NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655771 | 6xcr | 30760 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.521 0.538 -1.983 3 HB2 MET 1 HB2 MET 1 3.963 0.725 -1.983 4 HB3 MET 1 HB3 MET 1 3.252 1.718 -0.718 5 HG2 MET 1 HG2 MET 1 4.840 0.794 0.556 6 HG3 MET 1 HG3 MET 1 3.707 -0.552 0.655 7 HE1 MET 1 HE1 MET 1 7.917 -0.839 -0.562 8 HE2 MET 1 HE2 MET 1 7.136 0.722 -0.816 9 HE3 MET 1 HE3 MET 1 7.075 -0.047 0.771 10 H ILE 2 H ILE 2 2.525 -2.080 0.139 11 HA ILE 2 HA ILE 2 3.549 -3.779 -1.884 12 HB ILE 2 HB ILE 2 3.236 -5.601 -0.198 13 HG12 ILE 2 HG12 ILE 2 2.452 -3.470 1.764 14 HG13 ILE 2 HG13 ILE 2 1.215 -4.297 0.824 15 HG21 ILE 2 HG21 ILE 2 4.946 -4.797 1.302 16 HG22 ILE 2 HG22 ILE 2 5.277 -4.218 -0.330 17 HG23 ILE 2 HG23 ILE 2 4.585 -3.126 0.869 18 HD11 ILE 2 HD11 ILE 2 2.263 -6.457 1.693 19 HD12 ILE 2 HD12 ILE 2 3.083 -5.427 2.868 20 HD13 ILE 2 HD13 ILE 2 1.321 -5.481 2.820 21 H SER 3 H SER 3 2.601 -5.820 -2.587 22 HA SER 3 HA SER 3 -0.090 -5.440 -3.505 23 HB2 SER 3 HB2 SER 3 1.463 -8.005 -3.777 24 HB3 SER 3 HB3 SER 3 0.260 -7.323 -4.872 25 HG SER 3 HG SER 3 2.194 -6.893 -5.803 26 H ASP 4 H ASP 4 -1.539 -7.530 -3.432 27 HA ASP 4 HA ASP 4 -2.324 -7.856 -0.725 28 HB2 ASP 4 HB2 ASP 4 -3.891 -7.915 -2.664 29 HB3 ASP 4 HB3 ASP 4 -3.205 -9.470 -3.127 30 H GLU 5 H GLU 5 -0.778 -10.026 -3.071 31 HA GLU 5 HA GLU 5 -0.679 -12.316 -1.478 32 HB2 GLU 5 HB2 GLU 5 1.228 -12.998 -2.934 33 HB3 GLU 5 HB3 GLU 5 -0.187 -12.457 -3.826 34 HG2 GLU 5 HG2 GLU 5 0.994 -10.170 -3.878 35 HG3 GLU 5 HG3 GLU 5 2.440 -11.081 -3.448 36 H GLN 6 H GLN 6 1.634 -9.647 -1.790 37 HA GLN 6 HA GLN 6 3.592 -10.724 -0.066 38 HB2 GLN 6 HB2 GLN 6 3.055 -7.800 -0.600 39 HB3 GLN 6 HB3 GLN 6 4.565 -8.516 -0.052 40 HG2 GLN 6 HG2 GLN 6 4.615 -9.793 -2.219 41 HG3 GLN 6 HG3 GLN 6 3.271 -8.783 -2.748 42 HE21 GLN 6 HE21 GLN 6 5.159 -8.491 -4.381 43 HE22 GLN 6 HE22 GLN 6 6.147 -7.101 -4.105 44 H LEU 7 H LEU 7 0.860 -8.545 0.496 45 HA LEU 7 HA LEU 7 1.405 -7.973 3.192 46 HB2 LEU 7 HB2 LEU 7 -0.154 -6.641 1.949 47 HB3 LEU 7 HB3 LEU 7 -1.188 -8.039 1.662 48 HG LEU 7 HG LEU 7 -1.445 -8.082 4.237 49 HD11 LEU 7 HD11 LEU 7 -1.045 -6.120 5.428 50 HD12 LEU 7 HD12 LEU 7 -0.829 -5.162 3.964 51 HD13 LEU 7 HD13 LEU 7 0.407 -6.322 4.449 52 HD21 LEU 7 HD21 LEU 7 -2.976 -7.125 2.223 53 HD22 LEU 7 HD22 LEU 7 -2.796 -5.678 3.215 54 HD23 LEU 7 HD23 LEU 7 -3.468 -7.151 3.916 55 H ASN 8 H ASN 8 -0.826 -10.364 1.772 56 HA ASN 8 HA ASN 8 -1.673 -11.528 4.158 57 HB2 ASN 8 HB2 ASN 8 -2.610 -11.886 1.817 58 HB3 ASN 8 HB3 ASN 8 -1.305 -13.043 1.574 59 HD21 ASN 8 HD21 ASN 8 -3.698 -14.041 1.268 60 HD22 ASN 8 HD22 ASN 8 -4.191 -14.994 2.623 61 H SER 9 H SER 9 0.992 -12.492 2.008 62 HA SER 9 HA SER 9 1.863 -14.724 3.415 63 HB2 SER 9 HB2 SER 9 3.991 -14.442 2.269 64 HB3 SER 9 HB3 SER 9 2.674 -14.063 1.159 65 HG SER 9 HG SER 9 4.632 -12.562 1.449 66 H LEU 10 H LEU 10 2.896 -11.339 3.749 67 HA LEU 10 HA LEU 10 4.775 -11.773 5.794 68 HB2 LEU 10 HB2 LEU 10 4.878 -9.729 4.628 69 HB3 LEU 10 HB3 LEU 10 3.183 -9.371 4.951 70 HG LEU 10 HG LEU 10 3.787 -9.087 7.363 71 HD11 LEU 10 HD11 LEU 10 6.126 -8.773 7.943 72 HD12 LEU 10 HD12 LEU 10 6.606 -9.200 6.301 73 HD13 LEU 10 HD13 LEU 10 5.848 -10.407 7.339 74 HD21 LEU 10 HD21 LEU 10 3.644 -6.980 6.651 75 HD22 LEU 10 HD22 LEU 10 4.438 -7.359 5.121 76 HD23 LEU 10 HD23 LEU 10 5.405 -7.000 6.552 77 H ALA 11 H ALA 11 1.306 -11.224 5.859 78 HA ALA 11 HA ALA 11 1.029 -10.738 8.618 79 HB1 ALA 11 HB1 ALA 11 -0.985 -10.261 7.797 80 HB2 ALA 11 HB2 ALA 11 -0.721 -11.258 6.365 81 HB3 ALA 11 HB3 ALA 11 -1.314 -11.993 7.854 82 H ILE 12 H ILE 12 0.523 -13.751 6.775 83 HA ILE 12 HA ILE 12 0.093 -15.385 9.027 84 HB ILE 12 HB ILE 12 0.597 -17.286 7.508 85 HG12 ILE 12 HG12 ILE 12 1.186 -15.083 5.520 86 HG13 ILE 12 HG13 ILE 12 2.351 -16.231 6.168 87 HG21 ILE 12 HG21 ILE 12 -1.336 -17.025 6.162 88 HG22 ILE 12 HG22 ILE 12 -1.632 -16.122 7.647 89 HG23 ILE 12 HG23 ILE 12 -1.187 -15.268 6.170 90 HD11 ILE 12 HD11 ILE 12 0.654 -17.978 5.157 91 HD12 ILE 12 HD12 ILE 12 0.247 -16.611 4.119 92 HD13 ILE 12 HD13 ILE 12 1.903 -17.214 4.173 93 H THR 13 H THR 13 3.008 -14.414 7.332 94 HA THR 13 HA THR 13 4.777 -16.278 8.493 95 HB THR 13 HB THR 13 5.347 -13.501 7.440 96 HG1 THR 13 HG1 THR 13 5.761 -14.539 5.529 97 HG21 THR 13 HG21 THR 13 7.424 -13.771 8.201 98 HG22 THR 13 HG22 THR 13 7.584 -15.180 7.153 99 HG23 THR 13 HG23 THR 13 7.032 -15.376 8.816 100 H PHE 14 H PHE 14 4.251 -12.841 9.305 101 HA PHE 14 HA PHE 14 5.842 -12.841 11.614 102 HB2 PHE 14 HB2 PHE 14 3.774 -11.062 10.452 103 HB3 PHE 14 HB3 PHE 14 4.086 -10.875 12.175 104 HD1 PHE 14 HD1 PHE 14 5.267 -8.905 12.406 105 HD2 PHE 14 HD2 PHE 14 6.407 -11.668 9.376 106 HE1 PHE 14 HE1 PHE 14 7.241 -7.527 11.898 107 HE2 PHE 14 HE2 PHE 14 8.384 -10.296 8.864 108 HZ PHE 14 HZ PHE 14 8.803 -8.223 10.126 109 H GLY 15 H GLY 15 2.431 -13.580 11.123 110 HA2 GLY 15 HA2 GLY 15 1.670 -13.666 13.837 111 HA3 GLY 15 HA3 GLY 15 0.847 -14.483 12.517 112 H ILE 16 H ILE 16 2.520 -16.343 11.639 113 HA ILE 16 HA ILE 16 2.374 -18.368 13.573 114 HB ILE 16 HB ILE 16 4.064 -18.285 11.071 115 HG12 ILE 16 HG12 ILE 16 1.453 -19.733 11.378 116 HG13 ILE 16 HG13 ILE 16 1.469 -18.017 10.985 117 HG21 ILE 16 HG21 ILE 16 4.865 -19.997 12.571 118 HG22 ILE 16 HG22 ILE 16 3.227 -20.601 12.808 119 HG23 ILE 16 HG23 ILE 16 4.002 -20.751 11.231 120 HD11 ILE 16 HD11 ILE 16 1.277 -19.266 8.963 121 HD12 ILE 16 HD12 ILE 16 2.888 -18.550 9.018 122 HD13 ILE 16 HD13 ILE 16 2.670 -20.261 9.385 123 H VAL 17 H VAL 17 5.260 -16.738 12.251 124 HA VAL 17 HA VAL 17 7.183 -17.927 13.833 125 HB VAL 17 HB VAL 17 7.136 -15.058 12.887 126 HG11 VAL 17 HG11 VAL 17 8.909 -14.955 14.294 127 HG12 VAL 17 HG12 VAL 17 9.174 -16.699 14.265 128 HG13 VAL 17 HG13 VAL 17 9.733 -15.698 12.924 129 HG21 VAL 17 HG21 VAL 17 8.828 -16.935 11.452 130 HG22 VAL 17 HG22 VAL 17 7.121 -17.370 11.377 131 HG23 VAL 17 HG23 VAL 17 7.649 -15.777 10.836 132 H MET 18 H MET 18 5.403 -14.916 14.511 133 HA MET 18 HA MET 18 6.544 -14.339 16.979 134 HB2 MET 18 HB2 MET 18 5.101 -12.776 15.755 135 HB3 MET 18 HB3 MET 18 3.711 -13.806 16.066 136 HG2 MET 18 HG2 MET 18 3.518 -13.140 18.221 137 HG3 MET 18 HG3 MET 18 5.251 -12.884 18.414 138 HE1 MET 18 HE1 MET 18 6.238 -11.123 18.686 139 HE2 MET 18 HE2 MET 18 6.291 -9.888 17.429 140 HE3 MET 18 HE3 MET 18 5.460 -9.562 18.950 141 H MET 19 H MET 19 3.639 -16.255 16.250 142 HA MET 19 HA MET 19 2.861 -16.847 18.847 143 HB2 MET 19 HB2 MET 19 1.851 -17.451 16.454 144 HB3 MET 19 HB3 MET 19 2.627 -18.991 16.796 145 HG2 MET 19 HG2 MET 19 0.943 -17.819 18.928 146 HG3 MET 19 HG3 MET 19 0.127 -18.453 17.500 147 HE1 MET 19 HE1 MET 19 -0.105 -19.031 20.393 148 HE2 MET 19 HE2 MET 19 -0.696 -20.672 20.130 149 HE3 MET 19 HE3 MET 19 0.762 -20.401 21.086 150 H THR 20 H THR 20 5.085 -18.640 16.732 151 HA THR 20 HA THR 20 5.652 -20.739 18.492 152 HB THR 20 HB THR 20 7.913 -19.851 16.825 153 HG1 THR 20 HG1 THR 20 6.873 -20.038 14.903 154 HG21 THR 20 HG21 THR 20 6.818 -22.256 17.853 155 HG22 THR 20 HG22 THR 20 8.311 -22.039 16.940 156 HG23 THR 20 HG23 THR 20 6.801 -22.372 16.094 157 H LEU 21 H LEU 21 7.329 -17.643 18.008 158 HA LEU 21 HA LEU 21 9.405 -18.052 19.834 159 HB2 LEU 21 HB2 LEU 21 9.415 -16.239 18.222 160 HB3 LEU 21 HB3 LEU 21 8.035 -15.491 19.024 161 HG LEU 21 HG LEU 21 9.429 -15.066 21.001 162 HD11 LEU 21 HD11 LEU 21 11.629 -16.254 19.318 163 HD12 LEU 21 HD12 LEU 21 10.989 -16.895 20.831 164 HD13 LEU 21 HD13 LEU 21 11.872 -15.369 20.825 165 HD21 LEU 21 HD21 LEU 21 10.966 -13.990 18.679 166 HD22 LEU 21 HD22 LEU 21 10.434 -13.176 20.151 167 HD23 LEU 21 HD23 LEU 21 9.269 -13.553 18.880 168 H ILE 22 H ILE 22 6.141 -16.787 20.296 169 HA ILE 22 HA ILE 22 6.476 -16.025 23.003 170 HB ILE 22 HB ILE 22 3.947 -16.776 21.532 171 HG12 ILE 22 HG12 ILE 22 4.772 -13.976 22.196 172 HG13 ILE 22 HG13 ILE 22 5.490 -14.771 20.799 173 HG21 ILE 22 HG21 ILE 22 4.457 -15.650 24.251 174 HG22 ILE 22 HG22 ILE 22 2.995 -15.202 23.375 175 HG23 ILE 22 HG23 ILE 22 3.315 -16.896 23.748 176 HD11 ILE 22 HD11 ILE 22 3.387 -15.006 19.745 177 HD12 ILE 22 HD12 ILE 22 2.525 -14.539 21.212 178 HD13 ILE 22 HD13 ILE 22 3.484 -13.347 20.335 179 H VAL 23 H VAL 23 5.348 -18.995 21.452 180 HA VAL 23 HA VAL 23 4.619 -20.307 23.871 181 HB VAL 23 HB VAL 23 5.299 -21.499 21.179 182 HG11 VAL 23 HG11 VAL 23 5.370 -23.367 22.466 183 HG12 VAL 23 HG12 VAL 23 4.370 -22.662 23.739 184 HG13 VAL 23 HG13 VAL 23 3.621 -23.268 22.261 185 HG21 VAL 23 HG21 VAL 23 2.525 -21.585 21.803 186 HG22 VAL 23 HG22 VAL 23 3.092 -19.929 22.014 187 HG23 VAL 23 HG23 VAL 23 3.330 -20.752 20.473 188 H ILE 24 H ILE 24 7.543 -20.215 21.904 189 HA ILE 24 HA ILE 24 8.913 -22.256 23.345 190 HB ILE 24 HB ILE 24 10.022 -20.060 21.592 191 HG12 ILE 24 HG12 ILE 24 9.827 -22.927 20.775 192 HG13 ILE 24 HG13 ILE 24 8.370 -21.941 20.727 193 HG21 ILE 24 HG21 ILE 24 11.897 -20.728 22.721 194 HG22 ILE 24 HG22 ILE 24 11.279 -22.354 23.008 195 HG23 ILE 24 HG23 ILE 24 11.887 -21.911 21.413 196 HD11 ILE 24 HD11 ILE 24 8.993 -21.200 18.744 197 HD12 ILE 24 HD12 ILE 24 10.397 -20.439 19.492 198 HD13 ILE 24 HD13 ILE 24 10.516 -22.081 18.859 199 H TYR 25 H TYR 25 8.988 -18.708 23.445 200 HA TYR 25 HA TYR 25 10.975 -18.528 25.455 201 HB2 TYR 25 HB2 TYR 25 10.241 -16.694 23.857 202 HB3 TYR 25 HB3 TYR 25 8.839 -16.470 24.897 203 HD1 TYR 25 HD1 TYR 25 8.971 -14.850 26.532 204 HD2 TYR 25 HD2 TYR 25 12.563 -16.682 25.174 205 HE1 TYR 25 HE1 TYR 25 10.277 -13.347 27.977 206 HE2 TYR 25 HE2 TYR 25 13.878 -15.186 26.615 207 HH TYR 25 HH TYR 25 13.688 -13.786 28.477 208 H HIS 26 H HIS 26 7.443 -18.568 25.542 209 HA HIS 26 HA HIS 26 7.223 -18.084 28.335 210 HB2 HIS 26 HB2 HIS 26 5.388 -17.709 26.678 211 HB3 HIS 26 HB3 HIS 26 5.223 -19.456 26.527 212 HD1 HIS 26 HD1 HIS 26 2.904 -19.652 27.514 213 HD2 HIS 26 HD2 HIS 26 5.571 -17.678 30.014 214 HE1 HIS 26 HE1 HIS 26 1.714 -19.420 29.717 215 H ALA 27 H ALA 27 7.301 -21.013 26.358 216 HA ALA 27 HA ALA 27 6.746 -22.847 28.426 217 HB1 ALA 27 HB1 ALA 27 6.546 -23.465 26.090 218 HB2 ALA 27 HB2 ALA 27 8.282 -23.252 25.863 219 HB3 ALA 27 HB3 ALA 27 7.681 -24.539 26.908 220 H VAL 28 H VAL 28 9.843 -21.794 27.014 221 HA VAL 28 HA VAL 28 11.474 -23.316 28.745 222 HB VAL 28 HB VAL 28 12.146 -20.774 27.255 223 HG11 VAL 28 HG11 VAL 28 13.802 -21.051 28.911 224 HG12 VAL 28 HG12 VAL 28 13.862 -22.798 28.669 225 HG13 VAL 28 HG13 VAL 28 14.495 -21.713 27.431 226 HG21 VAL 28 HG21 VAL 28 11.322 -22.831 25.960 227 HG22 VAL 28 HG22 VAL 28 12.845 -22.096 25.457 228 HG23 VAL 28 HG23 VAL 28 12.854 -23.570 26.426 229 H ASP 29 H ASP 29 10.272 -19.994 28.903 230 HA ASP 29 HA ASP 29 11.733 -19.239 31.206 231 HB2 ASP 29 HB2 ASP 29 9.251 -18.162 29.884 232 HB3 ASP 29 HB3 ASP 29 9.871 -17.467 31.379 233 H SER 30 H SER 30 8.495 -20.587 30.744 234 HA SER 30 HA SER 30 7.719 -20.437 33.465 235 HB2 SER 30 HB2 SER 30 5.915 -21.994 32.816 236 HB3 SER 30 HB3 SER 30 6.071 -20.665 31.667 237 HG SER 30 HG SER 30 5.867 -22.809 30.723 238 H THR 31 H THR 31 9.236 -22.961 31.515 239 HA THR 31 HA THR 31 9.191 -24.939 33.569 240 HB THR 31 HB THR 31 10.938 -24.788 31.104 241 HG1 THR 31 HG1 THR 31 8.364 -25.871 31.605 242 HG21 THR 31 HG21 THR 31 10.634 -26.779 33.265 243 HG22 THR 31 HG22 THR 31 12.003 -26.460 32.200 244 HG23 THR 31 HG23 THR 31 10.641 -27.418 31.622 245 H MET 32 H MET 32 11.547 -22.554 32.473 246 HA MET 32 HA MET 32 13.680 -23.490 34.109 247 HB2 MET 32 HB2 MET 32 13.897 -22.037 32.050 248 HB3 MET 32 HB3 MET 32 13.328 -20.693 33.031 249 HG2 MET 32 HG2 MET 32 15.657 -20.510 33.023 250 HG3 MET 32 HG3 MET 32 15.252 -21.200 34.593 251 HE1 MET 32 HE1 MET 32 17.397 -21.865 31.252 252 HE2 MET 32 HE2 MET 32 17.853 -20.975 32.705 253 HE3 MET 32 HE3 MET 32 18.589 -22.542 32.362 254 H SER 33 H SER 33 11.239 -20.950 34.472 255 HA SER 33 HA SER 33 11.628 -21.038 37.359 256 HB2 SER 33 HB2 SER 33 12.223 -18.682 35.632 257 HB3 SER 33 HB3 SER 33 11.442 -18.386 37.185 258 HG SER 33 HG SER 33 13.854 -18.446 37.082 259 HA PRO 34 HA PRO 34 7.274 -20.548 37.550 260 HB2 PRO 34 HB2 PRO 34 6.951 -19.030 39.778 261 HB3 PRO 34 HB3 PRO 34 7.448 -20.725 39.834 262 HG2 PRO 34 HG2 PRO 34 9.123 -18.252 40.030 263 HG3 PRO 34 HG3 PRO 34 9.217 -19.745 40.982 264 HD2 PRO 34 HD2 PRO 34 10.899 -19.220 38.926 265 HD3 PRO 34 HD3 PRO 34 10.383 -20.867 39.340 266 H LYS 35 H LYS 35 5.515 -18.795 37.946 267 HA LYS 35 HA LYS 35 6.122 -16.591 36.143 268 HB2 LYS 35 HB2 LYS 35 3.513 -17.546 37.334 269 HB3 LYS 35 HB3 LYS 35 3.660 -16.205 36.206 270 HG2 LYS 35 HG2 LYS 35 4.216 -17.592 34.431 271 HG3 LYS 35 HG3 LYS 35 4.694 -18.919 35.491 272 HD2 LYS 35 HD2 LYS 35 2.602 -19.506 34.506 273 HD3 LYS 35 HD3 LYS 35 2.295 -19.100 36.196 274 HE2 LYS 35 HE2 LYS 35 0.583 -18.064 34.929 275 HE3 LYS 35 HE3 LYS 35 1.694 -16.784 35.412 276 HZ1 LYS 35 HZ1 LYS 35 2.719 -17.513 33.053 277 HZ2 LYS 35 HZ2 LYS 35 1.602 -16.258 33.249 278 HZ3 LYS 35 HZ3 LYS 35 1.074 -17.792 32.771 279 H ASN 36 H ASN 36 6.777 -14.708 36.924 280 HA ASN 36 HA ASN 36 6.858 -13.994 39.607 281 HB2 ASN 36 HB2 ASN 36 6.923 -12.310 37.103 282 HB3 ASN 36 HB3 ASN 36 7.158 -11.629 38.710 283 HD21 ASN 36 HD21 ASN 36 9.072 -11.465 36.719 284 HD22 ASN 36 HD22 ASN 36 10.443 -12.411 37.178 285 H ARG 37 H ARG 37 4.481 -13.111 37.123 286 HA ARG 37 HA ARG 37 2.620 -12.394 39.286 287 HB2 ARG 37 HB2 ARG 37 1.716 -10.601 37.800 288 HB3 ARG 37 HB3 ARG 37 3.358 -10.306 38.358 289 HG2 ARG 37 HG2 ARG 37 4.206 -11.130 36.193 290 HG3 ARG 37 HG3 ARG 37 2.540 -11.313 35.642 291 HD2 ARG 37 HD2 ARG 37 2.975 -9.235 34.815 292 HD3 ARG 37 HD3 ARG 37 2.392 -8.788 36.418 293 HE ARG 37 HE ARG 37 5.049 -9.046 36.800 294 HH11 ARG 37 HH11 ARG 37 3.148 -7.308 34.457 295 HH12 ARG 37 HH12 ARG 37 4.317 -6.045 34.253 296 HH21 ARG 37 HH21 ARG 37 6.595 -7.390 36.539 297 HH22 ARG 37 HH22 ARG 37 6.278 -6.094 35.437 298 H LEU 38 H LEU 38 0.792 -13.514 39.205 299 HA LEU 38 HA LEU 38 0.226 -15.498 37.372 300 HB2 LEU 38 HB2 LEU 38 -1.909 -15.673 38.361 301 HB3 LEU 38 HB3 LEU 38 -0.804 -15.164 39.635 302 HG LEU 38 HG LEU 38 -2.563 -13.223 38.156 303 HD11 LEU 38 HD11 LEU 38 -4.114 -13.371 40.041 304 HD12 LEU 38 HD12 LEU 38 -3.171 -14.700 40.713 305 HD13 LEU 38 HD13 LEU 38 -4.002 -14.901 39.171 306 HD21 LEU 38 HD21 LEU 38 -2.211 -12.166 40.564 307 HD22 LEU 38 HD22 LEU 38 -1.053 -11.925 39.256 308 HD23 LEU 38 HD23 LEU 38 -0.742 -13.141 40.497 309 H GLU 39 H GLU 39 -1.574 -15.661 35.831 310 HA GLU 39 HA GLU 39 -1.990 -13.127 34.384 311 HB2 GLU 39 HB2 GLU 39 -1.539 -15.916 33.334 312 HB3 GLU 39 HB3 GLU 39 -2.213 -14.634 32.338 313 HG2 GLU 39 HG2 GLU 39 0.385 -14.258 33.770 314 HG3 GLU 39 HG3 GLU 39 0.311 -15.103 32.225 Start of MODEL 2 1 H1 MET 1 H MET 1 3.520 -1.749 -2.397 2 HA MET 1 HA MET 1 3.877 -1.245 -5.273 3 HB2 MET 1 HB2 MET 1 5.980 -1.824 -3.204 4 HB3 MET 1 HB3 MET 1 6.241 -2.222 -4.897 5 HG2 MET 1 HG2 MET 1 5.483 0.533 -3.977 6 HG3 MET 1 HG3 MET 1 7.155 -0.012 -4.097 7 HE1 MET 1 HE1 MET 1 8.280 1.142 -5.600 8 HE2 MET 1 HE2 MET 1 8.444 -0.232 -6.693 9 HE3 MET 1 HE3 MET 1 7.983 1.348 -7.327 10 H ILE 2 H ILE 2 4.329 -3.643 -2.680 11 HA ILE 2 HA ILE 2 4.364 -5.882 -4.421 12 HB ILE 2 HB ILE 2 3.982 -7.225 -2.364 13 HG12 ILE 2 HG12 ILE 2 4.141 -4.652 -0.817 14 HG13 ILE 2 HG13 ILE 2 2.586 -5.308 -1.317 15 HG21 ILE 2 HG21 ILE 2 6.172 -7.111 -1.970 16 HG22 ILE 2 HG22 ILE 2 6.206 -5.773 -3.118 17 HG23 ILE 2 HG23 ILE 2 6.060 -5.449 -1.391 18 HD11 ILE 2 HD11 ILE 2 4.589 -6.865 0.289 19 HD12 ILE 2 HD12 ILE 2 3.310 -5.885 1.007 20 HD13 ILE 2 HD13 ILE 2 2.899 -7.261 -0.018 21 H SER 3 H SER 3 2.744 -7.642 -4.374 22 HA SER 3 HA SER 3 0.147 -6.595 -4.988 23 HB2 SER 3 HB2 SER 3 1.307 -8.537 -6.167 24 HB3 SER 3 HB3 SER 3 0.881 -9.515 -4.762 25 HG SER 3 HG SER 3 -1.047 -8.024 -6.193 26 H ASP 4 H ASP 4 -1.792 -8.011 -4.147 27 HA ASP 4 HA ASP 4 -2.014 -7.467 -1.363 28 HB2 ASP 4 HB2 ASP 4 -3.798 -8.757 -3.405 29 HB3 ASP 4 HB3 ASP 4 -4.223 -8.809 -1.697 30 H GLU 5 H GLU 5 -1.791 -10.464 -3.253 31 HA GLU 5 HA GLU 5 -2.059 -12.284 -1.162 32 HB2 GLU 5 HB2 GLU 5 -0.838 -13.868 -2.626 33 HB3 GLU 5 HB3 GLU 5 -2.125 -13.013 -3.464 34 HG2 GLU 5 HG2 GLU 5 -0.072 -11.379 -4.010 35 HG3 GLU 5 HG3 GLU 5 0.792 -12.907 -3.857 36 H GLN 6 H GLN 6 0.820 -10.639 -2.393 37 HA GLN 6 HA GLN 6 2.676 -11.994 -0.740 38 HB2 GLN 6 HB2 GLN 6 2.962 -9.221 -1.901 39 HB3 GLN 6 HB3 GLN 6 4.258 -10.302 -1.404 40 HG2 GLN 6 HG2 GLN 6 3.239 -11.897 -3.189 41 HG3 GLN 6 HG3 GLN 6 2.517 -10.418 -3.820 42 HE21 GLN 6 HE21 GLN 6 5.431 -12.210 -3.348 43 HE22 GLN 6 HE22 GLN 6 6.458 -11.200 -4.302 44 H LEU 7 H LEU 7 0.955 -8.915 -0.400 45 HA LEU 7 HA LEU 7 2.176 -8.102 2.000 46 HB2 LEU 7 HB2 LEU 7 0.880 -6.611 0.545 47 HB3 LEU 7 HB3 LEU 7 -0.592 -7.480 0.976 48 HG LEU 7 HG LEU 7 0.023 -6.765 3.406 49 HD11 LEU 7 HD11 LEU 7 1.103 -4.479 3.351 50 HD12 LEU 7 HD12 LEU 7 1.653 -4.881 1.724 51 HD13 LEU 7 HD13 LEU 7 2.177 -5.855 3.098 52 HD21 LEU 7 HD21 LEU 7 -0.914 -4.608 1.536 53 HD22 LEU 7 HD22 LEU 7 -1.402 -4.904 3.204 54 HD23 LEU 7 HD23 LEU 7 -1.902 -6.014 1.928 55 H ASN 8 H ASN 8 -0.946 -9.729 1.445 56 HA ASN 8 HA ASN 8 -1.664 -10.033 4.126 57 HB2 ASN 8 HB2 ASN 8 -2.346 -11.709 1.705 58 HB3 ASN 8 HB3 ASN 8 -3.096 -11.930 3.283 59 HD21 ASN 8 HD21 ASN 8 -4.524 -11.323 0.976 60 HD22 ASN 8 HD22 ASN 8 -5.212 -9.747 1.149 61 H SER 9 H SER 9 0.040 -12.290 1.969 62 HA SER 9 HA SER 9 0.358 -14.397 3.751 63 HB2 SER 9 HB2 SER 9 0.886 -14.554 1.349 64 HB3 SER 9 HB3 SER 9 2.284 -13.506 1.590 65 HG SER 9 HG SER 9 2.284 -16.077 1.749 66 H LEU 10 H LEU 10 2.532 -11.649 3.146 67 HA LEU 10 HA LEU 10 4.505 -12.384 5.009 68 HB2 LEU 10 HB2 LEU 10 3.775 -9.951 3.510 69 HB3 LEU 10 HB3 LEU 10 4.732 -9.700 4.969 70 HG LEU 10 HG LEU 10 6.157 -9.804 3.007 71 HD11 LEU 10 HD11 LEU 10 7.635 -10.661 4.420 72 HD12 LEU 10 HD12 LEU 10 7.142 -12.272 3.899 73 HD13 LEU 10 HD13 LEU 10 6.367 -11.522 5.294 74 HD21 LEU 10 HD21 LEU 10 5.049 -11.076 1.419 75 HD22 LEU 10 HD22 LEU 10 4.715 -12.387 2.551 76 HD23 LEU 10 HD23 LEU 10 6.350 -12.150 1.932 77 H ALA 11 H ALA 11 1.523 -10.555 5.329 78 HA ALA 11 HA ALA 11 1.967 -9.498 7.897 79 HB1 ALA 11 HB1 ALA 11 -0.518 -10.108 6.332 80 HB2 ALA 11 HB2 ALA 11 -0.595 -9.467 7.973 81 HB3 ALA 11 HB3 ALA 11 0.203 -8.541 6.702 82 H ILE 12 H ILE 12 0.115 -12.389 6.924 83 HA ILE 12 HA ILE 12 -0.392 -13.290 9.542 84 HB ILE 12 HB ILE 12 -0.870 -15.490 8.491 85 HG12 ILE 12 HG12 ILE 12 0.043 -14.083 5.972 86 HG13 ILE 12 HG13 ILE 12 0.836 -15.453 6.742 87 HG21 ILE 12 HG21 ILE 12 -2.839 -14.794 7.422 88 HG22 ILE 12 HG22 ILE 12 -2.468 -13.508 8.568 89 HG23 ILE 12 HG23 ILE 12 -2.103 -13.295 6.856 90 HD11 ILE 12 HD11 ILE 12 -1.561 -16.535 6.377 91 HD12 ILE 12 HD12 ILE 12 -1.590 -15.360 5.062 92 HD13 ILE 12 HD13 ILE 12 -0.304 -16.564 5.141 93 H THR 13 H THR 13 2.279 -13.842 7.329 94 HA THR 13 HA THR 13 3.508 -15.979 8.669 95 HB THR 13 HB THR 13 4.776 -13.802 6.997 96 HG1 THR 13 HG1 THR 13 4.073 -16.471 6.292 97 HG21 THR 13 HG21 THR 13 6.725 -14.656 7.688 98 HG22 THR 13 HG22 THR 13 6.301 -16.105 6.776 99 HG23 THR 13 HG23 THR 13 5.931 -16.005 8.497 100 H PHE 14 H PHE 14 4.363 -12.514 8.783 101 HA PHE 14 HA PHE 14 6.234 -12.729 10.850 102 HB2 PHE 14 HB2 PHE 14 5.656 -10.740 9.245 103 HB3 PHE 14 HB3 PHE 14 4.558 -10.264 10.536 104 HD1 PHE 14 HD1 PHE 14 5.345 -8.845 12.159 105 HD2 PHE 14 HD2 PHE 14 8.106 -11.308 10.055 106 HE1 PHE 14 HE1 PHE 14 7.209 -7.761 13.344 107 HE2 PHE 14 HE2 PHE 14 9.974 -10.228 11.237 108 HZ PHE 14 HZ PHE 14 9.527 -8.452 12.883 109 H GLY 15 H GLY 15 2.757 -12.034 10.951 110 HA2 GLY 15 HA2 GLY 15 2.507 -11.486 13.671 111 HA3 GLY 15 HA3 GLY 15 1.238 -12.170 12.666 112 H ILE 16 H ILE 16 2.024 -14.624 12.046 113 HA ILE 16 HA ILE 16 1.555 -16.116 14.360 114 HB ILE 16 HB ILE 16 2.799 -17.036 11.766 115 HG12 ILE 16 HG12 ILE 16 -0.051 -17.489 12.577 116 HG13 ILE 16 HG13 ILE 16 0.417 -15.939 11.886 117 HG21 ILE 16 HG21 ILE 16 2.138 -18.432 14.251 118 HG22 ILE 16 HG22 ILE 16 1.462 -19.175 12.803 119 HG23 ILE 16 HG23 ILE 16 3.201 -18.910 12.927 120 HD11 ILE 16 HD11 ILE 16 0.061 -16.858 9.903 121 HD12 ILE 16 HD12 ILE 16 1.526 -17.803 10.171 122 HD13 ILE 16 HD13 ILE 16 -0.048 -18.477 10.594 123 H VAL 17 H VAL 17 4.590 -15.720 12.533 124 HA VAL 17 HA VAL 17 6.264 -17.243 14.109 125 HB VAL 17 HB VAL 17 6.941 -14.645 12.721 126 HG11 VAL 17 HG11 VAL 17 9.252 -15.561 12.693 127 HG12 VAL 17 HG12 VAL 17 8.663 -15.177 14.311 128 HG13 VAL 17 HG13 VAL 17 8.710 -16.853 13.764 129 HG21 VAL 17 HG21 VAL 17 7.005 -15.753 10.779 130 HG22 VAL 17 HG22 VAL 17 7.790 -17.158 11.501 131 HG23 VAL 17 HG23 VAL 17 6.038 -16.980 11.598 132 H MET 18 H MET 18 5.650 -13.743 14.431 133 HA MET 18 HA MET 18 7.199 -13.281 16.685 134 HB2 MET 18 HB2 MET 18 4.608 -11.960 15.864 135 HB3 MET 18 HB3 MET 18 5.700 -11.336 17.093 136 HG2 MET 18 HG2 MET 18 6.772 -11.887 14.376 137 HG3 MET 18 HG3 MET 18 5.774 -10.456 14.627 138 HE1 MET 18 HE1 MET 18 6.166 -8.633 16.002 139 HE2 MET 18 HE2 MET 18 6.794 -9.147 17.567 140 HE3 MET 18 HE3 MET 18 7.736 -8.050 16.556 141 H MET 19 H MET 19 3.767 -14.192 16.500 142 HA MET 19 HA MET 19 3.175 -14.164 19.210 143 HB2 MET 19 HB2 MET 19 1.606 -14.538 17.224 144 HB3 MET 19 HB3 MET 19 2.082 -16.229 17.308 145 HG2 MET 19 HG2 MET 19 1.219 -16.400 19.555 146 HG3 MET 19 HG3 MET 19 0.834 -14.681 19.566 147 HE1 MET 19 HE1 MET 19 0.307 -18.070 18.371 148 HE2 MET 19 HE2 MET 19 -1.426 -18.187 18.069 149 HE3 MET 19 HE3 MET 19 -0.332 -17.737 16.761 150 H THR 20 H THR 20 4.463 -16.825 17.242 151 HA THR 20 HA THR 20 4.533 -18.776 19.244 152 HB THR 20 HB THR 20 6.767 -19.267 17.621 153 HG1 THR 20 HG1 THR 20 5.934 -18.835 15.533 154 HG21 THR 20 HG21 THR 20 5.600 -21.136 17.029 155 HG22 THR 20 HG22 THR 20 4.098 -20.249 16.767 156 HG23 THR 20 HG23 THR 20 4.621 -20.635 18.407 157 H LEU 21 H LEU 21 7.205 -16.711 18.085 158 HA LEU 21 HA LEU 21 9.147 -17.486 19.880 159 HB2 LEU 21 HB2 LEU 21 8.598 -15.024 18.331 160 HB3 LEU 21 HB3 LEU 21 9.772 -14.898 19.639 161 HG LEU 21 HG LEU 21 10.885 -15.284 17.519 162 HD11 LEU 21 HD11 LEU 21 11.711 -16.307 19.681 163 HD12 LEU 21 HD12 LEU 21 12.317 -17.029 18.191 164 HD13 LEU 21 HD13 LEU 21 11.040 -17.832 19.104 165 HD21 LEU 21 HD21 LEU 21 9.069 -17.673 17.385 166 HD22 LEU 21 HD22 LEU 21 10.567 -17.577 16.458 167 HD23 LEU 21 HD23 LEU 21 9.289 -16.389 16.197 168 H ILE 22 H ILE 22 6.599 -15.072 20.305 169 HA ILE 22 HA ILE 22 7.453 -14.134 22.830 170 HB ILE 22 HB ILE 22 4.676 -14.148 21.642 171 HG12 ILE 22 HG12 ILE 22 6.419 -11.728 21.814 172 HG13 ILE 22 HG13 ILE 22 6.746 -12.906 20.548 173 HG21 ILE 22 HG21 ILE 22 4.341 -13.790 23.920 174 HG22 ILE 22 HG22 ILE 22 5.823 -12.850 24.087 175 HG23 ILE 22 HG23 ILE 22 4.430 -12.161 23.253 176 HD11 ILE 22 HD11 ILE 22 4.222 -11.340 20.991 177 HD12 ILE 22 HD12 ILE 22 5.339 -11.238 19.630 178 HD13 ILE 22 HD13 ILE 22 4.353 -12.683 19.855 179 H VAL 23 H VAL 23 5.237 -16.710 21.856 180 HA VAL 23 HA VAL 23 4.353 -17.345 24.480 181 HB VAL 23 HB VAL 23 4.376 -19.072 22.000 182 HG11 VAL 23 HG11 VAL 23 2.297 -19.949 23.496 183 HG12 VAL 23 HG12 VAL 23 3.901 -20.684 23.498 184 HG13 VAL 23 HG13 VAL 23 3.457 -19.529 24.755 185 HG21 VAL 23 HG21 VAL 23 2.984 -16.743 22.429 186 HG22 VAL 23 HG22 VAL 23 2.532 -18.019 21.298 187 HG23 VAL 23 HG23 VAL 23 1.831 -17.986 22.916 188 H ILE 24 H ILE 24 6.929 -18.588 22.404 189 HA ILE 24 HA ILE 24 7.697 -20.700 24.148 190 HB ILE 24 HB ILE 24 9.282 -19.324 21.976 191 HG12 ILE 24 HG12 ILE 24 7.193 -20.411 21.207 192 HG13 ILE 24 HG13 ILE 24 8.631 -21.210 20.580 193 HG21 ILE 24 HG21 ILE 24 10.533 -21.560 22.027 194 HG22 ILE 24 HG22 ILE 24 10.878 -20.395 23.304 195 HG23 ILE 24 HG23 ILE 24 9.822 -21.769 23.627 196 HD11 ILE 24 HD11 ILE 24 7.925 -22.458 23.025 197 HD12 ILE 24 HD12 ILE 24 6.479 -22.330 22.024 198 HD13 ILE 24 HD13 ILE 24 7.918 -23.131 21.395 199 H TYR 25 H TYR 25 9.038 -17.463 23.533 200 HA TYR 25 HA TYR 25 11.139 -17.630 25.394 201 HB2 TYR 25 HB2 TYR 25 10.635 -15.878 23.506 202 HB3 TYR 25 HB3 TYR 25 9.798 -15.019 24.794 203 HD1 TYR 25 HD1 TYR 25 11.019 -13.384 25.854 204 HD2 TYR 25 HD2 TYR 25 13.066 -16.788 24.328 205 HE1 TYR 25 HE1 TYR 25 13.156 -12.430 26.610 206 HE2 TYR 25 HE2 TYR 25 15.209 -15.844 25.081 207 HH TYR 25 HH TYR 25 15.839 -14.057 27.057 208 H HIS 26 H HIS 26 7.823 -16.428 25.693 209 HA HIS 26 HA HIS 26 8.096 -15.536 28.377 210 HB2 HIS 26 HB2 HIS 26 6.331 -14.695 26.887 211 HB3 HIS 26 HB3 HIS 26 5.602 -16.298 26.843 212 HD1 HIS 26 HD1 HIS 26 6.852 -15.171 30.134 213 HD2 HIS 26 HD2 HIS 26 3.280 -15.121 28.012 214 HE1 HIS 26 HE1 HIS 26 5.074 -14.612 31.823 215 H ALA 27 H ALA 27 7.073 -18.561 26.895 216 HA ALA 27 HA ALA 27 6.064 -19.808 29.206 217 HB1 ALA 27 HB1 ALA 27 5.606 -20.666 26.984 218 HB2 ALA 27 HB2 ALA 27 7.313 -21.049 26.757 219 HB3 ALA 27 HB3 ALA 27 6.369 -21.910 27.973 220 H VAL 28 H VAL 28 9.278 -20.045 27.682 221 HA VAL 28 HA VAL 28 10.384 -21.672 29.730 222 HB VAL 28 HB VAL 28 11.353 -21.626 27.490 223 HG11 VAL 28 HG11 VAL 28 12.522 -18.926 28.036 224 HG12 VAL 28 HG12 VAL 28 12.336 -19.774 26.500 225 HG13 VAL 28 HG13 VAL 28 10.927 -19.078 27.301 226 HG21 VAL 28 HG21 VAL 28 12.713 -21.757 29.840 227 HG22 VAL 28 HG22 VAL 28 13.413 -22.095 28.257 228 HG23 VAL 28 HG23 VAL 28 13.612 -20.502 28.987 229 H ASP 29 H ASP 29 10.242 -18.204 29.180 230 HA ASP 29 HA ASP 29 12.125 -17.391 31.092 231 HB2 ASP 29 HB2 ASP 29 11.224 -15.864 29.407 232 HB3 ASP 29 HB3 ASP 29 9.628 -15.966 30.146 233 H SER 30 H SER 30 8.594 -17.750 31.374 234 HA SER 30 HA SER 30 8.515 -17.107 34.138 235 HB2 SER 30 HB2 SER 30 6.205 -17.864 34.063 236 HB3 SER 30 HB3 SER 30 6.556 -16.920 32.615 237 HG SER 30 HG SER 30 6.031 -19.638 32.892 238 H THR 31 H THR 31 8.372 -20.197 32.384 239 HA THR 31 HA THR 31 8.089 -21.921 34.526 240 HB THR 31 HB THR 31 9.697 -22.386 32.007 241 HG1 THR 31 HG1 THR 31 7.735 -23.313 31.274 242 HG21 THR 31 HG21 THR 31 10.345 -24.181 33.277 243 HG22 THR 31 HG22 THR 31 8.838 -24.815 32.615 244 HG23 THR 31 HG23 THR 31 8.876 -24.161 34.252 245 H MET 32 H MET 32 11.013 -20.404 33.263 246 HA MET 32 HA MET 32 12.821 -21.858 34.911 247 HB2 MET 32 HB2 MET 32 13.329 -20.561 32.755 248 HB3 MET 32 HB3 MET 32 13.346 -19.123 33.767 249 HG2 MET 32 HG2 MET 32 15.090 -20.262 35.171 250 HG3 MET 32 HG3 MET 32 15.168 -21.505 33.924 251 HE1 MET 32 HE1 MET 32 15.843 -17.682 34.754 252 HE2 MET 32 HE2 MET 32 17.028 -18.869 35.297 253 HE3 MET 32 HE3 MET 32 17.461 -17.695 34.053 254 H SER 33 H SER 33 11.166 -18.755 35.214 255 HA SER 33 HA SER 33 12.490 -17.764 37.458 256 HB2 SER 33 HB2 SER 33 9.817 -17.320 36.220 257 HB3 SER 33 HB3 SER 33 10.057 -16.735 37.867 258 HG SER 33 HG SER 33 11.117 -15.136 37.040 259 HA PRO 34 HA PRO 34 11.190 -20.148 40.902 260 HB2 PRO 34 HB2 PRO 34 10.801 -18.258 42.812 261 HB3 PRO 34 HB3 PRO 34 12.405 -18.720 42.230 262 HG2 PRO 34 HG2 PRO 34 10.719 -16.366 41.468 263 HG3 PRO 34 HG3 PRO 34 12.460 -16.435 41.798 264 HD2 PRO 34 HD2 PRO 34 11.455 -16.391 39.284 265 HD3 PRO 34 HD3 PRO 34 12.954 -17.248 39.698 266 H LYS 35 H LYS 35 9.151 -17.344 40.184 267 HA LYS 35 HA LYS 35 6.898 -18.313 41.658 268 HB2 LYS 35 HB2 LYS 35 7.137 -16.160 39.550 269 HB3 LYS 35 HB3 LYS 35 5.673 -16.486 40.468 270 HG2 LYS 35 HG2 LYS 35 8.291 -15.769 41.757 271 HG3 LYS 35 HG3 LYS 35 7.080 -14.574 41.287 272 HD2 LYS 35 HD2 LYS 35 6.320 -16.904 43.008 273 HD3 LYS 35 HD3 LYS 35 7.095 -15.486 43.718 274 HE2 LYS 35 HE2 LYS 35 5.272 -14.155 42.457 275 HE3 LYS 35 HE3 LYS 35 4.439 -15.705 42.348 276 HZ1 LYS 35 HZ1 LYS 35 3.755 -14.398 44.287 277 HZ2 LYS 35 HZ2 LYS 35 5.339 -14.439 44.879 278 HZ3 LYS 35 HZ3 LYS 35 4.453 -15.872 44.736 279 H ASN 36 H ASN 36 5.528 -19.849 41.064 280 HA ASN 36 HA ASN 36 5.690 -21.276 38.677 281 HB2 ASN 36 HB2 ASN 36 3.506 -21.038 40.741 282 HB3 ASN 36 HB3 ASN 36 3.350 -22.094 39.341 283 HD21 ASN 36 HD21 ASN 36 3.379 -22.869 42.086 284 HD22 ASN 36 HD22 ASN 36 4.742 -23.907 42.311 285 H ARG 37 H ARG 37 3.594 -21.603 37.277 286 HA ARG 37 HA ARG 37 3.202 -19.132 35.875 287 HB2 ARG 37 HB2 ARG 37 1.888 -20.470 34.305 288 HB3 ARG 37 HB3 ARG 37 3.422 -21.251 34.668 289 HG2 ARG 37 HG2 ARG 37 2.092 -22.581 36.419 290 HG3 ARG 37 HG3 ARG 37 0.667 -22.021 35.543 291 HD2 ARG 37 HD2 ARG 37 1.173 -24.103 34.593 292 HD3 ARG 37 HD3 ARG 37 1.807 -22.921 33.449 293 HE ARG 37 HE ARG 37 3.839 -23.630 35.249 294 HH11 ARG 37 HH11 ARG 37 1.979 -24.990 32.640 295 HH12 ARG 37 HH12 ARG 37 3.224 -26.092 32.153 296 HH21 ARG 37 HH21 ARG 37 5.487 -25.076 34.618 297 HH22 ARG 37 HH22 ARG 37 5.218 -26.141 33.279 298 H LEU 38 H LEU 38 1.512 -17.773 35.944 299 HA LEU 38 HA LEU 38 -0.555 -18.276 37.928 300 HB2 LEU 38 HB2 LEU 38 0.639 -16.115 37.858 301 HB3 LEU 38 HB3 LEU 38 -0.031 -15.823 36.255 302 HG LEU 38 HG LEU 38 -2.298 -15.808 37.243 303 HD11 LEU 38 HD11 LEU 38 -2.479 -15.603 39.707 304 HD12 LEU 38 HD12 LEU 38 -0.782 -16.067 39.835 305 HD13 LEU 38 HD13 LEU 38 -1.958 -17.200 39.169 306 HD21 LEU 38 HD21 LEU 38 -0.233 -13.880 38.268 307 HD22 LEU 38 HD22 LEU 38 -1.959 -13.660 38.557 308 HD23 LEU 38 HD23 LEU 38 -1.337 -13.687 36.906 309 H GLU 39 H GLU 39 -0.673 -16.804 34.682 310 HA GLU 39 HA GLU 39 -3.357 -17.231 34.199 311 HB2 GLU 39 HB2 GLU 39 -2.846 -16.961 31.829 312 HB3 GLU 39 HB3 GLU 39 -1.932 -15.811 32.794 313 HG2 GLU 39 HG2 GLU 39 -0.040 -17.550 32.686 314 HG3 GLU 39 HG3 GLU 39 -0.964 -18.247 31.356 Start of MODEL 3 1 H1 MET 1 H MET 1 2.929 0.018 -1.813 2 HA MET 1 HA MET 1 3.828 -1.359 -4.259 3 HB2 MET 1 HB2 MET 1 5.836 -2.032 -2.831 4 HB3 MET 1 HB3 MET 1 5.765 -0.359 -3.368 5 HG2 MET 1 HG2 MET 1 4.962 0.338 -1.197 6 HG3 MET 1 HG3 MET 1 4.923 -1.337 -0.650 7 HE1 MET 1 HE1 MET 1 8.695 1.088 -1.628 8 HE2 MET 1 HE2 MET 1 7.165 1.119 -2.503 9 HE3 MET 1 HE3 MET 1 7.288 1.877 -0.914 10 H ILE 2 H ILE 2 2.833 -1.697 -0.896 11 HA ILE 2 HA ILE 2 3.035 -4.501 -0.723 12 HB ILE 2 HB ILE 2 2.799 -3.116 1.268 13 HG12 ILE 2 HG12 ILE 2 1.061 -4.452 2.436 14 HG13 ILE 2 HG13 ILE 2 0.497 -5.041 0.876 15 HG21 ILE 2 HG21 ILE 2 0.874 -1.896 1.823 16 HG22 ILE 2 HG22 ILE 2 1.168 -1.527 0.124 17 HG23 ILE 2 HG23 ILE 2 -0.088 -2.682 0.571 18 HD11 ILE 2 HD11 ILE 2 1.942 -6.702 1.021 19 HD12 ILE 2 HD12 ILE 2 3.266 -5.537 0.988 20 HD13 ILE 2 HD13 ILE 2 2.579 -6.048 2.530 21 H SER 3 H SER 3 1.821 -6.085 -1.524 22 HA SER 3 HA SER 3 -0.785 -5.374 -2.704 23 HB2 SER 3 HB2 SER 3 1.254 -6.254 -4.146 24 HB3 SER 3 HB3 SER 3 0.696 -7.823 -3.568 25 HG SER 3 HG SER 3 -0.933 -5.901 -4.877 26 H ASP 4 H ASP 4 -2.126 -7.533 -3.006 27 HA ASP 4 HA ASP 4 -2.874 -8.370 -0.424 28 HB2 ASP 4 HB2 ASP 4 -4.256 -8.329 -2.614 29 HB3 ASP 4 HB3 ASP 4 -3.555 -9.918 -2.911 30 H GLU 5 H GLU 5 -1.031 -9.993 -2.983 31 HA GLU 5 HA GLU 5 -0.709 -12.449 -1.637 32 HB2 GLU 5 HB2 GLU 5 1.154 -12.832 -3.230 33 HB3 GLU 5 HB3 GLU 5 -0.326 -12.301 -4.015 34 HG2 GLU 5 HG2 GLU 5 0.796 -9.927 -3.724 35 HG3 GLU 5 HG3 GLU 5 2.267 -10.899 -3.703 36 H GLN 6 H GLN 6 1.286 -9.528 -1.753 37 HA GLN 6 HA GLN 6 3.424 -10.573 -0.215 38 HB2 GLN 6 HB2 GLN 6 3.760 -8.635 -1.626 39 HB3 GLN 6 HB3 GLN 6 2.555 -7.725 -0.726 40 HG2 GLN 6 HG2 GLN 6 4.681 -6.967 -0.020 41 HG3 GLN 6 HG3 GLN 6 4.015 -7.942 1.289 42 HE21 GLN 6 HE21 GLN 6 6.662 -7.446 1.267 43 HE22 GLN 6 HE22 GLN 6 7.545 -8.875 0.864 44 H LEU 7 H LEU 7 0.597 -8.599 0.621 45 HA LEU 7 HA LEU 7 1.206 -8.265 3.344 46 HB2 LEU 7 HB2 LEU 7 -0.600 -7.157 1.813 47 HB3 LEU 7 HB3 LEU 7 -1.615 -8.478 2.388 48 HG LEU 7 HG LEU 7 -1.976 -6.422 3.663 49 HD11 LEU 7 HD11 LEU 7 -1.759 -8.926 4.642 50 HD12 LEU 7 HD12 LEU 7 -2.279 -7.536 5.593 51 HD13 LEU 7 HD13 LEU 7 -0.603 -8.078 5.669 52 HD21 LEU 7 HD21 LEU 7 -0.271 -5.093 4.158 53 HD22 LEU 7 HD22 LEU 7 0.877 -6.305 3.587 54 HD23 LEU 7 HD23 LEU 7 0.340 -6.321 5.268 55 H ASN 8 H ASN 8 -0.600 -10.770 1.627 56 HA ASN 8 HA ASN 8 -1.483 -12.145 3.944 57 HB2 ASN 8 HB2 ASN 8 -2.418 -12.346 1.584 58 HB3 ASN 8 HB3 ASN 8 -1.040 -13.383 1.228 59 HD21 ASN 8 HD21 ASN 8 -4.186 -13.319 2.238 60 HD22 ASN 8 HD22 ASN 8 -4.280 -14.887 2.956 61 H SER 9 H SER 9 1.293 -12.577 1.784 62 HA SER 9 HA SER 9 2.310 -14.917 2.937 63 HB2 SER 9 HB2 SER 9 3.732 -12.660 1.509 64 HB3 SER 9 HB3 SER 9 4.492 -14.195 1.929 65 HG SER 9 HG SER 9 3.522 -13.955 -0.260 66 H LEU 10 H LEU 10 3.082 -11.512 3.608 67 HA LEU 10 HA LEU 10 4.935 -12.093 5.683 68 HB2 LEU 10 HB2 LEU 10 3.575 -9.670 4.640 69 HB3 LEU 10 HB3 LEU 10 4.261 -9.589 6.261 70 HG LEU 10 HG LEU 10 5.747 -8.702 4.477 71 HD11 LEU 10 HD11 LEU 10 6.615 -11.044 6.143 72 HD12 LEU 10 HD12 LEU 10 6.818 -9.323 6.471 73 HD13 LEU 10 HD13 LEU 10 7.753 -10.092 5.188 74 HD21 LEU 10 HD21 LEU 10 6.493 -9.931 2.724 75 HD22 LEU 10 HD22 LEU 10 4.947 -10.747 2.959 76 HD23 LEU 10 HD23 LEU 10 6.426 -11.451 3.616 77 H ALA 11 H ALA 11 1.481 -11.507 5.577 78 HA ALA 11 HA ALA 11 1.026 -11.063 8.310 79 HB1 ALA 11 HB1 ALA 11 -0.745 -10.540 6.874 80 HB2 ALA 11 HB2 ALA 11 -0.706 -12.125 6.101 81 HB3 ALA 11 HB3 ALA 11 -1.302 -11.964 7.754 82 H ILE 12 H ILE 12 0.688 -14.085 6.441 83 HA ILE 12 HA ILE 12 0.243 -15.701 8.732 84 HB ILE 12 HB ILE 12 0.650 -17.616 7.214 85 HG12 ILE 12 HG12 ILE 12 0.744 -16.599 4.689 86 HG13 ILE 12 HG13 ILE 12 1.767 -15.452 5.547 87 HG21 ILE 12 HG21 ILE 12 -1.567 -17.024 7.190 88 HG22 ILE 12 HG22 ILE 12 -1.244 -15.420 6.533 89 HG23 ILE 12 HG23 ILE 12 -1.159 -16.836 5.484 90 HD11 ILE 12 HD11 ILE 12 2.490 -17.939 4.533 91 HD12 ILE 12 HD12 ILE 12 3.447 -16.889 5.579 92 HD13 ILE 12 HD13 ILE 12 2.432 -18.148 6.283 93 H THR 13 H THR 13 3.106 -14.890 6.839 94 HA THR 13 HA THR 13 4.877 -16.732 8.016 95 HB THR 13 HB THR 13 5.392 -14.054 6.718 96 HG1 THR 13 HG1 THR 13 6.074 -16.611 5.716 97 HG21 THR 13 HG21 THR 13 7.760 -15.274 6.515 98 HG22 THR 13 HG22 THR 13 7.237 -15.951 8.058 99 HG23 THR 13 HG23 THR 13 7.359 -14.203 7.857 100 H PHE 14 H PHE 14 4.584 -13.230 8.653 101 HA PHE 14 HA PHE 14 6.229 -13.249 10.935 102 HB2 PHE 14 HB2 PHE 14 5.410 -11.259 9.478 103 HB3 PHE 14 HB3 PHE 14 4.017 -11.252 10.555 104 HD1 PHE 14 HD1 PHE 14 4.105 -10.073 12.541 105 HD2 PHE 14 HD2 PHE 14 7.735 -11.152 10.597 106 HE1 PHE 14 HE1 PHE 14 5.371 -8.735 14.171 107 HE2 PHE 14 HE2 PHE 14 9.007 -9.816 12.225 108 HZ PHE 14 HZ PHE 14 7.826 -8.606 14.015 109 H GLY 15 H GLY 15 2.772 -13.721 10.506 110 HA2 GLY 15 HA2 GLY 15 2.002 -13.507 13.208 111 HA3 GLY 15 HA3 GLY 15 1.125 -14.382 11.961 112 H ILE 16 H ILE 16 2.653 -16.434 11.276 113 HA ILE 16 HA ILE 16 2.384 -18.229 13.430 114 HB ILE 16 HB ILE 16 3.895 -18.531 10.834 115 HG12 ILE 16 HG12 ILE 16 1.448 -18.178 10.639 116 HG13 ILE 16 HG13 ILE 16 1.943 -19.778 10.096 117 HG21 ILE 16 HG21 ILE 16 3.540 -21.025 11.398 118 HG22 ILE 16 HG22 ILE 16 4.860 -20.157 12.179 119 HG23 ILE 16 HG23 ILE 16 3.362 -20.461 13.059 120 HD11 ILE 16 HD11 ILE 16 -0.067 -19.174 11.901 121 HD12 ILE 16 HD12 ILE 16 0.620 -20.764 11.571 122 HD13 ILE 16 HD13 ILE 16 1.253 -19.788 12.896 123 H VAL 17 H VAL 17 5.323 -16.975 11.845 124 HA VAL 17 HA VAL 17 7.229 -18.170 13.438 125 HB VAL 17 HB VAL 17 7.313 -15.404 12.225 126 HG11 VAL 17 HG11 VAL 17 9.294 -16.961 13.763 127 HG12 VAL 17 HG12 VAL 17 9.884 -16.170 12.300 128 HG13 VAL 17 HG13 VAL 17 9.119 -15.217 13.573 129 HG21 VAL 17 HG21 VAL 17 8.835 -17.628 11.044 130 HG22 VAL 17 HG22 VAL 17 7.081 -17.757 10.913 131 HG23 VAL 17 HG23 VAL 17 7.912 -16.342 10.265 132 H MET 18 H MET 18 5.656 -15.018 13.958 133 HA MET 18 HA MET 18 6.969 -14.364 16.341 134 HB2 MET 18 HB2 MET 18 5.577 -12.817 14.938 135 HB3 MET 18 HB3 MET 18 4.144 -13.599 15.593 136 HG2 MET 18 HG2 MET 18 4.283 -12.512 17.543 137 HG3 MET 18 HG3 MET 18 6.038 -12.654 17.613 138 HE1 MET 18 HE1 MET 18 6.761 -10.853 18.408 139 HE2 MET 18 HE2 MET 18 7.524 -9.912 17.127 140 HE3 MET 18 HE3 MET 18 6.263 -9.185 18.124 141 H MET 19 H MET 19 3.824 -15.954 15.836 142 HA MET 19 HA MET 19 3.105 -16.295 18.494 143 HB2 MET 19 HB2 MET 19 2.486 -17.797 15.980 144 HB3 MET 19 HB3 MET 19 1.943 -18.439 17.524 145 HG2 MET 19 HG2 MET 19 1.357 -15.599 16.871 146 HG3 MET 19 HG3 MET 19 0.419 -16.867 16.085 147 HE1 MET 19 HE1 MET 19 -1.481 -15.042 19.179 148 HE2 MET 19 HE2 MET 19 0.203 -14.519 19.181 149 HE3 MET 19 HE3 MET 19 -0.690 -14.609 17.663 150 H THR 20 H THR 20 4.976 -18.477 16.403 151 HA THR 20 HA THR 20 5.357 -20.532 18.261 152 HB THR 20 HB THR 20 7.497 -19.838 16.277 153 HG1 THR 20 HG1 THR 20 4.883 -20.818 15.719 154 HG21 THR 20 HG21 THR 20 6.488 -22.553 16.329 155 HG22 THR 20 HG22 THR 20 6.987 -22.017 17.933 156 HG23 THR 20 HG23 THR 20 8.127 -21.958 16.589 157 H LEU 21 H LEU 21 7.398 -17.715 17.523 158 HA LEU 21 HA LEU 21 9.487 -18.283 19.282 159 HB2 LEU 21 HB2 LEU 21 9.114 -16.395 17.472 160 HB3 LEU 21 HB3 LEU 21 8.631 -15.461 18.886 161 HG LEU 21 HG LEU 21 11.320 -16.738 18.396 162 HD11 LEU 21 HD11 LEU 21 12.151 -14.512 18.235 163 HD12 LEU 21 HD12 LEU 21 10.592 -13.832 18.697 164 HD13 LEU 21 HD13 LEU 21 10.773 -14.644 17.142 165 HD21 LEU 21 HD21 LEU 21 10.146 -15.401 20.811 166 HD22 LEU 21 HD22 LEU 21 11.884 -15.409 20.513 167 HD23 LEU 21 HD23 LEU 21 11.014 -16.932 20.704 168 H ILE 22 H ILE 22 6.434 -16.588 19.818 169 HA ILE 22 HA ILE 22 6.987 -15.743 22.459 170 HB ILE 22 HB ILE 22 4.318 -16.275 21.150 171 HG12 ILE 22 HG12 ILE 22 5.359 -13.531 21.623 172 HG13 ILE 22 HG13 ILE 22 6.113 -14.457 20.330 173 HG21 ILE 22 HG21 ILE 22 3.717 -14.451 22.965 174 HG22 ILE 22 HG22 ILE 22 3.709 -16.172 23.347 175 HG23 ILE 22 HG23 ILE 22 5.092 -15.176 23.799 176 HD11 ILE 22 HD11 ILE 22 3.321 -14.747 20.049 177 HD12 ILE 22 HD12 ILE 22 3.658 -13.036 20.310 178 HD13 ILE 22 HD13 ILE 22 4.450 -13.899 18.993 179 H VAL 23 H VAL 23 5.364 -18.611 21.155 180 HA VAL 23 HA VAL 23 4.651 -19.708 23.671 181 HB VAL 23 HB VAL 23 5.040 -21.106 21.021 182 HG11 VAL 23 HG11 VAL 23 5.045 -22.854 22.520 183 HG12 VAL 23 HG12 VAL 23 4.001 -22.014 23.668 184 HG13 VAL 23 HG13 VAL 23 3.321 -22.689 22.187 185 HG21 VAL 23 HG21 VAL 23 2.326 -20.677 22.013 186 HG22 VAL 23 HG22 VAL 23 3.191 -19.184 21.646 187 HG23 VAL 23 HG23 VAL 23 2.999 -20.421 20.403 188 H ILE 24 H ILE 24 7.434 -20.138 21.537 189 HA ILE 24 HA ILE 24 8.634 -22.221 23.057 190 HB ILE 24 HB ILE 24 9.897 -20.303 21.094 191 HG12 ILE 24 HG12 ILE 24 9.252 -23.175 20.532 192 HG13 ILE 24 HG13 ILE 24 7.979 -21.964 20.417 193 HG21 ILE 24 HG21 ILE 24 11.380 -22.601 21.051 194 HG22 ILE 24 HG22 ILE 24 11.813 -21.123 21.908 195 HG23 ILE 24 HG23 ILE 24 10.997 -22.432 22.764 196 HD11 ILE 24 HD11 ILE 24 9.257 -22.586 18.296 197 HD12 ILE 24 HD12 ILE 24 9.019 -20.873 18.645 198 HD13 ILE 24 HD13 ILE 24 10.578 -21.632 18.971 199 H TYR 25 H TYR 25 9.336 -18.738 22.788 200 HA TYR 25 HA TYR 25 11.394 -18.661 24.682 201 HB2 TYR 25 HB2 TYR 25 10.727 -16.848 23.027 202 HB3 TYR 25 HB3 TYR 25 9.459 -16.404 24.163 203 HD1 TYR 25 HD1 TYR 25 10.086 -14.321 24.992 204 HD2 TYR 25 HD2 TYR 25 12.979 -17.436 24.820 205 HE1 TYR 25 HE1 TYR 25 11.678 -12.902 26.218 206 HE2 TYR 25 HE2 TYR 25 14.579 -16.027 26.046 207 HH TYR 25 HH TYR 25 13.689 -13.220 27.668 208 H HIS 26 H HIS 26 7.902 -18.176 25.049 209 HA HIS 26 HA HIS 26 7.987 -17.568 27.816 210 HB2 HIS 26 HB2 HIS 26 6.082 -17.005 26.316 211 HB3 HIS 26 HB3 HIS 26 5.684 -18.719 26.228 212 HD1 HIS 26 HD1 HIS 26 4.723 -19.819 28.401 213 HD2 HIS 26 HD2 HIS 26 5.245 -15.703 28.613 214 HE1 HIS 26 HE1 HIS 26 3.425 -19.080 30.424 215 H ALA 27 H ALA 27 7.543 -20.566 26.005 216 HA ALA 27 HA ALA 27 6.851 -22.244 28.132 217 HB1 ALA 27 HB1 ALA 27 8.345 -22.874 25.591 218 HB2 ALA 27 HB2 ALA 27 7.684 -24.082 26.694 219 HB3 ALA 27 HB3 ALA 27 6.603 -22.971 25.852 220 H VAL 28 H VAL 28 10.066 -21.713 26.677 221 HA VAL 28 HA VAL 28 11.461 -23.239 28.609 222 HB VAL 28 HB VAL 28 12.426 -22.771 26.416 223 HG11 VAL 28 HG11 VAL 28 12.972 -19.951 27.268 224 HG12 VAL 28 HG12 VAL 28 13.039 -20.660 25.653 225 HG13 VAL 28 HG13 VAL 28 11.480 -20.373 26.427 226 HG21 VAL 28 HG21 VAL 28 13.754 -22.842 28.792 227 HG22 VAL 28 HG22 VAL 28 14.525 -22.887 27.206 228 HG23 VAL 28 HG23 VAL 28 14.386 -21.360 28.076 229 H ASP 29 H ASP 29 10.601 -19.839 28.386 230 HA ASP 29 HA ASP 29 12.249 -18.848 30.426 231 HB2 ASP 29 HB2 ASP 29 9.722 -17.940 29.125 232 HB3 ASP 29 HB3 ASP 29 10.218 -17.149 30.618 233 H SER 30 H SER 30 8.984 -20.210 30.529 234 HA SER 30 HA SER 30 8.737 -19.821 33.371 235 HB2 SER 30 HB2 SER 30 7.041 -21.341 31.380 236 HB3 SER 30 HB3 SER 30 6.636 -21.170 33.088 237 HG SER 30 HG SER 30 5.613 -19.494 32.198 238 H THR 31 H THR 31 9.418 -22.519 31.197 239 HA THR 31 HA THR 31 9.372 -24.581 33.099 240 HB THR 31 HB THR 31 11.014 -24.389 30.566 241 HG1 THR 31 HG1 THR 31 8.396 -25.307 31.151 242 HG21 THR 31 HG21 THR 31 10.644 -26.535 32.576 243 HG22 THR 31 HG22 THR 31 12.015 -26.195 31.521 244 HG23 THR 31 HG23 THR 31 10.591 -27.013 30.881 245 H MET 32 H MET 32 11.898 -22.321 32.161 246 HA MET 32 HA MET 32 13.974 -23.629 33.631 247 HB2 MET 32 HB2 MET 32 13.705 -20.955 32.293 248 HB3 MET 32 HB3 MET 32 15.093 -21.307 33.314 249 HG2 MET 32 HG2 MET 32 15.379 -23.396 31.850 250 HG3 MET 32 HG3 MET 32 14.289 -22.581 30.730 251 HE1 MET 32 HE1 MET 32 17.135 -22.492 28.835 252 HE2 MET 32 HE2 MET 32 18.277 -22.765 30.151 253 HE3 MET 32 HE3 MET 32 16.782 -23.699 30.072 254 H SER 33 H SER 33 11.870 -20.840 34.222 255 HA SER 33 HA SER 33 12.224 -21.193 37.082 256 HB2 SER 33 HB2 SER 33 12.534 -18.536 37.106 257 HB3 SER 33 HB3 SER 33 13.908 -19.639 37.036 258 HG SER 33 HG SER 33 13.648 -17.796 35.413 259 HA PRO 34 HA PRO 34 8.037 -19.906 37.296 260 HB2 PRO 34 HB2 PRO 34 7.960 -18.542 39.641 261 HB3 PRO 34 HB3 PRO 34 8.129 -20.299 39.558 262 HG2 PRO 34 HG2 PRO 34 10.235 -18.211 39.967 263 HG3 PRO 34 HG3 PRO 34 10.028 -19.767 40.791 264 HD2 PRO 34 HD2 PRO 34 11.819 -19.403 38.792 265 HD3 PRO 34 HD3 PRO 34 10.994 -20.952 39.065 266 H LYS 35 H LYS 35 6.681 -18.239 36.758 267 HA LYS 35 HA LYS 35 7.974 -15.686 36.125 268 HB2 LYS 35 HB2 LYS 35 6.036 -15.288 34.665 269 HB3 LYS 35 HB3 LYS 35 6.849 -16.796 34.270 270 HG2 LYS 35 HG2 LYS 35 5.135 -18.045 35.474 271 HG3 LYS 35 HG3 LYS 35 4.322 -16.534 35.888 272 HD2 LYS 35 HD2 LYS 35 4.887 -17.105 33.021 273 HD3 LYS 35 HD3 LYS 35 3.571 -17.978 33.809 274 HE2 LYS 35 HE2 LYS 35 2.875 -15.598 34.629 275 HE3 LYS 35 HE3 LYS 35 3.863 -15.052 33.275 276 HZ1 LYS 35 HZ1 LYS 35 1.774 -17.101 32.892 277 HZ2 LYS 35 HZ2 LYS 35 2.473 -16.072 31.746 278 HZ3 LYS 35 HZ3 LYS 35 1.382 -15.455 32.883 279 H ASN 36 H ASN 36 6.476 -13.732 36.304 280 HA ASN 36 HA ASN 36 5.743 -13.420 39.026 281 HB2 ASN 36 HB2 ASN 36 6.527 -11.660 37.231 282 HB3 ASN 36 HB3 ASN 36 4.799 -11.516 36.918 283 HD21 ASN 36 HD21 ASN 36 3.422 -10.967 38.730 284 HD22 ASN 36 HD22 ASN 36 4.050 -9.974 39.997 285 H ARG 37 H ARG 37 3.785 -13.425 40.018 286 HA ARG 37 HA ARG 37 1.630 -14.776 38.686 287 HB2 ARG 37 HB2 ARG 37 2.076 -13.724 41.461 288 HB3 ARG 37 HB3 ARG 37 0.471 -14.236 40.956 289 HG2 ARG 37 HG2 ARG 37 1.580 -16.433 40.273 290 HG3 ARG 37 HG3 ARG 37 2.961 -15.880 41.222 291 HD2 ARG 37 HD2 ARG 37 1.573 -15.706 43.199 292 HD3 ARG 37 HD3 ARG 37 0.144 -16.146 42.264 293 HE ARG 37 HE ARG 37 2.160 -18.143 42.083 294 HH11 ARG 37 HH11 ARG 37 -0.319 -16.876 44.173 295 HH12 ARG 37 HH12 ARG 37 -0.569 -18.377 45.002 296 HH21 ARG 37 HH21 ARG 37 1.840 -20.124 43.167 297 HH22 ARG 37 HH22 ARG 37 0.660 -20.224 44.429 298 H LEU 38 H LEU 38 0.609 -13.590 37.166 299 HA LEU 38 HA LEU 38 -0.036 -10.805 37.626 300 HB2 LEU 38 HB2 LEU 38 0.686 -11.710 35.411 301 HB3 LEU 38 HB3 LEU 38 -0.850 -12.571 35.326 302 HG LEU 38 HG LEU 38 -0.882 -9.613 35.694 303 HD11 LEU 38 HD11 LEU 38 -0.071 -11.071 33.214 304 HD12 LEU 38 HD12 LEU 38 0.588 -9.591 33.911 305 HD13 LEU 38 HD13 LEU 38 -0.981 -9.564 33.106 306 HD21 LEU 38 HD21 LEU 38 -3.002 -10.617 35.780 307 HD22 LEU 38 HD22 LEU 38 -2.644 -11.692 34.428 308 HD23 LEU 38 HD23 LEU 38 -2.875 -9.965 34.147 309 H GLU 39 H GLU 39 -1.701 -10.341 38.906 310 HA GLU 39 HA GLU 39 -4.056 -12.091 38.877 311 HB2 GLU 39 HB2 GLU 39 -2.785 -11.392 41.035 312 HB3 GLU 39 HB3 GLU 39 -3.623 -9.859 40.837 313 HG2 GLU 39 HG2 GLU 39 -5.003 -12.526 41.005 314 HG3 GLU 39 HG3 GLU 39 -4.740 -11.452 42.379 Start of MODEL 4 1 H1 MET 1 H MET 1 5.033 -0.905 -4.199 2 HA MET 1 HA MET 1 5.912 -3.091 -5.899 3 HB2 MET 1 HB2 MET 1 7.674 -1.879 -4.851 4 HB3 MET 1 HB3 MET 1 6.903 -1.988 -3.274 5 HG2 MET 1 HG2 MET 1 7.556 -4.160 -2.948 6 HG3 MET 1 HG3 MET 1 7.676 -4.496 -4.673 7 HE1 MET 1 HE1 MET 1 9.504 -4.469 -5.988 8 HE2 MET 1 HE2 MET 1 9.910 -2.756 -6.090 9 HE3 MET 1 HE3 MET 1 11.144 -3.930 -5.629 10 H ILE 2 H ILE 2 4.451 -2.633 -2.701 11 HA ILE 2 HA ILE 2 4.338 -5.351 -1.983 12 HB ILE 2 HB ILE 2 4.029 -3.653 -0.302 13 HG12 ILE 2 HG12 ILE 2 2.004 -4.503 0.810 14 HG13 ILE 2 HG13 ILE 2 1.467 -5.214 -0.708 15 HG21 ILE 2 HG21 ILE 2 1.358 -2.791 -0.781 16 HG22 ILE 2 HG22 ILE 2 2.829 -1.826 -0.672 17 HG23 ILE 2 HG23 ILE 2 2.320 -2.484 -2.227 18 HD11 ILE 2 HD11 ILE 2 3.113 -6.348 1.285 19 HD12 ILE 2 HD12 ILE 2 2.581 -7.059 -0.240 20 HD13 ILE 2 HD13 ILE 2 4.090 -6.149 -0.170 21 H SER 3 H SER 3 3.211 -6.943 -2.862 22 HA SER 3 HA SER 3 0.847 -6.294 -4.474 23 HB2 SER 3 HB2 SER 3 2.530 -8.810 -4.383 24 HB3 SER 3 HB3 SER 3 1.135 -8.561 -5.434 25 HG SER 3 HG SER 3 2.248 -7.119 -6.604 26 H ASP 4 H ASP 4 -0.965 -7.866 -4.399 27 HA ASP 4 HA ASP 4 -2.070 -8.058 -1.864 28 HB2 ASP 4 HB2 ASP 4 -3.581 -9.839 -2.995 29 HB3 ASP 4 HB3 ASP 4 -3.607 -8.190 -3.614 30 H GLU 5 H GLU 5 -0.436 -10.576 -3.766 31 HA GLU 5 HA GLU 5 -0.737 -12.630 -1.851 32 HB2 GLU 5 HB2 GLU 5 0.887 -13.857 -3.144 33 HB3 GLU 5 HB3 GLU 5 -0.192 -13.009 -4.243 34 HG2 GLU 5 HG2 GLU 5 1.800 -11.192 -3.957 35 HG3 GLU 5 HG3 GLU 5 2.689 -12.708 -3.818 36 H GLN 6 H GLN 6 1.684 -10.137 -2.324 37 HA GLN 6 HA GLN 6 3.585 -11.203 -0.493 38 HB2 GLN 6 HB2 GLN 6 4.289 -9.644 -2.208 39 HB3 GLN 6 HB3 GLN 6 3.212 -8.407 -1.575 40 HG2 GLN 6 HG2 GLN 6 5.439 -7.896 -0.895 41 HG3 GLN 6 HG3 GLN 6 4.525 -8.405 0.524 42 HE21 GLN 6 HE21 GLN 6 6.651 -8.751 1.447 43 HE22 GLN 6 HE22 GLN 6 7.473 -10.240 1.140 44 H LEU 7 H LEU 7 0.949 -8.873 -0.232 45 HA LEU 7 HA LEU 7 1.521 -8.052 2.421 46 HB2 LEU 7 HB2 LEU 7 -0.020 -7.010 0.589 47 HB3 LEU 7 HB3 LEU 7 -1.249 -8.053 1.302 48 HG LEU 7 HG LEU 7 0.298 -6.204 3.064 49 HD11 LEU 7 HD11 LEU 7 -0.342 -4.683 1.375 50 HD12 LEU 7 HD12 LEU 7 -1.541 -4.522 2.658 51 HD13 LEU 7 HD13 LEU 7 -1.929 -5.432 1.198 52 HD21 LEU 7 HD21 LEU 7 -2.258 -7.705 3.113 53 HD22 LEU 7 HD22 LEU 7 -2.208 -6.154 3.953 54 HD23 LEU 7 HD23 LEU 7 -1.075 -7.433 4.393 55 H ASN 8 H ASN 8 -0.831 -10.376 1.100 56 HA ASN 8 HA ASN 8 -1.861 -11.211 3.582 57 HB2 ASN 8 HB2 ASN 8 -2.759 -11.614 1.177 58 HB3 ASN 8 HB3 ASN 8 -1.714 -13.032 1.195 59 HD21 ASN 8 HD21 ASN 8 -2.407 -14.827 2.164 60 HD22 ASN 8 HD22 ASN 8 -3.861 -14.957 3.088 61 H SER 9 H SER 9 0.644 -12.645 1.503 62 HA SER 9 HA SER 9 1.242 -14.849 3.110 63 HB2 SER 9 HB2 SER 9 2.046 -14.606 0.795 64 HB3 SER 9 HB3 SER 9 3.112 -13.297 1.302 65 HG SER 9 HG SER 9 4.420 -14.995 1.431 66 H LEU 10 H LEU 10 2.745 -11.627 3.036 67 HA LEU 10 HA LEU 10 4.624 -12.105 5.073 68 HB2 LEU 10 HB2 LEU 10 4.977 -10.241 3.679 69 HB3 LEU 10 HB3 LEU 10 3.363 -9.604 3.990 70 HG LEU 10 HG LEU 10 4.044 -9.059 6.292 71 HD11 LEU 10 HD11 LEU 10 6.518 -9.088 6.765 72 HD12 LEU 10 HD12 LEU 10 6.690 -10.153 5.370 73 HD13 LEU 10 HD13 LEU 10 5.722 -10.662 6.754 74 HD21 LEU 10 HD21 LEU 10 5.237 -7.113 5.748 75 HD22 LEU 10 HD22 LEU 10 4.312 -7.498 4.296 76 HD23 LEU 10 HD23 LEU 10 6.033 -7.881 4.374 77 H ALA 11 H ALA 11 1.275 -11.047 5.151 78 HA ALA 11 HA ALA 11 1.176 -10.218 7.838 79 HB1 ALA 11 HB1 ALA 11 -1.213 -10.355 7.638 80 HB2 ALA 11 HB2 ALA 11 -0.555 -9.727 6.126 81 HB3 ALA 11 HB3 ALA 11 -1.079 -11.408 6.230 82 H ILE 12 H ILE 12 0.189 -13.319 6.375 83 HA ILE 12 HA ILE 12 -0.377 -14.605 8.817 84 HB ILE 12 HB ILE 12 -0.242 -16.714 7.533 85 HG12 ILE 12 HG12 ILE 12 0.649 -14.898 5.283 86 HG13 ILE 12 HG13 ILE 12 1.623 -16.141 6.060 87 HG21 ILE 12 HG21 ILE 12 -2.189 -14.981 7.484 88 HG22 ILE 12 HG22 ILE 12 -1.703 -14.770 5.803 89 HG23 ILE 12 HG23 ILE 12 -2.207 -16.357 6.382 90 HD11 ILE 12 HD11 ILE 12 -0.276 -16.362 3.902 91 HD12 ILE 12 HD12 ILE 12 0.946 -17.507 4.456 92 HD13 ILE 12 HD13 ILE 12 -0.646 -17.481 5.213 93 H THR 13 H THR 13 2.570 -14.261 6.946 94 HA THR 13 HA THR 13 4.105 -16.221 8.272 95 HB THR 13 HB THR 13 5.014 -13.698 6.874 96 HG1 THR 13 HG1 THR 13 4.858 -14.852 5.092 97 HG21 THR 13 HG21 THR 13 6.492 -15.948 8.141 98 HG22 THR 13 HG22 THR 13 6.923 -14.243 8.013 99 HG23 THR 13 HG23 THR 13 7.109 -15.307 6.619 100 H PHE 14 H PHE 14 4.127 -12.673 8.672 101 HA PHE 14 HA PHE 14 5.788 -12.656 10.934 102 HB2 PHE 14 HB2 PHE 14 5.051 -10.710 9.372 103 HB3 PHE 14 HB3 PHE 14 3.686 -10.560 10.475 104 HD1 PHE 14 HD1 PHE 14 3.885 -9.176 12.300 105 HD2 PHE 14 HD2 PHE 14 7.407 -10.774 10.523 106 HE1 PHE 14 HE1 PHE 14 5.264 -7.822 13.823 107 HE2 PHE 14 HE2 PHE 14 8.791 -9.423 12.043 108 HZ PHE 14 HZ PHE 14 7.720 -7.943 13.695 109 H GLY 15 H GLY 15 2.301 -12.940 10.585 110 HA2 GLY 15 HA2 GLY 15 1.618 -12.548 13.299 111 HA3 GLY 15 HA3 GLY 15 0.640 -13.390 12.106 112 H ILE 16 H ILE 16 1.987 -15.580 11.457 113 HA ILE 16 HA ILE 16 1.601 -17.295 13.644 114 HB ILE 16 HB ILE 16 3.191 -17.797 11.125 115 HG12 ILE 16 HG12 ILE 16 0.400 -18.763 11.667 116 HG13 ILE 16 HG13 ILE 16 0.668 -17.139 11.042 117 HG21 ILE 16 HG21 ILE 16 2.376 -20.218 11.764 118 HG22 ILE 16 HG22 ILE 16 3.858 -19.544 12.442 119 HG23 ILE 16 HG23 ILE 16 2.373 -19.541 13.392 120 HD11 ILE 16 HD11 ILE 16 0.886 -19.737 9.709 121 HD12 ILE 16 HD12 ILE 16 0.503 -18.145 9.053 122 HD13 ILE 16 HD13 ILE 16 2.182 -18.598 9.343 123 H VAL 17 H VAL 17 4.630 -16.214 12.106 124 HA VAL 17 HA VAL 17 6.419 -17.509 13.788 125 HB VAL 17 HB VAL 17 6.759 -14.816 12.459 126 HG11 VAL 17 HG11 VAL 17 9.234 -15.687 12.553 127 HG12 VAL 17 HG12 VAL 17 8.522 -14.841 13.929 128 HG13 VAL 17 HG13 VAL 17 8.633 -16.602 13.935 129 HG21 VAL 17 HG21 VAL 17 6.307 -17.201 11.237 130 HG22 VAL 17 HG22 VAL 17 7.220 -15.869 10.527 131 HG23 VAL 17 HG23 VAL 17 8.069 -17.188 11.332 132 H MET 18 H MET 18 5.068 -14.230 14.100 133 HA MET 18 HA MET 18 6.387 -13.492 16.440 134 HB2 MET 18 HB2 MET 18 5.075 -11.954 15.003 135 HB3 MET 18 HB3 MET 18 3.595 -12.698 15.593 136 HG2 MET 18 HG2 MET 18 3.624 -11.525 17.487 137 HG3 MET 18 HG3 MET 18 5.351 -11.777 17.725 138 HE1 MET 18 HE1 MET 18 6.761 -8.443 17.188 139 HE2 MET 18 HE2 MET 18 6.074 -9.342 18.541 140 HE3 MET 18 HE3 MET 18 7.097 -10.166 17.363 141 H MET 19 H MET 19 3.192 -15.016 16.055 142 HA MET 19 HA MET 19 2.486 -15.176 18.732 143 HB2 MET 19 HB2 MET 19 1.843 -16.947 16.383 144 HB3 MET 19 HB3 MET 19 1.170 -17.245 17.981 145 HG2 MET 19 HG2 MET 19 0.891 -14.549 16.737 146 HG3 MET 19 HG3 MET 19 -0.164 -15.867 16.231 147 HE1 MET 19 HE1 MET 19 -0.334 -12.976 19.290 148 HE2 MET 19 HE2 MET 19 -0.278 -13.035 17.528 149 HE3 MET 19 HE3 MET 19 -1.826 -13.156 18.365 150 H THR 20 H THR 20 4.280 -17.534 16.768 151 HA THR 20 HA THR 20 4.621 -19.477 18.753 152 HB THR 20 HB THR 20 6.662 -18.909 16.608 153 HG1 THR 20 HG1 THR 20 5.278 -20.349 15.328 154 HG21 THR 20 HG21 THR 20 6.037 -21.657 16.931 155 HG22 THR 20 HG22 THR 20 6.292 -20.974 18.537 156 HG23 THR 20 HG23 THR 20 7.547 -20.829 17.307 157 H LEU 21 H LEU 21 6.625 -16.687 17.884 158 HA LEU 21 HA LEU 21 8.749 -17.234 19.653 159 HB2 LEU 21 HB2 LEU 21 7.965 -15.140 17.865 160 HB3 LEU 21 HB3 LEU 21 8.504 -14.439 19.390 161 HG LEU 21 HG LEU 21 10.090 -16.247 17.568 162 HD11 LEU 21 HD11 LEU 21 10.383 -14.248 16.564 163 HD12 LEU 21 HD12 LEU 21 11.550 -14.017 17.864 164 HD13 LEU 21 HD13 LEU 21 9.931 -13.333 18.002 165 HD21 LEU 21 HD21 LEU 21 11.948 -15.688 19.197 166 HD22 LEU 21 HD22 LEU 21 10.735 -16.839 19.759 167 HD23 LEU 21 HD23 LEU 21 10.684 -15.163 20.310 168 H ILE 22 H ILE 22 5.689 -15.564 20.062 169 HA ILE 22 HA ILE 22 6.264 -14.415 22.590 170 HB ILE 22 HB ILE 22 3.592 -15.129 21.375 171 HG12 ILE 22 HG12 ILE 22 4.590 -12.333 21.559 172 HG13 ILE 22 HG13 ILE 22 5.335 -13.372 20.348 173 HG21 ILE 22 HG21 ILE 22 4.367 -13.691 23.870 174 HG22 ILE 22 HG22 ILE 22 2.923 -13.186 22.994 175 HG23 ILE 22 HG23 ILE 22 3.057 -14.839 23.591 176 HD11 ILE 22 HD11 ILE 22 2.875 -11.981 20.218 177 HD12 ILE 22 HD12 ILE 22 3.633 -13.002 18.995 178 HD13 ILE 22 HD13 ILE 22 2.530 -13.710 20.176 179 H VAL 23 H VAL 23 4.398 -17.314 21.682 180 HA VAL 23 HA VAL 23 3.866 -18.182 24.297 181 HB VAL 23 HB VAL 23 2.626 -19.083 22.425 182 HG11 VAL 23 HG11 VAL 23 4.441 -19.039 20.772 183 HG12 VAL 23 HG12 VAL 23 5.197 -20.415 21.579 184 HG13 VAL 23 HG13 VAL 23 3.620 -20.599 20.809 185 HG21 VAL 23 HG21 VAL 23 2.533 -21.354 23.083 186 HG22 VAL 23 HG22 VAL 23 4.221 -21.351 23.596 187 HG23 VAL 23 HG23 VAL 23 3.018 -20.448 24.517 188 H ILE 24 H ILE 24 6.593 -18.759 22.148 189 HA ILE 24 HA ILE 24 7.823 -20.762 23.750 190 HB ILE 24 HB ILE 24 8.936 -18.960 21.603 191 HG12 ILE 24 HG12 ILE 24 8.533 -21.940 21.487 192 HG13 ILE 24 HG13 ILE 24 7.219 -20.829 21.118 193 HG21 ILE 24 HG21 ILE 24 10.850 -19.438 22.812 194 HG22 ILE 24 HG22 ILE 24 10.269 -21.029 23.299 195 HG23 ILE 24 HG23 ILE 24 10.807 -20.756 21.641 196 HD11 ILE 24 HD11 ILE 24 8.371 -21.602 19.110 197 HD12 ILE 24 HD12 ILE 24 8.519 -19.857 19.320 198 HD13 ILE 24 HD13 ILE 24 9.877 -20.911 19.712 199 H TYR 25 H TYR 25 8.193 -17.255 23.500 200 HA TYR 25 HA TYR 25 10.411 -17.010 25.216 201 HB2 TYR 25 HB2 TYR 25 8.470 -15.222 23.958 202 HB3 TYR 25 HB3 TYR 25 9.010 -14.651 25.533 203 HD1 TYR 25 HD1 TYR 25 11.766 -15.270 25.726 204 HD2 TYR 25 HD2 TYR 25 9.577 -14.127 22.262 205 HE1 TYR 25 HE1 TYR 25 13.835 -14.412 24.709 206 HE2 TYR 25 HE2 TYR 25 11.639 -13.266 21.235 207 HH TYR 25 HH TYR 25 13.800 -12.617 21.707 208 H HIS 26 H HIS 26 6.925 -16.711 25.843 209 HA HIS 26 HA HIS 26 7.217 -16.229 28.627 210 HB2 HIS 26 HB2 HIS 26 5.199 -15.537 27.476 211 HB3 HIS 26 HB3 HIS 26 4.847 -17.201 27.019 212 HD1 HIS 26 HD1 HIS 26 5.402 -15.327 30.294 213 HD2 HIS 26 HD2 HIS 26 2.999 -18.289 28.648 214 HE1 HIS 26 HE1 HIS 26 3.802 -15.985 32.119 215 H ALA 27 H ALA 27 6.797 -19.122 26.680 216 HA ALA 27 HA ALA 27 6.206 -20.936 28.739 217 HB1 ALA 27 HB1 ALA 27 7.585 -21.369 26.094 218 HB2 ALA 27 HB2 ALA 27 7.041 -22.666 27.159 219 HB3 ALA 27 HB3 ALA 27 5.868 -21.558 26.447 220 H VAL 28 H VAL 28 9.341 -20.227 27.187 221 HA VAL 28 HA VAL 28 10.843 -21.819 28.996 222 HB VAL 28 HB VAL 28 11.693 -21.275 26.769 223 HG11 VAL 28 HG11 VAL 28 10.746 -18.838 27.022 224 HG12 VAL 28 HG12 VAL 28 12.373 -18.502 27.618 225 HG13 VAL 28 HG13 VAL 28 12.145 -19.163 25.999 226 HG21 VAL 28 HG21 VAL 28 13.759 -21.557 27.543 227 HG22 VAL 28 HG22 VAL 28 13.797 -19.922 28.203 228 HG23 VAL 28 HG23 VAL 28 13.132 -21.245 29.161 229 H ASP 29 H ASP 29 9.932 -18.426 28.907 230 HA ASP 29 HA ASP 29 11.664 -17.441 30.868 231 HB2 ASP 29 HB2 ASP 29 9.011 -16.595 29.789 232 HB3 ASP 29 HB3 ASP 29 9.603 -15.821 31.257 233 H SER 30 H SER 30 8.335 -18.659 31.211 234 HA SER 30 HA SER 30 8.318 -18.438 34.047 235 HB2 SER 30 HB2 SER 30 6.172 -18.442 33.169 236 HB3 SER 30 HB3 SER 30 6.538 -19.714 32.004 237 HG SER 30 HG SER 30 5.211 -20.223 33.982 238 H THR 31 H THR 31 8.735 -21.179 31.826 239 HA THR 31 HA THR 31 8.970 -23.211 33.710 240 HB THR 31 HB THR 31 10.374 -22.988 31.040 241 HG1 THR 31 HG1 THR 31 8.025 -24.463 31.634 242 HG21 THR 31 HG21 THR 31 11.497 -24.740 32.040 243 HG22 THR 31 HG22 THR 31 10.139 -25.586 31.298 244 HG23 THR 31 HG23 THR 31 10.109 -25.209 33.020 245 H MET 32 H MET 32 11.419 -20.999 32.443 246 HA MET 32 HA MET 32 13.628 -22.232 33.723 247 HB2 MET 32 HB2 MET 32 13.142 -19.571 32.442 248 HB3 MET 32 HB3 MET 32 14.606 -19.819 33.383 249 HG2 MET 32 HG2 MET 32 13.882 -21.792 31.274 250 HG3 MET 32 HG3 MET 32 14.580 -20.241 30.809 251 HE1 MET 32 HE1 MET 32 17.581 -20.527 30.408 252 HE2 MET 32 HE2 MET 32 16.569 -19.368 31.269 253 HE3 MET 32 HE3 MET 32 17.974 -20.077 32.067 254 H SER 33 H SER 33 11.404 -19.661 34.653 255 HA SER 33 HA SER 33 12.826 -19.118 37.111 256 HB2 SER 33 HB2 SER 33 10.457 -17.983 35.712 257 HB3 SER 33 HB3 SER 33 10.534 -17.781 37.462 258 HG SER 33 HG SER 33 12.764 -16.994 37.011 259 HA PRO 34 HA PRO 34 10.716 -21.847 39.820 260 HB2 PRO 34 HB2 PRO 34 10.353 -20.315 42.032 261 HB3 PRO 34 HB3 PRO 34 11.935 -20.931 41.540 262 HG2 PRO 34 HG2 PRO 34 10.743 -18.218 41.114 263 HG3 PRO 34 HG3 PRO 34 12.391 -18.652 41.606 264 HD2 PRO 34 HD2 PRO 34 11.764 -17.957 39.065 265 HD3 PRO 34 HD3 PRO 34 13.045 -19.125 39.447 266 H LYS 35 H LYS 35 9.243 -18.622 39.616 267 HA LYS 35 HA LYS 35 6.693 -19.442 40.573 268 HB2 LYS 35 HB2 LYS 35 7.501 -17.024 38.947 269 HB3 LYS 35 HB3 LYS 35 5.925 -17.248 39.694 270 HG2 LYS 35 HG2 LYS 35 6.725 -16.902 41.814 271 HG3 LYS 35 HG3 LYS 35 8.362 -17.414 41.397 272 HD2 LYS 35 HD2 LYS 35 7.239 -14.956 40.132 273 HD3 LYS 35 HD3 LYS 35 7.809 -14.880 41.801 274 HE2 LYS 35 HE2 LYS 35 9.734 -14.338 40.687 275 HE3 LYS 35 HE3 LYS 35 9.914 -16.089 40.788 276 HZ1 LYS 35 HZ1 LYS 35 8.593 -14.883 38.450 277 HZ2 LYS 35 HZ2 LYS 35 9.415 -16.356 38.571 278 HZ3 LYS 35 HZ3 LYS 35 10.283 -14.904 38.542 279 H ASN 36 H ASN 36 5.273 -20.675 39.551 280 HA ASN 36 HA ASN 36 5.538 -21.403 36.822 281 HB2 ASN 36 HB2 ASN 36 4.413 -22.665 38.829 282 HB3 ASN 36 HB3 ASN 36 2.975 -21.779 38.330 283 HD21 ASN 36 HD21 ASN 36 2.695 -24.357 38.206 284 HD22 ASN 36 HD22 ASN 36 2.812 -24.964 36.593 285 H ARG 37 H ARG 37 2.941 -19.604 38.485 286 HA ARG 37 HA ARG 37 2.569 -18.029 36.036 287 HB2 ARG 37 HB2 ARG 37 0.178 -18.231 36.146 288 HB3 ARG 37 HB3 ARG 37 0.865 -19.849 36.144 289 HG2 ARG 37 HG2 ARG 37 -0.638 -20.129 37.807 290 HG3 ARG 37 HG3 ARG 37 0.693 -19.492 38.775 291 HD2 ARG 37 HD2 ARG 37 -0.316 -17.466 39.080 292 HD3 ARG 37 HD3 ARG 37 -1.184 -17.547 37.548 293 HE ARG 37 HE ARG 37 -2.942 -18.483 38.657 294 HH11 ARG 37 HH11 ARG 37 -0.072 -18.872 40.589 295 HH12 ARG 37 HH12 ARG 37 -0.918 -19.540 41.946 296 HH21 ARG 37 HH21 ARG 37 -4.067 -19.362 40.436 297 HH22 ARG 37 HH22 ARG 37 -3.191 -19.819 41.857 298 H LEU 38 H LEU 38 1.983 -15.905 36.342 299 HA LEU 38 HA LEU 38 1.836 -14.999 39.143 300 HB2 LEU 38 HB2 LEU 38 3.910 -14.466 37.623 301 HB3 LEU 38 HB3 LEU 38 2.844 -13.224 36.969 302 HG LEU 38 HG LEU 38 4.306 -12.293 38.664 303 HD11 LEU 38 HD11 LEU 38 2.017 -11.414 38.421 304 HD12 LEU 38 HD12 LEU 38 2.642 -11.239 40.061 305 HD13 LEU 38 HD13 LEU 38 1.481 -12.514 39.692 306 HD21 LEU 38 HD21 LEU 38 2.992 -14.046 40.714 307 HD22 LEU 38 HD22 LEU 38 4.443 -13.054 40.870 308 HD23 LEU 38 HD23 LEU 38 4.481 -14.528 39.901 309 H GLU 39 H GLU 39 -0.314 -14.692 39.407 310 HA GLU 39 HA GLU 39 -1.721 -13.053 37.409 311 HB2 GLU 39 HB2 GLU 39 -2.526 -15.430 38.171 312 HB3 GLU 39 HB3 GLU 39 -3.133 -14.563 39.575 313 HG2 GLU 39 HG2 GLU 39 -4.919 -14.730 38.042 314 HG3 GLU 39 HG3 GLU 39 -4.364 -13.057 38.001 Start of MODEL 5 1 H1 MET 1 H MET 1 7.943 -2.564 -4.301 2 HA MET 1 HA MET 1 5.827 -3.078 -6.193 3 HB2 MET 1 HB2 MET 1 8.398 -3.707 -6.281 4 HB3 MET 1 HB3 MET 1 7.838 -5.156 -5.458 5 HG2 MET 1 HG2 MET 1 6.071 -5.161 -7.415 6 HG3 MET 1 HG3 MET 1 7.324 -4.223 -8.225 7 HE1 MET 1 HE1 MET 1 7.330 -7.750 -9.720 8 HE2 MET 1 HE2 MET 1 6.314 -8.061 -8.313 9 HE3 MET 1 HE3 MET 1 6.100 -6.578 -9.244 10 H ILE 2 H ILE 2 5.067 -2.924 -3.396 11 HA ILE 2 HA ILE 2 4.574 -5.589 -2.455 12 HB ILE 2 HB ILE 2 4.812 -3.780 -0.851 13 HG12 ILE 2 HG12 ILE 2 2.780 -4.195 0.498 14 HG13 ILE 2 HG13 ILE 2 1.999 -4.897 -0.915 15 HG21 ILE 2 HG21 ILE 2 3.039 -2.061 -0.638 16 HG22 ILE 2 HG22 ILE 2 3.960 -1.933 -2.136 17 HG23 ILE 2 HG23 ILE 2 2.345 -2.639 -2.153 18 HD11 ILE 2 HD11 ILE 2 4.459 -6.231 -0.570 19 HD12 ILE 2 HD12 ILE 2 3.671 -6.147 1.006 20 HD13 ILE 2 HD13 ILE 2 2.827 -6.865 -0.365 21 H SER 3 H SER 3 2.766 -6.811 -2.634 22 HA SER 3 HA SER 3 0.500 -5.675 -4.135 23 HB2 SER 3 HB2 SER 3 0.238 -8.034 -5.096 24 HB3 SER 3 HB3 SER 3 1.581 -7.072 -5.713 25 HG SER 3 HG SER 3 2.934 -8.451 -4.883 26 H ASP 4 H ASP 4 -1.409 -7.382 -3.994 27 HA ASP 4 HA ASP 4 -2.247 -7.399 -1.303 28 HB2 ASP 4 HB2 ASP 4 -3.317 -8.534 -3.856 29 HB3 ASP 4 HB3 ASP 4 -4.030 -9.050 -2.330 30 H GLU 5 H GLU 5 -1.068 -9.983 -3.427 31 HA GLU 5 HA GLU 5 -1.400 -12.087 -1.576 32 HB2 GLU 5 HB2 GLU 5 0.195 -13.321 -3.029 33 HB3 GLU 5 HB3 GLU 5 -1.122 -12.572 -3.921 34 HG2 GLU 5 HG2 GLU 5 0.721 -10.615 -4.061 35 HG3 GLU 5 HG3 GLU 5 1.766 -12.033 -3.998 36 H GLN 6 H GLN 6 1.359 -9.995 -2.327 37 HA GLN 6 HA GLN 6 3.188 -11.259 -0.584 38 HB2 GLN 6 HB2 GLN 6 3.157 -8.409 -1.590 39 HB3 GLN 6 HB3 GLN 6 4.528 -9.205 -0.830 40 HG2 GLN 6 HG2 GLN 6 3.260 -10.307 -3.309 41 HG3 GLN 6 HG3 GLN 6 4.481 -9.038 -3.380 42 HE21 GLN 6 HE21 GLN 6 3.939 -12.328 -3.305 43 HE22 GLN 6 HE22 GLN 6 5.547 -12.855 -2.958 44 H LEU 7 H LEU 7 1.172 -8.356 -0.192 45 HA LEU 7 HA LEU 7 1.973 -7.674 2.388 46 HB2 LEU 7 HB2 LEU 7 0.417 -6.473 0.671 47 HB3 LEU 7 HB3 LEU 7 -0.865 -7.333 1.520 48 HG LEU 7 HG LEU 7 -0.606 -5.033 2.321 49 HD11 LEU 7 HD11 LEU 7 -1.034 -5.582 4.471 50 HD12 LEU 7 HD12 LEU 7 0.398 -6.601 4.615 51 HD13 LEU 7 HD13 LEU 7 -1.044 -7.216 3.806 52 HD21 LEU 7 HD21 LEU 7 2.046 -5.358 1.951 53 HD22 LEU 7 HD22 LEU 7 1.937 -5.603 3.695 54 HD23 LEU 7 HD23 LEU 7 1.342 -4.106 2.974 55 H ASN 8 H ASN 8 -0.843 -9.619 1.388 56 HA ASN 8 HA ASN 8 -1.754 -10.274 3.939 57 HB2 ASN 8 HB2 ASN 8 -3.045 -10.668 1.873 58 HB3 ASN 8 HB3 ASN 8 -1.927 -11.954 1.427 59 HD21 ASN 8 HD21 ASN 8 -4.560 -11.018 3.451 60 HD22 ASN 8 HD22 ASN 8 -4.888 -12.582 4.108 61 H SER 9 H SER 9 0.455 -12.078 1.812 62 HA SER 9 HA SER 9 0.901 -14.250 3.514 63 HB2 SER 9 HB2 SER 9 1.721 -14.662 1.402 64 HB3 SER 9 HB3 SER 9 2.369 -13.032 1.219 65 HG SER 9 HG SER 9 3.643 -15.241 1.980 66 H LEU 10 H LEU 10 2.633 -11.171 3.219 67 HA LEU 10 HA LEU 10 4.649 -11.738 5.100 68 HB2 LEU 10 HB2 LEU 10 3.613 -9.373 3.709 69 HB3 LEU 10 HB3 LEU 10 4.354 -9.035 5.271 70 HG LEU 10 HG LEU 10 6.412 -10.188 4.475 71 HD11 LEU 10 HD11 LEU 10 6.696 -10.850 2.251 72 HD12 LEU 10 HD12 LEU 10 5.227 -10.030 1.723 73 HD13 LEU 10 HD13 LEU 10 5.117 -11.493 2.703 74 HD21 LEU 10 HD21 LEU 10 7.138 -8.363 3.012 75 HD22 LEU 10 HD22 LEU 10 6.225 -7.762 4.397 76 HD23 LEU 10 HD23 LEU 10 5.460 -7.859 2.810 77 H ALA 11 H ALA 11 1.385 -10.502 5.430 78 HA ALA 11 HA ALA 11 1.603 -9.640 8.122 79 HB1 ALA 11 HB1 ALA 11 -1.007 -10.111 7.945 80 HB2 ALA 11 HB2 ALA 11 -0.246 -8.717 7.175 81 HB3 ALA 11 HB3 ALA 11 -0.616 -10.156 6.225 82 H ILE 12 H ILE 12 0.151 -12.585 6.722 83 HA ILE 12 HA ILE 12 -0.423 -13.849 9.151 84 HB ILE 12 HB ILE 12 -0.440 -15.966 7.839 85 HG12 ILE 12 HG12 ILE 12 0.498 -14.141 5.618 86 HG13 ILE 12 HG13 ILE 12 1.370 -15.514 6.290 87 HG21 ILE 12 HG21 ILE 12 -2.198 -13.900 7.792 88 HG22 ILE 12 HG22 ILE 12 -1.898 -14.135 6.070 89 HG23 ILE 12 HG23 ILE 12 -2.487 -15.475 7.053 90 HD11 ILE 12 HD11 ILE 12 -0.700 -15.426 4.251 91 HD12 ILE 12 HD12 ILE 12 0.517 -16.658 4.586 92 HD13 ILE 12 HD13 ILE 12 -0.994 -16.640 5.496 93 H THR 13 H THR 13 2.486 -13.880 7.155 94 HA THR 13 HA THR 13 3.866 -15.913 8.525 95 HB THR 13 HB THR 13 5.939 -14.821 7.584 96 HG1 THR 13 HG1 THR 13 5.781 -12.904 6.677 97 HG21 THR 13 HG21 THR 13 4.553 -14.931 5.137 98 HG22 THR 13 HG22 THR 13 3.744 -16.068 6.216 99 HG23 THR 13 HG23 THR 13 5.474 -16.219 5.912 100 H PHE 14 H PHE 14 4.158 -12.369 8.819 101 HA PHE 14 HA PHE 14 5.966 -12.348 10.942 102 HB2 PHE 14 HB2 PHE 14 4.005 -10.398 9.830 103 HB3 PHE 14 HB3 PHE 14 4.698 -10.055 11.412 104 HD1 PHE 14 HD1 PHE 14 6.249 -8.375 11.164 105 HD2 PHE 14 HD2 PHE 14 6.168 -11.552 8.332 106 HE1 PHE 14 HE1 PHE 14 8.260 -7.458 10.083 107 HE2 PHE 14 HE2 PHE 14 8.180 -10.641 7.248 108 HZ PHE 14 HZ PHE 14 9.228 -8.591 8.122 109 H GLY 15 H GLY 15 2.438 -12.503 10.932 110 HA2 GLY 15 HA2 GLY 15 2.073 -12.177 13.717 111 HA3 GLY 15 HA3 GLY 15 0.923 -12.910 12.609 112 H ILE 16 H ILE 16 2.042 -15.147 11.742 113 HA ILE 16 HA ILE 16 1.786 -16.928 13.891 114 HB ILE 16 HB ILE 16 3.022 -17.364 11.172 115 HG12 ILE 16 HG12 ILE 16 0.629 -16.715 11.191 116 HG13 ILE 16 HG13 ILE 16 0.876 -18.354 10.598 117 HG21 ILE 16 HG21 ILE 16 2.475 -19.242 13.432 118 HG22 ILE 16 HG22 ILE 16 2.387 -19.809 11.765 119 HG23 ILE 16 HG23 ILE 16 3.891 -19.130 12.387 120 HD11 ILE 16 HD11 ILE 16 0.432 -18.330 13.446 121 HD12 ILE 16 HD12 ILE 16 -0.883 -17.540 12.574 122 HD13 ILE 16 HD13 ILE 16 -0.429 -19.196 12.173 123 H VAL 17 H VAL 17 4.711 -16.011 12.067 124 HA VAL 17 HA VAL 17 6.573 -17.457 13.514 125 HB VAL 17 HB VAL 17 6.933 -14.740 12.242 126 HG11 VAL 17 HG11 VAL 17 9.352 -15.980 12.103 127 HG12 VAL 17 HG12 VAL 17 8.901 -14.785 13.320 128 HG13 VAL 17 HG13 VAL 17 8.774 -16.507 13.683 129 HG21 VAL 17 HG21 VAL 17 7.111 -15.754 10.253 130 HG22 VAL 17 HG22 VAL 17 8.038 -17.100 10.916 131 HG23 VAL 17 HG23 VAL 17 6.277 -17.102 11.026 132 H MET 18 H MET 18 5.545 -14.088 14.060 133 HA MET 18 HA MET 18 7.115 -13.556 16.289 134 HB2 MET 18 HB2 MET 18 5.802 -11.861 15.052 135 HB3 MET 18 HB3 MET 18 4.326 -12.527 15.738 136 HG2 MET 18 HG2 MET 18 4.639 -11.532 17.724 137 HG3 MET 18 HG3 MET 18 6.384 -11.775 17.691 138 HE1 MET 18 HE1 MET 18 3.397 -9.863 16.918 139 HE2 MET 18 HE2 MET 18 3.932 -8.199 16.679 140 HE3 MET 18 HE3 MET 18 3.846 -9.304 15.306 141 H MET 19 H MET 19 3.820 -14.885 16.148 142 HA MET 19 HA MET 19 3.330 -15.081 18.874 143 HB2 MET 19 HB2 MET 19 1.823 -15.596 16.791 144 HB3 MET 19 HB3 MET 19 2.402 -17.241 17.018 145 HG2 MET 19 HG2 MET 19 1.447 -17.377 19.177 146 HG3 MET 19 HG3 MET 19 1.119 -15.646 19.214 147 HE1 MET 19 HE1 MET 19 -1.576 -14.839 18.629 148 HE2 MET 19 HE2 MET 19 -2.476 -16.289 19.072 149 HE3 MET 19 HE3 MET 19 -1.038 -15.831 19.985 150 H THR 20 H THR 20 4.823 -17.469 16.705 151 HA THR 20 HA THR 20 5.217 -19.494 18.589 152 HB THR 20 HB THR 20 7.326 -19.160 16.533 153 HG1 THR 20 HG1 THR 20 4.559 -19.402 15.930 154 HG21 THR 20 HG21 THR 20 5.986 -21.568 16.197 155 HG22 THR 20 HG22 THR 20 5.921 -21.277 17.936 156 HG23 THR 20 HG23 THR 20 7.476 -21.316 17.105 157 H LEU 21 H LEU 21 7.455 -16.933 17.531 158 HA LEU 21 HA LEU 21 9.614 -17.598 19.148 159 HB2 LEU 21 HB2 LEU 21 8.976 -15.562 17.384 160 HB3 LEU 21 HB3 LEU 21 9.235 -14.728 18.915 161 HG LEU 21 HG LEU 21 11.267 -14.755 17.584 162 HD11 LEU 21 HD11 LEU 21 12.782 -15.725 19.244 163 HD12 LEU 21 HD12 LEU 21 11.424 -16.569 19.987 164 HD13 LEU 21 HD13 LEU 21 11.483 -14.807 20.005 165 HD21 LEU 21 HD21 LEU 21 10.554 -17.049 16.542 166 HD22 LEU 21 HD22 LEU 21 11.497 -17.715 17.876 167 HD23 LEU 21 HD23 LEU 21 12.260 -16.633 16.709 168 H ILE 22 H ILE 22 6.780 -15.612 19.865 169 HA ILE 22 HA ILE 22 7.630 -14.730 22.412 170 HB ILE 22 HB ILE 22 4.820 -15.071 21.356 171 HG12 ILE 22 HG12 ILE 22 6.222 -12.444 21.614 172 HG13 ILE 22 HG13 ILE 22 6.615 -13.478 20.245 173 HG21 ILE 22 HG21 ILE 22 5.912 -13.966 23.886 174 HG22 ILE 22 HG22 ILE 22 4.549 -13.133 23.140 175 HG23 ILE 22 HG23 ILE 22 4.407 -14.834 23.585 176 HD11 ILE 22 HD11 ILE 22 4.892 -11.814 19.723 177 HD12 ILE 22 HD12 ILE 22 4.310 -13.468 19.535 178 HD13 ILE 22 HD13 ILE 22 3.851 -12.527 20.954 179 H VAL 23 H VAL 23 5.694 -17.504 21.366 180 HA VAL 23 HA VAL 23 5.102 -18.440 23.981 181 HB VAL 23 HB VAL 23 5.161 -19.994 21.390 182 HG11 VAL 23 HG11 VAL 23 4.073 -20.604 24.120 183 HG12 VAL 23 HG12 VAL 23 3.436 -21.385 22.672 184 HG13 VAL 23 HG13 VAL 23 5.134 -21.584 23.108 185 HG21 VAL 23 HG21 VAL 23 3.285 -18.962 20.802 186 HG22 VAL 23 HG22 VAL 23 2.537 -19.358 22.350 187 HG23 VAL 23 HG23 VAL 23 3.484 -17.880 22.181 188 H ILE 24 H ILE 24 7.692 -19.088 21.684 189 HA ILE 24 HA ILE 24 8.832 -21.276 23.077 190 HB ILE 24 HB ILE 24 10.137 -19.345 21.155 191 HG12 ILE 24 HG12 ILE 24 9.405 -22.131 20.410 192 HG13 ILE 24 HG13 ILE 24 8.093 -20.967 20.556 193 HG21 ILE 24 HG21 ILE 24 11.716 -21.318 20.832 194 HG22 ILE 24 HG22 ILE 24 11.892 -20.383 22.316 195 HG23 ILE 24 HG23 ILE 24 11.065 -21.940 22.347 196 HD11 ILE 24 HD11 ILE 24 8.530 -20.318 18.491 197 HD12 ILE 24 HD12 ILE 24 10.080 -19.693 19.057 198 HD13 ILE 24 HD13 ILE 24 9.968 -21.337 18.428 199 H TYR 25 H TYR 25 9.751 -17.836 22.929 200 HA TYR 25 HA TYR 25 11.845 -18.015 24.802 201 HB2 TYR 25 HB2 TYR 25 10.310 -15.847 23.507 202 HB3 TYR 25 HB3 TYR 25 11.056 -15.431 25.047 203 HD1 TYR 25 HD1 TYR 25 12.836 -14.037 24.473 204 HD2 TYR 25 HD2 TYR 25 12.309 -17.699 22.372 205 HE1 TYR 25 HE1 TYR 25 14.989 -13.689 23.338 206 HE2 TYR 25 HE2 TYR 25 14.462 -17.362 21.232 207 HH TYR 25 HH TYR 25 16.152 -15.951 20.868 208 H HIS 26 H HIS 26 8.417 -17.212 25.161 209 HA HIS 26 HA HIS 26 8.535 -16.589 27.920 210 HB2 HIS 26 HB2 HIS 26 6.662 -15.821 26.620 211 HB3 HIS 26 HB3 HIS 26 6.240 -17.468 26.160 212 HD1 HIS 26 HD1 HIS 26 6.976 -16.215 29.662 213 HD2 HIS 26 HD2 HIS 26 3.833 -17.737 27.411 214 HE1 HIS 26 HE1 HIS 26 5.089 -16.557 31.288 215 H ALA 27 H ALA 27 8.026 -19.578 26.141 216 HA ALA 27 HA ALA 27 7.206 -21.163 28.336 217 HB1 ALA 27 HB1 ALA 27 7.872 -23.081 26.871 218 HB2 ALA 27 HB2 ALA 27 6.751 -21.939 26.129 219 HB3 ALA 27 HB3 ALA 27 8.461 -21.901 25.700 220 H VAL 28 H VAL 28 10.369 -20.934 26.699 221 HA VAL 28 HA VAL 28 11.753 -22.564 28.528 222 HB VAL 28 HB VAL 28 12.657 -22.079 26.317 223 HG11 VAL 28 HG11 VAL 28 11.840 -19.637 26.433 224 HG12 VAL 28 HG12 VAL 28 13.387 -19.316 27.219 225 HG13 VAL 28 HG13 VAL 28 13.347 -19.981 25.586 226 HG21 VAL 28 HG21 VAL 28 14.086 -22.094 28.724 227 HG22 VAL 28 HG22 VAL 28 14.691 -22.492 27.116 228 HG23 VAL 28 HG23 VAL 28 14.837 -20.846 27.730 229 H ASP 29 H ASP 29 11.107 -19.109 28.462 230 HA ASP 29 HA ASP 29 12.884 -18.400 30.556 231 HB2 ASP 29 HB2 ASP 29 12.115 -16.683 29.065 232 HB3 ASP 29 HB3 ASP 29 10.430 -17.033 29.444 233 H SER 30 H SER 30 9.474 -19.311 30.467 234 HA SER 30 HA SER 30 9.012 -18.822 33.241 235 HB2 SER 30 HB2 SER 30 7.262 -18.925 31.375 236 HB3 SER 30 HB3 SER 30 7.392 -20.679 31.499 237 HG SER 30 HG SER 30 5.709 -19.706 32.809 238 H THR 31 H THR 31 9.595 -21.752 31.320 239 HA THR 31 HA THR 31 9.359 -23.661 33.307 240 HB THR 31 HB THR 31 10.922 -25.053 31.974 241 HG1 THR 31 HG1 THR 31 12.093 -24.186 30.376 242 HG21 THR 31 HG21 THR 31 8.993 -25.463 30.917 243 HG22 THR 31 HG22 THR 31 9.541 -24.321 29.689 244 HG23 THR 31 HG23 THR 31 8.500 -23.772 31.003 245 H MET 32 H MET 32 12.138 -21.635 32.487 246 HA MET 32 HA MET 32 13.879 -22.884 34.390 247 HB2 MET 32 HB2 MET 32 14.634 -21.690 32.307 248 HB3 MET 32 HB3 MET 32 14.202 -20.176 33.091 249 HG2 MET 32 HG2 MET 32 15.857 -20.477 34.767 250 HG3 MET 32 HG3 MET 32 16.169 -22.131 34.246 251 HE1 MET 32 HE1 MET 32 18.151 -22.490 31.827 252 HE2 MET 32 HE2 MET 32 19.310 -21.619 32.832 253 HE3 MET 32 HE3 MET 32 18.060 -22.610 33.585 254 H SER 33 H SER 33 11.795 -20.053 34.352 255 HA SER 33 HA SER 33 12.305 -19.728 37.234 256 HB2 SER 33 HB2 SER 33 13.371 -17.856 36.198 257 HB3 SER 33 HB3 SER 33 11.993 -17.577 35.135 258 HG SER 33 HG SER 33 12.279 -17.020 37.870 259 HA PRO 34 HA PRO 34 7.795 -20.491 36.422 260 HB2 PRO 34 HB2 PRO 34 7.504 -22.307 38.419 261 HB3 PRO 34 HB3 PRO 34 8.033 -22.747 36.791 262 HG2 PRO 34 HG2 PRO 34 9.668 -22.304 39.259 263 HG3 PRO 34 HG3 PRO 34 9.814 -23.578 38.034 264 HD2 PRO 34 HD2 PRO 34 11.431 -21.406 38.077 265 HD3 PRO 34 HD3 PRO 34 10.956 -22.213 36.569 266 H LYS 35 H LYS 35 6.919 -18.626 37.167 267 HA LYS 35 HA LYS 35 7.075 -18.065 40.049 268 HB2 LYS 35 HB2 LYS 35 6.423 -15.774 39.476 269 HB3 LYS 35 HB3 LYS 35 7.866 -16.261 38.597 270 HG2 LYS 35 HG2 LYS 35 6.368 -16.795 36.648 271 HG3 LYS 35 HG3 LYS 35 5.063 -16.012 37.542 272 HD2 LYS 35 HD2 LYS 35 7.669 -14.608 37.056 273 HD3 LYS 35 HD3 LYS 35 6.394 -14.614 35.835 274 HE2 LYS 35 HE2 LYS 35 5.934 -12.674 36.998 275 HE3 LYS 35 HE3 LYS 35 4.878 -13.837 37.798 276 HZ1 LYS 35 HZ1 LYS 35 6.639 -12.219 39.049 277 HZ2 LYS 35 HZ2 LYS 35 7.507 -13.667 38.957 278 HZ3 LYS 35 HZ3 LYS 35 5.991 -13.636 39.707 279 H ASN 36 H ASN 36 5.217 -17.647 41.249 280 HA ASN 36 HA ASN 36 2.890 -19.078 40.438 281 HB2 ASN 36 HB2 ASN 36 2.045 -18.641 42.594 282 HB3 ASN 36 HB3 ASN 36 3.787 -18.754 42.821 283 HD21 ASN 36 HD21 ASN 36 4.940 -16.959 43.408 284 HD22 ASN 36 HD22 ASN 36 4.196 -15.476 43.889 285 H ARG 37 H ARG 37 0.837 -18.313 39.950 286 HA ARG 37 HA ARG 37 0.675 -15.448 39.278 287 HB2 ARG 37 HB2 ARG 37 -0.857 -16.142 37.412 288 HB3 ARG 37 HB3 ARG 37 0.817 -16.640 37.213 289 HG2 ARG 37 HG2 ARG 37 0.327 -18.879 37.683 290 HG3 ARG 37 HG3 ARG 37 -1.242 -18.477 38.383 291 HD2 ARG 37 HD2 ARG 37 -0.551 -18.016 35.489 292 HD3 ARG 37 HD3 ARG 37 -1.299 -19.499 36.080 293 HE ARG 37 HE ARG 37 -2.731 -17.152 36.868 294 HH11 ARG 37 HH11 ARG 37 -2.225 -19.416 34.273 295 HH12 ARG 37 HH12 ARG 37 -3.780 -19.145 33.559 296 HH21 ARG 37 HH21 ARG 37 -4.782 -16.787 35.938 297 HH22 ARG 37 HH22 ARG 37 -5.233 -17.649 34.507 298 H LEU 38 H LEU 38 -0.109 -15.942 41.717 299 HA LEU 38 HA LEU 38 -3.031 -15.826 41.563 300 HB2 LEU 38 HB2 LEU 38 -3.200 -17.177 43.629 301 HB3 LEU 38 HB3 LEU 38 -2.600 -18.078 42.238 302 HG LEU 38 HG LEU 38 -0.256 -17.513 43.275 303 HD11 LEU 38 HD11 LEU 38 -2.142 -16.707 45.356 304 HD12 LEU 38 HD12 LEU 38 -0.435 -16.316 45.154 305 HD13 LEU 38 HD13 LEU 38 -0.906 -17.839 45.906 306 HD21 LEU 38 HD21 LEU 38 -0.860 -19.756 43.015 307 HD22 LEU 38 HD22 LEU 38 -2.205 -19.622 44.149 308 HD23 LEU 38 HD23 LEU 38 -0.544 -19.592 44.742 309 H GLU 39 H GLU 39 -3.994 -14.444 43.018 310 HA GLU 39 HA GLU 39 -2.192 -12.984 44.833 311 HB2 GLU 39 HB2 GLU 39 -2.670 -11.610 42.859 312 HB3 GLU 39 HB3 GLU 39 -4.396 -11.809 43.128 313 HG2 GLU 39 HG2 GLU 39 -4.399 -10.432 44.989 314 HG3 GLU 39 HG3 GLU 39 -2.666 -10.617 45.251 Start of MODEL 6 1 H1 MET 1 H MET 1 5.055 -1.663 -4.844 2 HA MET 1 HA MET 1 5.767 -3.603 -6.940 3 HB2 MET 1 HB2 MET 1 7.642 -4.314 -5.356 4 HB3 MET 1 HB3 MET 1 7.866 -2.807 -6.233 5 HG2 MET 1 HG2 MET 1 7.230 -1.536 -4.275 6 HG3 MET 1 HG3 MET 1 6.907 -3.026 -3.390 7 HE1 MET 1 HE1 MET 1 8.508 -2.008 -1.444 8 HE2 MET 1 HE2 MET 1 10.171 -1.501 -1.741 9 HE3 MET 1 HE3 MET 1 8.833 -0.595 -2.449 10 H ILE 2 H ILE 2 4.899 -3.098 -3.548 11 HA ILE 2 HA ILE 2 4.513 -5.821 -2.902 12 HB ILE 2 HB ILE 2 4.777 -4.170 -1.150 13 HG12 ILE 2 HG12 ILE 2 2.911 -4.832 0.310 14 HG13 ILE 2 HG13 ILE 2 2.008 -5.391 -1.094 15 HG21 ILE 2 HG21 ILE 2 2.143 -3.005 -1.173 16 HG22 ILE 2 HG22 ILE 2 3.719 -2.216 -1.125 17 HG23 ILE 2 HG23 ILE 2 3.000 -2.655 -2.674 18 HD11 ILE 2 HD11 ILE 2 3.747 -6.863 0.511 19 HD12 ILE 2 HD12 ILE 2 2.994 -7.366 -1.003 20 HD13 ILE 2 HD13 ILE 2 4.595 -6.628 -1.017 21 H SER 3 H SER 3 2.952 -7.179 -3.466 22 HA SER 3 HA SER 3 0.521 -6.088 -4.699 23 HB2 SER 3 HB2 SER 3 1.934 -7.699 -6.011 24 HB3 SER 3 HB3 SER 3 1.544 -8.934 -4.814 25 HG SER 3 HG SER 3 0.184 -8.597 -6.872 26 H ASP 4 H ASP 4 -1.445 -7.598 -4.390 27 HA ASP 4 HA ASP 4 -2.177 -7.533 -1.678 28 HB2 ASP 4 HB2 ASP 4 -3.393 -8.688 -4.156 29 HB3 ASP 4 HB3 ASP 4 -4.079 -9.108 -2.589 30 H GLU 5 H GLU 5 -1.272 -10.250 -3.780 31 HA GLU 5 HA GLU 5 -1.607 -12.266 -1.839 32 HB2 GLU 5 HB2 GLU 5 -0.189 -13.645 -3.338 33 HB3 GLU 5 HB3 GLU 5 -1.501 -12.834 -4.182 34 HG2 GLU 5 HG2 GLU 5 0.432 -11.009 -4.512 35 HG3 GLU 5 HG3 GLU 5 1.415 -12.469 -4.408 36 H GLN 6 H GLN 6 1.205 -10.347 -2.805 37 HA GLN 6 HA GLN 6 3.075 -11.670 -1.152 38 HB2 GLN 6 HB2 GLN 6 3.832 -10.310 -2.996 39 HB3 GLN 6 HB3 GLN 6 3.073 -8.880 -2.308 40 HG2 GLN 6 HG2 GLN 6 5.422 -8.757 -1.920 41 HG3 GLN 6 HG3 GLN 6 4.615 -9.047 -0.380 42 HE21 GLN 6 HE21 GLN 6 5.772 -11.063 -3.067 43 HE22 GLN 6 HE22 GLN 6 6.654 -12.172 -2.078 44 H LEU 7 H LEU 7 1.127 -8.743 -0.676 45 HA LEU 7 HA LEU 7 2.147 -8.022 1.829 46 HB2 LEU 7 HB2 LEU 7 0.698 -6.624 0.353 47 HB3 LEU 7 HB3 LEU 7 -0.673 -7.613 0.850 48 HG LEU 7 HG LEU 7 -0.396 -6.846 3.155 49 HD11 LEU 7 HD11 LEU 7 1.525 -6.000 3.860 50 HD12 LEU 7 HD12 LEU 7 1.314 -4.618 2.786 51 HD13 LEU 7 HD13 LEU 7 2.166 -6.054 2.218 52 HD21 LEU 7 HD21 LEU 7 -0.371 -4.282 1.703 53 HD22 LEU 7 HD22 LEU 7 -1.575 -4.957 2.801 54 HD23 LEU 7 HD23 LEU 7 -1.520 -5.486 1.119 55 H ASN 8 H ASN 8 -0.790 -9.885 1.044 56 HA ASN 8 HA ASN 8 -1.553 -10.466 3.662 57 HB2 ASN 8 HB2 ASN 8 -3.046 -10.849 1.781 58 HB3 ASN 8 HB3 ASN 8 -1.969 -12.086 1.140 59 HD21 ASN 8 HD21 ASN 8 -4.093 -11.265 3.810 60 HD22 ASN 8 HD22 ASN 8 -4.438 -12.892 4.280 61 H SER 9 H SER 9 0.441 -12.378 1.421 62 HA SER 9 HA SER 9 0.910 -14.580 3.033 63 HB2 SER 9 HB2 SER 9 1.601 -14.594 0.723 64 HB3 SER 9 HB3 SER 9 2.721 -13.260 1.000 65 HG SER 9 HG SER 9 3.528 -15.567 0.985 66 H LEU 10 H LEU 10 2.804 -11.579 2.810 67 HA LEU 10 HA LEU 10 4.732 -12.279 4.735 68 HB2 LEU 10 HB2 LEU 10 4.580 -10.301 3.002 69 HB3 LEU 10 HB3 LEU 10 3.898 -9.442 4.381 70 HG LEU 10 HG LEU 10 6.494 -10.848 4.751 71 HD11 LEU 10 HD11 LEU 10 7.742 -8.988 3.851 72 HD12 LEU 10 HD12 LEU 10 6.251 -8.178 3.373 73 HD13 LEU 10 HD13 LEU 10 6.725 -9.685 2.590 74 HD21 LEU 10 HD21 LEU 10 5.968 -9.843 6.710 75 HD22 LEU 10 HD22 LEU 10 4.969 -8.611 5.940 76 HD23 LEU 10 HD23 LEU 10 6.726 -8.456 5.927 77 H ALA 11 H ALA 11 1.574 -10.755 4.997 78 HA ALA 11 HA ALA 11 1.739 -9.880 7.654 79 HB1 ALA 11 HB1 ALA 11 -0.662 -10.779 6.068 80 HB2 ALA 11 HB2 ALA 11 -0.733 -9.936 7.616 81 HB3 ALA 11 HB3 ALA 11 -0.038 -9.135 6.207 82 H ILE 12 H ILE 12 0.306 -12.886 6.371 83 HA ILE 12 HA ILE 12 -0.217 -14.030 8.895 84 HB ILE 12 HB ILE 12 -0.413 -16.179 7.669 85 HG12 ILE 12 HG12 ILE 12 0.460 -14.502 5.306 86 HG13 ILE 12 HG13 ILE 12 1.354 -15.841 6.018 87 HG21 ILE 12 HG21 ILE 12 -2.402 -15.620 6.576 88 HG22 ILE 12 HG22 ILE 12 -2.206 -14.358 7.791 89 HG23 ILE 12 HG23 ILE 12 -1.803 -14.029 6.106 90 HD11 ILE 12 HD11 ILE 12 -1.126 -15.898 4.358 91 HD12 ILE 12 HD12 ILE 12 0.381 -16.793 4.157 92 HD13 ILE 12 HD13 ILE 12 -0.742 -17.233 5.444 93 H THR 13 H THR 13 2.583 -14.124 6.775 94 HA THR 13 HA THR 13 3.992 -16.217 7.981 95 HB THR 13 HB THR 13 5.065 -13.744 6.611 96 HG1 THR 13 HG1 THR 13 4.265 -16.313 5.747 97 HG21 THR 13 HG21 THR 13 6.416 -16.258 7.555 98 HG22 THR 13 HG22 THR 13 6.892 -14.582 7.826 99 HG23 THR 13 HG23 THR 13 7.066 -15.301 6.225 100 H PHE 14 H PHE 14 4.497 -12.716 8.473 101 HA PHE 14 HA PHE 14 6.219 -12.996 10.671 102 HB2 PHE 14 HB2 PHE 14 5.548 -10.914 9.145 103 HB3 PHE 14 HB3 PHE 14 4.471 -10.590 10.500 104 HD1 PHE 14 HD1 PHE 14 5.291 -9.013 11.936 105 HD2 PHE 14 HD2 PHE 14 8.002 -11.752 10.129 106 HE1 PHE 14 HE1 PHE 14 7.153 -7.977 13.167 107 HE2 PHE 14 HE2 PHE 14 9.868 -10.721 11.358 108 HZ PHE 14 HZ PHE 14 9.445 -8.831 12.878 109 H GLY 15 H GLY 15 2.710 -12.624 10.476 110 HA2 GLY 15 HA2 GLY 15 2.129 -12.212 13.163 111 HA3 GLY 15 HA3 GLY 15 1.061 -13.018 12.024 112 H ILE 16 H ILE 16 2.211 -15.335 11.442 113 HA ILE 16 HA ILE 16 1.775 -16.898 13.750 114 HB ILE 16 HB ILE 16 3.079 -17.665 11.136 115 HG12 ILE 16 HG12 ILE 16 0.750 -16.851 10.943 116 HG13 ILE 16 HG13 ILE 16 0.891 -18.560 10.547 117 HG21 ILE 16 HG21 ILE 16 2.144 -19.324 13.462 118 HG22 ILE 16 HG22 ILE 16 2.371 -19.989 11.845 119 HG23 ILE 16 HG23 ILE 16 3.740 -19.293 12.712 120 HD11 ILE 16 HD11 ILE 16 -0.571 -19.106 12.114 121 HD12 ILE 16 HD12 ILE 16 0.313 -18.199 13.342 122 HD13 ILE 16 HD13 ILE 16 -0.881 -17.384 12.331 123 H VAL 17 H VAL 17 4.769 -16.231 11.934 124 HA VAL 17 HA VAL 17 6.560 -17.627 13.499 125 HB VAL 17 HB VAL 17 7.013 -14.977 12.121 126 HG11 VAL 17 HG11 VAL 17 9.397 -15.647 12.122 127 HG12 VAL 17 HG12 VAL 17 8.758 -15.358 13.741 128 HG13 VAL 17 HG13 VAL 17 8.982 -17.009 13.162 129 HG21 VAL 17 HG21 VAL 17 6.332 -17.374 10.992 130 HG22 VAL 17 HG22 VAL 17 7.213 -16.080 10.181 131 HG23 VAL 17 HG23 VAL 17 8.094 -17.414 10.925 132 H MET 18 H MET 18 5.666 -14.191 13.849 133 HA MET 18 HA MET 18 7.158 -13.716 16.173 134 HB2 MET 18 HB2 MET 18 4.640 -12.376 15.175 135 HB3 MET 18 HB3 MET 18 5.636 -11.764 16.489 136 HG2 MET 18 HG2 MET 18 6.947 -12.313 13.885 137 HG3 MET 18 HG3 MET 18 5.899 -10.902 14.011 138 HE1 MET 18 HE1 MET 18 8.948 -12.613 14.512 139 HE2 MET 18 HE2 MET 18 9.778 -11.134 14.029 140 HE3 MET 18 HE3 MET 18 9.953 -11.747 15.674 141 H MET 19 H MET 19 3.734 -14.592 15.774 142 HA MET 19 HA MET 19 2.972 -14.559 18.439 143 HB2 MET 19 HB2 MET 19 1.408 -14.841 16.555 144 HB3 MET 19 HB3 MET 19 2.032 -16.463 16.286 145 HG2 MET 19 HG2 MET 19 1.035 -17.309 18.184 146 HG3 MET 19 HG3 MET 19 0.917 -15.727 18.952 147 HE1 MET 19 HE1 MET 19 -0.847 -14.177 18.825 148 HE2 MET 19 HE2 MET 19 -2.477 -14.562 18.274 149 HE3 MET 19 HE3 MET 19 -1.736 -15.508 19.566 150 H THR 20 H THR 20 4.324 -17.256 16.558 151 HA THR 20 HA THR 20 4.280 -19.163 18.616 152 HB THR 20 HB THR 20 6.259 -19.012 16.335 153 HG1 THR 20 HG1 THR 20 4.512 -19.302 15.173 154 HG21 THR 20 HG21 THR 20 5.619 -21.029 18.392 155 HG22 THR 20 HG22 THR 20 7.112 -20.760 17.493 156 HG23 THR 20 HG23 THR 20 5.777 -21.638 16.745 157 H LEU 21 H LEU 21 6.832 -16.922 17.581 158 HA LEU 21 HA LEU 21 8.822 -17.784 19.351 159 HB2 LEU 21 HB2 LEU 21 8.534 -15.791 17.426 160 HB3 LEU 21 HB3 LEU 21 8.894 -14.926 18.919 161 HG LEU 21 HG LEU 21 10.588 -17.028 17.577 162 HD11 LEU 21 HD11 LEU 21 10.943 -14.077 18.060 163 HD12 LEU 21 HD12 LEU 21 10.792 -14.900 16.508 164 HD13 LEU 21 HD13 LEU 21 12.226 -15.152 17.503 165 HD21 LEU 21 HD21 LEU 21 10.465 -16.195 20.347 166 HD22 LEU 21 HD22 LEU 21 12.046 -15.875 19.633 167 HD23 LEU 21 HD23 LEU 21 11.378 -17.507 19.602 168 H ILE 22 H ILE 22 6.126 -15.583 19.784 169 HA ILE 22 HA ILE 22 6.974 -14.528 22.286 170 HB ILE 22 HB ILE 22 4.199 -14.680 21.103 171 HG12 ILE 22 HG12 ILE 22 5.746 -12.147 21.252 172 HG13 ILE 22 HG13 ILE 22 6.266 -13.327 20.054 173 HG21 ILE 22 HG21 ILE 22 3.732 -14.254 23.303 174 HG22 ILE 22 HG22 ILE 22 5.276 -13.452 23.590 175 HG23 ILE 22 HG23 ILE 22 3.995 -12.612 22.716 176 HD11 ILE 22 HD11 ILE 22 4.044 -11.516 19.991 177 HD12 ILE 22 HD12 ILE 22 4.717 -12.517 18.703 178 HD13 ILE 22 HD13 ILE 22 3.495 -13.179 19.789 179 H VAL 23 H VAL 23 4.528 -16.977 21.432 180 HA VAL 23 HA VAL 23 3.894 -17.695 24.080 181 HB VAL 23 HB VAL 23 2.957 -19.773 23.092 182 HG11 VAL 23 HG11 VAL 23 2.245 -17.281 21.550 183 HG12 VAL 23 HG12 VAL 23 1.214 -18.688 21.821 184 HG13 VAL 23 HG13 VAL 23 1.679 -17.659 23.176 185 HG21 VAL 23 HG21 VAL 23 4.164 -18.676 20.557 186 HG22 VAL 23 HG22 VAL 23 4.553 -20.204 21.348 187 HG23 VAL 23 HG23 VAL 23 2.967 -19.971 20.611 188 H ILE 24 H ILE 24 6.312 -18.898 21.816 189 HA ILE 24 HA ILE 24 7.118 -21.118 23.403 190 HB ILE 24 HB ILE 24 8.478 -19.661 21.143 191 HG12 ILE 24 HG12 ILE 24 6.443 -21.016 20.642 192 HG13 ILE 24 HG13 ILE 24 7.893 -21.610 19.841 193 HG21 ILE 24 HG21 ILE 24 9.482 -21.810 22.928 194 HG22 ILE 24 HG22 ILE 24 9.861 -21.917 21.209 195 HG23 ILE 24 HG23 ILE 24 10.353 -20.498 22.134 196 HD11 ILE 24 HD11 ILE 24 6.556 -23.434 20.716 197 HD12 ILE 24 HD12 ILE 24 8.115 -23.349 21.536 198 HD13 ILE 24 HD13 ILE 24 6.662 -22.751 22.338 199 H TYR 25 H TYR 25 8.620 -17.940 22.805 200 HA TYR 25 HA TYR 25 10.749 -18.250 24.599 201 HB2 TYR 25 HB2 TYR 25 10.508 -16.476 22.815 202 HB3 TYR 25 HB3 TYR 25 9.414 -15.631 23.904 203 HD1 TYR 25 HD1 TYR 25 10.260 -14.640 25.991 204 HD2 TYR 25 HD2 TYR 25 12.881 -16.483 23.192 205 HE1 TYR 25 HE1 TYR 25 12.177 -13.547 27.077 206 HE2 TYR 25 HE2 TYR 25 14.806 -15.396 24.270 207 HH TYR 25 HH TYR 25 14.465 -13.598 27.258 208 H HIS 26 H HIS 26 7.501 -16.926 25.053 209 HA HIS 26 HA HIS 26 7.901 -16.085 27.733 210 HB2 HIS 26 HB2 HIS 26 5.427 -16.655 26.107 211 HB3 HIS 26 HB3 HIS 26 5.346 -16.131 27.786 212 HD1 HIS 26 HD1 HIS 26 4.095 -13.989 26.854 213 HD2 HIS 26 HD2 HIS 26 8.073 -14.370 25.718 214 HE1 HIS 26 HE1 HIS 26 4.768 -11.724 25.995 215 H ALA 27 H ALA 27 6.681 -19.056 26.270 216 HA ALA 27 HA ALA 27 5.773 -20.309 28.610 217 HB1 ALA 27 HB1 ALA 27 6.329 -22.444 27.219 218 HB2 ALA 27 HB2 ALA 27 5.048 -21.353 26.689 219 HB3 ALA 27 HB3 ALA 27 6.636 -21.286 25.925 220 H VAL 28 H VAL 28 8.895 -20.647 26.919 221 HA VAL 28 HA VAL 28 10.058 -22.328 28.878 222 HB VAL 28 HB VAL 28 10.933 -22.241 26.602 223 HG11 VAL 28 HG11 VAL 28 10.538 -19.712 26.438 224 HG12 VAL 28 HG12 VAL 28 12.124 -19.551 27.192 225 HG13 VAL 28 HG13 VAL 28 11.964 -20.377 25.642 226 HG21 VAL 28 HG21 VAL 28 13.324 -22.117 27.136 227 HG22 VAL 28 HG22 VAL 28 12.939 -21.315 28.659 228 HG23 VAL 28 HG23 VAL 28 12.421 -22.978 28.383 229 H ASP 29 H ASP 29 9.978 -18.842 28.429 230 HA ASP 29 HA ASP 29 11.930 -18.216 30.392 231 HB2 ASP 29 HB2 ASP 29 11.371 -16.586 28.699 232 HB3 ASP 29 HB3 ASP 29 9.686 -16.569 29.211 233 H SER 30 H SER 30 8.449 -18.684 30.482 234 HA SER 30 HA SER 30 8.110 -17.734 33.151 235 HB2 SER 30 HB2 SER 30 6.217 -17.735 31.638 236 HB3 SER 30 HB3 SER 30 6.350 -19.479 31.414 237 HG SER 30 HG SER 30 4.777 -18.490 33.051 238 H THR 31 H THR 31 8.101 -21.007 31.742 239 HA THR 31 HA THR 31 7.904 -22.419 34.144 240 HB THR 31 HB THR 31 7.560 -23.490 31.969 241 HG1 THR 31 HG1 THR 31 8.051 -24.937 33.573 242 HG21 THR 31 HG21 THR 31 9.284 -23.933 30.431 243 HG22 THR 31 HG22 THR 31 10.543 -23.513 31.592 244 HG23 THR 31 HG23 THR 31 9.525 -22.251 30.899 245 H MET 32 H MET 32 10.698 -21.092 32.475 246 HA MET 32 HA MET 32 12.664 -22.402 34.051 247 HB2 MET 32 HB2 MET 32 13.208 -21.474 31.865 248 HB3 MET 32 HB3 MET 32 12.823 -19.854 32.431 249 HG2 MET 32 HG2 MET 32 15.202 -20.137 32.376 250 HG3 MET 32 HG3 MET 32 14.668 -20.010 34.051 251 HE1 MET 32 HE1 MET 32 17.840 -22.464 33.530 252 HE2 MET 32 HE2 MET 32 17.367 -20.828 33.070 253 HE3 MET 32 HE3 MET 32 17.321 -21.316 34.765 254 H SER 33 H SER 33 10.944 -19.345 34.332 255 HA SER 33 HA SER 33 12.486 -18.560 36.664 256 HB2 SER 33 HB2 SER 33 10.464 -17.266 34.909 257 HB3 SER 33 HB3 SER 33 10.558 -16.700 36.576 258 HG SER 33 HG SER 33 11.959 -15.580 35.079 259 HA PRO 34 HA PRO 34 9.782 -20.057 39.776 260 HB2 PRO 34 HB2 PRO 34 9.772 -18.024 41.574 261 HB3 PRO 34 HB3 PRO 34 11.170 -19.076 41.322 262 HG2 PRO 34 HG2 PRO 34 10.646 -16.332 40.245 263 HG3 PRO 34 HG3 PRO 34 12.144 -17.004 40.915 264 HD2 PRO 34 HD2 PRO 34 11.712 -16.779 38.251 265 HD3 PRO 34 HD3 PRO 34 12.683 -18.088 38.954 266 H LYS 35 H LYS 35 7.728 -19.766 40.848 267 HA LYS 35 HA LYS 35 5.831 -18.368 39.188 268 HB2 LYS 35 HB2 LYS 35 5.343 -19.898 41.749 269 HB3 LYS 35 HB3 LYS 35 4.134 -19.430 40.560 270 HG2 LYS 35 HG2 LYS 35 6.437 -21.213 39.846 271 HG3 LYS 35 HG3 LYS 35 4.944 -21.846 40.545 272 HD2 LYS 35 HD2 LYS 35 3.671 -20.834 38.702 273 HD3 LYS 35 HD3 LYS 35 5.178 -20.242 37.998 274 HE2 LYS 35 HE2 LYS 35 4.529 -22.260 36.864 275 HE3 LYS 35 HE3 LYS 35 5.964 -22.588 37.834 276 HZ1 LYS 35 HZ1 LYS 35 3.448 -23.076 39.176 277 HZ2 LYS 35 HZ2 LYS 35 4.855 -24.014 39.138 278 HZ3 LYS 35 HZ3 LYS 35 3.752 -24.093 37.858 279 H ASN 36 H ASN 36 6.469 -16.185 39.569 280 HA ASN 36 HA ASN 36 6.478 -15.020 42.156 281 HB2 ASN 36 HB2 ASN 36 6.554 -12.879 40.986 282 HB3 ASN 36 HB3 ASN 36 7.658 -14.023 40.230 283 HD21 ASN 36 HD21 ASN 36 7.217 -14.798 38.184 284 HD22 ASN 36 HD22 ASN 36 6.024 -14.084 37.158 285 H ARG 37 H ARG 37 4.027 -15.368 39.649 286 HA ARG 37 HA ARG 37 2.051 -14.206 41.501 287 HB2 ARG 37 HB2 ARG 37 0.672 -13.798 39.442 288 HB3 ARG 37 HB3 ARG 37 2.156 -12.859 39.531 289 HG2 ARG 37 HG2 ARG 37 3.233 -14.517 38.032 290 HG3 ARG 37 HG3 ARG 37 1.668 -15.317 37.866 291 HD2 ARG 37 HD2 ARG 37 2.380 -12.505 37.047 292 HD3 ARG 37 HD3 ARG 37 1.995 -13.859 35.986 293 HE ARG 37 HE ARG 37 0.143 -12.143 37.321 294 HH11 ARG 37 HH11 ARG 37 0.618 -15.370 36.102 295 HH12 ARG 37 HH12 ARG 37 -1.073 -15.673 35.876 296 HH21 ARG 37 HH21 ARG 37 -2.085 -12.531 37.029 297 HH22 ARG 37 HH22 ARG 37 -2.610 -14.057 36.403 298 H LEU 38 H LEU 38 2.743 -16.808 41.919 299 HA LEU 38 HA LEU 38 1.381 -18.782 40.527 300 HB2 LEU 38 HB2 LEU 38 3.076 -19.056 42.380 301 HB3 LEU 38 HB3 LEU 38 1.758 -18.760 43.512 302 HG LEU 38 HG LEU 38 1.461 -20.953 41.516 303 HD11 LEU 38 HD11 LEU 38 2.599 -21.920 43.975 304 HD12 LEU 38 HD12 LEU 38 3.709 -20.818 43.162 305 HD13 LEU 38 HD13 LEU 38 3.089 -22.232 42.310 306 HD21 LEU 38 HD21 LEU 38 0.406 -20.218 44.199 307 HD22 LEU 38 HD22 LEU 38 0.477 -21.924 43.759 308 HD23 LEU 38 HD23 LEU 38 -0.447 -20.795 42.768 309 H GLU 39 H GLU 39 -0.710 -18.868 40.059 310 HA GLU 39 HA GLU 39 -2.687 -17.499 41.621 311 HB2 GLU 39 HB2 GLU 39 -2.906 -19.352 39.247 312 HB3 GLU 39 HB3 GLU 39 -4.287 -18.563 39.994 313 HG2 GLU 39 HG2 GLU 39 -1.933 -17.090 38.842 314 HG3 GLU 39 HG3 GLU 39 -3.416 -17.434 37.955 Start of MODEL 7 1 H1 MET 1 H MET 1 0.306 -0.858 -1.086 2 HA MET 1 HA MET 1 0.350 -0.537 -4.015 3 HB2 MET 1 HB2 MET 1 2.885 -0.441 -3.686 4 HB3 MET 1 HB3 MET 1 1.957 0.969 -3.194 5 HG2 MET 1 HG2 MET 1 2.475 -1.089 -1.134 6 HG3 MET 1 HG3 MET 1 3.845 -0.123 -1.677 7 HE1 MET 1 HE1 MET 1 4.374 2.131 -1.001 8 HE2 MET 1 HE2 MET 1 3.114 2.804 -2.035 9 HE3 MET 1 HE3 MET 1 3.261 3.341 -0.361 10 H ILE 2 H ILE 2 1.216 -2.570 -1.283 11 HA ILE 2 HA ILE 2 2.542 -4.606 -2.695 12 HB ILE 2 HB ILE 2 2.522 -4.325 -0.199 13 HG12 ILE 2 HG12 ILE 2 1.660 -7.124 -0.759 14 HG13 ILE 2 HG13 ILE 2 3.045 -6.496 -1.644 15 HG21 ILE 2 HG21 ILE 2 -0.169 -5.666 -0.433 16 HG22 ILE 2 HG22 ILE 2 0.700 -5.342 1.066 17 HG23 ILE 2 HG23 ILE 2 0.116 -4.003 0.079 18 HD11 ILE 2 HD11 ILE 2 3.032 -7.623 0.896 19 HD12 ILE 2 HD12 ILE 2 4.368 -6.787 0.104 20 HD13 ILE 2 HD13 ILE 2 3.271 -5.896 1.158 21 H SER 3 H SER 3 1.801 -6.716 -3.277 22 HA SER 3 HA SER 3 -0.894 -6.662 -4.387 23 HB2 SER 3 HB2 SER 3 1.410 -8.582 -4.796 24 HB3 SER 3 HB3 SER 3 -0.155 -8.722 -5.595 25 HG SER 3 HG SER 3 0.369 -7.147 -6.899 26 H ASP 4 H ASP 4 -1.887 -9.029 -4.453 27 HA ASP 4 HA ASP 4 -2.636 -9.617 -1.778 28 HB2 ASP 4 HB2 ASP 4 -3.266 -10.772 -4.464 29 HB3 ASP 4 HB3 ASP 4 -3.690 -11.690 -3.022 30 H GLU 5 H GLU 5 -0.588 -11.264 -4.152 31 HA GLU 5 HA GLU 5 -0.065 -13.555 -2.586 32 HB2 GLU 5 HB2 GLU 5 1.872 -13.878 -4.118 33 HB3 GLU 5 HB3 GLU 5 0.349 -13.608 -4.955 34 HG2 GLU 5 HG2 GLU 5 1.255 -11.083 -4.818 35 HG3 GLU 5 HG3 GLU 5 2.784 -11.958 -4.867 36 H GLN 6 H GLN 6 1.713 -10.514 -3.014 37 HA GLN 6 HA GLN 6 3.870 -11.208 -1.315 38 HB2 GLN 6 HB2 GLN 6 2.823 -8.510 -2.184 39 HB3 GLN 6 HB3 GLN 6 4.326 -8.750 -1.304 40 HG2 GLN 6 HG2 GLN 6 4.567 -10.472 -3.434 41 HG3 GLN 6 HG3 GLN 6 3.742 -9.078 -4.128 42 HE21 GLN 6 HE21 GLN 6 6.341 -9.897 -4.806 43 HE22 GLN 6 HE22 GLN 6 7.442 -8.657 -4.321 44 H LEU 7 H LEU 7 1.071 -9.066 -0.767 45 HA LEU 7 HA LEU 7 1.544 -8.483 1.901 46 HB2 LEU 7 HB2 LEU 7 -0.205 -7.513 0.330 47 HB3 LEU 7 HB3 LEU 7 -1.203 -8.903 0.754 48 HG LEU 7 HG LEU 7 -0.134 -7.117 2.903 49 HD11 LEU 7 HD11 LEU 7 -2.700 -6.233 2.436 50 HD12 LEU 7 HD12 LEU 7 -2.011 -6.361 0.818 51 HD13 LEU 7 HD13 LEU 7 -1.213 -5.370 2.040 52 HD21 LEU 7 HD21 LEU 7 -1.169 -8.859 3.933 53 HD22 LEU 7 HD22 LEU 7 -2.255 -9.164 2.577 54 HD23 LEU 7 HD23 LEU 7 -2.575 -7.824 3.679 55 H ASN 8 H ASN 8 -0.187 -11.224 0.479 56 HA ASN 8 HA ASN 8 -1.086 -12.350 2.902 57 HB2 ASN 8 HB2 ASN 8 -0.637 -13.450 0.140 58 HB3 ASN 8 HB3 ASN 8 -1.125 -14.506 1.462 59 HD21 ASN 8 HD21 ASN 8 -3.028 -14.896 0.194 60 HD22 ASN 8 HD22 ASN 8 -4.341 -13.775 0.247 61 H SER 9 H SER 9 1.764 -13.077 0.900 62 HA SER 9 HA SER 9 2.824 -15.116 2.480 63 HB2 SER 9 HB2 SER 9 3.874 -14.949 0.424 64 HB3 SER 9 HB3 SER 9 3.977 -13.190 0.501 65 HG SER 9 HG SER 9 5.827 -14.977 1.166 66 H LEU 10 H LEU 10 3.494 -11.624 2.560 67 HA LEU 10 HA LEU 10 5.344 -11.710 4.678 68 HB2 LEU 10 HB2 LEU 10 5.312 -9.770 3.350 69 HB3 LEU 10 HB3 LEU 10 3.578 -9.548 3.575 70 HG LEU 10 HG LEU 10 4.025 -8.980 5.959 71 HD11 LEU 10 HD11 LEU 10 6.512 -8.221 6.265 72 HD12 LEU 10 HD12 LEU 10 6.822 -9.463 5.053 73 HD13 LEU 10 HD13 LEU 10 6.037 -9.891 6.573 74 HD21 LEU 10 HD21 LEU 10 4.556 -7.430 3.611 75 HD22 LEU 10 HD22 LEU 10 5.614 -6.906 4.921 76 HD23 LEU 10 HD23 LEU 10 3.865 -6.920 5.151 77 H ALA 11 H ALA 11 1.840 -11.468 4.605 78 HA ALA 11 HA ALA 11 1.413 -10.768 7.290 79 HB1 ALA 11 HB1 ALA 11 -0.364 -10.589 5.680 80 HB2 ALA 11 HB2 ALA 11 -0.332 -12.329 5.391 81 HB3 ALA 11 HB3 ALA 11 -0.858 -11.704 6.954 82 H ILE 12 H ILE 12 1.290 -13.985 5.750 83 HA ILE 12 HA ILE 12 0.955 -15.424 8.148 84 HB ILE 12 HB ILE 12 1.681 -17.404 6.846 85 HG12 ILE 12 HG12 ILE 12 2.162 -15.359 4.668 86 HG13 ILE 12 HG13 ILE 12 3.386 -16.351 5.454 87 HG21 ILE 12 HG21 ILE 12 -0.351 -17.555 5.909 88 HG22 ILE 12 HG22 ILE 12 -0.615 -15.962 6.618 89 HG23 ILE 12 HG23 ILE 12 -0.117 -16.105 4.932 90 HD11 ILE 12 HD11 ILE 12 3.055 -17.474 3.484 91 HD12 ILE 12 HD12 ILE 12 1.954 -18.330 4.564 92 HD13 ILE 12 HD13 ILE 12 1.328 -17.119 3.445 93 H THR 13 H THR 13 3.811 -14.355 6.404 94 HA THR 13 HA THR 13 5.736 -15.891 7.745 95 HB THR 13 HB THR 13 6.009 -13.135 6.531 96 HG1 THR 13 HG1 THR 13 6.799 -14.318 4.749 97 HG21 THR 13 HG21 THR 13 8.116 -15.118 7.396 98 HG22 THR 13 HG22 THR 13 7.833 -13.514 8.072 99 HG23 THR 13 HG23 THR 13 8.428 -13.683 6.421 100 H PHE 14 H PHE 14 4.968 -12.447 8.294 101 HA PHE 14 HA PHE 14 6.412 -12.192 10.669 102 HB2 PHE 14 HB2 PHE 14 5.005 -10.480 9.075 103 HB3 PHE 14 HB3 PHE 14 3.969 -10.556 10.496 104 HD1 PHE 14 HD1 PHE 14 4.277 -8.792 11.915 105 HD2 PHE 14 HD2 PHE 14 7.655 -10.423 9.904 106 HE1 PHE 14 HE1 PHE 14 5.736 -7.179 13.065 107 HE2 PHE 14 HE2 PHE 14 9.120 -8.814 11.051 108 HZ PHE 14 HZ PHE 14 8.161 -7.189 12.635 109 H GLY 15 H GLY 15 3.045 -13.116 10.113 110 HA2 GLY 15 HA2 GLY 15 2.151 -13.098 12.760 111 HA3 GLY 15 HA3 GLY 15 1.501 -14.117 11.483 112 H ILE 16 H ILE 16 3.414 -15.863 10.895 113 HA ILE 16 HA ILE 16 3.325 -17.712 12.997 114 HB ILE 16 HB ILE 16 5.192 -17.659 10.624 115 HG12 ILE 16 HG12 ILE 16 2.766 -19.398 10.870 116 HG13 ILE 16 HG13 ILE 16 2.577 -17.719 10.376 117 HG21 ILE 16 HG21 ILE 16 4.756 -19.613 12.806 118 HG22 ILE 16 HG22 ILE 16 4.955 -20.253 11.175 119 HG23 ILE 16 HG23 ILE 16 6.215 -19.245 11.887 120 HD11 ILE 16 HD11 ILE 16 3.689 -20.011 8.914 121 HD12 ILE 16 HD12 ILE 16 2.825 -18.591 8.325 122 HD13 ILE 16 HD13 ILE 16 4.542 -18.482 8.710 123 H VAL 17 H VAL 17 5.989 -15.657 11.853 124 HA VAL 17 HA VAL 17 8.005 -16.535 13.529 125 HB VAL 17 HB VAL 17 7.492 -13.705 12.602 126 HG11 VAL 17 HG11 VAL 17 9.944 -14.999 13.781 127 HG12 VAL 17 HG12 VAL 17 9.964 -13.458 12.921 128 HG13 VAL 17 HG13 VAL 17 9.040 -13.623 14.414 129 HG21 VAL 17 HG21 VAL 17 8.430 -14.228 10.621 130 HG22 VAL 17 HG22 VAL 17 9.581 -15.354 11.342 131 HG23 VAL 17 HG23 VAL 17 7.921 -15.866 11.033 132 H MET 18 H MET 18 5.742 -13.843 14.130 133 HA MET 18 HA MET 18 6.618 -13.253 16.721 134 HB2 MET 18 HB2 MET 18 3.834 -12.915 15.590 135 HB3 MET 18 HB3 MET 18 4.487 -12.086 16.997 136 HG2 MET 18 HG2 MET 18 5.813 -10.701 15.742 137 HG3 MET 18 HG3 MET 18 5.892 -11.827 14.388 138 HE1 MET 18 HE1 MET 18 2.841 -8.565 15.195 139 HE2 MET 18 HE2 MET 18 2.788 -9.915 16.328 140 HE3 MET 18 HE3 MET 18 4.278 -8.992 16.124 141 H MET 19 H MET 19 3.921 -15.313 15.644 142 HA MET 19 HA MET 19 2.979 -16.093 18.134 143 HB2 MET 19 HB2 MET 19 1.896 -16.571 15.930 144 HB3 MET 19 HB3 MET 19 3.092 -17.832 15.664 145 HG2 MET 19 HG2 MET 19 1.387 -19.081 16.490 146 HG3 MET 19 HG3 MET 19 2.222 -18.687 17.991 147 HE1 MET 19 HE1 MET 19 -0.520 -18.468 15.721 148 HE2 MET 19 HE2 MET 19 -1.899 -18.173 16.780 149 HE3 MET 19 HE3 MET 19 -1.137 -16.829 15.928 150 H THR 20 H THR 20 5.505 -17.589 16.138 151 HA THR 20 HA THR 20 6.054 -19.773 17.800 152 HB THR 20 HB THR 20 8.104 -18.332 16.114 153 HG1 THR 20 HG1 THR 20 6.025 -20.126 15.386 154 HG21 THR 20 HG21 THR 20 8.253 -20.617 17.732 155 HG22 THR 20 HG22 THR 20 9.435 -20.069 16.543 156 HG23 THR 20 HG23 THR 20 8.176 -21.211 16.074 157 H LEU 21 H LEU 21 7.754 -16.642 17.596 158 HA LEU 21 HA LEU 21 9.581 -17.033 19.634 159 HB2 LEU 21 HB2 LEU 21 9.141 -15.036 17.965 160 HB3 LEU 21 HB3 LEU 21 8.298 -14.362 19.357 161 HG LEU 21 HG LEU 21 10.555 -13.497 19.235 162 HD11 LEU 21 HD11 LEU 21 11.215 -13.889 21.467 163 HD12 LEU 21 HD12 LEU 21 10.465 -15.485 21.489 164 HD13 LEU 21 HD13 LEU 21 9.458 -14.038 21.445 165 HD21 LEU 21 HD21 LEU 21 11.697 -16.208 19.738 166 HD22 LEU 21 HD22 LEU 21 12.470 -14.765 19.080 167 HD23 LEU 21 HD23 LEU 21 11.354 -15.701 18.084 168 H ILE 22 H ILE 22 6.237 -15.904 19.835 169 HA ILE 22 HA ILE 22 6.254 -15.295 22.592 170 HB ILE 22 HB ILE 22 3.931 -16.108 20.840 171 HG12 ILE 22 HG12 ILE 22 4.472 -13.305 21.718 172 HG13 ILE 22 HG13 ILE 22 5.431 -13.968 20.400 173 HG21 ILE 22 HG21 ILE 22 4.131 -15.433 23.678 174 HG22 ILE 22 HG22 ILE 22 2.924 -14.496 22.799 175 HG23 ILE 22 HG23 ILE 22 2.847 -16.258 22.794 176 HD11 ILE 22 HD11 ILE 22 3.491 -12.713 19.605 177 HD12 ILE 22 HD12 ILE 22 3.419 -14.411 19.130 178 HD13 ILE 22 HD13 ILE 22 2.427 -13.826 20.464 179 H VAL 23 H VAL 23 5.403 -18.231 20.804 180 HA VAL 23 HA VAL 23 4.541 -19.708 23.070 181 HB VAL 23 HB VAL 23 5.558 -20.715 20.408 182 HG11 VAL 23 HG11 VAL 23 5.492 -22.728 21.358 183 HG12 VAL 23 HG12 VAL 23 4.757 -22.086 22.828 184 HG13 VAL 23 HG13 VAL 23 3.742 -22.535 21.457 185 HG21 VAL 23 HG21 VAL 23 3.280 -19.239 20.951 186 HG22 VAL 23 HG22 VAL 23 3.567 -20.235 19.524 187 HG23 VAL 23 HG23 VAL 23 2.707 -20.907 20.910 188 H ILE 24 H ILE 24 7.643 -19.301 21.462 189 HA ILE 24 HA ILE 24 9.008 -21.368 22.840 190 HB ILE 24 HB ILE 24 10.117 -18.870 21.554 191 HG12 ILE 24 HG12 ILE 24 10.309 -21.602 20.360 192 HG13 ILE 24 HG13 ILE 24 8.779 -20.740 20.235 193 HG21 ILE 24 HG21 ILE 24 11.922 -19.509 22.773 194 HG22 ILE 24 HG22 ILE 24 11.387 -21.185 22.893 195 HG23 ILE 24 HG23 ILE 24 12.136 -20.603 21.407 196 HD11 ILE 24 HD11 ILE 24 9.711 -19.042 18.941 197 HD12 ILE 24 HD12 ILE 24 11.359 -19.479 19.392 198 HD13 ILE 24 HD13 ILE 24 10.434 -20.523 18.313 199 H TYR 25 H TYR 25 8.954 -17.839 23.330 200 HA TYR 25 HA TYR 25 10.551 -17.847 25.649 201 HB2 TYR 25 HB2 TYR 25 8.757 -15.902 24.301 202 HB3 TYR 25 HB3 TYR 25 9.125 -15.598 25.995 203 HD1 TYR 25 HD1 TYR 25 10.565 -13.764 25.957 204 HD2 TYR 25 HD2 TYR 25 11.308 -17.037 23.342 205 HE1 TYR 25 HE1 TYR 25 12.712 -12.753 25.310 206 HE2 TYR 25 HE2 TYR 25 13.457 -16.036 22.689 207 HH TYR 25 HH TYR 25 14.522 -12.927 24.045 208 H HIS 26 H HIS 26 7.047 -17.977 25.185 209 HA HIS 26 HA HIS 26 6.371 -17.830 27.933 210 HB2 HIS 26 HB2 HIS 26 4.896 -18.788 25.488 211 HB3 HIS 26 HB3 HIS 26 4.180 -18.888 27.094 212 HD1 HIS 26 HD1 HIS 26 2.358 -17.210 26.114 213 HD2 HIS 26 HD2 HIS 26 6.195 -15.670 26.528 214 HE1 HIS 26 HE1 HIS 26 2.099 -14.712 25.977 215 H ALA 27 H ALA 27 7.112 -20.492 25.761 216 HA ALA 27 HA ALA 27 6.292 -22.587 27.479 217 HB1 ALA 27 HB1 ALA 27 6.532 -23.150 25.215 218 HB2 ALA 27 HB2 ALA 27 8.159 -22.473 25.130 219 HB3 ALA 27 HB3 ALA 27 7.870 -23.964 26.026 220 H VAL 28 H VAL 28 9.537 -21.286 26.768 221 HA VAL 28 HA VAL 28 10.886 -22.849 28.688 222 HB VAL 28 HB VAL 28 12.739 -21.231 28.441 223 HG11 VAL 28 HG11 VAL 28 12.104 -21.461 25.642 224 HG12 VAL 28 HG12 VAL 28 13.310 -22.329 26.594 225 HG13 VAL 28 HG13 VAL 28 11.655 -22.930 26.508 226 HG21 VAL 28 HG21 VAL 28 11.795 -19.128 28.224 227 HG22 VAL 28 HG22 VAL 28 12.314 -19.476 26.575 228 HG23 VAL 28 HG23 VAL 28 10.619 -19.666 27.025 229 H ASP 29 H ASP 29 9.338 -19.697 28.848 230 HA ASP 29 HA ASP 29 10.340 -19.008 31.425 231 HB2 ASP 29 HB2 ASP 29 9.546 -17.292 29.877 232 HB3 ASP 29 HB3 ASP 29 7.925 -17.979 29.922 233 H SER 30 H SER 30 7.457 -20.645 30.250 234 HA SER 30 HA SER 30 6.169 -20.722 32.809 235 HB2 SER 30 HB2 SER 30 4.923 -20.812 30.652 236 HB3 SER 30 HB3 SER 30 5.610 -22.409 30.357 237 HG SER 30 HG SER 30 4.163 -21.818 32.711 238 H THR 31 H THR 31 8.221 -22.886 30.948 239 HA THR 31 HA THR 31 7.896 -25.124 32.703 240 HB THR 31 HB THR 31 10.043 -24.582 30.642 241 HG1 THR 31 HG1 THR 31 8.553 -25.164 29.269 242 HG21 THR 31 HG21 THR 31 10.838 -26.238 32.187 243 HG22 THR 31 HG22 THR 31 10.328 -27.068 30.717 244 HG23 THR 31 HG23 THR 31 9.295 -27.089 32.146 245 H MET 32 H MET 32 10.200 -22.482 32.404 246 HA MET 32 HA MET 32 12.097 -23.513 34.251 247 HB2 MET 32 HB2 MET 32 12.577 -21.754 32.543 248 HB3 MET 32 HB3 MET 32 11.621 -20.626 33.495 249 HG2 MET 32 HG2 MET 32 13.882 -20.216 34.019 250 HG3 MET 32 HG3 MET 32 13.187 -21.059 35.402 251 HE1 MET 32 HE1 MET 32 16.174 -22.958 36.093 252 HE2 MET 32 HE2 MET 32 16.516 -21.345 35.467 253 HE3 MET 32 HE3 MET 32 15.091 -21.618 36.470 254 H SER 33 H SER 33 9.372 -21.273 34.542 255 HA SER 33 HA SER 33 9.299 -21.798 37.411 256 HB2 SER 33 HB2 SER 33 9.875 -19.156 36.165 257 HB3 SER 33 HB3 SER 33 8.797 -19.176 37.561 258 HG SER 33 HG SER 33 10.420 -19.688 38.816 259 HA PRO 34 HA PRO 34 4.942 -21.793 36.905 260 HB2 PRO 34 HB2 PRO 34 4.082 -20.694 39.233 261 HB3 PRO 34 HB3 PRO 34 4.777 -22.316 39.136 262 HG2 PRO 34 HG2 PRO 34 6.070 -19.747 39.968 263 HG3 PRO 34 HG3 PRO 34 6.204 -21.356 40.702 264 HD2 PRO 34 HD2 PRO 34 8.107 -20.339 39.066 265 HD3 PRO 34 HD3 PRO 34 7.746 -22.075 39.147 266 H LYS 35 H LYS 35 2.933 -20.302 37.273 267 HA LYS 35 HA LYS 35 3.162 -18.100 35.573 268 HB2 LYS 35 HB2 LYS 35 1.056 -19.004 37.510 269 HB3 LYS 35 HB3 LYS 35 0.885 -17.467 36.673 270 HG2 LYS 35 HG2 LYS 35 0.859 -18.537 34.548 271 HG3 LYS 35 HG3 LYS 35 1.315 -20.087 35.259 272 HD2 LYS 35 HD2 LYS 35 -0.972 -20.320 34.943 273 HD3 LYS 35 HD3 LYS 35 -0.863 -19.824 36.634 274 HE2 LYS 35 HE2 LYS 35 -1.563 -17.641 36.154 275 HE3 LYS 35 HE3 LYS 35 -1.231 -17.819 34.432 276 HZ1 LYS 35 HZ1 LYS 35 -3.389 -19.208 35.926 277 HZ2 LYS 35 HZ2 LYS 35 -3.071 -19.376 34.274 278 HZ3 LYS 35 HZ3 LYS 35 -3.600 -17.891 34.886 279 H ASN 36 H ASN 36 4.296 -16.316 35.957 280 HA ASN 36 HA ASN 36 5.097 -15.400 38.478 281 HB2 ASN 36 HB2 ASN 36 6.016 -14.830 36.115 282 HB3 ASN 36 HB3 ASN 36 4.802 -13.553 36.125 283 HD21 ASN 36 HD21 ASN 36 7.686 -14.778 37.663 284 HD22 ASN 36 HD22 ASN 36 8.131 -13.302 38.444 285 H ARG 37 H ARG 37 3.967 -14.466 40.038 286 HA ARG 37 HA ARG 37 1.622 -12.841 39.303 287 HB2 ARG 37 HB2 ARG 37 0.575 -13.590 41.431 288 HB3 ARG 37 HB3 ARG 37 0.823 -14.895 40.278 289 HG2 ARG 37 HG2 ARG 37 2.900 -15.499 41.518 290 HG3 ARG 37 HG3 ARG 37 2.455 -14.299 42.733 291 HD2 ARG 37 HD2 ARG 37 0.186 -15.593 42.756 292 HD3 ARG 37 HD3 ARG 37 1.146 -16.897 42.059 293 HE ARG 37 HE ARG 37 1.226 -15.942 44.769 294 HH11 ARG 37 HH11 ARG 37 2.986 -17.592 42.259 295 HH12 ARG 37 HH12 ARG 37 4.023 -18.436 43.361 296 HH21 ARG 37 HH21 ARG 37 2.585 -17.047 46.230 297 HH22 ARG 37 HH22 ARG 37 3.793 -18.126 45.620 298 H LEU 38 H LEU 38 4.202 -13.393 41.657 299 HA LEU 38 HA LEU 38 4.157 -10.525 42.272 300 HB2 LEU 38 HB2 LEU 38 4.171 -12.797 44.238 301 HB3 LEU 38 HB3 LEU 38 4.732 -11.181 44.663 302 HG LEU 38 HG LEU 38 1.946 -11.818 43.696 303 HD11 LEU 38 HD11 LEU 38 1.405 -11.283 46.138 304 HD12 LEU 38 HD12 LEU 38 3.108 -11.615 46.453 305 HD13 LEU 38 HD13 LEU 38 2.076 -12.873 45.775 306 HD21 LEU 38 HD21 LEU 38 2.036 -9.600 43.298 307 HD22 LEU 38 HD22 LEU 38 3.411 -9.351 44.373 308 HD23 LEU 38 HD23 LEU 38 1.784 -9.490 45.040 309 H GLU 39 H GLU 39 6.210 -10.147 43.835 310 HA GLU 39 HA GLU 39 8.476 -9.938 43.875 311 HB2 GLU 39 HB2 GLU 39 8.567 -12.810 42.959 312 HB3 GLU 39 HB3 GLU 39 9.771 -11.943 43.901 313 HG2 GLU 39 HG2 GLU 39 8.043 -11.734 45.715 314 HG3 GLU 39 HG3 GLU 39 7.050 -12.856 44.786 Start of MODEL 8 1 H1 MET 1 H MET 1 4.842 -1.527 -2.174 2 HA MET 1 HA MET 1 2.763 -1.786 -3.064 3 HB2 MET 1 HB2 MET 1 4.160 -1.313 -5.701 4 HB3 MET 1 HB3 MET 1 2.460 -1.038 -5.342 5 HG2 MET 1 HG2 MET 1 4.058 0.430 -3.490 6 HG3 MET 1 HG3 MET 1 4.601 0.771 -5.131 7 HE1 MET 1 HE1 MET 1 3.937 2.216 -6.422 8 HE2 MET 1 HE2 MET 1 2.293 2.151 -7.059 9 HE3 MET 1 HE3 MET 1 2.789 3.498 -6.033 10 H ILE 2 H ILE 2 4.383 -4.169 -2.752 11 HA ILE 2 HA ILE 2 4.152 -5.901 -4.962 12 HB ILE 2 HB ILE 2 4.389 -7.738 -3.285 13 HG12 ILE 2 HG12 ILE 2 4.750 -5.589 -1.214 14 HG13 ILE 2 HG13 ILE 2 3.169 -6.308 -1.497 15 HG21 ILE 2 HG21 ILE 2 6.276 -6.295 -4.303 16 HG22 ILE 2 HG22 ILE 2 6.408 -5.613 -2.683 17 HG23 ILE 2 HG23 ILE 2 6.649 -7.341 -2.933 18 HD11 ILE 2 HD11 ILE 2 5.619 -7.511 -0.327 19 HD12 ILE 2 HD12 ILE 2 3.940 -7.615 0.204 20 HD13 ILE 2 HD13 ILE 2 4.484 -8.550 -1.188 21 H SER 3 H SER 3 2.771 -7.856 -5.041 22 HA SER 3 HA SER 3 0.085 -7.248 -5.205 23 HB2 SER 3 HB2 SER 3 1.337 -9.256 -6.188 24 HB3 SER 3 HB3 SER 3 1.074 -10.040 -4.631 25 HG SER 3 HG SER 3 -0.569 -10.065 -6.598 26 H ASP 4 H ASP 4 -1.735 -8.223 -3.987 27 HA ASP 4 HA ASP 4 -1.543 -7.549 -1.229 28 HB2 ASP 4 HB2 ASP 4 -3.717 -8.737 -2.938 29 HB3 ASP 4 HB3 ASP 4 -3.916 -8.561 -1.197 30 H GLU 5 H GLU 5 -1.597 -10.573 -3.025 31 HA GLU 5 HA GLU 5 -1.959 -12.322 -0.857 32 HB2 GLU 5 HB2 GLU 5 -0.950 -14.038 -2.345 33 HB3 GLU 5 HB3 GLU 5 -2.229 -13.112 -3.118 34 HG2 GLU 5 HG2 GLU 5 -0.083 -11.652 -3.835 35 HG3 GLU 5 HG3 GLU 5 0.641 -13.256 -3.731 36 H GLN 6 H GLN 6 0.978 -11.005 -2.335 37 HA GLN 6 HA GLN 6 2.798 -12.452 -0.722 38 HB2 GLN 6 HB2 GLN 6 3.184 -9.812 -2.144 39 HB3 GLN 6 HB3 GLN 6 4.470 -10.825 -1.503 40 HG2 GLN 6 HG2 GLN 6 2.536 -11.782 -3.590 41 HG3 GLN 6 HG3 GLN 6 4.049 -10.968 -3.985 42 HE21 GLN 6 HE21 GLN 6 5.950 -12.057 -3.812 43 HE22 GLN 6 HE22 GLN 6 6.061 -13.738 -3.431 44 H LEU 7 H LEU 7 1.544 -9.131 -0.493 45 HA LEU 7 HA LEU 7 2.936 -8.416 1.839 46 HB2 LEU 7 HB2 LEU 7 1.535 -7.005 0.144 47 HB3 LEU 7 HB3 LEU 7 0.209 -7.346 1.255 48 HG LEU 7 HG LEU 7 1.216 -5.154 1.670 49 HD11 LEU 7 HD11 LEU 7 2.037 -6.817 4.001 50 HD12 LEU 7 HD12 LEU 7 0.347 -6.814 3.499 51 HD13 LEU 7 HD13 LEU 7 1.132 -5.303 3.955 52 HD21 LEU 7 HD21 LEU 7 3.715 -6.651 2.440 53 HD22 LEU 7 HD22 LEU 7 3.466 -4.905 2.435 54 HD23 LEU 7 HD23 LEU 7 3.507 -5.795 0.912 55 H ASN 8 H ASN 8 -0.424 -9.545 1.449 56 HA ASN 8 HA ASN 8 -1.117 -9.611 4.140 57 HB2 ASN 8 HB2 ASN 8 -2.781 -9.872 2.390 58 HB3 ASN 8 HB3 ASN 8 -2.053 -11.393 1.882 59 HD21 ASN 8 HD21 ASN 8 -3.205 -13.065 2.480 60 HD22 ASN 8 HD22 ASN 8 -4.087 -13.226 3.956 61 H SER 9 H SER 9 0.237 -12.212 2.125 62 HA SER 9 HA SER 9 0.319 -14.193 4.093 63 HB2 SER 9 HB2 SER 9 1.857 -13.721 1.559 64 HB3 SER 9 HB3 SER 9 2.313 -15.046 2.629 65 HG SER 9 HG SER 9 0.403 -15.043 0.837 66 H LEU 10 H LEU 10 2.746 -11.778 3.173 67 HA LEU 10 HA LEU 10 4.768 -12.643 4.927 68 HB2 LEU 10 HB2 LEU 10 4.204 -10.253 3.313 69 HB3 LEU 10 HB3 LEU 10 5.232 -9.977 4.717 70 HG LEU 10 HG LEU 10 6.575 -10.349 2.734 71 HD11 LEU 10 HD11 LEU 10 8.118 -11.524 3.853 72 HD12 LEU 10 HD12 LEU 10 7.056 -12.917 4.054 73 HD13 LEU 10 HD13 LEU 10 6.927 -11.544 5.154 74 HD21 LEU 10 HD21 LEU 10 6.517 -12.791 1.844 75 HD22 LEU 10 HD22 LEU 10 5.334 -11.620 1.260 76 HD23 LEU 10 HD23 LEU 10 4.877 -12.796 2.493 77 H ALA 11 H ALA 11 2.008 -10.528 5.365 78 HA ALA 11 HA ALA 11 2.788 -9.443 7.866 79 HB1 ALA 11 HB1 ALA 11 0.081 -9.730 6.576 80 HB2 ALA 11 HB2 ALA 11 0.372 -8.852 8.079 81 HB3 ALA 11 HB3 ALA 11 1.125 -8.308 6.579 82 H ILE 12 H ILE 12 0.446 -12.012 7.059 83 HA ILE 12 HA ILE 12 -0.126 -12.768 9.690 84 HB ILE 12 HB ILE 12 -0.868 -14.937 8.717 85 HG12 ILE 12 HG12 ILE 12 0.222 -13.726 6.168 86 HG13 ILE 12 HG13 ILE 12 0.793 -15.189 6.963 87 HG21 ILE 12 HG21 ILE 12 -2.739 -14.039 7.594 88 HG22 ILE 12 HG22 ILE 12 -2.239 -12.810 8.755 89 HG23 ILE 12 HG23 ILE 12 -1.830 -12.629 7.049 90 HD11 ILE 12 HD11 ILE 12 -1.420 -14.802 5.123 91 HD12 ILE 12 HD12 ILE 12 -0.539 -16.270 5.552 92 HD13 ILE 12 HD13 ILE 12 -1.869 -15.710 6.566 93 H THR 13 H THR 13 2.406 -13.822 7.477 94 HA THR 13 HA THR 13 3.363 -15.986 9.008 95 HB THR 13 HB THR 13 5.508 -15.642 7.724 96 HG1 THR 13 HG1 THR 13 5.747 -13.710 6.904 97 HG21 THR 13 HG21 THR 13 3.837 -15.655 5.460 98 HG22 THR 13 HG22 THR 13 2.904 -16.381 6.769 99 HG23 THR 13 HG23 THR 13 4.479 -17.045 6.334 100 H PHE 14 H PHE 14 4.701 -12.692 8.677 101 HA PHE 14 HA PHE 14 6.656 -12.932 10.652 102 HB2 PHE 14 HB2 PHE 14 5.277 -10.657 9.315 103 HB3 PHE 14 HB3 PHE 14 6.180 -10.308 10.786 104 HD1 PHE 14 HD1 PHE 14 8.562 -11.708 10.750 105 HD2 PHE 14 HD2 PHE 14 6.425 -10.182 7.400 106 HE1 PHE 14 HE1 PHE 14 10.651 -11.641 9.452 107 HE2 PHE 14 HE2 PHE 14 8.510 -10.113 6.097 108 HZ PHE 14 HZ PHE 14 10.627 -10.844 7.122 109 H GLY 15 H GLY 15 3.251 -12.083 10.882 110 HA2 GLY 15 HA2 GLY 15 3.307 -11.194 13.577 111 HA3 GLY 15 HA3 GLY 15 1.881 -11.715 12.691 112 H ILE 16 H ILE 16 2.225 -14.293 12.182 113 HA ILE 16 HA ILE 16 1.667 -15.570 14.598 114 HB ILE 16 HB ILE 16 2.619 -16.806 12.012 115 HG12 ILE 16 HG12 ILE 16 -0.217 -16.804 12.967 116 HG13 ILE 16 HG13 ILE 16 0.427 -15.356 12.201 117 HG21 ILE 16 HG21 ILE 16 2.835 -18.627 13.318 118 HG22 ILE 16 HG22 ILE 16 1.829 -17.955 14.600 119 HG23 ILE 16 HG23 ILE 16 1.077 -18.690 13.185 120 HD11 ILE 16 HD11 ILE 16 -0.043 -16.251 10.239 121 HD12 ILE 16 HD12 ILE 16 1.155 -17.506 10.555 122 HD13 ILE 16 HD13 ILE 16 -0.531 -17.763 11.004 123 H VAL 17 H VAL 17 4.683 -15.351 12.768 124 HA VAL 17 HA VAL 17 6.177 -17.152 14.345 125 HB VAL 17 HB VAL 17 7.136 -14.809 12.695 126 HG11 VAL 17 HG11 VAL 17 9.198 -16.531 12.692 127 HG12 VAL 17 HG12 VAL 17 9.040 -15.207 13.848 128 HG13 VAL 17 HG13 VAL 17 8.552 -16.840 14.303 129 HG21 VAL 17 HG21 VAL 17 7.224 -16.189 10.872 130 HG22 VAL 17 HG22 VAL 17 7.388 -17.651 11.845 131 HG23 VAL 17 HG23 VAL 17 5.817 -16.863 11.695 132 H MET 18 H MET 18 6.083 -13.586 14.374 133 HA MET 18 HA MET 18 7.770 -13.236 16.579 134 HB2 MET 18 HB2 MET 18 5.528 -11.486 15.555 135 HB3 MET 18 HB3 MET 18 6.704 -10.985 16.763 136 HG2 MET 18 HG2 MET 18 7.682 -12.015 14.150 137 HG3 MET 18 HG3 MET 18 7.011 -10.388 14.232 138 HE1 MET 18 HE1 MET 18 9.043 -9.004 17.237 139 HE2 MET 18 HE2 MET 18 8.739 -8.215 15.690 140 HE3 MET 18 HE3 MET 18 7.457 -9.139 16.476 141 H MET 19 H MET 19 4.214 -13.339 16.425 142 HA MET 19 HA MET 19 3.682 -12.949 19.122 143 HB2 MET 19 HB2 MET 19 1.962 -12.951 17.353 144 HB3 MET 19 HB3 MET 19 2.151 -14.691 17.181 145 HG2 MET 19 HG2 MET 19 0.327 -14.627 18.531 146 HG3 MET 19 HG3 MET 19 1.600 -14.672 19.749 147 HE1 MET 19 HE1 MET 19 -0.300 -12.296 21.866 148 HE2 MET 19 HE2 MET 19 -1.147 -13.563 20.980 149 HE3 MET 19 HE3 MET 19 0.465 -13.868 21.628 150 H THR 20 H THR 20 4.202 -16.001 17.374 151 HA THR 20 HA THR 20 3.851 -17.715 19.568 152 HB THR 20 HB THR 20 5.558 -18.129 17.106 153 HG1 THR 20 HG1 THR 20 3.591 -19.422 16.567 154 HG21 THR 20 HG21 THR 20 4.856 -19.876 19.399 155 HG22 THR 20 HG22 THR 20 6.300 -19.862 18.387 156 HG23 THR 20 HG23 THR 20 4.813 -20.598 17.791 157 H LEU 21 H LEU 21 6.721 -16.079 18.314 158 HA LEU 21 HA LEU 21 8.595 -17.345 20.005 159 HB2 LEU 21 HB2 LEU 21 8.844 -15.778 17.883 160 HB3 LEU 21 HB3 LEU 21 9.026 -14.539 19.123 161 HG LEU 21 HG LEU 21 11.190 -15.339 18.338 162 HD11 LEU 21 HD11 LEU 21 12.180 -15.421 20.404 163 HD12 LEU 21 HD12 LEU 21 10.945 -16.484 21.078 164 HD13 LEU 21 HD13 LEU 21 10.594 -14.774 20.826 165 HD21 LEU 21 HD21 LEU 21 10.990 -17.970 19.604 166 HD22 LEU 21 HD22 LEU 21 11.743 -17.495 18.081 167 HD23 LEU 21 HD23 LEU 21 10.005 -17.790 18.152 168 H ILE 22 H ILE 22 6.540 -14.527 20.395 169 HA ILE 22 HA ILE 22 7.776 -13.559 22.767 170 HB ILE 22 HB ILE 22 4.974 -13.100 21.738 171 HG12 ILE 22 HG12 ILE 22 7.110 -11.034 21.602 172 HG13 ILE 22 HG13 ILE 22 7.216 -12.375 20.466 173 HG21 ILE 22 HG21 ILE 22 6.480 -12.029 24.066 174 HG22 ILE 22 HG22 ILE 22 5.408 -10.939 23.187 175 HG23 ILE 22 HG23 ILE 22 4.766 -12.415 23.908 176 HD11 ILE 22 HD11 ILE 22 4.578 -11.589 20.302 177 HD12 ILE 22 HD12 ILE 22 5.465 -10.073 20.464 178 HD13 ILE 22 HD13 ILE 22 5.866 -11.195 19.164 179 H VAL 23 H VAL 23 4.818 -15.457 22.193 180 HA VAL 23 HA VAL 23 4.141 -15.798 24.904 181 HB VAL 23 HB VAL 23 2.507 -16.199 23.159 182 HG11 VAL 23 HG11 VAL 23 2.627 -18.100 21.668 183 HG12 VAL 23 HG12 VAL 23 4.071 -17.104 21.477 184 HG13 VAL 23 HG13 VAL 23 4.151 -18.609 22.394 185 HG21 VAL 23 HG21 VAL 23 1.513 -18.206 24.011 186 HG22 VAL 23 HG22 VAL 23 3.074 -18.796 24.583 187 HG23 VAL 23 HG23 VAL 23 2.329 -17.390 25.344 188 H ILE 24 H ILE 24 6.164 -17.677 22.715 189 HA ILE 24 HA ILE 24 6.553 -19.851 24.529 190 HB ILE 24 HB ILE 24 8.034 -19.018 22.038 191 HG12 ILE 24 HG12 ILE 24 5.707 -19.894 21.803 192 HG13 ILE 24 HG13 ILE 24 6.918 -20.902 21.018 193 HG21 ILE 24 HG21 ILE 24 8.704 -21.035 24.076 194 HG22 ILE 24 HG22 ILE 24 8.779 -21.582 22.402 195 HG23 ILE 24 HG23 ILE 24 9.740 -20.197 22.921 196 HD11 ILE 24 HD11 ILE 24 6.296 -22.659 22.204 197 HD12 ILE 24 HD12 ILE 24 6.496 -21.775 23.717 198 HD13 ILE 24 HD13 ILE 24 4.967 -21.692 22.844 199 H TYR 25 H TYR 25 8.334 -16.913 23.731 200 HA TYR 25 HA TYR 25 10.671 -17.505 25.197 201 HB2 TYR 25 HB2 TYR 25 10.572 -15.734 23.493 202 HB3 TYR 25 HB3 TYR 25 9.482 -14.806 24.517 203 HD1 TYR 25 HD1 TYR 25 10.354 -13.235 25.990 204 HD2 TYR 25 HD2 TYR 25 12.892 -16.317 24.517 205 HE1 TYR 25 HE1 TYR 25 12.282 -12.156 27.070 206 HE2 TYR 25 HE2 TYR 25 14.827 -15.246 25.595 207 HH TYR 25 HH TYR 25 15.517 -13.102 26.428 208 H HIS 26 H HIS 26 7.735 -15.701 26.052 209 HA HIS 26 HA HIS 26 8.595 -15.090 28.697 210 HB2 HIS 26 HB2 HIS 26 6.004 -14.907 27.211 211 HB3 HIS 26 HB3 HIS 26 6.001 -14.733 28.963 212 HD1 HIS 26 HD1 HIS 26 5.869 -12.328 29.487 213 HD2 HIS 26 HD2 HIS 26 8.381 -13.063 26.259 214 HE1 HIS 26 HE1 HIS 26 6.814 -10.087 28.845 215 H ALA 27 H ALA 27 6.458 -17.563 27.321 216 HA ALA 27 HA ALA 27 5.600 -18.742 29.694 217 HB1 ALA 27 HB1 ALA 27 6.086 -20.036 27.014 218 HB2 ALA 27 HB2 ALA 27 5.162 -20.748 28.337 219 HB3 ALA 27 HB3 ALA 27 4.591 -19.273 27.557 220 H VAL 28 H VAL 28 8.439 -19.503 27.695 221 HA VAL 28 HA VAL 28 9.364 -21.583 29.417 222 HB VAL 28 HB VAL 28 10.857 -20.031 27.298 223 HG11 VAL 28 HG11 VAL 28 12.290 -22.150 27.324 224 HG12 VAL 28 HG12 VAL 28 12.508 -21.001 28.646 225 HG13 VAL 28 HG13 VAL 28 11.563 -22.470 28.898 226 HG21 VAL 28 HG21 VAL 28 9.970 -21.375 25.742 227 HG22 VAL 28 HG22 VAL 28 10.112 -22.806 26.763 228 HG23 VAL 28 HG23 VAL 28 8.732 -21.723 26.949 229 H ASP 29 H ASP 29 10.067 -18.150 29.064 230 HA ASP 29 HA ASP 29 12.305 -18.055 30.777 231 HB2 ASP 29 HB2 ASP 29 11.820 -16.229 29.251 232 HB3 ASP 29 HB3 ASP 29 10.291 -15.912 30.068 233 H SER 30 H SER 30 8.846 -17.853 31.367 234 HA SER 30 HA SER 30 9.151 -17.150 34.140 235 HB2 SER 30 HB2 SER 30 7.156 -16.580 32.633 236 HB3 SER 30 HB3 SER 30 6.648 -18.252 32.867 237 HG SER 30 HG SER 30 6.091 -16.282 34.426 238 H THR 31 H THR 31 8.198 -20.069 32.353 239 HA THR 31 HA THR 31 7.679 -21.759 34.479 240 HB THR 31 HB THR 31 8.972 -22.477 31.841 241 HG1 THR 31 HG1 THR 31 6.241 -22.582 32.654 242 HG21 THR 31 HG21 THR 31 7.538 -24.220 33.849 243 HG22 THR 31 HG22 THR 31 9.265 -24.254 33.492 244 HG23 THR 31 HG23 THR 31 8.100 -24.733 32.259 245 H MET 32 H MET 32 10.770 -20.812 33.092 246 HA MET 32 HA MET 32 12.370 -22.710 34.437 247 HB2 MET 32 HB2 MET 32 13.160 -21.431 32.493 248 HB3 MET 32 HB3 MET 32 13.105 -19.951 33.441 249 HG2 MET 32 HG2 MET 32 14.727 -21.189 35.026 250 HG3 MET 32 HG3 MET 32 14.992 -22.255 33.648 251 HE1 MET 32 HE1 MET 32 17.407 -20.595 31.523 252 HE2 MET 32 HE2 MET 32 16.499 -22.016 32.039 253 HE3 MET 32 HE3 MET 32 15.737 -20.812 30.999 254 H SER 33 H SER 33 11.183 -19.521 35.325 255 HA SER 33 HA SER 33 12.782 -19.252 37.665 256 HB2 SER 33 HB2 SER 33 10.439 -17.821 36.499 257 HB3 SER 33 HB3 SER 33 10.784 -17.577 38.211 258 HG SER 33 HG SER 33 12.791 -16.794 37.685 259 HA PRO 34 HA PRO 34 10.605 -21.590 40.670 260 HB2 PRO 34 HB2 PRO 34 10.700 -19.977 42.852 261 HB3 PRO 34 HB3 PRO 34 12.117 -20.827 42.222 262 HG2 PRO 34 HG2 PRO 34 11.285 -17.979 41.825 263 HG3 PRO 34 HG3 PRO 34 12.897 -18.637 42.161 264 HD2 PRO 34 HD2 PRO 34 12.109 -17.910 39.675 265 HD3 PRO 34 HD3 PRO 34 13.244 -19.244 39.965 266 H LYS 35 H LYS 35 9.559 -18.238 40.301 267 HA LYS 35 HA LYS 35 7.095 -18.510 41.672 268 HB2 LYS 35 HB2 LYS 35 8.274 -16.515 39.789 269 HB3 LYS 35 HB3 LYS 35 6.543 -16.454 40.097 270 HG2 LYS 35 HG2 LYS 35 7.441 -14.970 41.641 271 HG3 LYS 35 HG3 LYS 35 7.179 -16.442 42.578 272 HD2 LYS 35 HD2 LYS 35 9.467 -16.979 42.578 273 HD3 LYS 35 HD3 LYS 35 9.818 -15.845 41.271 274 HE2 LYS 35 HE2 LYS 35 9.211 -13.985 42.805 275 HE3 LYS 35 HE3 LYS 35 9.032 -15.165 44.102 276 HZ1 LYS 35 HZ1 LYS 35 11.406 -15.813 43.571 277 HZ2 LYS 35 HZ2 LYS 35 11.182 -14.317 44.329 278 HZ3 LYS 35 HZ3 LYS 35 11.498 -14.385 42.669 279 H ASN 36 H ASN 36 5.839 -20.189 41.016 280 HA ASN 36 HA ASN 36 5.467 -21.095 38.411 281 HB2 ASN 36 HB2 ASN 36 3.417 -21.200 40.633 282 HB3 ASN 36 HB3 ASN 36 3.529 -22.279 39.245 283 HD21 ASN 36 HD21 ASN 36 5.029 -23.909 39.235 284 HD22 ASN 36 HD22 ASN 36 5.946 -24.352 40.631 285 H ARG 37 H ARG 37 3.106 -21.114 37.439 286 HA ARG 37 HA ARG 37 2.078 -18.357 37.407 287 HB2 ARG 37 HB2 ARG 37 1.750 -18.568 34.958 288 HB3 ARG 37 HB3 ARG 37 3.444 -18.606 35.430 289 HG2 ARG 37 HG2 ARG 37 3.498 -20.351 34.012 290 HG3 ARG 37 HG3 ARG 37 2.925 -21.235 35.427 291 HD2 ARG 37 HD2 ARG 37 1.357 -21.920 33.930 292 HD3 ARG 37 HD3 ARG 37 0.571 -20.444 34.487 293 HE ARG 37 HE ARG 37 0.787 -19.618 32.378 294 HH11 ARG 37 HH11 ARG 37 3.164 -22.121 32.827 295 HH12 ARG 37 HH12 ARG 37 3.730 -22.058 31.190 296 HH21 ARG 37 HH21 ARG 37 1.523 -19.525 30.221 297 HH22 ARG 37 HH22 ARG 37 2.797 -20.580 29.709 298 H LEU 38 H LEU 38 -0.117 -18.131 37.224 299 HA LEU 38 HA LEU 38 -1.709 -20.589 36.956 300 HB2 LEU 38 HB2 LEU 38 -1.866 -18.479 39.077 301 HB3 LEU 38 HB3 LEU 38 -3.274 -19.454 38.661 302 HG LEU 38 HG LEU 38 -0.737 -20.847 39.371 303 HD11 LEU 38 HD11 LEU 38 -0.913 -20.532 41.637 304 HD12 LEU 38 HD12 LEU 38 -2.608 -20.055 41.552 305 HD13 LEU 38 HD13 LEU 38 -1.350 -18.930 41.042 306 HD21 LEU 38 HD21 LEU 38 -2.609 -22.255 40.540 307 HD22 LEU 38 HD22 LEU 38 -2.356 -22.372 38.799 308 HD23 LEU 38 HD23 LEU 38 -3.670 -21.381 39.435 309 H GLU 39 H GLU 39 -2.193 -20.014 34.813 310 HA GLU 39 HA GLU 39 -3.302 -17.480 34.123 311 HB2 GLU 39 HB2 GLU 39 -2.167 -18.793 32.439 312 HB3 GLU 39 HB3 GLU 39 -3.292 -20.125 32.664 313 HG2 GLU 39 HG2 GLU 39 -3.896 -19.002 30.666 314 HG3 GLU 39 HG3 GLU 39 -5.118 -18.624 31.878 Start of MODEL 9 1 H1 MET 1 H MET 1 3.303 -0.348 -1.200 2 HA MET 1 HA MET 1 2.904 -0.571 -3.856 3 HB2 MET 1 HB2 MET 1 5.437 -0.864 -4.060 4 HB3 MET 1 HB3 MET 1 4.860 0.540 -3.173 5 HG2 MET 1 HG2 MET 1 5.266 -1.766 -1.460 6 HG3 MET 1 HG3 MET 1 6.730 -1.287 -2.315 7 HE1 MET 1 HE1 MET 1 6.260 -1.169 0.988 8 HE2 MET 1 HE2 MET 1 5.504 0.327 1.535 9 HE3 MET 1 HE3 MET 1 4.562 -0.857 0.627 10 H ILE 2 H ILE 2 3.927 -3.161 -1.711 11 HA ILE 2 HA ILE 2 4.561 -5.053 -3.716 12 HB ILE 2 HB ILE 2 4.408 -6.738 -1.961 13 HG12 ILE 2 HG12 ILE 2 3.352 -4.520 -0.195 14 HG13 ILE 2 HG13 ILE 2 2.367 -5.813 -0.870 15 HG21 ILE 2 HG21 ILE 2 6.106 -5.871 -0.485 16 HG22 ILE 2 HG22 ILE 2 6.395 -5.276 -2.119 17 HG23 ILE 2 HG23 ILE 2 5.676 -4.214 -0.909 18 HD11 ILE 2 HD11 ILE 2 2.852 -6.418 1.353 19 HD12 ILE 2 HD12 ILE 2 3.879 -7.426 0.333 20 HD13 ILE 2 HD13 ILE 2 4.562 -6.029 1.164 21 H SER 3 H SER 3 3.349 -7.079 -4.101 22 HA SER 3 HA SER 3 0.660 -6.476 -4.886 23 HB2 SER 3 HB2 SER 3 2.165 -9.103 -4.980 24 HB3 SER 3 HB3 SER 3 0.643 -8.759 -5.801 25 HG SER 3 HG SER 3 2.426 -8.498 -7.198 26 H ASP 4 H ASP 4 -1.180 -7.907 -4.360 27 HA ASP 4 HA ASP 4 -1.721 -7.954 -1.634 28 HB2 ASP 4 HB2 ASP 4 -2.986 -9.336 -3.986 29 HB3 ASP 4 HB3 ASP 4 -3.581 -9.609 -2.351 30 H GLU 5 H GLU 5 -0.632 -10.570 -3.763 31 HA GLU 5 HA GLU 5 -0.772 -12.669 -1.930 32 HB2 GLU 5 HB2 GLU 5 0.953 -13.764 -3.357 33 HB3 GLU 5 HB3 GLU 5 -0.409 -13.120 -4.264 34 HG2 GLU 5 HG2 GLU 5 1.072 -11.046 -4.603 35 HG3 GLU 5 HG3 GLU 5 2.396 -12.098 -4.107 36 H GLN 6 H GLN 6 1.859 -10.391 -2.598 37 HA GLN 6 HA GLN 6 3.715 -11.551 -0.804 38 HB2 GLN 6 HB2 GLN 6 4.387 -10.041 -2.621 39 HB3 GLN 6 HB3 GLN 6 3.553 -8.711 -1.829 40 HG2 GLN 6 HG2 GLN 6 5.613 -8.268 -1.050 41 HG3 GLN 6 HG3 GLN 6 5.163 -9.460 0.168 42 HE21 GLN 6 HE21 GLN 6 6.327 -9.597 -3.185 43 HE22 GLN 6 HE22 GLN 6 7.619 -10.700 -2.871 44 H LEU 7 H LEU 7 1.392 -8.898 -0.476 45 HA LEU 7 HA LEU 7 2.124 -8.115 2.124 46 HB2 LEU 7 HB2 LEU 7 0.702 -6.818 0.537 47 HB3 LEU 7 HB3 LEU 7 -0.613 -7.942 0.875 48 HG LEU 7 HG LEU 7 0.656 -6.452 3.132 49 HD11 LEU 7 HD11 LEU 7 0.223 -4.721 1.497 50 HD12 LEU 7 HD12 LEU 7 -0.958 -4.628 2.802 51 HD13 LEU 7 HD13 LEU 7 -1.414 -5.329 1.250 52 HD21 LEU 7 HD21 LEU 7 -0.887 -7.991 3.909 53 HD22 LEU 7 HD22 LEU 7 -1.969 -7.757 2.536 54 HD23 LEU 7 HD23 LEU 7 -1.851 -6.519 3.788 55 H ASN 8 H ASN 8 -0.501 -10.253 1.016 56 HA ASN 8 HA ASN 8 -1.471 -10.952 3.541 57 HB2 ASN 8 HB2 ASN 8 -1.553 -12.296 0.855 58 HB3 ASN 8 HB3 ASN 8 -2.217 -13.099 2.275 59 HD21 ASN 8 HD21 ASN 8 -3.666 -11.580 3.615 60 HD22 ASN 8 HD22 ASN 8 -4.828 -10.680 2.707 61 H SER 9 H SER 9 0.911 -12.613 1.486 62 HA SER 9 HA SER 9 1.430 -14.786 3.137 63 HB2 SER 9 HB2 SER 9 2.266 -14.552 0.811 64 HB3 SER 9 HB3 SER 9 3.421 -13.342 1.370 65 HG SER 9 HG SER 9 4.158 -15.620 1.193 66 H LEU 10 H LEU 10 3.055 -11.625 3.045 67 HA LEU 10 HA LEU 10 4.891 -12.148 5.109 68 HB2 LEU 10 HB2 LEU 10 4.493 -10.115 3.364 69 HB3 LEU 10 HB3 LEU 10 3.918 -9.383 4.860 70 HG LEU 10 HG LEU 10 6.301 -10.415 5.663 71 HD11 LEU 10 HD11 LEU 10 7.909 -9.641 3.869 72 HD12 LEU 10 HD12 LEU 10 6.539 -9.679 2.759 73 HD13 LEU 10 HD13 LEU 10 7.065 -11.159 3.561 74 HD21 LEU 10 HD21 LEU 10 6.209 -8.286 6.323 75 HD22 LEU 10 HD22 LEU 10 5.219 -7.812 4.943 76 HD23 LEU 10 HD23 LEU 10 6.974 -7.893 4.783 77 H ALA 11 H ALA 11 1.585 -10.960 5.137 78 HA ALA 11 HA ALA 11 1.483 -10.097 7.811 79 HB1 ALA 11 HB1 ALA 11 -0.340 -10.407 5.647 80 HB2 ALA 11 HB2 ALA 11 -1.055 -11.120 7.093 81 HB3 ALA 11 HB3 ALA 11 -0.516 -9.441 7.112 82 H ILE 12 H ILE 12 0.389 -13.180 6.384 83 HA ILE 12 HA ILE 12 -0.243 -14.414 8.832 84 HB ILE 12 HB ILE 12 -0.125 -16.552 7.571 85 HG12 ILE 12 HG12 ILE 12 0.789 -14.753 5.316 86 HG13 ILE 12 HG13 ILE 12 1.739 -16.018 6.088 87 HG21 ILE 12 HG21 ILE 12 -2.105 -14.974 7.570 88 HG22 ILE 12 HG22 ILE 12 -1.570 -14.455 5.973 89 HG23 ILE 12 HG23 ILE 12 -2.033 -16.134 6.245 90 HD11 ILE 12 HD11 ILE 12 -0.588 -16.277 4.232 91 HD12 ILE 12 HD12 ILE 12 1.018 -16.997 4.120 92 HD13 ILE 12 HD13 ILE 12 -0.135 -17.595 5.311 93 H THR 13 H THR 13 2.738 -14.231 6.981 94 HA THR 13 HA THR 13 4.201 -16.209 8.326 95 HB THR 13 HB THR 13 5.196 -13.672 7.015 96 HG1 THR 13 HG1 THR 13 4.930 -14.758 5.223 97 HG21 THR 13 HG21 THR 13 7.087 -14.249 8.140 98 HG22 THR 13 HG22 THR 13 7.253 -15.374 6.792 99 HG23 THR 13 HG23 THR 13 6.592 -15.930 8.329 100 H PHE 14 H PHE 14 4.307 -12.673 8.814 101 HA PHE 14 HA PHE 14 5.900 -12.748 11.119 102 HB2 PHE 14 HB2 PHE 14 4.097 -10.727 9.865 103 HB3 PHE 14 HB3 PHE 14 4.644 -10.445 11.515 104 HD1 PHE 14 HD1 PHE 14 6.486 -9.111 11.731 105 HD2 PHE 14 HD2 PHE 14 6.127 -11.571 8.276 106 HE1 PHE 14 HE1 PHE 14 8.608 -8.209 10.873 107 HE2 PHE 14 HE2 PHE 14 8.249 -10.674 7.413 108 HZ PHE 14 HZ PHE 14 9.493 -8.992 8.712 109 H GLY 15 H GLY 15 2.403 -12.880 10.690 110 HA2 GLY 15 HA2 GLY 15 1.668 -12.573 13.390 111 HA3 GLY 15 HA3 GLY 15 0.703 -13.364 12.153 112 H ILE 16 H ILE 16 2.208 -15.529 11.484 113 HA ILE 16 HA ILE 16 1.648 -17.327 13.579 114 HB ILE 16 HB ILE 16 3.392 -17.721 11.145 115 HG12 ILE 16 HG12 ILE 16 0.633 -18.832 11.469 116 HG13 ILE 16 HG13 ILE 16 0.821 -17.140 11.021 117 HG21 ILE 16 HG21 ILE 16 2.273 -19.693 13.126 118 HG22 ILE 16 HG22 ILE 16 2.911 -20.147 11.546 119 HG23 ILE 16 HG23 ILE 16 3.968 -19.394 12.740 120 HD11 ILE 16 HD11 ILE 16 2.378 -18.060 9.174 121 HD12 ILE 16 HD12 ILE 16 1.566 -19.592 9.497 122 HD13 ILE 16 HD13 ILE 16 0.630 -18.189 8.982 123 H VAL 17 H VAL 17 4.792 -16.287 12.250 124 HA VAL 17 HA VAL 17 6.426 -17.595 14.076 125 HB VAL 17 HB VAL 17 7.208 -16.446 12.002 126 HG11 VAL 17 HG11 VAL 17 5.970 -14.343 12.339 127 HG12 VAL 17 HG12 VAL 17 7.038 -13.950 13.687 128 HG13 VAL 17 HG13 VAL 17 7.688 -14.072 12.052 129 HG21 VAL 17 HG21 VAL 17 9.367 -15.950 12.839 130 HG22 VAL 17 HG22 VAL 17 8.731 -15.511 14.424 131 HG23 VAL 17 HG23 VAL 17 8.702 -17.194 13.898 132 H MET 18 H MET 18 4.756 -14.512 14.338 133 HA MET 18 HA MET 18 6.058 -13.613 16.686 134 HB2 MET 18 HB2 MET 18 4.848 -12.058 15.281 135 HB3 MET 18 HB3 MET 18 3.346 -12.934 15.539 136 HG2 MET 18 HG2 MET 18 3.109 -12.161 17.701 137 HG3 MET 18 HG3 MET 18 4.824 -11.787 17.863 138 HE1 MET 18 HE1 MET 18 1.427 -9.191 16.650 139 HE2 MET 18 HE2 MET 18 1.745 -10.317 15.329 140 HE3 MET 18 HE3 MET 18 1.443 -10.928 16.956 141 H MET 19 H MET 19 2.926 -15.234 16.183 142 HA MET 19 HA MET 19 2.135 -15.388 18.844 143 HB2 MET 19 HB2 MET 19 0.868 -16.016 16.668 144 HB3 MET 19 HB3 MET 19 1.573 -17.610 16.903 145 HG2 MET 19 HG2 MET 19 0.124 -16.322 19.161 146 HG3 MET 19 HG3 MET 19 -0.797 -17.032 17.837 147 HE1 MET 19 HE1 MET 19 -1.928 -19.223 18.666 148 HE2 MET 19 HE2 MET 19 -0.917 -19.449 17.239 149 HE3 MET 19 HE3 MET 19 -0.888 -20.642 18.538 150 H THR 20 H THR 20 4.009 -17.723 16.928 151 HA THR 20 HA THR 20 4.317 -19.652 18.943 152 HB THR 20 HB THR 20 6.536 -19.270 16.997 153 HG1 THR 20 HG1 THR 20 3.937 -20.143 16.215 154 HG21 THR 20 HG21 THR 20 5.183 -21.818 16.996 155 HG22 THR 20 HG22 THR 20 5.589 -21.325 18.641 156 HG23 THR 20 HG23 THR 20 6.852 -21.438 17.416 157 H LEU 21 H LEU 21 6.407 -16.942 17.990 158 HA LEU 21 HA LEU 21 8.499 -17.436 19.778 159 HB2 LEU 21 HB2 LEU 21 8.224 -15.719 17.816 160 HB3 LEU 21 HB3 LEU 21 7.693 -14.643 19.107 161 HG LEU 21 HG LEU 21 10.366 -16.040 19.043 162 HD11 LEU 21 HD11 LEU 21 10.011 -13.112 18.609 163 HD12 LEU 21 HD12 LEU 21 9.795 -14.221 17.255 164 HD13 LEU 21 HD13 LEU 21 11.332 -14.174 18.119 165 HD21 LEU 21 HD21 LEU 21 9.039 -14.110 20.899 166 HD22 LEU 21 HD22 LEU 21 10.794 -14.097 20.718 167 HD23 LEU 21 HD23 LEU 21 9.975 -15.560 21.267 168 H ILE 22 H ILE 22 5.433 -15.778 20.204 169 HA ILE 22 HA ILE 22 6.024 -14.645 22.740 170 HB ILE 22 HB ILE 22 3.365 -15.299 21.467 171 HG12 ILE 22 HG12 ILE 22 4.438 -12.535 21.836 172 HG13 ILE 22 HG13 ILE 22 5.092 -13.520 20.532 173 HG21 ILE 22 HG21 ILE 22 2.810 -15.150 23.704 174 HG22 ILE 22 HG22 ILE 22 4.071 -13.967 24.046 175 HG23 ILE 22 HG23 ILE 22 2.622 -13.480 23.168 176 HD11 ILE 22 HD11 ILE 22 3.199 -11.998 19.914 177 HD12 ILE 22 HD12 ILE 22 2.977 -13.696 19.491 178 HD13 ILE 22 HD13 ILE 22 2.153 -13.022 20.897 179 H VAL 23 H VAL 23 4.116 -17.510 21.808 180 HA VAL 23 HA VAL 23 3.609 -18.391 24.433 181 HB VAL 23 HB VAL 23 2.296 -19.211 22.562 182 HG11 VAL 23 HG11 VAL 23 3.206 -20.782 20.939 183 HG12 VAL 23 HG12 VAL 23 4.079 -19.250 20.880 184 HG13 VAL 23 HG13 VAL 23 4.800 -20.646 21.682 185 HG21 VAL 23 HG21 VAL 23 3.142 -20.690 24.686 186 HG22 VAL 23 HG22 VAL 23 1.880 -21.182 23.556 187 HG23 VAL 23 HG23 VAL 23 3.534 -21.753 23.335 188 H ILE 24 H ILE 24 6.263 -18.995 22.206 189 HA ILE 24 HA ILE 24 7.469 -21.059 23.768 190 HB ILE 24 HB ILE 24 8.580 -19.325 21.563 191 HG12 ILE 24 HG12 ILE 24 7.988 -22.273 21.459 192 HG13 ILE 24 HG13 ILE 24 6.730 -21.083 21.150 193 HG21 ILE 24 HG21 ILE 24 9.840 -21.555 23.127 194 HG22 ILE 24 HG22 ILE 24 10.371 -21.143 21.498 195 HG23 ILE 24 HG23 ILE 24 10.478 -19.947 22.789 196 HD11 ILE 24 HD11 ILE 24 7.891 -20.237 19.258 197 HD12 ILE 24 HD12 ILE 24 9.326 -21.187 19.642 198 HD13 ILE 24 HD13 ILE 24 7.848 -21.994 19.119 199 H TYR 25 H TYR 25 8.407 -17.670 23.159 200 HA TYR 25 HA TYR 25 10.518 -17.555 24.967 201 HB2 TYR 25 HB2 TYR 25 10.042 -15.824 23.266 202 HB3 TYR 25 HB3 TYR 25 8.641 -15.309 24.199 203 HD1 TYR 25 HD1 TYR 25 8.870 -13.754 25.944 204 HD2 TYR 25 HD2 TYR 25 12.340 -15.620 24.338 205 HE1 TYR 25 HE1 TYR 25 10.289 -12.211 27.231 206 HE2 TYR 25 HE2 TYR 25 13.768 -14.083 25.621 207 HH TYR 25 HH TYR 25 12.463 -11.947 28.036 208 H HIS 26 H HIS 26 7.068 -16.978 25.463 209 HA HIS 26 HA HIS 26 7.315 -16.116 28.163 210 HB2 HIS 26 HB2 HIS 26 5.354 -15.670 26.632 211 HB3 HIS 26 HB3 HIS 26 4.873 -17.346 26.878 212 HD1 HIS 26 HD1 HIS 26 6.248 -15.490 29.789 213 HD2 HIS 26 HD2 HIS 26 2.534 -16.453 28.193 214 HE1 HIS 26 HE1 HIS 26 4.582 -14.971 31.600 215 H ALA 27 H ALA 27 6.492 -19.223 26.659 216 HA ALA 27 HA ALA 27 5.923 -20.692 28.940 217 HB1 ALA 27 HB1 ALA 27 7.171 -21.533 26.334 218 HB2 ALA 27 HB2 ALA 27 6.696 -22.674 27.592 219 HB3 ALA 27 HB3 ALA 27 5.480 -21.656 26.821 220 H VAL 28 H VAL 28 9.071 -20.247 27.337 221 HA VAL 28 HA VAL 28 10.509 -21.734 29.305 222 HB VAL 28 HB VAL 28 11.355 -21.502 27.016 223 HG11 VAL 28 HG11 VAL 28 10.551 -19.092 26.822 224 HG12 VAL 28 HG12 VAL 28 12.047 -18.647 27.647 225 HG13 VAL 28 HG13 VAL 28 12.109 -19.479 26.092 226 HG21 VAL 28 HG21 VAL 28 13.547 -20.129 28.297 227 HG22 VAL 28 HG22 VAL 28 12.818 -21.314 29.380 228 HG23 VAL 28 HG23 VAL 28 13.416 -21.815 27.798 229 H ASP 29 H ASP 29 9.759 -18.340 28.809 230 HA ASP 29 HA ASP 29 11.559 -17.198 30.611 231 HB2 ASP 29 HB2 ASP 29 10.337 -15.780 29.116 232 HB3 ASP 29 HB3 ASP 29 8.793 -16.332 29.761 233 H SER 30 H SER 30 8.329 -18.540 31.135 234 HA SER 30 HA SER 30 8.358 -17.899 33.948 235 HB2 SER 30 HB2 SER 30 6.235 -17.897 32.736 236 HB3 SER 30 HB3 SER 30 6.450 -19.598 32.322 237 HG SER 30 HG SER 30 5.741 -20.127 34.225 238 H THR 31 H THR 31 8.533 -20.863 31.996 239 HA THR 31 HA THR 31 8.711 -22.733 34.025 240 HB THR 31 HB THR 31 10.129 -22.785 31.354 241 HG1 THR 31 HG1 THR 31 7.532 -23.436 32.224 242 HG21 THR 31 HG21 THR 31 10.176 -25.217 31.643 243 HG22 THR 31 HG22 THR 31 9.471 -25.043 33.251 244 HG23 THR 31 HG23 THR 31 11.083 -24.408 32.921 245 H MET 32 H MET 32 11.245 -20.709 32.633 246 HA MET 32 HA MET 32 13.416 -21.939 33.967 247 HB2 MET 32 HB2 MET 32 12.983 -19.361 32.534 248 HB3 MET 32 HB3 MET 32 14.407 -19.511 33.555 249 HG2 MET 32 HG2 MET 32 13.742 -21.537 31.448 250 HG3 MET 32 HG3 MET 32 14.658 -20.075 31.091 251 HE1 MET 32 HE1 MET 32 16.941 -22.075 30.331 252 HE2 MET 32 HE2 MET 32 16.719 -20.342 30.570 253 HE3 MET 32 HE3 MET 32 18.023 -21.187 31.405 254 H SER 33 H SER 33 11.219 -19.333 34.828 255 HA SER 33 HA SER 33 12.628 -18.413 37.099 256 HB2 SER 33 HB2 SER 33 9.860 -18.109 36.039 257 HB3 SER 33 HB3 SER 33 10.133 -17.711 37.735 258 HG SER 33 HG SER 33 10.738 -15.865 36.909 259 HA PRO 34 HA PRO 34 11.760 -21.351 40.238 260 HB2 PRO 34 HB2 PRO 34 11.278 -19.778 42.397 261 HB3 PRO 34 HB3 PRO 34 12.889 -19.984 41.699 262 HG2 PRO 34 HG2 PRO 34 10.933 -17.748 41.324 263 HG3 PRO 34 HG3 PRO 34 12.687 -17.670 41.577 264 HD2 PRO 34 HD2 PRO 34 11.554 -17.410 39.131 265 HD3 PRO 34 HD3 PRO 34 13.152 -18.145 39.370 266 H LYS 35 H LYS 35 9.448 -18.637 40.324 267 HA LYS 35 HA LYS 35 7.328 -20.563 41.007 268 HB2 LYS 35 HB2 LYS 35 6.068 -18.456 41.712 269 HB3 LYS 35 HB3 LYS 35 7.414 -18.958 42.727 270 HG2 LYS 35 HG2 LYS 35 8.559 -17.084 42.333 271 HG3 LYS 35 HG3 LYS 35 8.183 -17.105 40.608 272 HD2 LYS 35 HD2 LYS 35 7.156 -15.158 41.441 273 HD3 LYS 35 HD3 LYS 35 5.849 -16.331 41.271 274 HE2 LYS 35 HE2 LYS 35 7.297 -16.101 43.872 275 HE3 LYS 35 HE3 LYS 35 6.077 -14.901 43.450 276 HZ1 LYS 35 HZ1 LYS 35 5.758 -17.703 44.149 277 HZ2 LYS 35 HZ2 LYS 35 4.761 -17.139 42.904 278 HZ3 LYS 35 HZ3 LYS 35 4.722 -16.393 44.421 279 H ASN 36 H ASN 36 5.204 -20.185 40.055 280 HA ASN 36 HA ASN 36 5.376 -19.793 37.243 281 HB2 ASN 36 HB2 ASN 36 3.175 -20.401 39.177 282 HB3 ASN 36 HB3 ASN 36 2.755 -19.883 37.547 283 HD21 ASN 36 HD21 ASN 36 2.063 -21.677 36.594 284 HD22 ASN 36 HD22 ASN 36 2.950 -23.156 36.484 285 H ARG 37 H ARG 37 3.832 -18.327 36.062 286 HA ARG 37 HA ARG 37 4.076 -15.638 37.183 287 HB2 ARG 37 HB2 ARG 37 3.321 -16.475 34.378 288 HB3 ARG 37 HB3 ARG 37 3.696 -14.844 34.917 289 HG2 ARG 37 HG2 ARG 37 5.701 -17.049 35.184 290 HG3 ARG 37 HG3 ARG 37 5.496 -16.177 33.664 291 HD2 ARG 37 HD2 ARG 37 7.168 -14.962 34.693 292 HD3 ARG 37 HD3 ARG 37 5.724 -14.060 35.151 293 HE ARG 37 HE ARG 37 6.091 -15.859 37.176 294 HH11 ARG 37 HH11 ARG 37 8.026 -13.373 35.694 295 HH12 ARG 37 HH12 ARG 37 8.911 -13.018 37.140 296 HH21 ARG 37 HH21 ARG 37 7.249 -15.400 39.086 297 HH22 ARG 37 HH22 ARG 37 8.469 -14.172 39.069 298 H LEU 38 H LEU 38 1.654 -17.796 35.756 299 HA LEU 38 HA LEU 38 -0.511 -15.969 36.094 300 HB2 LEU 38 HB2 LEU 38 -0.615 -18.960 35.748 301 HB3 LEU 38 HB3 LEU 38 -1.934 -17.823 35.479 302 HG LEU 38 HG LEU 38 0.599 -17.708 33.867 303 HD11 LEU 38 HD11 LEU 38 -0.103 -19.914 33.471 304 HD12 LEU 38 HD12 LEU 38 -0.762 -18.972 32.134 305 HD13 LEU 38 HD13 LEU 38 -1.807 -19.461 33.467 306 HD21 LEU 38 HD21 LEU 38 -0.864 -16.608 32.248 307 HD22 LEU 38 HD22 LEU 38 -0.870 -15.762 33.796 308 HD23 LEU 38 HD23 LEU 38 -2.229 -16.795 33.348 309 H GLU 39 H GLU 39 -1.765 -15.612 37.815 310 HA GLU 39 HA GLU 39 -1.087 -16.550 40.365 311 HB2 GLU 39 HB2 GLU 39 -3.762 -15.429 39.518 312 HB3 GLU 39 HB3 GLU 39 -3.093 -15.446 41.144 313 HG2 GLU 39 HG2 GLU 39 -1.334 -13.920 40.460 314 HG3 GLU 39 HG3 GLU 39 -1.949 -13.931 38.808 Start of MODEL 10 1 H1 MET 1 H MET 1 6.919 -2.379 -5.797 2 HA MET 1 HA MET 1 6.734 -4.970 -6.724 3 HB2 MET 1 HB2 MET 1 8.285 -3.650 -4.549 4 HB3 MET 1 HB3 MET 1 8.275 -5.408 -4.600 5 HG2 MET 1 HG2 MET 1 8.863 -4.980 -7.138 6 HG3 MET 1 HG3 MET 1 9.467 -3.458 -6.487 7 HE1 MET 1 HE1 MET 1 10.032 -6.940 -7.310 8 HE2 MET 1 HE2 MET 1 11.374 -7.530 -6.329 9 HE3 MET 1 HE3 MET 1 9.745 -7.472 -5.653 10 H ILE 2 H ILE 2 5.852 -3.754 -3.499 11 HA ILE 2 HA ILE 2 4.957 -6.239 -2.495 12 HB ILE 2 HB ILE 2 5.515 -4.427 -0.983 13 HG12 ILE 2 HG12 ILE 2 3.519 -4.505 0.480 14 HG13 ILE 2 HG13 ILE 2 2.579 -5.150 -0.860 15 HG21 ILE 2 HG21 ILE 2 3.999 -2.866 -2.756 16 HG22 ILE 2 HG22 ILE 2 3.162 -2.808 -1.206 17 HG23 ILE 2 HG23 ILE 2 4.857 -2.333 -1.310 18 HD11 ILE 2 HD11 ILE 2 4.181 -6.534 1.034 19 HD12 ILE 2 HD12 ILE 2 3.162 -7.188 -0.249 20 HD13 ILE 2 HD13 ILE 2 4.850 -6.793 -0.577 21 H SER 3 H SER 3 3.168 -7.348 -2.907 22 HA SER 3 HA SER 3 0.930 -5.954 -4.221 23 HB2 SER 3 HB2 SER 3 2.135 -8.653 -4.613 24 HB3 SER 3 HB3 SER 3 0.395 -8.489 -4.847 25 HG SER 3 HG SER 3 0.832 -7.641 -6.706 26 H ASP 4 H ASP 4 -1.173 -7.393 -3.923 27 HA ASP 4 HA ASP 4 -1.919 -7.147 -1.222 28 HB2 ASP 4 HB2 ASP 4 -3.199 -8.410 -3.628 29 HB3 ASP 4 HB3 ASP 4 -3.934 -8.580 -2.036 30 H GLU 5 H GLU 5 -1.150 -10.003 -3.186 31 HA GLU 5 HA GLU 5 -1.634 -11.907 -1.161 32 HB2 GLU 5 HB2 GLU 5 -0.270 -13.430 -2.578 33 HB3 GLU 5 HB3 GLU 5 -1.540 -12.599 -3.466 34 HG2 GLU 5 HG2 GLU 5 0.570 -10.905 -3.788 35 HG3 GLU 5 HG3 GLU 5 1.361 -12.480 -3.775 36 H GLN 6 H GLN 6 1.269 -10.145 -2.132 37 HA GLN 6 HA GLN 6 3.054 -11.520 -0.415 38 HB2 GLN 6 HB2 GLN 6 3.293 -8.720 -1.527 39 HB3 GLN 6 HB3 GLN 6 4.603 -9.689 -0.866 40 HG2 GLN 6 HG2 GLN 6 4.193 -11.350 -2.675 41 HG3 GLN 6 HG3 GLN 6 3.033 -10.222 -3.374 42 HE21 GLN 6 HE21 GLN 6 4.307 -10.149 -5.264 43 HE22 GLN 6 HE22 GLN 6 5.756 -9.210 -5.329 44 H LEU 7 H LEU 7 1.220 -8.508 -0.076 45 HA LEU 7 HA LEU 7 2.260 -7.757 2.429 46 HB2 LEU 7 HB2 LEU 7 0.783 -6.468 0.702 47 HB3 LEU 7 HB3 LEU 7 -0.552 -7.132 1.642 48 HG LEU 7 HG LEU 7 -0.003 -4.843 2.314 49 HD11 LEU 7 HD11 LEU 7 -0.157 -5.197 4.604 50 HD12 LEU 7 HD12 LEU 7 0.862 -6.635 4.552 51 HD13 LEU 7 HD13 LEU 7 -0.784 -6.697 3.921 52 HD21 LEU 7 HD21 LEU 7 2.107 -4.169 2.394 53 HD22 LEU 7 HD22 LEU 7 2.673 -5.819 2.136 54 HD23 LEU 7 HD23 LEU 7 2.379 -5.233 3.774 55 H ASN 8 H ASN 8 -0.765 -9.448 1.599 56 HA ASN 8 HA ASN 8 -1.653 -9.872 4.215 57 HB2 ASN 8 HB2 ASN 8 -3.226 -10.239 2.496 58 HB3 ASN 8 HB3 ASN 8 -2.152 -11.333 1.630 59 HD21 ASN 8 HD21 ASN 8 -3.820 -11.005 4.737 60 HD22 ASN 8 HD22 ASN 8 -4.211 -12.680 4.899 61 H SER 9 H SER 9 0.248 -11.999 2.090 62 HA SER 9 HA SER 9 0.504 -14.165 3.813 63 HB2 SER 9 HB2 SER 9 2.377 -14.853 2.463 64 HB3 SER 9 HB3 SER 9 1.194 -14.097 1.396 65 HG SER 9 HG SER 9 3.736 -13.434 1.754 66 H LEU 10 H LEU 10 2.628 -11.338 3.452 67 HA LEU 10 HA LEU 10 4.507 -12.098 5.402 68 HB2 LEU 10 HB2 LEU 10 3.716 -9.442 4.247 69 HB3 LEU 10 HB3 LEU 10 4.969 -9.585 5.477 70 HG LEU 10 HG LEU 10 5.080 -10.997 2.817 71 HD11 LEU 10 HD11 LEU 10 6.114 -8.301 3.646 72 HD12 LEU 10 HD12 LEU 10 5.115 -8.714 2.252 73 HD13 LEU 10 HD13 LEU 10 6.806 -9.212 2.304 74 HD21 LEU 10 HD21 LEU 10 7.620 -10.710 3.643 75 HD22 LEU 10 HD22 LEU 10 6.629 -12.121 4.015 76 HD23 LEU 10 HD23 LEU 10 6.807 -10.829 5.204 77 H ALA 11 H ALA 11 1.464 -10.354 5.606 78 HA ALA 11 HA ALA 11 1.721 -9.395 8.237 79 HB1 ALA 11 HB1 ALA 11 -0.735 -9.195 8.193 80 HB2 ALA 11 HB2 ALA 11 0.025 -8.535 6.745 81 HB3 ALA 11 HB3 ALA 11 -0.763 -10.111 6.686 82 H ILE 12 H ILE 12 -0.003 -12.279 7.036 83 HA ILE 12 HA ILE 12 -0.656 -13.301 9.571 84 HB ILE 12 HB ILE 12 -0.993 -15.470 8.405 85 HG12 ILE 12 HG12 ILE 12 0.064 -13.935 6.022 86 HG13 ILE 12 HG13 ILE 12 0.820 -15.331 6.783 87 HG21 ILE 12 HG21 ILE 12 -2.511 -13.265 8.311 88 HG22 ILE 12 HG22 ILE 12 -2.243 -13.509 6.586 89 HG23 ILE 12 HG23 ILE 12 -2.975 -14.788 7.554 90 HD11 ILE 12 HD11 ILE 12 -0.213 -16.153 4.856 91 HD12 ILE 12 HD12 ILE 12 -1.294 -16.601 6.176 92 HD13 ILE 12 HD13 ILE 12 -1.685 -15.226 5.144 93 H THR 13 H THR 13 2.168 -13.727 7.517 94 HA THR 13 HA THR 13 3.362 -15.871 8.870 95 HB THR 13 HB THR 13 4.684 -13.607 7.364 96 HG1 THR 13 HG1 THR 13 3.516 -16.052 6.637 97 HG21 THR 13 HG21 THR 13 6.550 -14.456 8.318 98 HG22 THR 13 HG22 THR 13 6.353 -15.724 7.109 99 HG23 THR 13 HG23 THR 13 5.763 -15.972 8.752 100 H PHE 14 H PHE 14 4.060 -12.384 9.180 101 HA PHE 14 HA PHE 14 5.813 -12.627 11.354 102 HB2 PHE 14 HB2 PHE 14 4.237 -10.395 10.153 103 HB3 PHE 14 HB3 PHE 14 4.958 -10.146 11.740 104 HD1 PHE 14 HD1 PHE 14 6.956 -9.040 11.709 105 HD2 PHE 14 HD2 PHE 14 6.011 -11.661 8.492 106 HE1 PHE 14 HE1 PHE 14 9.110 -8.507 10.647 107 HE2 PHE 14 HE2 PHE 14 8.164 -11.133 7.424 108 HZ PHE 14 HZ PHE 14 9.716 -9.553 8.501 109 H GLY 15 H GLY 15 2.313 -12.231 11.204 110 HA2 GLY 15 HA2 GLY 15 1.853 -11.717 13.930 111 HA3 GLY 15 HA3 GLY 15 0.687 -12.410 12.813 112 H ILE 16 H ILE 16 1.717 -14.803 12.154 113 HA ILE 16 HA ILE 16 1.120 -16.400 14.388 114 HB ILE 16 HB ILE 16 2.490 -17.118 11.797 115 HG12 ILE 16 HG12 ILE 16 0.149 -16.303 11.637 116 HG13 ILE 16 HG13 ILE 16 0.318 -17.984 11.146 117 HG21 ILE 16 HG21 ILE 16 2.002 -18.691 14.213 118 HG22 ILE 16 HG22 ILE 16 1.388 -19.431 12.735 119 HG23 ILE 16 HG23 ILE 16 3.092 -18.995 12.860 120 HD11 ILE 16 HD11 ILE 16 -1.504 -16.959 12.950 121 HD12 ILE 16 HD12 ILE 16 -1.115 -18.660 12.694 122 HD13 ILE 16 HD13 ILE 16 -0.293 -17.749 13.959 123 H VAL 17 H VAL 17 4.243 -15.939 12.723 124 HA VAL 17 HA VAL 17 5.829 -17.403 14.467 125 HB VAL 17 HB VAL 17 6.556 -16.445 12.266 126 HG11 VAL 17 HG11 VAL 17 5.738 -14.160 12.631 127 HG12 VAL 17 HG12 VAL 17 6.962 -13.930 13.882 128 HG13 VAL 17 HG13 VAL 17 7.448 -14.185 12.205 129 HG21 VAL 17 HG21 VAL 17 8.041 -16.911 14.621 130 HG22 VAL 17 HG22 VAL 17 8.585 -17.041 12.948 131 HG23 VAL 17 HG23 VAL 17 8.766 -15.518 13.818 132 H MET 18 H MET 18 4.649 -14.105 14.728 133 HA MET 18 HA MET 18 6.298 -13.316 16.891 134 HB2 MET 18 HB2 MET 18 5.151 -11.678 15.497 135 HB3 MET 18 HB3 MET 18 3.590 -12.292 16.023 136 HG2 MET 18 HG2 MET 18 3.652 -11.170 17.961 137 HG3 MET 18 HG3 MET 18 5.377 -11.449 18.188 138 HE1 MET 18 HE1 MET 18 4.015 -7.842 18.436 139 HE2 MET 18 HE2 MET 18 3.016 -8.081 17.002 140 HE3 MET 18 HE3 MET 18 3.000 -9.278 18.298 141 H MET 19 H MET 19 2.941 -14.496 16.771 142 HA MET 19 HA MET 19 2.427 -14.439 19.510 143 HB2 MET 19 HB2 MET 19 0.910 -14.994 17.407 144 HB3 MET 19 HB3 MET 19 1.289 -16.650 17.863 145 HG2 MET 19 HG2 MET 19 0.522 -15.947 20.216 146 HG3 MET 19 HG3 MET 19 -0.218 -14.574 19.397 147 HE1 MET 19 HE1 MET 19 -3.353 -15.797 17.951 148 HE2 MET 19 HE2 MET 19 -2.327 -14.490 18.544 149 HE3 MET 19 HE3 MET 19 -1.963 -15.268 17.003 150 H THR 20 H THR 20 3.794 -17.023 17.504 151 HA THR 20 HA THR 20 3.979 -18.974 19.518 152 HB THR 20 HB THR 20 6.027 -18.838 17.339 153 HG1 THR 20 HG1 THR 20 4.216 -19.924 16.078 154 HG21 THR 20 HG21 THR 20 5.942 -20.714 18.986 155 HG22 THR 20 HG22 THR 20 5.749 -21.225 17.309 156 HG23 THR 20 HG23 THR 20 4.342 -21.121 18.367 157 H LEU 21 H LEU 21 6.440 -16.710 18.287 158 HA LEU 21 HA LEU 21 8.530 -17.443 19.959 159 HB2 LEU 21 HB2 LEU 21 7.978 -15.379 18.118 160 HB3 LEU 21 HB3 LEU 21 8.541 -14.604 19.597 161 HG LEU 21 HG LEU 21 10.020 -16.651 17.948 162 HD11 LEU 21 HD11 LEU 21 10.176 -14.558 16.889 163 HD12 LEU 21 HD12 LEU 21 11.664 -14.724 17.820 164 HD13 LEU 21 HD13 LEU 21 10.358 -13.703 18.421 165 HD21 LEU 21 HD21 LEU 21 11.743 -15.562 19.833 166 HD22 LEU 21 HD22 LEU 21 11.086 -17.198 19.822 167 HD23 LEU 21 HD23 LEU 21 10.273 -15.928 20.736 168 H ILE 22 H ILE 22 5.887 -15.166 20.525 169 HA ILE 22 HA ILE 22 6.823 -14.207 23.017 170 HB ILE 22 HB ILE 22 3.999 -14.313 21.951 171 HG12 ILE 22 HG12 ILE 22 5.676 -11.840 22.067 172 HG13 ILE 22 HG13 ILE 22 5.956 -12.992 20.766 173 HG21 ILE 22 HG21 ILE 22 3.684 -13.952 24.208 174 HG22 ILE 22 HG22 ILE 22 5.201 -13.072 24.386 175 HG23 ILE 22 HG23 ILE 22 3.824 -12.303 23.597 176 HD11 ILE 22 HD11 ILE 22 3.642 -12.785 20.065 177 HD12 ILE 22 HD12 ILE 22 3.330 -11.665 21.392 178 HD13 ILE 22 HD13 ILE 22 4.437 -11.211 20.096 179 H VAL 23 H VAL 23 4.621 -16.829 22.122 180 HA VAL 23 HA VAL 23 3.885 -17.527 24.767 181 HB VAL 23 HB VAL 23 3.871 -19.220 22.265 182 HG11 VAL 23 HG11 VAL 23 1.979 -20.349 23.702 183 HG12 VAL 23 HG12 VAL 23 3.669 -20.818 23.895 184 HG13 VAL 23 HG13 VAL 23 2.924 -19.707 25.045 185 HG21 VAL 23 HG21 VAL 23 1.317 -18.304 23.300 186 HG22 VAL 23 HG22 VAL 23 2.377 -16.969 22.850 187 HG23 VAL 23 HG23 VAL 23 1.972 -18.211 21.665 188 H ILE 24 H ILE 24 6.399 -18.701 22.570 189 HA ILE 24 HA ILE 24 7.322 -20.758 24.310 190 HB ILE 24 HB ILE 24 8.709 -19.404 21.994 191 HG12 ILE 24 HG12 ILE 24 6.620 -20.612 21.422 192 HG13 ILE 24 HG13 ILE 24 8.047 -21.364 20.716 193 HG21 ILE 24 HG21 ILE 24 9.473 -21.750 23.697 194 HG22 ILE 24 HG22 ILE 24 10.056 -21.586 22.041 195 HG23 ILE 24 HG23 ILE 24 10.443 -20.351 23.238 196 HD11 ILE 24 HD11 ILE 24 6.514 -23.029 21.581 197 HD12 ILE 24 HD12 ILE 24 8.029 -23.047 22.484 198 HD13 ILE 24 HD13 ILE 24 6.595 -22.294 23.182 199 H TYR 25 H TYR 25 8.597 -17.535 23.490 200 HA TYR 25 HA TYR 25 10.806 -17.578 25.196 201 HB2 TYR 25 HB2 TYR 25 10.320 -15.889 23.383 202 HB3 TYR 25 HB3 TYR 25 9.192 -15.122 24.495 203 HD1 TYR 25 HD1 TYR 25 9.953 -13.475 25.950 204 HD2 TYR 25 HD2 TYR 25 12.761 -16.165 24.224 205 HE1 TYR 25 HE1 TYR 25 11.795 -12.165 26.919 206 HE2 TYR 25 HE2 TYR 25 14.611 -14.863 25.190 207 HH TYR 25 HH TYR 25 15.185 -13.098 26.403 208 H HIS 26 H HIS 26 7.495 -16.447 25.773 209 HA HIS 26 HA HIS 26 7.967 -15.566 28.429 210 HB2 HIS 26 HB2 HIS 26 6.061 -14.776 27.081 211 HB3 HIS 26 HB3 HIS 26 5.367 -16.395 27.120 212 HD1 HIS 26 HD1 HIS 26 6.247 -13.567 29.485 213 HD2 HIS 26 HD2 HIS 26 3.769 -16.895 29.272 214 HE1 HIS 26 HE1 HIS 26 4.777 -13.442 31.522 215 H ALA 27 H ALA 27 6.770 -18.592 27.047 216 HA ALA 27 HA ALA 27 6.000 -19.881 29.391 217 HB1 ALA 27 HB1 ALA 27 6.454 -21.993 28.128 218 HB2 ALA 27 HB2 ALA 27 5.430 -20.832 27.280 219 HB3 ALA 27 HB3 ALA 27 7.128 -21.003 26.833 220 H VAL 28 H VAL 28 9.144 -20.072 27.713 221 HA VAL 28 HA VAL 28 10.390 -21.604 29.753 222 HB VAL 28 HB VAL 28 12.507 -21.053 28.614 223 HG11 VAL 28 HG11 VAL 28 10.984 -21.623 26.235 224 HG12 VAL 28 HG12 VAL 28 12.049 -22.678 27.167 225 HG13 VAL 28 HG13 VAL 28 10.350 -22.517 27.616 226 HG21 VAL 28 HG21 VAL 28 10.748 -19.097 27.192 227 HG22 VAL 28 HG22 VAL 28 12.355 -18.863 27.881 228 HG23 VAL 28 HG23 VAL 28 12.162 -19.769 26.380 229 H ASP 29 H ASP 29 10.138 -18.161 29.100 230 HA ASP 29 HA ASP 29 12.101 -17.242 30.877 231 HB2 ASP 29 HB2 ASP 29 11.231 -15.685 29.317 232 HB3 ASP 29 HB3 ASP 29 9.571 -15.988 29.822 233 H SER 30 H SER 30 8.608 -17.712 31.366 234 HA SER 30 HA SER 30 8.689 -16.988 34.123 235 HB2 SER 30 HB2 SER 30 6.617 -16.732 32.913 236 HB3 SER 30 HB3 SER 30 6.601 -18.443 32.485 237 HG SER 30 HG SER 30 5.982 -17.200 34.901 238 H THR 31 H THR 31 8.379 -20.106 32.436 239 HA THR 31 HA THR 31 8.253 -21.783 34.632 240 HB THR 31 HB THR 31 9.618 -22.325 31.988 241 HG1 THR 31 HG1 THR 31 7.636 -22.409 31.277 242 HG21 THR 31 HG21 THR 31 10.366 -24.054 33.352 243 HG22 THR 31 HG22 THR 31 8.896 -24.729 32.648 244 HG23 THR 31 HG23 THR 31 8.875 -24.090 34.292 245 H MET 32 H MET 32 11.058 -20.279 33.134 246 HA MET 32 HA MET 32 12.955 -21.743 34.721 247 HB2 MET 32 HB2 MET 32 13.661 -20.990 32.555 248 HB3 MET 32 HB3 MET 32 13.225 -19.329 32.929 249 HG2 MET 32 HG2 MET 32 15.019 -19.110 34.461 250 HG3 MET 32 HG3 MET 32 15.352 -20.839 34.414 251 HE1 MET 32 HE1 MET 32 17.277 -21.842 32.629 252 HE2 MET 32 HE2 MET 32 18.440 -20.522 32.505 253 HE3 MET 32 HE3 MET 32 17.623 -20.837 34.036 254 H SER 33 H SER 33 11.391 -18.598 34.861 255 HA SER 33 HA SER 33 12.985 -17.490 36.912 256 HB2 SER 33 HB2 SER 33 11.781 -15.741 36.172 257 HB3 SER 33 HB3 SER 33 10.540 -16.792 35.491 258 HG SER 33 HG SER 33 10.161 -15.270 37.468 259 HA PRO 34 HA PRO 34 11.550 -19.364 40.609 260 HB2 PRO 34 HB2 PRO 34 11.447 -17.265 42.328 261 HB3 PRO 34 HB3 PRO 34 12.966 -17.965 41.756 262 HG2 PRO 34 HG2 PRO 34 11.531 -15.517 40.803 263 HG3 PRO 34 HG3 PRO 34 13.263 -15.755 41.095 264 HD2 PRO 34 HD2 PRO 34 12.179 -15.839 38.615 265 HD3 PRO 34 HD3 PRO 34 13.586 -16.819 39.076 266 H LYS 35 H LYS 35 9.854 -16.327 39.860 267 HA LYS 35 HA LYS 35 7.520 -17.068 41.361 268 HB2 LYS 35 HB2 LYS 35 6.533 -15.023 40.310 269 HB3 LYS 35 HB3 LYS 35 8.031 -14.733 41.183 270 HG2 LYS 35 HG2 LYS 35 9.262 -14.465 39.206 271 HG3 LYS 35 HG3 LYS 35 7.987 -15.182 38.218 272 HD2 LYS 35 HD2 LYS 35 7.386 -12.715 39.781 273 HD3 LYS 35 HD3 LYS 35 8.335 -12.575 38.299 274 HE2 LYS 35 HE2 LYS 35 6.529 -13.813 37.110 275 HE3 LYS 35 HE3 LYS 35 5.573 -13.751 38.590 276 HZ1 LYS 35 HZ1 LYS 35 4.837 -11.948 37.346 277 HZ2 LYS 35 HZ2 LYS 35 6.392 -11.520 36.837 278 HZ3 LYS 35 HZ3 LYS 35 5.922 -11.246 38.438 279 H ASN 36 H ASN 36 7.682 -19.204 39.966 280 HA ASN 36 HA ASN 36 6.745 -19.266 37.337 281 HB2 ASN 36 HB2 ASN 36 6.222 -21.367 39.447 282 HB3 ASN 36 HB3 ASN 36 6.283 -21.604 37.703 283 HD21 ASN 36 HD21 ASN 36 8.317 -21.380 36.640 284 HD22 ASN 36 HD22 ASN 36 9.786 -21.661 37.505 285 H ARG 37 H ARG 37 4.860 -18.689 36.503 286 HA ARG 37 HA ARG 37 2.612 -18.080 38.185 287 HB2 ARG 37 HB2 ARG 37 1.557 -17.253 36.205 288 HB3 ARG 37 HB3 ARG 37 3.247 -16.771 36.140 289 HG2 ARG 37 HG2 ARG 37 3.721 -18.593 34.595 290 HG3 ARG 37 HG3 ARG 37 2.034 -19.106 34.675 291 HD2 ARG 37 HD2 ARG 37 1.297 -17.077 33.652 292 HD3 ARG 37 HD3 ARG 37 2.907 -16.369 33.772 293 HE ARG 37 HE ARG 37 3.484 -17.462 31.850 294 HH11 ARG 37 HH11 ARG 37 0.611 -18.926 33.163 295 HH12 ARG 37 HH12 ARG 37 0.352 -19.955 31.793 296 HH21 ARG 37 HH21 ARG 37 3.154 -18.811 30.041 297 HH22 ARG 37 HH22 ARG 37 1.800 -19.890 30.018 298 H LEU 38 H LEU 38 0.672 -19.141 38.339 299 HA LEU 38 HA LEU 38 0.523 -21.786 37.049 300 HB2 LEU 38 HB2 LEU 38 0.929 -22.173 39.346 301 HB3 LEU 38 HB3 LEU 38 -0.235 -20.942 39.832 302 HG LEU 38 HG LEU 38 -2.039 -22.426 38.898 303 HD11 LEU 38 HD11 LEU 38 -1.118 -23.945 37.468 304 HD12 LEU 38 HD12 LEU 38 -1.165 -24.914 38.940 305 HD13 LEU 38 HD13 LEU 38 0.341 -24.146 38.439 306 HD21 LEU 38 HD21 LEU 38 -0.334 -23.419 41.177 307 HD22 LEU 38 HD22 LEU 38 -1.965 -23.993 40.829 308 HD23 LEU 38 HD23 LEU 38 -1.698 -22.305 41.268 309 H GLU 39 H GLU 39 -1.117 -21.974 35.686 310 HA GLU 39 HA GLU 39 -3.484 -20.266 36.093 311 HB2 GLU 39 HB2 GLU 39 -3.846 -20.646 33.603 312 HB3 GLU 39 HB3 GLU 39 -2.493 -19.617 34.051 313 HG2 GLU 39 HG2 GLU 39 -0.918 -21.272 33.538 314 HG3 GLU 39 HG3 GLU 39 -2.140 -22.542 33.503 Start of MODEL 11 1 H1 MET 1 H MET 1 4.059 -1.338 -3.872 2 HA MET 1 HA MET 1 4.727 -3.304 -5.962 3 HB2 MET 1 HB2 MET 1 6.669 -3.964 -4.543 4 HB3 MET 1 HB3 MET 1 6.788 -2.335 -5.194 5 HG2 MET 1 HG2 MET 1 5.937 -1.485 -3.008 6 HG3 MET 1 HG3 MET 1 6.064 -3.129 -2.388 7 HE1 MET 1 HE1 MET 1 7.145 -0.471 -1.394 8 HE2 MET 1 HE2 MET 1 8.082 -1.591 -0.405 9 HE3 MET 1 HE3 MET 1 8.903 -0.335 -1.333 10 H ILE 2 H ILE 2 3.747 -2.753 -2.624 11 HA ILE 2 HA ILE 2 3.508 -5.444 -1.840 12 HB ILE 2 HB ILE 2 3.499 -3.650 -0.200 13 HG12 ILE 2 HG12 ILE 2 1.582 -4.400 1.173 14 HG13 ILE 2 HG13 ILE 2 0.891 -5.186 -0.241 15 HG21 ILE 2 HG21 ILE 2 0.761 -2.906 -1.211 16 HG22 ILE 2 HG22 ILE 2 1.693 -2.104 0.052 17 HG23 ILE 2 HG23 ILE 2 2.237 -2.034 -1.624 18 HD11 ILE 2 HD11 ILE 2 2.026 -7.013 0.250 19 HD12 ILE 2 HD12 ILE 2 3.537 -6.128 0.039 20 HD13 ILE 2 HD13 ILE 2 2.771 -6.200 1.626 21 H SER 3 H SER 3 2.088 -6.967 -2.363 22 HA SER 3 HA SER 3 -0.409 -6.146 -3.696 23 HB2 SER 3 HB2 SER 3 1.421 -7.512 -4.969 24 HB3 SER 3 HB3 SER 3 0.796 -8.875 -4.040 25 HG SER 3 HG SER 3 -0.436 -8.875 -5.822 26 H ASP 4 H ASP 4 -2.028 -8.133 -3.599 27 HA ASP 4 HA ASP 4 -2.871 -8.334 -0.923 28 HB2 ASP 4 HB2 ASP 4 -3.690 -10.047 -3.279 29 HB3 ASP 4 HB3 ASP 4 -4.572 -9.884 -1.763 30 H GLU 5 H GLU 5 -1.227 -10.646 -3.048 31 HA GLU 5 HA GLU 5 -1.221 -12.796 -1.213 32 HB2 GLU 5 HB2 GLU 5 0.560 -13.737 -2.664 33 HB3 GLU 5 HB3 GLU 5 -0.855 -13.207 -3.562 34 HG2 GLU 5 HG2 GLU 5 0.645 -10.973 -3.671 35 HG3 GLU 5 HG3 GLU 5 1.907 -12.202 -3.610 36 H GLN 6 H GLN 6 1.131 -10.247 -1.922 37 HA GLN 6 HA GLN 6 3.159 -11.194 -0.201 38 HB2 GLN 6 HB2 GLN 6 2.612 -8.362 -1.105 39 HB3 GLN 6 HB3 GLN 6 4.116 -8.944 -0.404 40 HG2 GLN 6 HG2 GLN 6 2.993 -10.139 -2.910 41 HG3 GLN 6 HG3 GLN 6 3.986 -8.682 -2.941 42 HE21 GLN 6 HE21 GLN 6 5.985 -9.020 -1.353 43 HE22 GLN 6 HE22 GLN 6 6.896 -10.447 -1.696 44 H LEU 7 H LEU 7 0.580 -8.800 0.265 45 HA LEU 7 HA LEU 7 1.270 -8.037 2.873 46 HB2 LEU 7 HB2 LEU 7 -0.465 -7.072 1.173 47 HB3 LEU 7 HB3 LEU 7 -1.581 -8.163 1.992 48 HG LEU 7 HG LEU 7 -1.726 -5.880 2.860 49 HD11 LEU 7 HD11 LEU 7 -1.771 -8.142 4.285 50 HD12 LEU 7 HD12 LEU 7 -2.039 -6.551 4.996 51 HD13 LEU 7 HD13 LEU 7 -0.451 -7.310 5.109 52 HD21 LEU 7 HD21 LEU 7 0.624 -5.697 4.406 53 HD22 LEU 7 HD22 LEU 7 0.103 -4.647 3.088 54 HD23 LEU 7 HD23 LEU 7 1.124 -6.046 2.750 55 H ASN 8 H ASN 8 -1.153 -10.410 1.773 56 HA ASN 8 HA ASN 8 -1.970 -11.298 4.280 57 HB2 ASN 8 HB2 ASN 8 -3.121 -11.864 2.168 58 HB3 ASN 8 HB3 ASN 8 -1.778 -12.916 1.729 59 HD21 ASN 8 HD21 ASN 8 -3.877 -14.275 1.632 60 HD22 ASN 8 HD22 ASN 8 -4.206 -15.208 3.049 61 H SER 9 H SER 9 0.579 -12.603 2.169 62 HA SER 9 HA SER 9 1.385 -14.722 3.779 63 HB2 SER 9 HB2 SER 9 2.189 -14.515 1.505 64 HB3 SER 9 HB3 SER 9 3.018 -13.008 1.894 65 HG SER 9 HG SER 9 4.612 -14.104 2.730 66 H LEU 10 H LEU 10 2.565 -11.372 3.727 67 HA LEU 10 HA LEU 10 4.514 -11.677 5.729 68 HB2 LEU 10 HB2 LEU 10 3.500 -9.598 4.127 69 HB3 LEU 10 HB3 LEU 10 3.358 -9.055 5.797 70 HG LEU 10 HG LEU 10 5.439 -8.288 4.798 71 HD11 LEU 10 HD11 LEU 10 5.196 -9.142 7.246 72 HD12 LEU 10 HD12 LEU 10 6.791 -8.752 6.603 73 HD13 LEU 10 HD13 LEU 10 6.268 -10.433 6.701 74 HD21 LEU 10 HD21 LEU 10 5.552 -10.348 3.256 75 HD22 LEU 10 HD22 LEU 10 6.371 -11.130 4.609 76 HD23 LEU 10 HD23 LEU 10 7.061 -9.679 3.879 77 H ALA 11 H ALA 11 1.073 -10.993 5.875 78 HA ALA 11 HA ALA 11 0.943 -10.235 8.588 79 HB1 ALA 11 HB1 ALA 11 -1.043 -9.696 7.701 80 HB2 ALA 11 HB2 ALA 11 -0.956 -10.970 6.484 81 HB3 ALA 11 HB3 ALA 11 -1.498 -11.348 8.119 82 H ILE 12 H ILE 12 0.209 -13.369 7.046 83 HA ILE 12 HA ILE 12 -0.210 -14.777 9.442 84 HB ILE 12 HB ILE 12 0.165 -16.826 8.085 85 HG12 ILE 12 HG12 ILE 12 0.786 -14.832 5.896 86 HG13 ILE 12 HG13 ILE 12 1.919 -15.976 6.607 87 HG21 ILE 12 HG21 ILE 12 -1.903 -16.681 7.200 88 HG22 ILE 12 HG22 ILE 12 -1.932 -15.137 8.051 89 HG23 ILE 12 HG23 ILE 12 -1.543 -15.188 6.332 90 HD11 ILE 12 HD11 ILE 12 1.322 -17.000 4.632 91 HD12 ILE 12 HD12 ILE 12 0.239 -17.764 5.796 92 HD13 ILE 12 HD13 ILE 12 -0.358 -16.478 4.748 93 H THR 13 H THR 13 2.691 -14.101 7.587 94 HA THR 13 HA THR 13 4.411 -15.934 8.865 95 HB THR 13 HB THR 13 5.070 -13.293 7.549 96 HG1 THR 13 HG1 THR 13 4.551 -14.448 5.847 97 HG21 THR 13 HG21 THR 13 7.153 -13.589 8.286 98 HG22 THR 13 HG22 THR 13 7.225 -15.085 7.355 99 HG23 THR 13 HG23 THR 13 6.713 -15.119 9.042 100 H PHE 14 H PHE 14 4.006 -12.428 9.396 101 HA PHE 14 HA PHE 14 5.692 -12.265 11.630 102 HB2 PHE 14 HB2 PHE 14 4.876 -10.322 10.286 103 HB3 PHE 14 HB3 PHE 14 3.296 -10.518 11.038 104 HD1 PHE 14 HD1 PHE 14 2.962 -8.694 12.405 105 HD2 PHE 14 HD2 PHE 14 6.725 -10.681 12.480 106 HE1 PHE 14 HE1 PHE 14 3.675 -7.265 14.276 107 HE2 PHE 14 HE2 PHE 14 7.444 -9.255 14.352 108 HZ PHE 14 HZ PHE 14 5.918 -7.545 15.253 109 H GLY 15 H GLY 15 2.235 -12.926 11.354 110 HA2 GLY 15 HA2 GLY 15 1.612 -12.796 14.100 111 HA3 GLY 15 HA3 GLY 15 0.699 -13.679 12.884 112 H ILE 16 H ILE 16 2.269 -15.653 12.068 113 HA ILE 16 HA ILE 16 2.151 -17.534 14.137 114 HB ILE 16 HB ILE 16 3.756 -17.666 11.582 115 HG12 ILE 16 HG12 ILE 16 1.126 -19.025 12.069 116 HG13 ILE 16 HG13 ILE 16 1.163 -17.337 11.571 117 HG21 ILE 16 HG21 ILE 16 3.350 -20.192 12.016 118 HG22 ILE 16 HG22 ILE 16 4.652 -19.364 12.868 119 HG23 ILE 16 HG23 ILE 16 3.127 -19.688 13.691 120 HD11 ILE 16 HD11 ILE 16 1.166 -18.129 9.496 121 HD12 ILE 16 HD12 ILE 16 2.858 -18.537 9.782 122 HD13 ILE 16 HD13 ILE 16 1.605 -19.754 10.023 123 H VAL 17 H VAL 17 5.040 -16.104 12.605 124 HA VAL 17 HA VAL 17 6.977 -17.230 14.212 125 HB VAL 17 HB VAL 17 6.985 -14.440 13.052 126 HG11 VAL 17 HG11 VAL 17 8.861 -14.217 14.251 127 HG12 VAL 17 HG12 VAL 17 8.948 -15.943 14.607 128 HG13 VAL 17 HG13 VAL 17 9.576 -15.325 13.079 129 HG21 VAL 17 HG21 VAL 17 6.812 -16.817 11.703 130 HG22 VAL 17 HG22 VAL 17 7.467 -15.317 11.047 131 HG23 VAL 17 HG23 VAL 17 8.551 -16.526 11.735 132 H MET 18 H MET 18 5.387 -14.074 14.698 133 HA MET 18 HA MET 18 6.604 -13.354 17.071 134 HB2 MET 18 HB2 MET 18 5.057 -11.938 15.698 135 HB3 MET 18 HB3 MET 18 3.709 -12.839 16.377 136 HG2 MET 18 HG2 MET 18 3.791 -11.746 18.329 137 HG3 MET 18 HG3 MET 18 5.552 -11.723 18.360 138 HE1 MET 18 HE1 MET 18 2.781 -9.292 18.618 139 HE2 MET 18 HE2 MET 18 2.718 -8.453 17.067 140 HE3 MET 18 HE3 MET 18 2.313 -10.167 17.160 141 H MET 19 H MET 19 3.577 -15.186 16.655 142 HA MET 19 HA MET 19 3.055 -15.595 19.376 143 HB2 MET 19 HB2 MET 19 2.293 -17.173 16.922 144 HB3 MET 19 HB3 MET 19 1.728 -17.600 18.532 145 HG2 MET 19 HG2 MET 19 1.269 -14.930 17.225 146 HG3 MET 19 HG3 MET 19 0.118 -16.265 17.206 147 HE1 MET 19 HE1 MET 19 -1.345 -13.879 18.276 148 HE2 MET 19 HE2 MET 19 -0.800 -13.176 19.799 149 HE3 MET 19 HE3 MET 19 0.231 -13.092 18.370 150 H THR 20 H THR 20 5.128 -17.300 17.128 151 HA THR 20 HA THR 20 5.565 -19.625 18.663 152 HB THR 20 HB THR 20 7.564 -18.378 16.775 153 HG1 THR 20 HG1 THR 20 6.106 -18.701 15.284 154 HG21 THR 20 HG21 THR 20 7.501 -21.143 16.475 155 HG22 THR 20 HG22 THR 20 7.382 -20.886 18.216 156 HG23 THR 20 HG23 THR 20 8.735 -20.203 17.314 157 H LEU 21 H LEU 21 7.697 -16.792 18.234 158 HA LEU 21 HA LEU 21 9.551 -17.496 20.201 159 HB2 LEU 21 HB2 LEU 21 10.485 -15.417 19.891 160 HB3 LEU 21 HB3 LEU 21 9.619 -15.658 18.376 161 HG LEU 21 HG LEU 21 7.725 -14.331 19.666 162 HD11 LEU 21 HD11 LEU 21 9.524 -14.297 21.642 163 HD12 LEU 21 HD12 LEU 21 8.357 -13.000 21.381 164 HD13 LEU 21 HD13 LEU 21 10.010 -12.831 20.789 165 HD21 LEU 21 HD21 LEU 21 8.408 -12.380 18.514 166 HD22 LEU 21 HD22 LEU 21 8.959 -13.746 17.545 167 HD23 LEU 21 HD23 LEU 21 10.104 -12.862 18.555 168 H ILE 22 H ILE 22 6.497 -15.781 20.421 169 HA ILE 22 HA ILE 22 6.799 -14.801 23.051 170 HB ILE 22 HB ILE 22 4.337 -15.436 21.433 171 HG12 ILE 22 HG12 ILE 22 5.287 -12.725 22.311 172 HG13 ILE 22 HG13 ILE 22 5.988 -13.498 20.893 173 HG21 ILE 22 HG21 ILE 22 3.182 -13.995 23.193 174 HG22 ILE 22 HG22 ILE 22 3.573 -15.655 23.638 175 HG23 ILE 22 HG23 ILE 22 4.583 -14.328 24.211 176 HD11 ILE 22 HD11 ILE 22 4.214 -11.971 20.270 177 HD12 ILE 22 HD12 ILE 22 3.770 -13.633 19.880 178 HD13 ILE 22 HD13 ILE 22 3.078 -12.846 21.298 179 H VAL 23 H VAL 23 5.328 -17.773 21.784 180 HA VAL 23 HA VAL 23 4.536 -18.770 24.326 181 HB VAL 23 HB VAL 23 4.981 -20.243 21.726 182 HG11 VAL 23 HG11 VAL 23 3.804 -21.105 24.350 183 HG12 VAL 23 HG12 VAL 23 3.388 -21.904 22.832 184 HG13 VAL 23 HG13 VAL 23 5.060 -21.890 23.394 185 HG21 VAL 23 HG21 VAL 23 3.121 -18.340 22.217 186 HG22 VAL 23 HG22 VAL 23 2.888 -19.687 21.103 187 HG23 VAL 23 HG23 VAL 23 2.262 -19.785 22.748 188 H ILE 24 H ILE 24 7.452 -19.007 22.412 189 HA ILE 24 HA ILE 24 8.621 -21.149 23.892 190 HB ILE 24 HB ILE 24 9.919 -19.079 22.116 191 HG12 ILE 24 HG12 ILE 24 9.540 -21.949 21.375 192 HG13 ILE 24 HG13 ILE 24 8.159 -20.863 21.267 193 HG21 ILE 24 HG21 ILE 24 11.834 -19.821 22.986 194 HG22 ILE 24 HG22 ILE 24 11.034 -21.155 23.814 195 HG23 ILE 24 HG23 ILE 24 11.515 -21.327 22.126 196 HD11 ILE 24 HD11 ILE 24 10.801 -20.421 19.900 197 HD12 ILE 24 HD12 ILE 24 9.366 -21.111 19.141 198 HD13 ILE 24 HD13 ILE 24 9.342 -19.447 19.723 199 H TYR 25 H TYR 25 9.128 -17.625 23.883 200 HA TYR 25 HA TYR 25 11.022 -17.627 25.985 201 HB2 TYR 25 HB2 TYR 25 10.571 -15.780 24.275 202 HB3 TYR 25 HB3 TYR 25 9.212 -15.317 25.292 203 HD1 TYR 25 HD1 TYR 25 9.634 -13.497 26.630 204 HD2 TYR 25 HD2 TYR 25 12.800 -16.231 25.852 205 HE1 TYR 25 HE1 TYR 25 11.138 -12.146 28.032 206 HE2 TYR 25 HE2 TYR 25 14.312 -14.889 27.252 207 HH TYR 25 HH TYR 25 13.151 -12.020 28.983 208 H HIS 26 H HIS 26 7.515 -17.272 25.898 209 HA HIS 26 HA HIS 26 7.207 -16.590 28.637 210 HB2 HIS 26 HB2 HIS 26 5.328 -17.636 26.531 211 HB3 HIS 26 HB3 HIS 26 4.801 -17.408 28.196 212 HD1 HIS 26 HD1 HIS 26 3.134 -15.581 27.314 213 HD2 HIS 26 HD2 HIS 26 7.157 -14.679 26.803 214 HE1 HIS 26 HE1 HIS 26 3.210 -13.123 26.789 215 H ALA 27 H ALA 27 6.917 -19.653 26.861 216 HA ALA 27 HA ALA 27 6.183 -21.257 29.042 217 HB1 ALA 27 HB1 ALA 27 6.784 -23.141 27.675 218 HB2 ALA 27 HB2 ALA 27 6.007 -21.924 26.661 219 HB3 ALA 27 HB3 ALA 27 7.760 -22.116 26.622 220 H VAL 28 H VAL 28 9.389 -20.629 27.628 221 HA VAL 28 HA VAL 28 10.832 -22.215 29.464 222 HB VAL 28 HB VAL 28 11.780 -19.838 27.856 223 HG11 VAL 28 HG11 VAL 28 13.523 -20.061 29.297 224 HG12 VAL 28 HG12 VAL 28 13.162 -21.752 29.648 225 HG13 VAL 28 HG13 VAL 28 13.975 -21.317 28.145 226 HG21 VAL 28 HG21 VAL 28 10.837 -22.243 26.927 227 HG22 VAL 28 HG22 VAL 28 11.933 -21.167 26.062 228 HG23 VAL 28 HG23 VAL 28 12.578 -22.511 27.004 229 H ASP 29 H ASP 29 9.911 -18.809 29.457 230 HA ASP 29 HA ASP 29 11.448 -17.995 31.666 231 HB2 ASP 29 HB2 ASP 29 10.390 -16.408 30.115 232 HB3 ASP 29 HB3 ASP 29 8.800 -16.902 30.691 233 H SER 30 H SER 30 8.160 -19.285 31.437 234 HA SER 30 HA SER 30 7.588 -19.022 34.213 235 HB2 SER 30 HB2 SER 30 6.281 -20.907 32.241 236 HB3 SER 30 HB3 SER 30 5.600 -20.309 33.753 237 HG SER 30 HG SER 30 5.201 -19.255 31.472 238 H THR 31 H THR 31 8.722 -21.687 32.179 239 HA THR 31 HA THR 31 8.631 -23.762 34.008 240 HB THR 31 HB THR 31 10.758 -23.298 31.908 241 HG1 THR 31 HG1 THR 31 8.992 -23.494 30.711 242 HG21 THR 31 HG21 THR 31 9.857 -25.849 33.253 243 HG22 THR 31 HG22 THR 31 11.385 -25.019 33.542 244 HG23 THR 31 HG23 THR 31 11.050 -25.724 31.961 245 H MET 32 H MET 32 11.099 -21.270 33.581 246 HA MET 32 HA MET 32 12.945 -22.366 35.439 247 HB2 MET 32 HB2 MET 32 12.662 -19.869 33.903 248 HB3 MET 32 HB3 MET 32 13.530 -19.701 35.424 249 HG2 MET 32 HG2 MET 32 15.108 -20.112 33.683 250 HG3 MET 32 HG3 MET 32 15.031 -21.535 34.720 251 HE1 MET 32 HE1 MET 32 16.001 -23.412 32.239 252 HE2 MET 32 HE2 MET 32 15.870 -22.218 30.948 253 HE3 MET 32 HE3 MET 32 16.504 -21.746 32.525 254 H SER 33 H SER 33 10.367 -19.960 35.692 255 HA SER 33 HA SER 33 10.920 -19.381 38.451 256 HB2 SER 33 HB2 SER 33 9.476 -17.664 38.177 257 HB3 SER 33 HB3 SER 33 9.554 -18.070 36.463 258 HG SER 33 HG SER 33 7.476 -18.274 38.176 259 HA PRO 34 HA PRO 34 8.529 -22.443 40.486 260 HB2 PRO 34 HB2 PRO 34 7.368 -21.040 42.499 261 HB3 PRO 34 HB3 PRO 34 9.092 -21.429 42.470 262 HG2 PRO 34 HG2 PRO 34 7.712 -18.883 41.711 263 HG3 PRO 34 HG3 PRO 34 9.203 -19.113 42.644 264 HD2 PRO 34 HD2 PRO 34 9.215 -18.428 40.024 265 HD3 PRO 34 HD3 PRO 34 10.485 -19.430 40.755 266 H LYS 35 H LYS 35 6.685 -19.417 40.088 267 HA LYS 35 HA LYS 35 4.271 -21.027 39.608 268 HB2 LYS 35 HB2 LYS 35 2.998 -19.003 40.142 269 HB3 LYS 35 HB3 LYS 35 4.078 -19.441 41.459 270 HG2 LYS 35 HG2 LYS 35 5.679 -17.748 40.168 271 HG3 LYS 35 HG3 LYS 35 4.120 -17.089 39.668 272 HD2 LYS 35 HD2 LYS 35 4.402 -15.920 41.605 273 HD3 LYS 35 HD3 LYS 35 3.607 -17.354 42.260 274 HE2 LYS 35 HE2 LYS 35 6.590 -17.233 42.040 275 HE3 LYS 35 HE3 LYS 35 5.763 -16.463 43.392 276 HZ1 LYS 35 HZ1 LYS 35 4.611 -18.847 43.433 277 HZ2 LYS 35 HZ2 LYS 35 6.024 -18.496 44.293 278 HZ3 LYS 35 HZ3 LYS 35 6.117 -19.288 42.801 279 H ASN 36 H ASN 36 3.449 -21.116 37.623 280 HA ASN 36 HA ASN 36 4.702 -19.713 35.465 281 HB2 ASN 36 HB2 ASN 36 2.264 -21.503 35.539 282 HB3 ASN 36 HB3 ASN 36 2.991 -20.876 34.063 283 HD21 ASN 36 HD21 ASN 36 4.524 -22.037 33.134 284 HD22 ASN 36 HD22 ASN 36 5.372 -23.354 33.863 285 H ARG 37 H ARG 37 4.287 -17.519 36.119 286 HA ARG 37 HA ARG 37 1.506 -16.630 35.869 287 HB2 ARG 37 HB2 ARG 37 2.372 -14.462 36.736 288 HB3 ARG 37 HB3 ARG 37 2.624 -15.810 37.837 289 HG2 ARG 37 HG2 ARG 37 4.899 -15.804 37.546 290 HG3 ARG 37 HG3 ARG 37 4.800 -15.064 35.947 291 HD2 ARG 37 HD2 ARG 37 4.346 -12.929 36.862 292 HD3 ARG 37 HD3 ARG 37 4.044 -13.602 38.463 293 HE ARG 37 HE ARG 37 6.657 -14.246 37.795 294 HH11 ARG 37 HH11 ARG 37 4.759 -11.380 38.343 295 HH12 ARG 37 HH12 ARG 37 6.099 -10.444 38.917 296 HH21 ARG 37 HH21 ARG 37 8.430 -13.024 38.550 297 HH22 ARG 37 HH22 ARG 37 8.186 -11.380 39.034 298 H LEU 38 H LEU 38 2.055 -17.328 33.484 299 HA LEU 38 HA LEU 38 2.401 -14.854 32.019 300 HB2 LEU 38 HB2 LEU 38 4.280 -17.176 31.779 301 HB3 LEU 38 HB3 LEU 38 3.995 -16.094 30.418 302 HG LEU 38 HG LEU 38 4.629 -14.269 32.256 303 HD11 LEU 38 HD11 LEU 38 6.699 -16.110 33.106 304 HD12 LEU 38 HD12 LEU 38 5.099 -16.603 33.661 305 HD13 LEU 38 HD13 LEU 38 5.714 -14.998 34.056 306 HD21 LEU 38 HD21 LEU 38 6.044 -14.006 30.555 307 HD22 LEU 38 HD22 LEU 38 6.053 -15.732 30.189 308 HD23 LEU 38 HD23 LEU 38 7.130 -15.087 31.428 309 H GLU 39 H GLU 39 1.053 -14.775 30.329 310 HA GLU 39 HA GLU 39 -0.251 -17.283 29.510 311 HB2 GLU 39 HB2 GLU 39 -2.126 -15.836 28.751 312 HB3 GLU 39 HB3 GLU 39 -1.827 -15.742 30.481 313 HG2 GLU 39 HG2 GLU 39 -0.604 -13.644 30.143 314 HG3 GLU 39 HG3 GLU 39 -0.954 -13.732 28.418 Start of MODEL 12 1 H1 MET 1 H MET 1 2.210 -0.019 -0.800 2 HA MET 1 HA MET 1 2.715 0.388 -3.632 3 HB2 MET 1 HB2 MET 1 4.244 1.507 -2.201 4 HB3 MET 1 HB3 MET 1 4.507 0.063 -1.232 5 HG2 MET 1 HG2 MET 1 6.421 0.502 -2.636 6 HG3 MET 1 HG3 MET 1 5.635 -1.000 -3.118 7 HE1 MET 1 HE1 MET 1 7.130 2.059 -5.670 8 HE2 MET 1 HE2 MET 1 6.053 2.975 -4.616 9 HE3 MET 1 HE3 MET 1 7.263 1.898 -3.919 10 H ILE 2 H ILE 2 3.368 -2.125 -1.195 11 HA ILE 2 HA ILE 2 4.433 -4.016 -2.985 12 HB ILE 2 HB ILE 2 4.034 -5.678 -1.243 13 HG12 ILE 2 HG12 ILE 2 2.934 -3.900 0.768 14 HG13 ILE 2 HG13 ILE 2 1.841 -4.066 -0.601 15 HG21 ILE 2 HG21 ILE 2 5.037 -4.186 0.714 16 HG22 ILE 2 HG22 ILE 2 5.979 -4.634 -0.707 17 HG23 ILE 2 HG23 ILE 2 5.229 -3.041 -0.613 18 HD11 ILE 2 HD11 ILE 2 1.307 -6.165 -0.065 19 HD12 ILE 2 HD12 ILE 2 2.969 -6.590 0.345 20 HD13 ILE 2 HD13 ILE 2 1.958 -5.751 1.520 21 H SER 3 H SER 3 3.431 -6.126 -3.524 22 HA SER 3 HA SER 3 0.755 -5.681 -4.593 23 HB2 SER 3 HB2 SER 3 2.926 -7.687 -5.151 24 HB3 SER 3 HB3 SER 3 1.278 -7.961 -5.715 25 HG SER 3 HG SER 3 2.818 -6.803 -7.162 26 H ASP 4 H ASP 4 -0.545 -7.891 -4.707 27 HA ASP 4 HA ASP 4 -1.441 -8.416 -2.098 28 HB2 ASP 4 HB2 ASP 4 -1.903 -9.818 -4.726 29 HB3 ASP 4 HB3 ASP 4 -2.659 -10.361 -3.231 30 H GLU 5 H GLU 5 0.749 -10.184 -4.226 31 HA GLU 5 HA GLU 5 0.989 -12.549 -2.788 32 HB2 GLU 5 HB2 GLU 5 3.260 -12.717 -3.829 33 HB3 GLU 5 HB3 GLU 5 1.962 -12.386 -4.968 34 HG2 GLU 5 HG2 GLU 5 2.582 -9.971 -4.848 35 HG3 GLU 5 HG3 GLU 5 3.987 -10.442 -3.894 36 H GLN 6 H GLN 6 2.817 -9.526 -2.448 37 HA GLN 6 HA GLN 6 4.486 -10.458 -0.354 38 HB2 GLN 6 HB2 GLN 6 5.140 -8.553 -1.705 39 HB3 GLN 6 HB3 GLN 6 3.727 -7.651 -1.176 40 HG2 GLN 6 HG2 GLN 6 5.586 -6.822 0.028 41 HG3 GLN 6 HG3 GLN 6 4.619 -7.776 1.152 42 HE21 GLN 6 HE21 GLN 6 7.645 -7.052 0.493 43 HE22 GLN 6 HE22 GLN 6 8.443 -8.532 0.886 44 H LEU 7 H LEU 7 1.406 -8.740 -0.424 45 HA LEU 7 HA LEU 7 1.236 -8.138 2.313 46 HB2 LEU 7 HB2 LEU 7 -0.222 -7.405 0.271 47 HB3 LEU 7 HB3 LEU 7 -1.192 -8.810 0.711 48 HG LEU 7 HG LEU 7 -2.127 -6.761 1.638 49 HD11 LEU 7 HD11 LEU 7 -1.915 -9.091 2.899 50 HD12 LEU 7 HD12 LEU 7 -2.695 -7.688 3.630 51 HD13 LEU 7 HD13 LEU 7 -1.029 -8.088 4.048 52 HD21 LEU 7 HD21 LEU 7 -0.950 -5.459 3.297 53 HD22 LEU 7 HD22 LEU 7 -0.006 -5.509 1.808 54 HD23 LEU 7 HD23 LEU 7 0.454 -6.520 3.179 55 H ASN 8 H ASN 8 -0.178 -10.855 0.489 56 HA ASN 8 HA ASN 8 -1.253 -12.187 2.716 57 HB2 ASN 8 HB2 ASN 8 -1.828 -12.620 0.305 58 HB3 ASN 8 HB3 ASN 8 -0.297 -13.476 0.153 59 HD21 ASN 8 HD21 ASN 8 -3.544 -13.670 1.075 60 HD22 ASN 8 HD22 ASN 8 -3.520 -15.274 1.715 61 H SER 9 H SER 9 1.814 -12.687 0.983 62 HA SER 9 HA SER 9 2.777 -14.812 2.503 63 HB2 SER 9 HB2 SER 9 4.059 -14.453 0.618 64 HB3 SER 9 HB3 SER 9 4.046 -12.700 0.813 65 HG SER 9 HG SER 9 5.658 -14.623 2.078 66 H LEU 10 H LEU 10 3.281 -11.322 2.951 67 HA LEU 10 HA LEU 10 4.896 -11.528 5.246 68 HB2 LEU 10 HB2 LEU 10 3.195 -9.356 4.085 69 HB3 LEU 10 HB3 LEU 10 3.975 -9.140 5.651 70 HG LEU 10 HG LEU 10 5.389 -9.673 3.038 71 HD11 LEU 10 HD11 LEU 10 5.319 -7.154 4.688 72 HD12 LEU 10 HD12 LEU 10 4.336 -7.426 3.250 73 HD13 LEU 10 HD13 LEU 10 6.095 -7.391 3.121 74 HD21 LEU 10 HD21 LEU 10 7.208 -8.698 4.859 75 HD22 LEU 10 HD22 LEU 10 7.041 -10.382 4.361 76 HD23 LEU 10 HD23 LEU 10 6.232 -9.810 5.821 77 H ALA 11 H ALA 11 1.412 -11.420 4.807 78 HA ALA 11 HA ALA 11 0.674 -10.985 7.485 79 HB1 ALA 11 HB1 ALA 11 -1.492 -12.086 6.777 80 HB2 ALA 11 HB2 ALA 11 -0.986 -10.683 5.835 81 HB3 ALA 11 HB3 ALA 11 -0.751 -12.309 5.192 82 H ILE 12 H ILE 12 0.839 -14.043 5.652 83 HA ILE 12 HA ILE 12 0.312 -15.718 7.849 84 HB ILE 12 HB ILE 12 1.283 -17.534 6.462 85 HG12 ILE 12 HG12 ILE 12 1.890 -15.262 4.557 86 HG13 ILE 12 HG13 ILE 12 3.069 -16.284 5.372 87 HG21 ILE 12 HG21 ILE 12 -1.022 -16.046 6.036 88 HG22 ILE 12 HG22 ILE 12 -0.333 -16.264 4.429 89 HG23 ILE 12 HG23 ILE 12 -0.687 -17.669 5.434 90 HD11 ILE 12 HD11 ILE 12 2.988 -17.180 3.252 91 HD12 ILE 12 HD12 ILE 12 1.874 -18.218 4.142 92 HD13 ILE 12 HD13 ILE 12 1.248 -16.938 3.102 93 H THR 13 H THR 13 3.303 -14.406 6.546 94 HA THR 13 HA THR 13 5.125 -15.992 7.967 95 HB THR 13 HB THR 13 5.420 -13.126 7.047 96 HG1 THR 13 HG1 THR 13 6.058 -15.638 5.870 97 HG21 THR 13 HG21 THR 13 7.191 -13.291 8.498 98 HG22 THR 13 HG22 THR 13 7.920 -13.983 7.049 99 HG23 THR 13 HG23 THR 13 7.312 -15.041 8.322 100 H PHE 14 H PHE 14 3.971 -12.704 8.745 101 HA PHE 14 HA PHE 14 5.189 -12.557 11.267 102 HB2 PHE 14 HB2 PHE 14 4.287 -10.613 9.988 103 HB3 PHE 14 HB3 PHE 14 2.659 -11.155 10.386 104 HD1 PHE 14 HD1 PHE 14 1.639 -10.022 12.088 105 HD2 PHE 14 HD2 PHE 14 5.863 -10.531 12.202 106 HE1 PHE 14 HE1 PHE 14 1.731 -8.753 14.194 107 HE2 PHE 14 HE2 PHE 14 5.962 -9.263 14.309 108 HZ PHE 14 HZ PHE 14 3.895 -8.372 15.307 109 H GLY 15 H GLY 15 2.021 -13.740 10.263 110 HA2 GLY 15 HA2 GLY 15 0.876 -14.039 12.811 111 HA3 GLY 15 HA3 GLY 15 0.423 -14.951 11.378 112 H ILE 16 H ILE 16 2.589 -16.440 10.811 113 HA ILE 16 HA ILE 16 2.436 -18.532 12.685 114 HB ILE 16 HB ILE 16 4.423 -18.052 10.464 115 HG12 ILE 16 HG12 ILE 16 2.048 -18.354 9.797 116 HG13 ILE 16 HG13 ILE 16 3.088 -19.652 9.221 117 HG21 ILE 16 HG21 ILE 16 5.646 -19.625 11.486 118 HG22 ILE 16 HG22 ILE 16 4.319 -20.107 12.542 119 HG23 ILE 16 HG23 ILE 16 4.416 -20.745 10.901 120 HD11 ILE 16 HD11 ILE 16 1.908 -21.185 10.302 121 HD12 ILE 16 HD12 ILE 16 1.939 -20.259 11.804 122 HD13 ILE 16 HD13 ILE 16 0.707 -19.925 10.587 123 H VAL 17 H VAL 17 5.216 -16.444 11.872 124 HA VAL 17 HA VAL 17 6.968 -17.328 13.820 125 HB VAL 17 HB VAL 17 7.505 -15.725 11.965 126 HG11 VAL 17 HG11 VAL 17 6.368 -13.679 13.867 127 HG12 VAL 17 HG12 VAL 17 7.190 -13.346 12.342 128 HG13 VAL 17 HG13 VAL 17 5.634 -14.178 12.343 129 HG21 VAL 17 HG21 VAL 17 8.396 -15.243 14.787 130 HG22 VAL 17 HG22 VAL 17 9.239 -16.084 13.486 131 HG23 VAL 17 HG23 VAL 17 9.078 -14.328 13.442 132 H MET 18 H MET 18 4.315 -15.040 14.085 133 HA MET 18 HA MET 18 4.975 -14.055 16.660 134 HB2 MET 18 HB2 MET 18 3.466 -12.836 15.192 135 HB3 MET 18 HB3 MET 18 2.319 -14.169 15.221 136 HG2 MET 18 HG2 MET 18 1.547 -13.648 17.289 137 HG3 MET 18 HG3 MET 18 3.091 -12.984 17.820 138 HE1 MET 18 HE1 MET 18 -0.492 -11.662 17.362 139 HE2 MET 18 HE2 MET 18 -0.378 -10.920 15.765 140 HE3 MET 18 HE3 MET 18 -0.087 -12.650 15.958 141 H MET 19 H MET 19 2.660 -16.535 15.577 142 HA MET 19 HA MET 19 1.664 -17.268 18.064 143 HB2 MET 19 HB2 MET 19 0.677 -18.050 15.979 144 HB3 MET 19 HB3 MET 19 2.118 -18.992 15.622 145 HG2 MET 19 HG2 MET 19 1.689 -20.358 17.625 146 HG3 MET 19 HG3 MET 19 0.208 -19.444 17.902 147 HE1 MET 19 HE1 MET 19 -2.374 -21.028 15.861 148 HE2 MET 19 HE2 MET 19 -1.870 -20.031 17.225 149 HE3 MET 19 HE3 MET 19 -1.765 -19.397 15.582 150 H THR 20 H THR 20 4.452 -18.596 16.302 151 HA THR 20 HA THR 20 5.163 -20.528 18.214 152 HB THR 20 HB THR 20 7.562 -19.754 17.032 153 HG1 THR 20 HG1 THR 20 5.580 -19.677 15.010 154 HG21 THR 20 HG21 THR 20 6.534 -21.640 15.318 155 HG22 THR 20 HG22 THR 20 5.590 -21.896 16.785 156 HG23 THR 20 HG23 THR 20 7.350 -21.980 16.844 157 H LEU 21 H LEU 21 6.342 -17.209 17.718 158 HA LEU 21 HA LEU 21 8.238 -17.172 19.766 159 HB2 LEU 21 HB2 LEU 21 8.140 -15.446 18.081 160 HB3 LEU 21 HB3 LEU 21 6.549 -14.940 18.648 161 HG LEU 21 HG LEU 21 7.493 -14.076 20.687 162 HD11 LEU 21 HD11 LEU 21 9.218 -15.710 21.091 163 HD12 LEU 21 HD12 LEU 21 9.933 -14.098 21.060 164 HD13 LEU 21 HD13 LEU 21 10.112 -15.168 19.669 165 HD21 LEU 21 HD21 LEU 21 7.509 -12.557 18.823 166 HD22 LEU 21 HD22 LEU 21 9.030 -13.228 18.235 167 HD23 LEU 21 HD23 LEU 21 8.990 -12.331 19.754 168 H ILE 22 H ILE 22 4.766 -16.714 19.842 169 HA ILE 22 HA ILE 22 4.636 -15.692 22.495 170 HB ILE 22 HB ILE 22 2.533 -17.033 20.794 171 HG12 ILE 22 HG12 ILE 22 2.532 -14.141 21.545 172 HG13 ILE 22 HG13 ILE 22 3.638 -14.679 20.285 173 HG21 ILE 22 HG21 ILE 22 2.424 -15.898 23.554 174 HG22 ILE 22 HG22 ILE 22 1.015 -15.780 22.502 175 HG23 ILE 22 HG23 ILE 22 1.680 -17.361 22.911 176 HD11 ILE 22 HD11 ILE 22 1.808 -15.492 18.962 177 HD12 ILE 22 HD12 ILE 22 0.664 -15.129 20.255 178 HD13 ILE 22 HD13 ILE 22 1.498 -13.818 19.420 179 H VAL 23 H VAL 23 3.929 -18.912 21.135 180 HA VAL 23 HA VAL 23 3.452 -20.174 23.605 181 HB VAL 23 HB VAL 23 2.712 -21.183 21.525 182 HG11 VAL 23 HG11 VAL 23 4.573 -20.462 20.106 183 HG12 VAL 23 HG12 VAL 23 5.636 -21.614 20.917 184 HG13 VAL 23 HG13 VAL 23 4.276 -22.193 19.954 185 HG21 VAL 23 HG21 VAL 23 3.317 -23.463 21.968 186 HG22 VAL 23 HG22 VAL 23 4.780 -22.959 22.815 187 HG23 VAL 23 HG23 VAL 23 3.195 -22.610 23.507 188 H ILE 24 H ILE 24 6.389 -19.640 21.750 189 HA ILE 24 HA ILE 24 8.034 -21.350 23.339 190 HB ILE 24 HB ILE 24 8.758 -19.116 21.443 191 HG12 ILE 24 HG12 ILE 24 9.185 -22.058 21.005 192 HG13 ILE 24 HG13 ILE 24 7.624 -21.322 20.658 193 HG21 ILE 24 HG21 ILE 24 10.450 -20.956 23.080 194 HG22 ILE 24 HG22 ILE 24 11.019 -20.392 21.510 195 HG23 ILE 24 HG23 ILE 24 10.640 -19.228 22.779 196 HD11 ILE 24 HD11 ILE 24 8.655 -21.236 18.613 197 HD12 ILE 24 HD12 ILE 24 9.043 -19.643 19.266 198 HD13 ILE 24 HD13 ILE 24 10.247 -20.931 19.307 199 H TYR 25 H TYR 25 7.423 -17.861 23.266 200 HA TYR 25 HA TYR 25 9.294 -17.180 25.273 201 HB2 TYR 25 HB2 TYR 25 8.288 -15.568 23.655 202 HB3 TYR 25 HB3 TYR 25 6.765 -15.698 24.527 203 HD1 TYR 25 HD1 TYR 25 6.338 -13.795 25.750 204 HD2 TYR 25 HD2 TYR 25 10.330 -15.257 25.578 205 HE1 TYR 25 HE1 TYR 25 7.054 -12.004 27.276 206 HE2 TYR 25 HE2 TYR 25 11.057 -13.471 27.104 207 HH TYR 25 HH TYR 25 9.263 -11.859 29.035 208 H HIS 26 H HIS 26 5.842 -17.947 25.372 209 HA HIS 26 HA HIS 26 5.539 -17.448 28.157 210 HB2 HIS 26 HB2 HIS 26 3.661 -17.456 26.508 211 HB3 HIS 26 HB3 HIS 26 3.829 -19.204 26.386 212 HD1 HIS 26 HD1 HIS 26 3.068 -16.577 29.021 213 HD2 HIS 26 HD2 HIS 26 2.360 -20.588 28.203 214 HE1 HIS 26 HE1 HIS 26 1.487 -17.359 30.812 215 H ALA 27 H ALA 27 6.076 -20.376 26.236 216 HA ALA 27 HA ALA 27 5.901 -22.237 28.325 217 HB1 ALA 27 HB1 ALA 27 5.831 -23.021 26.083 218 HB2 ALA 27 HB2 ALA 27 7.408 -22.320 25.721 219 HB3 ALA 27 HB3 ALA 27 7.285 -23.693 26.820 220 H VAL 28 H VAL 28 8.727 -20.555 26.971 221 HA VAL 28 HA VAL 28 10.599 -21.741 28.748 222 HB VAL 28 HB VAL 28 10.819 -19.172 27.173 223 HG11 VAL 28 HG11 VAL 28 13.300 -19.668 27.408 224 HG12 VAL 28 HG12 VAL 28 12.472 -19.075 28.849 225 HG13 VAL 28 HG13 VAL 28 12.847 -20.791 28.690 226 HG21 VAL 28 HG21 VAL 28 11.190 -20.401 25.357 227 HG22 VAL 28 HG22 VAL 28 12.379 -21.392 26.203 228 HG23 VAL 28 HG23 VAL 28 10.669 -21.814 26.276 229 H ASP 29 H ASP 29 8.753 -18.734 28.794 230 HA ASP 29 HA ASP 29 10.025 -17.609 31.061 231 HB2 ASP 29 HB2 ASP 29 8.706 -16.262 29.487 232 HB3 ASP 29 HB3 ASP 29 7.244 -17.116 29.974 233 H SER 30 H SER 30 7.282 -19.768 30.652 234 HA SER 30 HA SER 30 6.419 -19.639 33.369 235 HB2 SER 30 HB2 SER 30 5.850 -21.592 31.135 236 HB3 SER 30 HB3 SER 30 5.127 -21.729 32.737 237 HG SER 30 HG SER 30 3.952 -20.510 31.003 238 H THR 31 H THR 31 8.150 -22.135 31.505 239 HA THR 31 HA THR 31 8.645 -23.853 33.669 240 HB THR 31 HB THR 31 8.881 -24.597 31.351 241 HG1 THR 31 HG1 THR 31 10.351 -25.998 31.977 242 HG21 THR 31 HG21 THR 31 10.435 -23.797 29.852 243 HG22 THR 31 HG22 THR 31 11.526 -23.233 31.118 244 HG23 THR 31 HG23 THR 31 10.060 -22.326 30.748 245 H MET 32 H MET 32 10.415 -21.082 32.426 246 HA MET 32 HA MET 32 12.852 -21.383 33.685 247 HB2 MET 32 HB2 MET 32 12.517 -19.588 32.132 248 HB3 MET 32 HB3 MET 32 11.255 -18.883 33.133 249 HG2 MET 32 HG2 MET 32 13.328 -17.626 33.297 250 HG3 MET 32 HG3 MET 32 12.885 -18.341 34.846 251 HE1 MET 32 HE1 MET 32 15.060 -17.933 32.034 252 HE2 MET 32 HE2 MET 32 16.344 -17.646 33.208 253 HE3 MET 32 HE3 MET 32 16.405 -19.067 32.164 254 H SER 33 H SER 33 9.844 -20.053 34.995 255 HA SER 33 HA SER 33 11.102 -19.901 37.645 256 HB2 SER 33 HB2 SER 33 8.838 -18.464 36.342 257 HB3 SER 33 HB3 SER 33 8.756 -18.712 38.086 258 HG SER 33 HG SER 33 10.241 -17.250 38.336 259 HA PRO 34 HA PRO 34 8.812 -23.267 39.277 260 HB2 PRO 34 HB2 PRO 34 8.152 -22.381 41.757 261 HB3 PRO 34 HB3 PRO 34 9.800 -22.834 41.305 262 HG2 PRO 34 HG2 PRO 34 8.561 -20.114 41.476 263 HG3 PRO 34 HG3 PRO 34 10.160 -20.651 42.022 264 HD2 PRO 34 HD2 PRO 34 9.790 -19.309 39.700 265 HD3 PRO 34 HD3 PRO 34 11.064 -20.528 39.906 266 H LYS 35 H LYS 35 7.267 -20.103 39.579 267 HA LYS 35 HA LYS 35 4.637 -21.422 39.476 268 HB2 LYS 35 HB2 LYS 35 3.712 -19.384 40.449 269 HB3 LYS 35 HB3 LYS 35 4.993 -20.028 41.468 270 HG2 LYS 35 HG2 LYS 35 5.742 -17.982 39.459 271 HG3 LYS 35 HG3 LYS 35 4.815 -17.456 40.866 272 HD2 LYS 35 HD2 LYS 35 6.630 -18.931 42.128 273 HD3 LYS 35 HD3 LYS 35 7.580 -18.529 40.696 274 HE2 LYS 35 HE2 LYS 35 7.029 -16.126 41.107 275 HE3 LYS 35 HE3 LYS 35 6.280 -16.613 42.627 276 HZ1 LYS 35 HZ1 LYS 35 9.002 -16.144 42.076 277 HZ2 LYS 35 HZ2 LYS 35 8.812 -17.753 42.560 278 HZ3 LYS 35 HZ3 LYS 35 8.270 -16.500 43.559 279 H ASN 36 H ASN 36 2.929 -20.010 38.375 280 HA ASN 36 HA ASN 36 3.620 -19.696 35.673 281 HB2 ASN 36 HB2 ASN 36 1.228 -18.645 37.198 282 HB3 ASN 36 HB3 ASN 36 1.369 -18.653 35.442 283 HD21 ASN 36 HD21 ASN 36 1.661 -20.756 34.411 284 HD22 ASN 36 HD22 ASN 36 0.897 -22.137 35.113 285 H ARG 37 H ARG 37 2.698 -17.178 38.029 286 HA ARG 37 HA ARG 37 3.992 -15.179 36.323 287 HB2 ARG 37 HB2 ARG 37 1.864 -15.104 38.401 288 HB3 ARG 37 HB3 ARG 37 2.879 -13.678 38.229 289 HG2 ARG 37 HG2 ARG 37 2.309 -13.818 35.732 290 HG3 ARG 37 HG3 ARG 37 1.015 -14.907 36.236 291 HD2 ARG 37 HD2 ARG 37 -0.037 -12.844 36.223 292 HD3 ARG 37 HD3 ARG 37 0.419 -13.033 37.915 293 HE ARG 37 HE ARG 37 2.364 -11.633 36.318 294 HH11 ARG 37 HH11 ARG 37 -0.499 -11.345 38.278 295 HH12 ARG 37 HH12 ARG 37 -0.225 -9.678 38.664 296 HH21 ARG 37 HH21 ARG 37 2.736 -9.439 36.820 297 HH22 ARG 37 HH22 ARG 37 1.615 -8.595 37.833 298 H LEU 38 H LEU 38 5.902 -14.329 36.830 299 HA LEU 38 HA LEU 38 7.518 -15.273 38.879 300 HB2 LEU 38 HB2 LEU 38 9.092 -13.695 38.223 301 HB3 LEU 38 HB3 LEU 38 8.145 -13.982 36.764 302 HG LEU 38 HG LEU 38 7.770 -11.620 38.603 303 HD11 LEU 38 HD11 LEU 38 8.749 -10.510 36.411 304 HD12 LEU 38 HD12 LEU 38 9.551 -12.074 36.272 305 HD13 LEU 38 HD13 LEU 38 9.795 -11.083 37.711 306 HD21 LEU 38 HD21 LEU 38 6.687 -10.818 36.349 307 HD22 LEU 38 HD22 LEU 38 5.769 -11.793 37.497 308 HD23 LEU 38 HD23 LEU 38 6.492 -12.550 36.077 309 H GLU 39 H GLU 39 8.397 -14.143 40.744 310 HA GLU 39 HA GLU 39 6.451 -13.282 42.533 311 HB2 GLU 39 HB2 GLU 39 8.918 -14.099 42.898 312 HB3 GLU 39 HB3 GLU 39 9.289 -12.382 42.842 313 HG2 GLU 39 HG2 GLU 39 9.028 -13.001 45.119 314 HG3 GLU 39 HG3 GLU 39 7.631 -12.029 44.661 Start of MODEL 13 1 H1 MET 1 H MET 1 1.515 -0.743 1.748 2 HA MET 1 HA MET 1 0.509 -0.254 -0.682 3 HB2 MET 1 HB2 MET 1 2.885 0.311 -1.429 4 HB3 MET 1 HB3 MET 1 2.293 1.112 0.021 5 HG2 MET 1 HG2 MET 1 3.620 -1.377 0.648 6 HG3 MET 1 HG3 MET 1 4.664 -0.288 -0.263 7 HE1 MET 1 HE1 MET 1 5.775 1.350 0.347 8 HE2 MET 1 HE2 MET 1 5.410 2.571 1.565 9 HE3 MET 1 HE3 MET 1 6.414 1.182 1.982 10 H ILE 2 H ILE 2 2.612 -2.957 0.109 11 HA ILE 2 HA ILE 2 3.069 -3.840 -2.538 12 HB ILE 2 HB ILE 2 3.776 -5.950 -1.556 13 HG12 ILE 2 HG12 ILE 2 2.723 -4.855 1.061 14 HG13 ILE 2 HG13 ILE 2 1.951 -6.126 0.118 15 HG21 ILE 2 HG21 ILE 2 5.307 -4.049 -1.473 16 HG22 ILE 2 HG22 ILE 2 4.658 -3.591 0.101 17 HG23 ILE 2 HG23 ILE 2 5.532 -5.112 -0.084 18 HD11 ILE 2 HD11 ILE 2 4.332 -7.247 0.372 19 HD12 ILE 2 HD12 ILE 2 4.379 -6.220 1.806 20 HD13 ILE 2 HD13 ILE 2 3.084 -7.400 1.608 21 H SER 3 H SER 3 2.266 -5.911 -3.433 22 HA SER 3 HA SER 3 -0.461 -5.895 -3.855 23 HB2 SER 3 HB2 SER 3 1.363 -7.131 -5.168 24 HB3 SER 3 HB3 SER 3 1.170 -8.429 -3.990 25 HG SER 3 HG SER 3 -0.354 -7.845 -6.120 26 H ASP 4 H ASP 4 -2.028 -7.665 -3.334 27 HA ASP 4 HA ASP 4 -2.373 -7.850 -0.534 28 HB2 ASP 4 HB2 ASP 4 -4.136 -7.921 -2.450 29 HB3 ASP 4 HB3 ASP 4 -3.800 -9.650 -2.468 30 H GLU 5 H GLU 5 -1.352 -10.201 -2.981 31 HA GLU 5 HA GLU 5 -1.236 -12.466 -1.364 32 HB2 GLU 5 HB2 GLU 5 0.448 -13.305 -3.007 33 HB3 GLU 5 HB3 GLU 5 -1.020 -12.679 -3.744 34 HG2 GLU 5 HG2 GLU 5 0.282 -10.486 -4.003 35 HG3 GLU 5 HG3 GLU 5 1.713 -11.463 -3.682 36 H GLN 6 H GLN 6 1.243 -10.009 -2.002 37 HA GLN 6 HA GLN 6 3.272 -11.218 -0.455 38 HB2 GLN 6 HB2 GLN 6 2.912 -8.293 -1.126 39 HB3 GLN 6 HB3 GLN 6 4.400 -9.053 -0.578 40 HG2 GLN 6 HG2 GLN 6 4.240 -10.517 -2.642 41 HG3 GLN 6 HG3 GLN 6 2.990 -9.407 -3.201 42 HE21 GLN 6 HE21 GLN 6 6.366 -9.765 -2.416 43 HE22 GLN 6 HE22 GLN 6 6.911 -8.341 -3.229 44 H LEU 7 H LEU 7 0.896 -8.692 0.295 45 HA LEU 7 HA LEU 7 1.768 -8.156 2.909 46 HB2 LEU 7 HB2 LEU 7 0.037 -6.951 1.363 47 HB3 LEU 7 HB3 LEU 7 -1.121 -8.007 2.169 48 HG LEU 7 HG LEU 7 -1.048 -5.785 3.187 49 HD11 LEU 7 HD11 LEU 7 0.224 -7.543 5.219 50 HD12 LEU 7 HD12 LEU 7 -1.282 -8.072 4.472 51 HD13 LEU 7 HD13 LEU 7 -1.220 -6.537 5.336 52 HD21 LEU 7 HD21 LEU 7 0.862 -4.697 3.468 53 HD22 LEU 7 HD22 LEU 7 1.748 -6.095 2.859 54 HD23 LEU 7 HD23 LEU 7 1.423 -5.940 4.586 55 H ASN 8 H ASN 8 -0.684 -10.415 1.690 56 HA ASN 8 HA ASN 8 -1.555 -11.364 4.184 57 HB2 ASN 8 HB2 ASN 8 -2.818 -11.777 2.140 58 HB3 ASN 8 HB3 ASN 8 -1.505 -12.760 1.500 59 HD21 ASN 8 HD21 ASN 8 -1.975 -14.823 1.559 60 HD22 ASN 8 HD22 ASN 8 -2.841 -15.640 2.811 61 H SER 9 H SER 9 0.889 -12.662 1.949 62 HA SER 9 HA SER 9 1.623 -14.903 3.425 63 HB2 SER 9 HB2 SER 9 3.645 -14.943 2.114 64 HB3 SER 9 HB3 SER 9 2.337 -14.378 1.074 65 HG SER 9 HG SER 9 4.623 -13.135 1.741 66 H LEU 10 H LEU 10 3.010 -11.629 3.490 67 HA LEU 10 HA LEU 10 4.955 -12.149 5.456 68 HB2 LEU 10 HB2 LEU 10 3.628 -9.682 4.419 69 HB3 LEU 10 HB3 LEU 10 4.674 -9.583 5.834 70 HG LEU 10 HG LEU 10 5.565 -10.675 3.169 71 HD11 LEU 10 HD11 LEU 10 4.915 -8.043 3.701 72 HD12 LEU 10 HD12 LEU 10 5.971 -8.623 2.414 73 HD13 LEU 10 HD13 LEU 10 6.660 -8.108 3.953 74 HD21 LEU 10 HD21 LEU 10 6.792 -11.378 5.236 75 HD22 LEU 10 HD22 LEU 10 7.186 -9.680 5.506 76 HD23 LEU 10 HD23 LEU 10 7.770 -10.502 4.058 77 H ALA 11 H ALA 11 1.579 -11.197 5.664 78 HA ALA 11 HA ALA 11 1.509 -10.505 8.386 79 HB1 ALA 11 HB1 ALA 11 -0.921 -10.926 8.222 80 HB2 ALA 11 HB2 ALA 11 -0.305 -9.923 6.908 81 HB3 ALA 11 HB3 ALA 11 -0.665 -11.626 6.623 82 H ILE 12 H ILE 12 0.606 -13.579 6.814 83 HA ILE 12 HA ILE 12 0.161 -14.991 9.209 84 HB ILE 12 HB ILE 12 0.371 -17.039 7.821 85 HG12 ILE 12 HG12 ILE 12 1.078 -15.061 5.644 86 HG13 ILE 12 HG13 ILE 12 2.137 -16.300 6.308 87 HG21 ILE 12 HG21 ILE 12 -1.265 -15.095 6.253 88 HG22 ILE 12 HG22 ILE 12 -1.655 -16.737 6.764 89 HG23 ILE 12 HG23 ILE 12 -1.670 -15.422 7.938 90 HD11 ILE 12 HD11 ILE 12 0.024 -16.503 4.297 91 HD12 ILE 12 HD12 ILE 12 1.468 -17.486 4.539 92 HD13 ILE 12 HD13 ILE 12 0.023 -17.791 5.502 93 H THR 13 H THR 13 3.039 -14.478 7.262 94 HA THR 13 HA THR 13 4.700 -16.417 8.418 95 HB THR 13 HB THR 13 5.444 -13.732 7.244 96 HG1 THR 13 HG1 THR 13 5.992 -15.155 5.431 97 HG21 THR 13 HG21 THR 13 7.374 -14.286 8.379 98 HG22 THR 13 HG22 THR 13 7.643 -15.108 6.842 99 HG23 THR 13 HG23 THR 13 7.082 -16.020 8.243 100 H PHE 14 H PHE 14 4.604 -12.918 9.127 101 HA PHE 14 HA PHE 14 6.267 -13.049 11.383 102 HB2 PHE 14 HB2 PHE 14 5.605 -10.982 10.052 103 HB3 PHE 14 HB3 PHE 14 4.097 -10.995 10.962 104 HD1 PHE 14 HD1 PHE 14 4.057 -10.440 13.315 105 HD2 PHE 14 HD2 PHE 14 7.697 -10.405 11.109 106 HE1 PHE 14 HE1 PHE 14 5.142 -9.184 15.131 107 HE2 PHE 14 HE2 PHE 14 8.788 -9.149 12.922 108 HZ PHE 14 HZ PHE 14 7.510 -8.538 14.937 109 H GLY 15 H GLY 15 2.776 -13.350 11.022 110 HA2 GLY 15 HA2 GLY 15 2.042 -13.190 13.719 111 HA3 GLY 15 HA3 GLY 15 1.151 -14.058 12.478 112 H ILE 16 H ILE 16 2.666 -16.116 11.778 113 HA ILE 16 HA ILE 16 2.405 -17.911 13.937 114 HB ILE 16 HB ILE 16 3.913 -18.245 11.342 115 HG12 ILE 16 HG12 ILE 16 1.490 -17.800 11.097 116 HG13 ILE 16 HG13 ILE 16 1.923 -19.427 10.581 117 HG21 ILE 16 HG21 ILE 16 3.121 -20.742 12.177 118 HG22 ILE 16 HG22 ILE 16 4.750 -20.079 12.299 119 HG23 ILE 16 HG23 ILE 16 3.649 -19.968 13.672 120 HD11 ILE 16 HD11 ILE 16 0.514 -20.326 12.029 121 HD12 ILE 16 HD12 ILE 16 1.194 -19.394 13.364 122 HD13 ILE 16 HD13 ILE 16 -0.080 -18.699 12.361 123 H VAL 17 H VAL 17 5.325 -16.650 12.325 124 HA VAL 17 HA VAL 17 7.254 -17.866 13.872 125 HB VAL 17 HB VAL 17 7.330 -15.071 12.727 126 HG11 VAL 17 HG11 VAL 17 9.297 -16.658 14.219 127 HG12 VAL 17 HG12 VAL 17 9.897 -15.955 12.715 128 HG13 VAL 17 HG13 VAL 17 9.202 -14.916 13.961 129 HG21 VAL 17 HG21 VAL 17 8.852 -17.144 11.374 130 HG22 VAL 17 HG22 VAL 17 7.122 -17.488 11.407 131 HG23 VAL 17 HG23 VAL 17 7.706 -15.973 10.719 132 H MET 18 H MET 18 5.805 -14.655 14.437 133 HA MET 18 HA MET 18 7.113 -14.105 16.839 134 HB2 MET 18 HB2 MET 18 5.654 -12.574 15.356 135 HB3 MET 18 HB3 MET 18 4.300 -13.201 16.285 136 HG2 MET 18 HG2 MET 18 4.757 -11.355 17.512 137 HG3 MET 18 HG3 MET 18 5.831 -12.496 18.316 138 HE1 MET 18 HE1 MET 18 6.509 -10.354 19.262 139 HE2 MET 18 HE2 MET 18 8.238 -10.628 19.048 140 HE3 MET 18 HE3 MET 18 7.509 -9.118 18.500 141 H MET 19 H MET 19 3.939 -15.609 16.279 142 HA MET 19 HA MET 19 3.163 -15.944 18.922 143 HB2 MET 19 HB2 MET 19 2.429 -17.084 16.333 144 HB3 MET 19 HB3 MET 19 2.197 -18.208 17.666 145 HG2 MET 19 HG2 MET 19 0.176 -16.937 17.197 146 HG3 MET 19 HG3 MET 19 0.794 -16.602 18.813 147 HE1 MET 19 HE1 MET 19 -1.231 -14.983 18.172 148 HE2 MET 19 HE2 MET 19 -0.878 -13.301 17.778 149 HE3 MET 19 HE3 MET 19 -1.194 -14.462 16.488 150 H THR 20 H THR 20 5.028 -18.155 16.856 151 HA THR 20 HA THR 20 5.332 -20.226 18.711 152 HB THR 20 HB THR 20 7.514 -19.562 16.761 153 HG1 THR 20 HG1 THR 20 4.857 -20.344 16.200 154 HG21 THR 20 HG21 THR 20 8.129 -21.675 17.127 155 HG22 THR 20 HG22 THR 20 6.506 -22.264 16.770 156 HG23 THR 20 HG23 THR 20 6.917 -21.746 18.405 157 H LEU 21 H LEU 21 7.465 -17.467 18.008 158 HA LEU 21 HA LEU 21 9.502 -18.080 19.806 159 HB2 LEU 21 HB2 LEU 21 9.232 -16.192 17.997 160 HB3 LEU 21 HB3 LEU 21 8.695 -15.243 19.381 161 HG LEU 21 HG LEU 21 11.036 -14.831 18.940 162 HD11 LEU 21 HD11 LEU 21 9.984 -15.297 21.351 163 HD12 LEU 21 HD12 LEU 21 11.669 -14.839 21.111 164 HD13 LEU 21 HD13 LEU 21 11.242 -16.533 21.348 165 HD21 LEU 21 HD21 LEU 21 11.187 -17.388 18.090 166 HD22 LEU 21 HD22 LEU 21 11.915 -17.540 19.689 167 HD23 LEU 21 HD23 LEU 21 12.589 -16.407 18.517 168 H ILE 22 H ILE 22 6.480 -16.318 20.297 169 HA ILE 22 HA ILE 22 7.002 -15.490 22.947 170 HB ILE 22 HB ILE 22 4.344 -15.979 21.597 171 HG12 ILE 22 HG12 ILE 22 5.505 -13.271 22.085 172 HG13 ILE 22 HG13 ILE 22 6.131 -14.219 20.740 173 HG21 ILE 22 HG21 ILE 22 5.093 -14.966 24.273 174 HG22 ILE 22 HG22 ILE 22 3.809 -14.106 23.425 175 HG23 ILE 22 HG23 ILE 22 3.649 -15.832 23.749 176 HD11 ILE 22 HD11 ILE 22 4.486 -13.103 19.662 177 HD12 ILE 22 HD12 ILE 22 3.544 -14.482 20.228 178 HD13 ILE 22 HD13 ILE 22 3.485 -12.954 21.106 179 H VAL 23 H VAL 23 5.334 -18.324 21.619 180 HA VAL 23 HA VAL 23 4.577 -19.412 24.126 181 HB VAL 23 HB VAL 23 4.975 -20.835 21.489 182 HG11 VAL 23 HG11 VAL 23 3.104 -22.278 22.708 183 HG12 VAL 23 HG12 VAL 23 4.826 -22.605 22.911 184 HG13 VAL 23 HG13 VAL 23 3.950 -21.689 24.138 185 HG21 VAL 23 HG21 VAL 23 3.028 -20.003 20.794 186 HG22 VAL 23 HG22 VAL 23 2.243 -20.363 22.331 187 HG23 VAL 23 HG23 VAL 23 3.138 -18.857 22.130 188 H ILE 24 H ILE 24 7.400 -19.822 22.055 189 HA ILE 24 HA ILE 24 8.537 -21.956 23.569 190 HB ILE 24 HB ILE 24 9.853 -20.054 21.626 191 HG12 ILE 24 HG12 ILE 24 9.180 -22.915 21.046 192 HG13 ILE 24 HG13 ILE 24 7.918 -21.693 20.929 193 HG21 ILE 24 HG21 ILE 24 11.415 -22.186 21.508 194 HG22 ILE 24 HG22 ILE 24 11.681 -20.905 22.689 195 HG23 ILE 24 HG23 ILE 24 10.853 -22.387 23.167 196 HD11 ILE 24 HD11 ILE 24 10.535 -21.443 19.486 197 HD12 ILE 24 HD12 ILE 24 9.140 -22.276 18.800 198 HD13 ILE 24 HD13 ILE 24 9.034 -20.562 19.200 199 H TYR 25 H TYR 25 8.998 -18.449 23.494 200 HA TYR 25 HA TYR 25 11.155 -18.372 25.318 201 HB2 TYR 25 HB2 TYR 25 10.673 -16.489 23.853 202 HB3 TYR 25 HB3 TYR 25 9.106 -16.258 24.620 203 HD1 TYR 25 HD1 TYR 25 9.238 -14.140 25.588 204 HD2 TYR 25 HD2 TYR 25 12.420 -16.900 26.195 205 HE1 TYR 25 HE1 TYR 25 10.258 -12.599 27.211 206 HE2 TYR 25 HE2 TYR 25 13.447 -15.367 27.821 207 HH TYR 25 HH TYR 25 12.775 -12.232 28.071 208 H HIS 26 H HIS 26 7.654 -18.003 25.744 209 HA HIS 26 HA HIS 26 7.772 -17.523 28.539 210 HB2 HIS 26 HB2 HIS 26 5.571 -18.337 26.658 211 HB3 HIS 26 HB3 HIS 26 5.294 -18.239 28.394 212 HD1 HIS 26 HD1 HIS 26 3.616 -16.286 28.003 213 HD2 HIS 26 HD2 HIS 26 7.513 -15.478 26.812 214 HE1 HIS 26 HE1 HIS 26 3.709 -13.798 27.651 215 H ALA 27 H ALA 27 7.162 -20.431 26.603 216 HA ALA 27 HA ALA 27 6.614 -22.195 28.699 217 HB1 ALA 27 HB1 ALA 27 7.472 -23.954 27.059 218 HB2 ALA 27 HB2 ALA 27 6.115 -22.953 26.540 219 HB3 ALA 27 HB3 ALA 27 7.741 -22.611 25.948 220 H VAL 28 H VAL 28 9.712 -21.533 27.066 221 HA VAL 28 HA VAL 28 11.251 -23.237 28.720 222 HB VAL 28 HB VAL 28 12.142 -20.846 27.101 223 HG11 VAL 28 HG11 VAL 28 13.946 -21.213 28.481 224 HG12 VAL 28 HG12 VAL 28 13.623 -22.942 28.624 225 HG13 VAL 28 HG13 VAL 28 14.321 -22.293 27.139 226 HG21 VAL 28 HG21 VAL 28 12.406 -23.731 26.321 227 HG22 VAL 28 HG22 VAL 28 10.957 -22.802 25.936 228 HG23 VAL 28 HG23 VAL 28 12.523 -22.294 25.305 229 H ASP 29 H ASP 29 10.429 -19.813 28.890 230 HA ASP 29 HA ASP 29 12.183 -19.122 30.988 231 HB2 ASP 29 HB2 ASP 29 11.121 -17.427 29.588 232 HB3 ASP 29 HB3 ASP 29 9.535 -17.893 30.195 233 H SER 30 H SER 30 8.931 -20.456 30.945 234 HA SER 30 HA SER 30 8.571 -20.202 33.790 235 HB2 SER 30 HB2 SER 30 6.782 -20.341 31.839 236 HB3 SER 30 HB3 SER 30 6.912 -22.072 32.152 237 HG SER 30 HG SER 30 5.481 -21.588 33.637 238 H THR 31 H THR 31 9.357 -22.805 31.528 239 HA THR 31 HA THR 31 9.359 -24.901 33.420 240 HB THR 31 HB THR 31 10.945 -24.738 30.850 241 HG1 THR 31 HG1 THR 31 9.105 -25.791 29.959 242 HG21 THR 31 HG21 THR 31 10.600 -26.801 32.881 243 HG22 THR 31 HG22 THR 31 11.768 -26.696 31.564 244 HG23 THR 31 HG23 THR 31 10.158 -27.350 31.265 245 H MET 32 H MET 32 11.887 -22.717 32.268 246 HA MET 32 HA MET 32 14.001 -24.003 33.685 247 HB2 MET 32 HB2 MET 32 14.520 -22.664 31.748 248 HB3 MET 32 HB3 MET 32 13.776 -21.245 32.473 249 HG2 MET 32 HG2 MET 32 15.521 -20.930 33.963 250 HG3 MET 32 HG3 MET 32 16.084 -22.592 33.806 251 HE1 MET 32 HE1 MET 32 16.279 -23.285 30.987 252 HE2 MET 32 HE2 MET 32 17.746 -22.598 30.291 253 HE3 MET 32 HE3 MET 32 17.808 -23.403 31.860 254 H SER 33 H SER 33 11.956 -21.181 34.318 255 HA SER 33 HA SER 33 12.511 -21.449 37.162 256 HB2 SER 33 HB2 SER 33 12.728 -18.787 37.084 257 HB3 SER 33 HB3 SER 33 14.133 -19.843 36.929 258 HG SER 33 HG SER 33 14.035 -18.224 35.291 259 HA PRO 34 HA PRO 34 8.308 -20.300 37.657 260 HB2 PRO 34 HB2 PRO 34 8.359 -18.857 39.956 261 HB3 PRO 34 HB3 PRO 34 8.586 -20.610 39.916 262 HG2 PRO 34 HG2 PRO 34 10.639 -18.438 40.094 263 HG3 PRO 34 HG3 PRO 34 10.552 -19.971 40.981 264 HD2 PRO 34 HD2 PRO 34 12.172 -19.616 38.840 265 HD3 PRO 34 HD3 PRO 34 11.428 -21.181 39.225 266 H LYS 35 H LYS 35 7.739 -18.938 36.000 267 HA LYS 35 HA LYS 35 8.593 -16.227 35.823 268 HB2 LYS 35 HB2 LYS 35 7.098 -16.047 33.956 269 HB3 LYS 35 HB3 LYS 35 7.872 -17.625 33.879 270 HG2 LYS 35 HG2 LYS 35 5.833 -18.590 34.951 271 HG3 LYS 35 HG3 LYS 35 5.069 -17.008 34.780 272 HD2 LYS 35 HD2 LYS 35 6.311 -18.279 32.385 273 HD3 LYS 35 HD3 LYS 35 4.747 -18.872 32.952 274 HE2 LYS 35 HE2 LYS 35 5.383 -15.998 32.291 275 HE3 LYS 35 HE3 LYS 35 4.544 -17.121 31.222 276 HZ1 LYS 35 HZ1 LYS 35 2.897 -17.378 33.107 277 HZ2 LYS 35 HZ2 LYS 35 2.873 -15.902 32.282 278 HZ3 LYS 35 HZ3 LYS 35 3.611 -16.010 33.800 279 H ASN 36 H ASN 36 7.316 -14.330 36.065 280 HA ASN 36 HA ASN 36 5.689 -14.351 38.408 281 HB2 ASN 36 HB2 ASN 36 6.250 -12.148 36.411 282 HB3 ASN 36 HB3 ASN 36 5.423 -11.921 37.949 283 HD21 ASN 36 HD21 ASN 36 6.632 -12.511 39.896 284 HD22 ASN 36 HD22 ASN 36 8.341 -12.254 39.915 285 H ARG 37 H ARG 37 3.670 -15.080 38.408 286 HA ARG 37 HA ARG 37 2.000 -14.650 36.030 287 HB2 ARG 37 HB2 ARG 37 1.756 -16.882 36.391 288 HB3 ARG 37 HB3 ARG 37 2.147 -16.755 38.101 289 HG2 ARG 37 HG2 ARG 37 -0.034 -16.249 38.695 290 HG3 ARG 37 HG3 ARG 37 -0.461 -15.727 37.065 291 HD2 ARG 37 HD2 ARG 37 0.076 -18.218 36.459 292 HD3 ARG 37 HD3 ARG 37 -0.216 -18.485 38.177 293 HE ARG 37 HE ARG 37 -2.347 -16.995 37.201 294 HH11 ARG 37 HH11 ARG 37 -0.946 -20.146 36.728 295 HH12 ARG 37 HH12 ARG 37 -2.449 -20.895 36.303 296 HH21 ARG 37 HH21 ARG 37 -4.333 -17.969 36.644 297 HH22 ARG 37 HH22 ARG 37 -4.375 -19.655 36.255 298 H LEU 38 H LEU 38 0.302 -13.315 36.090 299 HA LEU 38 HA LEU 38 -0.989 -12.647 38.597 300 HB2 LEU 38 HB2 LEU 38 -0.760 -10.180 38.089 301 HB3 LEU 38 HB3 LEU 38 0.672 -10.998 38.710 302 HG LEU 38 HG LEU 38 0.377 -10.697 35.762 303 HD11 LEU 38 HD11 LEU 38 -0.141 -8.485 37.024 304 HD12 LEU 38 HD12 LEU 38 1.008 -8.481 35.687 305 HD13 LEU 38 HD13 LEU 38 1.592 -8.479 37.351 306 HD21 LEU 38 HD21 LEU 38 2.485 -11.194 37.750 307 HD22 LEU 38 HD22 LEU 38 2.935 -10.117 36.427 308 HD23 LEU 38 HD23 LEU 38 2.343 -11.743 36.079 309 H GLU 39 H GLU 39 -2.652 -10.717 37.991 310 HA GLU 39 HA GLU 39 -3.933 -11.484 35.452 311 HB2 GLU 39 HB2 GLU 39 -6.130 -11.133 36.625 312 HB3 GLU 39 HB3 GLU 39 -5.217 -12.536 37.163 313 HG2 GLU 39 HG2 GLU 39 -4.401 -11.217 39.087 314 HG3 GLU 39 HG3 GLU 39 -5.431 -9.884 38.569 Start of MODEL 14 1 H1 MET 1 H MET 1 4.033 0.265 -4.845 2 HA MET 1 HA MET 1 4.950 -1.928 -6.119 3 HB2 MET 1 HB2 MET 1 5.788 -1.050 -3.350 4 HB3 MET 1 HB3 MET 1 6.724 -2.095 -4.410 5 HG2 MET 1 HG2 MET 1 5.895 0.562 -5.438 6 HG3 MET 1 HG3 MET 1 7.184 0.492 -4.238 7 HE1 MET 1 HE1 MET 1 9.735 0.345 -5.122 8 HE2 MET 1 HE2 MET 1 9.150 -1.168 -4.432 9 HE3 MET 1 HE3 MET 1 10.090 -1.185 -5.924 10 H ILE 2 H ILE 2 3.477 -1.927 -2.891 11 HA ILE 2 HA ILE 2 3.786 -4.675 -2.377 12 HB ILE 2 HB ILE 2 3.245 -3.122 -0.592 13 HG12 ILE 2 HG12 ILE 2 1.434 -4.404 0.501 14 HG13 ILE 2 HG13 ILE 2 1.045 -5.152 -1.044 15 HG21 ILE 2 HG21 ILE 2 1.651 -1.583 -0.748 16 HG22 ILE 2 HG22 ILE 2 1.347 -2.142 -2.392 17 HG23 ILE 2 HG23 ILE 2 0.422 -2.811 -1.048 18 HD11 ILE 2 HD11 ILE 2 2.585 -6.706 -0.734 19 HD12 ILE 2 HD12 ILE 2 3.830 -5.491 -0.448 20 HD13 ILE 2 HD13 ILE 2 2.834 -6.064 0.889 21 H SER 3 H SER 3 2.798 -6.399 -3.188 22 HA SER 3 HA SER 3 0.329 -5.989 -4.740 23 HB2 SER 3 HB2 SER 3 2.308 -8.263 -5.006 24 HB3 SER 3 HB3 SER 3 0.946 -7.913 -6.070 25 HG SER 3 HG SER 3 2.456 -6.885 -7.140 26 H ASP 4 H ASP 4 -0.911 -8.205 -4.917 27 HA ASP 4 HA ASP 4 -1.950 -8.755 -2.357 28 HB2 ASP 4 HB2 ASP 4 -2.339 -9.895 -5.090 29 HB3 ASP 4 HB3 ASP 4 -2.958 -10.797 -3.709 30 H GLU 5 H GLU 5 0.204 -10.616 -4.475 31 HA GLU 5 HA GLU 5 0.418 -12.868 -2.784 32 HB2 GLU 5 HB2 GLU 5 2.432 -13.411 -4.131 33 HB3 GLU 5 HB3 GLU 5 1.021 -13.041 -5.112 34 HG2 GLU 5 HG2 GLU 5 2.149 -10.599 -4.950 35 HG3 GLU 5 HG3 GLU 5 3.582 -11.622 -4.866 36 H GLN 6 H GLN 6 2.384 -9.944 -3.128 37 HA GLN 6 HA GLN 6 4.396 -10.697 -1.295 38 HB2 GLN 6 HB2 GLN 6 3.494 -7.913 -2.053 39 HB3 GLN 6 HB3 GLN 6 5.024 -8.335 -1.297 40 HG2 GLN 6 HG2 GLN 6 4.227 -9.468 -3.952 41 HG3 GLN 6 HG3 GLN 6 4.998 -7.889 -3.812 42 HE21 GLN 6 HE21 GLN 6 5.390 -11.321 -3.396 43 HE22 GLN 6 HE22 GLN 6 7.114 -11.315 -3.287 44 H LEU 7 H LEU 7 1.464 -8.727 -0.919 45 HA LEU 7 HA LEU 7 1.832 -8.102 1.796 46 HB2 LEU 7 HB2 LEU 7 0.184 -7.131 0.066 47 HB3 LEU 7 HB3 LEU 7 -0.867 -8.462 0.546 48 HG LEU 7 HG LEU 7 0.226 -6.598 2.615 49 HD11 LEU 7 HD11 LEU 7 -2.337 -5.705 1.995 50 HD12 LEU 7 HD12 LEU 7 -1.517 -5.856 0.442 51 HD13 LEU 7 HD13 LEU 7 -0.816 -4.857 1.715 52 HD21 LEU 7 HD21 LEU 7 -2.045 -8.515 2.344 53 HD22 LEU 7 HD22 LEU 7 -2.179 -7.164 3.469 54 HD23 LEU 7 HD23 LEU 7 -0.872 -8.336 3.649 55 H ASN 8 H ASN 8 -0.173 -10.630 0.282 56 HA ASN 8 HA ASN 8 -1.120 -11.818 2.607 57 HB2 ASN 8 HB2 ASN 8 -0.557 -12.938 -0.135 58 HB3 ASN 8 HB3 ASN 8 -1.252 -13.925 1.148 59 HD21 ASN 8 HD21 ASN 8 -2.394 -13.135 -1.401 60 HD22 ASN 8 HD22 ASN 8 -3.858 -12.293 -1.035 61 H SER 9 H SER 9 1.787 -12.631 0.724 62 HA SER 9 HA SER 9 2.677 -14.751 2.305 63 HB2 SER 9 HB2 SER 9 3.636 -14.290 0.111 64 HB3 SER 9 HB3 SER 9 4.297 -12.763 0.695 65 HG SER 9 HG SER 9 4.965 -15.150 2.012 66 H LEU 10 H LEU 10 3.369 -11.282 2.542 67 HA LEU 10 HA LEU 10 5.190 -11.450 4.683 68 HB2 LEU 10 HB2 LEU 10 3.669 -9.352 3.314 69 HB3 LEU 10 HB3 LEU 10 4.024 -9.002 5.005 70 HG LEU 10 HG LEU 10 6.447 -9.432 4.474 71 HD11 LEU 10 HD11 LEU 10 5.858 -10.694 2.342 72 HD12 LEU 10 HD12 LEU 10 7.199 -9.551 2.258 73 HD13 LEU 10 HD13 LEU 10 5.621 -9.108 1.606 74 HD21 LEU 10 HD21 LEU 10 6.160 -7.201 4.667 75 HD22 LEU 10 HD22 LEU 10 4.792 -7.169 3.554 76 HD23 LEU 10 HD23 LEU 10 6.440 -7.235 2.926 77 H ALA 11 H ALA 11 1.689 -11.296 4.560 78 HA ALA 11 HA ALA 11 1.257 -10.750 7.306 79 HB1 ALA 11 HB1 ALA 11 -0.463 -10.384 5.611 80 HB2 ALA 11 HB2 ALA 11 -0.563 -12.123 5.331 81 HB3 ALA 11 HB3 ALA 11 -1.041 -11.452 6.890 82 H ILE 12 H ILE 12 1.015 -13.801 5.471 83 HA ILE 12 HA ILE 12 0.555 -15.466 7.672 84 HB ILE 12 HB ILE 12 1.390 -17.313 6.219 85 HG12 ILE 12 HG12 ILE 12 1.974 -15.025 4.329 86 HG13 ILE 12 HG13 ILE 12 3.141 -16.148 5.017 87 HG21 ILE 12 HG21 ILE 12 -0.489 -17.318 4.869 88 HG22 ILE 12 HG22 ILE 12 -0.945 -16.190 6.144 89 HG23 ILE 12 HG23 ILE 12 -0.411 -15.581 4.577 90 HD11 ILE 12 HD11 ILE 12 2.866 -16.989 2.903 91 HD12 ILE 12 HD12 ILE 12 1.695 -17.946 3.812 92 HD13 ILE 12 HD13 ILE 12 1.153 -16.575 2.844 93 H THR 13 H THR 13 3.565 -14.396 6.169 94 HA THR 13 HA THR 13 5.324 -16.061 7.589 95 HB THR 13 HB THR 13 7.046 -14.281 7.097 96 HG1 THR 13 HG1 THR 13 6.427 -12.453 6.091 97 HG21 THR 13 HG21 THR 13 7.202 -15.682 5.350 98 HG22 THR 13 HG22 THR 13 6.293 -14.460 4.461 99 HG23 THR 13 HG23 THR 13 5.452 -15.824 5.196 100 H PHE 14 H PHE 14 4.528 -12.633 8.193 101 HA PHE 14 HA PHE 14 5.897 -12.404 10.614 102 HB2 PHE 14 HB2 PHE 14 5.015 -10.494 9.283 103 HB3 PHE 14 HB3 PHE 14 3.389 -10.921 9.804 104 HD1 PHE 14 HD1 PHE 14 2.530 -9.633 11.485 105 HD2 PHE 14 HD2 PHE 14 6.722 -10.364 11.396 106 HE1 PHE 14 HE1 PHE 14 2.811 -8.246 13.497 107 HE2 PHE 14 HE2 PHE 14 7.010 -8.979 13.409 108 HZ PHE 14 HZ PHE 14 5.053 -7.917 14.461 109 H GLY 15 H GLY 15 2.660 -13.570 9.902 110 HA2 GLY 15 HA2 GLY 15 1.730 -13.630 12.587 111 HA3 GLY 15 HA3 GLY 15 1.042 -14.516 11.234 112 H ILE 16 H ILE 16 3.047 -16.179 10.479 113 HA ILE 16 HA ILE 16 2.864 -18.272 12.326 114 HB ILE 16 HB ILE 16 4.850 -17.888 10.084 115 HG12 ILE 16 HG12 ILE 16 2.538 -19.776 9.990 116 HG13 ILE 16 HG13 ILE 16 2.224 -18.059 9.759 117 HG21 ILE 16 HG21 ILE 16 4.660 -20.555 10.363 118 HG22 ILE 16 HG22 ILE 16 5.906 -19.580 11.141 119 HG23 ILE 16 HG23 ILE 16 4.468 -20.057 12.044 120 HD11 ILE 16 HD11 ILE 16 4.374 -18.567 8.103 121 HD12 ILE 16 HD12 ILE 16 3.354 -19.997 7.940 122 HD13 ILE 16 HD13 ILE 16 2.686 -18.397 7.620 123 H VAL 17 H VAL 17 5.655 -16.196 11.545 124 HA VAL 17 HA VAL 17 7.407 -17.279 13.450 125 HB VAL 17 HB VAL 17 8.685 -15.172 13.223 126 HG11 VAL 17 HG11 VAL 17 8.061 -15.613 10.421 127 HG12 VAL 17 HG12 VAL 17 9.544 -15.947 11.316 128 HG13 VAL 17 HG13 VAL 17 8.227 -17.120 11.320 129 HG21 VAL 17 HG21 VAL 17 7.241 -13.411 13.001 130 HG22 VAL 17 HG22 VAL 17 7.676 -13.660 11.311 131 HG23 VAL 17 HG23 VAL 17 6.152 -14.294 11.932 132 H MET 18 H MET 18 5.064 -14.646 13.656 133 HA MET 18 HA MET 18 5.811 -13.697 16.201 134 HB2 MET 18 HB2 MET 18 4.392 -12.405 14.686 135 HB3 MET 18 HB3 MET 18 3.119 -13.610 14.826 136 HG2 MET 18 HG2 MET 18 2.397 -12.805 16.782 137 HG3 MET 18 HG3 MET 18 4.029 -12.518 17.382 138 HE1 MET 18 HE1 MET 18 1.264 -10.014 17.535 139 HE2 MET 18 HE2 MET 18 0.992 -9.742 15.814 140 HE3 MET 18 HE3 MET 18 0.920 -11.378 16.471 141 H MET 19 H MET 19 3.259 -15.981 15.223 142 HA MET 19 HA MET 19 2.276 -16.543 17.774 143 HB2 MET 19 HB2 MET 19 1.083 -17.219 15.773 144 HB3 MET 19 HB3 MET 19 2.391 -18.304 15.320 145 HG2 MET 19 HG2 MET 19 1.950 -19.603 17.390 146 HG3 MET 19 HG3 MET 19 0.550 -18.574 17.681 147 HE1 MET 19 HE1 MET 19 1.306 -22.162 16.007 148 HE2 MET 19 HE2 MET 19 0.856 -21.550 17.599 149 HE3 MET 19 HE3 MET 19 -0.367 -22.276 16.554 150 H THR 20 H THR 20 4.812 -18.184 15.903 151 HA THR 20 HA THR 20 5.375 -20.194 17.783 152 HB THR 20 HB THR 20 7.442 -19.007 15.939 153 HG1 THR 20 HG1 THR 20 5.560 -21.011 15.213 154 HG21 THR 20 HG21 THR 20 7.293 -21.314 17.636 155 HG22 THR 20 HG22 THR 20 8.645 -20.738 16.661 156 HG23 THR 20 HG23 THR 20 7.448 -21.825 15.956 157 H LEU 21 H LEU 21 6.654 -16.927 17.384 158 HA LEU 21 HA LEU 21 8.706 -17.137 19.317 159 HB2 LEU 21 HB2 LEU 21 7.420 -15.012 17.763 160 HB3 LEU 21 HB3 LEU 21 8.040 -14.489 19.327 161 HG LEU 21 HG LEU 21 9.669 -14.077 17.579 162 HD11 LEU 21 HD11 LEU 21 11.304 -16.077 18.623 163 HD12 LEU 21 HD12 LEU 21 10.130 -15.731 19.891 164 HD13 LEU 21 HD13 LEU 21 11.115 -14.430 19.223 165 HD21 LEU 21 HD21 LEU 21 10.756 -16.231 16.606 166 HD22 LEU 21 HD22 LEU 21 9.287 -15.585 15.874 167 HD23 LEU 21 HD23 LEU 21 9.194 -16.964 16.971 168 H ILE 22 H ILE 22 5.307 -16.266 19.502 169 HA ILE 22 HA ILE 22 5.365 -15.300 22.172 170 HB ILE 22 HB ILE 22 3.055 -16.415 20.577 171 HG12 ILE 22 HG12 ILE 22 3.403 -13.515 21.168 172 HG13 ILE 22 HG13 ILE 22 4.437 -14.226 19.934 173 HG21 ILE 22 HG21 ILE 22 1.811 -14.869 22.290 174 HG22 ILE 22 HG22 ILE 22 2.237 -16.525 22.717 175 HG23 ILE 22 HG23 ILE 22 3.233 -15.185 23.284 176 HD11 ILE 22 HD11 ILE 22 2.803 -14.042 18.464 177 HD12 ILE 22 HD12 ILE 22 1.780 -15.083 19.454 178 HD13 ILE 22 HD13 ILE 22 1.766 -13.338 19.704 179 H VAL 23 H VAL 23 4.389 -18.424 20.772 180 HA VAL 23 HA VAL 23 3.767 -19.678 23.215 181 HB VAL 23 HB VAL 23 2.992 -20.606 21.113 182 HG11 VAL 23 HG11 VAL 23 4.478 -21.666 19.525 183 HG12 VAL 23 HG12 VAL 23 4.959 -19.984 19.758 184 HG13 VAL 23 HG13 VAL 23 5.874 -21.279 20.531 185 HG21 VAL 23 HG21 VAL 23 4.887 -22.456 22.556 186 HG22 VAL 23 HG22 VAL 23 3.204 -22.141 22.978 187 HG23 VAL 23 HG23 VAL 23 3.595 -22.970 21.471 188 H ILE 24 H ILE 24 6.768 -19.418 21.385 189 HA ILE 24 HA ILE 24 8.239 -21.236 23.020 190 HB ILE 24 HB ILE 24 9.151 -19.111 21.082 191 HG12 ILE 24 HG12 ILE 24 9.337 -22.105 20.799 192 HG13 ILE 24 HG13 ILE 24 7.904 -21.214 20.297 193 HG21 ILE 24 HG21 ILE 24 11.356 -20.349 21.215 194 HG22 ILE 24 HG22 ILE 24 10.942 -19.339 22.599 195 HG23 ILE 24 HG23 ILE 24 10.742 -21.088 22.693 196 HD11 ILE 24 HD11 ILE 24 9.225 -19.935 18.722 197 HD12 ILE 24 HD12 ILE 24 10.689 -20.761 19.256 198 HD13 ILE 24 HD13 ILE 24 9.417 -21.664 18.435 199 H TYR 25 H TYR 25 7.730 -17.755 23.016 200 HA TYR 25 HA TYR 25 9.715 -17.113 24.927 201 HB2 TYR 25 HB2 TYR 25 7.395 -15.737 23.701 202 HB3 TYR 25 HB3 TYR 25 7.936 -15.112 25.255 203 HD1 TYR 25 HD1 TYR 25 8.939 -13.072 24.710 204 HD2 TYR 25 HD2 TYR 25 9.979 -16.556 22.500 205 HE1 TYR 25 HE1 TYR 25 10.729 -11.817 23.584 206 HE2 TYR 25 HE2 TYR 25 11.772 -15.311 21.368 207 HH TYR 25 HH TYR 25 12.850 -12.274 22.423 208 H HIS 26 H HIS 26 6.223 -17.699 25.221 209 HA HIS 26 HA HIS 26 6.161 -17.353 28.044 210 HB2 HIS 26 HB2 HIS 26 4.150 -17.070 26.685 211 HB3 HIS 26 HB3 HIS 26 4.217 -18.763 26.204 212 HD1 HIS 26 HD1 HIS 26 3.473 -20.523 27.948 213 HD2 HIS 26 HD2 HIS 26 3.132 -16.591 29.245 214 HE1 HIS 26 HE1 HIS 26 2.069 -20.621 30.032 215 H ALA 27 H ALA 27 6.455 -20.156 25.919 216 HA ALA 27 HA ALA 27 6.218 -22.154 27.879 217 HB1 ALA 27 HB1 ALA 27 6.032 -22.749 25.577 218 HB2 ALA 27 HB2 ALA 27 7.654 -22.148 25.232 219 HB3 ALA 27 HB3 ALA 27 7.440 -23.585 26.232 220 H VAL 28 H VAL 28 9.102 -20.567 26.530 221 HA VAL 28 HA VAL 28 10.934 -21.973 28.197 222 HB VAL 28 HB VAL 28 11.305 -19.382 26.687 223 HG11 VAL 28 HG11 VAL 28 13.036 -19.388 28.237 224 HG12 VAL 28 HG12 VAL 28 13.204 -21.144 28.191 225 HG13 VAL 28 HG13 VAL 28 13.760 -20.168 26.831 226 HG21 VAL 28 HG21 VAL 28 12.640 -21.745 25.659 227 HG22 VAL 28 HG22 VAL 28 10.886 -21.929 25.691 228 HG23 VAL 28 HG23 VAL 28 11.615 -20.575 24.827 229 H ASP 29 H ASP 29 9.247 -18.898 28.434 230 HA ASP 29 HA ASP 29 10.695 -17.912 30.670 231 HB2 ASP 29 HB2 ASP 29 9.513 -16.316 29.366 232 HB3 ASP 29 HB3 ASP 29 8.006 -17.218 29.496 233 H SER 30 H SER 30 7.810 -19.885 30.303 234 HA SER 30 HA SER 30 7.160 -19.825 33.105 235 HB2 SER 30 HB2 SER 30 6.083 -21.254 30.700 236 HB3 SER 30 HB3 SER 30 5.638 -21.814 32.312 237 HG SER 30 HG SER 30 5.180 -19.395 32.594 238 H THR 31 H THR 31 8.848 -21.989 30.911 239 HA THR 31 HA THR 31 9.116 -24.110 32.824 240 HB THR 31 HB THR 31 10.600 -23.635 30.231 241 HG1 THR 31 HG1 THR 31 8.860 -24.434 29.345 242 HG21 THR 31 HG21 THR 31 10.725 -26.286 30.591 243 HG22 THR 31 HG22 THR 31 10.734 -25.773 32.278 244 HG23 THR 31 HG23 THR 31 11.974 -25.185 31.171 245 H MET 32 H MET 32 11.081 -21.393 31.764 246 HA MET 32 HA MET 32 13.527 -22.102 32.883 247 HB2 MET 32 HB2 MET 32 13.334 -20.197 31.410 248 HB3 MET 32 HB3 MET 32 12.272 -19.374 32.546 249 HG2 MET 32 HG2 MET 32 14.143 -19.318 34.171 250 HG3 MET 32 HG3 MET 32 15.187 -20.004 32.928 251 HE1 MET 32 HE1 MET 32 16.700 -17.975 33.632 252 HE2 MET 32 HE2 MET 32 16.888 -18.270 31.903 253 HE3 MET 32 HE3 MET 32 16.740 -16.618 32.506 254 H SER 33 H SER 33 10.772 -20.422 34.349 255 HA SER 33 HA SER 33 11.658 -21.281 36.976 256 HB2 SER 33 HB2 SER 33 11.686 -18.439 36.072 257 HB3 SER 33 HB3 SER 33 11.148 -18.776 37.717 258 HG SER 33 HG SER 33 13.237 -18.713 38.067 259 HA PRO 34 HA PRO 34 7.364 -21.581 37.818 260 HB2 PRO 34 HB2 PRO 34 7.233 -20.907 40.445 261 HB3 PRO 34 HB3 PRO 34 7.924 -22.432 39.878 262 HG2 PRO 34 HG2 PRO 34 9.314 -19.908 40.689 263 HG3 PRO 34 HG3 PRO 34 9.731 -21.588 41.074 264 HD2 PRO 34 HD2 PRO 34 10.988 -20.185 39.129 265 HD3 PRO 34 HD3 PRO 34 10.737 -21.939 39.030 266 H LYS 35 H LYS 35 5.462 -20.408 37.986 267 HA LYS 35 HA LYS 35 5.462 -17.751 37.191 268 HB2 LYS 35 HB2 LYS 35 3.536 -19.726 37.703 269 HB3 LYS 35 HB3 LYS 35 3.086 -18.363 38.719 270 HG2 LYS 35 HG2 LYS 35 2.703 -16.974 36.922 271 HG3 LYS 35 HG3 LYS 35 3.747 -17.907 35.846 272 HD2 LYS 35 HD2 LYS 35 1.993 -19.789 36.192 273 HD3 LYS 35 HD3 LYS 35 0.943 -18.477 36.731 274 HE2 LYS 35 HE2 LYS 35 0.446 -18.550 34.488 275 HE3 LYS 35 HE3 LYS 35 1.725 -17.337 34.512 276 HZ1 LYS 35 HZ1 LYS 35 3.259 -18.823 33.645 277 HZ2 LYS 35 HZ2 LYS 35 1.852 -19.198 32.784 278 HZ3 LYS 35 HZ3 LYS 35 2.349 -20.187 34.063 279 H ASN 36 H ASN 36 6.109 -16.000 38.241 280 HA ASN 36 HA ASN 36 6.613 -15.927 41.019 281 HB2 ASN 36 HB2 ASN 36 7.626 -14.488 39.113 282 HB3 ASN 36 HB3 ASN 36 6.221 -13.454 39.354 283 HD21 ASN 36 HD21 ASN 36 6.422 -11.887 40.776 284 HD22 ASN 36 HD22 ASN 36 7.589 -11.812 42.048 285 H ARG 37 H ARG 37 5.111 -15.937 42.549 286 HA ARG 37 HA ARG 37 2.819 -14.128 42.283 287 HB2 ARG 37 HB2 ARG 37 1.242 -15.765 42.964 288 HB3 ARG 37 HB3 ARG 37 2.184 -16.500 41.674 289 HG2 ARG 37 HG2 ARG 37 3.586 -17.577 43.471 290 HG3 ARG 37 HG3 ARG 37 2.371 -17.022 44.625 291 HD2 ARG 37 HD2 ARG 37 1.965 -18.896 42.300 292 HD3 ARG 37 HD3 ARG 37 1.876 -19.291 44.016 293 HE ARG 37 HE ARG 37 -0.164 -18.041 42.410 294 HH11 ARG 37 HH11 ARG 37 1.052 -18.570 45.629 295 HH12 ARG 37 HH12 ARG 37 -0.477 -18.286 46.394 296 HH21 ARG 37 HH21 ARG 37 -2.182 -17.665 43.405 297 HH22 ARG 37 HH22 ARG 37 -2.315 -17.772 45.128 298 H LEU 38 H LEU 38 2.180 -13.149 44.157 299 HA LEU 38 HA LEU 38 2.818 -14.049 46.754 300 HB2 LEU 38 HB2 LEU 38 4.500 -12.426 47.388 301 HB3 LEU 38 HB3 LEU 38 5.087 -13.453 46.082 302 HG LEU 38 HG LEU 38 3.909 -10.796 45.410 303 HD11 LEU 38 HD11 LEU 38 6.802 -10.788 45.847 304 HD12 LEU 38 HD12 LEU 38 5.844 -10.905 47.323 305 HD13 LEU 38 HD13 LEU 38 5.592 -9.558 46.212 306 HD21 LEU 38 HD21 LEU 38 6.144 -11.201 43.903 307 HD22 LEU 38 HD22 LEU 38 4.507 -11.659 43.430 308 HD23 LEU 38 HD23 LEU 38 5.581 -12.852 44.164 309 H GLU 39 H GLU 39 1.848 -12.802 48.351 310 HA GLU 39 HA GLU 39 -0.277 -11.126 47.491 311 HB2 GLU 39 HB2 GLU 39 0.785 -12.042 50.123 312 HB3 GLU 39 HB3 GLU 39 -0.299 -10.659 50.103 313 HG2 GLU 39 HG2 GLU 39 -0.933 -13.341 48.898 314 HG3 GLU 39 HG3 GLU 39 -1.437 -12.815 50.503 Start of MODEL 15 1 H1 MET 1 H MET 1 4.305 -1.504 -1.973 2 HA MET 1 HA MET 1 4.980 -1.186 -4.821 3 HB2 MET 1 HB2 MET 1 6.713 -2.073 -2.509 4 HB3 MET 1 HB3 MET 1 7.231 -2.026 -4.188 5 HG2 MET 1 HG2 MET 1 6.900 0.383 -4.237 6 HG3 MET 1 HG3 MET 1 6.345 0.348 -2.566 7 HE1 MET 1 HE1 MET 1 8.514 0.403 -0.372 8 HE2 MET 1 HE2 MET 1 7.633 -1.034 -0.892 9 HE3 MET 1 HE3 MET 1 9.390 -1.083 -0.744 10 H ILE 2 H ILE 2 4.545 -3.541 -2.224 11 HA ILE 2 HA ILE 2 4.829 -5.772 -4.058 12 HB ILE 2 HB ILE 2 4.345 -7.176 -2.071 13 HG12 ILE 2 HG12 ILE 2 4.522 -4.695 -0.390 14 HG13 ILE 2 HG13 ILE 2 2.966 -5.231 -1.013 15 HG21 ILE 2 HG21 ILE 2 6.410 -5.676 -0.827 16 HG22 ILE 2 HG22 ILE 2 6.546 -7.138 -1.802 17 HG23 ILE 2 HG23 ILE 2 6.616 -5.554 -2.574 18 HD11 ILE 2 HD11 ILE 2 3.538 -7.486 0.050 19 HD12 ILE 2 HD12 ILE 2 4.779 -6.596 0.933 20 HD13 ILE 2 HD13 ILE 2 3.081 -6.155 1.112 21 H SER 3 H SER 3 3.157 -7.443 -4.203 22 HA SER 3 HA SER 3 0.606 -6.273 -4.796 23 HB2 SER 3 HB2 SER 3 1.731 -8.142 -6.107 24 HB3 SER 3 HB3 SER 3 1.270 -9.220 -4.789 25 HG SER 3 HG SER 3 -0.417 -9.365 -6.126 26 H ASP 4 H ASP 4 -1.425 -7.499 -4.083 27 HA ASP 4 HA ASP 4 -1.701 -7.221 -1.293 28 HB2 ASP 4 HB2 ASP 4 -3.440 -8.269 -3.490 29 HB3 ASP 4 HB3 ASP 4 -3.915 -8.549 -1.817 30 H GLU 5 H GLU 5 -1.487 -10.099 -3.361 31 HA GLU 5 HA GLU 5 -1.863 -12.045 -1.413 32 HB2 GLU 5 HB2 GLU 5 -0.551 -13.536 -2.929 33 HB3 GLU 5 HB3 GLU 5 -1.846 -12.658 -3.731 34 HG2 GLU 5 HG2 GLU 5 -0.080 -10.965 -4.402 35 HG3 GLU 5 HG3 GLU 5 1.107 -12.157 -3.875 36 H GLN 6 H GLN 6 1.129 -10.453 -2.456 37 HA GLN 6 HA GLN 6 2.857 -11.926 -0.775 38 HB2 GLN 6 HB2 GLN 6 3.284 -9.118 -1.803 39 HB3 GLN 6 HB3 GLN 6 4.521 -10.258 -1.293 40 HG2 GLN 6 HG2 GLN 6 3.721 -11.755 -3.169 41 HG3 GLN 6 HG3 GLN 6 2.795 -10.369 -3.744 42 HE21 GLN 6 HE21 GLN 6 6.005 -11.611 -3.126 43 HE22 GLN 6 HE22 GLN 6 6.841 -10.506 -4.157 44 H LEU 7 H LEU 7 1.139 -8.866 -0.355 45 HA LEU 7 HA LEU 7 2.303 -8.138 2.103 46 HB2 LEU 7 HB2 LEU 7 0.817 -6.786 0.469 47 HB3 LEU 7 HB3 LEU 7 -0.525 -7.471 1.382 48 HG LEU 7 HG LEU 7 1.677 -5.938 2.732 49 HD11 LEU 7 HD11 LEU 7 1.018 -4.193 1.461 50 HD12 LEU 7 HD12 LEU 7 -0.307 -4.138 2.623 51 HD13 LEU 7 HD13 LEU 7 -0.536 -4.926 1.062 52 HD21 LEU 7 HD21 LEU 7 -0.324 -5.477 4.276 53 HD22 LEU 7 HD22 LEU 7 0.401 -7.084 4.311 54 HD23 LEU 7 HD23 LEU 7 -1.104 -6.814 3.431 55 H ASN 8 H ASN 8 -0.809 -9.737 1.418 56 HA ASN 8 HA ASN 8 -1.574 -10.162 4.068 57 HB2 ASN 8 HB2 ASN 8 -2.966 -10.466 1.948 58 HB3 ASN 8 HB3 ASN 8 -2.218 -12.054 1.809 59 HD21 ASN 8 HD21 ASN 8 -2.613 -13.603 3.447 60 HD22 ASN 8 HD22 ASN 8 -4.027 -13.503 4.435 61 H SER 9 H SER 9 0.168 -12.324 1.845 62 HA SER 9 HA SER 9 0.453 -14.507 3.541 63 HB2 SER 9 HB2 SER 9 2.238 -15.233 2.101 64 HB3 SER 9 HB3 SER 9 1.034 -14.430 1.093 65 HG SER 9 HG SER 9 3.349 -13.853 0.792 66 H LEU 10 H LEU 10 2.639 -11.739 3.091 67 HA LEU 10 HA LEU 10 4.581 -12.555 4.953 68 HB2 LEU 10 HB2 LEU 10 3.847 -10.009 3.619 69 HB3 LEU 10 HB3 LEU 10 4.881 -9.912 5.043 70 HG LEU 10 HG LEU 10 5.589 -11.703 2.744 71 HD11 LEU 10 HD11 LEU 10 5.755 -9.918 1.420 72 HD12 LEU 10 HD12 LEU 10 7.126 -9.447 2.424 73 HD13 LEU 10 HD13 LEU 10 5.522 -8.794 2.759 74 HD21 LEU 10 HD21 LEU 10 7.775 -11.577 3.615 75 HD22 LEU 10 HD22 LEU 10 6.722 -11.811 5.010 76 HD23 LEU 10 HD23 LEU 10 7.369 -10.209 4.651 77 H ALA 11 H ALA 11 1.591 -10.746 5.306 78 HA ALA 11 HA ALA 11 1.994 -9.806 7.927 79 HB1 ALA 11 HB1 ALA 11 -0.624 -10.495 6.599 80 HB2 ALA 11 HB2 ALA 11 -0.395 -9.435 7.991 81 HB3 ALA 11 HB3 ALA 11 0.239 -8.968 6.413 82 H ILE 12 H ILE 12 0.162 -12.648 6.787 83 HA ILE 12 HA ILE 12 -0.390 -13.666 9.354 84 HB ILE 12 HB ILE 12 -0.861 -15.812 8.195 85 HG12 ILE 12 HG12 ILE 12 0.084 -14.295 5.753 86 HG13 ILE 12 HG13 ILE 12 0.876 -15.691 6.476 87 HG21 ILE 12 HG21 ILE 12 -2.455 -13.832 8.342 88 HG22 ILE 12 HG22 ILE 12 -2.058 -13.532 6.651 89 HG23 ILE 12 HG23 ILE 12 -2.810 -15.056 7.123 90 HD11 ILE 12 HD11 ILE 12 -0.252 -16.621 4.702 91 HD12 ILE 12 HD12 ILE 12 -1.386 -16.876 6.030 92 HD13 ILE 12 HD13 ILE 12 -1.644 -15.555 4.890 93 H THR 13 H THR 13 2.320 -14.099 7.168 94 HA THR 13 HA THR 13 3.518 -16.306 8.445 95 HB THR 13 HB THR 13 4.811 -14.100 6.831 96 HG1 THR 13 HG1 THR 13 4.012 -15.160 5.193 97 HG21 THR 13 HG21 THR 13 6.639 -15.731 6.490 98 HG22 THR 13 HG22 THR 13 5.869 -16.805 7.658 99 HG23 THR 13 HG23 THR 13 6.481 -15.234 8.174 100 H PHE 14 H PHE 14 4.475 -12.869 8.607 101 HA PHE 14 HA PHE 14 6.282 -13.184 10.726 102 HB2 PHE 14 HB2 PHE 14 4.866 -10.869 9.486 103 HB3 PHE 14 HB3 PHE 14 5.660 -10.622 11.038 104 HD1 PHE 14 HD1 PHE 14 7.927 -10.155 11.120 105 HD2 PHE 14 HD2 PHE 14 6.282 -11.898 7.603 106 HE1 PHE 14 HE1 PHE 14 10.082 -9.858 9.970 107 HE2 PHE 14 HE2 PHE 14 8.434 -11.605 6.447 108 HZ PHE 14 HZ PHE 14 10.337 -10.583 7.630 109 H GLY 15 H GLY 15 2.822 -12.559 10.680 110 HA2 GLY 15 HA2 GLY 15 2.508 -11.865 13.392 111 HA3 GLY 15 HA3 GLY 15 1.251 -12.519 12.353 112 H ILE 16 H ILE 16 1.976 -15.008 11.793 113 HA ILE 16 HA ILE 16 1.417 -16.428 14.152 114 HB ILE 16 HB ILE 16 2.552 -17.471 11.555 115 HG12 ILE 16 HG12 ILE 16 -0.313 -17.671 12.431 116 HG13 ILE 16 HG13 ILE 16 0.270 -16.212 11.639 117 HG21 ILE 16 HG21 ILE 16 2.887 -19.294 12.850 118 HG22 ILE 16 HG22 ILE 16 1.709 -18.786 14.060 119 HG23 ILE 16 HG23 ILE 16 1.164 -19.533 12.559 120 HD11 ILE 16 HD11 ILE 16 -0.536 -17.395 9.859 121 HD12 ILE 16 HD12 ILE 16 1.153 -17.903 9.853 122 HD13 ILE 16 HD13 ILE 16 -0.081 -18.954 10.547 123 H VAL 17 H VAL 17 4.432 -16.192 12.271 124 HA VAL 17 HA VAL 17 6.033 -17.798 13.878 125 HB VAL 17 HB VAL 17 6.863 -15.343 12.323 126 HG11 VAL 17 HG11 VAL 17 8.969 -17.112 12.316 127 HG12 VAL 17 HG12 VAL 17 8.838 -15.665 13.319 128 HG13 VAL 17 HG13 VAL 17 8.352 -17.234 13.963 129 HG21 VAL 17 HG21 VAL 17 6.655 -16.535 10.455 130 HG22 VAL 17 HG22 VAL 17 7.529 -17.899 11.153 131 HG23 VAL 17 HG23 VAL 17 5.790 -17.744 11.404 132 H MET 18 H MET 18 5.624 -14.259 14.017 133 HA MET 18 HA MET 18 7.288 -13.779 16.198 134 HB2 MET 18 HB2 MET 18 6.244 -12.063 14.672 135 HB3 MET 18 HB3 MET 18 4.750 -12.264 15.579 136 HG2 MET 18 HG2 MET 18 5.548 -10.531 16.755 137 HG3 MET 18 HG3 MET 18 6.450 -11.787 17.599 138 HE1 MET 18 HE1 MET 18 8.178 -8.164 15.886 139 HE2 MET 18 HE2 MET 18 6.748 -8.733 15.025 140 HE3 MET 18 HE3 MET 18 6.695 -8.518 16.775 141 H MET 19 H MET 19 3.776 -14.364 16.148 142 HA MET 19 HA MET 19 3.283 -14.157 18.869 143 HB2 MET 19 HB2 MET 19 1.508 -14.338 17.190 144 HB3 MET 19 HB3 MET 19 1.965 -16.006 16.874 145 HG2 MET 19 HG2 MET 19 1.435 -16.506 19.270 146 HG3 MET 19 HG3 MET 19 0.772 -14.878 19.389 147 HE1 MET 19 HE1 MET 19 -0.774 -14.282 16.812 148 HE2 MET 19 HE2 MET 19 -2.361 -14.953 17.186 149 HE3 MET 19 HE3 MET 19 -1.448 -14.102 18.432 150 H THR 20 H THR 20 4.190 -17.036 16.993 151 HA THR 20 HA THR 20 4.133 -18.895 19.069 152 HB THR 20 HB THR 20 6.095 -18.941 16.773 153 HG1 THR 20 HG1 THR 20 3.323 -19.319 16.860 154 HG21 THR 20 HG21 THR 20 6.618 -20.983 17.493 155 HG22 THR 20 HG22 THR 20 4.921 -21.462 17.453 156 HG23 THR 20 HG23 THR 20 5.595 -20.721 18.904 157 H LEU 21 H LEU 21 6.965 -17.142 17.786 158 HA LEU 21 HA LEU 21 8.863 -18.044 19.571 159 HB2 LEU 21 HB2 LEU 21 8.961 -16.388 17.516 160 HB3 LEU 21 HB3 LEU 21 8.906 -15.172 18.791 161 HG LEU 21 HG LEU 21 11.195 -15.625 18.067 162 HD11 LEU 21 HD11 LEU 21 10.370 -15.270 20.573 163 HD12 LEU 21 HD12 LEU 21 12.069 -15.487 20.154 164 HD13 LEU 21 HD13 LEU 21 11.130 -16.851 20.761 165 HD21 LEU 21 HD21 LEU 21 11.129 -18.339 19.278 166 HD22 LEU 21 HD22 LEU 21 12.175 -17.686 18.017 167 HD23 LEU 21 HD23 LEU 21 10.513 -18.140 17.637 168 H ILE 22 H ILE 22 6.583 -15.366 19.950 169 HA ILE 22 HA ILE 22 7.576 -14.425 22.417 170 HB ILE 22 HB ILE 22 4.779 -14.229 21.295 171 HG12 ILE 22 HG12 ILE 22 6.751 -11.983 21.327 172 HG13 ILE 22 HG13 ILE 22 6.911 -13.228 20.093 173 HG21 ILE 22 HG21 ILE 22 5.092 -12.055 22.879 174 HG22 ILE 22 HG22 ILE 22 4.306 -13.550 23.384 175 HG23 ILE 22 HG23 ILE 22 5.999 -13.265 23.786 176 HD11 ILE 22 HD11 ILE 22 5.628 -11.265 19.346 177 HD12 ILE 22 HD12 ILE 22 4.698 -12.762 19.278 178 HD13 ILE 22 HD13 ILE 22 4.423 -11.611 20.585 179 H VAL 23 H VAL 23 5.120 -16.829 21.598 180 HA VAL 23 HA VAL 23 4.252 -17.277 24.268 181 HB VAL 23 HB VAL 23 4.043 -19.089 21.858 182 HG11 VAL 23 HG11 VAL 23 3.700 -20.446 23.751 183 HG12 VAL 23 HG12 VAL 23 2.776 -19.193 24.583 184 HG13 VAL 23 HG13 VAL 23 2.086 -20.019 23.185 185 HG21 VAL 23 HG21 VAL 23 1.638 -17.735 22.795 186 HG22 VAL 23 HG22 VAL 23 2.885 -16.624 22.230 187 HG23 VAL 23 HG23 VAL 23 2.285 -17.893 21.162 188 H ILE 24 H ILE 24 6.615 -18.863 22.165 189 HA ILE 24 HA ILE 24 7.242 -20.967 23.962 190 HB ILE 24 HB ILE 24 8.894 -19.804 21.717 191 HG12 ILE 24 HG12 ILE 24 6.698 -20.718 21.026 192 HG13 ILE 24 HG13 ILE 24 8.043 -21.661 20.394 193 HG21 ILE 24 HG21 ILE 24 10.545 -21.067 22.513 194 HG22 ILE 24 HG22 ILE 24 9.486 -21.818 23.705 195 HG23 ILE 24 HG23 ILE 24 9.574 -22.472 22.070 196 HD11 ILE 24 HD11 ILE 24 5.831 -22.584 21.820 197 HD12 ILE 24 HD12 ILE 24 7.265 -23.497 21.347 198 HD13 ILE 24 HD13 ILE 24 7.200 -22.712 22.925 199 H TYR 25 H TYR 25 8.866 -17.890 23.219 200 HA TYR 25 HA TYR 25 10.982 -18.199 25.045 201 HB2 TYR 25 HB2 TYR 25 10.903 -16.534 23.178 202 HB3 TYR 25 HB3 TYR 25 9.749 -15.597 24.120 203 HD1 TYR 25 HD1 TYR 25 10.709 -13.706 25.013 204 HD2 TYR 25 HD2 TYR 25 12.999 -17.290 24.889 205 HE1 TYR 25 HE1 TYR 25 12.564 -12.552 26.142 206 HE2 TYR 25 HE2 TYR 25 14.860 -16.146 26.018 207 HH TYR 25 HH TYR 25 15.645 -13.665 26.222 208 H HIS 26 H HIS 26 7.840 -16.577 25.360 209 HA HIS 26 HA HIS 26 8.241 -15.666 28.006 210 HB2 HIS 26 HB2 HIS 26 6.525 -14.719 26.523 211 HB3 HIS 26 HB3 HIS 26 5.651 -16.248 26.554 212 HD1 HIS 26 HD1 HIS 26 4.535 -16.906 28.864 213 HD2 HIS 26 HD2 HIS 26 6.029 -13.035 28.642 214 HE1 HIS 26 HE1 HIS 26 3.504 -15.675 30.799 215 H ALA 27 H ALA 27 6.936 -18.643 26.663 216 HA ALA 27 HA ALA 27 5.863 -19.704 29.040 217 HB1 ALA 27 HB1 ALA 27 6.810 -20.955 26.482 218 HB2 ALA 27 HB2 ALA 27 6.202 -21.928 27.822 219 HB3 ALA 27 HB3 ALA 27 5.158 -20.728 27.059 220 H VAL 28 H VAL 28 8.947 -20.494 27.419 221 HA VAL 28 HA VAL 28 9.964 -22.075 29.507 222 HB VAL 28 HB VAL 28 12.172 -21.758 28.446 223 HG11 VAL 28 HG11 VAL 28 10.653 -23.453 27.584 224 HG12 VAL 28 HG12 VAL 28 9.916 -22.264 26.507 225 HG13 VAL 28 HG13 VAL 28 11.598 -22.743 26.276 226 HG21 VAL 28 HG21 VAL 28 10.691 -19.608 26.996 227 HG22 VAL 28 HG22 VAL 28 12.306 -19.577 27.705 228 HG23 VAL 28 HG23 VAL 28 12.022 -20.445 26.196 229 H ASP 29 H ASP 29 10.137 -18.623 28.875 230 HA ASP 29 HA ASP 29 12.092 -18.031 30.848 231 HB2 ASP 29 HB2 ASP 29 11.744 -16.436 29.102 232 HB3 ASP 29 HB3 ASP 29 10.023 -16.327 29.459 233 H SER 30 H SER 30 8.570 -18.156 30.860 234 HA SER 30 HA SER 30 8.225 -17.045 33.447 235 HB2 SER 30 HB2 SER 30 6.308 -16.999 32.084 236 HB3 SER 30 HB3 SER 30 6.474 -18.697 31.638 237 HG SER 30 HG SER 30 5.051 -18.953 33.174 238 H THR 31 H THR 31 8.232 -20.404 32.273 239 HA THR 31 HA THR 31 7.839 -21.640 34.756 240 HB THR 31 HB THR 31 7.586 -22.869 32.663 241 HG1 THR 31 HG1 THR 31 8.920 -24.734 33.316 242 HG21 THR 31 HG21 THR 31 9.430 -21.823 31.418 243 HG22 THR 31 HG22 THR 31 9.525 -23.584 31.366 244 HG23 THR 31 HG23 THR 31 10.591 -22.673 32.435 245 H MET 32 H MET 32 10.752 -20.479 33.171 246 HA MET 32 HA MET 32 12.443 -21.574 35.274 247 HB2 MET 32 HB2 MET 32 14.295 -20.979 33.933 248 HB3 MET 32 HB3 MET 32 13.078 -21.574 32.811 249 HG2 MET 32 HG2 MET 32 12.424 -19.142 32.477 250 HG3 MET 32 HG3 MET 32 13.923 -18.743 33.312 251 HE1 MET 32 HE1 MET 32 16.699 -19.584 31.409 252 HE2 MET 32 HE2 MET 32 16.025 -18.014 30.972 253 HE3 MET 32 HE3 MET 32 15.875 -18.609 32.626 254 H SER 33 H SER 33 10.434 -19.192 35.393 255 HA SER 33 HA SER 33 12.304 -17.254 36.589 256 HB2 SER 33 HB2 SER 33 9.762 -16.931 35.069 257 HB3 SER 33 HB3 SER 33 10.092 -15.777 36.361 258 HG SER 33 HG SER 33 11.121 -14.861 34.723 259 HA PRO 34 HA PRO 34 10.564 -17.819 40.575 260 HB2 PRO 34 HB2 PRO 34 10.493 -15.286 41.549 261 HB3 PRO 34 HB3 PRO 34 11.997 -16.188 41.328 262 HG2 PRO 34 HG2 PRO 34 10.761 -14.106 39.568 263 HG3 PRO 34 HG3 PRO 34 12.458 -14.309 40.039 264 HD2 PRO 34 HD2 PRO 34 11.506 -15.120 37.638 265 HD3 PRO 34 HD3 PRO 34 12.826 -15.962 38.476 266 H LYS 35 H LYS 35 9.083 -15.150 38.758 267 HA LYS 35 HA LYS 35 6.743 -14.867 40.227 268 HB2 LYS 35 HB2 LYS 35 7.456 -14.370 37.361 269 HB3 LYS 35 HB3 LYS 35 5.784 -14.200 37.878 270 HG2 LYS 35 HG2 LYS 35 6.688 -12.049 38.016 271 HG3 LYS 35 HG3 LYS 35 6.660 -12.638 39.680 272 HD2 LYS 35 HD2 LYS 35 8.983 -13.029 39.688 273 HD3 LYS 35 HD3 LYS 35 9.092 -12.903 37.931 274 HE2 LYS 35 HE2 LYS 35 8.278 -10.485 38.268 275 HE3 LYS 35 HE3 LYS 35 8.715 -10.724 39.959 276 HZ1 LYS 35 HZ1 LYS 35 10.544 -11.006 37.636 277 HZ2 LYS 35 HZ2 LYS 35 10.969 -11.266 39.252 278 HZ3 LYS 35 HZ3 LYS 35 10.525 -9.718 38.733 279 H ASN 36 H ASN 36 5.557 -16.577 40.843 280 HA ASN 36 HA ASN 36 5.216 -18.953 39.392 281 HB2 ASN 36 HB2 ASN 36 3.571 -19.549 41.021 282 HB3 ASN 36 HB3 ASN 36 4.807 -18.618 41.862 283 HD21 ASN 36 HD21 ASN 36 1.798 -19.130 42.166 284 HD22 ASN 36 HD22 ASN 36 1.155 -17.553 42.459 285 H ARG 37 H ARG 37 3.289 -19.793 38.385 286 HA ARG 37 HA ARG 37 1.620 -17.697 37.157 287 HB2 ARG 37 HB2 ARG 37 1.511 -19.119 35.135 288 HB3 ARG 37 HB3 ARG 37 3.146 -18.581 35.497 289 HG2 ARG 37 HG2 ARG 37 3.787 -20.710 36.268 290 HG3 ARG 37 HG3 ARG 37 2.115 -21.267 36.351 291 HD2 ARG 37 HD2 ARG 37 1.933 -21.425 34.023 292 HD3 ARG 37 HD3 ARG 37 3.348 -20.409 33.755 293 HE ARG 37 HE ARG 37 4.108 -22.743 35.137 294 HH11 ARG 37 HH11 ARG 37 3.044 -21.683 31.996 295 HH12 ARG 37 HH12 ARG 37 3.863 -22.952 31.147 296 HH21 ARG 37 HH21 ARG 37 5.190 -24.418 34.030 297 HH22 ARG 37 HH22 ARG 37 5.082 -24.508 32.305 298 H LEU 38 H LEU 38 0.983 -19.076 39.557 299 HA LEU 38 HA LEU 38 -1.266 -20.758 38.666 300 HB2 LEU 38 HB2 LEU 38 0.483 -20.893 41.091 301 HB3 LEU 38 HB3 LEU 38 -1.143 -21.572 41.122 302 HG LEU 38 HG LEU 38 0.919 -22.397 39.091 303 HD11 LEU 38 HD11 LEU 38 0.351 -24.193 41.349 304 HD12 LEU 38 HD12 LEU 38 1.310 -22.764 41.736 305 HD13 LEU 38 HD13 LEU 38 1.860 -23.884 40.490 306 HD21 LEU 38 HD21 LEU 38 -1.330 -24.078 40.092 307 HD22 LEU 38 HD22 LEU 38 -0.527 -24.086 38.521 308 HD23 LEU 38 HD23 LEU 38 -1.667 -22.800 38.924 309 H GLU 39 H GLU 39 -3.214 -20.647 40.004 310 HA GLU 39 HA GLU 39 -3.574 -17.961 41.162 311 HB2 GLU 39 HB2 GLU 39 -5.604 -19.704 39.752 312 HB3 GLU 39 HB3 GLU 39 -5.949 -18.149 40.496 313 HG2 GLU 39 HG2 GLU 39 -3.825 -18.321 38.418 314 HG3 GLU 39 HG3 GLU 39 -5.518 -18.341 37.929 Start of MODEL 16 1 H1 MET 1 H MET 1 3.649 -1.938 -4.296 2 HA MET 1 HA MET 1 4.306 -2.463 -7.121 3 HB2 MET 1 HB2 MET 1 6.065 -2.363 -4.700 4 HB3 MET 1 HB3 MET 1 6.492 -3.421 -6.037 5 HG2 MET 1 HG2 MET 1 7.660 -1.507 -6.537 6 HG3 MET 1 HG3 MET 1 6.192 -1.307 -7.491 7 HE1 MET 1 HE1 MET 1 7.720 0.552 -3.806 8 HE2 MET 1 HE2 MET 1 8.537 -0.285 -5.125 9 HE3 MET 1 HE3 MET 1 8.265 1.455 -5.219 10 H ILE 2 H ILE 2 4.376 -3.980 -3.892 11 HA ILE 2 HA ILE 2 4.382 -6.633 -4.820 12 HB ILE 2 HB ILE 2 4.956 -5.901 -2.491 13 HG12 ILE 2 HG12 ILE 2 2.850 -7.984 -2.198 14 HG13 ILE 2 HG13 ILE 2 4.133 -8.291 -3.363 15 HG21 ILE 2 HG21 ILE 2 1.959 -5.805 -2.161 16 HG22 ILE 2 HG22 ILE 2 3.151 -5.644 -0.872 17 HG23 ILE 2 HG23 ILE 2 3.046 -4.416 -2.133 18 HD11 ILE 2 HD11 ILE 2 4.194 -8.778 -0.636 19 HD12 ILE 2 HD12 ILE 2 5.556 -8.828 -1.756 20 HD13 ILE 2 HD13 ILE 2 5.204 -7.350 -0.859 21 H SER 3 H SER 3 2.697 -8.208 -4.793 22 HA SER 3 HA SER 3 0.134 -7.095 -5.636 23 HB2 SER 3 HB2 SER 3 1.507 -8.940 -6.882 24 HB3 SER 3 HB3 SER 3 0.787 -10.024 -5.692 25 HG SER 3 HG SER 3 -0.591 -9.978 -7.415 26 H ASP 4 H ASP 4 -1.771 -8.714 -5.052 27 HA ASP 4 HA ASP 4 -2.175 -8.443 -2.257 28 HB2 ASP 4 HB2 ASP 4 -3.948 -8.417 -4.094 29 HB3 ASP 4 HB3 ASP 4 -3.822 -10.174 -4.098 30 H GLU 5 H GLU 5 -1.500 -11.217 -4.353 31 HA GLU 5 HA GLU 5 -1.708 -13.193 -2.349 32 HB2 GLU 5 HB2 GLU 5 -0.407 -14.609 -3.931 33 HB3 GLU 5 HB3 GLU 5 -1.800 -13.829 -4.667 34 HG2 GLU 5 HG2 GLU 5 0.093 -12.000 -5.207 35 HG3 GLU 5 HG3 GLU 5 1.074 -13.465 -5.188 36 H GLN 6 H GLN 6 1.073 -11.404 -3.634 37 HA GLN 6 HA GLN 6 3.008 -12.696 -2.021 38 HB2 GLN 6 HB2 GLN 6 3.054 -10.012 -3.406 39 HB3 GLN 6 HB3 GLN 6 4.450 -10.742 -2.625 40 HG2 GLN 6 HG2 GLN 6 3.025 -12.361 -4.652 41 HG3 GLN 6 HG3 GLN 6 3.970 -10.985 -5.221 42 HE21 GLN 6 HE21 GLN 6 5.654 -11.990 -6.145 43 HE22 GLN 6 HE22 GLN 6 6.745 -13.044 -5.318 44 H LEU 7 H LEU 7 1.529 -9.463 -1.743 45 HA LEU 7 HA LEU 7 2.686 -8.712 0.661 46 HB2 LEU 7 HB2 LEU 7 1.393 -7.217 -0.797 47 HB3 LEU 7 HB3 LEU 7 -0.086 -8.052 -0.327 48 HG LEU 7 HG LEU 7 0.099 -7.223 1.924 49 HD11 LEU 7 HD11 LEU 7 1.897 -5.761 2.633 50 HD12 LEU 7 HD12 LEU 7 2.667 -5.904 1.054 51 HD13 LEU 7 HD13 LEU 7 2.546 -7.313 2.106 52 HD21 LEU 7 HD21 LEU 7 0.018 -4.758 1.468 53 HD22 LEU 7 HD22 LEU 7 -1.030 -5.740 0.444 54 HD23 LEU 7 HD23 LEU 7 0.493 -5.116 -0.192 55 H ASN 8 H ASN 8 -0.253 -10.591 0.078 56 HA ASN 8 HA ASN 8 -1.089 -10.751 2.767 57 HB2 ASN 8 HB2 ASN 8 -1.658 -12.386 0.309 58 HB3 ASN 8 HB3 ASN 8 -2.288 -12.875 1.880 59 HD21 ASN 8 HD21 ASN 8 -3.862 -12.177 -0.340 60 HD22 ASN 8 HD22 ASN 8 -4.753 -10.752 0.060 61 H SER 9 H SER 9 0.773 -13.014 0.750 62 HA SER 9 HA SER 9 1.144 -15.015 2.651 63 HB2 SER 9 HB2 SER 9 1.806 -15.679 0.538 64 HB3 SER 9 HB3 SER 9 2.630 -14.157 0.202 65 HG SER 9 HG SER 9 3.814 -16.305 0.831 66 H LEU 10 H LEU 10 3.216 -12.223 1.901 67 HA LEU 10 HA LEU 10 5.188 -12.779 3.835 68 HB2 LEU 10 HB2 LEU 10 4.851 -10.934 1.832 69 HB3 LEU 10 HB3 LEU 10 4.740 -9.945 3.286 70 HG LEU 10 HG LEU 10 6.982 -11.472 3.752 71 HD11 LEU 10 HD11 LEU 10 8.031 -12.043 1.877 72 HD12 LEU 10 HD12 LEU 10 7.713 -10.477 1.132 73 HD13 LEU 10 HD13 LEU 10 6.505 -11.758 1.040 74 HD21 LEU 10 HD21 LEU 10 7.138 -8.821 2.368 75 HD22 LEU 10 HD22 LEU 10 8.118 -9.448 3.694 76 HD23 LEU 10 HD23 LEU 10 6.449 -8.955 3.986 77 H ALA 11 H ALA 11 2.170 -10.977 3.968 78 HA ALA 11 HA ALA 11 2.528 -9.717 6.444 79 HB1 ALA 11 HB1 ALA 11 0.739 -9.063 4.974 80 HB2 ALA 11 HB2 ALA 11 -0.004 -10.657 5.105 81 HB3 ALA 11 HB3 ALA 11 0.054 -9.593 6.510 82 H ILE 12 H ILE 12 0.808 -12.759 5.717 83 HA ILE 12 HA ILE 12 0.329 -13.452 8.404 84 HB ILE 12 HB ILE 12 -0.066 -15.748 7.547 85 HG12 ILE 12 HG12 ILE 12 0.839 -14.533 4.928 86 HG13 ILE 12 HG13 ILE 12 1.638 -15.829 5.811 87 HG21 ILE 12 HG21 ILE 12 -1.996 -15.189 6.198 88 HG22 ILE 12 HG22 ILE 12 -1.820 -14.021 7.506 89 HG23 ILE 12 HG23 ILE 12 -1.334 -13.589 5.867 90 HD11 ILE 12 HD11 ILE 12 0.524 -17.162 4.410 91 HD12 ILE 12 HD12 ILE 12 -0.850 -16.860 5.474 92 HD13 ILE 12 HD13 ILE 12 -0.652 -15.914 3.999 93 H THR 13 H THR 13 3.004 -14.142 6.222 94 HA THR 13 HA THR 13 4.320 -16.096 7.717 95 HB THR 13 HB THR 13 5.505 -13.974 5.917 96 HG1 THR 13 HG1 THR 13 5.483 -15.724 4.407 97 HG21 THR 13 HG21 THR 13 7.229 -16.050 5.789 98 HG22 THR 13 HG22 THR 13 6.725 -16.163 7.475 99 HG23 THR 13 HG23 THR 13 7.438 -14.670 6.866 100 H PHE 14 H PHE 14 5.159 -12.627 7.573 101 HA PHE 14 HA PHE 14 6.954 -12.652 9.705 102 HB2 PHE 14 HB2 PHE 14 5.355 -10.529 8.342 103 HB3 PHE 14 HB3 PHE 14 6.177 -10.127 9.846 104 HD1 PHE 14 HD1 PHE 14 8.250 -9.183 9.644 105 HD2 PHE 14 HD2 PHE 14 6.940 -11.921 6.661 106 HE1 PHE 14 HE1 PHE 14 10.345 -8.829 8.404 107 HE2 PHE 14 HE2 PHE 14 9.034 -11.573 5.416 108 HZ PHE 14 HZ PHE 14 10.740 -10.024 6.287 109 H GLY 15 H GLY 15 3.467 -12.022 9.667 110 HA2 GLY 15 HA2 GLY 15 3.144 -11.258 12.332 111 HA3 GLY 15 HA3 GLY 15 1.909 -12.034 11.352 112 H ILE 16 H ILE 16 2.955 -14.515 10.913 113 HA ILE 16 HA ILE 16 2.389 -15.831 13.351 114 HB ILE 16 HB ILE 16 3.632 -16.919 10.823 115 HG12 ILE 16 HG12 ILE 16 0.815 -17.414 11.701 116 HG13 ILE 16 HG13 ILE 16 1.211 -15.882 10.931 117 HG21 ILE 16 HG21 ILE 16 4.165 -18.593 12.271 118 HG22 ILE 16 HG22 ILE 16 2.862 -18.191 13.389 119 HG23 ILE 16 HG23 ILE 16 2.507 -19.067 11.900 120 HD11 ILE 16 HD11 ILE 16 0.552 -17.139 9.138 121 HD12 ILE 16 HD12 ILE 16 2.294 -17.414 9.118 122 HD13 ILE 16 HD13 ILE 16 1.216 -18.632 9.800 123 H VAL 17 H VAL 17 5.384 -14.989 11.715 124 HA VAL 17 HA VAL 17 7.150 -16.556 13.232 125 HB VAL 17 HB VAL 17 7.631 -13.892 11.892 126 HG11 VAL 17 HG11 VAL 17 9.391 -15.679 13.444 127 HG12 VAL 17 HG12 VAL 17 10.044 -15.079 11.918 128 HG13 VAL 17 HG13 VAL 17 9.503 -13.943 13.155 129 HG21 VAL 17 HG21 VAL 17 7.845 -14.988 9.959 130 HG22 VAL 17 HG22 VAL 17 8.800 -16.273 10.698 131 HG23 VAL 17 HG23 VAL 17 7.039 -16.336 10.761 132 H MET 18 H MET 18 6.277 -13.119 13.620 133 HA MET 18 HA MET 18 7.706 -12.748 16.021 134 HB2 MET 18 HB2 MET 18 6.348 -10.700 16.273 135 HB3 MET 18 HB3 MET 18 7.027 -10.858 14.658 136 HG2 MET 18 HG2 MET 18 4.839 -11.771 13.902 137 HG3 MET 18 HG3 MET 18 4.192 -11.398 15.498 138 HE1 MET 18 HE1 MET 18 3.119 -9.168 16.083 139 HE2 MET 18 HE2 MET 18 4.794 -8.821 16.512 140 HE3 MET 18 HE3 MET 18 3.852 -7.635 15.608 141 H MET 19 H MET 19 4.322 -13.580 15.381 142 HA MET 19 HA MET 19 3.378 -13.481 18.007 143 HB2 MET 19 HB2 MET 19 2.532 -14.927 15.532 144 HB3 MET 19 HB3 MET 19 1.780 -15.356 17.062 145 HG2 MET 19 HG2 MET 19 0.745 -13.320 17.286 146 HG3 MET 19 HG3 MET 19 1.920 -12.492 16.266 147 HE1 MET 19 HE1 MET 19 -1.416 -12.414 16.263 148 HE2 MET 19 HE2 MET 19 -2.150 -13.448 15.037 149 HE3 MET 19 HE3 MET 19 -1.490 -14.159 16.511 150 H THR 20 H THR 20 4.736 -16.215 16.185 151 HA THR 20 HA THR 20 4.501 -18.113 18.256 152 HB THR 20 HB THR 20 6.541 -18.099 16.024 153 HG1 THR 20 HG1 THR 20 4.990 -18.897 14.750 154 HG21 THR 20 HG21 THR 20 5.926 -20.684 16.426 155 HG22 THR 20 HG22 THR 20 5.703 -20.071 18.064 156 HG23 THR 20 HG23 THR 20 7.255 -19.870 17.251 157 H LEU 21 H LEU 21 7.112 -15.912 17.340 158 HA LEU 21 HA LEU 21 9.050 -16.898 19.130 159 HB2 LEU 21 HB2 LEU 21 8.974 -14.987 17.168 160 HB3 LEU 21 HB3 LEU 21 9.148 -14.019 18.631 161 HG LEU 21 HG LEU 21 11.023 -16.157 17.628 162 HD11 LEU 21 HD11 LEU 21 10.842 -13.488 16.968 163 HD12 LEU 21 HD12 LEU 21 12.266 -14.512 16.786 164 HD13 LEU 21 HD13 LEU 21 12.075 -13.516 18.229 165 HD21 LEU 21 HD21 LEU 21 12.334 -15.019 19.677 166 HD22 LEU 21 HD22 LEU 21 11.377 -16.492 19.833 167 HD23 LEU 21 HD23 LEU 21 10.683 -14.936 20.293 168 H ILE 22 H ILE 22 6.460 -14.555 19.496 169 HA ILE 22 HA ILE 22 7.289 -13.577 22.037 170 HB ILE 22 HB ILE 22 4.572 -13.524 20.720 171 HG12 ILE 22 HG12 ILE 22 6.295 -11.117 21.071 172 HG13 ILE 22 HG13 ILE 22 6.746 -12.270 19.820 173 HG21 ILE 22 HG21 ILE 22 4.008 -13.167 22.915 174 HG22 ILE 22 HG22 ILE 22 5.565 -12.440 23.311 175 HG23 ILE 22 HG23 ILE 22 4.368 -11.520 22.399 176 HD11 ILE 22 HD11 ILE 22 4.128 -10.812 20.062 177 HD12 ILE 22 HD12 ILE 22 5.395 -10.534 18.867 178 HD13 ILE 22 HD13 ILE 22 4.488 -12.046 18.855 179 H VAL 23 H VAL 23 4.715 -15.847 21.069 180 HA VAL 23 HA VAL 23 3.904 -16.543 23.661 181 HB VAL 23 HB VAL 23 2.543 -17.068 21.709 182 HG11 VAL 23 HG11 VAL 23 4.419 -17.624 20.192 183 HG12 VAL 23 HG12 VAL 23 4.610 -19.160 21.040 184 HG13 VAL 23 HG13 VAL 23 3.122 -18.817 20.156 185 HG21 VAL 23 HG21 VAL 23 1.762 -19.200 22.395 186 HG22 VAL 23 HG22 VAL 23 3.345 -19.654 23.026 187 HG23 VAL 23 HG23 VAL 23 2.396 -18.410 23.839 188 H ILE 24 H ILE 24 6.413 -17.866 21.569 189 HA ILE 24 HA ILE 24 7.021 -20.079 23.274 190 HB ILE 24 HB ILE 24 8.535 -18.818 20.993 191 HG12 ILE 24 HG12 ILE 24 6.429 -20.059 20.483 192 HG13 ILE 24 HG13 ILE 24 7.861 -20.782 19.758 193 HG21 ILE 24 HG21 ILE 24 10.291 -19.722 22.177 194 HG22 ILE 24 HG22 ILE 24 9.307 -21.019 22.852 195 HG23 ILE 24 HG23 ILE 24 9.815 -21.085 21.165 196 HD11 ILE 24 HD11 ILE 24 6.377 -22.473 20.666 197 HD12 ILE 24 HD12 ILE 24 7.913 -22.452 21.533 198 HD13 ILE 24 HD13 ILE 24 6.480 -21.725 22.260 199 H TYR 25 H TYR 25 8.272 -16.815 22.870 200 HA TYR 25 HA TYR 25 10.573 -17.095 24.474 201 HB2 TYR 25 HB2 TYR 25 10.305 -15.207 22.962 202 HB3 TYR 25 HB3 TYR 25 8.905 -14.644 23.868 203 HD1 TYR 25 HD1 TYR 25 9.186 -13.089 25.576 204 HD2 TYR 25 HD2 TYR 25 12.546 -15.341 24.258 205 HE1 TYR 25 HE1 TYR 25 10.653 -11.722 27.001 206 HE2 TYR 25 HE2 TYR 25 14.022 -13.982 25.680 207 HH TYR 25 HH TYR 25 14.048 -12.502 27.423 208 H HIS 26 H HIS 26 7.296 -15.955 25.238 209 HA HIS 26 HA HIS 26 7.856 -15.508 27.998 210 HB2 HIS 26 HB2 HIS 26 6.036 -14.341 26.814 211 HB3 HIS 26 HB3 HIS 26 5.193 -15.874 26.608 212 HD1 HIS 26 HD1 HIS 26 6.844 -14.846 29.834 213 HD2 HIS 26 HD2 HIS 26 3.038 -15.251 28.216 214 HE1 HIS 26 HE1 HIS 26 5.259 -14.576 31.768 215 H ALA 27 H ALA 27 6.288 -18.124 26.192 216 HA ALA 27 HA ALA 27 5.464 -19.693 28.339 217 HB1 ALA 27 HB1 ALA 27 6.306 -20.434 25.548 218 HB2 ALA 27 HB2 ALA 27 5.673 -21.609 26.701 219 HB3 ALA 27 HB3 ALA 27 4.672 -20.252 26.185 220 H VAL 28 H VAL 28 8.559 -19.703 26.595 221 HA VAL 28 HA VAL 28 9.687 -21.784 28.205 222 HB VAL 28 HB VAL 28 11.049 -19.806 26.371 223 HG11 VAL 28 HG11 VAL 28 12.642 -22.007 26.446 224 HG12 VAL 28 HG12 VAL 28 12.894 -20.553 27.413 225 HG13 VAL 28 HG13 VAL 28 12.060 -21.943 28.109 226 HG21 VAL 28 HG21 VAL 28 9.306 -21.863 25.733 227 HG22 VAL 28 HG22 VAL 28 10.450 -21.082 24.643 228 HG23 VAL 28 HG23 VAL 28 10.906 -22.562 25.486 229 H ASP 29 H ASP 29 9.804 -18.263 28.206 230 HA ASP 29 HA ASP 29 11.853 -17.953 30.112 231 HB2 ASP 29 HB2 ASP 29 11.274 -16.046 28.828 232 HB3 ASP 29 HB3 ASP 29 9.571 -16.177 29.260 233 H SER 30 H SER 30 8.380 -18.413 30.419 234 HA SER 30 HA SER 30 8.385 -17.983 33.269 235 HB2 SER 30 HB2 SER 30 6.381 -17.401 32.065 236 HB3 SER 30 HB3 SER 30 6.267 -19.019 31.373 237 HG SER 30 HG SER 30 5.098 -19.460 33.053 238 H THR 31 H THR 31 7.952 -20.788 31.125 239 HA THR 31 HA THR 31 7.621 -22.755 33.048 240 HB THR 31 HB THR 31 9.038 -23.002 30.387 241 HG1 THR 31 HG1 THR 31 7.082 -22.866 29.614 242 HG21 THR 31 HG21 THR 31 8.220 -25.415 30.621 243 HG22 THR 31 HG22 THR 31 8.019 -25.054 32.336 244 HG23 THR 31 HG23 THR 31 9.613 -24.939 31.591 245 H MET 32 H MET 32 10.571 -21.250 31.865 246 HA MET 32 HA MET 32 12.307 -23.066 33.264 247 HB2 MET 32 HB2 MET 32 13.041 -21.977 31.198 248 HB3 MET 32 HB3 MET 32 12.884 -20.400 31.960 249 HG2 MET 32 HG2 MET 32 14.661 -20.914 33.499 250 HG3 MET 32 HG3 MET 32 14.764 -22.560 32.879 251 HE1 MET 32 HE1 MET 32 14.485 -18.978 31.565 252 HE2 MET 32 HE2 MET 32 16.070 -18.828 32.322 253 HE3 MET 32 HE3 MET 32 15.922 -18.761 30.566 254 H SER 33 H SER 33 10.984 -19.851 33.812 255 HA SER 33 HA SER 33 12.106 -19.932 36.536 256 HB2 SER 33 HB2 SER 33 13.193 -18.192 35.140 257 HB3 SER 33 HB3 SER 33 11.615 -17.455 34.865 258 HG SER 33 HG SER 33 13.241 -17.384 37.094 259 HA PRO 34 HA PRO 34 7.467 -19.813 36.730 260 HB2 PRO 34 HB2 PRO 34 7.264 -21.735 38.637 261 HB3 PRO 34 HB3 PRO 34 7.340 -22.100 36.909 262 HG2 PRO 34 HG2 PRO 34 9.517 -22.191 38.961 263 HG3 PRO 34 HG3 PRO 34 9.151 -23.346 37.666 264 HD2 PRO 34 HD2 PRO 34 11.127 -21.506 37.461 265 HD3 PRO 34 HD3 PRO 34 10.195 -22.066 36.058 266 H LYS 35 H LYS 35 6.263 -18.747 38.252 267 HA LYS 35 HA LYS 35 7.750 -17.626 40.513 268 HB2 LYS 35 HB2 LYS 35 5.230 -16.790 39.089 269 HB3 LYS 35 HB3 LYS 35 5.709 -16.083 40.627 270 HG2 LYS 35 HG2 LYS 35 6.606 -14.567 39.182 271 HG3 LYS 35 HG3 LYS 35 7.974 -15.668 39.366 272 HD2 LYS 35 HD2 LYS 35 7.751 -16.515 37.255 273 HD3 LYS 35 HD3 LYS 35 6.008 -16.241 37.212 274 HE2 LYS 35 HE2 LYS 35 7.831 -13.886 37.291 275 HE3 LYS 35 HE3 LYS 35 7.663 -14.775 35.778 276 HZ1 LYS 35 HZ1 LYS 35 5.358 -14.338 35.723 277 HZ2 LYS 35 HZ2 LYS 35 6.101 -12.862 36.087 278 HZ3 LYS 35 HZ3 LYS 35 5.342 -13.751 37.310 279 H ASN 36 H ASN 36 7.226 -18.009 42.593 280 HA ASN 36 HA ASN 36 5.689 -20.247 43.284 281 HB2 ASN 36 HB2 ASN 36 6.763 -17.947 44.914 282 HB3 ASN 36 HB3 ASN 36 5.876 -19.282 45.645 283 HD21 ASN 36 HD21 ASN 36 8.119 -19.209 46.729 284 HD22 ASN 36 HD22 ASN 36 9.296 -20.281 46.057 285 H ARG 37 H ARG 37 3.583 -20.530 43.652 286 HA ARG 37 HA ARG 37 1.878 -18.133 43.820 287 HB2 ARG 37 HB2 ARG 37 1.237 -20.869 42.704 288 HB3 ARG 37 HB3 ARG 37 0.077 -19.558 42.870 289 HG2 ARG 37 HG2 ARG 37 2.575 -19.047 41.345 290 HG3 ARG 37 HG3 ARG 37 1.311 -20.026 40.598 291 HD2 ARG 37 HD2 ARG 37 0.808 -17.319 41.817 292 HD3 ARG 37 HD3 ARG 37 1.214 -17.553 40.117 293 HE ARG 37 HE ARG 37 -1.009 -19.149 40.954 294 HH11 ARG 37 HH11 ARG 37 -0.045 -15.980 39.882 295 HH12 ARG 37 HH12 ARG 37 -1.606 -15.576 39.249 296 HH21 ARG 37 HH21 ARG 37 -3.069 -18.630 40.124 297 HH22 ARG 37 HH22 ARG 37 -3.326 -17.084 39.388 298 H LEU 38 H LEU 38 1.506 -17.843 45.943 299 HA LEU 38 HA LEU 38 1.264 -19.966 47.819 300 HB2 LEU 38 HB2 LEU 38 1.861 -17.423 48.116 301 HB3 LEU 38 HB3 LEU 38 0.121 -17.264 48.345 302 HG LEU 38 HG LEU 38 1.270 -17.408 50.480 303 HD11 LEU 38 HD11 LEU 38 -0.978 -18.685 49.833 304 HD12 LEU 38 HD12 LEU 38 -0.282 -18.740 51.452 305 HD13 LEU 38 HD13 LEU 38 -0.008 -20.072 50.329 306 HD21 LEU 38 HD21 LEU 38 3.149 -18.849 49.462 307 HD22 LEU 38 HD22 LEU 38 2.097 -20.215 49.832 308 HD23 LEU 38 HD23 LEU 38 2.659 -19.157 51.128 309 H GLU 39 H GLU 39 -1.158 -17.614 46.654 310 HA GLU 39 HA GLU 39 -3.261 -19.521 47.404 311 HB2 GLU 39 HB2 GLU 39 -3.292 -16.545 46.927 312 HB3 GLU 39 HB3 GLU 39 -4.768 -17.493 47.043 313 HG2 GLU 39 HG2 GLU 39 -4.021 -18.250 49.296 314 HG3 GLU 39 HG3 GLU 39 -2.677 -17.116 49.170 Start of MODEL 17 1 H1 MET 1 H MET 1 0.167 -1.746 -1.349 2 HA MET 1 HA MET 1 0.869 -0.206 -3.758 3 HB2 MET 1 HB2 MET 1 2.473 -0.600 -1.237 4 HB3 MET 1 HB3 MET 1 3.213 -0.106 -2.754 5 HG2 MET 1 HG2 MET 1 0.967 1.396 -1.439 6 HG3 MET 1 HG3 MET 1 2.672 1.744 -1.159 7 HE1 MET 1 HE1 MET 1 3.712 3.310 -1.980 8 HE2 MET 1 HE2 MET 1 3.860 3.831 -3.658 9 HE3 MET 1 HE3 MET 1 2.646 4.567 -2.609 10 H ILE 2 H ILE 2 1.783 -2.968 -1.713 11 HA ILE 2 HA ILE 2 3.183 -4.225 -3.922 12 HB ILE 2 HB ILE 2 3.626 -6.054 -2.305 13 HG12 ILE 2 HG12 ILE 2 2.377 -4.278 -0.215 14 HG13 ILE 2 HG13 ILE 2 1.472 -5.566 -1.002 15 HG21 ILE 2 HG21 ILE 2 4.591 -3.379 -2.254 16 HG22 ILE 2 HG22 ILE 2 4.578 -4.002 -0.605 17 HG23 ILE 2 HG23 ILE 2 5.450 -4.870 -1.868 18 HD11 ILE 2 HD11 ILE 2 2.896 -7.229 -0.103 19 HD12 ILE 2 HD12 ILE 2 4.056 -6.023 0.458 20 HD13 ILE 2 HD13 ILE 2 2.469 -6.141 1.218 21 H SER 3 H SER 3 2.710 -6.467 -4.536 22 HA SER 3 HA SER 3 0.079 -6.797 -5.405 23 HB2 SER 3 HB2 SER 3 2.025 -9.071 -5.000 24 HB3 SER 3 HB3 SER 3 0.745 -8.940 -6.206 25 HG SER 3 HG SER 3 3.063 -8.449 -6.807 26 H ASP 4 H ASP 4 -1.428 -8.541 -4.865 27 HA ASP 4 HA ASP 4 -2.083 -8.539 -2.119 28 HB2 ASP 4 HB2 ASP 4 -3.112 -10.417 -4.255 29 HB3 ASP 4 HB3 ASP 4 -3.892 -10.040 -2.721 30 H GLU 5 H GLU 5 -0.664 -11.017 -4.221 31 HA GLU 5 HA GLU 5 -0.575 -13.094 -2.347 32 HB2 GLU 5 HB2 GLU 5 1.210 -14.047 -3.783 33 HB3 GLU 5 HB3 GLU 5 -0.205 -13.532 -4.691 34 HG2 GLU 5 HG2 GLU 5 1.292 -11.295 -4.821 35 HG3 GLU 5 HG3 GLU 5 2.554 -12.524 -4.750 36 H GLN 6 H GLN 6 1.762 -10.540 -3.085 37 HA GLN 6 HA GLN 6 3.796 -11.453 -1.354 38 HB2 GLN 6 HB2 GLN 6 3.243 -8.618 -2.247 39 HB3 GLN 6 HB3 GLN 6 4.762 -9.230 -1.605 40 HG2 GLN 6 HG2 GLN 6 3.486 -10.213 -4.144 41 HG3 GLN 6 HG3 GLN 6 4.720 -8.956 -4.072 42 HE21 GLN 6 HE21 GLN 6 4.554 -11.804 -5.153 43 HE22 GLN 6 HE22 GLN 6 5.998 -12.547 -4.565 44 H LEU 7 H LEU 7 1.195 -9.079 -0.912 45 HA LEU 7 HA LEU 7 1.870 -8.247 1.668 46 HB2 LEU 7 HB2 LEU 7 0.192 -7.192 0.149 47 HB3 LEU 7 HB3 LEU 7 -0.913 -8.507 0.543 48 HG LEU 7 HG LEU 7 0.204 -6.874 2.770 49 HD11 LEU 7 HD11 LEU 7 -0.586 -5.329 0.910 50 HD12 LEU 7 HD12 LEU 7 -1.324 -5.116 2.496 51 HD13 LEU 7 HD13 LEU 7 -2.202 -5.963 1.223 52 HD21 LEU 7 HD21 LEU 7 -2.258 -7.250 3.479 53 HD22 LEU 7 HD22 LEU 7 -1.129 -8.603 3.544 54 HD23 LEU 7 HD23 LEU 7 -2.265 -8.465 2.202 55 H ASN 8 H ASN 8 -0.386 -10.800 0.633 56 HA ASN 8 HA ASN 8 -1.151 -11.645 3.188 57 HB2 ASN 8 HB2 ASN 8 -2.226 -12.275 0.986 58 HB3 ASN 8 HB3 ASN 8 -0.915 -13.429 0.761 59 HD21 ASN 8 HD21 ASN 8 -2.314 -15.176 0.778 60 HD22 ASN 8 HD22 ASN 8 -3.073 -15.737 2.225 61 H SER 9 H SER 9 1.406 -12.884 1.048 62 HA SER 9 HA SER 9 2.338 -14.951 2.635 63 HB2 SER 9 HB2 SER 9 3.167 -14.721 0.398 64 HB3 SER 9 HB3 SER 9 3.828 -13.123 0.744 65 HG SER 9 HG SER 9 5.162 -15.282 0.846 66 H LEU 10 H LEU 10 3.380 -11.552 2.624 67 HA LEU 10 HA LEU 10 5.298 -11.813 4.671 68 HB2 LEU 10 HB2 LEU 10 4.081 -9.686 3.141 69 HB3 LEU 10 HB3 LEU 10 4.308 -9.212 4.823 70 HG LEU 10 HG LEU 10 6.195 -8.490 3.510 71 HD11 LEU 10 HD11 LEU 10 7.883 -9.235 4.905 72 HD12 LEU 10 HD12 LEU 10 7.226 -10.868 5.001 73 HD13 LEU 10 HD13 LEU 10 6.434 -9.548 5.861 74 HD21 LEU 10 HD21 LEU 10 7.254 -9.712 1.946 75 HD22 LEU 10 HD22 LEU 10 5.766 -10.659 1.955 76 HD23 LEU 10 HD23 LEU 10 7.161 -11.198 2.891 77 H ALA 11 H ALA 11 1.847 -11.120 4.722 78 HA ALA 11 HA ALA 11 1.597 -10.335 7.395 79 HB1 ALA 11 HB1 ALA 11 -0.138 -10.890 5.240 80 HB2 ALA 11 HB2 ALA 11 -0.701 -11.837 6.618 81 HB3 ALA 11 HB3 ALA 11 -0.515 -10.089 6.766 82 H ILE 12 H ILE 12 1.064 -13.565 5.972 83 HA ILE 12 HA ILE 12 0.685 -14.886 8.430 84 HB ILE 12 HB ILE 12 1.156 -16.972 7.162 85 HG12 ILE 12 HG12 ILE 12 1.728 -15.032 4.913 86 HG13 ILE 12 HG13 ILE 12 2.870 -16.152 5.647 87 HG21 ILE 12 HG21 ILE 12 -0.940 -16.943 6.382 88 HG22 ILE 12 HG22 ILE 12 -0.994 -15.288 6.986 89 HG23 ILE 12 HG23 ILE 12 -0.613 -15.596 5.292 90 HD11 ILE 12 HD11 ILE 12 1.530 -18.030 4.810 91 HD12 ILE 12 HD12 ILE 12 0.441 -16.882 4.030 92 HD13 ILE 12 HD13 ILE 12 2.124 -16.990 3.516 93 H THR 13 H THR 13 3.563 -14.267 6.493 94 HA THR 13 HA THR 13 5.369 -15.935 7.804 95 HB THR 13 HB THR 13 5.873 -13.239 6.530 96 HG1 THR 13 HG1 THR 13 5.686 -15.876 5.594 97 HG21 THR 13 HG21 THR 13 7.734 -15.336 7.601 98 HG22 THR 13 HG22 THR 13 7.778 -13.588 7.833 99 HG23 THR 13 HG23 THR 13 8.223 -14.283 6.274 100 H PHE 14 H PHE 14 4.589 -12.524 8.465 101 HA PHE 14 HA PHE 14 6.297 -12.310 10.716 102 HB2 PHE 14 HB2 PHE 14 5.080 -10.480 9.221 103 HB3 PHE 14 HB3 PHE 14 3.870 -10.591 10.495 104 HD1 PHE 14 HD1 PHE 14 4.033 -8.879 12.001 105 HD2 PHE 14 HD2 PHE 14 7.604 -10.556 10.403 106 HE1 PHE 14 HE1 PHE 14 5.369 -7.360 13.402 107 HE2 PHE 14 HE2 PHE 14 8.945 -9.041 11.801 108 HZ PHE 14 HZ PHE 14 7.829 -7.441 13.304 109 H GLY 15 H GLY 15 2.878 -13.101 10.331 110 HA2 GLY 15 HA2 GLY 15 2.204 -13.071 13.076 111 HA3 GLY 15 HA3 GLY 15 1.322 -13.914 11.812 112 H ILE 16 H ILE 16 3.487 -15.600 10.983 113 HA ILE 16 HA ILE 16 3.171 -17.689 12.906 114 HB ILE 16 HB ILE 16 4.791 -17.498 10.373 115 HG12 ILE 16 HG12 ILE 16 2.314 -17.629 10.184 116 HG13 ILE 16 HG13 ILE 16 3.130 -19.024 9.486 117 HG21 ILE 16 HG21 ILE 16 6.081 -19.062 11.402 118 HG22 ILE 16 HG22 ILE 16 4.793 -19.566 12.495 119 HG23 ILE 16 HG23 ILE 16 4.795 -20.119 10.821 120 HD11 ILE 16 HD11 ILE 16 1.041 -19.066 11.283 121 HD12 ILE 16 HD12 ILE 16 2.081 -20.423 10.849 122 HD13 ILE 16 HD13 ILE 16 2.454 -19.443 12.268 123 H VAL 17 H VAL 17 6.046 -15.977 11.668 124 HA VAL 17 HA VAL 17 7.920 -17.103 13.385 125 HB VAL 17 HB VAL 17 9.298 -15.092 12.971 126 HG11 VAL 17 HG11 VAL 17 8.308 -16.944 11.083 127 HG12 VAL 17 HG12 VAL 17 8.442 -15.386 10.266 128 HG13 VAL 17 HG13 VAL 17 9.849 -16.088 11.066 129 HG21 VAL 17 HG21 VAL 17 6.686 -14.042 12.004 130 HG22 VAL 17 HG22 VAL 17 7.956 -13.235 12.925 131 HG23 VAL 17 HG23 VAL 17 8.161 -13.511 11.196 132 H MET 18 H MET 18 5.838 -14.282 13.841 133 HA MET 18 HA MET 18 6.968 -13.514 16.337 134 HB2 MET 18 HB2 MET 18 4.366 -12.850 14.968 135 HB3 MET 18 HB3 MET 18 4.791 -12.202 16.547 136 HG2 MET 18 HG2 MET 18 6.670 -11.885 14.252 137 HG3 MET 18 HG3 MET 18 5.270 -10.826 14.404 138 HE1 MET 18 HE1 MET 18 6.235 -8.137 16.102 139 HE2 MET 18 HE2 MET 18 4.891 -9.189 15.657 140 HE3 MET 18 HE3 MET 18 5.372 -9.040 17.348 141 H MET 19 H MET 19 3.976 -15.240 15.469 142 HA MET 19 HA MET 19 3.043 -15.697 18.055 143 HB2 MET 19 HB2 MET 19 1.703 -16.087 16.029 144 HB3 MET 19 HB3 MET 19 2.721 -17.462 15.620 145 HG2 MET 19 HG2 MET 19 0.775 -18.357 16.578 146 HG3 MET 19 HG3 MET 19 2.024 -18.479 17.815 147 HE1 MET 19 HE1 MET 19 0.057 -19.163 19.022 148 HE2 MET 19 HE2 MET 19 0.193 -18.113 20.432 149 HE3 MET 19 HE3 MET 19 -1.312 -18.166 19.514 150 H THR 20 H THR 20 5.180 -17.681 16.032 151 HA THR 20 HA THR 20 5.452 -19.820 17.846 152 HB THR 20 HB THR 20 7.550 -18.955 15.855 153 HG1 THR 20 HG1 THR 20 6.039 -19.295 14.414 154 HG21 THR 20 HG21 THR 20 7.096 -21.774 16.031 155 HG22 THR 20 HG22 THR 20 7.353 -21.127 17.652 156 HG23 THR 20 HG23 THR 20 8.562 -20.864 16.395 157 H LEU 21 H LEU 21 7.601 -17.050 17.198 158 HA LEU 21 HA LEU 21 9.577 -17.599 19.049 159 HB2 LEU 21 HB2 LEU 21 9.420 -15.731 17.298 160 HB3 LEU 21 HB3 LEU 21 8.586 -14.811 18.548 161 HG LEU 21 HG LEU 21 11.340 -15.953 18.952 162 HD11 LEU 21 HD11 LEU 21 10.549 -13.275 17.823 163 HD12 LEU 21 HD12 LEU 21 11.532 -14.518 17.050 164 HD13 LEU 21 HD13 LEU 21 12.153 -13.651 18.455 165 HD21 LEU 21 HD21 LEU 21 10.843 -15.299 21.032 166 HD22 LEU 21 HD22 LEU 21 9.456 -14.346 20.504 167 HD23 LEU 21 HD23 LEU 21 11.079 -13.661 20.423 168 H ILE 22 H ILE 22 6.499 -15.920 19.525 169 HA ILE 22 HA ILE 22 6.951 -15.200 22.224 170 HB ILE 22 HB ILE 22 4.336 -15.621 20.773 171 HG12 ILE 22 HG12 ILE 22 5.495 -12.946 21.433 172 HG13 ILE 22 HG13 ILE 22 6.136 -13.825 20.050 173 HG21 ILE 22 HG21 ILE 22 3.549 -13.987 22.599 174 HG22 ILE 22 HG22 ILE 22 3.764 -15.683 23.027 175 HG23 ILE 22 HG23 ILE 22 4.993 -14.499 23.471 176 HD11 ILE 22 HD11 ILE 22 3.312 -12.899 20.483 177 HD12 ILE 22 HD12 ILE 22 4.457 -12.354 19.256 178 HD13 ILE 22 HD13 ILE 22 3.799 -13.988 19.184 179 H VAL 23 H VAL 23 5.295 -17.958 20.726 180 HA VAL 23 HA VAL 23 4.437 -19.164 23.127 181 HB VAL 23 HB VAL 23 5.023 -20.442 20.453 182 HG11 VAL 23 HG11 VAL 23 3.512 -21.492 22.842 183 HG12 VAL 23 HG12 VAL 23 3.529 -22.248 21.247 184 HG13 VAL 23 HG13 VAL 23 5.020 -22.125 22.182 185 HG21 VAL 23 HG21 VAL 23 3.095 -19.601 19.733 186 HG22 VAL 23 HG22 VAL 23 2.243 -20.206 21.155 187 HG23 VAL 23 HG23 VAL 23 3.027 -18.627 21.202 188 H ILE 24 H ILE 24 7.425 -19.381 21.290 189 HA ILE 24 HA ILE 24 8.506 -21.595 22.711 190 HB ILE 24 HB ILE 24 9.917 -19.449 21.121 191 HG12 ILE 24 HG12 ILE 24 9.511 -22.255 20.179 192 HG13 ILE 24 HG13 ILE 24 8.155 -21.136 20.090 193 HG21 ILE 24 HG21 ILE 24 11.613 -21.461 20.968 194 HG22 ILE 24 HG22 ILE 24 11.658 -20.325 22.316 195 HG23 ILE 24 HG23 ILE 24 10.879 -21.895 22.512 196 HD11 ILE 24 HD11 ILE 24 9.260 -19.743 18.579 197 HD12 ILE 24 HD12 ILE 24 10.833 -20.458 18.934 198 HD13 ILE 24 HD13 ILE 24 9.630 -21.379 18.033 199 H TYR 25 H TYR 25 9.176 -18.097 22.881 200 HA TYR 25 HA TYR 25 10.944 -18.242 25.062 201 HB2 TYR 25 HB2 TYR 25 10.367 -16.283 23.389 202 HB3 TYR 25 HB3 TYR 25 9.232 -15.825 24.654 203 HD1 TYR 25 HD1 TYR 25 10.107 -15.319 26.952 204 HD2 TYR 25 HD2 TYR 25 12.684 -15.852 23.608 205 HE1 TYR 25 HE1 TYR 25 11.920 -14.195 28.177 206 HE2 TYR 25 HE2 TYR 25 14.504 -14.731 24.824 207 HH TYR 25 HH TYR 25 14.774 -14.400 27.833 208 H HIS 26 H HIS 26 7.451 -17.675 24.902 209 HA HIS 26 HA HIS 26 7.056 -17.198 27.649 210 HB2 HIS 26 HB2 HIS 26 5.405 -16.669 25.858 211 HB3 HIS 26 HB3 HIS 26 5.086 -18.393 25.690 212 HD1 HIS 26 HD1 HIS 26 3.861 -15.483 27.374 213 HD2 HIS 26 HD2 HIS 26 4.125 -19.525 28.296 214 HE1 HIS 26 HE1 HIS 26 2.219 -15.855 29.241 215 H ALA 27 H ALA 27 6.697 -20.171 25.728 216 HA ALA 27 HA ALA 27 5.919 -21.861 27.814 217 HB1 ALA 27 HB1 ALA 27 5.668 -22.571 25.545 218 HB2 ALA 27 HB2 ALA 27 7.407 -22.469 25.266 219 HB3 ALA 27 HB3 ALA 27 6.758 -23.698 26.353 220 H VAL 28 H VAL 28 9.173 -21.457 26.403 221 HA VAL 28 HA VAL 28 10.544 -23.081 28.203 222 HB VAL 28 HB VAL 28 11.575 -20.619 26.787 223 HG11 VAL 28 HG11 VAL 28 13.727 -22.173 27.002 224 HG12 VAL 28 HG12 VAL 28 13.284 -20.995 28.239 225 HG13 VAL 28 HG13 VAL 28 12.874 -22.697 28.453 226 HG21 VAL 28 HG21 VAL 28 10.598 -22.940 25.674 227 HG22 VAL 28 HG22 VAL 28 11.709 -21.810 24.900 228 HG23 VAL 28 HG23 VAL 28 12.337 -23.227 25.741 229 H ASP 29 H ASP 29 9.675 -19.670 28.414 230 HA ASP 29 HA ASP 29 11.169 -19.118 30.764 231 HB2 ASP 29 HB2 ASP 29 10.543 -17.248 29.453 232 HB3 ASP 29 HB3 ASP 29 8.852 -17.738 29.419 233 H SER 30 H SER 30 7.894 -20.250 30.166 234 HA SER 30 HA SER 30 6.958 -19.971 32.827 235 HB2 SER 30 HB2 SER 30 5.495 -20.228 30.807 236 HB3 SER 30 HB3 SER 30 5.975 -21.923 30.733 237 HG SER 30 HG SER 30 5.046 -22.221 32.774 238 H THR 31 H THR 31 8.443 -22.640 31.049 239 HA THR 31 HA THR 31 8.224 -24.485 33.238 240 HB THR 31 HB THR 31 8.267 -25.320 30.941 241 HG1 THR 31 HG1 THR 31 9.067 -26.733 32.509 242 HG21 THR 31 HG21 THR 31 9.768 -23.607 29.994 243 HG22 THR 31 HG22 THR 31 10.294 -25.243 29.598 244 HG23 THR 31 HG23 THR 31 11.121 -24.333 30.862 245 H MET 32 H MET 32 10.698 -22.333 31.967 246 HA MET 32 HA MET 32 12.917 -23.293 33.348 247 HB2 MET 32 HB2 MET 32 13.130 -21.621 31.605 248 HB3 MET 32 HB3 MET 32 12.220 -20.460 32.560 249 HG2 MET 32 HG2 MET 32 13.993 -20.407 34.220 250 HG3 MET 32 HG3 MET 32 14.899 -21.608 33.303 251 HE1 MET 32 HE1 MET 32 15.337 -21.295 30.789 252 HE2 MET 32 HE2 MET 32 16.090 -19.816 30.195 253 HE3 MET 32 HE3 MET 32 16.845 -20.725 31.504 254 H SER 33 H SER 33 10.456 -20.950 34.356 255 HA SER 33 HA SER 33 11.059 -21.536 37.137 256 HB2 SER 33 HB2 SER 33 12.316 -19.692 37.418 257 HB3 SER 33 HB3 SER 33 11.890 -19.073 35.822 258 HG SER 33 HG SER 33 11.167 -17.962 37.940 259 HA PRO 34 HA PRO 34 6.743 -21.011 37.713 260 HB2 PRO 34 HB2 PRO 34 6.611 -19.933 40.201 261 HB3 PRO 34 HB3 PRO 34 7.058 -21.618 39.906 262 HG2 PRO 34 HG2 PRO 34 8.819 -19.257 40.444 263 HG3 PRO 34 HG3 PRO 34 8.927 -20.904 41.092 264 HD2 PRO 34 HD2 PRO 34 10.489 -20.034 39.059 265 HD3 PRO 34 HD3 PRO 34 9.949 -21.720 39.193 266 H LYS 35 H LYS 35 5.079 -19.543 37.512 267 HA LYS 35 HA LYS 35 5.782 -16.914 36.635 268 HB2 LYS 35 HB2 LYS 35 3.173 -18.369 36.999 269 HB3 LYS 35 HB3 LYS 35 3.216 -16.666 36.560 270 HG2 LYS 35 HG2 LYS 35 4.514 -18.886 34.994 271 HG3 LYS 35 HG3 LYS 35 2.954 -18.151 34.619 272 HD2 LYS 35 HD2 LYS 35 4.218 -15.930 34.551 273 HD3 LYS 35 HD3 LYS 35 5.688 -16.906 34.513 274 HE2 LYS 35 HE2 LYS 35 5.241 -16.523 32.263 275 HE3 LYS 35 HE3 LYS 35 4.564 -18.127 32.542 276 HZ1 LYS 35 HZ1 LYS 35 2.752 -17.256 31.592 277 HZ2 LYS 35 HZ2 LYS 35 3.232 -15.657 31.863 278 HZ3 LYS 35 HZ3 LYS 35 2.475 -16.534 33.097 279 H ASN 36 H ASN 36 4.890 -14.924 37.495 280 HA ASN 36 HA ASN 36 5.387 -14.594 40.233 281 HB2 ASN 36 HB2 ASN 36 4.119 -12.872 38.127 282 HB3 ASN 36 HB3 ASN 36 4.118 -12.351 39.810 283 HD21 ASN 36 HD21 ASN 36 5.400 -10.569 39.089 284 HD22 ASN 36 HD22 ASN 36 7.101 -10.763 38.856 285 H ARG 37 H ARG 37 4.207 -15.294 41.878 286 HA ARG 37 HA ARG 37 1.276 -15.367 41.578 287 HB2 ARG 37 HB2 ARG 37 3.158 -17.151 43.110 288 HB3 ARG 37 HB3 ARG 37 1.440 -17.087 43.478 289 HG2 ARG 37 HG2 ARG 37 0.913 -17.791 41.207 290 HG3 ARG 37 HG3 ARG 37 2.633 -17.827 40.814 291 HD2 ARG 37 HD2 ARG 37 1.384 -19.470 43.008 292 HD3 ARG 37 HD3 ARG 37 1.612 -20.055 41.360 293 HE ARG 37 HE ARG 37 4.079 -19.152 42.187 294 HH11 ARG 37 HH11 ARG 37 1.777 -21.545 43.232 295 HH12 ARG 37 HH12 ARG 37 2.980 -22.601 43.897 296 HH21 ARG 37 HH21 ARG 37 5.672 -20.533 43.059 297 HH22 ARG 37 HH22 ARG 37 5.194 -22.024 43.798 298 H LEU 38 H LEU 38 0.463 -13.613 42.537 299 HA LEU 38 HA LEU 38 0.929 -13.209 45.356 300 HB2 LEU 38 HB2 LEU 38 1.612 -10.902 45.193 301 HB3 LEU 38 HB3 LEU 38 2.759 -11.934 44.340 302 HG LEU 38 HG LEU 38 0.591 -10.589 42.792 303 HD11 LEU 38 HD11 LEU 38 3.102 -9.261 43.793 304 HD12 LEU 38 HD12 LEU 38 1.438 -8.772 44.106 305 HD13 LEU 38 HD13 LEU 38 2.102 -8.645 42.478 306 HD21 LEU 38 HD21 LEU 38 3.135 -11.945 42.303 307 HD22 LEU 38 HD22 LEU 38 2.940 -10.441 41.404 308 HD23 LEU 38 HD23 LEU 38 1.742 -11.726 41.244 309 H GLU 39 H GLU 39 -0.594 -11.731 46.319 310 HA GLU 39 HA GLU 39 -3.087 -11.625 44.797 311 HB2 GLU 39 HB2 GLU 39 -2.550 -11.175 47.739 312 HB3 GLU 39 HB3 GLU 39 -4.139 -11.153 46.986 313 HG2 GLU 39 HG2 GLU 39 -4.024 -13.464 46.471 314 HG3 GLU 39 HG3 GLU 39 -2.317 -13.540 46.904 Start of MODEL 18 1 H1 MET 1 H MET 1 2.647 0.342 -2.879 2 HA MET 1 HA MET 1 4.520 -1.364 -4.300 3 HB2 MET 1 HB2 MET 1 5.530 0.255 -2.874 4 HB3 MET 1 HB3 MET 1 4.494 -0.188 -1.523 5 HG2 MET 1 HG2 MET 1 5.811 -1.886 -0.904 6 HG3 MET 1 HG3 MET 1 6.123 -2.383 -2.566 7 HE1 MET 1 HE1 MET 1 9.602 -1.556 -3.060 8 HE2 MET 1 HE2 MET 1 8.204 -2.612 -3.268 9 HE3 MET 1 HE3 MET 1 8.269 -1.060 -4.104 10 H ILE 2 H ILE 2 2.898 -1.633 -1.131 11 HA ILE 2 HA ILE 2 3.252 -4.418 -0.924 12 HB ILE 2 HB ILE 2 2.820 -3.076 1.047 13 HG12 ILE 2 HG12 ILE 2 1.093 -4.472 2.110 14 HG13 ILE 2 HG13 ILE 2 0.562 -5.024 0.525 15 HG21 ILE 2 HG21 ILE 2 1.248 -1.512 1.128 16 HG22 ILE 2 HG22 ILE 2 0.807 -1.924 -0.528 17 HG23 ILE 2 HG23 ILE 2 -0.014 -2.704 0.823 18 HD11 ILE 2 HD11 ILE 2 2.546 -6.128 2.191 19 HD12 ILE 2 HD12 ILE 2 2.044 -6.657 0.585 20 HD13 ILE 2 HD13 ILE 2 3.356 -5.492 0.760 21 H SER 3 H SER 3 2.212 -6.062 -1.833 22 HA SER 3 HA SER 3 -0.310 -5.505 -3.242 23 HB2 SER 3 HB2 SER 3 1.943 -7.417 -3.762 24 HB3 SER 3 HB3 SER 3 0.331 -7.775 -4.382 25 HG SER 3 HG SER 3 1.784 -6.534 -5.797 26 H ASP 4 H ASP 4 -1.624 -7.665 -3.506 27 HA ASP 4 HA ASP 4 -2.562 -8.354 -0.928 28 HB2 ASP 4 HB2 ASP 4 -3.140 -9.927 -3.433 29 HB3 ASP 4 HB3 ASP 4 -4.174 -9.695 -2.026 30 H GLU 5 H GLU 5 -0.642 -10.127 -3.327 31 HA GLU 5 HA GLU 5 -0.462 -12.535 -1.871 32 HB2 GLU 5 HB2 GLU 5 1.460 -13.039 -3.355 33 HB3 GLU 5 HB3 GLU 5 0.038 -12.492 -4.233 34 HG2 GLU 5 HG2 GLU 5 1.218 -10.147 -3.988 35 HG3 GLU 5 HG3 GLU 5 2.656 -11.156 -3.836 36 H GLN 6 H GLN 6 1.614 -9.673 -1.995 37 HA GLN 6 HA GLN 6 3.627 -10.734 -0.287 38 HB2 GLN 6 HB2 GLN 6 4.154 -8.922 -1.801 39 HB3 GLN 6 HB3 GLN 6 2.949 -7.889 -1.044 40 HG2 GLN 6 HG2 GLN 6 5.104 -7.215 -0.285 41 HG3 GLN 6 HG3 GLN 6 4.260 -7.988 1.057 42 HE21 GLN 6 HE21 GLN 6 6.560 -8.051 1.808 43 HE22 GLN 6 HE22 GLN 6 7.488 -9.447 1.391 44 H LEU 7 H LEU 7 0.798 -8.677 0.233 45 HA LEU 7 HA LEU 7 1.264 -8.071 2.933 46 HB2 LEU 7 HB2 LEU 7 -0.400 -6.979 1.415 47 HB3 LEU 7 HB3 LEU 7 -1.420 -8.404 1.606 48 HG LEU 7 HG LEU 7 -0.547 -6.878 4.023 49 HD11 LEU 7 HD11 LEU 7 -2.889 -5.730 3.643 50 HD12 LEU 7 HD12 LEU 7 -2.481 -5.990 1.947 51 HD13 LEU 7 HD13 LEU 7 -1.408 -5.041 2.976 52 HD21 LEU 7 HD21 LEU 7 -1.661 -8.862 4.558 53 HD22 LEU 7 HD22 LEU 7 -2.835 -8.663 3.258 54 HD23 LEU 7 HD23 LEU 7 -2.908 -7.620 4.679 55 H ASN 8 H ASN 8 -0.642 -10.676 1.443 56 HA ASN 8 HA ASN 8 -1.407 -11.860 3.908 57 HB2 ASN 8 HB2 ASN 8 -2.585 -12.177 1.708 58 HB3 ASN 8 HB3 ASN 8 -1.249 -13.210 1.208 59 HD21 ASN 8 HD21 ASN 8 -3.424 -12.818 3.987 60 HD22 ASN 8 HD22 ASN 8 -3.741 -14.505 4.191 61 H SER 9 H SER 9 1.214 -12.465 1.618 62 HA SER 9 HA SER 9 2.210 -14.806 2.826 63 HB2 SER 9 HB2 SER 9 2.865 -14.182 0.567 64 HB3 SER 9 HB3 SER 9 3.637 -12.714 1.165 65 HG SER 9 HG SER 9 5.303 -13.846 1.833 66 H LEU 10 H LEU 10 3.220 -11.409 3.160 67 HA LEU 10 HA LEU 10 5.201 -11.921 5.118 68 HB2 LEU 10 HB2 LEU 10 5.492 -9.639 5.230 69 HB3 LEU 10 HB3 LEU 10 4.839 -9.855 3.607 70 HG LEU 10 HG LEU 10 2.555 -9.359 4.856 71 HD11 LEU 10 HD11 LEU 10 4.594 -8.689 6.807 72 HD12 LEU 10 HD12 LEU 10 2.847 -8.823 6.996 73 HD13 LEU 10 HD13 LEU 10 3.557 -7.316 6.418 74 HD21 LEU 10 HD21 LEU 10 4.416 -7.076 4.266 75 HD22 LEU 10 HD22 LEU 10 2.670 -7.165 4.027 76 HD23 LEU 10 HD23 LEU 10 3.752 -8.100 2.993 77 H ALA 11 H ALA 11 1.769 -11.233 5.280 78 HA ALA 11 HA ALA 11 1.585 -10.620 8.016 79 HB1 ALA 11 HB1 ALA 11 -0.820 -11.474 7.704 80 HB2 ALA 11 HB2 ALA 11 -0.297 -10.082 6.755 81 HB3 ALA 11 HB3 ALA 11 -0.373 -11.678 6.010 82 H ILE 12 H ILE 12 0.983 -13.711 6.339 83 HA ILE 12 HA ILE 12 0.618 -15.214 8.704 84 HB ILE 12 HB ILE 12 0.861 -17.196 7.300 85 HG12 ILE 12 HG12 ILE 12 1.754 -15.228 5.184 86 HG13 ILE 12 HG13 ILE 12 2.724 -16.508 5.905 87 HG21 ILE 12 HG21 ILE 12 -1.200 -16.888 6.516 88 HG22 ILE 12 HG22 ILE 12 -1.059 -15.216 7.055 89 HG23 ILE 12 HG23 ILE 12 -0.662 -15.641 5.391 90 HD11 ILE 12 HD11 ILE 12 0.523 -17.834 4.897 91 HD12 ILE 12 HD12 ILE 12 0.883 -16.606 3.682 92 HD13 ILE 12 HD13 ILE 12 2.129 -17.753 4.173 93 H THR 13 H THR 13 3.445 -14.454 6.761 94 HA THR 13 HA THR 13 5.244 -16.300 7.853 95 HB THR 13 HB THR 13 5.752 -13.538 6.736 96 HG1 THR 13 HG1 THR 13 6.593 -15.039 4.994 97 HG21 THR 13 HG21 THR 13 7.659 -15.705 7.587 98 HG22 THR 13 HG22 THR 13 7.655 -14.005 8.054 99 HG23 THR 13 HG23 THR 13 8.101 -14.468 6.412 100 H PHE 14 H PHE 14 4.979 -12.831 8.663 101 HA PHE 14 HA PHE 14 6.613 -12.971 10.942 102 HB2 PHE 14 HB2 PHE 14 5.713 -10.917 9.567 103 HB3 PHE 14 HB3 PHE 14 4.410 -10.952 10.751 104 HD1 PHE 14 HD1 PHE 14 4.755 -10.233 12.989 105 HD2 PHE 14 HD2 PHE 14 8.032 -10.505 10.286 106 HE1 PHE 14 HE1 PHE 14 6.160 -8.976 14.570 107 HE2 PHE 14 HE2 PHE 14 9.442 -9.250 11.863 108 HZ PHE 14 HZ PHE 14 8.506 -8.482 14.008 109 H GLY 15 H GLY 15 3.152 -13.410 10.504 110 HA2 GLY 15 HA2 GLY 15 2.351 -13.319 13.187 111 HA3 GLY 15 HA3 GLY 15 1.525 -14.205 11.914 112 H ILE 16 H ILE 16 3.228 -16.157 11.218 113 HA ILE 16 HA ILE 16 2.972 -18.006 13.346 114 HB ILE 16 HB ILE 16 4.511 -18.211 10.757 115 HG12 ILE 16 HG12 ILE 16 2.096 -17.967 10.465 116 HG13 ILE 16 HG13 ILE 16 2.603 -19.600 10.046 117 HG21 ILE 16 HG21 ILE 16 3.979 -20.237 12.908 118 HG22 ILE 16 HG22 ILE 16 4.328 -20.705 11.245 119 HG23 ILE 16 HG23 ILE 16 5.518 -19.792 12.172 120 HD11 ILE 16 HD11 ILE 16 0.640 -18.762 11.918 121 HD12 ILE 16 HD12 ILE 16 1.094 -20.400 11.443 122 HD13 ILE 16 HD13 ILE 16 1.922 -19.608 12.784 123 H VAL 17 H VAL 17 5.722 -16.226 12.016 124 HA VAL 17 HA VAL 17 7.759 -17.479 13.474 125 HB VAL 17 HB VAL 17 7.597 -14.639 12.460 126 HG11 VAL 17 HG11 VAL 17 9.262 -14.605 14.126 127 HG12 VAL 17 HG12 VAL 17 9.881 -16.188 13.652 128 HG13 VAL 17 HG13 VAL 17 10.127 -14.793 12.601 129 HG21 VAL 17 HG21 VAL 17 8.487 -15.368 10.485 130 HG22 VAL 17 HG22 VAL 17 9.294 -16.749 11.229 131 HG23 VAL 17 HG23 VAL 17 7.556 -16.797 10.932 132 H MET 18 H MET 18 6.049 -14.429 14.186 133 HA MET 18 HA MET 18 7.245 -14.031 16.706 134 HB2 MET 18 HB2 MET 18 5.665 -12.294 17.029 135 HB3 MET 18 HB3 MET 18 6.013 -12.316 15.306 136 HG2 MET 18 HG2 MET 18 3.947 -13.561 14.907 137 HG3 MET 18 HG3 MET 18 3.599 -13.525 16.634 138 HE1 MET 18 HE1 MET 18 1.414 -12.530 16.623 139 HE2 MET 18 HE2 MET 18 2.259 -11.502 17.779 140 HE3 MET 18 HE3 MET 18 1.170 -10.784 16.592 141 H MET 19 H MET 19 4.316 -15.714 15.705 142 HA MET 19 HA MET 19 3.170 -16.120 18.222 143 HB2 MET 19 HB2 MET 19 1.903 -16.583 16.234 144 HB3 MET 19 HB3 MET 19 3.064 -17.797 15.713 145 HG2 MET 19 HG2 MET 19 1.095 -18.870 16.573 146 HG3 MET 19 HG3 MET 19 2.457 -19.181 17.647 147 HE1 MET 19 HE1 MET 19 -0.858 -17.191 17.096 148 HE2 MET 19 HE2 MET 19 -1.101 -18.815 17.739 149 HE3 MET 19 HE3 MET 19 -1.522 -17.407 18.715 150 H THR 20 H THR 20 5.470 -18.124 16.405 151 HA THR 20 HA THR 20 5.642 -20.185 18.338 152 HB THR 20 HB THR 20 7.840 -19.467 16.403 153 HG1 THR 20 HG1 THR 20 6.640 -20.193 14.795 154 HG21 THR 20 HG21 THR 20 7.145 -22.265 16.758 155 HG22 THR 20 HG22 THR 20 7.589 -21.492 18.280 156 HG23 THR 20 HG23 THR 20 8.707 -21.463 16.917 157 H LEU 21 H LEU 21 7.651 -17.329 17.697 158 HA LEU 21 HA LEU 21 9.650 -17.800 19.577 159 HB2 LEU 21 HB2 LEU 21 8.584 -15.452 18.151 160 HB3 LEU 21 HB3 LEU 21 9.481 -15.106 19.628 161 HG LEU 21 HG LEU 21 10.928 -14.940 17.690 162 HD11 LEU 21 HD11 LEU 21 12.207 -17.309 18.538 163 HD12 LEU 21 HD12 LEU 21 11.370 -16.636 19.937 164 HD13 LEU 21 HD13 LEU 21 12.529 -15.651 19.045 165 HD21 LEU 21 HD21 LEU 21 11.463 -17.204 16.544 166 HD22 LEU 21 HD22 LEU 21 10.042 -16.292 16.036 167 HD23 LEU 21 HD23 LEU 21 9.863 -17.675 17.117 168 H ILE 22 H ILE 22 6.494 -16.256 19.944 169 HA ILE 22 HA ILE 22 6.882 -15.452 22.643 170 HB ILE 22 HB ILE 22 4.307 -15.925 21.136 171 HG12 ILE 22 HG12 ILE 22 5.407 -13.220 21.762 172 HG13 ILE 22 HG13 ILE 22 6.120 -14.122 20.429 173 HG21 ILE 22 HG21 ILE 22 4.841 -14.517 23.746 174 HG22 ILE 22 HG22 ILE 22 3.319 -14.441 22.861 175 HG23 ILE 22 HG23 ILE 22 3.889 -15.981 23.503 176 HD11 ILE 22 HD11 ILE 22 3.241 -13.306 20.720 177 HD12 ILE 22 HD12 ILE 22 4.424 -12.662 19.582 178 HD13 ILE 22 HD13 ILE 22 3.870 -14.329 19.429 179 H VAL 23 H VAL 23 5.218 -18.219 21.156 180 HA VAL 23 HA VAL 23 4.325 -19.408 23.536 181 HB VAL 23 HB VAL 23 5.037 -20.747 20.923 182 HG11 VAL 23 HG11 VAL 23 4.745 -22.631 22.093 183 HG12 VAL 23 HG12 VAL 23 4.039 -21.776 23.465 184 HG13 VAL 23 HG13 VAL 23 3.033 -22.212 22.083 185 HG21 VAL 23 HG21 VAL 23 3.154 -19.923 20.076 186 HG22 VAL 23 HG22 VAL 23 2.225 -20.477 21.469 187 HG23 VAL 23 HG23 VAL 23 3.016 -18.901 21.506 188 H ILE 24 H ILE 24 7.316 -19.849 21.690 189 HA ILE 24 HA ILE 24 8.357 -21.909 23.346 190 HB ILE 24 HB ILE 24 9.747 -20.021 21.445 191 HG12 ILE 24 HG12 ILE 24 8.112 -21.608 20.449 192 HG13 ILE 24 HG13 ILE 24 9.765 -21.910 19.923 193 HG21 ILE 24 HG21 ILE 24 11.609 -21.700 21.553 194 HG22 ILE 24 HG22 ILE 24 11.390 -20.733 23.010 195 HG23 ILE 24 HG23 ILE 24 10.807 -22.396 22.960 196 HD11 ILE 24 HD11 ILE 24 9.931 -23.748 21.523 197 HD12 ILE 24 HD12 ILE 24 8.268 -23.448 22.031 198 HD13 ILE 24 HD13 ILE 24 8.605 -23.983 20.384 199 H TYR 25 H TYR 25 8.757 -18.397 23.276 200 HA TYR 25 HA TYR 25 10.782 -18.187 25.196 201 HB2 TYR 25 HB2 TYR 25 8.748 -16.366 24.043 202 HB3 TYR 25 HB3 TYR 25 9.438 -15.883 25.588 203 HD1 TYR 25 HD1 TYR 25 10.798 -14.064 25.026 204 HD2 TYR 25 HD2 TYR 25 11.101 -17.663 22.777 205 HE1 TYR 25 HE1 TYR 25 12.772 -13.166 23.866 206 HE2 TYR 25 HE2 TYR 25 13.076 -16.775 21.611 207 HH TYR 25 HH TYR 25 14.079 -14.608 21.078 208 H HIS 26 H HIS 26 7.251 -17.941 25.595 209 HA HIS 26 HA HIS 26 7.351 -17.711 28.422 210 HB2 HIS 26 HB2 HIS 26 5.432 -16.939 27.068 211 HB3 HIS 26 HB3 HIS 26 5.056 -18.613 26.668 212 HD1 HIS 26 HD1 HIS 26 4.265 -20.136 28.709 213 HD2 HIS 26 HD2 HIS 26 4.405 -16.050 29.447 214 HE1 HIS 26 HE1 HIS 26 2.908 -19.783 30.797 215 H ALA 27 H ALA 27 7.059 -20.422 26.207 216 HA ALA 27 HA ALA 27 6.288 -22.413 28.003 217 HB1 ALA 27 HB1 ALA 27 7.985 -22.585 25.520 218 HB2 ALA 27 HB2 ALA 27 7.365 -23.987 26.394 219 HB3 ALA 27 HB3 ALA 27 6.245 -22.844 25.653 220 H VAL 28 H VAL 28 9.587 -21.578 26.925 221 HA VAL 28 HA VAL 28 10.848 -23.306 28.805 222 HB VAL 28 HB VAL 28 12.937 -22.163 28.164 223 HG11 VAL 28 HG11 VAL 28 11.742 -23.964 26.766 224 HG12 VAL 28 HG12 VAL 28 11.373 -22.645 25.653 225 HG13 VAL 28 HG13 VAL 28 13.051 -23.052 26.015 226 HG21 VAL 28 HG21 VAL 28 12.528 -19.941 27.805 227 HG22 VAL 28 HG22 VAL 28 12.549 -20.518 26.138 228 HG23 VAL 28 HG23 VAL 28 11.011 -20.242 26.957 229 H ASP 29 H ASP 29 9.982 -19.901 28.783 230 HA ASP 29 HA ASP 29 11.466 -19.110 31.045 231 HB2 ASP 29 HB2 ASP 29 9.057 -18.012 29.632 232 HB3 ASP 29 HB3 ASP 29 9.580 -17.306 31.159 233 H SER 30 H SER 30 8.254 -20.504 30.677 234 HA SER 30 HA SER 30 7.628 -20.235 33.481 235 HB2 SER 30 HB2 SER 30 5.569 -21.451 32.916 236 HB3 SER 30 HB3 SER 30 5.846 -20.125 31.787 237 HG SER 30 HG SER 30 5.321 -21.911 30.586 238 H THR 31 H THR 31 8.737 -22.764 31.302 239 HA THR 31 HA THR 31 8.483 -24.903 33.160 240 HB THR 31 HB THR 31 10.264 -24.707 30.723 241 HG1 THR 31 HG1 THR 31 7.555 -25.305 31.106 242 HG21 THR 31 HG21 THR 31 10.117 -26.676 32.756 243 HG22 THR 31 HG22 THR 31 11.021 -26.736 31.243 244 HG23 THR 31 HG23 THR 31 9.370 -27.352 31.308 245 H MET 32 H MET 32 11.050 -22.637 32.361 246 HA MET 32 HA MET 32 13.000 -23.984 34.006 247 HB2 MET 32 HB2 MET 32 13.528 -22.635 31.924 248 HB3 MET 32 HB3 MET 32 13.185 -21.194 32.872 249 HG2 MET 32 HG2 MET 32 15.151 -23.162 33.921 250 HG3 MET 32 HG3 MET 32 15.628 -22.099 32.600 251 HE1 MET 32 HE1 MET 32 16.521 -18.921 34.156 252 HE2 MET 32 HE2 MET 32 16.713 -20.131 32.888 253 HE3 MET 32 HE3 MET 32 15.236 -19.170 32.975 254 H SER 33 H SER 33 11.047 -21.033 34.208 255 HA SER 33 HA SER 33 11.484 -21.040 37.113 256 HB2 SER 33 HB2 SER 33 12.012 -18.832 35.185 257 HB3 SER 33 HB3 SER 33 11.302 -18.400 36.740 258 HG SER 33 HG SER 33 13.319 -18.459 37.358 259 HA PRO 34 HA PRO 34 7.154 -20.479 37.527 260 HB2 PRO 34 HB2 PRO 34 6.980 -18.800 39.654 261 HB3 PRO 34 HB3 PRO 34 7.464 -20.493 39.804 262 HG2 PRO 34 HG2 PRO 34 9.170 -18.035 39.719 263 HG3 PRO 34 HG3 PRO 34 9.308 -19.457 40.769 264 HD2 PRO 34 HD2 PRO 34 10.867 -19.104 38.584 265 HD3 PRO 34 HD3 PRO 34 10.362 -20.710 39.147 266 H LYS 35 H LYS 35 5.382 -18.889 37.525 267 HA LYS 35 HA LYS 35 5.691 -16.954 35.526 268 HB2 LYS 35 HB2 LYS 35 3.517 -17.091 37.622 269 HB3 LYS 35 HB3 LYS 35 3.425 -16.252 36.080 270 HG2 LYS 35 HG2 LYS 35 3.871 -19.214 36.280 271 HG3 LYS 35 HG3 LYS 35 2.262 -18.490 36.228 272 HD2 LYS 35 HD2 LYS 35 2.772 -17.469 34.079 273 HD3 LYS 35 HD3 LYS 35 4.410 -18.122 34.139 274 HE2 LYS 35 HE2 LYS 35 3.266 -19.617 32.763 275 HE3 LYS 35 HE3 LYS 35 3.274 -20.415 34.335 276 HZ1 LYS 35 HZ1 LYS 35 1.004 -18.705 33.565 277 HZ2 LYS 35 HZ2 LYS 35 1.045 -19.998 34.656 278 HZ3 LYS 35 HZ3 LYS 35 1.093 -20.294 32.991 279 H ASN 36 H ASN 36 5.604 -14.668 35.612 280 HA ASN 36 HA ASN 36 7.159 -13.543 37.735 281 HB2 ASN 36 HB2 ASN 36 5.986 -12.535 35.178 282 HB3 ASN 36 HB3 ASN 36 6.490 -11.362 36.391 283 HD21 ASN 36 HD21 ASN 36 8.724 -12.252 37.422 284 HD22 ASN 36 HD22 ASN 36 9.946 -12.492 36.225 285 H ARG 37 H ARG 37 3.786 -13.319 36.700 286 HA ARG 37 HA ARG 37 3.132 -12.193 39.332 287 HB2 ARG 37 HB2 ARG 37 2.389 -11.116 36.637 288 HB3 ARG 37 HB3 ARG 37 1.289 -10.899 37.992 289 HG2 ARG 37 HG2 ARG 37 4.172 -10.095 38.163 290 HG3 ARG 37 HG3 ARG 37 2.942 -9.026 37.484 291 HD2 ARG 37 HD2 ARG 37 2.610 -10.289 40.186 292 HD3 ARG 37 HD3 ARG 37 3.512 -8.789 39.976 293 HE ARG 37 HE ARG 37 0.687 -9.090 39.966 294 HH11 ARG 37 HH11 ARG 37 3.290 -7.276 38.533 295 HH12 ARG 37 HH12 ARG 37 2.313 -5.884 38.203 296 HH21 ARG 37 HH21 ARG 37 -0.610 -7.264 39.537 297 HH22 ARG 37 HH22 ARG 37 0.094 -5.878 38.776 298 H LEU 38 H LEU 38 1.785 -13.525 40.329 299 HA LEU 38 HA LEU 38 -0.098 -15.104 38.705 300 HB2 LEU 38 HB2 LEU 38 1.783 -16.194 40.163 301 HB3 LEU 38 HB3 LEU 38 0.667 -15.867 41.487 302 HG LEU 38 HG LEU 38 0.473 -18.166 40.686 303 HD11 LEU 38 HD11 LEU 38 -1.861 -18.263 40.642 304 HD12 LEU 38 HD12 LEU 38 -2.002 -16.704 39.829 305 HD13 LEU 38 HD13 LEU 38 -1.503 -16.775 41.519 306 HD21 LEU 38 HD21 LEU 38 -0.466 -16.988 38.076 307 HD22 LEU 38 HD22 LEU 38 -0.288 -18.696 38.479 308 HD23 LEU 38 HD23 LEU 38 1.140 -17.669 38.336 309 H GLU 39 H GLU 39 0.303 -13.404 41.793 310 HA GLU 39 HA GLU 39 -2.460 -13.588 42.497 311 HB2 GLU 39 HB2 GLU 39 -0.079 -12.137 43.573 312 HB3 GLU 39 HB3 GLU 39 -1.683 -11.639 44.094 313 HG2 GLU 39 HG2 GLU 39 -0.872 -13.170 45.700 314 HG3 GLU 39 HG3 GLU 39 -2.108 -14.009 44.764 Start of MODEL 19 1 H1 MET 1 H MET 1 4.124 -0.304 -1.481 2 HA MET 1 HA MET 1 2.310 -0.325 -3.475 3 HB2 MET 1 HB2 MET 1 3.462 -1.604 -5.325 4 HB3 MET 1 HB3 MET 1 3.910 0.091 -5.180 5 HG2 MET 1 HG2 MET 1 6.038 -0.377 -4.645 6 HG3 MET 1 HG3 MET 1 5.597 -1.780 -3.674 7 HE1 MET 1 HE1 MET 1 8.070 -2.571 -4.898 8 HE2 MET 1 HE2 MET 1 6.914 -3.753 -4.285 9 HE3 MET 1 HE3 MET 1 7.674 -3.996 -5.858 10 H ILE 2 H ILE 2 1.355 -1.633 -1.907 11 HA ILE 2 HA ILE 2 2.533 -4.267 -1.427 12 HB ILE 2 HB ILE 2 1.756 -3.028 0.536 13 HG12 ILE 2 HG12 ILE 2 0.395 -4.802 1.536 14 HG13 ILE 2 HG13 ILE 2 0.013 -5.429 -0.064 15 HG21 ILE 2 HG21 ILE 2 -0.378 -2.312 -1.105 16 HG22 ILE 2 HG22 ILE 2 -1.083 -3.341 0.140 17 HG23 ILE 2 HG23 ILE 2 -0.164 -1.908 0.598 18 HD11 ILE 2 HD11 ILE 2 2.854 -5.249 0.278 19 HD12 ILE 2 HD12 ILE 2 2.126 -6.169 1.595 20 HD13 ILE 2 HD13 ILE 2 1.850 -6.655 -0.078 21 H SER 3 H SER 3 1.766 -6.084 -2.307 22 HA SER 3 HA SER 3 -0.697 -5.894 -3.908 23 HB2 SER 3 HB2 SER 3 1.485 -6.410 -5.093 24 HB3 SER 3 HB3 SER 3 1.497 -7.948 -4.230 25 HG SER 3 HG SER 3 -0.320 -7.023 -6.179 26 H ASP 4 H ASP 4 -1.604 -8.269 -4.261 27 HA ASP 4 HA ASP 4 -2.634 -9.081 -1.750 28 HB2 ASP 4 HB2 ASP 4 -3.959 -9.329 -3.768 29 HB3 ASP 4 HB3 ASP 4 -2.761 -10.419 -4.460 30 H GLU 5 H GLU 5 -0.287 -10.551 -3.971 31 HA GLU 5 HA GLU 5 0.165 -12.876 -2.431 32 HB2 GLU 5 HB2 GLU 5 2.224 -13.113 -3.796 33 HB3 GLU 5 HB3 GLU 5 0.785 -12.822 -4.763 34 HG2 GLU 5 HG2 GLU 5 1.425 -10.430 -4.897 35 HG3 GLU 5 HG3 GLU 5 2.924 -10.828 -4.060 36 H GLN 6 H GLN 6 1.804 -9.740 -2.560 37 HA GLN 6 HA GLN 6 3.854 -10.427 -0.719 38 HB2 GLN 6 HB2 GLN 6 4.175 -8.586 -2.249 39 HB3 GLN 6 HB3 GLN 6 2.774 -7.746 -1.597 40 HG2 GLN 6 HG2 GLN 6 4.764 -6.723 -0.752 41 HG3 GLN 6 HG3 GLN 6 3.943 -7.554 0.568 42 HE21 GLN 6 HE21 GLN 6 5.159 -8.771 1.818 43 HE22 GLN 6 HE22 GLN 6 6.695 -9.443 1.404 44 H LEU 7 H LEU 7 0.742 -8.765 -0.388 45 HA LEU 7 HA LEU 7 0.980 -8.100 2.330 46 HB2 LEU 7 HB2 LEU 7 -0.699 -7.131 0.838 47 HB3 LEU 7 HB3 LEU 7 -1.504 -8.695 0.727 48 HG LEU 7 HG LEU 7 -2.036 -8.566 3.129 49 HD11 LEU 7 HD11 LEU 7 -0.744 -5.853 2.919 50 HD12 LEU 7 HD12 LEU 7 -0.232 -7.205 3.929 51 HD13 LEU 7 HD13 LEU 7 -1.753 -6.378 4.267 52 HD21 LEU 7 HD21 LEU 7 -2.982 -6.024 1.863 53 HD22 LEU 7 HD22 LEU 7 -3.868 -7.166 2.874 54 HD23 LEU 7 HD23 LEU 7 -3.465 -7.590 1.209 55 H ASN 8 H ASN 8 -0.685 -10.855 0.795 56 HA ASN 8 HA ASN 8 -1.435 -12.135 3.174 57 HB2 ASN 8 HB2 ASN 8 -2.107 -12.575 0.668 58 HB3 ASN 8 HB3 ASN 8 -0.773 -13.724 0.723 59 HD21 ASN 8 HD21 ASN 8 -4.015 -13.153 1.476 60 HD22 ASN 8 HD22 ASN 8 -4.323 -14.609 2.353 61 H SER 9 H SER 9 1.384 -12.666 1.071 62 HA SER 9 HA SER 9 2.567 -14.758 2.440 63 HB2 SER 9 HB2 SER 9 3.465 -14.103 0.322 64 HB3 SER 9 HB3 SER 9 3.814 -12.475 0.901 65 HG SER 9 HG SER 9 4.985 -14.596 2.273 66 H LEU 10 H LEU 10 3.037 -11.269 2.944 67 HA LEU 10 HA LEU 10 4.866 -11.514 5.074 68 HB2 LEU 10 HB2 LEU 10 4.252 -9.467 3.629 69 HB3 LEU 10 HB3 LEU 10 2.953 -9.224 4.795 70 HG LEU 10 HG LEU 10 5.732 -9.497 5.825 71 HD11 LEU 10 HD11 LEU 10 5.064 -6.743 5.260 72 HD12 LEU 10 HD12 LEU 10 5.196 -7.696 3.782 73 HD13 LEU 10 HD13 LEU 10 6.544 -7.639 4.918 74 HD21 LEU 10 HD21 LEU 10 4.185 -9.256 7.530 75 HD22 LEU 10 HD22 LEU 10 3.190 -8.128 6.609 76 HD23 LEU 10 HD23 LEU 10 4.734 -7.599 7.279 77 H ALA 11 H ALA 11 1.347 -11.321 4.972 78 HA ALA 11 HA ALA 11 0.834 -10.973 7.691 79 HB1 ALA 11 HB1 ALA 11 -0.869 -10.795 5.922 80 HB2 ALA 11 HB2 ALA 11 -0.818 -12.547 5.719 81 HB3 ALA 11 HB3 ALA 11 -1.377 -11.852 7.240 82 H ILE 12 H ILE 12 0.907 -14.032 5.853 83 HA ILE 12 HA ILE 12 0.633 -15.706 8.100 84 HB ILE 12 HB ILE 12 1.499 -17.510 6.624 85 HG12 ILE 12 HG12 ILE 12 1.853 -15.224 4.674 86 HG13 ILE 12 HG13 ILE 12 3.125 -16.244 5.337 87 HG21 ILE 12 HG21 ILE 12 -0.407 -16.091 4.881 88 HG22 ILE 12 HG22 ILE 12 -0.498 -17.701 5.593 89 HG23 ILE 12 HG23 ILE 12 -0.896 -16.284 6.565 90 HD11 ILE 12 HD11 ILE 12 2.887 -17.303 3.370 91 HD12 ILE 12 HD12 ILE 12 1.574 -18.122 4.218 92 HD13 ILE 12 HD13 ILE 12 1.223 -16.761 3.153 93 H THR 13 H THR 13 3.464 -14.409 6.445 94 HA THR 13 HA THR 13 5.463 -15.923 7.631 95 HB THR 13 HB THR 13 5.536 -13.013 6.815 96 HG1 THR 13 HG1 THR 13 6.565 -15.294 5.461 97 HG21 THR 13 HG21 THR 13 7.643 -14.849 7.854 98 HG22 THR 13 HG22 THR 13 7.426 -13.118 8.117 99 HG23 THR 13 HG23 THR 13 8.071 -13.704 6.584 100 H PHE 14 H PHE 14 4.415 -12.672 8.678 101 HA PHE 14 HA PHE 14 5.832 -12.715 11.105 102 HB2 PHE 14 HB2 PHE 14 3.591 -11.070 10.002 103 HB3 PHE 14 HB3 PHE 14 3.987 -10.929 11.712 104 HD1 PHE 14 HD1 PHE 14 5.142 -8.987 12.097 105 HD2 PHE 14 HD2 PHE 14 6.063 -11.281 8.631 106 HE1 PHE 14 HE1 PHE 14 6.958 -7.421 11.547 107 HE2 PHE 14 HE2 PHE 14 7.881 -9.718 8.076 108 HZ PHE 14 HZ PHE 14 8.329 -7.784 9.534 109 H GLY 15 H GLY 15 2.592 -13.776 10.248 110 HA2 GLY 15 HA2 GLY 15 1.471 -14.076 12.773 111 HA3 GLY 15 HA3 GLY 15 1.076 -15.074 11.381 112 H ILE 16 H ILE 16 3.196 -16.571 10.896 113 HA ILE 16 HA ILE 16 3.181 -18.459 13.015 114 HB ILE 16 HB ILE 16 4.700 -18.273 10.432 115 HG12 ILE 16 HG12 ILE 16 3.439 -20.534 10.189 116 HG13 ILE 16 HG13 ILE 16 2.483 -19.965 11.553 117 HG21 ILE 16 HG21 ILE 16 6.327 -19.289 11.763 118 HG22 ILE 16 HG22 ILE 16 5.134 -20.196 12.691 119 HG23 ILE 16 HG23 ILE 16 5.477 -20.644 11.020 120 HD11 ILE 16 HD11 ILE 16 1.414 -19.494 9.409 121 HD12 ILE 16 HD12 ILE 16 1.802 -18.015 10.288 122 HD13 ILE 16 HD13 ILE 16 2.808 -18.525 8.932 123 H VAL 17 H VAL 17 5.634 -16.205 11.797 124 HA VAL 17 HA VAL 17 7.773 -16.965 13.396 125 HB VAL 17 HB VAL 17 7.032 -14.217 12.390 126 HG11 VAL 17 HG11 VAL 17 9.511 -15.205 13.771 127 HG12 VAL 17 HG12 VAL 17 9.518 -13.784 12.724 128 HG13 VAL 17 HG13 VAL 17 8.512 -13.809 14.173 129 HG21 VAL 17 HG21 VAL 17 7.675 -16.357 10.912 130 HG22 VAL 17 HG22 VAL 17 8.128 -14.711 10.469 131 HG23 VAL 17 HG23 VAL 17 9.294 -15.759 11.275 132 H MET 18 H MET 18 5.295 -14.492 14.059 133 HA MET 18 HA MET 18 6.248 -13.825 16.630 134 HB2 MET 18 HB2 MET 18 3.468 -13.558 15.471 135 HB3 MET 18 HB3 MET 18 4.023 -12.788 16.952 136 HG2 MET 18 HG2 MET 18 5.441 -11.337 15.812 137 HG3 MET 18 HG3 MET 18 5.427 -12.324 14.352 138 HE1 MET 18 HE1 MET 18 4.222 -9.595 16.321 139 HE2 MET 18 HE2 MET 18 2.924 -8.822 15.410 140 HE3 MET 18 HE3 MET 18 2.555 -10.129 16.537 141 H MET 19 H MET 19 3.603 -15.970 15.592 142 HA MET 19 HA MET 19 2.726 -16.787 18.092 143 HB2 MET 19 HB2 MET 19 2.562 -17.825 15.346 144 HB3 MET 19 HB3 MET 19 2.405 -19.053 16.594 145 HG2 MET 19 HG2 MET 19 0.239 -18.179 15.895 146 HG3 MET 19 HG3 MET 19 0.564 -17.847 17.595 147 HE1 MET 19 HE1 MET 19 -1.368 -16.182 17.657 148 HE2 MET 19 HE2 MET 19 -0.015 -15.526 18.579 149 HE3 MET 19 HE3 MET 19 -0.950 -14.474 17.515 150 H THR 20 H THR 20 5.251 -18.229 16.048 151 HA THR 20 HA THR 20 5.904 -20.359 17.754 152 HB THR 20 HB THR 20 7.806 -18.931 15.889 153 HG1 THR 20 HG1 THR 20 5.744 -20.810 15.421 154 HG21 THR 20 HG21 THR 20 8.046 -21.236 17.584 155 HG22 THR 20 HG22 THR 20 9.262 -20.480 16.555 156 HG23 THR 20 HG23 THR 20 8.193 -21.717 15.894 157 H LEU 21 H LEU 21 7.516 -17.200 17.366 158 HA LEU 21 HA LEU 21 9.457 -17.472 19.309 159 HB2 LEU 21 HB2 LEU 21 8.095 -15.235 17.984 160 HB3 LEU 21 HB3 LEU 21 8.800 -14.842 19.551 161 HG LEU 21 HG LEU 21 10.339 -14.283 17.770 162 HD11 LEU 21 HD11 LEU 21 11.929 -16.485 18.580 163 HD12 LEU 21 HD12 LEU 21 10.907 -16.022 19.940 164 HD13 LEU 21 HD13 LEU 21 11.957 -14.826 19.180 165 HD21 LEU 21 HD21 LEU 21 9.942 -17.151 16.964 166 HD22 LEU 21 HD22 LEU 21 11.343 -16.209 16.451 167 HD23 LEU 21 HD23 LEU 21 9.718 -15.696 15.993 168 H ILE 22 H ILE 22 6.096 -16.433 19.678 169 HA ILE 22 HA ILE 22 6.261 -15.787 22.425 170 HB ILE 22 HB ILE 22 3.855 -16.641 20.810 171 HG12 ILE 22 HG12 ILE 22 4.402 -13.825 21.637 172 HG13 ILE 22 HG13 ILE 22 5.306 -14.485 20.279 173 HG21 ILE 22 HG21 ILE 22 2.747 -15.190 22.695 174 HG22 ILE 22 HG22 ILE 22 3.095 -16.898 22.957 175 HG23 ILE 22 HG23 ILE 22 4.179 -15.668 23.606 176 HD11 ILE 22 HD11 ILE 22 2.886 -15.196 19.491 177 HD12 ILE 22 HD12 ILE 22 2.430 -13.828 20.508 178 HD13 ILE 22 HD13 ILE 22 3.548 -13.594 19.164 179 H VAL 23 H VAL 23 5.343 -18.747 20.711 180 HA VAL 23 HA VAL 23 4.603 -20.221 23.011 181 HB VAL 23 HB VAL 23 5.571 -21.227 20.332 182 HG11 VAL 23 HG11 VAL 23 4.769 -22.592 22.790 183 HG12 VAL 23 HG12 VAL 23 3.901 -23.135 21.352 184 HG13 VAL 23 HG13 VAL 23 5.663 -23.197 21.395 185 HG21 VAL 23 HG21 VAL 23 3.582 -20.667 19.519 186 HG22 VAL 23 HG22 VAL 23 2.774 -21.580 20.793 187 HG23 VAL 23 HG23 VAL 23 3.195 -19.887 21.053 188 H ILE 24 H ILE 24 7.651 -19.805 21.291 189 HA ILE 24 HA ILE 24 9.076 -21.796 22.742 190 HB ILE 24 HB ILE 24 10.126 -19.415 21.209 191 HG12 ILE 24 HG12 ILE 24 10.118 -22.279 20.289 192 HG13 ILE 24 HG13 ILE 24 8.721 -21.241 20.026 193 HG21 ILE 24 HG21 ILE 24 12.220 -20.816 21.104 194 HG22 ILE 24 HG22 ILE 24 11.841 -20.122 22.679 195 HG23 ILE 24 HG23 ILE 24 11.508 -21.825 22.362 196 HD11 ILE 24 HD11 ILE 24 11.488 -20.531 19.104 197 HD12 ILE 24 HD12 ILE 24 10.326 -21.413 18.113 198 HD13 ILE 24 HD13 ILE 24 9.962 -19.773 18.650 199 H TYR 25 H TYR 25 9.050 -18.238 22.945 200 HA TYR 25 HA TYR 25 10.780 -18.004 25.126 201 HB2 TYR 25 HB2 TYR 25 10.207 -16.076 23.782 202 HB3 TYR 25 HB3 TYR 25 8.513 -16.209 24.241 203 HD1 TYR 25 HD1 TYR 25 7.867 -14.488 25.625 204 HD2 TYR 25 HD2 TYR 25 11.744 -16.165 26.132 205 HE1 TYR 25 HE1 TYR 25 8.262 -12.982 27.529 206 HE2 TYR 25 HE2 TYR 25 12.150 -14.664 28.038 207 HH TYR 25 HH TYR 25 9.641 -12.779 29.460 208 H HIS 26 H HIS 26 7.251 -18.305 25.018 209 HA HIS 26 HA HIS 26 6.862 -18.076 27.818 210 HB2 HIS 26 HB2 HIS 26 5.115 -17.770 25.991 211 HB3 HIS 26 HB3 HIS 26 5.037 -19.527 25.902 212 HD1 HIS 26 HD1 HIS 26 4.945 -17.067 28.817 213 HD2 HIS 26 HD2 HIS 26 2.889 -20.345 27.303 214 HE1 HIS 26 HE1 HIS 26 3.080 -17.502 30.446 215 H ALA 27 H ALA 27 7.269 -20.832 25.642 216 HA ALA 27 HA ALA 27 6.719 -22.891 27.440 217 HB1 ALA 27 HB1 ALA 27 6.894 -23.682 25.308 218 HB2 ALA 27 HB2 ALA 27 8.288 -22.672 24.927 219 HB3 ALA 27 HB3 ALA 27 8.492 -24.119 25.913 220 H VAL 28 H VAL 28 9.896 -21.514 26.574 221 HA VAL 28 HA VAL 28 11.329 -22.984 28.526 222 HB VAL 28 HB VAL 28 12.450 -22.052 26.572 223 HG11 VAL 28 HG11 VAL 28 12.266 -19.309 27.758 224 HG12 VAL 28 HG12 VAL 28 12.662 -19.788 26.106 225 HG13 VAL 28 HG13 VAL 28 11.001 -19.912 26.687 226 HG21 VAL 28 HG21 VAL 28 13.484 -20.821 29.125 227 HG22 VAL 28 HG22 VAL 28 13.744 -22.491 28.620 228 HG23 VAL 28 HG23 VAL 28 14.424 -21.168 27.673 229 H ASP 29 H ASP 29 9.796 -19.821 28.522 230 HA ASP 29 HA ASP 29 10.910 -18.781 30.866 231 HB2 ASP 29 HB2 ASP 29 9.663 -17.327 29.437 232 HB3 ASP 29 HB3 ASP 29 8.222 -18.332 29.567 233 H SER 30 H SER 30 8.048 -20.810 30.380 234 HA SER 30 HA SER 30 7.413 -20.866 33.187 235 HB2 SER 30 HB2 SER 30 6.329 -22.356 30.795 236 HB3 SER 30 HB3 SER 30 5.759 -22.651 32.438 237 HG SER 30 HG SER 30 4.822 -20.722 32.483 238 H THR 31 H THR 31 9.010 -22.983 30.873 239 HA THR 31 HA THR 31 9.207 -25.260 32.527 240 HB THR 31 HB THR 31 11.016 -24.396 30.262 241 HG1 THR 31 HG1 THR 31 9.009 -26.379 30.121 242 HG21 THR 31 HG21 THR 31 10.684 -27.069 31.628 243 HG22 THR 31 HG22 THR 31 12.129 -26.058 31.618 244 HG23 THR 31 HG23 THR 31 11.571 -26.814 30.125 245 H MET 32 H MET 32 11.224 -22.403 32.154 246 HA MET 32 HA MET 32 13.399 -23.392 33.712 247 HB2 MET 32 HB2 MET 32 13.662 -21.584 32.056 248 HB3 MET 32 HB3 MET 32 12.649 -20.540 33.045 249 HG2 MET 32 HG2 MET 32 14.274 -20.201 34.607 250 HG3 MET 32 HG3 MET 32 15.053 -21.750 34.293 251 HE1 MET 32 HE1 MET 32 17.293 -21.865 32.348 252 HE2 MET 32 HE2 MET 32 18.133 -20.461 33.007 253 HE3 MET 32 HE3 MET 32 17.189 -21.505 34.071 254 H SER 33 H SER 33 10.626 -21.291 34.386 255 HA SER 33 HA SER 33 10.802 -21.985 37.201 256 HB2 SER 33 HB2 SER 33 10.392 -19.111 36.934 257 HB3 SER 33 HB3 SER 33 11.485 -19.996 37.999 258 HG SER 33 HG SER 33 12.476 -18.589 36.358 259 HA PRO 34 HA PRO 34 6.423 -21.782 37.059 260 HB2 PRO 34 HB2 PRO 34 5.798 -20.848 39.530 261 HB3 PRO 34 HB3 PRO 34 6.413 -22.480 39.247 262 HG2 PRO 34 HG2 PRO 34 7.877 -20.037 40.171 263 HG3 PRO 34 HG3 PRO 34 7.999 -21.705 40.761 264 HD2 PRO 34 HD2 PRO 34 9.808 -20.625 39.059 265 HD3 PRO 34 HD3 PRO 34 9.382 -22.348 39.033 266 H LYS 35 H LYS 35 4.507 -20.291 37.558 267 HA LYS 35 HA LYS 35 5.237 -17.548 36.773 268 HB2 LYS 35 HB2 LYS 35 2.825 -17.474 35.938 269 HB3 LYS 35 HB3 LYS 35 3.952 -18.473 35.029 270 HG2 LYS 35 HG2 LYS 35 2.831 -20.353 35.479 271 HG3 LYS 35 HG3 LYS 35 2.556 -19.902 37.163 272 HD2 LYS 35 HD2 LYS 35 0.441 -20.066 35.989 273 HD3 LYS 35 HD3 LYS 35 0.753 -18.388 36.440 274 HE2 LYS 35 HE2 LYS 35 1.146 -17.738 34.266 275 HE3 LYS 35 HE3 LYS 35 1.614 -19.359 33.754 276 HZ1 LYS 35 HZ1 LYS 35 -0.603 -20.041 33.654 277 HZ2 LYS 35 HZ2 LYS 35 -0.618 -18.496 32.966 278 HZ3 LYS 35 HZ3 LYS 35 -1.161 -18.720 34.552 279 H ASN 36 H ASN 36 5.319 -16.396 38.619 280 HA ASN 36 HA ASN 36 3.651 -16.849 40.866 281 HB2 ASN 36 HB2 ASN 36 5.595 -14.730 40.053 282 HB3 ASN 36 HB3 ASN 36 4.503 -14.401 41.396 283 HD21 ASN 36 HD21 ASN 36 4.974 -15.195 43.342 284 HD22 ASN 36 HD22 ASN 36 6.268 -16.289 43.681 285 H ARG 37 H ARG 37 2.444 -14.793 41.793 286 HA ARG 37 HA ARG 37 0.289 -14.286 39.936 287 HB2 ARG 37 HB2 ARG 37 -0.842 -13.264 41.846 288 HB3 ARG 37 HB3 ARG 37 -0.200 -14.845 42.272 289 HG2 ARG 37 HG2 ARG 37 1.702 -13.774 43.376 290 HG3 ARG 37 HG3 ARG 37 1.045 -12.190 42.956 291 HD2 ARG 37 HD2 ARG 37 0.339 -12.514 45.152 292 HD3 ARG 37 HD3 ARG 37 -1.068 -12.967 44.192 293 HE ARG 37 HE ARG 37 0.561 -15.225 44.742 294 HH11 ARG 37 HH11 ARG 37 -1.762 -13.072 46.188 295 HH12 ARG 37 HH12 ARG 37 -2.323 -14.239 47.338 296 HH21 ARG 37 HH21 ARG 37 -0.170 -16.771 46.252 297 HH22 ARG 37 HH22 ARG 37 -1.416 -16.343 47.374 298 H LEU 38 H LEU 38 2.849 -12.464 41.524 299 HA LEU 38 HA LEU 38 2.269 -10.216 39.722 300 HB2 LEU 38 HB2 LEU 38 2.923 -8.666 41.545 301 HB3 LEU 38 HB3 LEU 38 1.421 -9.538 41.846 302 HG LEU 38 HG LEU 38 3.001 -11.152 43.190 303 HD11 LEU 38 HD11 LEU 38 5.081 -10.483 43.563 304 HD12 LEU 38 HD12 LEU 38 4.527 -8.901 44.109 305 HD13 LEU 38 HD13 LEU 38 4.828 -9.186 42.395 306 HD21 LEU 38 HD21 LEU 38 1.680 -8.608 43.918 307 HD22 LEU 38 HD22 LEU 38 2.766 -9.313 45.116 308 HD23 LEU 38 HD23 LEU 38 1.397 -10.246 44.509 309 H GLU 39 H GLU 39 4.041 -9.124 38.919 310 HA GLU 39 HA GLU 39 6.491 -10.582 38.847 311 HB2 GLU 39 HB2 GLU 39 5.476 -9.135 36.994 312 HB3 GLU 39 HB3 GLU 39 6.110 -7.755 37.879 313 HG2 GLU 39 HG2 GLU 39 7.588 -8.459 36.062 314 HG3 GLU 39 HG3 GLU 39 8.362 -8.583 37.640 Start of MODEL 20 1 H1 MET 1 H MET 1 3.936 0.393 -4.571 2 HA MET 1 HA MET 1 4.810 -1.807 -5.702 3 HB2 MET 1 HB2 MET 1 5.621 -0.581 -3.107 4 HB3 MET 1 HB3 MET 1 6.352 -2.114 -3.564 5 HG2 MET 1 HG2 MET 1 7.280 -1.184 -5.536 6 HG3 MET 1 HG3 MET 1 6.342 0.297 -5.353 7 HE1 MET 1 HE1 MET 1 6.797 0.856 -2.074 8 HE2 MET 1 HE2 MET 1 8.014 2.093 -2.391 9 HE3 MET 1 HE3 MET 1 6.607 1.949 -3.446 10 H ILE 2 H ILE 2 3.442 -1.884 -2.417 11 HA ILE 2 HA ILE 2 3.639 -4.667 -2.061 12 HB ILE 2 HB ILE 2 3.257 -3.122 -0.194 13 HG12 ILE 2 HG12 ILE 2 1.591 -4.470 1.005 14 HG13 ILE 2 HG13 ILE 2 1.026 -5.142 -0.521 15 HG21 ILE 2 HG21 ILE 2 1.687 -1.633 -1.426 16 HG22 ILE 2 HG22 ILE 2 0.437 -2.859 -1.220 17 HG23 ILE 2 HG23 ILE 2 1.140 -2.071 0.193 18 HD11 ILE 2 HD11 ILE 2 2.473 -6.692 0.674 19 HD12 ILE 2 HD12 ILE 2 3.185 -6.203 -0.863 20 HD13 ILE 2 HD13 ILE 2 3.776 -5.505 0.645 21 H SER 3 H SER 3 2.367 -6.338 -2.632 22 HA SER 3 HA SER 3 -0.063 -5.715 -4.178 23 HB2 SER 3 HB2 SER 3 2.057 -6.877 -5.256 24 HB3 SER 3 HB3 SER 3 1.366 -8.319 -4.514 25 HG SER 3 HG SER 3 0.369 -6.720 -6.579 26 H ASP 4 H ASP 4 -1.476 -7.848 -4.303 27 HA ASP 4 HA ASP 4 -2.480 -8.271 -1.693 28 HB2 ASP 4 HB2 ASP 4 -3.933 -8.365 -3.651 29 HB3 ASP 4 HB3 ASP 4 -3.051 -9.762 -4.263 30 H GLU 5 H GLU 5 -0.633 -10.345 -3.905 31 HA GLU 5 HA GLU 5 -0.567 -12.602 -2.206 32 HB2 GLU 5 HB2 GLU 5 1.295 -13.364 -3.656 33 HB3 GLU 5 HB3 GLU 5 -0.114 -12.840 -4.566 34 HG2 GLU 5 HG2 GLU 5 1.223 -10.543 -4.550 35 HG3 GLU 5 HG3 GLU 5 2.587 -11.649 -4.392 36 H GLN 6 H GLN 6 1.663 -9.894 -2.677 37 HA GLN 6 HA GLN 6 3.676 -10.856 -0.935 38 HB2 GLN 6 HB2 GLN 6 3.065 -8.005 -1.729 39 HB3 GLN 6 HB3 GLN 6 4.567 -8.577 -1.016 40 HG2 GLN 6 HG2 GLN 6 3.470 -9.406 -3.694 41 HG3 GLN 6 HG3 GLN 6 4.764 -8.239 -3.424 42 HE21 GLN 6 HE21 GLN 6 6.772 -8.969 -3.418 43 HE22 GLN 6 HE22 GLN 6 7.245 -10.624 -3.278 44 H LEU 7 H LEU 7 0.987 -8.588 -0.471 45 HA LEU 7 HA LEU 7 1.554 -7.905 2.190 46 HB2 LEU 7 HB2 LEU 7 -0.026 -6.703 0.719 47 HB3 LEU 7 HB3 LEU 7 -1.142 -8.060 0.848 48 HG LEU 7 HG LEU 7 -0.263 -6.722 3.356 49 HD11 LEU 7 HD11 LEU 7 -2.274 -5.568 1.431 50 HD12 LEU 7 HD12 LEU 7 -0.765 -4.824 1.958 51 HD13 LEU 7 HD13 LEU 7 -2.077 -5.067 3.110 52 HD21 LEU 7 HD21 LEU 7 -2.649 -8.211 2.342 53 HD22 LEU 7 HD22 LEU 7 -2.794 -7.152 3.745 54 HD23 LEU 7 HD23 LEU 7 -1.667 -8.509 3.777 55 H ASN 8 H ASN 8 -0.699 -10.342 0.893 56 HA ASN 8 HA ASN 8 -1.539 -11.360 3.363 57 HB2 ASN 8 HB2 ASN 8 -2.730 -11.840 1.285 58 HB3 ASN 8 HB3 ASN 8 -1.350 -12.754 0.684 59 HD21 ASN 8 HD21 ASN 8 -4.036 -12.721 2.872 60 HD22 ASN 8 HD22 ASN 8 -3.986 -14.398 3.285 61 H SER 9 H SER 9 1.022 -12.495 1.171 62 HA SER 9 HA SER 9 1.872 -14.706 2.602 63 HB2 SER 9 HB2 SER 9 2.784 -14.390 0.436 64 HB3 SER 9 HB3 SER 9 3.377 -12.778 0.835 65 HG SER 9 HG SER 9 5.095 -14.208 0.895 66 H LEU 10 H LEU 10 3.001 -11.345 2.882 67 HA LEU 10 HA LEU 10 4.872 -11.823 4.934 68 HB2 LEU 10 HB2 LEU 10 3.583 -9.479 3.705 69 HB3 LEU 10 HB3 LEU 10 4.160 -9.246 5.355 70 HG LEU 10 HG LEU 10 5.765 -8.527 3.596 71 HD11 LEU 10 HD11 LEU 10 6.636 -9.001 5.755 72 HD12 LEU 10 HD12 LEU 10 7.719 -9.748 4.582 73 HD13 LEU 10 HD13 LEU 10 6.565 -10.741 5.472 74 HD21 LEU 10 HD21 LEU 10 6.627 -11.263 3.022 75 HD22 LEU 10 HD22 LEU 10 6.486 -9.867 1.953 76 HD23 LEU 10 HD23 LEU 10 5.062 -10.840 2.326 77 H ALA 11 H ALA 11 1.443 -11.016 4.984 78 HA ALA 11 HA ALA 11 1.160 -10.446 7.704 79 HB1 ALA 11 HB1 ALA 11 -0.792 -11.646 5.749 80 HB2 ALA 11 HB2 ALA 11 -1.224 -11.113 7.374 81 HB3 ALA 11 HB3 ALA 11 -0.623 -9.948 6.194 82 H ILE 12 H ILE 12 0.565 -13.541 6.028 83 HA ILE 12 HA ILE 12 0.110 -15.037 8.368 84 HB ILE 12 HB ILE 12 0.555 -17.031 6.950 85 HG12 ILE 12 HG12 ILE 12 1.213 -14.935 4.871 86 HG13 ILE 12 HG13 ILE 12 2.312 -16.143 5.529 87 HG21 ILE 12 HG21 ILE 12 -1.149 -15.566 5.128 88 HG22 ILE 12 HG22 ILE 12 -1.549 -16.874 6.241 89 HG23 ILE 12 HG23 ILE 12 -1.529 -15.205 6.812 90 HD11 ILE 12 HD11 ILE 12 1.765 -17.137 3.563 91 HD12 ILE 12 HD12 ILE 12 0.487 -17.797 4.585 92 HD13 ILE 12 HD13 ILE 12 0.150 -16.429 3.524 93 H THR 13 H THR 13 3.040 -14.360 6.526 94 HA THR 13 HA THR 13 4.784 -16.166 7.712 95 HB THR 13 HB THR 13 5.359 -13.368 6.721 96 HG1 THR 13 HG1 THR 13 5.390 -15.945 5.531 97 HG21 THR 13 HG21 THR 13 7.681 -14.703 6.402 98 HG22 THR 13 HG22 THR 13 7.096 -15.450 7.889 99 HG23 THR 13 HG23 THR 13 7.317 -13.703 7.808 100 H PHE 14 H PHE 14 4.335 -12.742 8.619 101 HA PHE 14 HA PHE 14 5.879 -12.906 10.972 102 HB2 PHE 14 HB2 PHE 14 3.961 -10.944 9.816 103 HB3 PHE 14 HB3 PHE 14 4.331 -10.803 11.531 104 HD1 PHE 14 HD1 PHE 14 5.823 -9.108 11.911 105 HD2 PHE 14 HD2 PHE 14 6.365 -11.602 8.505 106 HE1 PHE 14 HE1 PHE 14 7.896 -7.903 11.363 107 HE2 PHE 14 HE2 PHE 14 8.440 -10.402 7.952 108 HZ PHE 14 HZ PHE 14 9.208 -8.548 9.381 109 H GLY 15 H GLY 15 2.478 -13.464 10.316 110 HA2 GLY 15 HA2 GLY 15 1.463 -13.420 12.913 111 HA3 GLY 15 HA3 GLY 15 0.814 -14.388 11.597 112 H ILE 16 H ILE 16 2.610 -16.260 11.085 113 HA ILE 16 HA ILE 16 2.387 -18.015 13.311 114 HB ILE 16 HB ILE 16 3.739 -18.247 10.638 115 HG12 ILE 16 HG12 ILE 16 2.036 -20.216 10.592 116 HG13 ILE 16 HG13 ILE 16 1.294 -19.390 11.958 117 HG21 ILE 16 HG21 ILE 16 3.953 -20.073 12.998 118 HG22 ILE 16 HG22 ILE 16 4.007 -20.720 11.359 119 HG23 ILE 16 HG23 ILE 16 5.208 -19.538 11.880 120 HD11 ILE 16 HD11 ILE 16 0.933 -17.421 10.612 121 HD12 ILE 16 HD12 ILE 16 1.766 -18.170 9.250 122 HD13 ILE 16 HD13 ILE 16 0.235 -18.834 9.820 123 H VAL 17 H VAL 17 5.168 -16.450 11.737 124 HA VAL 17 HA VAL 17 7.200 -17.488 13.308 125 HB VAL 17 HB VAL 17 6.992 -14.747 12.060 126 HG11 VAL 17 HG11 VAL 17 9.169 -16.062 13.597 127 HG12 VAL 17 HG12 VAL 17 9.609 -15.090 12.191 128 HG13 VAL 17 HG13 VAL 17 8.706 -14.363 13.520 129 HG21 VAL 17 HG21 VAL 17 8.755 -16.878 10.999 130 HG22 VAL 17 HG22 VAL 17 7.019 -17.073 10.757 131 HG23 VAL 17 HG23 VAL 17 7.838 -15.635 10.147 132 H MET 18 H MET 18 5.450 -14.418 13.799 133 HA MET 18 HA MET 18 6.672 -13.778 16.248 134 HB2 MET 18 HB2 MET 18 3.992 -12.961 15.119 135 HB3 MET 18 HB3 MET 18 4.711 -12.253 16.558 136 HG2 MET 18 HG2 MET 18 6.332 -12.272 14.079 137 HG3 MET 18 HG3 MET 18 4.964 -11.165 14.161 138 HE1 MET 18 HE1 MET 18 8.832 -10.577 14.717 139 HE2 MET 18 HE2 MET 18 8.863 -11.243 16.349 140 HE3 MET 18 HE3 MET 18 8.247 -12.214 15.012 141 H MET 19 H MET 19 3.566 -15.361 15.541 142 HA MET 19 HA MET 19 2.655 -15.692 18.138 143 HB2 MET 19 HB2 MET 19 1.304 -16.177 16.142 144 HB3 MET 19 HB3 MET 19 2.305 -17.583 15.804 145 HG2 MET 19 HG2 MET 19 0.245 -18.277 16.826 146 HG3 MET 19 HG3 MET 19 1.586 -18.583 17.927 147 HE1 MET 19 HE1 MET 19 -0.202 -17.829 20.881 148 HE2 MET 19 HE2 MET 19 -1.374 -18.410 19.698 149 HE3 MET 19 HE3 MET 19 0.274 -19.039 19.689 150 H THR 20 H THR 20 4.696 -17.877 16.215 151 HA THR 20 HA THR 20 4.963 -19.878 18.173 152 HB THR 20 HB THR 20 7.033 -19.207 16.079 153 HG1 THR 20 HG1 THR 20 4.500 -20.432 15.868 154 HG21 THR 20 HG21 THR 20 6.690 -21.336 17.996 155 HG22 THR 20 HG22 THR 20 8.047 -21.009 16.917 156 HG23 THR 20 HG23 THR 20 6.681 -21.969 16.351 157 H LEU 21 H LEU 21 6.922 -17.020 17.446 158 HA LEU 21 HA LEU 21 9.001 -17.553 19.269 159 HB2 LEU 21 HB2 LEU 21 8.739 -15.775 17.349 160 HB3 LEU 21 HB3 LEU 21 8.166 -14.756 18.667 161 HG LEU 21 HG LEU 21 10.852 -16.125 18.649 162 HD11 LEU 21 HD11 LEU 21 11.838 -14.134 17.892 163 HD12 LEU 21 HD12 LEU 21 10.346 -13.217 18.099 164 HD13 LEU 21 HD13 LEU 21 10.474 -14.413 16.809 165 HD21 LEU 21 HD21 LEU 21 9.470 -14.181 20.455 166 HD22 LEU 21 HD22 LEU 21 11.230 -14.199 20.340 167 HD23 LEU 21 HD23 LEU 21 10.365 -15.645 20.861 168 H ILE 22 H ILE 22 5.870 -16.016 19.629 169 HA ILE 22 HA ILE 22 6.340 -14.941 22.221 170 HB ILE 22 HB ILE 22 3.729 -15.619 20.862 171 HG12 ILE 22 HG12 ILE 22 4.669 -12.824 21.218 172 HG13 ILE 22 HG13 ILE 22 5.509 -13.793 20.013 173 HG21 ILE 22 HG21 ILE 22 2.875 -13.856 22.514 174 HG22 ILE 22 HG22 ILE 22 3.209 -15.472 23.134 175 HG23 ILE 22 HG23 ILE 22 4.362 -14.167 23.408 176 HD11 ILE 22 HD11 ILE 22 2.924 -12.534 19.888 177 HD12 ILE 22 HD12 ILE 22 3.903 -13.234 18.598 178 HD13 ILE 22 HD13 ILE 22 2.815 -14.258 19.535 179 H VAL 23 H VAL 23 4.573 -17.826 21.101 180 HA VAL 23 HA VAL 23 3.916 -18.810 23.647 181 HB VAL 23 HB VAL 23 2.805 -19.645 21.658 182 HG11 VAL 23 HG11 VAL 23 3.929 -21.126 20.080 183 HG12 VAL 23 HG12 VAL 23 4.706 -19.542 20.120 184 HG13 VAL 23 HG13 VAL 23 5.449 -20.911 20.948 185 HG21 VAL 23 HG21 VAL 23 2.487 -21.759 22.439 186 HG22 VAL 23 HG22 VAL 23 4.214 -22.085 22.590 187 HG23 VAL 23 HG23 VAL 23 3.392 -21.103 23.803 188 H ILE 24 H ILE 24 6.779 -19.208 21.648 189 HA ILE 24 HA ILE 24 7.960 -21.279 23.198 190 HB ILE 24 HB ILE 24 9.138 -19.318 21.235 191 HG12 ILE 24 HG12 ILE 24 8.891 -22.303 20.948 192 HG13 ILE 24 HG13 ILE 24 7.548 -21.238 20.550 193 HG21 ILE 24 HG21 ILE 24 10.932 -19.818 22.689 194 HG22 ILE 24 HG22 ILE 24 10.475 -21.518 22.787 195 HG23 ILE 24 HG23 ILE 24 11.136 -20.867 21.287 196 HD11 ILE 24 HD11 ILE 24 10.290 -21.095 19.320 197 HD12 ILE 24 HD12 ILE 24 8.880 -21.863 18.590 198 HD13 ILE 24 HD13 ILE 24 8.886 -20.124 18.879 199 H TYR 25 H TYR 25 8.660 -17.788 22.983 200 HA TYR 25 HA TYR 25 10.559 -17.720 25.042 201 HB2 TYR 25 HB2 TYR 25 8.946 -15.739 23.561 202 HB3 TYR 25 HB3 TYR 25 9.504 -15.219 25.147 203 HD1 TYR 25 HD1 TYR 25 11.162 -13.646 24.650 204 HD2 TYR 25 HD2 TYR 25 11.234 -17.431 22.708 205 HE1 TYR 25 HE1 TYR 25 13.367 -13.111 23.701 206 HE2 TYR 25 HE2 TYR 25 13.440 -16.907 21.754 207 HH TYR 25 HH TYR 25 14.953 -15.271 21.404 208 H HIS 26 H HIS 26 7.051 -17.282 25.099 209 HA HIS 26 HA HIS 26 6.884 -16.586 27.844 210 HB2 HIS 26 HB2 HIS 26 5.110 -16.133 26.134 211 HB3 HIS 26 HB3 HIS 26 4.736 -17.854 26.134 212 HD1 HIS 26 HD1 HIS 26 5.496 -16.069 29.336 213 HD2 HIS 26 HD2 HIS 26 2.198 -17.452 27.221 214 HE1 HIS 26 HE1 HIS 26 3.560 -15.914 30.933 215 H ALA 27 H ALA 27 6.673 -19.644 26.095 216 HA ALA 27 HA ALA 27 5.848 -21.264 28.234 217 HB1 ALA 27 HB1 ALA 27 5.656 -22.237 26.129 218 HB2 ALA 27 HB2 ALA 27 7.310 -21.821 25.679 219 HB3 ALA 27 HB3 ALA 27 7.011 -23.099 26.857 220 H VAL 28 H VAL 28 9.125 -20.665 26.962 221 HA VAL 28 HA VAL 28 10.450 -22.154 28.973 222 HB VAL 28 HB VAL 28 12.500 -21.007 28.212 223 HG11 VAL 28 HG11 VAL 28 10.631 -22.430 26.449 224 HG12 VAL 28 HG12 VAL 28 11.928 -21.567 25.621 225 HG13 VAL 28 HG13 VAL 28 12.314 -22.780 26.842 226 HG21 VAL 28 HG21 VAL 28 10.514 -19.318 26.733 227 HG22 VAL 28 HG22 VAL 28 11.876 -18.813 27.733 228 HG23 VAL 28 HG23 VAL 28 12.164 -19.513 26.140 229 H ASP 29 H ASP 29 9.507 -18.780 28.694 230 HA ASP 29 HA ASP 29 10.987 -17.847 30.931 231 HB2 ASP 29 HB2 ASP 29 10.130 -16.361 29.143 232 HB3 ASP 29 HB3 ASP 29 8.487 -16.675 29.695 233 H SER 30 H SER 30 7.757 -19.170 30.519 234 HA SER 30 HA SER 30 6.865 -18.558 33.159 235 HB2 SER 30 HB2 SER 30 5.214 -18.902 31.439 236 HB3 SER 30 HB3 SER 30 5.845 -20.510 31.084 237 HG SER 30 HG SER 30 3.928 -19.953 32.728 238 H THR 31 H THR 31 7.884 -21.600 31.605 239 HA THR 31 HA THR 31 7.774 -23.197 33.902 240 HB THR 31 HB THR 31 7.939 -24.167 31.665 241 HG1 THR 31 HG1 THR 31 8.632 -25.545 33.262 242 HG21 THR 31 HG21 THR 31 9.783 -23.983 30.267 243 HG22 THR 31 HG22 THR 31 10.860 -23.512 31.582 244 HG23 THR 31 HG23 THR 31 9.675 -22.364 30.958 245 H MET 32 H MET 32 10.313 -21.119 32.638 246 HA MET 32 HA MET 32 12.393 -22.015 34.325 247 HB2 MET 32 HB2 MET 32 12.908 -20.728 32.354 248 HB3 MET 32 HB3 MET 32 11.958 -19.368 32.937 249 HG2 MET 32 HG2 MET 32 14.268 -18.866 33.238 250 HG3 MET 32 HG3 MET 32 13.543 -19.130 34.822 251 HE1 MET 32 HE1 MET 32 15.834 -18.926 35.431 252 HE2 MET 32 HE2 MET 32 16.072 -20.397 36.373 253 HE3 MET 32 HE3 MET 32 17.166 -20.015 35.043 254 H SER 33 H SER 33 9.865 -19.602 34.713 255 HA SER 33 HA SER 33 10.810 -19.124 37.463 256 HB2 SER 33 HB2 SER 33 9.012 -17.313 35.840 257 HB3 SER 33 HB3 SER 33 9.790 -16.948 37.380 258 HG SER 33 HG SER 33 10.738 -16.372 35.071 259 HA PRO 34 HA PRO 34 6.808 -21.465 37.746 260 HB2 PRO 34 HB2 PRO 34 7.662 -23.148 39.698 261 HB3 PRO 34 HB3 PRO 34 7.910 -23.468 37.978 262 HG2 PRO 34 HG2 PRO 34 9.817 -22.335 39.989 263 HG3 PRO 34 HG3 PRO 34 10.111 -23.546 38.727 264 HD2 PRO 34 HD2 PRO 34 10.814 -20.947 38.443 265 HD3 PRO 34 HD3 PRO 34 10.312 -21.956 37.071 266 H LYS 35 H LYS 35 9.004 -20.335 40.294 267 HA LYS 35 HA LYS 35 7.263 -20.242 42.436 268 HB2 LYS 35 HB2 LYS 35 9.440 -18.254 41.758 269 HB3 LYS 35 HB3 LYS 35 8.704 -18.461 43.342 270 HG2 LYS 35 HG2 LYS 35 10.070 -20.737 41.955 271 HG3 LYS 35 HG3 LYS 35 10.975 -19.556 42.903 272 HD2 LYS 35 HD2 LYS 35 8.572 -20.833 44.118 273 HD3 LYS 35 HD3 LYS 35 10.063 -21.771 43.998 274 HE2 LYS 35 HE2 LYS 35 10.150 -19.002 45.110 275 HE3 LYS 35 HE3 LYS 35 9.567 -20.323 46.121 276 HZ1 LYS 35 HZ1 LYS 35 12.252 -19.761 45.173 277 HZ2 LYS 35 HZ2 LYS 35 11.799 -21.391 45.149 278 HZ3 LYS 35 HZ3 LYS 35 11.742 -20.519 46.597 279 H ASN 36 H ASN 36 7.753 -17.832 39.885 280 HA ASN 36 HA ASN 36 5.896 -15.960 40.976 281 HB2 ASN 36 HB2 ASN 36 7.838 -15.553 39.300 282 HB3 ASN 36 HB3 ASN 36 6.675 -16.048 38.073 283 HD21 ASN 36 HD21 ASN 36 7.821 -13.536 38.106 284 HD22 ASN 36 HD22 ASN 36 6.602 -12.363 38.456 285 H ARG 37 H ARG 37 3.759 -16.083 40.948 286 HA ARG 37 HA ARG 37 2.423 -17.378 38.685 287 HB2 ARG 37 HB2 ARG 37 0.785 -18.295 40.518 288 HB3 ARG 37 HB3 ARG 37 2.257 -19.173 40.123 289 HG2 ARG 37 HG2 ARG 37 1.959 -19.096 42.512 290 HG3 ARG 37 HG3 ARG 37 3.369 -18.139 42.056 291 HD2 ARG 37 HD2 ARG 37 2.046 -16.978 43.735 292 HD3 ARG 37 HD3 ARG 37 2.029 -16.097 42.207 293 HE ARG 37 HE ARG 37 -0.229 -16.449 42.068 294 HH11 ARG 37 HH11 ARG 37 1.117 -18.586 44.464 295 HH12 ARG 37 HH12 ARG 37 -0.425 -19.133 45.032 296 HH21 ARG 37 HH21 ARG 37 -2.266 -17.161 42.807 297 HH22 ARG 37 HH22 ARG 37 -2.349 -18.322 44.088 298 H LEU 38 H LEU 38 2.780 -14.606 39.351 299 HA LEU 38 HA LEU 38 0.036 -13.821 40.069 300 HB2 LEU 38 HB2 LEU 38 2.194 -12.987 41.315 301 HB3 LEU 38 HB3 LEU 38 2.288 -11.871 39.953 302 HG LEU 38 HG LEU 38 1.221 -10.808 41.850 303 HD11 LEU 38 HD11 LEU 38 0.472 -10.330 39.505 304 HD12 LEU 38 HD12 LEU 38 -0.710 -9.958 40.760 305 HD13 LEU 38 HD13 LEU 38 -0.885 -11.420 39.789 306 HD21 LEU 38 HD21 LEU 38 -0.430 -11.703 43.105 307 HD22 LEU 38 HD22 LEU 38 0.240 -13.221 42.506 308 HD23 LEU 38 HD23 LEU 38 -1.182 -12.518 41.734 309 H GLU 39 H GLU 39 -1.195 -13.386 38.369 310 HA GLU 39 HA GLU 39 -0.186 -12.904 35.770 311 HB2 GLU 39 HB2 GLU 39 -2.463 -13.868 36.432 312 HB3 GLU 39 HB3 GLU 39 -2.965 -12.204 36.698 313 HG2 GLU 39 HG2 GLU 39 -2.255 -11.743 34.320 314 HG3 GLU 39 HG3 GLU 39 -2.110 -13.489 34.124
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