8.587 189 HZ3 TRP 24 HZ3 TRP 24 -6.262 8.439 -10.130 190 HH2 TRP 24 HH2 TRP 24 -8.619 8.984 -10.463 191 H LYS 25 H LYS 25 -3.048 8.197 -3.281 192 HA LYS 25 HA LYS 25 -1.227 7.729 -5.426 193 1HB LYS 25 1HB LYS 25 -0.926 9.260 -3.383 194 2HB LYS 25 2HB LYS 25 -0.484 7.784 -2.509 195 1HG LYS 25 1HG LYS 25 0.943 8.120 -5.044 196 2HG LYS 25 2HG LYS 25 1.249 9.402 -3.860 197 1HD LYS 25 1HD LYS 25 1.687 7.577 -2.160 198 2HD LYS 25 2HD LYS 25 1.657 6.436 -3.517 199 1HE LYS 25 1HE LYS 25 3.357 8.557 -4.295 200 2HE LYS 25 2HE LYS 25 3.787 8.138 -2.629 201 1HZ LYS 25 1HZ LYS 25 4.504 6.089 -3.225 202 2HZ LYS 25 2HZ LYS 25 4.795 6.871 -4.695 203 3HZ LYS 25 3HZ LYS 25 3.403 5.929 -4.500 204 H GLN 26 H GLN 26 -2.651 5.755 -2.971 205 HA GLN 26 HA GLN 26 -0.744 3.702 -2.815 206 1HB GLN 26 1HB GLN 26 -3.204 4.231 -1.668 207 2HB GLN 26 2HB GLN 26 -3.508 2.778 -2.633 208 1HG GLN 26 1HG GLN 26 -1.851 1.536 -1.483 209 2HG GLN 26 2HG GLN 26 -1.221 2.991 -0.700 210 1HE2 GLN 26 1HE2 GLN 26 -3.070 4.225 0.510 211 2HE2 GLN 26 2HE2 GLN 26 -4.013 3.237 1.567 212 H GLN 27 H GLN 27 -3.060 4.506 -5.252 213 HA GLN 27 HA GLN 27 -3.375 2.024 -6.506 214 1HB GLN 27 1HB GLN 27 -3.759 4.860 -7.235 215 2HB GLN 27 2HB GLN 27 -3.513 3.755 -8.597 216 1HG GLN 27 1HG GLN 27 -5.437 2.538 -8.145 217 2HG GLN 27 2HG GLN 27 -5.518 3.118 -6.476 218 1HE2 GLN 27 1HE2 GLN 27 -7.201 3.239 -9.120 219 2HE2 GLN 27 2HE2 GLN 27 -7.808 4.856 -9.090 220 H ASN 28 H ASN 28 -0.780 4.356 -6.616 221 HA ASN 28 HA ASN 28 0.531 3.531 -8.936 222 1HB ASN 28 1HB ASN 28 1.165 5.568 -7.781 223 2HB ASN 28 2HB ASN 28 1.674 4.640 -6.365 224 1HD2 ASN 28 1HD2 ASN 28 3.765 5.411 -6.426 225 2HD2 ASN 28 2HD2 ASN 28 4.901 4.924 -7.634 226 H LEU 29 H LEU 29 0.759 2.313 -5.622 227 HA LEU 29 HA LEU 29 2.698 0.297 -6.395 228 1HB LEU 29 1HB LEU 29 1.323 0.925 -3.780 229 2HB LEU 29 2HB LEU 29 2.472 -0.405 -3.997 230 HG LEU 29 HG LEU 29 2.974 2.537 -3.915 231 1HD1 LEU 29 1HD1 LEU 29 4.792 1.840 -2.452 232 2HD1 LEU 29 2HD1 LEU 29 4.390 0.147 -2.742 233 3HD1 LEU 29 3HD1 LEU 29 3.249 1.192 -1.895 234 1HD2 LEU 29 1HD2 LEU 29 3.968 1.961 -6.007 235 2HD2 LEU 29 2HD2 LEU 29 4.674 0.492 -5.333 236 3HD2 LEU 29 3HD2 LEU 29 5.260 2.073 -4.812 237 H LYS 30 H LYS 30 -0.675 0.453 -5.328 238 HA LYS 30 HA LYS 30 -1.200 -2.285 -5.209 239 1HB LYS 30 1HB LYS 30 -2.714 -0.522 -4.357 240 2HB LYS 30 2HB LYS 30 -3.103 -0.080 -6.026 241 1HG LYS 30 1HG LYS 30 -4.368 -1.964 -6.394 242 2HG LYS 30 2HG LYS 30 -3.521 -2.894 -5.145 243 1HD LYS 30 1HD LYS 30 -4.824 -2.101 -3.456 244 2HD LYS 30 2HD LYS 30 -5.030 -0.519 -4.227 245 1HE LYS 30 1HE LYS 30 -6.376 -2.049 -5.992 246 2HE LYS 30 2HE LYS 30 -6.624 -2.991 -4.514 247 1HZ LYS 30 1HZ LYS 30 -7.125 -0.083 -4.557 248 2HZ LYS 30 2HZ LYS 30 -7.729 -1.244 -3.486 249 3HZ LYS 30 3HZ LYS 30 -8.306 -1.177 -5.076 250 H LYS 31 H LYS 31 -1.097 -0.086 -7.937 251 HA LYS 31 HA LYS 31 -2.226 -1.964 -9.796 252 1HB LYS 31 1HB LYS 31 -2.370 0.526 -10.042 253 2HB LYS 31 2HB LYS 31 -0.634 0.535 -10.393 254 1HG LYS 31 1HG LYS 31 -1.727 0.626 -12.482 255 2HG LYS 31 2HG LYS 31 -1.124 -1.032 -12.303 256 1HD LYS 31 1HD LYS 31 -3.340 -1.199 -13.156 257 2HD LYS 31 2HD LYS 31 -3.405 -1.666 -11.447 258 1HE LYS 31 1HE LYS 31 -4.273 0.495 -10.818 259 2HE LYS 31 2HE LYS 31 -4.044 1.099 -12.467 260 1HZ LYS 31 1HZ LYS 31 -6.323 -0.014 -11.471 261 2HZ LYS 31 2HZ LYS 31 -5.655 -1.263 -12.396 262 3HZ LYS 31 3HZ LYS 31 -5.976 0.238 -13.107 263 H GLU 32 H GLU 32 0.934 -1.224 -8.587 264 HA GLU 32 HA GLU 32 2.461 -2.308 -10.709 265 1HB GLU 32 1HB GLU 32 3.465 -0.826 -9.071 266 2HB GLU 32 2HB GLU 32 3.122 -1.986 -7.778 267 1HG GLU 32 1HG GLU 32 4.710 -3.538 -8.604 268 2HG GLU 32 2HG GLU 32 4.893 -2.635 -10.114 269 HE2 GLU 32 HE2 GLU 32 6.373 -0.346 -7.343 270 H LYS 33 H LYS 33 1.179 -3.692 -7.715 271 HA LYS 33 HA LYS 33 0.844 -6.262 -8.761 272 1HB LYS 33 1HB LYS 33 3.503 -5.822 -8.372 273 2HB LYS 33 2HB LYS 33 3.040 -6.516 -6.809 274 1HG LYS 33 1HG LYS 33 2.086 -8.467 -7.959 275 2HG LYS 33 2HG LYS 33 2.603 -7.779 -9.509 276 1HD LYS 33 1HD LYS 33 4.787 -8.300 -9.182 277 2HD LYS 33 2HD LYS 33 4.694 -8.008 -7.436 278 1HE LYS 33 1HE LYS 33 4.866 -10.262 -7.314 279 2HE LYS 33 2HE LYS 33 3.125 -10.186 -7.620 280 1HZ LYS 33 1HZ LYS 33 3.688 -11.604 -9.263 281 2HZ LYS 33 2HZ LYS 33 5.278 -11.038 -9.383 282 3HZ LYS 33 3HZ LYS 33 4.016 -10.176 -10.109 283 H LEU 34 H LEU 34 -0.908 -6.767 -7.630 284 HA LEU 34 HA LEU 34 -0.809 -7.222 -4.834 285 1HB LEU 34 1HB LEU 34 -1.157 -4.603 -5.335 286 2HB LEU 34 2HB LEU 34 -2.841 -5.151 -5.401 287 HG LEU 34 HG LEU 34 -2.401 -4.340 -3.198 288 1HD1 LEU 34 1HD1 LEU 34 -3.631 -6.594 -3.619 289 2HD1 LEU 34 2HD1 LEU 34 -3.229 -6.104 -1.974 290 3HD1 LEU 34 3HD1 LEU 34 -2.231 -7.294 -2.807 291 1HD2 LEU 34 1HD2 LEU 34 -0.088 -6.274 -3.120 292 2HD2 LEU 34 2HD2 LEU 34 -0.641 -5.268 -1.782 293 3HD2 LEU 34 3HD2 LEU 34 0.035 -4.519 -3.230 294 H LEU 35 H LEU 35 -3.281 -6.181 -7.192 295 HA LEU 35 HA LEU 35 -4.805 -8.607 -6.533 296 1HB LEU 35 1HB LEU 35 -5.539 -5.871 -6.863 297 2HB LEU 35 2HB LEU 35 -6.321 -6.824 -8.138 298 HG LEU 35 HG LEU 35 -7.789 -6.560 -6.217 299 1HD1 LEU 35 1HD1 LEU 35 -7.893 -8.621 -7.560 300 2HD1 LEU 35 2HD1 LEU 35 -8.367 -8.883 -5.882 301 3HD1 LEU 35 3HD1 LEU 35 -6.771 -9.389 -6.437 302 1HD2 LEU 35 1HD2 LEU 35 -5.606 -6.616 -4.670 303 2HD2 LEU 35 2HD2 LEU 35 -6.130 -8.290 -4.486 304 3HD2 LEU 35 3HD2 LEU 35 -7.224 -6.971 -4.065 305 H PHE 36 H PHE 36 -5.967 -9.662 -8.304 306 HA PHE 36 HA PHE 36 -4.235 -10.123 -10.529 307 1HB PHE 36 1HB PHE 36 -6.038 -11.662 -9.248 308 2HB PHE 36 2HB PHE 36 -7.025 -11.133 -10.613 309 HD1 PHE 36 HD2 PHE 36 -3.903 -12.885 -9.715 310 HD2 PHE 36 HD1 PHE 36 -6.721 -12.006 -12.780 311 HE1 PHE 36 HE2 PHE 36 -2.866 -14.593 -11.151 312 HE2 PHE 36 HE1 PHE 36 -5.691 -13.712 -14.222 313 HZ PHE 36 HZ PHE 36 -3.760 -15.007 -13.409 Start of MODEL 9 1 1H MET 1 1H MET 1 -7.224 -12.955 4.457 2 2H MET 1 2H MET 1 -6.787 -11.653 3.533 3 3H MET 1 3H MET 1 -5.628 -12.687 4.105 4 HA MET 1 HA MET 1 -7.340 -10.964 5.706 5 1HB MET 1 1HB MET 1 -5.560 -13.230 6.339 6 2HB MET 1 2HB MET 1 -5.314 -11.787 7.333 7 1HG MET 1 1HG MET 1 -6.974 -12.509 8.619 8 2HG MET 1 2HG MET 1 -8.057 -12.083 7.290 9 1HE MET 1 1HE MET 1 -9.729 -13.340 6.868 10 2HE MET 1 2HE MET 1 -9.127 -14.283 5.504 11 3HE MET 1 3HE MET 1 -9.904 -15.095 6.866 12 H LEU 2 H LEU 2 -6.185 -9.232 6.754 13 HA LEU 2 HA LEU 2 -3.543 -8.570 5.745 14 1HB LEU 2 1HB LEU 2 -5.133 -7.707 4.047 15 2HB LEU 2 2HB LEU 2 -5.886 -6.722 5.313 16 HG LEU 2 HG LEU 2 -3.527 -5.691 5.593 17 1HD1 LEU 2 1HD1 LEU 2 -2.188 -5.689 3.559 18 2HD1 LEU 2 2HD1 LEU 2 -3.307 -6.825 2.808 19 3HD1 LEU 2 3HD1 LEU 2 -2.352 -7.323 4.204 20 1HD2 LEU 2 1HD2 LEU 2 -5.359 -5.186 3.260 21 2HD2 LEU 2 2HD2 LEU 2 -4.004 -4.132 3.666 22 3HD2 LEU 2 3HD2 LEU 2 -5.322 -4.358 4.817 23 H SER 3 H SER 3 -2.630 -8.415 7.718 24 HA SER 3 HA SER 3 -3.972 -6.859 9.799 25 1HB SER 3 1HB SER 3 -1.780 -7.711 11.066 26 2HB SER 3 2HB SER 3 -3.202 -8.748 10.853 27 HG SER 3 HG SER 3 -0.696 -8.971 9.763 28 H ASP 4 H ASP 4 -2.650 -5.341 11.089 29 HA ASP 4 HA ASP 4 -1.498 -3.359 9.467 30 1HB ASP 4 1HB ASP 4 -1.040 -3.657 12.441 31 2HB ASP 4 2HB ASP 4 -1.037 -2.168 11.487 32 HD2 ASP 4 HD2 ASP 4 -4.584 -2.249 11.278 33 H GLU 5 H GLU 5 -0.064 -5.915 11.425 34 HA GLU 5 HA GLU 5 2.624 -5.037 11.118 35 1HB GLU 5 1HB GLU 5 1.300 -7.558 12.050 36 2HB GLU 5 2HB GLU 5 3.042 -7.557 11.725 37 1HG GLU 5 1HG GLU 5 1.854 -5.455 13.492 38 2HG GLU 5 2HG GLU 5 2.168 -7.079 14.121 39 HE2 GLU 5 HE2 GLU 5 5.512 -6.429 14.433 40 H ASP 6 H ASP 6 0.497 -7.111 9.272 41 HA ASP 6 HA ASP 6 2.605 -8.098 7.566 42 1HB ASP 6 1HB ASP 6 0.504 -9.384 8.156 43 2HB ASP 6 2HB ASP 6 -0.373 -8.275 7.094 44 HD2 ASP 6 HD2 ASP 6 2.311 -10.394 5.105 45 H PHE 7 H PHE 7 0.410 -5.428 7.616 46 HA PHE 7 HA PHE 7 0.325 -4.818 4.875 47 1HB PHE 7 1HB PHE 7 -1.157 -3.833 6.633 48 2HB PHE 7 2HB PHE 7 0.213 -2.864 7.181 49 HD1 PHE 7 HD1 PHE 7 1.155 -1.095 5.754 50 HD2 PHE 7 HD2 PHE 7 -2.363 -3.226 4.661 51 HE1 PHE 7 HE1 PHE 7 0.612 0.653 4.109 52 HE2 PHE 7 HE2 PHE 7 -2.912 -1.483 3.014 53 HZ PHE 7 HZ PHE 7 -1.423 0.459 2.736 54 H LYS 8 H LYS 8 2.519 -3.727 7.440 55 HA LYS 8 HA LYS 8 4.074 -2.049 5.758 56 1HB LYS 8 1HB LYS 8 5.717 -2.084 7.622 57 2HB LYS 8 2HB LYS 8 4.072 -1.681 8.142 58 1HG LYS 8 1HG LYS 8 3.749 -3.746 9.182 59 2HG LYS 8 2HG LYS 8 5.102 -4.489 8.311 60 1HD LYS 8 1HD LYS 8 5.585 -2.183 10.173 61 2HD LYS 8 2HD LYS 8 5.403 -3.829 10.804 62 1HE LYS 8 1HE LYS 8 7.640 -3.925 10.476 63 2HE LYS 8 2HE LYS 8 7.156 -4.289 8.813 64 1HZ LYS 8 1HZ LYS 8 7.375 -1.469 9.469 65 2HZ LYS 8 2HZ LYS 8 7.857 -2.297 8.076 66 3HZ LYS 8 3HZ LYS 8 8.832 -2.331 9.458 67 H ALA 9 H ALA 9 3.969 -5.434 6.239 68 HA ALA 9 HA ALA 9 6.668 -6.034 5.537 69 1HB ALA 9 1HB ALA 9 4.216 -7.787 5.427 70 2HB ALA 9 2HB ALA 9 5.888 -8.338 5.323 71 3HB ALA 9 3HB ALA 9 5.295 -7.600 6.810 72 H VAL 10 H VAL 10 3.605 -5.975 3.745 73 HA VAL 10 HA VAL 10 4.859 -6.718 1.263 74 HB VAL 10 HB VAL 10 2.077 -5.818 1.974 75 1HG1 VAL 10 1HG1 VAL 10 2.512 -4.867 -0.191 76 2HG1 VAL 10 2HG1 VAL 10 3.192 -6.389 -0.769 77 3HG1 VAL 10 3HG1 VAL 10 1.473 -6.276 -0.389 78 1HG2 VAL 10 1HG2 VAL 10 1.444 -8.033 1.565 79 2HG2 VAL 10 2HG2 VAL 10 2.928 -8.392 0.685 80 3HG2 VAL 10 3HG2 VAL 10 2.973 -8.173 2.434 81 H PHE 11 H PHE 11 3.714 -3.745 2.771 82 HA PHE 11 HA PHE 11 3.917 -2.041 0.565 83 1HB PHE 11 1HB PHE 11 3.561 -1.790 3.423 84 2HB PHE 11 2HB PHE 11 4.651 -0.536 2.827 85 HD1 PHE 11 HD2 PHE 11 1.781 -2.069 1.049 86 HD2 PHE 11 HD1 PHE 11 3.361 1.400 2.941 87 HE1 PHE 11 HE2 PHE 11 -0.137 -0.759 0.239 88 HE2 PHE 11 HE1 PHE 11 1.445 2.717 2.135 89 HZ PHE 11 HZ PHE 11 -0.306 1.638 0.781 90 H GLY 12 H GLY 12 6.332 -2.996 2.972 91 1HA GLY 12 1HA GLY 12 8.638 -3.199 2.551 92 2HA GLY 12 2HA GLY 12 8.435 -2.232 1.099 93 H MET 13 H MET 13 6.897 -0.177 2.592 94 HA MET 13 HA MET 13 9.146 1.037 4.059 95 1HB MET 13 1HB MET 13 8.591 2.038 1.791 96 2HB MET 13 2HB MET 13 7.061 2.568 2.507 97 1HG MET 13 1HG MET 13 8.023 4.215 3.723 98 2HG MET 13 2HG MET 13 9.498 3.285 3.998 99 1HE MET 13 1HE MET 13 10.645 2.376 1.867 100 2HE MET 13 2HE MET 13 10.901 3.294 0.384 101 3HE MET 13 3HE MET 13 11.836 3.676 1.829 102 H THR 14 H THR 14 8.474 2.726 5.632 103 HA THR 14 HA THR 14 6.788 1.745 7.575 104 HB THR 14 HB THR 14 7.022 4.711 7.304 105 HG1 THR 14 HG1 THR 14 9.220 4.331 8.274 106 1HG2 THR 14 1HG2 THR 14 7.780 3.157 9.724 107 2HG2 THR 14 2HG2 THR 14 6.073 3.215 9.283 108 3HG2 THR 14 3HG2 THR 14 6.956 4.710 9.590 109 H ARG 15 H ARG 15 4.735 1.161 7.134 110 HA ARG 15 HA ARG 15 2.984 2.327 5.335 111 1HB ARG 15 1HB ARG 15 1.292 1.024 6.280 112 2HB ARG 15 2HB ARG 15 2.771 0.120 6.638 113 1HG ARG 15 1HG ARG 15 1.886 0.010 8.704 114 2HG ARG 15 2HG ARG 15 2.614 1.619 8.859 115 1HD ARG 15 1HD ARG 15 0.294 1.622 9.648 116 2HD ARG 15 2HD ARG 15 0.501 2.657 8.228 117 HE ARG 15 HE ARG 15 -0.290 0.341 7.122 118 1HH1 ARG 15 1HH1 ARG 15 -1.543 2.216 9.774 119 2HH1 ARG 15 2HH1 ARG 15 -3.184 1.721 9.520 120 1HH2 ARG 15 1HH2 ARG 15 -2.446 -0.319 6.777 121 2HH2 ARG 15 2HH2 ARG 15 -3.696 0.277 7.816 122 H SER 16 H SER 16 3.879 3.349 8.523 123 HA SER 16 HA SER 16 1.652 5.016 9.062 124 1HB SER 16 1HB SER 16 4.229 4.418 10.277 125 2HB SER 16 2HB SER 16 3.837 6.143 10.389 126 HG SER 16 HG SER 16 2.913 5.167 12.146 127 H ALA 17 H ALA 17 4.848 5.657 7.659 128 HA ALA 17 HA ALA 17 4.369 8.442 7.268 129 1HB ALA 17 1HB ALA 17 6.442 8.443 6.026 130 2HB ALA 17 2HB ALA 17 6.630 7.482 7.493 131 3HB ALA 17 3HB ALA 17 6.423 6.682 5.935 132 H PHE 18 H PHE 18 3.928 5.555 5.327 133 HA PHE 18 HA PHE 18 3.422 6.957 2.883 134 1HB PHE 18 1HB PHE 18 3.527 4.176 3.793 135 2HB PHE 18 2HB PHE 18 2.251 4.465 2.606 136 HD1 PHE 18 HD1 PHE 18 5.548 6.146 2.803 137 HD2 PHE 18 HD2 PHE 18 3.069 3.399 0.699 138 HE1 PHE 18 HE1 PHE 18 7.197 6.061 0.978 139 HE2 PHE 18 HE2 PHE 18 4.715 3.308 -1.128 140 HZ PHE 18 HZ PHE 18 6.782 4.640 -0.990 141 H ALA 19 H ALA 19 1.458 5.659 5.492 142 HA ALA 19 HA ALA 19 -1.061 5.835 4.296 143 1HB ALA 19 1HB ALA 19 -0.684 4.672 6.400 144 2HB ALA 19 2HB ALA 19 -0.335 6.204 7.200 145 3HB ALA 19 3HB ALA 19 -1.953 5.884 6.575 146 H ASN 20 H ASN 20 1.079 8.302 5.334 147 HA ASN 20 HA ASN 20 -0.729 10.352 5.970 148 1HB ASN 20 1HB ASN 20 2.012 10.094 5.898 149 2HB ASN 20 2HB ASN 20 1.702 11.233 4.582 150 1HD2 ASN 20 1HD2 ASN 20 0.981 10.637 7.986 151 2HD2 ASN 20 2HD2 ASN 20 0.872 12.301 8.437 152 H LEU 21 H LEU 21 0.021 8.875 2.986 153 HA LEU 21 HA LEU 21 -1.016 11.137 1.441 154 1HB LEU 21 1HB LEU 21 0.774 8.885 0.913 155 2HB LEU 21 2HB LEU 21 -0.440 9.133 -0.354 156 HG LEU 21 HG LEU 21 0.375 11.282 -0.868 157 1HD1 LEU 21 1HD1 LEU 21 2.095 12.421 0.452 158 2HD1 LEU 21 2HD1 LEU 21 2.058 11.108 1.627 159 3HD1 LEU 21 3HD1 LEU 21 0.636 12.123 1.397 160 1HD2 LEU 21 1HD2 LEU 21 2.069 9.027 -0.907 161 2HD2 LEU 21 2HD2 LEU 21 3.069 10.418 -0.489 162 3HD2 LEU 21 3HD2 LEU 21 2.105 10.437 -1.967 163 HA PRO 22 HA PRO 22 -4.969 9.379 0.714 164 1HB PRO 22 1HB PRO 22 -5.422 10.005 -1.915 165 2HB PRO 22 2HB PRO 22 -5.429 11.197 -0.615 166 1HG PRO 22 1HG PRO 22 -3.229 10.477 -2.522 167 2HG PRO 22 2HG PRO 22 -3.804 12.107 -2.008 168 1HD PRO 22 1HD PRO 22 -1.568 10.954 -0.989 169 2HD PRO 22 2HD PRO 22 -2.623 12.008 -0.031 170 H LEU 23 H LEU 23 -6.150 7.712 -0.389 171 HA LEU 23 HA LEU 23 -4.641 5.402 -0.927 172 1HB LEU 23 1HB LEU 23 -7.513 6.174 -1.170 173 2HB LEU 23 2HB LEU 23 -6.964 4.691 -1.970 174 HG LEU 23 HG LEU 23 -6.126 3.895 0.249 175 1HD1 LEU 23 1HD1 LEU 23 -7.162 6.547 1.032 176 2HD1 LEU 23 2HD1 LEU 23 -5.841 5.595 1.709 177 3HD1 LEU 23 3HD1 LEU 23 -7.510 5.208 2.126 178 1HD2 LEU 23 1HD2 LEU 23 -8.565 3.690 1.186 179 2HD2 LEU 23 2HD2 LEU 23 -8.111 2.887 -0.317 180 3HD2 LEU 23 3HD2 LEU 23 -8.999 4.412 -0.363 181 H TRP 24 H TRP 24 -5.703 7.986 -2.955 182 HA TRP 24 HA TRP 24 -5.796 6.780 -5.453 183 1HB TRP 24 1HB TRP 24 -5.089 9.539 -4.505 184 2HB TRP 24 2HB TRP 24 -4.867 9.124 -6.205 185 HD1 TRP 24 HD1 TRP 24 -7.728 9.136 -3.588 186 HE1 TRP 24 HE1 TRP 24 -9.936 9.587 -4.831 187 HE3 TRP 24 HE3 TRP 24 -5.962 9.190 -8.386 188 HZ2 TRP 24 HZ2 TRP 24 -10.814 9.920 -7.494 189 HZ3 TRP 24 HZ3 TRP 24 -7.551 9.582 -10.222 190 HH2 TRP 24 HH2 TRP 24 -9.926 9.938 -9.784 191 H LYS 25 H LYS 25 -2.998 8.066 -3.692 192 HA LYS 25 HA LYS 25 -1.125 7.472 -5.754 193 1HB LYS 25 1HB LYS 25 -1.096 8.924 -3.391 194 2HB LYS 25 2HB LYS 25 -0.010 7.564 -3.061 195 1HG LYS 25 1HG LYS 25 0.241 9.295 -5.514 196 2HG LYS 25 2HG LYS 25 1.067 9.644 -3.986 197 1HD LYS 25 1HD LYS 25 1.328 7.039 -5.499 198 2HD LYS 25 2HD LYS 25 2.459 8.395 -5.639 199 1HE LYS 25 1HE LYS 25 2.730 8.247 -3.104 200 2HE LYS 25 2HE LYS 25 1.887 6.696 -3.224 201 1HZ LYS 25 1HZ LYS 25 3.695 5.698 -4.026 202 2HZ LYS 25 2HZ LYS 25 4.555 7.051 -3.487 203 3HZ LYS 25 3HZ LYS 25 4.049 6.958 -5.098 204 H GLN 26 H GLN 26 -2.540 5.661 -3.167 205 HA GLN 26 HA GLN 26 -0.568 3.655 -2.910 206 1HB GLN 26 1HB GLN 26 -2.748 4.260 -1.494 207 2HB GLN 26 2HB GLN 26 -3.430 2.964 -2.489 208 1HG GLN 26 1HG GLN 26 -1.937 1.358 -1.641 209 2HG GLN 26 2HG GLN 26 -0.888 2.599 -0.942 210 1HE2 GLN 26 1HE2 GLN 26 -2.359 4.156 0.524 211 2HE2 GLN 26 2HE2 GLN 26 -3.240 3.298 1.738 212 H GLN 27 H GLN 27 -3.054 4.229 -5.245 213 HA GLN 27 HA GLN 27 -3.419 1.645 -6.255 214 1HB GLN 27 1HB GLN 27 -3.566 4.334 -7.632 215 2HB GLN 27 2HB GLN 27 -4.097 2.814 -8.369 216 1HG GLN 27 1HG GLN 27 -5.717 2.515 -6.521 217 2HG GLN 27 2HG GLN 27 -5.237 4.099 -5.899 218 1HE2 GLN 27 1HE2 GLN 27 -7.652 2.710 -7.388 219 2HE2 GLN 27 2HE2 GLN 27 -8.174 3.964 -8.457 220 H ASN 28 H ASN 28 -0.873 3.982 -6.754 221 HA ASN 28 HA ASN 28 0.287 2.948 -9.074 222 1HB ASN 28 1HB ASN 28 0.834 5.119 -7.813 223 2HB ASN 28 2HB ASN 28 1.885 4.118 -6.804 224 1HD2 ASN 28 1HD2 ASN 28 2.985 6.145 -8.192 225 2HD2 ASN 28 2HD2 ASN 28 3.944 5.538 -9.495 226 H LEU 29 H LEU 29 0.739 2.062 -5.683 227 HA LEU 29 HA LEU 29 2.686 0.024 -6.370 228 1HB LEU 29 1HB LEU 29 1.436 0.866 -3.753 229 2HB LEU 29 2HB LEU 29 2.609 -0.454 -3.909 230 HG LEU 29 HG LEU 29 3.034 2.494 -4.128 231 1HD1 LEU 29 1HD1 LEU 29 4.951 1.973 -2.714 232 2HD1 LEU 29 2HD1 LEU 29 4.570 0.255 -2.818 233 3HD1 LEU 29 3HD1 LEU 29 3.454 1.357 -2.011 234 1HD2 LEU 29 1HD2 LEU 29 5.279 1.998 -5.105 235 2HD2 LEU 29 2HD2 LEU 29 3.931 1.745 -6.212 236 3HD2 LEU 29 3HD2 LEU 29 4.712 0.363 -5.442 237 H LYS 30 H LYS 30 -0.628 0.208 -5.137 238 HA LYS 30 HA LYS 30 -1.074 -2.517 -4.735 239 1HB LYS 30 1HB LYS 30 -2.582 -0.702 -3.973 240 2HB LYS 30 2HB LYS 30 -3.081 -0.449 -5.654 241 1HG LYS 30 1HG LYS 30 -4.255 -2.445 -5.758 242 2HG LYS 30 2HG LYS 30 -3.370 -3.142 -4.389 243 1HD LYS 30 1HD LYS 30 -4.823 -2.324 -2.896 244 2HD LYS 30 2HD LYS 30 -4.795 -0.720 -3.648 245 1HE LYS 30 1HE LYS 30 -7.008 -1.357 -3.939 246 2HE LYS 30 2HE LYS 30 -6.266 -1.815 -5.479 247 1HZ LYS 30 1HZ LYS 30 -7.239 -3.522 -3.309 248 2HZ LYS 30 2HZ LYS 30 -5.918 -4.070 -4.213 249 3HZ LYS 30 3HZ LYS 30 -7.382 -3.718 -4.984 250 H LYS 31 H LYS 31 -1.182 -0.582 -7.658 251 HA LYS 31 HA LYS 31 -2.344 -2.667 -9.263 252 1HB LYS 31 1HB LYS 31 -2.614 -0.215 -9.721 253 2HB LYS 31 2HB LYS 31 -0.905 -0.176 -10.189 254 1HG LYS 31 1HG LYS 31 -1.719 -2.174 -11.771 255 2HG LYS 31 2HG LYS 31 -3.240 -1.275 -11.626 256 1HD LYS 31 1HD LYS 31 -2.136 -0.406 -13.538 257 2HD LYS 31 2HD LYS 31 -1.947 0.800 -12.253 258 1HE LYS 31 1HE LYS 31 0.268 0.711 -12.467 259 2HE LYS 31 2HE LYS 31 0.230 -1.013 -12.069 260 1HZ LYS 31 1HZ LYS 31 0.735 -1.505 -14.151 261 2HZ LYS 31 2HZ LYS 31 0.874 0.142 -14.507 262 3HZ LYS 31 3HZ LYS 31 -0.602 -0.651 -14.738 263 H GLU 32 H GLU 32 0.844 -1.682 -8.332 264 HA GLU 32 HA GLU 32 2.327 -2.834 -10.424 265 1HB GLU 32 1HB GLU 32 3.239 -1.250 -8.741 266 2HB GLU 32 2HB GLU 32 3.146 -2.538 -7.530 267 1HG GLU 32 1HG GLU 32 4.818 -3.816 -8.584 268 2HG GLU 32 2HG GLU 32 4.727 -2.843 -10.060 269 HE2 GLU 32 HE2 GLU 32 6.631 -0.270 -8.598 270 H LYS 33 H LYS 33 0.986 -4.180 -7.468 271 HA LYS 33 HA LYS 33 2.018 -6.829 -8.233 272 1HB LYS 33 1HB LYS 33 1.253 -5.613 -5.593 273 2HB LYS 33 2HB LYS 33 1.264 -7.371 -5.801 274 1HG LYS 33 1HG LYS 33 3.653 -7.143 -6.605 275 2HG LYS 33 2HG LYS 33 3.578 -5.470 -6.029 276 1HD LYS 33 1HD LYS 33 3.639 -6.063 -3.843 277 2HD LYS 33 2HD LYS 33 2.662 -7.517 -4.114 278 1HE LYS 33 1HE LYS 33 4.782 -8.335 -3.503 279 2HE LYS 33 2HE LYS 33 4.718 -8.492 -5.264 280 1HZ LYS 33 1HZ LYS 33 5.736 -5.959 -4.667 281 2HZ LYS 33 2HZ LYS 33 6.535 -7.260 -5.397 282 3HZ LYS 33 3HZ LYS 33 6.576 -7.078 -3.716 283 H LEU 34 H LEU 34 -0.797 -5.714 -6.357 284 HA LEU 34 HA LEU 34 -2.475 -7.819 -6.969 285 1HB LEU 34 1HB LEU 34 -2.664 -5.407 -5.582 286 2HB LEU 34 2HB LEU 34 -3.938 -5.328 -6.811 287 HG LEU 34 HG LEU 34 -4.798 -6.181 -4.698 288 1HD1 LEU 34 1HD1 LEU 34 -6.163 -7.672 -5.689 289 2HD1 LEU 34 2HD1 LEU 34 -4.829 -8.643 -6.314 290 3HD1 LEU 34 3HD1 LEU 34 -5.314 -7.167 -7.151 291 1HD2 LEU 34 1HD2 LEU 34 -4.060 -8.339 -3.826 292 2HD2 LEU 34 2HD2 LEU 34 -2.738 -7.171 -3.839 293 3HD2 LEU 34 3HD2 LEU 34 -2.819 -8.427 -5.076 294 H LEU 35 H LEU 35 -2.348 -4.645 -8.588 295 HA LEU 35 HA LEU 35 -2.965 -3.972 -10.670 296 1HB LEU 35 1HB LEU 35 -1.390 -5.941 -11.172 297 2HB LEU 35 2HB LEU 35 -2.873 -6.847 -11.523 298 HG LEU 35 HG LEU 35 -2.398 -4.257 -12.928 299 1HD1 LEU 35 1HD1 LEU 35 -1.002 -6.857 -13.495 300 2HD1 LEU 35 2HD1 LEU 35 -0.297 -5.254 -13.296 301 3HD1 LEU 35 3HD1 LEU 35 -1.256 -5.623 -14.729 302 1HD2 LEU 35 1HD2 LEU 35 -4.345 -4.967 -13.767 303 2HD2 LEU 35 2HD2 LEU 35 -4.113 -6.608 -13.164 304 3HD2 LEU 35 3HD2 LEU 35 -3.375 -6.114 -14.689 305 H PHE 36 H PHE 36 -5.061 -3.402 -9.941 306 HA PHE 36 HA PHE 36 -7.160 -4.703 -11.375 307 1HB PHE 36 1HB PHE 36 -6.687 -5.883 -8.979 308 2HB PHE 36 2HB PHE 36 -7.836 -4.635 -8.495 309 HD1 PHE 36 HD2 PHE 36 -10.104 -4.567 -9.471 310 HD2 PHE 36 HD1 PHE 36 -7.410 -7.771 -10.244 311 HE1 PHE 36 HE2 PHE 36 -11.981 -5.953 -10.253 312 HE2 PHE 36 HE1 PHE 36 -9.283 -9.161 -11.028 313 HZ PHE 36 HZ PHE 36 -11.572 -8.253 -11.032 Start of MODEL 10 1 1H MET 1 1H MET 1 -9.345 -8.365 3.029 2 2H MET 1 2H MET 1 -8.039 -7.384 3.293 3 3H MET 1 3H MET 1 -7.897 -8.701 2.301 4 HA MET 1 HA MET 1 -8.427 -8.749 5.160 5 1HB MET 1 1HB MET 1 -9.185 -10.608 3.293 6 2HB MET 1 2HB MET 1 -7.599 -11.213 3.793 7 1HG MET 1 1HG MET 1 -8.283 -11.733 5.896 8 2HG MET 1 2HG MET 1 -9.453 -10.412 5.947 9 1HE MET 1 1HE MET 1 -11.572 -11.115 3.316 10 2HE MET 1 2HE MET 1 -12.632 -11.651 4.621 11 3HE MET 1 3HE MET 1 -11.542 -10.286 4.873 12 H LEU 2 H LEU 2 -6.609 -7.703 5.857 13 HA LEU 2 HA LEU 2 -4.150 -9.160 5.749 14 1HB LEU 2 1HB LEU 2 -4.553 -7.331 3.697 15 2HB LEU 2 2HB LEU 2 -3.556 -6.459 4.875 16 HG LEU 2 HG LEU 2 -2.016 -8.525 4.787 17 1HD1 LEU 2 1HD1 LEU 2 -2.133 -9.521 2.416 18 2HD1 LEU 2 2HD1 LEU 2 -3.810 -8.978 2.431 19 3HD1 LEU 2 3HD1 LEU 2 -3.246 -10.130 3.641 20 1HD2 LEU 2 1HD2 LEU 2 -1.366 -6.366 3.922 21 2HD2 LEU 2 2HD2 LEU 2 -2.292 -6.641 2.446 22 3HD2 LEU 2 3HD2 LEU 2 -0.870 -7.627 2.793 23 H SER 3 H SER 3 -3.290 -8.971 7.701 24 HA SER 3 HA SER 3 -4.262 -7.193 9.651 25 1HB SER 3 1HB SER 3 -2.766 -9.482 9.700 26 2HB SER 3 2HB SER 3 -1.551 -8.259 10.108 27 HG SER 3 HG SER 3 -3.089 -9.297 11.809 28 H ASP 4 H ASP 4 -2.949 -5.618 10.878 29 HA ASP 4 HA ASP 4 -2.024 -3.549 9.245 30 1HB ASP 4 1HB ASP 4 -1.045 -2.639 11.433 31 2HB ASP 4 2HB ASP 4 -2.789 -2.928 11.385 32 HD2 ASP 4 HD2 ASP 4 -2.505 -5.658 13.583 33 H GLU 5 H GLU 5 -0.278 -6.084 10.967 34 HA GLU 5 HA GLU 5 2.319 -5.058 10.425 35 1HB GLU 5 1HB GLU 5 1.237 -7.700 11.361 36 2HB GLU 5 2HB GLU 5 2.945 -7.540 10.922 37 1HG GLU 5 1HG GLU 5 1.859 -5.505 12.778 38 2HG GLU 5 2HG GLU 5 2.027 -7.154 13.398 39 HE2 GLU 5 HE2 GLU 5 5.411 -5.388 12.274 40 H ASP 6 H ASP 6 0.140 -7.232 8.747 41 HA ASP 6 HA ASP 6 2.057 -8.155 6.844 42 1HB ASP 6 1HB ASP 6 -0.160 -9.266 7.524 43 2HB ASP 6 2HB ASP 6 -0.925 -8.117 6.418 44 HD2 ASP 6 HD2 ASP 6 0.834 -11.255 4.913 45 H PHE 7 H PHE 7 0.039 -5.361 7.118 46 HA PHE 7 HA PHE 7 -0.133 -4.618 4.414 47 1HB PHE 7 1HB PHE 7 -1.468 -3.626 6.278 48 2HB PHE 7 2HB PHE 7 -0.016 -2.777 6.810 49 HD1 PHE 7 HD1 PHE 7 0.996 -1.015 5.410 50 HD2 PHE 7 HD2 PHE 7 -2.723 -2.829 4.411 51 HE1 PHE 7 HE1 PHE 7 0.505 0.845 3.878 52 HE2 PHE 7 HE2 PHE 7 -3.220 -0.971 2.876 53 HZ PHE 7 HZ PHE 7 -1.605 0.868 2.607 54 H LYS 8 H LYS 8 2.244 -3.784 6.914 55 HA LYS 8 HA LYS 8 3.822 -2.127 5.232 56 1HB LYS 8 1HB LYS 8 3.767 -2.181 7.787 57 2HB LYS 8 2HB LYS 8 4.822 -3.598 7.666 58 1HG LYS 8 1HG LYS 8 5.754 -1.323 6.084 59 2HG LYS 8 2HG LYS 8 5.659 -1.000 7.823 60 1HD LYS 8 1HD LYS 8 6.819 -3.614 7.214 61 2HD LYS 8 2HD LYS 8 7.736 -2.262 6.529 62 1HE LYS 8 1HE LYS 8 8.706 -2.382 8.607 63 2HE LYS 8 2HE LYS 8 7.397 -1.237 8.929 64 1HZ LYS 8 1HZ LYS 8 7.861 -3.687 10.164 65 2HZ LYS 8 2HZ LYS 8 6.430 -3.855 9.278 66 3HZ LYS 8 3HZ LYS 8 6.572 -2.621 10.426 67 H ALA 9 H ALA 9 3.521 -5.518 5.562 68 HA ALA 9 HA ALA 9 6.140 -6.251 4.701 69 1HB ALA 9 1HB ALA 9 4.724 -7.787 5.965 70 2HB ALA 9 2HB ALA 9 3.579 -7.842 4.625 71 3HB ALA 9 3HB ALA 9 5.207 -8.488 4.420 72 H VAL 10 H VAL 10 3.009 -5.913 3.064 73 HA VAL 10 HA VAL 10 4.101 -6.605 0.492 74 HB VAL 10 HB VAL 10 1.416 -5.574 1.378 75 1HG1 VAL 10 1HG1 VAL 10 0.678 -5.880 -0.974 76 2HG1 VAL 10 2HG1 VAL 10 1.813 -4.545 -0.759 77 3HG1 VAL 10 3HG1 VAL 10 2.369 -6.075 -1.438 78 1HG2 VAL 10 1HG2 VAL 10 2.044 -8.127 -0.070 79 2HG2 VAL 10 2HG2 VAL 10 2.181 -8.000 1.684 80 3HG2 VAL 10 3HG2 VAL 10 0.626 -7.725 0.898 81 H PHE 11 H PHE 11 3.213 -3.648 2.192 82 HA PHE 11 HA PHE 11 3.426 -1.851 0.060 83 1HB PHE 11 1HB PHE 11 3.199 -1.721 2.938 84 2HB PHE 11 2HB PHE 11 4.344 -0.509 2.359 85 HD1 PHE 11 HD1 PHE 11 1.309 -1.773 0.640 86 HD2 PHE 11 HD2 PHE 11 3.195 1.499 2.604 87 HE1 PHE 11 HE1 PHE 11 -0.549 -0.304 -0.028 88 HE2 PHE 11 HE2 PHE 11 1.339 2.972 1.940 89 HZ PHE 11 HZ PHE 11 -0.537 2.070 0.623 90 H GLY 12 H GLY 12 5.874 -3.034 2.334 91 1HA GLY 12 1HA GLY 12 8.147 -3.352 1.823 92 2HA GLY 12 2HA GLY 12 7.945 -2.343 0.399 93 H MET 13 H MET 13 6.568 -0.259 2.040 94 HA MET 13 HA MET 13 8.951 0.807 3.407 95 1HB MET 13 1HB MET 13 8.251 1.882 1.181 96 2HB MET 13 2HB MET 13 6.865 2.522 2.078 97 1HG MET 13 1HG MET 13 8.549 4.214 2.005 98 2HG MET 13 2HG MET 13 8.434 3.600 3.657 99 1HE MET 13 1HE MET 13 11.426 3.459 0.501 100 2HE MET 13 2HE MET 13 10.241 4.672 0.983 101 3HE MET 13 3HE MET 13 11.857 4.689 1.689 102 H THR 14 H THR 14 8.513 2.350 5.135 103 HA THR 14 HA THR 14 6.848 1.416 7.099 104 HB THR 14 HB THR 14 6.911 4.187 7.537 105 HG1 THR 14 HG1 THR 14 9.488 3.446 6.681 106 1HG2 THR 14 1HG2 THR 14 9.178 2.498 8.454 107 2HG2 THR 14 2HG2 THR 14 7.549 2.013 8.928 108 3HG2 THR 14 3HG2 THR 14 8.156 3.610 9.364 109 H ARG 15 H ARG 15 4.737 1.014 6.794 110 HA ARG 15 HA ARG 15 2.973 2.357 5.135 111 1HB ARG 15 1HB ARG 15 1.246 1.155 6.154 112 2HB ARG 15 2HB ARG 15 2.671 0.134 6.395 113 1HG ARG 15 1HG ARG 15 1.905 0.031 8.509 114 2HG ARG 15 2HG ARG 15 2.766 1.572 8.658 115 1HD ARG 15 1HD ARG 15 0.492 1.705 9.588 116 2HD ARG 15 2HD ARG 15 0.718 2.797 8.214 117 HE ARG 15 HE ARG 15 -0.817 1.577 7.014 118 1HH1 ARG 15 1HH1 ARG 15 0.077 -0.165 9.893 119 2HH1 ARG 15 2HH1 ARG 15 -1.168 -1.356 9.716 120 1HH2 ARG 15 1HH2 ARG 15 -2.461 0.014 6.770 121 2HH2 ARG 15 2HH2 ARG 15 -2.611 -1.254 7.940 122 H SER 16 H SER 16 4.126 3.214 8.290 123 HA SER 16 HA SER 16 2.069 5.030 8.996 124 1HB SER 16 1HB SER 16 4.738 4.294 10.001 125 2HB SER 16 2HB SER 16 4.288 5.982 10.299 126 HG SER 16 HG SER 16 3.176 5.207 11.897 127 H ALA 17 H ALA 17 5.216 5.454 7.418 128 HA ALA 17 HA ALA 17 4.965 8.281 7.142 129 1HB ALA 17 1HB ALA 17 6.935 8.139 5.744 130 2HB ALA 17 2HB ALA 17 7.138 7.119 7.169 131 3HB ALA 17 3HB ALA 17 6.748 6.390 5.612 132 H PHE 18 H PHE 18 4.141 5.518 5.139 133 HA PHE 18 HA PHE 18 3.577 7.066 2.795 134 1HB PHE 18 1HB PHE 18 3.538 4.246 3.577 135 2HB PHE 18 2HB PHE 18 2.206 4.679 2.505 136 HD1 PHE 18 HD2 PHE 18 5.661 6.039 2.553 137 HD2 PHE 18 HD1 PHE 18 2.766 3.721 0.465 138 HE1 PHE 18 HE2 PHE 18 7.162 5.922 0.607 139 HE2 PHE 18 HE1 PHE 18 4.262 3.600 -1.483 140 HZ PHE 18 HZ PHE 18 6.464 4.702 -1.415 141 H ALA 19 H ALA 19 1.716 5.803 5.495 142 HA ALA 19 HA ALA 19 -0.864 6.185 4.511 143 1HB ALA 19 1HB ALA 19 0.113 6.447 7.352 144 2HB ALA 19 2HB ALA 19 -1.569 6.257 6.857 145 3HB ALA 19 3HB ALA 19 -0.411 4.960 6.562 146 H ASN 20 H ASN 20 1.510 8.483 5.436 147 HA ASN 20 HA ASN 20 -0.100 10.635 6.232 148 1HB ASN 20 1HB ASN 20 2.650 10.391 5.051 149 2HB ASN 20 2HB ASN 20 1.915 11.990 5.231 150 1HD2 ASN 20 1HD2 ASN 20 1.696 9.140 7.311 151 2HD2 ASN 20 2HD2 ASN 20 2.357 9.898 8.716 152 H LEU 21 H LEU 21 0.325 9.176 3.174 153 HA LEU 21 HA LEU 21 -0.712 11.529 1.764 154 1HB LEU 21 1HB LEU 21 0.960 9.239 1.046 155 2HB LEU 21 2HB LEU 21 -0.326 9.569 -0.127 156 HG LEU 21 HG LEU 21 0.531 11.702 -0.633 157 1HD1 LEU 21 1HD1 LEU 21 2.376 12.739 0.611 158 2HD1 LEU 21 2HD1 LEU 21 2.339 11.402 1.761 159 3HD1 LEU 21 3HD1 LEU 21 0.953 12.484 1.621 160 1HD2 LEU 21 1HD2 LEU 21 3.213 10.717 -0.420 161 2HD2 LEU 21 2HD2 LEU 21 2.189 10.866 -1.848 162 3HD2 LEU 21 3HD2 LEU 21 2.126 9.402 -0.867 163 HA PRO 22 HA PRO 22 -4.761 9.921 1.254 164 1HB PRO 22 1HB PRO 22 -5.367 10.643 -1.317 165 2HB PRO 22 2HB PRO 22 -5.249 11.792 0.014 166 1HG PRO 22 1HG PRO 22 -3.206 11.064 -2.058 167 2HG PRO 22 2HG PRO 22 -3.691 12.695 -1.458 168 1HD PRO 22 1HD PRO 22 -1.431 11.441 -0.627 169 2HD PRO 22 2HD PRO 22 -2.383 12.497 0.430 170 H LEU 23 H LEU 23 -6.071 8.330 0.179 171 HA LEU 23 HA LEU 23 -4.714 5.976 -0.487 172 1HB LEU 23 1HB LEU 23 -7.496 6.907 -0.406 173 2HB LEU 23 2HB LEU 23 -7.193 5.629 -1.595 174 HG LEU 23 HG LEU 23 -6.049 4.431 0.446 175 1HD1 LEU 23 1HD1 LEU 23 -6.527 5.144 2.520 176 2HD1 LEU 23 2HD1 LEU 23 -8.148 5.678 2.077 177 3HD1 LEU 23 3HD1 LEU 23 -6.757 6.705 1.732 178 1HD2 LEU 23 1HD2 LEU 23 -9.051 4.623 0.275 179 2HD2 LEU 23 2HD2 LEU 23 -8.094 3.260 0.855 180 3HD2 LEU 23 3HD2 LEU 23 -8.053 3.705 -0.852 181 H TRP 24 H TRP 24 -5.620 8.681 -2.414 182 HA TRP 24 HA TRP 24 -5.860 7.570 -4.945 183 1HB TRP 24 1HB TRP 24 -4.835 10.229 -3.969 184 2HB TRP 24 2HB TRP 24 -4.831 9.835 -5.690 185 HD1 TRP 24 HD1 TRP 24 -7.318 10.334 -2.788 186 HE1 TRP 24 HE1 TRP 24 -9.613 10.933 -3.788 187 HE3 TRP 24 HE3 TRP 24 -6.234 9.701 -7.744 188 HZ2 TRP 24 HZ2 TRP 24 -10.806 11.111 -6.340 189 HZ3 TRP 24 HZ3 TRP 24 -8.007 10.106 -9.401 190 HH2 TRP 24 HH2 TRP 24 -10.245 10.796 -8.711 191 H LYS 25 H LYS 25 -2.946 8.486 -3.161 192 HA LYS 25 HA LYS 25 -1.152 7.858 -5.291 193 1HB LYS 25 1HB LYS 25 -0.813 9.379 -3.194 194 2HB LYS 25 2HB LYS 25 -0.333 7.868 -2.406 195 1HG LYS 25 1HG LYS 25 0.933 8.530 -5.015 196 2HG LYS 25 2HG LYS 25 1.423 9.453 -3.584 197 1HD LYS 25 1HD LYS 25 1.557 7.012 -2.521 198 2HD LYS 25 2HD LYS 25 1.822 6.579 -4.218 199 1HE LYS 25 1HE LYS 25 3.710 8.083 -4.372 200 2HE LYS 25 2HE LYS 25 3.395 8.683 -2.736 201 1HZ LYS 25 1HZ LYS 25 4.219 5.921 -3.457 202 2HZ LYS 25 2HZ LYS 25 3.846 6.441 -1.891 203 3HZ LYS 25 3HZ LYS 25 5.181 7.090 -2.701 204 H GLN 26 H GLN 26 -2.703 6.040 -2.791 205 HA GLN 26 HA GLN 26 -0.935 3.867 -2.595 206 1HB GLN 26 1HB GLN 26 -3.075 4.516 -1.212 207 2HB GLN 26 2HB GLN 26 -3.892 3.469 -2.383 208 1HG GLN 26 1HG GLN 26 -2.998 1.572 -1.546 209 2HG GLN 26 2HG GLN 26 -1.469 2.359 -1.128 210 1HE2 GLN 26 1HE2 GLN 26 -2.073 4.297 0.551 211 2HE2 GLN 26 2HE2 GLN 26 -2.871 3.702 1.964 212 H GLN 27 H GLN 27 -3.214 4.768 -5.035 213 HA GLN 27 HA GLN 27 -3.703 2.285 -6.228 214 1HB GLN 27 1HB GLN 27 -4.114 5.070 -6.864 215 2HB GLN 27 2HB GLN 27 -3.587 4.179 -8.301 216 1HG GLN 27 1HG GLN 27 -5.397 2.542 -7.928 217 2HG GLN 27 2HG GLN 27 -5.948 3.516 -6.557 218 1HE2 GLN 27 1HE2 GLN 27 -6.298 5.889 -7.128 219 2HE2 GLN 27 2HE2 GLN 27 -7.144 6.195 -8.603 220 H ASN 28 H ASN 28 -0.959 4.434 -6.410 221 HA ASN 28 HA ASN 28 0.277 3.473 -8.718 222 1HB ASN 28 1HB ASN 28 0.916 5.488 -7.266 223 2HB ASN 28 2HB ASN 28 1.790 4.330 -6.256 224 1HD2 ASN 28 1HD2 ASN 28 1.728 6.015 -9.260 225 2HD2 ASN 28 2HD2 ASN 28 3.293 5.532 -9.810 226 H LEU 29 H LEU 29 0.472 2.325 -5.374 227 HA LEU 29 HA LEU 29 2.295 0.197 -6.068 228 1HB LEU 29 1HB LEU 29 1.178 1.369 -3.630 229 2HB LEU 29 2HB LEU 29 1.316 -0.398 -3.571 230 HG LEU 29 HG LEU 29 3.255 1.010 -2.654 231 1HD1 LEU 29 1HD1 LEU 29 3.510 -1.332 -2.874 232 2HD1 LEU 29 2HD1 LEU 29 4.926 -0.603 -3.632 233 3HD1 LEU 29 3HD1 LEU 29 3.615 -1.228 -4.632 234 1HD2 LEU 29 1HD2 LEU 29 4.057 1.128 -5.546 235 2HD2 LEU 29 2HD2 LEU 29 4.822 1.902 -4.160 236 3HD2 LEU 29 3HD2 LEU 29 3.257 2.475 -4.737 237 H LYS 30 H LYS 30 -1.136 0.553 -5.355 238 HA LYS 30 HA LYS 30 -1.837 -2.140 -5.160 239 1HB LYS 30 1HB LYS 30 -3.416 -0.456 -4.529 240 2HB LYS 30 2HB LYS 30 -3.398 0.243 -6.156 241 1HG LYS 30 1HG LYS 30 -4.225 -2.600 -5.884 242 2HG LYS 30 2HG LYS 30 -5.345 -1.342 -5.330 243 1HD LYS 30 1HD LYS 30 -4.389 -0.445 -7.812 244 2HD LYS 30 2HD LYS 30 -4.719 -2.175 -8.016 245 1HE LYS 30 1HE LYS 30 -6.679 -0.203 -6.822 246 2HE LYS 30 2HE LYS 30 -6.662 -0.692 -8.523 247 1HZ LYS 30 1HZ LYS 30 -8.257 -1.935 -7.102 248 2HZ LYS 30 2HZ LYS 30 -6.943 -2.610 -6.277 249 3HZ LYS 30 3HZ LYS 30 -7.157 -2.923 -7.926 250 H LYS 31 H LYS 31 -1.693 -0.031 -8.012 251 HA LYS 31 HA LYS 31 -2.449 -2.135 -9.814 252 1HB LYS 31 1HB LYS 31 -2.916 0.295 -10.204 253 2HB LYS 31 2HB LYS 31 -1.181 0.529 -10.471 254 1HG LYS 31 1HG LYS 31 -1.225 -0.367 -12.535 255 2HG LYS 31 2HG LYS 31 -2.425 -1.592 -12.084 256 1HD LYS 31 1HD LYS 31 -4.191 0.133 -12.127 257 2HD LYS 31 2HD LYS 31 -2.981 1.323 -12.640 258 1HE LYS 31 1HE LYS 31 -3.474 -1.218 -14.187 259 2HE LYS 31 2HE LYS 31 -4.421 0.252 -14.458 260 1HZ LYS 31 1HZ LYS 31 -2.238 -0.248 -15.808 261 2HZ LYS 31 2HZ LYS 31 -1.507 0.498 -14.477 262 3HZ LYS 31 3HZ LYS 31 -2.668 1.332 -15.382 263 H GLU 32 H GLU 32 0.516 -0.886 -8.519 264 HA GLU 32 HA GLU 32 2.275 -1.886 -10.505 265 1HB GLU 32 1HB GLU 32 3.020 -0.163 -8.993 266 2HB GLU 32 2HB GLU 32 2.729 -1.211 -7.596 267 1HG GLU 32 1HG GLU 32 4.496 -2.555 -9.390 268 2HG GLU 32 2HG GLU 32 5.097 -0.916 -9.099 269 HE2 GLU 32 HE2 GLU 32 5.553 -1.607 -5.666 270 H LYS 33 H LYS 33 1.021 -3.221 -7.484 271 HA LYS 33 HA LYS 33 1.203 -5.888 -8.354 272 1HB LYS 33 1HB LYS 33 3.677 -5.133 -7.866 273 2HB LYS 33 2HB LYS 33 3.204 -5.407 -6.181 274 1HG LYS 33 1HG LYS 33 3.061 -7.665 -6.426 275 2HG LYS 33 2HG LYS 33 2.602 -7.555 -8.133 276 1HD LYS 33 1HD LYS 33 4.951 -6.809 -8.636 277 2HD LYS 33 2HD LYS 33 5.352 -7.189 -6.952 278 1HE LYS 33 1HE LYS 33 4.194 -9.163 -8.935 279 2HE LYS 33 2HE LYS 33 5.912 -9.014 -8.537 280 1HZ LYS 33 1HZ LYS 33 5.239 -10.688 -7.141 281 2HZ LYS 33 2HZ LYS 33 3.709 -10.020 -6.870 282 3HZ LYS 33 3HZ LYS 33 5.069 -9.346 -6.124 283 H LEU 34 H LEU 34 -0.616 -6.548 -7.417 284 HA LEU 34 HA LEU 34 -0.809 -6.784 -4.587 285 1HB LEU 34 1HB LEU 34 -1.520 -4.323 -5.388 286 2HB LEU 34 2HB LEU 34 -3.060 -5.167 -5.623 287 HG LEU 34 HG LEU 34 -3.087 -4.119 -3.473 288 1HD1 LEU 34 1HD1 LEU 34 -4.015 -6.445 -3.743 289 2HD1 LEU 34 2HD1 LEU 34 -3.630 -5.961 -2.091 290 3HD1 LEU 34 3HD1 LEU 34 -2.542 -7.034 -2.972 291 1HD2 LEU 34 1HD2 LEU 34 -1.434 -4.624 -1.748 292 2HD2 LEU 34 2HD2 LEU 34 -0.678 -3.881 -3.157 293 3HD2 LEU 34 3HD2 LEU 34 -0.535 -5.620 -2.892 294 H LEU 35 H LEU 35 -3.066 -6.409 -7.329 295 HA LEU 35 HA LEU 35 -4.701 -8.584 -6.502 296 1HB LEU 35 1HB LEU 35 -5.073 -6.489 -8.148 297 2HB LEU 35 2HB LEU 35 -4.730 -7.756 -9.339 298 HG LEU 35 HG LEU 35 -6.587 -9.097 -8.263 299 1HD1 LEU 35 1HD1 LEU 35 -6.532 -7.619 -6.176 300 2HD1 LEU 35 2HD1 LEU 35 -8.109 -8.087 -6.810 301 3HD1 LEU 35 3HD1 LEU 35 -7.478 -6.471 -7.123 302 1HD2 LEU 35 1HD2 LEU 35 -7.984 -8.317 -9.839 303 2HD2 LEU 35 2HD2 LEU 35 -6.618 -7.297 -10.291 304 3HD2 LEU 35 3HD2 LEU 35 -7.889 -6.657 -9.249 305 H PHE 36 H PHE 36 -1.890 -8.292 -8.518 306 HA PHE 36 HA PHE 36 -2.132 -11.137 -9.247 307 1HB PHE 36 1HB PHE 36 -1.409 -8.784 -10.789 308 2HB PHE 36 2HB PHE 36 -0.136 -10.004 -10.848 309 HD1 PHE 36 HD1 PHE 36 -0.498 -12.166 -11.871 310 HD2 PHE 36 HD2 PHE 36 -3.589 -9.241 -11.757 311 HE1 PHE 36 HE1 PHE 36 -1.757 -13.435 -13.562 312 HE2 PHE 36 HE2 PHE 36 -4.852 -10.505 -13.447 313 HZ PHE 36 HZ PHE 36 -3.937 -12.606 -14.352
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