NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280084 | 2kio | 16284 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 16.402 -14.950 -0.433 2 H2 ASN 1 2H ASN 1 17.435 -15.662 0.713 3 H3 ASN 1 3H ASN 1 18.010 -15.301 -0.844 4 HA ASN 1 HA ASN 1 18.338 -13.727 1.316 5 HB2 ASN 1 1HB ASN 1 19.061 -12.042 -0.292 6 HB3 ASN 1 2HB ASN 1 19.518 -13.637 -0.891 7 HD21 ASN 1 2HD2 ASN 1 19.033 -11.244 -2.555 8 HD22 ASN 1 1HD2 ASN 1 17.737 -11.626 -3.582 9 H GLU 2 H GLU 2 17.603 -11.337 1.486 10 HA GLU 2 HA GLU 2 14.795 -11.274 2.002 11 HB2 GLU 2 1HB GLU 2 16.790 -9.044 1.723 12 HB3 GLU 2 2HB GLU 2 15.145 -8.817 2.300 13 HG2 GLU 2 1HG GLU 2 15.637 -10.551 4.078 14 HG3 GLU 2 2HG GLU 2 17.327 -10.484 3.576 15 H LEU 3 H LEU 3 14.055 -12.060 -0.163 16 HA LEU 3 HA LEU 3 14.371 -10.710 -2.594 17 HB2 LEU 3 1HB LEU 3 13.143 -12.815 -2.443 18 HB3 LEU 3 2HB LEU 3 11.896 -12.055 -1.459 19 HG LEU 3 HG LEU 3 11.206 -10.650 -3.319 20 HD11 LEU 3 1HD1 LEU 3 13.669 -11.806 -4.630 21 HD12 LEU 3 2HD1 LEU 3 13.180 -10.116 -4.501 22 HD13 LEU 3 3HD1 LEU 3 12.335 -11.193 -5.608 23 HD21 LEU 3 3HD2 LEU 3 10.506 -12.436 -4.927 24 HD22 LEU 3 1HD2 LEU 3 10.220 -12.875 -3.243 25 HD23 LEU 3 2HD2 LEU 3 11.600 -13.551 -4.108 26 H ASP 4 H ASP 4 12.981 -9.557 0.284 27 HA ASP 4 HA ASP 4 11.129 -7.655 -0.925 28 HB2 ASP 4 1HB ASP 4 11.133 -6.670 1.415 29 HB3 ASP 4 2HB ASP 4 10.652 -8.364 1.320 30 H VAL 5 H VAL 5 13.420 -7.251 -2.308 31 HA VAL 5 HA VAL 5 15.136 -5.280 -1.094 32 HB VAL 5 HB VAL 5 14.844 -5.597 -4.076 33 HG11 VAL 5 1HG1 VAL 5 17.287 -5.261 -3.985 34 HG12 VAL 5 2HG1 VAL 5 17.211 -5.192 -2.224 35 HG13 VAL 5 3HG1 VAL 5 16.436 -3.936 -3.190 36 HG21 VAL 5 3HG2 VAL 5 16.075 -7.541 -2.107 37 HG22 VAL 5 1HG2 VAL 5 16.487 -7.521 -3.822 38 HG23 VAL 5 2HG2 VAL 5 14.836 -7.878 -3.316 39 HA PRO 6 HA PRO 6 12.159 -2.451 -3.983 40 HB2 PRO 6 1HB PRO 6 9.772 -3.842 -2.803 41 HB3 PRO 6 2HB PRO 6 9.930 -3.005 -4.367 42 HG2 PRO 6 1HG PRO 6 9.991 -5.597 -4.336 43 HG3 PRO 6 2HG PRO 6 11.236 -4.732 -5.265 44 HD2 PRO 6 1HD PRO 6 11.457 -6.002 -2.556 45 HD3 PRO 6 2HD PRO 6 12.606 -6.064 -3.910 46 H GLU 7 H GLU 7 12.469 -0.603 -2.839 47 HA GLU 7 HA GLU 7 11.848 -0.518 0.039 48 HB2 GLU 7 1HB GLU 7 13.153 1.587 -1.699 49 HB3 GLU 7 2HB GLU 7 13.113 1.556 0.064 50 HG2 GLU 7 1HG GLU 7 14.380 -0.575 0.043 51 HG3 GLU 7 2HG GLU 7 14.458 -0.496 -1.718 52 H GLN 8 H GLN 8 11.393 1.978 -2.525 53 HA GLN 8 HA GLN 8 9.344 3.352 -1.186 54 HB2 GLN 8 1HB GLN 8 9.555 2.928 -4.182 55 HB3 GLN 8 2HB GLN 8 8.576 4.169 -3.390 56 HG2 GLN 8 1HG GLN 8 10.656 5.077 -2.344 57 HG3 GLN 8 2HG GLN 8 11.598 3.901 -3.260 58 HE21 GLN 8 2HE2 GLN 8 10.373 3.972 -5.770 59 HE22 GLN 8 1HE2 GLN 8 10.506 5.528 -6.436 60 H VAL 9 H VAL 9 9.328 0.251 -2.373 61 HA VAL 9 HA VAL 9 6.460 0.007 -2.826 62 HB VAL 9 HB VAL 9 8.837 -1.835 -2.694 63 HG11 VAL 9 1HG1 VAL 9 5.922 -2.663 -2.576 64 HG12 VAL 9 2HG1 VAL 9 7.234 -3.163 -1.508 65 HG13 VAL 9 3HG1 VAL 9 7.182 -3.744 -3.171 66 HG21 VAL 9 3HG2 VAL 9 7.769 -2.546 -4.954 67 HG22 VAL 9 1HG2 VAL 9 8.539 -0.963 -4.861 68 HG23 VAL 9 2HG2 VAL 9 6.783 -1.098 -4.784 69 H ASP 10 H ASP 10 8.685 -1.499 -0.492 70 HA ASP 10 HA ASP 10 6.885 -2.384 1.421 71 HB2 ASP 10 1HB ASP 10 9.251 -2.835 1.668 72 HB3 ASP 10 2HB ASP 10 9.618 -1.115 1.807 73 H LYS 11 H LYS 11 8.242 0.900 1.143 74 HA LYS 11 HA LYS 11 6.835 1.965 3.407 75 HB2 LYS 11 1HB LYS 11 7.950 3.239 0.894 76 HB3 LYS 11 2HB LYS 11 7.090 4.190 2.100 77 HG2 LYS 11 1HG LYS 11 9.359 4.403 2.723 78 HG3 LYS 11 2HG LYS 11 8.743 3.168 3.816 79 HD2 LYS 11 1HD LYS 11 9.694 1.402 2.457 80 HD3 LYS 11 2HD LYS 11 10.147 2.554 1.200 81 HE2 LYS 11 1HE LYS 11 12.082 1.950 2.629 82 HE3 LYS 11 2HE LYS 11 11.693 3.666 2.739 83 HZ1 LYS 11 3HZ LYS 11 12.013 2.893 4.929 84 HZ2 LYS 11 1HZ LYS 11 11.029 1.533 4.683 85 HZ3 LYS 11 2HZ LYS 11 10.335 3.084 4.739 86 H LEU 12 H LEU 12 6.062 1.958 -0.073 87 HA LEU 12 HA LEU 12 3.512 3.152 0.091 88 HB2 LEU 12 1HB LEU 12 4.929 1.322 -1.750 89 HB3 LEU 12 2HB LEU 12 3.207 1.443 -1.978 90 HG LEU 12 HG LEU 12 4.837 3.033 -3.291 91 HD11 LEU 12 1HD1 LEU 12 2.391 3.160 -3.388 92 HD12 LEU 12 2HD1 LEU 12 3.088 4.779 -3.337 93 HD13 LEU 12 3HD1 LEU 12 2.367 4.084 -1.885 94 HD21 LEU 12 3HD2 LEU 12 5.673 4.928 -2.285 95 HD22 LEU 12 1HD2 LEU 12 5.780 3.836 -0.917 96 HD23 LEU 12 2HD2 LEU 12 4.436 4.959 -1.028 97 H ILE 13 H ILE 13 4.369 -0.320 0.073 98 HA ILE 13 HA ILE 13 1.844 -1.396 0.653 99 HB ILE 13 HB ILE 13 4.563 -2.243 1.680 100 HG12 ILE 13 1HG1 ILE 13 2.999 -2.765 -0.852 101 HG13 ILE 13 2HG1 ILE 13 4.632 -2.163 -0.693 102 HG21 ILE 13 1HG2 ILE 13 2.553 -3.272 2.866 103 HG22 ILE 13 2HG2 ILE 13 3.623 -4.414 2.070 104 HG23 ILE 13 3HG2 ILE 13 2.097 -3.965 1.311 105 HD11 ILE 13 3HD1 ILE 13 4.903 -4.411 -1.335 106 HD12 ILE 13 1HD1 ILE 13 3.643 -4.957 -0.229 107 HD13 ILE 13 2HD1 ILE 13 5.192 -4.402 0.404 108 H GLN 14 H GLN 14 4.373 -0.585 3.030 109 HA GLN 14 HA GLN 14 2.866 -0.851 5.366 110 HB2 GLN 14 1HB GLN 14 5.200 0.783 4.540 111 HB3 GLN 14 2HB GLN 14 4.457 1.211 6.061 112 HG2 GLN 14 1HG GLN 14 4.754 -1.082 6.877 113 HG3 GLN 14 2HG GLN 14 5.429 -1.563 5.320 114 HE21 GLN 14 2HE2 GLN 14 7.000 0.872 4.897 115 HE22 GLN 14 1HE2 GLN 14 8.273 0.843 6.020 116 H GLN 15 H GLN 15 2.793 1.648 2.956 117 HA GLN 15 HA GLN 15 1.012 3.353 4.583 118 HB2 GLN 15 1HB GLN 15 2.558 3.665 2.061 119 HB3 GLN 15 2HB GLN 15 1.320 4.830 2.469 120 HG2 GLN 15 1HG GLN 15 2.457 5.207 4.661 121 HG3 GLN 15 2HG GLN 15 3.738 4.108 4.149 122 HE21 GLN 15 2HE2 GLN 15 3.013 5.409 1.292 123 HE22 GLN 15 1HE2 GLN 15 3.994 6.794 1.298 124 H ALA 16 H ALA 16 0.719 0.781 2.537 125 HA ALA 16 HA ALA 16 -1.406 1.710 0.820 126 HB1 ALA 16 3HB ALA 16 -0.091 -0.184 0.142 127 HB2 ALA 16 1HB ALA 16 -1.744 -0.743 0.404 128 HB3 ALA 16 2HB ALA 16 -0.503 -1.063 1.615 129 H THR 17 H THR 17 -1.319 0.976 4.130 130 HA THR 17 HA THR 17 -3.774 -0.299 4.649 131 HB THR 17 HB THR 17 -3.813 1.318 6.706 132 HG1 THR 17 HG1 THR 17 -2.482 2.877 5.649 133 HG21 THR 17 3HG2 THR 17 -1.449 -0.489 6.129 134 HG22 THR 17 1HG2 THR 17 -2.981 -0.967 6.861 135 HG23 THR 17 2HG2 THR 17 -1.886 0.107 7.731 136 H SER 18 H SER 18 -3.115 2.762 3.278 137 HA SER 18 HA SER 18 -5.826 3.818 3.656 138 HB2 SER 18 1HB SER 18 -3.231 4.865 2.698 139 HB3 SER 18 2HB SER 18 -4.678 5.623 2.054 140 HG SER 18 HG SER 18 -5.282 5.560 4.456 141 H ILE 19 H ILE 19 -3.713 3.559 0.800 142 HA ILE 19 HA ILE 19 -5.494 3.728 -1.252 143 HB ILE 19 HB ILE 19 -3.152 1.859 -0.908 144 HG12 ILE 19 1HG1 ILE 19 -3.403 4.484 -2.397 145 HG13 ILE 19 2HG1 ILE 19 -2.860 4.378 -0.720 146 HG21 ILE 19 1HG2 ILE 19 -3.161 1.957 -3.448 147 HG22 ILE 19 2HG2 ILE 19 -4.801 2.586 -3.323 148 HG23 ILE 19 3HG2 ILE 19 -4.425 0.978 -2.711 149 HD11 ILE 19 3HD1 ILE 19 -1.585 3.031 -3.105 150 HD12 ILE 19 1HD1 ILE 19 -1.069 2.819 -1.434 151 HD13 ILE 19 2HD1 ILE 19 -0.929 4.399 -2.207 152 H GLU 20 H GLU 20 -5.113 1.103 0.994 153 HA GLU 20 HA GLU 20 -6.778 -0.782 -0.512 154 HB2 GLU 20 1HB GLU 20 -5.620 -0.701 2.276 155 HB3 GLU 20 2HB GLU 20 -6.874 -1.879 1.888 156 HG2 GLU 20 1HG GLU 20 -5.538 -2.855 0.149 157 HG3 GLU 20 2HG GLU 20 -4.351 -1.552 0.247 158 H ARG 21 H ARG 21 -7.170 1.312 2.315 159 HA ARG 21 HA ARG 21 -9.927 0.819 2.775 160 HB2 ARG 21 1HB ARG 21 -7.935 2.941 3.465 161 HB3 ARG 21 2HB ARG 21 -9.636 3.377 3.651 162 HG2 ARG 21 1HG ARG 21 -8.588 0.787 4.797 163 HG3 ARG 21 2HG ARG 21 -8.376 2.298 5.676 164 HD2 ARG 21 1HD ARG 21 -10.662 2.563 6.045 165 HD3 ARG 21 2HD ARG 21 -11.110 1.618 4.625 166 HE ARG 21 HE ARG 21 -9.775 -0.068 6.527 167 HH11 ARG 21 1HH2 ARG 21 -12.690 1.662 5.911 168 HH12 ARG 21 2HH2 ARG 21 -13.686 0.573 6.819 169 HH21 ARG 21 1HH1 ARG 21 -11.058 -1.505 7.711 170 HH22 ARG 21 2HH1 ARG 21 -12.762 -1.221 7.837 171 H LEU 22 H LEU 22 -8.250 2.861 0.453 172 HA LEU 22 HA LEU 22 -10.418 4.477 -0.322 173 HB2 LEU 22 1HB LEU 22 -7.773 3.736 -1.340 174 HB3 LEU 22 2HB LEU 22 -8.851 4.398 -2.527 175 HG LEU 22 HG LEU 22 -9.216 6.301 -1.047 176 HD11 LEU 22 1HD1 LEU 22 -7.031 5.107 0.598 177 HD12 LEU 22 2HD1 LEU 22 -8.723 5.227 1.074 178 HD13 LEU 22 3HD1 LEU 22 -7.765 6.685 0.856 179 HD21 LEU 22 3HD2 LEU 22 -6.285 5.910 -1.534 180 HD22 LEU 22 1HD2 LEU 22 -7.181 7.427 -1.564 181 HD23 LEU 22 2HD2 LEU 22 -7.433 6.229 -2.832 182 H CYS 23 H CYS 23 -8.958 1.872 -2.199 183 HA CYS 23 HA CYS 23 -11.115 1.572 -4.014 184 HB2 CYS 23 1HB CYS 23 -10.197 -0.931 -4.078 185 HB3 CYS 23 2HB CYS 23 -9.243 0.399 -4.729 186 H GLN 24 H GLN 24 -10.427 -0.637 -1.281 187 HA GLN 24 HA GLN 24 -12.765 -2.102 -1.262 188 HB2 GLN 24 1HB GLN 24 -11.140 -1.022 1.044 189 HB3 GLN 24 2HB GLN 24 -12.500 -2.116 1.291 190 HG2 GLN 24 1HG GLN 24 -10.329 -3.331 1.146 191 HG3 GLN 24 2HG GLN 24 -11.446 -3.805 -0.133 192 HE21 GLN 24 2HE2 GLN 24 -11.052 -2.840 -2.326 193 HE22 GLN 24 1HE2 GLN 24 -9.488 -2.329 -2.742 194 H HIS 25 H HIS 25 -12.406 1.259 -0.188 195 HA HIS 25 HA HIS 25 -15.226 1.303 0.742 196 HB2 HIS 25 1HB HIS 25 -13.394 2.404 2.072 197 HB3 HIS 25 2HB HIS 25 -13.212 3.562 0.753 198 HD1 HIS 25 HD1 HIS 25 -14.041 4.898 3.236 199 HD2 HIS 25 HD2 HIS 25 -16.868 3.085 0.761 200 HE1 HIS 25 HE1 HIS 25 -16.273 5.961 3.795 201 HE2 HIS 25 HE2 HIS 25 -17.999 4.866 2.293 202 H TYR 26 H TYR 26 -13.328 3.661 -1.181 203 HA TYR 26 HA TYR 26 -15.619 4.737 -2.474 204 HB2 TYR 26 1HB TYR 26 -12.724 4.745 -3.351 205 HB3 TYR 26 2HB TYR 26 -13.974 5.767 -4.037 206 HD1 TYR 26 HD1 TYR 26 -15.470 6.960 -1.974 207 HD2 TYR 26 HD2 TYR 26 -11.327 5.826 -1.846 208 HE1 TYR 26 HE1 TYR 26 -15.078 8.578 -0.142 209 HE2 TYR 26 HE2 TYR 26 -10.936 7.436 -0.002 210 HH TYR 26 HH TYR 26 -11.855 8.929 1.349 211 H ILE 27 H ILE 27 -13.031 2.943 -4.162 212 HA ILE 27 HA ILE 27 -15.009 2.162 -6.213 213 HB ILE 27 HB ILE 27 -12.037 1.603 -6.161 214 HG12 ILE 27 1HG1 ILE 27 -12.325 3.709 -7.869 215 HG13 ILE 27 2HG1 ILE 27 -13.591 4.111 -6.731 216 HG21 ILE 27 1HG2 ILE 27 -13.466 0.304 -7.751 217 HG22 ILE 27 2HG2 ILE 27 -12.314 1.361 -8.565 218 HG23 ILE 27 3HG2 ILE 27 -14.011 1.829 -8.451 219 HD11 ILE 27 3HD1 ILE 27 -11.615 3.571 -4.989 220 HD12 ILE 27 1HD1 ILE 27 -11.825 5.162 -5.707 221 HD13 ILE 27 2HD1 ILE 27 -10.635 4.043 -6.369 222 H GLY 28 H GLY 28 -12.278 0.191 -5.073 223 HA2 GLY 28 1HA GLY 28 -12.796 -1.809 -3.591 224 HA3 GLY 28 2HA GLY 28 -14.207 -2.072 -4.614 225 H TRP 29 H TRP 29 -10.962 -1.102 -5.674 226 HA TRP 29 HA TRP 29 -10.583 -3.789 -6.918 227 HB2 TRP 29 1HB TRP 29 -11.472 -1.614 -8.381 228 HB3 TRP 29 2HB TRP 29 -9.731 -1.490 -8.613 229 HD1 TRP 29 HD1 TRP 29 -12.376 -4.351 -8.771 230 HE1 TRP 29 HE1 TRP 29 -11.752 -5.832 -10.799 231 HE3 TRP 29 HE3 TRP 29 -8.191 -1.951 -10.330 232 HZ2 TRP 29 HZ2 TRP 29 -9.737 -5.964 -12.809 233 HZ3 TRP 29 HZ3 TRP 29 -6.932 -2.743 -12.286 234 HH2 TRP 29 HH2 TRP 29 -7.686 -4.755 -13.546 235 H CYS 30 H CYS 30 -8.956 -4.224 -5.385 236 HA CYS 30 HA CYS 30 -6.388 -2.773 -5.849 237 HB2 CYS 30 1HB CYS 30 -7.851 -3.122 -3.250 238 HB3 CYS 30 2HB CYS 30 -6.091 -3.223 -3.227 239 HA PRO 31 HA PRO 31 -5.975 -7.399 -5.767 240 HB2 PRO 31 1HB PRO 31 -5.473 -7.878 -8.364 241 HB3 PRO 31 2HB PRO 31 -7.127 -7.576 -7.791 242 HG2 PRO 31 1HG PRO 31 -5.254 -5.736 -9.210 243 HG3 PRO 31 2HG PRO 31 -7.007 -5.918 -9.393 244 HD2 PRO 31 1HD PRO 31 -5.737 -3.930 -7.851 245 HD3 PRO 31 2HD PRO 31 -7.446 -4.399 -7.713 246 H PHE 32 H PHE 32 -3.951 -4.837 -7.025 247 HA PHE 32 HA PHE 32 -1.577 -6.248 -7.601 248 HB2 PHE 32 1HB PHE 32 -2.218 -3.477 -6.660 249 HB3 PHE 32 2HB PHE 32 -0.539 -3.993 -6.515 250 HD1 PHE 32 HD2 PHE 32 -3.257 -4.513 -9.066 251 HD2 PHE 32 HD1 PHE 32 0.772 -3.230 -8.294 252 HE1 PHE 32 HE2 PHE 32 -2.924 -4.095 -11.487 253 HE2 PHE 32 HE1 PHE 32 1.102 -2.814 -10.716 254 HZ PHE 32 HZ PHE 32 -0.744 -3.248 -12.313 255 H TRP 33 H TRP 33 -3.267 -6.198 -4.702 256 HA TRP 33 HA TRP 33 -0.889 -6.518 -2.982 257 HB2 TRP 33 1HB TRP 33 -3.841 -6.437 -2.466 258 HB3 TRP 33 2HB TRP 33 -2.694 -6.858 -1.215 259 HD1 TRP 33 HD1 TRP 33 -1.633 -4.949 0.036 260 HE1 TRP 33 HE1 TRP 33 -1.496 -2.386 -0.267 261 HE3 TRP 33 HE3 TRP 33 -3.829 -4.487 -4.539 262 HZ2 TRP 33 HZ2 TRP 33 -2.223 -0.419 -2.182 263 HZ3 TRP 33 HZ3 TRP 33 -4.100 -2.256 -5.585 264 HH2 TRP 33 HH2 TRP 33 -3.301 -0.219 -4.414 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 13.337 -17.408 -5.077 2 H2 ASN 1 2H ASN 1 13.457 -15.714 -5.029 3 H3 ASN 1 3H ASN 1 11.968 -16.454 -5.379 4 HA ASN 1 HA ASN 1 11.910 -17.416 -3.150 5 HB2 ASN 1 1HB ASN 1 14.467 -17.338 -2.976 6 HB3 ASN 1 2HB ASN 1 14.281 -15.631 -2.572 7 HD21 ASN 1 2HD2 ASN 1 14.542 -15.488 -0.330 8 HD22 ASN 1 1HD2 ASN 1 13.767 -16.490 0.799 9 H GLU 2 H GLU 2 12.733 -15.044 -1.316 10 HA GLU 2 HA GLU 2 10.270 -13.519 -1.783 11 HB2 GLU 2 1HB GLU 2 12.363 -12.995 0.301 12 HB3 GLU 2 2HB GLU 2 10.670 -12.525 0.341 13 HG2 GLU 2 1HG GLU 2 10.138 -15.034 0.230 14 HG3 GLU 2 2HG GLU 2 11.842 -15.299 0.604 15 H LEU 3 H LEU 3 10.665 -12.314 -3.682 16 HA LEU 3 HA LEU 3 13.070 -10.693 -3.980 17 HB2 LEU 3 1HB LEU 3 10.499 -11.072 -5.472 18 HB3 LEU 3 2HB LEU 3 11.408 -9.596 -5.787 19 HG LEU 3 HG LEU 3 13.425 -10.985 -6.279 20 HD11 LEU 3 1HD1 LEU 3 13.144 -13.408 -6.587 21 HD12 LEU 3 2HD1 LEU 3 11.465 -13.292 -6.058 22 HD13 LEU 3 3HD1 LEU 3 12.774 -12.956 -4.924 23 HD21 LEU 3 3HD2 LEU 3 11.688 -10.253 -8.020 24 HD22 LEU 3 1HD2 LEU 3 11.073 -11.905 -7.946 25 HD23 LEU 3 2HD2 LEU 3 12.728 -11.603 -8.476 26 H ASP 4 H ASP 4 11.124 -10.407 -1.623 27 HA ASP 4 HA ASP 4 9.875 -7.837 -1.809 28 HB2 ASP 4 1HB ASP 4 9.749 -7.953 0.655 29 HB3 ASP 4 2HB ASP 4 9.260 -9.481 -0.081 30 H VAL 5 H VAL 5 12.513 -7.623 -2.846 31 HA VAL 5 HA VAL 5 14.209 -6.372 -0.864 32 HB VAL 5 HB VAL 5 14.521 -6.010 -3.841 33 HG11 VAL 5 1HG1 VAL 5 16.922 -6.093 -3.217 34 HG12 VAL 5 2HG1 VAL 5 16.459 -6.288 -1.526 35 HG13 VAL 5 3HG1 VAL 5 16.066 -4.797 -2.382 36 HG21 VAL 5 3HG2 VAL 5 14.100 -8.376 -3.580 37 HG22 VAL 5 1HG2 VAL 5 15.149 -8.455 -2.164 38 HG23 VAL 5 2HG2 VAL 5 15.842 -8.163 -3.758 39 HA PRO 6 HA PRO 6 12.374 -2.503 -3.526 40 HB2 PRO 6 1HB PRO 6 9.639 -3.610 -2.954 41 HB3 PRO 6 2HB PRO 6 10.155 -2.491 -4.240 42 HG2 PRO 6 1HG PRO 6 9.817 -4.990 -4.842 43 HG3 PRO 6 2HG PRO 6 11.309 -4.188 -5.379 44 HD2 PRO 6 1HD PRO 6 10.910 -6.076 -3.082 45 HD3 PRO 6 2HD PRO 6 12.260 -5.999 -4.238 46 H GLU 7 H GLU 7 12.931 -1.078 -1.966 47 HA GLU 7 HA GLU 7 11.856 -1.298 0.744 48 HB2 GLU 7 1HB GLU 7 13.433 0.861 0.908 49 HB3 GLU 7 2HB GLU 7 14.100 -0.766 0.893 50 HG2 GLU 7 1HG GLU 7 13.661 0.712 -1.697 51 HG3 GLU 7 2HG GLU 7 15.109 0.996 -0.737 52 H GLN 8 H GLN 8 12.197 1.610 -1.407 53 HA GLN 8 HA GLN 8 10.314 3.183 -0.068 54 HB2 GLN 8 1HB GLN 8 10.822 3.033 -3.050 55 HB3 GLN 8 2HB GLN 8 9.819 4.273 -2.286 56 HG2 GLN 8 1HG GLN 8 12.020 5.213 -2.524 57 HG3 GLN 8 2HG GLN 8 11.818 4.822 -0.816 58 HE21 GLN 8 2HE2 GLN 8 12.722 2.820 -3.688 59 HE22 GLN 8 1HE2 GLN 8 14.133 2.192 -2.985 60 H VAL 9 H VAL 9 9.864 0.334 -1.763 61 HA VAL 9 HA VAL 9 7.064 0.664 -2.411 62 HB VAL 9 HB VAL 9 9.096 -1.534 -2.383 63 HG11 VAL 9 1HG1 VAL 9 7.251 -3.185 -3.001 64 HG12 VAL 9 2HG1 VAL 9 6.100 -2.006 -2.379 65 HG13 VAL 9 3HG1 VAL 9 7.299 -2.719 -1.301 66 HG21 VAL 9 3HG2 VAL 9 8.916 -0.424 -4.464 67 HG22 VAL 9 1HG2 VAL 9 7.154 -0.388 -4.403 68 HG23 VAL 9 2HG2 VAL 9 7.990 -1.906 -4.697 69 H ASP 10 H ASP 10 8.795 -1.292 0.013 70 HA ASP 10 HA ASP 10 6.683 -2.062 1.654 71 HB2 ASP 10 1HB ASP 10 9.235 -2.512 1.894 72 HB3 ASP 10 2HB ASP 10 9.274 -1.012 2.818 73 H LYS 11 H LYS 11 8.447 1.024 1.721 74 HA LYS 11 HA LYS 11 6.965 2.194 3.872 75 HB2 LYS 11 1HB LYS 11 8.538 3.330 1.558 76 HB3 LYS 11 2HB LYS 11 7.635 4.400 2.630 77 HG2 LYS 11 1HG LYS 11 9.929 4.207 3.434 78 HG3 LYS 11 2HG LYS 11 8.843 3.414 4.576 79 HD2 LYS 11 1HD LYS 11 9.464 1.249 3.848 80 HD3 LYS 11 2HD LYS 11 10.185 1.862 2.360 81 HE2 LYS 11 1HE LYS 11 11.745 1.176 4.366 82 HE3 LYS 11 2HE LYS 11 12.100 2.640 3.447 83 HZ1 LYS 11 3HZ LYS 11 11.875 2.597 6.088 84 HZ2 LYS 11 1HZ LYS 11 10.266 2.944 5.680 85 HZ3 LYS 11 2HZ LYS 11 11.514 3.966 5.148 86 H LEU 12 H LEU 12 6.558 2.410 0.333 87 HA LEU 12 HA LEU 12 4.180 3.919 0.304 88 HB2 LEU 12 1HB LEU 12 5.530 1.984 -1.472 89 HB3 LEU 12 2HB LEU 12 3.872 2.340 -1.863 90 HG LEU 12 HG LEU 12 5.821 3.738 -2.935 91 HD11 LEU 12 1HD1 LEU 12 4.321 5.753 -2.976 92 HD12 LEU 12 2HD1 LEU 12 3.323 4.970 -1.751 93 HD13 LEU 12 3HD1 LEU 12 3.498 4.238 -3.346 94 HD21 LEU 12 3HD2 LEU 12 5.447 5.626 -0.637 95 HD22 LEU 12 1HD2 LEU 12 6.794 5.465 -1.763 96 HD23 LEU 12 2HD2 LEU 12 6.611 4.326 -0.446 97 H ILE 13 H ILE 13 4.580 0.365 0.188 98 HA ILE 13 HA ILE 13 1.906 -0.408 0.460 99 HB ILE 13 HB ILE 13 4.385 -1.600 1.728 100 HG12 ILE 13 1HG1 ILE 13 3.006 -1.895 -0.947 101 HG13 ILE 13 2HG1 ILE 13 4.668 -1.465 -0.631 102 HG21 ILE 13 1HG2 ILE 13 1.762 -2.982 1.093 103 HG22 ILE 13 2HG2 ILE 13 2.185 -2.410 2.706 104 HG23 ILE 13 3HG2 ILE 13 3.153 -3.659 1.938 105 HD11 ILE 13 3HD1 ILE 13 3.373 -4.153 -0.294 106 HD12 ILE 13 1HD1 ILE 13 4.934 -3.762 0.423 107 HD13 ILE 13 2HD1 ILE 13 4.735 -3.724 -1.329 108 H GLN 14 H GLN 14 4.229 0.095 3.103 109 HA GLN 14 HA GLN 14 2.437 -0.050 5.257 110 HB2 GLN 14 1HB GLN 14 5.063 1.234 4.759 111 HB3 GLN 14 2HB GLN 14 4.219 1.743 6.204 112 HG2 GLN 14 1HG GLN 14 4.125 -0.538 7.018 113 HG3 GLN 14 2HG GLN 14 4.762 -1.153 5.491 114 HE21 GLN 14 2HE2 GLN 14 6.415 -2.048 7.242 115 HE22 GLN 14 1HE2 GLN 14 7.766 -1.063 7.537 116 H GLN 15 H GLN 15 3.186 2.648 3.108 117 HA GLN 15 HA GLN 15 1.418 4.473 4.567 118 HB2 GLN 15 1HB GLN 15 3.216 4.641 2.205 119 HB3 GLN 15 2HB GLN 15 2.040 5.911 2.450 120 HG2 GLN 15 1HG GLN 15 2.949 6.289 4.724 121 HG3 GLN 15 2HG GLN 15 4.143 5.021 4.446 122 HE21 GLN 15 2HE2 GLN 15 3.559 6.653 1.534 123 HE22 GLN 15 1HE2 GLN 15 4.868 7.731 1.585 124 H ALA 16 H ALA 16 0.996 2.002 2.405 125 HA ALA 16 HA ALA 16 -1.028 3.221 0.707 126 HB1 ALA 16 3HB ALA 16 0.393 1.283 0.009 127 HB2 ALA 16 1HB ALA 16 -1.335 1.008 -0.205 128 HB3 ALA 16 2HB ALA 16 -0.490 0.277 1.160 129 H THR 17 H THR 17 -1.002 2.216 3.903 130 HA THR 17 HA THR 17 -3.287 0.830 4.520 131 HB THR 17 HB THR 17 -3.599 2.586 6.420 132 HG1 THR 17 HG1 THR 17 -1.378 3.706 6.461 133 HG21 THR 17 3HG2 THR 17 -2.402 0.498 6.779 134 HG22 THR 17 1HG2 THR 17 -1.496 1.813 7.528 135 HG23 THR 17 2HG2 THR 17 -0.968 1.148 5.981 136 H SER 18 H SER 18 -3.133 3.929 2.999 137 HA SER 18 HA SER 18 -5.976 4.528 3.300 138 HB2 SER 18 1HB SER 18 -3.610 5.812 2.073 139 HB3 SER 18 2HB SER 18 -5.177 6.244 1.412 140 HG SER 18 HG SER 18 -4.722 7.618 3.113 141 H ILE 19 H ILE 19 -3.956 4.301 0.394 142 HA ILE 19 HA ILE 19 -5.814 3.844 -1.556 143 HB ILE 19 HB ILE 19 -3.153 2.432 -1.251 144 HG12 ILE 19 1HG1 ILE 19 -3.933 5.160 -2.335 145 HG13 ILE 19 2HG1 ILE 19 -2.895 4.834 -0.949 146 HG21 ILE 19 1HG2 ILE 19 -4.691 3.226 -3.722 147 HG22 ILE 19 2HG2 ILE 19 -4.692 1.602 -3.045 148 HG23 ILE 19 3HG2 ILE 19 -3.200 2.294 -3.660 149 HD11 ILE 19 3HD1 ILE 19 -1.361 3.590 -2.540 150 HD12 ILE 19 1HD1 ILE 19 -1.440 5.337 -2.777 151 HD13 ILE 19 2HD1 ILE 19 -2.327 4.258 -3.854 152 H GLU 20 H GLU 20 -4.595 1.578 0.821 153 HA GLU 20 HA GLU 20 -5.964 -0.716 -0.372 154 HB2 GLU 20 1HB GLU 20 -4.851 -1.996 1.184 155 HB3 GLU 20 2HB GLU 20 -3.880 -0.544 1.380 156 HG2 GLU 20 1HG GLU 20 -5.434 0.152 3.236 157 HG3 GLU 20 2HG GLU 20 -6.220 -1.420 3.097 158 H ARG 21 H ARG 21 -6.619 1.605 2.209 159 HA ARG 21 HA ARG 21 -9.058 0.374 3.111 160 HB2 ARG 21 1HB ARG 21 -7.759 3.069 3.368 161 HB3 ARG 21 2HB ARG 21 -9.473 2.947 3.767 162 HG2 ARG 21 1HG ARG 21 -7.367 1.103 4.926 163 HG3 ARG 21 2HG ARG 21 -7.870 2.596 5.714 164 HD2 ARG 21 1HD ARG 21 -9.642 1.493 6.627 165 HD3 ARG 21 2HD ARG 21 -10.253 1.129 5.014 166 HE ARG 21 HE ARG 21 -9.332 -1.045 5.201 167 HH11 ARG 21 1HH2 ARG 21 -8.198 1.101 7.650 168 HH12 ARG 21 2HH2 ARG 21 -7.422 -0.145 8.569 169 HH21 ARG 21 1HH1 ARG 21 -8.324 -2.683 6.386 170 HH22 ARG 21 2HH1 ARG 21 -7.494 -2.288 7.855 171 H LEU 22 H LEU 22 -8.180 2.608 0.559 172 HA LEU 22 HA LEU 22 -10.734 3.450 -0.251 173 HB2 LEU 22 1HB LEU 22 -8.020 3.324 -1.355 174 HB3 LEU 22 2HB LEU 22 -9.275 3.533 -2.532 175 HG LEU 22 HG LEU 22 -10.084 5.420 -1.206 176 HD11 LEU 22 1HD1 LEU 22 -7.523 5.227 0.290 177 HD12 LEU 22 2HD1 LEU 22 -9.087 4.729 0.933 178 HD13 LEU 22 3HD1 LEU 22 -8.809 6.411 0.514 179 HD21 LEU 22 3HD2 LEU 22 -8.697 5.812 -3.141 180 HD22 LEU 22 1HD2 LEU 22 -7.251 5.589 -2.160 181 HD23 LEU 22 2HD2 LEU 22 -8.296 6.982 -1.884 182 H CYS 23 H CYS 23 -8.656 1.040 -1.768 183 HA CYS 23 HA CYS 23 -10.363 -0.034 -3.654 184 HB2 CYS 23 1HB CYS 23 -9.069 -2.029 -3.613 185 HB3 CYS 23 2HB CYS 23 -7.969 -0.752 -3.102 186 H GLN 24 H GLN 24 -10.860 -0.153 -0.246 187 HA GLN 24 HA GLN 24 -12.719 -2.459 -0.432 188 HB2 GLN 24 1HB GLN 24 -11.786 -0.722 1.865 189 HB3 GLN 24 2HB GLN 24 -13.052 -1.935 2.041 190 HG2 GLN 24 1HG GLN 24 -11.527 -3.693 1.305 191 HG3 GLN 24 2HG GLN 24 -10.262 -2.502 1.001 192 HE21 GLN 24 2HE2 GLN 24 -8.761 -3.159 2.624 193 HE22 GLN 24 1HE2 GLN 24 -9.115 -3.124 4.284 194 H HIS 25 H HIS 25 -12.812 1.063 0.064 195 HA HIS 25 HA HIS 25 -15.773 1.004 0.239 196 HB2 HIS 25 1HB HIS 25 -14.453 2.500 1.729 197 HB3 HIS 25 2HB HIS 25 -13.863 3.359 0.306 198 HD1 HIS 25 HD1 HIS 25 -15.235 5.346 1.745 199 HD2 HIS 25 HD2 HIS 25 -17.497 2.522 -0.331 200 HE1 HIS 25 HE1 HIS 25 -17.546 6.346 1.462 201 HE2 HIS 25 HE2 HIS 25 -18.931 4.636 0.200 202 H TYR 26 H TYR 26 -13.561 3.126 -1.607 203 HA TYR 26 HA TYR 26 -15.288 3.986 -3.578 204 HB2 TYR 26 1HB TYR 26 -12.365 3.270 -3.680 205 HB3 TYR 26 2HB TYR 26 -13.185 3.941 -5.086 206 HD1 TYR 26 HD1 TYR 26 -12.158 4.545 -1.613 207 HD2 TYR 26 HD2 TYR 26 -13.930 6.258 -5.106 208 HE1 TYR 26 HE1 TYR 26 -11.854 6.796 -0.624 209 HE2 TYR 26 HE2 TYR 26 -13.656 8.529 -4.135 210 HH TYR 26 HH TYR 26 -11.969 9.010 -1.046 211 H ILE 27 H ILE 27 -13.089 1.205 -4.108 212 HA ILE 27 HA ILE 27 -14.919 0.234 -6.229 213 HB ILE 27 HB ILE 27 -12.225 -0.868 -5.383 214 HG12 ILE 27 1HG1 ILE 27 -11.787 0.460 -7.764 215 HG13 ILE 27 2HG1 ILE 27 -12.977 1.516 -7.023 216 HG21 ILE 27 1HG2 ILE 27 -13.404 -2.494 -6.655 217 HG22 ILE 27 2HG2 ILE 27 -12.322 -1.702 -7.803 218 HG23 ILE 27 3HG2 ILE 27 -14.034 -1.278 -7.771 219 HD11 ILE 27 3HD1 ILE 27 -11.537 1.504 -4.943 220 HD12 ILE 27 1HD1 ILE 27 -10.823 2.304 -6.340 221 HD13 ILE 27 2HD1 ILE 27 -10.302 0.679 -5.891 222 H GLY 28 H GLY 28 -12.973 -1.728 -3.992 223 HA2 GLY 28 1HA GLY 28 -14.571 -2.761 -2.124 224 HA3 GLY 28 2HA GLY 28 -15.346 -3.459 -3.549 225 H TRP 29 H TRP 29 -13.361 -4.231 -5.162 226 HA TRP 29 HA TRP 29 -12.206 -6.488 -3.751 227 HB2 TRP 29 1HB TRP 29 -12.919 -6.160 -6.316 228 HB3 TRP 29 2HB TRP 29 -11.229 -5.678 -6.483 229 HD1 TRP 29 HD1 TRP 29 -13.229 -8.655 -4.961 230 HE1 TRP 29 HE1 TRP 29 -11.808 -10.785 -5.340 231 HE3 TRP 29 HE3 TRP 29 -9.148 -6.581 -7.129 232 HZ2 TRP 29 HZ2 TRP 29 -9.271 -11.493 -6.428 233 HZ3 TRP 29 HZ3 TRP 29 -7.248 -7.967 -7.834 234 HH2 TRP 29 HH2 TRP 29 -7.282 -10.434 -7.492 235 H CYS 30 H CYS 30 -9.768 -6.902 -3.847 236 HA CYS 30 HA CYS 30 -8.075 -4.499 -3.956 237 HB2 CYS 30 1HB CYS 30 -8.418 -6.065 -1.381 238 HB3 CYS 30 2HB CYS 30 -7.280 -4.743 -1.640 239 HA PRO 31 HA PRO 31 -5.669 -7.876 -5.764 240 HB2 PRO 31 1HB PRO 31 -3.447 -6.053 -4.863 241 HB3 PRO 31 2HB PRO 31 -3.617 -6.944 -6.388 242 HG2 PRO 31 1HG PRO 31 -4.187 -4.346 -6.245 243 HG3 PRO 31 2HG PRO 31 -5.152 -5.447 -7.244 244 HD2 PRO 31 1HD PRO 31 -5.880 -4.137 -4.670 245 HD3 PRO 31 2HD PRO 31 -6.937 -4.720 -5.974 246 H PHE 32 H PHE 32 -3.402 -6.723 -3.247 247 HA PHE 32 HA PHE 32 -4.177 -8.663 -1.281 248 HB2 PHE 32 1HB PHE 32 -3.091 -9.963 -3.372 249 HB3 PHE 32 2HB PHE 32 -1.595 -9.525 -2.567 250 HD1 PHE 32 HD2 PHE 32 -1.942 -9.794 0.214 251 HD2 PHE 32 HD1 PHE 32 -3.800 -12.132 -2.877 252 HE1 PHE 32 HE2 PHE 32 -2.259 -11.657 1.813 253 HE2 PHE 32 HE1 PHE 32 -4.115 -13.995 -1.274 254 HZ PHE 32 HZ PHE 32 -3.344 -13.758 1.071 255 H TRP 33 H TRP 33 -3.721 -6.283 -0.476 256 HA TRP 33 HA TRP 33 -1.029 -5.384 -0.185 257 HB2 TRP 33 1HB TRP 33 -3.602 -4.803 1.174 258 HB3 TRP 33 2HB TRP 33 -2.158 -4.338 2.038 259 HD1 TRP 33 HD1 TRP 33 -0.602 -2.565 0.930 260 HE1 TRP 33 HE1 TRP 33 -1.046 -0.705 -0.808 261 HE3 TRP 33 HE3 TRP 33 -5.047 -4.183 -0.949 262 HZ2 TRP 33 HZ2 TRP 33 -3.021 -0.004 -2.718 263 HZ3 TRP 33 HZ3 TRP 33 -6.200 -2.897 -2.726 264 HH2 TRP 33 HH2 TRP 33 -5.194 -0.812 -3.620 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 24.625 -6.831 4.285 2 H2 ASN 1 2H ASN 1 23.509 -7.969 3.697 3 H3 ASN 1 3H ASN 1 23.612 -7.660 5.364 4 HA ASN 1 HA ASN 1 22.639 -5.562 5.179 5 HB2 ASN 1 1HB ASN 1 23.240 -5.899 2.232 6 HB3 ASN 1 2HB ASN 1 22.159 -4.646 2.843 7 HD21 ASN 1 2HD2 ASN 1 23.749 -2.993 2.108 8 HD22 ASN 1 1HD2 ASN 1 25.154 -2.707 3.016 9 H GLU 2 H GLU 2 20.361 -5.259 4.927 10 HA GLU 2 HA GLU 2 18.729 -7.521 4.987 11 HB2 GLU 2 1HB GLU 2 16.900 -5.826 4.157 12 HB3 GLU 2 2HB GLU 2 17.691 -5.547 5.706 13 HG2 GLU 2 1HG GLU 2 19.152 -3.904 4.779 14 HG3 GLU 2 2HG GLU 2 18.718 -4.347 3.128 15 H LEU 3 H LEU 3 18.880 -9.077 3.399 16 HA LEU 3 HA LEU 3 19.383 -8.657 0.659 17 HB2 LEU 3 1HB LEU 3 18.236 -10.841 2.312 18 HB3 LEU 3 2HB LEU 3 17.714 -10.876 0.631 19 HG LEU 3 HG LEU 3 20.129 -10.748 -0.059 20 HD11 LEU 3 1HD1 LEU 3 21.869 -11.060 1.559 21 HD12 LEU 3 2HD1 LEU 3 20.706 -11.371 2.847 22 HD13 LEU 3 3HD1 LEU 3 20.861 -9.752 2.171 23 HD21 LEU 3 3HD2 LEU 3 18.954 -12.904 0.043 24 HD22 LEU 3 1HD2 LEU 3 19.345 -13.048 1.758 25 HD23 LEU 3 2HD2 LEU 3 20.632 -13.099 0.552 26 H ASP 4 H ASP 4 16.702 -7.742 2.494 27 HA ASP 4 HA ASP 4 14.860 -7.657 0.151 28 HB2 ASP 4 1HB ASP 4 13.193 -6.847 1.819 29 HB3 ASP 4 2HB ASP 4 13.885 -8.405 2.269 30 H VAL 5 H VAL 5 16.295 -6.060 -0.927 31 HA VAL 5 HA VAL 5 16.707 -3.476 0.266 32 HB VAL 5 HB VAL 5 17.090 -4.604 -2.502 33 HG11 VAL 5 1HG1 VAL 5 16.359 -2.414 -3.052 34 HG12 VAL 5 2HG1 VAL 5 18.121 -2.320 -3.045 35 HG13 VAL 5 3HG1 VAL 5 17.199 -1.701 -1.674 36 HG21 VAL 5 3HG2 VAL 5 19.431 -4.045 -2.029 37 HG22 VAL 5 1HG2 VAL 5 18.765 -5.040 -0.733 38 HG23 VAL 5 2HG2 VAL 5 18.957 -3.301 -0.501 39 HA PRO 6 HA PRO 6 12.922 -2.445 -2.755 40 HB2 PRO 6 1HB PRO 6 11.294 -4.755 -1.766 41 HB3 PRO 6 2HB PRO 6 11.284 -3.961 -3.346 42 HG2 PRO 6 1HG PRO 6 12.455 -6.304 -3.058 43 HG3 PRO 6 2HG PRO 6 13.208 -5.041 -4.055 44 HD2 PRO 6 1HD PRO 6 13.923 -5.925 -1.282 45 HD3 PRO 6 2HD PRO 6 14.990 -5.434 -2.612 46 H GLU 7 H GLU 7 13.155 -0.918 -0.995 47 HA GLU 7 HA GLU 7 11.433 -1.311 1.374 48 HB2 GLU 7 1HB GLU 7 13.463 0.810 0.634 49 HB3 GLU 7 2HB GLU 7 12.420 0.941 2.051 50 HG2 GLU 7 1HG GLU 7 14.197 -1.453 1.532 51 HG3 GLU 7 2HG GLU 7 14.710 -0.067 2.491 52 H GLN 8 H GLN 8 11.937 1.125 -1.211 53 HA GLN 8 HA GLN 8 9.566 2.593 -0.644 54 HB2 GLN 8 1HB GLN 8 11.041 2.153 -3.259 55 HB3 GLN 8 2HB GLN 8 9.668 3.253 -3.095 56 HG2 GLN 8 1HG GLN 8 12.108 3.444 -1.317 57 HG3 GLN 8 2HG GLN 8 11.988 4.308 -2.851 58 HE21 GLN 8 2HE2 GLN 8 10.585 4.066 0.409 59 HE22 GLN 8 1HE2 GLN 8 9.754 5.544 0.345 60 H VAL 9 H VAL 9 9.994 -0.551 -1.614 61 HA VAL 9 HA VAL 9 7.490 -0.804 -3.129 62 HB VAL 9 HB VAL 9 9.512 -2.810 -2.079 63 HG11 VAL 9 1HG1 VAL 9 7.483 -4.004 -1.985 64 HG12 VAL 9 2HG1 VAL 9 8.150 -4.423 -3.566 65 HG13 VAL 9 3HG1 VAL 9 6.855 -3.231 -3.444 66 HG21 VAL 9 3HG2 VAL 9 9.586 -3.200 -4.705 67 HG22 VAL 9 1HG2 VAL 9 10.483 -1.867 -3.980 68 HG23 VAL 9 2HG2 VAL 9 8.931 -1.565 -4.762 69 H ASP 10 H ASP 10 8.731 -2.450 -0.238 70 HA ASP 10 HA ASP 10 6.320 -3.275 0.875 71 HB2 ASP 10 1HB ASP 10 8.409 -3.948 1.860 72 HB3 ASP 10 2HB ASP 10 8.843 -2.277 2.225 73 H LYS 11 H LYS 11 7.820 -0.057 1.044 74 HA LYS 11 HA LYS 11 5.848 1.037 2.845 75 HB2 LYS 11 1HB LYS 11 7.921 2.176 0.983 76 HB3 LYS 11 2HB LYS 11 6.674 3.254 1.603 77 HG2 LYS 11 1HG LYS 11 8.465 3.446 3.143 78 HG3 LYS 11 2HG LYS 11 7.315 2.384 3.943 79 HD2 LYS 11 1HD LYS 11 8.630 0.427 2.999 80 HD3 LYS 11 2HD LYS 11 9.850 1.593 2.490 81 HE2 LYS 11 1HE LYS 11 10.604 0.849 4.607 82 HE3 LYS 11 2HE LYS 11 9.834 2.398 4.945 83 HZ1 LYS 11 3HZ LYS 11 8.148 1.423 6.041 84 HZ2 LYS 11 1HZ LYS 11 9.260 0.160 6.252 85 HZ3 LYS 11 2HZ LYS 11 8.100 0.070 5.014 86 H LEU 12 H LEU 12 6.255 1.063 -0.688 87 HA LEU 12 HA LEU 12 3.868 2.424 -1.353 88 HB2 LEU 12 1HB LEU 12 5.700 0.507 -2.658 89 HB3 LEU 12 2HB LEU 12 4.162 0.730 -3.435 90 HG LEU 12 HG LEU 12 6.264 2.220 -4.081 91 HD11 LEU 12 1HD1 LEU 12 4.106 2.455 -5.141 92 HD12 LEU 12 2HD1 LEU 12 4.692 4.063 -4.715 93 HD13 LEU 12 3HD1 LEU 12 3.453 3.287 -3.729 94 HD21 LEU 12 3HD2 LEU 12 5.112 4.199 -2.140 95 HD22 LEU 12 1HD2 LEU 12 6.719 4.120 -2.855 96 HD23 LEU 12 2HD2 LEU 12 6.296 3.049 -1.535 97 H ILE 13 H ILE 13 4.481 -1.093 -1.187 98 HA ILE 13 HA ILE 13 1.872 -2.041 -1.478 99 HB ILE 13 HB ILE 13 4.047 -2.975 0.412 100 HG12 ILE 13 1HG1 ILE 13 3.393 -3.483 -2.495 101 HG13 ILE 13 2HG1 ILE 13 4.908 -2.944 -1.802 102 HG21 ILE 13 1HG2 ILE 13 2.938 -5.115 0.458 103 HG22 ILE 13 2HG2 ILE 13 1.744 -4.583 -0.725 104 HG23 ILE 13 3HG2 ILE 13 1.742 -3.905 0.901 105 HD11 ILE 13 3HD1 ILE 13 3.686 -5.687 -1.653 106 HD12 ILE 13 1HD1 ILE 13 5.003 -5.181 -0.597 107 HD13 ILE 13 2HD1 ILE 13 5.242 -5.224 -2.343 108 H GLN 14 H GLN 14 3.470 -1.279 1.608 109 HA GLN 14 HA GLN 14 1.267 -1.443 3.314 110 HB2 GLN 14 1HB GLN 14 3.809 0.081 3.296 111 HB3 GLN 14 2HB GLN 14 2.624 0.577 4.479 112 HG2 GLN 14 1HG GLN 14 2.554 -1.660 5.423 113 HG3 GLN 14 2HG GLN 14 3.585 -2.278 4.131 114 HE21 GLN 14 2HE2 GLN 14 4.987 -2.926 6.099 115 HE22 GLN 14 1HE2 GLN 14 6.078 -1.767 6.690 116 H GLN 15 H GLN 15 2.143 1.104 1.058 117 HA GLN 15 HA GLN 15 0.017 2.880 2.005 118 HB2 GLN 15 1HB GLN 15 2.183 2.997 -0.017 119 HB3 GLN 15 2HB GLN 15 0.862 4.127 -0.180 120 HG2 GLN 15 1HG GLN 15 2.371 3.756 2.411 121 HG3 GLN 15 2HG GLN 15 2.888 4.914 1.183 122 HE21 GLN 15 2HE2 GLN 15 2.360 6.562 2.963 123 HE22 GLN 15 1HE2 GLN 15 0.751 7.083 3.110 124 H ALA 16 H ALA 16 0.810 1.602 -1.217 125 HA ALA 16 HA ALA 16 -1.664 1.996 -2.440 126 HB1 ALA 16 3HB ALA 16 0.440 1.134 -3.543 127 HB2 ALA 16 1HB ALA 16 -1.032 0.295 -4.032 128 HB3 ALA 16 2HB ALA 16 0.066 -0.453 -2.871 129 H THR 17 H THR 17 -1.058 0.010 0.236 130 HA THR 17 HA THR 17 -3.087 -2.001 -0.349 131 HB THR 17 HB THR 17 -2.845 -2.231 2.309 132 HG1 THR 17 HG1 THR 17 -1.484 -0.155 1.991 133 HG21 THR 17 3HG2 THR 17 -0.888 -3.018 0.157 134 HG22 THR 17 1HG2 THR 17 -2.061 -4.023 1.010 135 HG23 THR 17 2HG2 THR 17 -0.606 -3.469 1.838 136 H SER 18 H SER 18 -2.924 0.947 1.635 137 HA SER 18 HA SER 18 -5.470 0.906 2.727 138 HB2 SER 18 1HB SER 18 -3.579 3.048 1.953 139 HB3 SER 18 2HB SER 18 -5.230 3.530 2.311 140 HG SER 18 HG SER 18 -4.668 1.892 4.197 141 H ILE 19 H ILE 19 -4.498 1.568 -0.600 142 HA ILE 19 HA ILE 19 -6.669 2.917 -1.647 143 HB ILE 19 HB ILE 19 -5.127 0.564 -2.732 144 HG12 ILE 19 1HG1 ILE 19 -5.017 3.525 -3.376 145 HG13 ILE 19 2HG1 ILE 19 -3.960 2.748 -2.196 146 HG21 ILE 19 1HG2 ILE 19 -5.993 1.433 -4.943 147 HG22 ILE 19 2HG2 ILE 19 -7.167 2.364 -4.016 148 HG23 ILE 19 3HG2 ILE 19 -7.173 0.604 -3.933 149 HD11 ILE 19 3HD1 ILE 19 -3.217 1.174 -3.985 150 HD12 ILE 19 1HD1 ILE 19 -2.803 2.854 -4.321 151 HD13 ILE 19 2HD1 ILE 19 -4.172 2.102 -5.138 152 H GLU 20 H GLU 20 -6.461 -0.199 -0.262 153 HA GLU 20 HA GLU 20 -9.026 -1.230 -1.228 154 HB2 GLU 20 1HB GLU 20 -7.133 -2.111 0.968 155 HB3 GLU 20 2HB GLU 20 -8.652 -2.939 0.622 156 HG2 GLU 20 1HG GLU 20 -7.931 -3.396 -1.662 157 HG3 GLU 20 2HG GLU 20 -6.450 -2.471 -1.410 158 H ARG 21 H ARG 21 -7.711 0.264 1.664 159 HA ARG 21 HA ARG 21 -10.120 0.295 3.218 160 HB2 ARG 21 1HB ARG 21 -7.508 1.838 3.263 161 HB3 ARG 21 2HB ARG 21 -8.816 2.250 4.372 162 HG2 ARG 21 1HG ARG 21 -8.441 -0.625 4.471 163 HG3 ARG 21 2HG ARG 21 -6.865 0.136 4.630 164 HD2 ARG 21 1HD ARG 21 -9.275 0.932 6.285 165 HD3 ARG 21 2HD ARG 21 -8.060 -0.231 6.816 166 HE ARG 21 HE ARG 21 -6.869 2.285 5.976 167 HH11 ARG 21 1HH2 ARG 21 -8.493 0.580 8.494 168 HH12 ARG 21 2HH2 ARG 21 -7.819 1.545 9.764 169 HH21 ARG 21 1HH1 ARG 21 -5.979 3.555 7.622 170 HH22 ARG 21 2HH1 ARG 21 -6.396 3.228 9.271 171 H LEU 22 H LEU 22 -8.736 2.447 0.788 172 HA LEU 22 HA LEU 22 -10.470 4.651 1.188 173 HB2 LEU 22 1HB LEU 22 -8.551 3.700 -0.810 174 HB3 LEU 22 2HB LEU 22 -9.647 4.923 -1.352 175 HG LEU 22 HG LEU 22 -8.955 6.334 0.454 176 HD11 LEU 22 1HD1 LEU 22 -8.427 4.895 2.211 177 HD12 LEU 22 2HD1 LEU 22 -6.901 5.653 1.766 178 HD13 LEU 22 3HD1 LEU 22 -7.266 4.023 1.221 179 HD21 LEU 22 3HD2 LEU 22 -6.679 5.196 -1.131 180 HD22 LEU 22 1HD2 LEU 22 -6.615 6.736 -0.275 181 HD23 LEU 22 2HD2 LEU 22 -7.734 6.520 -1.619 182 H CYS 23 H CYS 23 -10.330 2.535 -1.633 183 HA CYS 23 HA CYS 23 -12.793 3.173 -2.776 184 HB2 CYS 23 1HB CYS 23 -12.789 0.895 -3.784 185 HB3 CYS 23 2HB CYS 23 -11.235 1.704 -3.924 186 H GLN 24 H GLN 24 -12.345 0.304 -0.656 187 HA GLN 24 HA GLN 24 -15.022 -0.401 -0.363 188 HB2 GLN 24 1HB GLN 24 -12.839 -0.427 1.740 189 HB3 GLN 24 2HB GLN 24 -14.382 -1.265 1.901 190 HG2 GLN 24 1HG GLN 24 -13.867 -2.488 -0.233 191 HG3 GLN 24 2HG GLN 24 -12.265 -1.751 -0.211 192 HE21 GLN 24 2HE2 GLN 24 -11.106 -3.739 0.184 193 HE22 GLN 24 1HE2 GLN 24 -11.244 -4.592 1.645 194 H HIS 25 H HIS 25 -13.330 2.315 1.085 195 HA HIS 25 HA HIS 25 -15.679 2.976 2.774 196 HB2 HIS 25 1HB HIS 25 -13.299 3.136 3.629 197 HB3 HIS 25 2HB HIS 25 -13.074 4.493 2.525 198 HD1 HIS 25 HD1 HIS 25 -14.835 6.541 2.871 199 HD2 HIS 25 HD2 HIS 25 -14.510 3.835 6.030 200 HE1 HIS 25 HE1 HIS 25 -15.839 7.681 4.900 201 HE2 HIS 25 HE2 HIS 25 -15.646 6.043 6.828 202 H TYR 26 H TYR 26 -13.555 4.975 0.692 203 HA TYR 26 HA TYR 26 -15.581 6.952 0.265 204 HB2 TYR 26 1HB TYR 26 -13.042 6.356 -1.261 205 HB3 TYR 26 2HB TYR 26 -14.011 7.804 -1.477 206 HD1 TYR 26 HD1 TYR 26 -14.652 8.989 0.909 207 HD2 TYR 26 HD2 TYR 26 -11.218 6.532 0.157 208 HE1 TYR 26 HE1 TYR 26 -13.493 10.010 2.850 209 HE2 TYR 26 HE2 TYR 26 -10.054 7.538 2.101 210 HH TYR 26 HH TYR 26 -10.129 9.520 3.452 211 H ILE 27 H ILE 27 -14.094 4.845 -2.235 212 HA ILE 27 HA ILE 27 -16.589 5.141 -3.830 213 HB ILE 27 HB ILE 27 -13.954 3.921 -4.673 214 HG12 ILE 27 1HG1 ILE 27 -13.968 6.351 -5.854 215 HG13 ILE 27 2HG1 ILE 27 -14.864 6.782 -4.414 216 HG21 ILE 27 1HG2 ILE 27 -14.829 4.424 -6.929 217 HG22 ILE 27 2HG2 ILE 27 -16.310 5.057 -6.213 218 HG23 ILE 27 3HG2 ILE 27 -15.913 3.347 -6.050 219 HD11 ILE 27 3HD1 ILE 27 -12.009 6.070 -4.748 220 HD12 ILE 27 1HD1 ILE 27 -12.783 5.389 -3.324 221 HD13 ILE 27 2HD1 ILE 27 -12.776 7.128 -3.567 222 H GLY 28 H GLY 28 -14.356 2.369 -3.864 223 HA2 GLY 28 1HA GLY 28 -15.322 0.309 -2.561 224 HA3 GLY 28 2HA GLY 28 -16.734 0.579 -3.580 225 H TRP 29 H TRP 29 -14.274 1.516 -5.501 226 HA TRP 29 HA TRP 29 -14.271 -1.057 -6.940 227 HB2 TRP 29 1HB TRP 29 -14.438 1.378 -7.951 228 HB3 TRP 29 2HB TRP 29 -12.681 1.363 -7.802 229 HD1 TRP 29 HD1 TRP 29 -12.069 -1.620 -8.624 230 HE1 TRP 29 HE1 TRP 29 -12.494 -2.390 -11.055 231 HE3 TRP 29 HE3 TRP 29 -15.382 1.942 -10.095 232 HZ2 TRP 29 HZ2 TRP 29 -14.035 -1.593 -13.309 233 HZ3 TRP 29 HZ3 TRP 29 -16.316 1.927 -12.366 234 HH2 TRP 29 HH2 TRP 29 -15.657 0.167 -13.997 235 H CYS 30 H CYS 30 -12.759 -2.555 -6.494 236 HA CYS 30 HA CYS 30 -9.951 -1.827 -6.235 237 HB2 CYS 30 1HB CYS 30 -11.592 -2.550 -3.857 238 HB3 CYS 30 2HB CYS 30 -9.985 -3.272 -3.956 239 HA PRO 31 HA PRO 31 -10.511 -5.692 -8.666 240 HB2 PRO 31 1HB PRO 31 -7.520 -5.396 -8.462 241 HB3 PRO 31 2HB PRO 31 -8.504 -5.906 -9.847 242 HG2 PRO 31 1HG PRO 31 -7.591 -3.439 -9.720 243 HG3 PRO 31 2HG PRO 31 -9.251 -3.747 -10.269 244 HD2 PRO 31 1HD PRO 31 -8.310 -2.638 -7.653 245 HD3 PRO 31 2HD PRO 31 -9.804 -2.287 -8.550 246 H PHE 32 H PHE 32 -7.433 -6.252 -6.948 247 HA PHE 32 HA PHE 32 -8.483 -7.719 -4.738 248 HB2 PHE 32 1HB PHE 32 -9.367 -9.290 -6.374 249 HB3 PHE 32 2HB PHE 32 -7.824 -9.340 -7.220 250 HD1 PHE 32 HD1 PHE 32 -9.191 -9.834 -3.755 251 HD2 PHE 32 HD2 PHE 32 -6.412 -11.151 -6.759 252 HE1 PHE 32 HE1 PHE 32 -8.475 -11.694 -2.280 253 HE2 PHE 32 HE2 PHE 32 -5.697 -13.008 -5.282 254 HZ PHE 32 HZ PHE 32 -6.728 -13.280 -3.043 255 H TRP 33 H TRP 33 -6.569 -6.282 -4.178 256 HA TRP 33 HA TRP 33 -3.930 -6.602 -4.977 257 HB2 TRP 33 1HB TRP 33 -5.228 -5.913 -2.393 258 HB3 TRP 33 2HB TRP 33 -3.513 -6.256 -2.346 259 HD1 TRP 33 HD1 TRP 33 -1.963 -4.403 -3.024 260 HE1 TRP 33 HE1 TRP 33 -2.225 -2.060 -4.087 261 HE3 TRP 33 HE3 TRP 33 -6.905 -4.543 -4.231 262 HZ2 TRP 33 HZ2 TRP 33 -4.261 -0.476 -5.279 263 HZ3 TRP 33 HZ3 TRP 33 -7.981 -2.619 -5.335 264 HH2 TRP 33 HH2 TRP 33 -6.674 -0.586 -5.871 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 13.814 -17.595 0.058 2 H2 ASN 1 2H ASN 1 13.625 -17.217 1.703 3 H3 ASN 1 3H ASN 1 15.068 -17.925 1.150 4 HA ASN 1 HA ASN 1 15.393 -15.570 1.549 5 HB2 ASN 1 1HB ASN 1 16.673 -16.619 -0.262 6 HB3 ASN 1 2HB ASN 1 15.335 -16.355 -1.382 7 HD21 ASN 1 2HD2 ASN 1 15.468 -13.736 0.748 8 HD22 ASN 1 1HD2 ASN 1 16.375 -12.672 -0.213 9 H GLU 2 H GLU 2 13.744 -14.174 2.173 10 HA GLU 2 HA GLU 2 11.464 -13.652 0.433 11 HB2 GLU 2 1HB GLU 2 11.759 -13.431 3.099 12 HB3 GLU 2 2HB GLU 2 12.169 -11.772 2.673 13 HG2 GLU 2 1HG GLU 2 9.818 -11.753 3.026 14 HG3 GLU 2 2HG GLU 2 10.011 -11.769 1.273 15 H LEU 3 H LEU 3 11.734 -12.470 -1.394 16 HA LEU 3 HA LEU 3 13.971 -10.688 -1.795 17 HB2 LEU 3 1HB LEU 3 11.415 -11.226 -3.309 18 HB3 LEU 3 2HB LEU 3 12.529 -9.960 -3.823 19 HG LEU 3 HG LEU 3 14.348 -11.601 -3.997 20 HD11 LEU 3 1HD1 LEU 3 13.866 -13.207 -2.324 21 HD12 LEU 3 2HD1 LEU 3 13.608 -14.075 -3.837 22 HD13 LEU 3 3HD1 LEU 3 12.227 -13.467 -2.925 23 HD21 LEU 3 3HD2 LEU 3 13.437 -12.916 -5.893 24 HD22 LEU 3 1HD2 LEU 3 12.912 -11.233 -5.963 25 HD23 LEU 3 2HD2 LEU 3 11.802 -12.481 -5.395 26 H ASP 4 H ASP 4 11.709 -10.283 0.355 27 HA ASP 4 HA ASP 4 10.564 -7.709 -0.270 28 HB2 ASP 4 1HB ASP 4 9.914 -7.683 2.117 29 HB3 ASP 4 2HB ASP 4 9.534 -9.235 1.372 30 H VAL 5 H VAL 5 13.408 -7.700 -0.681 31 HA VAL 5 HA VAL 5 14.628 -6.303 1.556 32 HB VAL 5 HB VAL 5 15.732 -6.342 -1.251 33 HG11 VAL 5 1HG1 VAL 5 17.874 -6.391 -0.021 34 HG12 VAL 5 2HG1 VAL 5 16.991 -6.398 1.506 35 HG13 VAL 5 3HG1 VAL 5 16.904 -4.993 0.442 36 HG21 VAL 5 3HG2 VAL 5 15.690 -8.555 0.816 37 HG22 VAL 5 1HG2 VAL 5 16.845 -8.509 -0.516 38 HG23 VAL 5 2HG2 VAL 5 15.118 -8.634 -0.850 39 HA PRO 6 HA PRO 6 13.831 -2.684 -1.830 40 HB2 PRO 6 1HB PRO 6 10.991 -3.643 -2.099 41 HB3 PRO 6 2HB PRO 6 11.985 -2.728 -3.260 42 HG2 PRO 6 1HG PRO 6 11.657 -5.265 -3.652 43 HG3 PRO 6 2HG PRO 6 13.305 -4.603 -3.748 44 HD2 PRO 6 1HD PRO 6 12.012 -6.103 -1.490 45 HD3 PRO 6 2HD PRO 6 13.641 -6.308 -2.173 46 H GLU 7 H GLU 7 13.755 -0.953 -0.460 47 HA GLU 7 HA GLU 7 11.983 -1.042 1.889 48 HB2 GLU 7 1HB GLU 7 14.315 -0.472 2.268 49 HB3 GLU 7 2HB GLU 7 14.196 0.869 1.129 50 HG2 GLU 7 1HG GLU 7 12.728 2.087 2.550 51 HG3 GLU 7 2HG GLU 7 12.402 0.672 3.552 52 H GLN 8 H GLN 8 12.879 1.759 -0.206 53 HA GLN 8 HA GLN 8 10.611 3.271 0.379 54 HB2 GLN 8 1HB GLN 8 10.837 4.160 -2.060 55 HB3 GLN 8 2HB GLN 8 12.162 4.439 -0.923 56 HG2 GLN 8 1HG GLN 8 13.376 2.552 -1.746 57 HG3 GLN 8 2HG GLN 8 12.019 2.044 -2.740 58 HE21 GLN 8 2HE2 GLN 8 11.341 4.742 -3.702 59 HE22 GLN 8 1HE2 GLN 8 12.581 5.214 -4.759 60 H VAL 9 H VAL 9 10.902 0.444 -1.346 61 HA VAL 9 HA VAL 9 8.457 0.567 -2.883 62 HB VAL 9 HB VAL 9 10.442 -1.513 -2.042 63 HG11 VAL 9 1HG1 VAL 9 7.719 -2.078 -3.245 64 HG12 VAL 9 2HG1 VAL 9 8.427 -2.790 -1.795 65 HG13 VAL 9 3HG1 VAL 9 9.066 -3.206 -3.384 66 HG21 VAL 9 3HG2 VAL 9 11.134 -0.432 -4.005 67 HG22 VAL 9 1HG2 VAL 9 9.502 -0.352 -4.665 68 HG23 VAL 9 2HG2 VAL 9 10.360 -1.888 -4.627 69 H ASP 10 H ASP 10 9.371 -1.395 -0.043 70 HA ASP 10 HA ASP 10 6.834 -2.211 0.777 71 HB2 ASP 10 1HB ASP 10 8.838 -2.979 1.942 72 HB3 ASP 10 2HB ASP 10 9.176 -1.343 2.508 73 H LYS 11 H LYS 11 8.514 0.812 1.619 74 HA LYS 11 HA LYS 11 6.454 1.990 3.178 75 HB2 LYS 11 1HB LYS 11 8.433 3.295 1.282 76 HB3 LYS 11 2HB LYS 11 7.416 4.178 2.420 77 HG2 LYS 11 1HG LYS 11 8.517 2.411 4.153 78 HG3 LYS 11 2HG LYS 11 9.804 2.443 2.951 79 HD2 LYS 11 1HD LYS 11 9.958 4.882 3.147 80 HD3 LYS 11 2HD LYS 11 8.614 4.886 4.291 81 HE2 LYS 11 1HE LYS 11 10.994 4.961 5.282 82 HE3 LYS 11 2HE LYS 11 9.877 3.776 5.958 83 HZ1 LYS 11 3HZ LYS 11 10.854 2.063 4.678 84 HZ2 LYS 11 1HZ LYS 11 12.132 2.906 5.406 85 HZ3 LYS 11 2HZ LYS 11 11.774 3.161 3.764 86 H LEU 12 H LEU 12 7.077 2.226 -0.325 87 HA LEU 12 HA LEU 12 4.763 3.708 -1.009 88 HB2 LEU 12 1HB LEU 12 6.703 1.935 -2.366 89 HB3 LEU 12 2HB LEU 12 5.233 2.256 -3.245 90 HG LEU 12 HG LEU 12 7.355 3.785 -3.564 91 HD11 LEU 12 1HD1 LEU 12 5.879 5.701 -4.091 92 HD12 LEU 12 2HD1 LEU 12 4.576 4.930 -3.185 93 HD13 LEU 12 3HD1 LEU 12 5.200 4.172 -4.650 94 HD21 LEU 12 3HD2 LEU 12 6.145 5.523 -1.442 95 HD22 LEU 12 1HD2 LEU 12 7.793 5.479 -2.070 96 HD23 LEU 12 2HD2 LEU 12 7.256 4.263 -0.933 97 H ILE 13 H ILE 13 5.324 0.180 -1.224 98 HA ILE 13 HA ILE 13 2.689 -0.604 -1.824 99 HB ILE 13 HB ILE 13 4.698 -1.954 -0.011 100 HG12 ILE 13 1HG1 ILE 13 4.293 -1.881 -3.000 101 HG13 ILE 13 2HG1 ILE 13 5.758 -1.571 -2.097 102 HG21 ILE 13 1HG2 ILE 13 3.527 -3.994 -0.413 103 HG22 ILE 13 2HG2 ILE 13 2.493 -3.240 -1.628 104 HG23 ILE 13 3HG2 ILE 13 2.307 -2.824 0.074 105 HD11 ILE 13 3HD1 ILE 13 4.420 -4.214 -2.588 106 HD12 ILE 13 1HD1 ILE 13 5.631 -3.996 -1.327 107 HD13 ILE 13 2HD1 ILE 13 6.060 -3.724 -3.015 108 H GLN 14 H GLN 14 4.219 -0.390 1.371 109 HA GLN 14 HA GLN 14 2.033 -0.789 3.034 110 HB2 GLN 14 1HB GLN 14 4.397 1.025 3.272 111 HB3 GLN 14 2HB GLN 14 3.283 0.807 4.588 112 HG2 GLN 14 1HG GLN 14 4.530 -1.588 3.250 113 HG3 GLN 14 2HG GLN 14 5.418 -0.701 4.488 114 HE21 GLN 14 2HE2 GLN 14 5.032 -3.093 5.422 115 HE22 GLN 14 1HE2 GLN 14 3.671 -3.247 6.425 116 H GLN 15 H GLN 15 3.066 2.186 1.420 117 HA GLN 15 HA GLN 15 1.039 3.859 2.563 118 HB2 GLN 15 1HB GLN 15 2.959 4.010 0.317 119 HB3 GLN 15 2HB GLN 15 1.638 5.148 0.265 120 HG2 GLN 15 1HG GLN 15 2.236 5.907 2.553 121 HG3 GLN 15 2HG GLN 15 3.591 4.777 2.555 122 HE21 GLN 15 2HE2 GLN 15 5.252 5.129 0.751 123 HE22 GLN 15 1HE2 GLN 15 5.523 6.717 0.218 124 H ALA 16 H ALA 16 0.898 1.338 0.333 125 HA ALA 16 HA ALA 16 -1.307 2.350 -1.279 126 HB1 ALA 16 3HB ALA 16 0.398 0.499 -1.888 127 HB2 ALA 16 1HB ALA 16 -1.289 0.232 -2.327 128 HB3 ALA 16 2HB ALA 16 -0.612 -0.564 -0.907 129 H THR 17 H THR 17 -1.032 1.227 1.894 130 HA THR 17 HA THR 17 -3.362 -0.313 2.304 131 HB THR 17 HB THR 17 -3.389 0.854 4.600 132 HG1 THR 17 HG1 THR 17 -1.505 2.098 4.981 133 HG21 THR 17 3HG2 THR 17 -0.936 -0.521 3.492 134 HG22 THR 17 1HG2 THR 17 -2.267 -1.246 4.394 135 HG23 THR 17 2HG2 THR 17 -1.134 -0.166 5.207 136 H SER 18 H SER 18 -2.936 3.115 1.773 137 HA SER 18 HA SER 18 -5.563 3.980 2.451 138 HB2 SER 18 1HB SER 18 -3.292 5.053 0.888 139 HB3 SER 18 2HB SER 18 -4.863 5.783 0.605 140 HG SER 18 HG SER 18 -3.297 5.681 2.937 141 H ILE 19 H ILE 19 -4.206 3.764 -0.836 142 HA ILE 19 HA ILE 19 -6.486 3.827 -2.344 143 HB ILE 19 HB ILE 19 -4.042 2.081 -2.705 144 HG12 ILE 19 1HG1 ILE 19 -4.780 4.770 -3.898 145 HG13 ILE 19 2HG1 ILE 19 -3.765 4.591 -2.466 146 HG21 ILE 19 1HG2 ILE 19 -6.276 2.873 -4.565 147 HG22 ILE 19 2HG2 ILE 19 -5.768 1.246 -4.120 148 HG23 ILE 19 3HG2 ILE 19 -4.728 2.250 -5.124 149 HD11 ILE 19 3HD1 ILE 19 -2.352 4.792 -4.439 150 HD12 ILE 19 1HD1 ILE 19 -3.210 3.463 -5.215 151 HD13 ILE 19 2HD1 ILE 19 -2.223 3.158 -3.788 152 H GLU 20 H GLU 20 -5.294 1.236 -0.346 153 HA GLU 20 HA GLU 20 -7.150 -0.784 -1.352 154 HB2 GLU 20 1HB GLU 20 -5.313 -0.601 1.039 155 HB3 GLU 20 2HB GLU 20 -6.473 -1.920 0.895 156 HG2 GLU 20 1HG GLU 20 -5.503 -2.648 -1.183 157 HG3 GLU 20 2HG GLU 20 -4.479 -1.214 -1.271 158 H ARG 21 H ARG 21 -6.934 1.317 1.503 159 HA ARG 21 HA ARG 21 -9.411 0.538 2.686 160 HB2 ARG 21 1HB ARG 21 -7.565 2.901 2.874 161 HB3 ARG 21 2HB ARG 21 -9.181 3.064 3.570 162 HG2 ARG 21 1HG ARG 21 -7.381 0.713 4.203 163 HG3 ARG 21 2HG ARG 21 -7.326 2.209 5.131 164 HD2 ARG 21 1HD ARG 21 -10.090 1.301 4.821 165 HD3 ARG 21 2HD ARG 21 -9.090 0.054 5.565 166 HE ARG 21 HE ARG 21 -9.772 2.645 6.749 167 HH11 ARG 21 1HH2 ARG 21 -7.637 -0.062 6.640 168 HH12 ARG 21 2HH2 ARG 21 -7.076 0.147 8.266 169 HH21 ARG 21 1HH1 ARG 21 -9.047 2.934 8.871 170 HH22 ARG 21 2HH1 ARG 21 -7.874 1.843 9.528 171 H LEU 22 H LEU 22 -8.552 2.938 0.240 172 HA LEU 22 HA LEU 22 -11.042 4.222 -0.027 173 HB2 LEU 22 1HB LEU 22 -8.627 3.824 -1.655 174 HB3 LEU 22 2HB LEU 22 -10.022 4.407 -2.505 175 HG LEU 22 HG LEU 22 -10.175 6.191 -0.808 176 HD11 LEU 22 1HD1 LEU 22 -7.441 5.278 -0.051 177 HD12 LEU 22 2HD1 LEU 22 -8.883 5.053 0.933 178 HD13 LEU 22 3HD1 LEU 22 -8.290 6.675 0.600 179 HD21 LEU 22 3HD2 LEU 22 -7.641 6.028 -2.407 180 HD22 LEU 22 1HD2 LEU 22 -8.313 7.517 -1.746 181 HD23 LEU 22 2HD2 LEU 22 -9.197 6.624 -2.984 182 H CYS 23 H CYS 23 -9.611 1.847 -2.187 183 HA CYS 23 HA CYS 23 -11.935 1.214 -3.646 184 HB2 CYS 23 1HB CYS 23 -10.752 -0.662 -4.486 185 HB3 CYS 23 2HB CYS 23 -9.504 0.527 -4.109 186 H GLN 24 H GLN 24 -11.002 0.215 -0.434 187 HA GLN 24 HA GLN 24 -13.040 -1.950 -0.395 188 HB2 GLN 24 1HB GLN 24 -10.917 -1.046 1.558 189 HB3 GLN 24 2HB GLN 24 -12.150 -2.229 1.994 190 HG2 GLN 24 1HG GLN 24 -11.436 -3.587 -0.017 191 HG3 GLN 24 2HG GLN 24 -10.086 -2.471 -0.209 192 HE21 GLN 24 2HE2 GLN 24 -9.013 -2.072 2.204 193 HE22 GLN 24 1HE2 GLN 24 -8.623 -3.522 2.996 194 H HIS 25 H HIS 25 -12.520 1.304 0.862 195 HA HIS 25 HA HIS 25 -14.883 1.088 2.629 196 HB2 HIS 25 1HB HIS 25 -12.740 2.325 3.237 197 HB3 HIS 25 2HB HIS 25 -13.222 3.550 2.062 198 HD1 HIS 25 HD1 HIS 25 -14.105 2.156 5.424 199 HD2 HIS 25 HD2 HIS 25 -15.519 5.084 2.813 200 HE1 HIS 25 HE1 HIS 25 -15.758 3.555 6.742 201 HE2 HIS 25 HE2 HIS 25 -16.625 5.340 5.161 202 H TYR 26 H TYR 26 -13.955 3.660 0.310 203 HA TYR 26 HA TYR 26 -16.666 4.490 -0.065 204 HB2 TYR 26 1HB TYR 26 -14.333 4.960 -1.936 205 HB3 TYR 26 2HB TYR 26 -15.791 5.932 -1.791 206 HD1 TYR 26 HD2 TYR 26 -16.308 6.637 0.795 207 HD2 TYR 26 HD1 TYR 26 -12.437 5.830 -0.877 208 HE1 TYR 26 HE2 TYR 26 -15.250 7.986 2.588 209 HE2 TYR 26 HE1 TYR 26 -11.379 7.174 0.912 210 HH TYR 26 HH TYR 26 -13.284 9.094 3.137 211 H ILE 27 H ILE 27 -14.522 2.505 -2.129 212 HA ILE 27 HA ILE 27 -16.722 2.033 -4.029 213 HB ILE 27 HB ILE 27 -14.111 0.555 -4.041 214 HG12 ILE 27 1HG1 ILE 27 -13.479 2.867 -3.623 215 HG13 ILE 27 2HG1 ILE 27 -13.110 2.442 -5.295 216 HG21 ILE 27 1HG2 ILE 27 -14.406 0.747 -6.484 217 HG22 ILE 27 2HG2 ILE 27 -15.914 1.620 -6.208 218 HG23 ILE 27 3HG2 ILE 27 -15.767 -0.066 -5.711 219 HD11 ILE 27 3HD1 ILE 27 -14.166 4.586 -5.289 220 HD12 ILE 27 1HD1 ILE 27 -15.473 3.996 -4.272 221 HD13 ILE 27 2HD1 ILE 27 -15.325 3.428 -5.929 222 H GLY 28 H GLY 28 -14.539 -0.317 -2.457 223 HA2 GLY 28 1HA GLY 28 -15.309 -2.077 -0.947 224 HA3 GLY 28 2HA GLY 28 -16.921 -1.939 -1.649 225 H TRP 29 H TRP 29 -13.767 -2.179 -3.300 226 HA TRP 29 HA TRP 29 -14.105 -4.945 -4.053 227 HB2 TRP 29 1HB TRP 29 -15.728 -3.185 -5.486 228 HB3 TRP 29 2HB TRP 29 -14.340 -3.368 -6.552 229 HD1 TRP 29 HD1 TRP 29 -16.501 -5.837 -4.434 230 HE1 TRP 29 HE1 TRP 29 -16.979 -7.886 -5.940 231 HE3 TRP 29 HE3 TRP 29 -14.003 -4.430 -8.613 232 HZ2 TRP 29 HZ2 TRP 29 -16.372 -8.791 -8.572 233 HZ3 TRP 29 HZ3 TRP 29 -13.955 -5.870 -10.606 234 HH2 TRP 29 HH2 TRP 29 -15.134 -8.062 -10.610 235 H CYS 30 H CYS 30 -11.998 -5.584 -4.243 236 HA CYS 30 HA CYS 30 -10.115 -3.910 -5.810 237 HB2 CYS 30 1HB CYS 30 -9.131 -4.882 -3.140 238 HB3 CYS 30 2HB CYS 30 -8.601 -3.499 -4.094 239 HA PRO 31 HA PRO 31 -9.490 -8.481 -6.305 240 HB2 PRO 31 1HB PRO 31 -10.170 -8.740 -8.901 241 HB3 PRO 31 2HB PRO 31 -11.406 -8.635 -7.630 242 HG2 PRO 31 1HG PRO 31 -10.444 -6.521 -9.509 243 HG3 PRO 31 2HG PRO 31 -12.094 -6.878 -8.967 244 HD2 PRO 31 1HD PRO 31 -10.485 -4.863 -7.895 245 HD3 PRO 31 2HD PRO 31 -11.869 -5.596 -7.053 246 H PHE 32 H PHE 32 -7.604 -6.123 -6.579 247 HA PHE 32 HA PHE 32 -5.742 -7.349 -8.586 248 HB2 PHE 32 1HB PHE 32 -6.688 -4.542 -8.319 249 HB3 PHE 32 2HB PHE 32 -4.943 -4.702 -8.507 250 HD1 PHE 32 HD2 PHE 32 -8.061 -6.237 -9.956 251 HD2 PHE 32 HD1 PHE 32 -4.140 -4.647 -10.703 252 HE1 PHE 32 HE2 PHE 32 -8.367 -6.623 -12.385 253 HE2 PHE 32 HE1 PHE 32 -4.448 -5.034 -13.132 254 HZ PHE 32 HZ PHE 32 -6.561 -6.021 -13.974 255 H TRP 33 H TRP 33 -6.200 -7.373 -5.524 256 HA TRP 33 HA TRP 33 -3.406 -6.623 -4.730 257 HB2 TRP 33 1HB TRP 33 -6.022 -6.518 -3.317 258 HB3 TRP 33 2HB TRP 33 -4.615 -6.897 -2.352 259 HD1 TRP 33 HD1 TRP 33 -3.128 -4.980 -1.662 260 HE1 TRP 33 HE1 TRP 33 -3.039 -2.444 -2.155 261 HE3 TRP 33 HE3 TRP 33 -6.599 -4.694 -5.378 262 HZ2 TRP 33 HZ2 TRP 33 -4.277 -0.555 -3.883 263 HZ3 TRP 33 HZ3 TRP 33 -7.132 -2.518 -6.435 264 HH2 TRP 33 HH2 TRP 33 -5.977 -0.451 -5.700 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 12.920 -11.430 7.985 2 H2 ASN 1 2H ASN 1 13.093 -11.877 9.614 3 H3 ASN 1 3H ASN 1 12.650 -10.288 9.209 4 HA ASN 1 HA ASN 1 11.037 -12.744 9.157 5 HB2 ASN 1 1HB ASN 1 10.480 -9.871 9.964 6 HB3 ASN 1 2HB ASN 1 9.388 -11.237 10.191 7 HD21 ASN 1 2HD2 ASN 1 12.910 -10.694 10.834 8 HD22 ASN 1 1HD2 ASN 1 12.852 -11.278 12.427 9 H GLU 2 H GLU 2 10.661 -9.371 7.995 10 HA GLU 2 HA GLU 2 8.747 -10.140 5.984 11 HB2 GLU 2 1HB GLU 2 10.393 -7.630 6.029 12 HB3 GLU 2 2HB GLU 2 8.835 -7.862 5.253 13 HG2 GLU 2 1HG GLU 2 9.315 -8.054 8.240 14 HG3 GLU 2 2HG GLU 2 8.640 -6.648 7.420 15 H LEU 3 H LEU 3 9.447 -11.552 4.435 16 HA LEU 3 HA LEU 3 12.135 -11.499 3.364 17 HB2 LEU 3 1HB LEU 3 10.152 -13.369 3.453 18 HB3 LEU 3 2HB LEU 3 9.978 -12.828 1.789 19 HG LEU 3 HG LEU 3 12.609 -13.723 3.021 20 HD11 LEU 3 1HD1 LEU 3 12.264 -15.784 1.715 21 HD12 LEU 3 2HD1 LEU 3 10.666 -15.208 1.241 22 HD13 LEU 3 3HD1 LEU 3 11.009 -15.566 2.933 23 HD21 LEU 3 3HD2 LEU 3 13.037 -12.298 1.151 24 HD22 LEU 3 1HD2 LEU 3 11.708 -12.994 0.222 25 HD23 LEU 3 2HD2 LEU 3 13.165 -13.940 0.524 26 H ASP 4 H ASP 4 10.003 -9.195 3.073 27 HA ASP 4 HA ASP 4 9.931 -8.866 0.148 28 HB2 ASP 4 1HB ASP 4 8.773 -6.731 0.679 29 HB3 ASP 4 2HB ASP 4 8.012 -8.114 1.467 30 H VAL 5 H VAL 5 12.085 -8.554 -0.540 31 HA VAL 5 HA VAL 5 13.873 -6.772 0.832 32 HB VAL 5 HB VAL 5 14.207 -7.490 -2.073 33 HG11 VAL 5 1HG1 VAL 5 16.100 -7.291 0.286 34 HG12 VAL 5 2HG1 VAL 5 15.907 -6.086 -0.987 35 HG13 VAL 5 3HG1 VAL 5 16.571 -7.674 -1.370 36 HG21 VAL 5 3HG2 VAL 5 15.253 -9.648 -1.182 37 HG22 VAL 5 1HG2 VAL 5 13.491 -9.580 -1.158 38 HG23 VAL 5 2HG2 VAL 5 14.402 -9.319 0.328 39 HA PRO 6 HA PRO 6 12.356 -3.897 -2.985 40 HB2 PRO 6 1HB PRO 6 9.515 -4.643 -2.359 41 HB3 PRO 6 2HB PRO 6 10.219 -4.076 -3.892 42 HG2 PRO 6 1HG PRO 6 9.711 -6.606 -3.618 43 HG3 PRO 6 2HG PRO 6 11.303 -6.129 -4.253 44 HD2 PRO 6 1HD PRO 6 10.574 -7.015 -1.478 45 HD3 PRO 6 2HD PRO 6 11.974 -7.487 -2.463 46 H GLU 7 H GLU 7 12.859 -2.049 -1.857 47 HA GLU 7 HA GLU 7 11.397 -1.439 0.629 48 HB2 GLU 7 1HB GLU 7 13.128 0.131 1.150 49 HB3 GLU 7 2HB GLU 7 13.893 -1.349 0.588 50 HG2 GLU 7 1HG GLU 7 15.096 0.176 -0.664 51 HG3 GLU 7 2HG GLU 7 13.762 -0.099 -1.778 52 H GLN 8 H GLN 8 12.260 0.457 -2.366 53 HA GLN 8 HA GLN 8 10.497 2.597 -1.700 54 HB2 GLN 8 1HB GLN 8 11.042 1.591 -4.514 55 HB3 GLN 8 2HB GLN 8 10.457 3.191 -4.064 56 HG2 GLN 8 1HG GLN 8 12.723 3.640 -4.350 57 HG3 GLN 8 2HG GLN 8 12.685 3.274 -2.630 58 HE21 GLN 8 2HE2 GLN 8 12.495 0.904 -5.330 59 HE22 GLN 8 1HE2 GLN 8 13.932 0.099 -4.925 60 H VAL 9 H VAL 9 9.917 -0.580 -2.335 61 HA VAL 9 HA VAL 9 7.233 -0.276 -3.460 62 HB VAL 9 HB VAL 9 9.043 -2.516 -2.611 63 HG11 VAL 9 1HG1 VAL 9 7.003 -3.305 -1.646 64 HG12 VAL 9 2HG1 VAL 9 7.107 -4.105 -3.212 65 HG13 VAL 9 3HG1 VAL 9 6.045 -2.713 -3.003 66 HG21 VAL 9 3HG2 VAL 9 9.336 -1.925 -4.879 67 HG22 VAL 9 1HG2 VAL 9 7.603 -1.752 -5.157 68 HG23 VAL 9 2HG2 VAL 9 8.304 -3.353 -4.938 69 H ASP 10 H ASP 10 8.510 -1.855 -0.530 70 HA ASP 10 HA ASP 10 6.171 -1.969 0.971 71 HB2 ASP 10 1HB ASP 10 8.271 -2.936 1.782 72 HB3 ASP 10 2HB ASP 10 8.970 -1.326 1.958 73 H LYS 11 H LYS 11 8.407 0.795 0.656 74 HA LYS 11 HA LYS 11 6.963 2.521 2.438 75 HB2 LYS 11 1HB LYS 11 8.944 2.921 0.210 76 HB3 LYS 11 2HB LYS 11 8.056 4.328 0.792 77 HG2 LYS 11 1HG LYS 11 10.158 4.123 2.020 78 HG3 LYS 11 2HG LYS 11 8.808 3.808 3.108 79 HD2 LYS 11 1HD LYS 11 9.135 1.392 2.854 80 HD3 LYS 11 2HD LYS 11 10.447 1.677 1.709 81 HE2 LYS 11 1HE LYS 11 11.437 1.247 3.874 82 HE3 LYS 11 2HE LYS 11 11.646 2.960 3.510 83 HZ1 LYS 11 3HZ LYS 11 9.848 1.677 5.442 84 HZ2 LYS 11 1HZ LYS 11 9.379 3.150 4.745 85 HZ3 LYS 11 2HZ LYS 11 10.828 3.052 5.627 86 H LEU 12 H LEU 12 6.846 2.107 -1.098 87 HA LEU 12 HA LEU 12 4.731 3.903 -1.625 88 HB2 LEU 12 1HB LEU 12 5.923 1.513 -2.901 89 HB3 LEU 12 2HB LEU 12 4.371 2.010 -3.518 90 HG LEU 12 HG LEU 12 6.587 2.924 -4.597 91 HD11 LEU 12 1HD1 LEU 12 4.229 4.690 -3.906 92 HD12 LEU 12 2HD1 LEU 12 4.385 3.634 -5.310 93 HD13 LEU 12 3HD1 LEU 12 5.414 5.059 -5.159 94 HD21 LEU 12 3HD2 LEU 12 7.699 4.697 -3.639 95 HD22 LEU 12 1HD2 LEU 12 7.251 3.844 -2.174 96 HD23 LEU 12 2HD2 LEU 12 6.304 5.227 -2.700 97 H ILE 13 H ILE 13 4.603 0.360 -1.159 98 HA ILE 13 HA ILE 13 1.826 0.032 -1.011 99 HB ILE 13 HB ILE 13 3.980 -1.297 0.650 100 HG12 ILE 13 1HG1 ILE 13 2.828 -1.784 -2.099 101 HG13 ILE 13 2HG1 ILE 13 4.505 -1.573 -1.655 102 HG21 ILE 13 1HG2 ILE 13 2.431 -3.102 1.003 103 HG22 ILE 13 2HG2 ILE 13 1.246 -2.376 -0.082 104 HG23 ILE 13 3HG2 ILE 13 1.600 -1.625 1.471 105 HD11 ILE 13 3HD1 ILE 13 4.274 -3.700 -0.281 106 HD12 ILE 13 1HD1 ILE 13 4.258 -3.891 -2.033 107 HD13 ILE 13 2HD1 ILE 13 2.747 -3.949 -1.126 108 H GLN 14 H GLN 14 4.002 0.488 1.777 109 HA GLN 14 HA GLN 14 2.139 0.952 3.777 110 HB2 GLN 14 1HB GLN 14 4.880 1.980 3.243 111 HB3 GLN 14 2HB GLN 14 4.012 2.651 4.592 112 HG2 GLN 14 1HG GLN 14 3.664 0.361 5.490 113 HG3 GLN 14 2HG GLN 14 4.599 -0.287 4.141 114 HE21 GLN 14 2HE2 GLN 14 6.035 -1.080 6.034 115 HE22 GLN 14 1HE2 GLN 14 7.223 -0.011 6.609 116 H GLN 15 H GLN 15 3.305 3.192 1.315 117 HA GLN 15 HA GLN 15 1.762 5.421 2.353 118 HB2 GLN 15 1HB GLN 15 3.510 4.890 0.013 119 HB3 GLN 15 2HB GLN 15 2.435 6.265 -0.096 120 HG2 GLN 15 1HG GLN 15 4.255 5.814 2.274 121 HG3 GLN 15 2HG GLN 15 4.781 6.708 0.847 122 HE21 GLN 15 2HE2 GLN 15 4.074 8.878 0.635 123 HE22 GLN 15 1HE2 GLN 15 3.008 9.632 1.718 124 H ALA 16 H ALA 16 1.271 2.813 0.103 125 HA ALA 16 HA ALA 16 -1.196 4.063 -0.976 126 HB1 ALA 16 3HB ALA 16 -1.128 2.451 -2.676 127 HB2 ALA 16 1HB ALA 16 -0.188 1.319 -1.703 128 HB3 ALA 16 2HB ALA 16 0.578 2.761 -2.367 129 H THR 17 H THR 17 -0.299 2.044 1.582 130 HA THR 17 HA THR 17 -2.272 0.073 1.736 131 HB THR 17 HB THR 17 -2.214 0.662 4.301 132 HG1 THR 17 HG1 THR 17 -1.344 2.814 3.666 133 HG21 THR 17 3HG2 THR 17 0.138 -0.217 2.631 134 HG22 THR 17 1HG2 THR 17 -0.986 -1.221 3.544 135 HG23 THR 17 2HG2 THR 17 0.194 -0.222 4.391 136 H SER 18 H SER 18 -2.556 3.508 2.489 137 HA SER 18 HA SER 18 -5.252 3.441 3.410 138 HB2 SER 18 1HB SER 18 -3.365 5.513 2.466 139 HB3 SER 18 2HB SER 18 -5.070 5.938 2.471 140 HG SER 18 HG SER 18 -3.437 5.960 4.499 141 H ILE 19 H ILE 19 -4.084 4.793 0.328 142 HA ILE 19 HA ILE 19 -6.393 5.060 -1.086 143 HB ILE 19 HB ILE 19 -3.722 3.984 -1.992 144 HG12 ILE 19 1HG1 ILE 19 -4.924 6.749 -2.257 145 HG13 ILE 19 2HG1 ILE 19 -3.916 6.275 -0.887 146 HG21 ILE 19 1HG2 ILE 19 -4.512 4.904 -4.224 147 HG22 ILE 19 2HG2 ILE 19 -6.132 4.932 -3.531 148 HG23 ILE 19 3HG2 ILE 19 -5.270 3.404 -3.697 149 HD11 ILE 19 3HD1 ILE 19 -2.517 7.331 -2.567 150 HD12 ILE 19 1HD1 ILE 19 -3.132 6.237 -3.804 151 HD13 ILE 19 2HD1 ILE 19 -2.130 5.611 -2.496 152 H GLU 20 H GLU 20 -4.793 2.106 -0.187 153 HA GLU 20 HA GLU 20 -6.426 0.398 -1.931 154 HB2 GLU 20 1HB GLU 20 -4.470 -0.108 0.319 155 HB3 GLU 20 2HB GLU 20 -5.484 -1.415 -0.292 156 HG2 GLU 20 1HG GLU 20 -4.570 -1.200 -2.502 157 HG3 GLU 20 2HG GLU 20 -3.741 0.299 -2.078 158 H ARG 21 H ARG 21 -6.159 0.859 1.590 159 HA ARG 21 HA ARG 21 -8.496 -0.488 2.371 160 HB2 ARG 21 1HB ARG 21 -6.886 1.799 3.468 161 HB3 ARG 21 2HB ARG 21 -8.445 1.461 4.220 162 HG2 ARG 21 1HG ARG 21 -6.322 -0.662 3.779 163 HG3 ARG 21 2HG ARG 21 -6.432 0.286 5.260 164 HD2 ARG 21 1HD ARG 21 -7.745 -1.493 5.920 165 HD3 ARG 21 2HD ARG 21 -9.007 -0.576 5.103 166 HE ARG 21 HE ARG 21 -7.931 -2.125 3.082 167 HH11 ARG 21 1HH2 ARG 21 -9.140 -2.677 6.262 168 HH12 ARG 21 2HH2 ARG 21 -9.715 -4.273 5.912 169 HH21 ARG 21 1HH1 ARG 21 -8.675 -4.204 2.603 170 HH22 ARG 21 2HH1 ARG 21 -9.452 -5.137 3.839 171 H LEU 22 H LEU 22 -8.102 2.620 0.798 172 HA LEU 22 HA LEU 22 -10.671 3.636 1.366 173 HB2 LEU 22 1HB LEU 22 -8.431 4.275 -0.403 174 HB3 LEU 22 2HB LEU 22 -9.961 4.913 -0.928 175 HG LEU 22 HG LEU 22 -10.195 5.819 1.391 176 HD11 LEU 22 1HD1 LEU 22 -8.335 4.310 2.259 177 HD12 LEU 22 2HD1 LEU 22 -8.425 5.955 2.862 178 HD13 LEU 22 3HD1 LEU 22 -7.250 5.537 1.617 179 HD21 LEU 22 3HD2 LEU 22 -8.689 7.750 0.937 180 HD22 LEU 22 1HD2 LEU 22 -9.668 7.275 -0.448 181 HD23 LEU 22 2HD2 LEU 22 -7.970 6.804 -0.365 182 H CYS 23 H CYS 23 -9.442 2.562 -1.757 183 HA CYS 23 HA CYS 23 -12.058 2.327 -2.879 184 HB2 CYS 23 1HB CYS 23 -10.788 0.824 -4.607 185 HB3 CYS 23 2HB CYS 23 -10.361 2.527 -4.482 186 H GLN 24 H GLN 24 -9.849 -0.350 -1.883 187 HA GLN 24 HA GLN 24 -11.585 -2.489 -2.301 188 HB2 GLN 24 1HB GLN 24 -9.439 -1.957 -0.273 189 HB3 GLN 24 2HB GLN 24 -10.472 -3.355 -0.003 190 HG2 GLN 24 1HG GLN 24 -8.394 -3.874 -1.313 191 HG3 GLN 24 2HG GLN 24 -9.885 -4.287 -2.159 192 HE21 GLN 24 2HE2 GLN 24 -9.282 -3.927 -4.328 193 HE22 GLN 24 1HE2 GLN 24 -8.703 -2.446 -4.915 194 H HIS 25 H HIS 25 -11.700 -0.104 0.300 195 HA HIS 25 HA HIS 25 -13.984 -1.510 1.558 196 HB2 HIS 25 1HB HIS 25 -12.030 -0.418 2.855 197 HB3 HIS 25 2HB HIS 25 -12.797 1.118 2.461 198 HD1 HIS 25 HD1 HIS 25 -12.644 -0.921 5.226 199 HD2 HIS 25 HD2 HIS 25 -15.910 0.507 3.061 200 HE1 HIS 25 HE1 HIS 25 -14.646 -1.062 6.773 201 HE2 HIS 25 HE2 HIS 25 -16.639 -0.195 5.465 202 H TYR 26 H TYR 26 -13.313 1.881 0.595 203 HA TYR 26 HA TYR 26 -16.168 2.434 0.413 204 HB2 TYR 26 1HB TYR 26 -13.934 4.236 -0.515 205 HB3 TYR 26 2HB TYR 26 -15.528 4.690 0.069 206 HD1 TYR 26 HD2 TYR 26 -15.838 3.110 2.543 207 HD2 TYR 26 HD1 TYR 26 -12.366 5.134 0.996 208 HE1 TYR 26 HE2 TYR 26 -14.921 3.295 4.830 209 HE2 TYR 26 HE1 TYR 26 -11.459 5.316 3.293 210 HH TYR 26 HH TYR 26 -11.687 4.214 5.451 211 H ILE 27 H ILE 27 -13.686 3.184 -2.090 212 HA ILE 27 HA ILE 27 -15.752 2.935 -4.125 213 HB ILE 27 HB ILE 27 -12.854 3.038 -4.889 214 HG12 ILE 27 1HG1 ILE 27 -12.842 4.525 -3.004 215 HG13 ILE 27 2HG1 ILE 27 -12.882 5.503 -4.468 216 HG21 ILE 27 1HG2 ILE 27 -14.719 3.110 -6.557 217 HG22 ILE 27 2HG2 ILE 27 -13.650 4.511 -6.608 218 HG23 ILE 27 3HG2 ILE 27 -15.228 4.633 -5.830 219 HD11 ILE 27 3HD1 ILE 27 -15.524 5.257 -4.073 220 HD12 ILE 27 1HD1 ILE 27 -14.573 6.533 -3.322 221 HD13 ILE 27 2HD1 ILE 27 -14.978 5.086 -2.411 222 H GLY 28 H GLY 28 -12.570 1.349 -4.344 223 HA2 GLY 28 1HA GLY 28 -12.499 -1.186 -4.196 224 HA3 GLY 28 2HA GLY 28 -13.979 -1.180 -5.157 225 H TRP 29 H TRP 29 -12.487 1.360 -6.384 226 HA TRP 29 HA TRP 29 -11.421 -0.135 -8.679 227 HB2 TRP 29 1HB TRP 29 -12.801 1.915 -8.992 228 HB3 TRP 29 2HB TRP 29 -11.537 2.852 -8.185 229 HD1 TRP 29 HD1 TRP 29 -11.978 0.634 -11.336 230 HE1 TRP 29 HE1 TRP 29 -10.245 1.462 -13.077 231 HE3 TRP 29 HE3 TRP 29 -9.552 4.074 -8.538 232 HZ2 TRP 29 HZ2 TRP 29 -8.112 3.353 -13.232 233 HZ3 TRP 29 HZ3 TRP 29 -7.690 5.386 -9.463 234 HH2 TRP 29 HH2 TRP 29 -6.945 5.041 -11.815 235 H CYS 30 H CYS 30 -9.444 -1.038 -8.128 236 HA CYS 30 HA CYS 30 -7.192 0.805 -7.867 237 HB2 CYS 30 1HB CYS 30 -8.148 -0.870 -5.561 238 HB3 CYS 30 2HB CYS 30 -6.423 -0.565 -5.746 239 HA PRO 31 HA PRO 31 -6.322 -3.272 -9.898 240 HB2 PRO 31 1HB PRO 31 -5.969 -2.434 -12.432 241 HB3 PRO 31 2HB PRO 31 -7.595 -2.634 -11.746 242 HG2 PRO 31 1HG PRO 31 -6.019 -0.136 -12.175 243 HG3 PRO 31 2HG PRO 31 -7.753 -0.424 -12.396 244 HD2 PRO 31 1HD PRO 31 -6.601 0.775 -10.132 245 HD3 PRO 31 2HD PRO 31 -8.226 0.058 -10.188 246 H PHE 32 H PHE 32 -4.612 -0.206 -9.904 247 HA PHE 32 HA PHE 32 -2.169 -0.996 -11.107 248 HB2 PHE 32 1HB PHE 32 -2.974 1.071 -9.088 249 HB3 PHE 32 2HB PHE 32 -1.252 0.730 -9.239 250 HD1 PHE 32 HD1 PHE 32 -3.798 0.563 -11.961 251 HD2 PHE 32 HD2 PHE 32 -0.480 2.720 -10.289 252 HE1 PHE 32 HE1 PHE 32 -3.689 1.973 -13.996 253 HE2 PHE 32 HE2 PHE 32 -0.372 4.130 -12.326 254 HZ PHE 32 HZ PHE 32 -1.976 3.757 -14.179 255 H TRP 33 H TRP 33 -3.648 -2.403 -8.484 256 HA TRP 33 HA TRP 33 -1.137 -3.090 -7.070 257 HB2 TRP 33 1HB TRP 33 -4.041 -3.558 -6.492 258 HB3 TRP 33 2HB TRP 33 -2.767 -4.280 -5.537 259 HD1 TRP 33 HD1 TRP 33 -1.840 -2.884 -3.657 260 HE1 TRP 33 HE1 TRP 33 -2.001 -0.407 -2.934 261 HE3 TRP 33 HE3 TRP 33 -4.362 -0.961 -7.648 262 HZ2 TRP 33 HZ2 TRP 33 -3.061 2.039 -3.913 263 HZ3 TRP 33 HZ3 TRP 33 -4.939 1.446 -7.730 264 HH2 TRP 33 HH2 TRP 33 -4.292 2.952 -5.869 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 16.896 -11.946 7.972 2 H2 ASN 1 2H ASN 1 18.410 -11.235 7.683 3 H3 ASN 1 3H ASN 1 17.675 -12.193 6.487 4 HA ASN 1 HA ASN 1 16.384 -9.739 7.507 5 HB2 ASN 1 1HB ASN 1 18.792 -9.434 6.534 6 HB3 ASN 1 2HB ASN 1 18.046 -9.823 4.985 7 HD21 ASN 1 2HD2 ASN 1 17.440 -7.969 3.878 8 HD22 ASN 1 1HD2 ASN 1 16.888 -6.533 4.595 9 H GLU 2 H GLU 2 15.069 -8.872 5.532 10 HA GLU 2 HA GLU 2 13.615 -11.194 4.357 11 HB2 GLU 2 1HB GLU 2 12.317 -9.488 5.610 12 HB3 GLU 2 2HB GLU 2 12.856 -8.258 4.468 13 HG2 GLU 2 1HG GLU 2 11.682 -9.274 2.661 14 HG3 GLU 2 2HG GLU 2 11.423 -10.763 3.571 15 H LEU 3 H LEU 3 13.314 -11.373 2.109 16 HA LEU 3 HA LEU 3 15.420 -10.361 0.452 17 HB2 LEU 3 1HB LEU 3 13.909 -12.479 0.152 18 HB3 LEU 3 2HB LEU 3 12.804 -11.370 -0.653 19 HG LEU 3 HG LEU 3 14.981 -10.656 -2.001 20 HD11 LEU 3 1HD1 LEU 3 15.656 -13.547 -1.417 21 HD12 LEU 3 2HD1 LEU 3 16.384 -12.227 -0.505 22 HD13 LEU 3 3HD1 LEU 3 16.640 -12.339 -2.245 23 HD21 LEU 3 3HD2 LEU 3 14.473 -12.470 -3.667 24 HD22 LEU 3 1HD2 LEU 3 13.035 -11.637 -3.076 25 HD23 LEU 3 2HD2 LEU 3 13.447 -13.235 -2.453 26 H ASP 4 H ASP 4 13.249 -8.531 1.801 27 HA ASP 4 HA ASP 4 12.188 -7.065 -0.500 28 HB2 ASP 4 1HB ASP 4 11.332 -5.487 1.197 29 HB3 ASP 4 2HB ASP 4 10.937 -7.150 1.633 30 H VAL 5 H VAL 5 14.232 -6.581 -1.583 31 HA VAL 5 HA VAL 5 16.243 -5.008 -0.233 32 HB VAL 5 HB VAL 5 15.867 -5.469 -3.199 33 HG11 VAL 5 1HG1 VAL 5 18.376 -5.024 -3.150 34 HG12 VAL 5 2HG1 VAL 5 18.141 -4.412 -1.512 35 HG13 VAL 5 3HG1 VAL 5 17.344 -3.621 -2.872 36 HG21 VAL 5 3HG2 VAL 5 17.380 -6.977 -1.054 37 HG22 VAL 5 1HG2 VAL 5 17.677 -7.195 -2.780 38 HG23 VAL 5 2HG2 VAL 5 16.100 -7.597 -2.098 39 HA PRO 6 HA PRO 6 14.189 -1.362 -2.479 40 HB2 PRO 6 1HB PRO 6 11.989 -1.579 -3.823 41 HB3 PRO 6 2HB PRO 6 13.419 -2.404 -4.417 42 HG2 PRO 6 1HG PRO 6 11.119 -3.563 -2.897 43 HG3 PRO 6 2HG PRO 6 11.937 -4.189 -4.342 44 HD2 PRO 6 1HD PRO 6 12.527 -4.937 -1.698 45 HD3 PRO 6 2HD PRO 6 13.601 -5.191 -3.089 46 H GLU 7 H GLU 7 13.785 -0.054 -0.833 47 HA GLU 7 HA GLU 7 11.867 -0.728 1.233 48 HB2 GLU 7 1HB GLU 7 13.298 1.915 0.997 49 HB3 GLU 7 2HB GLU 7 12.753 1.088 2.455 50 HG2 GLU 7 1HG GLU 7 15.054 0.643 2.465 51 HG3 GLU 7 2HG GLU 7 14.400 -0.808 1.707 52 H GLN 8 H GLN 8 12.162 2.277 -0.753 53 HA GLN 8 HA GLN 8 9.646 3.321 -0.082 54 HB2 GLN 8 1HB GLN 8 11.129 3.458 -2.720 55 HB3 GLN 8 2HB GLN 8 9.646 4.365 -2.400 56 HG2 GLN 8 1HG GLN 8 11.659 5.736 -1.952 57 HG3 GLN 8 2HG GLN 8 10.720 5.468 -0.483 58 HE21 GLN 8 2HE2 GLN 8 12.503 5.579 0.998 59 HE22 GLN 8 1HE2 GLN 8 13.752 4.430 1.014 60 H VAL 9 H VAL 9 10.377 0.492 -1.669 61 HA VAL 9 HA VAL 9 7.865 0.239 -3.139 62 HB VAL 9 HB VAL 9 10.354 -1.395 -2.643 63 HG11 VAL 9 1HG1 VAL 9 9.078 -3.281 -3.981 64 HG12 VAL 9 2HG1 VAL 9 7.624 -2.515 -3.345 65 HG13 VAL 9 3HG1 VAL 9 8.836 -3.161 -2.237 66 HG21 VAL 9 3HG2 VAL 9 8.725 -0.583 -5.091 67 HG22 VAL 9 1HG2 VAL 9 10.119 -1.657 -5.173 68 HG23 VAL 9 2HG2 VAL 9 10.318 0.005 -4.614 69 H ASP 10 H ASP 10 9.364 -1.734 -0.566 70 HA ASP 10 HA ASP 10 7.061 -2.993 0.386 71 HB2 ASP 10 1HB ASP 10 9.333 -3.478 1.245 72 HB3 ASP 10 2HB ASP 10 9.355 -1.914 2.062 73 H LYS 11 H LYS 11 8.257 0.268 1.156 74 HA LYS 11 HA LYS 11 6.219 0.878 3.087 75 HB2 LYS 11 1HB LYS 11 7.810 2.689 1.242 76 HB3 LYS 11 2HB LYS 11 6.750 3.271 2.525 77 HG2 LYS 11 1HG LYS 11 8.274 1.504 3.956 78 HG3 LYS 11 2HG LYS 11 9.440 1.982 2.725 79 HD2 LYS 11 1HD LYS 11 9.064 4.355 3.286 80 HD3 LYS 11 2HD LYS 11 7.883 3.880 4.505 81 HE2 LYS 11 1HE LYS 11 9.791 2.445 5.510 82 HE3 LYS 11 2HE LYS 11 10.865 3.416 4.504 83 HZ1 LYS 11 3HZ LYS 11 10.357 4.195 6.881 84 HZ2 LYS 11 1HZ LYS 11 8.869 4.708 6.246 85 HZ3 LYS 11 2HZ LYS 11 10.320 5.342 5.628 86 H LEU 12 H LEU 12 6.489 1.569 -0.398 87 HA LEU 12 HA LEU 12 3.958 2.730 -0.792 88 HB2 LEU 12 1HB LEU 12 5.924 1.229 -2.412 89 HB3 LEU 12 2HB LEU 12 4.341 1.384 -3.114 90 HG LEU 12 HG LEU 12 6.234 3.176 -3.591 91 HD11 LEU 12 1HD1 LEU 12 4.464 4.902 -3.917 92 HD12 LEU 12 2HD1 LEU 12 3.355 3.894 -2.985 93 HD13 LEU 12 3HD1 LEU 12 3.998 3.311 -4.521 94 HD21 LEU 12 3HD2 LEU 12 6.283 3.621 -0.942 95 HD22 LEU 12 1HD2 LEU 12 4.981 4.730 -1.353 96 HD23 LEU 12 2HD2 LEU 12 6.568 4.901 -2.101 97 H ILE 13 H ILE 13 4.908 -0.684 -1.122 98 HA ILE 13 HA ILE 13 2.366 -1.816 -1.484 99 HB ILE 13 HB ILE 13 4.733 -2.852 0.097 100 HG12 ILE 13 1HG1 ILE 13 3.947 -2.901 -2.822 101 HG13 ILE 13 2HG1 ILE 13 5.441 -2.328 -2.114 102 HG21 ILE 13 1HG2 ILE 13 2.530 -4.066 0.481 103 HG22 ILE 13 2HG2 ILE 13 3.819 -5.054 -0.190 104 HG23 ILE 13 3HG2 ILE 13 2.534 -4.453 -1.239 105 HD11 ILE 13 3HD1 ILE 13 5.825 -4.718 -1.321 106 HD12 ILE 13 1HD1 ILE 13 5.979 -4.429 -3.053 107 HD13 ILE 13 2HD1 ILE 13 4.513 -5.170 -2.409 108 H GLN 14 H GLN 14 4.102 -1.446 1.604 109 HA GLN 14 HA GLN 14 1.969 -2.106 3.313 110 HB2 GLN 14 1HB GLN 14 4.491 -0.572 3.574 111 HB3 GLN 14 2HB GLN 14 3.335 -0.377 4.870 112 HG2 GLN 14 1HG GLN 14 3.296 -2.789 5.246 113 HG3 GLN 14 2HG GLN 14 4.358 -3.047 3.861 114 HE21 GLN 14 2HE2 GLN 14 6.427 -3.513 4.607 115 HE22 GLN 14 1HE2 GLN 14 7.194 -2.738 5.908 116 H GLN 15 H GLN 15 2.765 0.969 1.784 117 HA GLN 15 HA GLN 15 0.759 2.460 3.246 118 HB2 GLN 15 1HB GLN 15 2.555 2.947 0.935 119 HB3 GLN 15 2HB GLN 15 1.233 4.065 1.177 120 HG2 GLN 15 1HG GLN 15 2.027 4.661 3.357 121 HG3 GLN 15 2HG GLN 15 3.174 3.321 3.376 122 HE21 GLN 15 2HE2 GLN 15 4.852 5.064 3.764 123 HE22 GLN 15 1HE2 GLN 15 5.460 5.920 2.430 124 H ALA 16 H ALA 16 0.831 0.476 0.417 125 HA ALA 16 HA ALA 16 -1.319 1.425 -1.090 126 HB1 ALA 16 3HB ALA 16 -1.446 -0.724 -2.036 127 HB2 ALA 16 1HB ALA 16 -1.005 -1.519 -0.523 128 HB3 ALA 16 2HB ALA 16 0.215 -0.642 -1.447 129 H THR 17 H THR 17 -1.373 0.360 2.150 130 HA THR 17 HA THR 17 -3.909 -0.836 2.432 131 HB THR 17 HB THR 17 -3.928 0.235 4.719 132 HG1 THR 17 HG1 THR 17 -2.089 1.782 3.441 133 HG21 THR 17 3HG2 THR 17 -1.662 -0.792 5.389 134 HG22 THR 17 1HG2 THR 17 -1.473 -1.181 3.679 135 HG23 THR 17 2HG2 THR 17 -2.822 -1.855 4.593 136 H SER 18 H SER 18 -3.012 2.509 1.903 137 HA SER 18 HA SER 18 -5.530 3.724 2.423 138 HB2 SER 18 1HB SER 18 -3.080 4.440 0.927 139 HB3 SER 18 2HB SER 18 -4.528 5.359 0.557 140 HG SER 18 HG SER 18 -4.613 6.059 2.618 141 H ILE 19 H ILE 19 -4.095 3.232 -0.790 142 HA ILE 19 HA ILE 19 -6.271 3.531 -2.414 143 HB ILE 19 HB ILE 19 -4.039 1.508 -2.540 144 HG12 ILE 19 1HG1 ILE 19 -4.378 4.113 -4.043 145 HG13 ILE 19 2HG1 ILE 19 -3.587 4.041 -2.465 146 HG21 ILE 19 1HG2 ILE 19 -4.571 1.597 -5.021 147 HG22 ILE 19 2HG2 ILE 19 -6.098 2.354 -4.571 148 HG23 ILE 19 3HG2 ILE 19 -5.725 0.724 -4.018 149 HD11 ILE 19 3HD1 ILE 19 -2.011 2.358 -3.352 150 HD12 ILE 19 1HD1 ILE 19 -1.921 3.874 -4.248 151 HD13 ILE 19 2HD1 ILE 19 -2.779 2.493 -4.932 152 H GLU 20 H GLU 20 -5.552 0.904 -0.252 153 HA GLU 20 HA GLU 20 -7.663 -0.855 -1.302 154 HB2 GLU 20 1HB GLU 20 -5.886 -0.967 1.154 155 HB3 GLU 20 2HB GLU 20 -7.135 -2.168 0.823 156 HG2 GLU 20 1HG GLU 20 -6.067 -2.870 -1.191 157 HG3 GLU 20 2HG GLU 20 -4.991 -1.471 -1.193 158 H ARG 21 H ARG 21 -7.100 1.128 1.602 159 HA ARG 21 HA ARG 21 -9.688 0.718 2.740 160 HB2 ARG 21 1HB ARG 21 -7.582 2.862 3.031 161 HB3 ARG 21 2HB ARG 21 -9.121 2.997 3.873 162 HG2 ARG 21 1HG ARG 21 -7.220 0.643 4.095 163 HG3 ARG 21 2HG ARG 21 -7.335 1.951 5.267 164 HD2 ARG 21 1HD ARG 21 -9.219 -0.311 4.765 165 HD3 ARG 21 2HD ARG 21 -8.789 0.469 6.280 166 HE ARG 21 HE ARG 21 -10.961 1.267 4.482 167 HH11 ARG 21 1HH2 ARG 21 -8.777 2.123 7.014 168 HH12 ARG 21 2HH2 ARG 21 -9.774 3.404 7.618 169 HH21 ARG 21 1HH1 ARG 21 -12.272 2.932 5.258 170 HH22 ARG 21 2HH1 ARG 21 -11.754 3.863 6.623 171 H LEU 22 H LEU 22 -8.465 2.831 0.224 172 HA LEU 22 HA LEU 22 -10.546 4.696 0.137 173 HB2 LEU 22 1HB LEU 22 -8.423 3.739 -1.636 174 HB3 LEU 22 2HB LEU 22 -9.728 4.538 -2.456 175 HG LEU 22 HG LEU 22 -9.435 6.410 -0.881 176 HD11 LEU 22 1HD1 LEU 22 -6.737 5.413 -0.188 177 HD12 LEU 22 2HD1 LEU 22 -8.123 4.916 0.775 178 HD13 LEU 22 3HD1 LEU 22 -7.736 6.619 0.620 179 HD21 LEU 22 3HD2 LEU 22 -7.568 7.381 -2.050 180 HD22 LEU 22 1HD2 LEU 22 -8.472 6.362 -3.168 181 HD23 LEU 22 2HD2 LEU 22 -6.968 5.775 -2.461 182 H CYS 23 H CYS 23 -10.038 2.015 -2.091 183 HA CYS 23 HA CYS 23 -12.668 2.076 -3.181 184 HB2 CYS 23 1HB CYS 23 -12.097 -0.490 -3.617 185 HB3 CYS 23 2HB CYS 23 -11.240 0.783 -4.480 186 H GLN 24 H GLN 24 -11.397 -0.288 -0.802 187 HA GLN 24 HA GLN 24 -13.758 -1.557 -0.107 188 HB2 GLN 24 1HB GLN 24 -11.516 -0.672 1.731 189 HB3 GLN 24 2HB GLN 24 -12.772 -1.823 2.185 190 HG2 GLN 24 1HG GLN 24 -12.103 -3.235 0.218 191 HG3 GLN 24 2HG GLN 24 -10.755 -2.133 -0.054 192 HE21 GLN 24 2HE2 GLN 24 -10.361 -4.914 0.618 193 HE22 GLN 24 1HE2 GLN 24 -9.626 -4.981 2.147 194 H HIS 25 H HIS 25 -12.739 1.691 0.863 195 HA HIS 25 HA HIS 25 -15.142 1.977 2.580 196 HB2 HIS 25 1HB HIS 25 -12.874 2.823 3.304 197 HB3 HIS 25 2HB HIS 25 -12.990 4.028 2.021 198 HD1 HIS 25 HD1 HIS 25 -14.657 2.983 5.252 199 HD2 HIS 25 HD2 HIS 25 -14.736 6.171 2.562 200 HE1 HIS 25 HE1 HIS 25 -16.042 4.806 6.339 201 HE2 HIS 25 HE2 HIS 25 -16.097 6.750 4.711 202 H TYR 26 H TYR 26 -13.620 4.091 0.106 203 HA TYR 26 HA TYR 26 -16.069 5.480 -0.417 204 HB2 TYR 26 1HB TYR 26 -13.549 5.246 -2.075 205 HB3 TYR 26 2HB TYR 26 -14.837 6.394 -2.390 206 HD1 TYR 26 HD1 TYR 26 -15.578 7.655 0.032 207 HD2 TYR 26 HD2 TYR 26 -11.690 6.183 -1.054 208 HE1 TYR 26 HE1 TYR 26 -14.531 9.188 1.669 209 HE2 TYR 26 HE2 TYR 26 -10.643 7.710 0.595 210 HH TYR 26 HH TYR 26 -11.180 8.958 2.531 211 H ILE 27 H ILE 27 -14.264 3.449 -2.762 212 HA ILE 27 HA ILE 27 -16.851 2.898 -4.120 213 HB ILE 27 HB ILE 27 -14.056 2.201 -5.043 214 HG12 ILE 27 1HG1 ILE 27 -14.764 4.349 -6.549 215 HG13 ILE 27 2HG1 ILE 27 -15.603 4.781 -5.076 216 HG21 ILE 27 1HG2 ILE 27 -16.752 2.400 -6.410 217 HG22 ILE 27 2HG2 ILE 27 -15.772 0.950 -6.191 218 HG23 ILE 27 3HG2 ILE 27 -15.224 2.230 -7.274 219 HD11 ILE 27 3HD1 ILE 27 -12.688 4.620 -5.647 220 HD12 ILE 27 1HD1 ILE 27 -13.199 4.120 -4.041 221 HD13 ILE 27 2HD1 ILE 27 -13.573 5.738 -4.612 222 H GLY 28 H GLY 28 -14.021 0.738 -3.980 223 HA2 GLY 28 1HA GLY 28 -14.297 -1.272 -2.357 224 HA3 GLY 28 2HA GLY 28 -15.871 -1.462 -3.116 225 H TRP 29 H TRP 29 -13.664 -0.318 -5.381 226 HA TRP 29 HA TRP 29 -13.436 -3.041 -6.564 227 HB2 TRP 29 1HB TRP 29 -14.275 -0.778 -7.742 228 HB3 TRP 29 2HB TRP 29 -12.548 -0.577 -8.040 229 HD1 TRP 29 HD1 TRP 29 -15.209 -3.386 -8.505 230 HE1 TRP 29 HE1 TRP 29 -14.617 -4.617 -10.705 231 HE3 TRP 29 HE3 TRP 29 -10.986 -0.890 -9.769 232 HZ2 TRP 29 HZ2 TRP 29 -12.608 -4.534 -12.725 233 HZ3 TRP 29 HZ3 TRP 29 -9.745 -1.455 -11.815 234 HH2 TRP 29 HH2 TRP 29 -10.536 -3.280 -13.313 235 H CYS 30 H CYS 30 -11.643 -3.982 -5.596 236 HA CYS 30 HA CYS 30 -9.025 -2.887 -6.366 237 HB2 CYS 30 1HB CYS 30 -9.992 -2.976 -3.522 238 HB3 CYS 30 2HB CYS 30 -8.289 -3.286 -3.849 239 HA PRO 31 HA PRO 31 -9.338 -7.514 -6.115 240 HB2 PRO 31 1HB PRO 31 -9.390 -8.129 -8.728 241 HB3 PRO 31 2HB PRO 31 -10.846 -7.539 -7.900 242 HG2 PRO 31 1HG PRO 31 -8.966 -6.066 -9.693 243 HG3 PRO 31 2HG PRO 31 -10.734 -5.975 -9.599 244 HD2 PRO 31 1HD PRO 31 -8.969 -4.161 -8.378 245 HD3 PRO 31 2HD PRO 31 -10.672 -4.384 -7.924 246 H PHE 32 H PHE 32 -7.184 -5.322 -7.767 247 HA PHE 32 HA PHE 32 -5.209 -7.161 -8.667 248 HB2 PHE 32 1HB PHE 32 -5.346 -4.637 -9.114 249 HB3 PHE 32 2HB PHE 32 -4.590 -4.425 -7.536 250 HD1 PHE 32 HD2 PHE 32 -4.158 -6.064 -10.858 251 HD2 PHE 32 HD1 PHE 32 -2.249 -4.726 -7.250 252 HE1 PHE 32 HE2 PHE 32 -1.937 -6.517 -11.865 253 HE2 PHE 32 HE1 PHE 32 -0.028 -5.179 -8.257 254 HZ PHE 32 HZ PHE 32 0.128 -6.075 -10.564 255 H TRP 33 H TRP 33 -6.324 -6.859 -5.589 256 HA TRP 33 HA TRP 33 -3.701 -7.246 -4.261 257 HB2 TRP 33 1HB TRP 33 -6.493 -6.779 -3.281 258 HB3 TRP 33 2HB TRP 33 -5.218 -7.282 -2.193 259 HD1 TRP 33 HD1 TRP 33 -3.763 -5.454 -1.249 260 HE1 TRP 33 HE1 TRP 33 -3.360 -2.954 -1.762 261 HE3 TRP 33 HE3 TRP 33 -6.561 -4.966 -5.481 262 HZ2 TRP 33 HZ2 TRP 33 -4.122 -1.024 -3.699 263 HZ3 TRP 33 HZ3 TRP 33 -6.709 -2.783 -6.643 264 HH2 TRP 33 HH2 TRP 33 -5.494 -0.811 -5.762 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 20.583 -3.767 3.239 2 H2 ASN 1 2H ASN 1 22.259 -3.623 2.996 3 H3 ASN 1 3H ASN 1 21.612 -3.513 4.563 4 HA ASN 1 HA ASN 1 22.150 -5.864 2.927 5 HB2 ASN 1 1HB ASN 1 23.499 -5.284 4.916 6 HB3 ASN 1 2HB ASN 1 22.045 -5.338 5.914 7 HD21 ASN 1 2HD2 ASN 1 24.297 -7.347 4.031 8 HD22 ASN 1 1HD2 ASN 1 23.789 -8.829 4.686 9 H GLU 2 H GLU 2 19.425 -4.317 4.228 10 HA GLU 2 HA GLU 2 17.847 -6.360 5.297 11 HB2 GLU 2 1HB GLU 2 17.116 -4.055 3.526 12 HB3 GLU 2 2HB GLU 2 15.899 -5.116 4.223 13 HG2 GLU 2 1HG GLU 2 16.847 -4.611 6.490 14 HG3 GLU 2 2HG GLU 2 17.921 -3.435 5.732 15 H LEU 3 H LEU 3 17.325 -8.326 4.492 16 HA LEU 3 HA LEU 3 17.898 -9.222 1.893 17 HB2 LEU 3 1HB LEU 3 17.364 -10.787 3.689 18 HB3 LEU 3 2HB LEU 3 15.729 -10.140 3.807 19 HG LEU 3 HG LEU 3 15.180 -10.969 1.591 20 HD11 LEU 3 1HD1 LEU 3 18.134 -11.581 1.483 21 HD12 LEU 3 2HD1 LEU 3 17.138 -10.738 0.296 22 HD13 LEU 3 3HD1 LEU 3 16.995 -12.484 0.483 23 HD21 LEU 3 3HD2 LEU 3 14.938 -12.559 3.428 24 HD22 LEU 3 1HD2 LEU 3 16.632 -13.027 3.282 25 HD23 LEU 3 2HD2 LEU 3 15.496 -13.416 1.991 26 H ASP 4 H ASP 4 15.561 -7.042 2.932 27 HA ASP 4 HA ASP 4 13.992 -7.290 0.382 28 HB2 ASP 4 1HB ASP 4 12.160 -6.197 1.587 29 HB3 ASP 4 2HB ASP 4 12.677 -7.636 2.464 30 H VAL 5 H VAL 5 16.023 -6.018 -0.371 31 HA VAL 5 HA VAL 5 16.614 -3.422 0.479 32 HB VAL 5 HB VAL 5 16.863 -4.792 -2.190 33 HG11 VAL 5 1HG1 VAL 5 16.462 -2.530 -2.890 34 HG12 VAL 5 2HG1 VAL 5 18.211 -2.750 -2.905 35 HG13 VAL 5 3HG1 VAL 5 17.443 -1.885 -1.575 36 HG21 VAL 5 3HG2 VAL 5 18.435 -5.339 -0.372 37 HG22 VAL 5 1HG2 VAL 5 18.855 -3.632 -0.227 38 HG23 VAL 5 2HG2 VAL 5 19.258 -4.516 -1.697 39 HA PRO 6 HA PRO 6 13.350 -1.821 -3.079 40 HB2 PRO 6 1HB PRO 6 11.352 -3.783 -2.028 41 HB3 PRO 6 2HB PRO 6 11.541 -3.121 -3.660 42 HG2 PRO 6 1HG PRO 6 12.466 -5.613 -2.786 43 HG3 PRO 6 2HG PRO 6 12.938 -4.790 -4.280 44 HD2 PRO 6 1HD PRO 6 14.626 -5.338 -2.059 45 HD3 PRO 6 2HD PRO 6 15.012 -4.304 -3.449 46 H GLU 7 H GLU 7 13.201 0.032 -1.871 47 HA GLU 7 HA GLU 7 11.872 -0.017 0.767 48 HB2 GLU 7 1HB GLU 7 13.165 2.334 -0.635 49 HB3 GLU 7 2HB GLU 7 12.737 2.215 1.070 50 HG2 GLU 7 1HG GLU 7 15.072 1.788 1.002 51 HG3 GLU 7 2HG GLU 7 14.327 0.197 1.162 52 H GLN 8 H GLN 8 11.714 2.334 -1.952 53 HA GLN 8 HA GLN 8 9.160 3.305 -1.308 54 HB2 GLN 8 1HB GLN 8 10.458 2.993 -4.027 55 HB3 GLN 8 2HB GLN 8 8.923 3.831 -3.783 56 HG2 GLN 8 1HG GLN 8 10.624 5.520 -3.748 57 HG3 GLN 8 2HG GLN 8 10.134 5.285 -2.071 58 HE21 GLN 8 2HE2 GLN 8 11.875 5.087 -0.671 59 HE22 GLN 8 1HE2 GLN 8 13.400 4.466 -1.084 60 H VAL 9 H VAL 9 10.004 0.224 -2.219 61 HA VAL 9 HA VAL 9 7.459 -0.499 -3.475 62 HB VAL 9 HB VAL 9 9.867 -2.057 -2.494 63 HG11 VAL 9 1HG1 VAL 9 8.087 -3.554 -2.060 64 HG12 VAL 9 2HG1 VAL 9 8.672 -4.030 -3.657 65 HG13 VAL 9 3HG1 VAL 9 7.205 -3.061 -3.507 66 HG21 VAL 9 3HG2 VAL 9 10.449 -1.171 -4.576 67 HG22 VAL 9 1HG2 VAL 9 8.798 -1.237 -5.191 68 HG23 VAL 9 2HG2 VAL 9 9.749 -2.713 -5.060 69 H ASP 10 H ASP 10 9.164 -1.711 -0.618 70 HA ASP 10 HA ASP 10 7.078 -2.850 0.791 71 HB2 ASP 10 1HB ASP 10 9.334 -2.996 1.621 72 HB3 ASP 10 2HB ASP 10 9.448 -1.244 1.799 73 H LYS 11 H LYS 11 7.920 0.599 0.645 74 HA LYS 11 HA LYS 11 5.871 1.421 2.511 75 HB2 LYS 11 1HB LYS 11 7.470 2.847 0.376 76 HB3 LYS 11 2HB LYS 11 6.142 3.673 1.186 77 HG2 LYS 11 1HG LYS 11 8.053 4.251 2.458 78 HG3 LYS 11 2HG LYS 11 7.288 2.972 3.396 79 HD2 LYS 11 1HD LYS 11 8.834 1.321 2.470 80 HD3 LYS 11 2HD LYS 11 9.546 2.546 1.420 81 HE2 LYS 11 1HE LYS 11 10.715 1.958 3.708 82 HE3 LYS 11 2HE LYS 11 10.619 3.636 3.178 83 HZ1 LYS 11 3HZ LYS 11 9.933 3.282 5.511 84 HZ2 LYS 11 1HZ LYS 11 8.633 2.341 4.962 85 HZ3 LYS 11 2HZ LYS 11 8.723 3.989 4.553 86 H LEU 12 H LEU 12 6.051 1.346 -1.042 87 HA LEU 12 HA LEU 12 3.404 2.146 -1.589 88 HB2 LEU 12 1HB LEU 12 5.511 0.568 -2.936 89 HB3 LEU 12 2HB LEU 12 3.916 0.444 -3.621 90 HG LEU 12 HG LEU 12 5.593 2.276 -4.487 91 HD11 LEU 12 1HD1 LEU 12 3.638 3.820 -4.914 92 HD12 LEU 12 2HD1 LEU 12 2.682 2.789 -3.848 93 HD13 LEU 12 3HD1 LEU 12 3.357 2.131 -5.340 94 HD21 LEU 12 3HD2 LEU 12 5.841 4.258 -3.338 95 HD22 LEU 12 1HD2 LEU 12 5.743 3.168 -1.969 96 HD23 LEU 12 2HD2 LEU 12 4.326 4.083 -2.454 97 H ILE 13 H ILE 13 4.739 -1.156 -1.260 98 HA ILE 13 HA ILE 13 2.350 -2.614 -1.374 99 HB ILE 13 HB ILE 13 4.763 -3.015 0.417 100 HG12 ILE 13 1HG1 ILE 13 4.084 -3.758 -2.434 101 HG13 ILE 13 2HG1 ILE 13 5.506 -2.933 -1.832 102 HG21 ILE 13 1HG2 ILE 13 4.096 -5.312 0.623 103 HG22 ILE 13 2HG2 ILE 13 2.787 -5.104 -0.541 104 HG23 ILE 13 3HG2 ILE 13 2.688 -4.348 1.048 105 HD11 ILE 13 3HD1 ILE 13 6.040 -5.077 -0.561 106 HD12 ILE 13 1HD1 ILE 13 6.234 -5.127 -2.311 107 HD13 ILE 13 2HD1 ILE 13 4.807 -5.842 -1.561 108 H GLN 14 H GLN 14 3.927 -1.338 1.549 109 HA GLN 14 HA GLN 14 1.860 -1.834 3.385 110 HB2 GLN 14 1HB GLN 14 4.119 0.075 3.200 111 HB3 GLN 14 2HB GLN 14 2.908 0.442 4.404 112 HG2 GLN 14 1HG GLN 14 4.872 -0.989 5.193 113 HG3 GLN 14 2HG GLN 14 3.269 -1.641 5.529 114 HE21 GLN 14 2HE2 GLN 14 6.221 -2.148 3.709 115 HE22 GLN 14 1HE2 GLN 14 5.776 -3.635 3.025 116 H GLN 15 H GLN 15 2.347 0.962 1.240 117 HA GLN 15 HA GLN 15 -0.064 2.276 2.168 118 HB2 GLN 15 1HB GLN 15 1.982 2.747 0.069 119 HB3 GLN 15 2HB GLN 15 0.456 3.585 -0.109 120 HG2 GLN 15 1HG GLN 15 0.744 4.468 2.218 121 HG3 GLN 15 2HG GLN 15 2.332 3.700 2.270 122 HE21 GLN 15 2HE2 GLN 15 3.057 6.078 2.542 123 HE22 GLN 15 1HE2 GLN 15 3.305 6.985 1.128 124 H ALA 16 H ALA 16 0.558 -0.338 0.152 125 HA ALA 16 HA ALA 16 -1.764 0.106 -1.619 126 HB1 ALA 16 3HB ALA 16 -1.043 -1.838 -2.795 127 HB2 ALA 16 1HB ALA 16 -0.069 -2.388 -1.431 128 HB3 ALA 16 2HB ALA 16 0.435 -0.978 -2.363 129 H THR 17 H THR 17 -1.181 -1.131 1.449 130 HA THR 17 HA THR 17 -3.084 -3.325 1.397 131 HB THR 17 HB THR 17 -2.840 -3.174 3.909 132 HG1 THR 17 HG1 THR 17 -1.157 -1.048 3.102 133 HG21 THR 17 3HG2 THR 17 -0.291 -3.236 2.270 134 HG22 THR 17 1HG2 THR 17 -1.373 -4.603 2.541 135 HG23 THR 17 2HG2 THR 17 -0.481 -3.901 3.892 136 H SER 18 H SER 18 -3.295 0.125 2.108 137 HA SER 18 HA SER 18 -6.021 -0.186 3.150 138 HB2 SER 18 1HB SER 18 -4.082 2.064 2.963 139 HB3 SER 18 2HB SER 18 -5.789 2.408 3.203 140 HG SER 18 HG SER 18 -4.438 0.488 4.767 141 H ILE 19 H ILE 19 -4.521 0.413 0.078 142 HA ILE 19 HA ILE 19 -6.292 2.161 -1.184 143 HB ILE 19 HB ILE 19 -4.917 -0.358 -2.130 144 HG12 ILE 19 1HG1 ILE 19 -4.449 2.611 -2.596 145 HG13 ILE 19 2HG1 ILE 19 -3.539 1.607 -1.472 146 HG21 ILE 19 1HG2 ILE 19 -6.561 1.655 -3.675 147 HG22 ILE 19 2HG2 ILE 19 -6.837 -0.077 -3.560 148 HG23 ILE 19 3HG2 ILE 19 -5.445 0.531 -4.439 149 HD11 ILE 19 3HD1 ILE 19 -3.066 0.118 -3.556 150 HD12 ILE 19 1HD1 ILE 19 -2.179 1.631 -3.384 151 HD13 ILE 19 2HD1 ILE 19 -3.559 1.538 -4.475 152 H GLU 20 H GLU 20 -6.740 -0.982 0.103 153 HA GLU 20 HA GLU 20 -9.276 -1.545 -1.260 154 HB2 GLU 20 1HB GLU 20 -9.397 -3.503 0.130 155 HB3 GLU 20 2HB GLU 20 -7.702 -3.325 -0.320 156 HG2 GLU 20 1HG GLU 20 -7.461 -1.987 1.885 157 HG3 GLU 20 2HG GLU 20 -9.017 -2.689 2.323 158 H ARG 21 H ARG 21 -8.137 -0.272 1.795 159 HA ARG 21 HA ARG 21 -10.702 0.061 3.047 160 HB2 ARG 21 1HB ARG 21 -7.902 1.093 3.508 161 HB3 ARG 21 2HB ARG 21 -9.243 1.802 4.410 162 HG2 ARG 21 1HG ARG 21 -8.660 -1.175 4.302 163 HG3 ARG 21 2HG ARG 21 -8.099 -0.112 5.589 164 HD2 ARG 21 1HD ARG 21 -10.733 0.529 5.637 165 HD3 ARG 21 2HD ARG 21 -10.850 -1.129 5.046 166 HE ARG 21 HE ARG 21 -10.165 -0.356 7.732 167 HH11 ARG 21 1HH2 ARG 21 -9.469 -2.575 5.188 168 HH12 ARG 21 2HH2 ARG 21 -8.966 -3.845 6.253 169 HH21 ARG 21 1HH1 ARG 21 -9.514 -1.999 9.139 170 HH22 ARG 21 2HH1 ARG 21 -8.991 -3.518 8.491 171 H LEU 22 H LEU 22 -8.704 2.021 0.907 172 HA LEU 22 HA LEU 22 -10.046 4.479 1.206 173 HB2 LEU 22 1HB LEU 22 -8.195 3.217 -0.682 174 HB3 LEU 22 2HB LEU 22 -9.021 4.610 -1.290 175 HG LEU 22 HG LEU 22 -8.255 5.838 0.684 176 HD11 LEU 22 1HD1 LEU 22 -6.602 3.402 1.187 177 HD12 LEU 22 2HD1 LEU 22 -7.955 3.948 2.178 178 HD13 LEU 22 3HD1 LEU 22 -6.491 4.918 2.073 179 HD21 LEU 22 3HD2 LEU 22 -5.981 6.150 -0.089 180 HD22 LEU 22 1HD2 LEU 22 -7.038 5.878 -1.474 181 HD23 LEU 22 2HD2 LEU 22 -6.020 4.569 -0.872 182 H CYS 23 H CYS 23 -10.110 2.383 -1.611 183 HA CYS 23 HA CYS 23 -12.302 3.493 -2.922 184 HB2 CYS 23 1HB CYS 23 -12.655 1.092 -3.827 185 HB3 CYS 23 2HB CYS 23 -11.078 1.835 -4.090 186 H GLN 24 H GLN 24 -12.572 0.545 -0.899 187 HA GLN 24 HA GLN 24 -15.313 0.248 -0.837 188 HB2 GLN 24 1HB GLN 24 -13.244 -0.126 1.328 189 HB3 GLN 24 2HB GLN 24 -14.944 -0.480 1.640 190 HG2 GLN 24 1HG GLN 24 -13.578 -2.467 0.869 191 HG3 GLN 24 2HG GLN 24 -15.003 -2.130 -0.114 192 HE21 GLN 24 2HE2 GLN 24 -11.625 -2.624 -0.259 193 HE22 GLN 24 1HE2 GLN 24 -11.372 -2.064 -1.841 194 H HIS 25 H HIS 25 -13.441 2.699 0.883 195 HA HIS 25 HA HIS 25 -15.894 3.738 2.185 196 HB2 HIS 25 1HB HIS 25 -13.809 3.556 3.511 197 HB3 HIS 25 2HB HIS 25 -13.019 4.670 2.395 198 HD1 HIS 25 HD1 HIS 25 -16.432 5.724 2.699 199 HD2 HIS 25 HD2 HIS 25 -13.016 6.207 5.044 200 HE1 HIS 25 HE1 HIS 25 -16.892 7.679 4.244 201 HE2 HIS 25 HE2 HIS 25 -14.820 7.982 5.675 202 H TYR 26 H TYR 26 -13.249 5.008 0.122 203 HA TYR 26 HA TYR 26 -14.900 7.363 -0.526 204 HB2 TYR 26 1HB TYR 26 -12.121 6.739 -1.526 205 HB3 TYR 26 2HB TYR 26 -12.898 8.309 -1.365 206 HD1 TYR 26 HD1 TYR 26 -13.973 8.559 1.208 207 HD2 TYR 26 HD2 TYR 26 -10.431 6.396 0.074 208 HE1 TYR 26 HE1 TYR 26 -13.116 8.748 3.522 209 HE2 TYR 26 HE2 TYR 26 -9.582 6.584 2.403 210 HH TYR 26 HH TYR 26 -11.558 8.003 4.973 211 H ILE 27 H ILE 27 -12.878 5.253 -2.667 212 HA ILE 27 HA ILE 27 -14.688 5.934 -4.873 213 HB ILE 27 HB ILE 27 -12.582 3.819 -5.171 214 HG12 ILE 27 1HG1 ILE 27 -11.379 5.409 -3.836 215 HG13 ILE 27 2HG1 ILE 27 -10.896 5.648 -5.512 216 HG21 ILE 27 1HG2 ILE 27 -13.371 6.170 -6.886 217 HG22 ILE 27 2HG2 ILE 27 -14.004 4.535 -7.074 218 HG23 ILE 27 3HG2 ILE 27 -12.290 4.854 -7.343 219 HD11 ILE 27 3HD1 ILE 27 -11.324 7.827 -4.939 220 HD12 ILE 27 1HD1 ILE 27 -12.536 7.385 -3.746 221 HD13 ILE 27 2HD1 ILE 27 -12.940 7.363 -5.459 222 H GLY 28 H GLY 28 -13.506 2.635 -4.186 223 HA2 GLY 28 1HA GLY 28 -15.295 1.031 -3.247 224 HA3 GLY 28 2HA GLY 28 -16.327 1.666 -4.528 225 H TRP 29 H TRP 29 -13.587 1.797 -6.106 226 HA TRP 29 HA TRP 29 -13.935 -0.890 -7.305 227 HB2 TRP 29 1HB TRP 29 -13.658 1.411 -8.569 228 HB3 TRP 29 2HB TRP 29 -11.940 1.167 -8.264 229 HD1 TRP 29 HD1 TRP 29 -11.758 -1.966 -8.723 230 HE1 TRP 29 HE1 TRP 29 -12.090 -2.912 -11.105 231 HE3 TRP 29 HE3 TRP 29 -14.290 1.894 -10.842 232 HZ2 TRP 29 HZ2 TRP 29 -13.272 -2.126 -13.572 233 HZ3 TRP 29 HZ3 TRP 29 -15.009 1.790 -13.190 234 HH2 TRP 29 HH2 TRP 29 -14.511 -0.214 -14.579 235 H CYS 30 H CYS 30 -12.720 -2.529 -6.469 236 HA CYS 30 HA CYS 30 -9.848 -2.167 -6.104 237 HB2 CYS 30 1HB CYS 30 -11.730 -2.277 -3.793 238 HB3 CYS 30 2HB CYS 30 -10.223 -3.181 -3.639 239 HA PRO 31 HA PRO 31 -10.626 -6.308 -7.903 240 HB2 PRO 31 1HB PRO 31 -7.755 -6.428 -6.974 241 HB3 PRO 31 2HB PRO 31 -8.483 -7.115 -8.444 242 HG2 PRO 31 1HG PRO 31 -7.179 -4.837 -8.577 243 HG3 PRO 31 2HG PRO 31 -8.718 -5.024 -9.441 244 HD2 PRO 31 1HD PRO 31 -8.140 -3.479 -6.947 245 HD3 PRO 31 2HD PRO 31 -9.346 -3.155 -8.212 246 H PHE 32 H PHE 32 -8.206 -7.490 -5.699 247 HA PHE 32 HA PHE 32 -10.091 -8.079 -3.544 248 HB2 PHE 32 1HB PHE 32 -8.982 -10.381 -5.175 249 HB3 PHE 32 2HB PHE 32 -10.100 -10.481 -3.816 250 HD1 PHE 32 HD1 PHE 32 -12.431 -9.616 -4.047 251 HD2 PHE 32 HD2 PHE 32 -9.740 -9.850 -7.386 252 HE1 PHE 32 HE1 PHE 32 -14.347 -9.394 -5.606 253 HE2 PHE 32 HE2 PHE 32 -11.654 -9.627 -8.946 254 HZ PHE 32 HZ PHE 32 -13.959 -9.401 -8.056 255 H TRP 33 H TRP 33 -7.975 -6.769 -2.882 256 HA TRP 33 HA TRP 33 -5.424 -7.813 -2.695 257 HB2 TRP 33 1HB TRP 33 -7.069 -6.148 -0.864 258 HB3 TRP 33 2HB TRP 33 -5.588 -6.794 -0.206 259 HD1 TRP 33 HD1 TRP 33 -3.390 -5.764 -0.955 260 HE1 TRP 33 HE1 TRP 33 -2.745 -3.754 -2.446 261 HE3 TRP 33 HE3 TRP 33 -7.906 -4.781 -3.083 262 HZ2 TRP 33 HZ2 TRP 33 -3.985 -1.975 -4.278 263 HZ3 TRP 33 HZ3 TRP 33 -8.153 -2.919 -4.695 264 HH2 TRP 33 HH2 TRP 33 -6.202 -1.517 -5.303 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 20.205 -7.614 7.400 2 H2 ASN 1 2H ASN 1 20.542 -6.685 8.783 3 H3 ASN 1 3H ASN 1 20.594 -5.970 7.242 4 HA ASN 1 HA ASN 1 18.393 -6.262 8.994 5 HB2 ASN 1 1HB ASN 1 17.366 -4.872 7.037 6 HB3 ASN 1 2HB ASN 1 18.707 -4.176 7.948 7 HD21 ASN 1 2HD2 ASN 1 17.862 -5.752 4.871 8 HD22 ASN 1 1HD2 ASN 1 19.274 -5.287 4.052 9 H GLU 2 H GLU 2 16.189 -6.275 7.349 10 HA GLU 2 HA GLU 2 15.616 -9.011 7.016 11 HB2 GLU 2 1HB GLU 2 14.170 -6.666 6.777 12 HB3 GLU 2 2HB GLU 2 14.199 -7.220 5.107 13 HG2 GLU 2 1HG GLU 2 13.292 -8.865 7.495 14 HG3 GLU 2 2HG GLU 2 12.229 -8.105 6.313 15 H LEU 3 H LEU 3 16.334 -10.451 5.555 16 HA LEU 3 HA LEU 3 18.225 -9.910 3.574 17 HB2 LEU 3 1HB LEU 3 17.051 -12.195 4.532 18 HB3 LEU 3 2HB LEU 3 16.329 -12.122 2.928 19 HG LEU 3 HG LEU 3 18.806 -11.687 2.128 20 HD11 LEU 3 1HD1 LEU 3 19.382 -13.280 4.634 21 HD12 LEU 3 2HD1 LEU 3 19.547 -11.526 4.596 22 HD13 LEU 3 3HD1 LEU 3 20.531 -12.527 3.529 23 HD21 LEU 3 3HD2 LEU 3 17.685 -14.344 3.060 24 HD22 LEU 3 1HD2 LEU 3 19.185 -14.224 2.141 25 HD23 LEU 3 2HD2 LEU 3 17.670 -13.673 1.430 26 H ASP 4 H ASP 4 15.012 -8.977 3.599 27 HA ASP 4 HA ASP 4 14.764 -8.873 0.637 28 HB2 ASP 4 1HB ASP 4 12.479 -8.427 0.950 29 HB3 ASP 4 2HB ASP 4 12.841 -9.514 2.284 30 H VAL 5 H VAL 5 15.395 -7.065 -0.430 31 HA VAL 5 HA VAL 5 16.140 -4.689 1.127 32 HB VAL 5 HB VAL 5 16.470 -5.038 -1.847 33 HG11 VAL 5 1HG1 VAL 5 18.142 -3.595 0.227 34 HG12 VAL 5 2HG1 VAL 5 16.906 -2.817 -0.762 35 HG13 VAL 5 3HG1 VAL 5 18.331 -3.520 -1.525 36 HG21 VAL 5 3HG2 VAL 5 17.424 -7.038 -0.957 37 HG22 VAL 5 1HG2 VAL 5 18.094 -6.186 0.435 38 HG23 VAL 5 2HG2 VAL 5 18.776 -5.928 -1.172 39 HA PRO 6 HA PRO 6 12.850 -3.107 -2.249 40 HB2 PRO 6 1HB PRO 6 10.884 -5.239 -1.508 41 HB3 PRO 6 2HB PRO 6 11.108 -4.396 -3.046 42 HG2 PRO 6 1HG PRO 6 11.994 -6.859 -2.764 43 HG3 PRO 6 2HG PRO 6 12.980 -5.649 -3.611 44 HD2 PRO 6 1HD PRO 6 13.295 -6.716 -0.824 45 HD3 PRO 6 2HD PRO 6 14.547 -6.303 -2.014 46 H GLU 7 H GLU 7 13.092 -1.668 -0.420 47 HA GLU 7 HA GLU 7 11.046 -1.854 1.704 48 HB2 GLU 7 1HB GLU 7 13.246 -1.301 2.529 49 HB3 GLU 7 2HB GLU 7 13.433 -0.024 1.328 50 HG2 GLU 7 1HG GLU 7 11.838 1.369 2.392 51 HG3 GLU 7 2HG GLU 7 11.172 0.033 3.330 52 H GLN 8 H GLN 8 12.232 0.575 -0.670 53 HA GLN 8 HA GLN 8 10.041 2.351 -0.339 54 HB2 GLN 8 1HB GLN 8 11.754 1.761 -2.768 55 HB3 GLN 8 2HB GLN 8 10.528 3.032 -2.744 56 HG2 GLN 8 1HG GLN 8 12.775 3.927 -2.192 57 HG3 GLN 8 2HG GLN 8 11.656 4.105 -0.840 58 HE21 GLN 8 2HE2 GLN 8 14.077 1.741 -2.089 59 HE22 GLN 8 1HE2 GLN 8 14.633 1.277 -0.555 60 H VAL 9 H VAL 9 10.116 -0.798 -1.388 61 HA VAL 9 HA VAL 9 7.821 -0.650 -3.203 62 HB VAL 9 HB VAL 9 9.362 -2.935 -1.922 63 HG11 VAL 9 1HG1 VAL 9 6.845 -2.990 -3.588 64 HG12 VAL 9 2HG1 VAL 9 7.164 -3.792 -2.048 65 HG13 VAL 9 3HG1 VAL 9 7.946 -4.368 -3.522 66 HG21 VAL 9 3HG2 VAL 9 9.657 -3.396 -4.520 67 HG22 VAL 9 1HG2 VAL 9 10.667 -2.198 -3.711 68 HG23 VAL 9 2HG2 VAL 9 9.274 -1.684 -4.662 69 H ASP 10 H ASP 10 8.405 -2.390 -0.165 70 HA ASP 10 HA ASP 10 5.781 -2.863 0.614 71 HB2 ASP 10 1HB ASP 10 7.629 -3.753 1.887 72 HB3 ASP 10 2HB ASP 10 8.202 -2.133 2.297 73 H LYS 11 H LYS 11 7.690 0.103 1.140 74 HA LYS 11 HA LYS 11 5.637 1.518 2.558 75 HB2 LYS 11 1HB LYS 11 8.102 2.294 1.024 76 HB3 LYS 11 2HB LYS 11 6.940 3.562 1.414 77 HG2 LYS 11 1HG LYS 11 8.657 3.380 3.172 78 HG3 LYS 11 2HG LYS 11 7.069 2.946 3.802 79 HD2 LYS 11 1HD LYS 11 7.576 0.576 3.586 80 HD3 LYS 11 2HD LYS 11 9.113 0.948 2.805 81 HE2 LYS 11 1HE LYS 11 9.389 0.397 5.220 82 HE3 LYS 11 2HE LYS 11 9.926 2.034 4.840 83 HZ1 LYS 11 3HZ LYS 11 7.308 1.262 6.011 84 HZ2 LYS 11 1HZ LYS 11 7.735 2.840 5.559 85 HZ3 LYS 11 2HZ LYS 11 8.577 2.058 6.812 86 H LEU 12 H LEU 12 6.538 1.455 -0.888 87 HA LEU 12 HA LEU 12 4.475 3.110 -1.870 88 HB2 LEU 12 1HB LEU 12 6.187 0.937 -2.921 89 HB3 LEU 12 2HB LEU 12 4.819 1.368 -3.904 90 HG LEU 12 HG LEU 12 7.166 2.540 -4.250 91 HD11 LEU 12 1HD1 LEU 12 5.153 3.072 -5.525 92 HD12 LEU 12 2HD1 LEU 12 6.005 4.555 -5.094 93 HD13 LEU 12 3HD1 LEU 12 4.559 4.079 -4.203 94 HD21 LEU 12 3HD2 LEU 12 6.090 4.668 -2.428 95 HD22 LEU 12 1HD2 LEU 12 7.744 4.345 -2.939 96 HD23 LEU 12 2HD2 LEU 12 6.999 3.351 -1.703 97 H ILE 13 H ILE 13 4.569 -0.452 -1.644 98 HA ILE 13 HA ILE 13 1.902 -1.001 -2.303 99 HB ILE 13 HB ILE 13 3.671 -2.285 -0.204 100 HG12 ILE 13 1HG1 ILE 13 3.317 -2.631 -3.186 101 HG13 ILE 13 2HG1 ILE 13 4.795 -2.339 -2.297 102 HG21 ILE 13 1HG2 ILE 13 1.222 -2.879 -0.021 103 HG22 ILE 13 2HG2 ILE 13 2.265 -4.242 -0.389 104 HG23 ILE 13 3HG2 ILE 13 1.307 -3.495 -1.670 105 HD11 ILE 13 3HD1 ILE 13 3.180 -4.871 -2.399 106 HD12 ILE 13 1HD1 ILE 13 4.417 -4.586 -1.176 107 HD13 ILE 13 2HD1 ILE 13 4.860 -4.630 -2.882 108 H GLN 14 H GLN 14 3.190 -0.594 0.998 109 HA GLN 14 HA GLN 14 0.793 -0.447 2.402 110 HB2 GLN 14 1HB GLN 14 3.500 0.709 2.775 111 HB3 GLN 14 2HB GLN 14 2.242 1.327 3.815 112 HG2 GLN 14 1HG GLN 14 1.703 -1.038 4.467 113 HG3 GLN 14 2HG GLN 14 3.089 -1.568 3.514 114 HE21 GLN 14 2HE2 GLN 14 5.227 -0.283 4.142 115 HE22 GLN 14 1HE2 GLN 14 5.476 -0.051 5.804 116 H GLN 15 H GLN 15 2.329 2.009 0.413 117 HA GLN 15 HA GLN 15 0.446 4.082 1.195 118 HB2 GLN 15 1HB GLN 15 2.727 3.836 -0.680 119 HB3 GLN 15 2HB GLN 15 1.629 5.173 -0.923 120 HG2 GLN 15 1HG GLN 15 2.857 4.565 1.771 121 HG3 GLN 15 2HG GLN 15 3.669 5.594 0.590 122 HE21 GLN 15 2HE2 GLN 15 2.328 6.252 3.282 123 HE22 GLN 15 1HE2 GLN 15 1.253 7.513 2.909 124 H ALA 16 H ALA 16 1.027 2.191 -1.774 125 HA ALA 16 HA ALA 16 -1.319 3.255 -3.097 126 HB1 ALA 16 3HB ALA 16 0.741 2.163 -4.199 127 HB2 ALA 16 1HB ALA 16 -0.842 1.754 -4.858 128 HB3 ALA 16 2HB ALA 16 -0.013 0.623 -3.786 129 H THR 17 H THR 17 -0.858 0.863 -0.698 130 HA THR 17 HA THR 17 -3.106 -0.825 -1.334 131 HB THR 17 HB THR 17 -2.971 -1.190 1.288 132 HG1 THR 17 HG1 THR 17 -1.728 0.661 1.666 133 HG21 THR 17 3HG2 THR 17 -0.902 -2.609 0.928 134 HG22 THR 17 1HG2 THR 17 -0.811 -1.927 -0.696 135 HG23 THR 17 2HG2 THR 17 -2.209 -2.889 -0.221 136 H SER 18 H SER 18 -2.690 1.967 0.812 137 HA SER 18 HA SER 18 -5.119 2.327 1.960 138 HB2 SER 18 1HB SER 18 -3.158 4.194 0.790 139 HB3 SER 18 2HB SER 18 -4.721 4.863 1.223 140 HG SER 18 HG SER 18 -2.709 3.761 2.815 141 H ILE 19 H ILE 19 -4.364 3.561 -1.285 142 HA ILE 19 HA ILE 19 -6.802 4.517 -2.127 143 HB ILE 19 HB ILE 19 -4.684 2.911 -3.556 144 HG12 ILE 19 1HG1 ILE 19 -5.305 5.874 -3.618 145 HG13 ILE 19 2HG1 ILE 19 -4.156 5.157 -2.486 146 HG21 ILE 19 1HG2 ILE 19 -5.678 4.033 -5.612 147 HG22 ILE 19 2HG2 ILE 19 -7.097 4.362 -4.619 148 HG23 ILE 19 3HG2 ILE 19 -6.602 2.700 -4.927 149 HD11 ILE 19 3HD1 ILE 19 -4.016 5.134 -5.504 150 HD12 ILE 19 1HD1 ILE 19 -2.960 4.165 -4.479 151 HD13 ILE 19 2HD1 ILE 19 -2.904 5.926 -4.391 152 H GLU 20 H GLU 20 -5.851 1.210 -1.558 153 HA GLU 20 HA GLU 20 -8.243 0.131 -2.925 154 HB2 GLU 20 1HB GLU 20 -7.142 -1.876 -2.889 155 HB3 GLU 20 2HB GLU 20 -5.740 -0.927 -2.422 156 HG2 GLU 20 1HG GLU 20 -5.861 -2.699 -0.850 157 HG3 GLU 20 2HG GLU 20 -6.492 -1.295 0.007 158 H ARG 21 H ARG 21 -7.086 0.874 0.292 159 HA ARG 21 HA ARG 21 -9.339 -0.282 1.692 160 HB2 ARG 21 1HB ARG 21 -7.222 1.737 2.450 161 HB3 ARG 21 2HB ARG 21 -8.501 1.247 3.557 162 HG2 ARG 21 1HG ARG 21 -7.651 -1.212 2.895 163 HG3 ARG 21 2HG ARG 21 -6.167 -0.341 2.520 164 HD2 ARG 21 1HD ARG 21 -7.641 -0.205 5.160 165 HD3 ARG 21 2HD ARG 21 -6.205 -1.179 4.856 166 HE ARG 21 HE ARG 21 -5.691 1.561 4.152 167 HH11 ARG 21 1HH2 ARG 21 -6.170 -0.576 6.821 168 HH12 ARG 21 2HH2 ARG 21 -5.177 0.342 7.903 169 HH21 ARG 21 1HH1 ARG 21 -4.396 2.767 5.550 170 HH22 ARG 21 2HH1 ARG 21 -4.173 2.236 7.182 171 H LEU 22 H LEU 22 -8.497 2.870 0.345 172 HA LEU 22 HA LEU 22 -10.485 4.461 1.399 173 HB2 LEU 22 1HB LEU 22 -8.848 4.402 -1.026 174 HB3 LEU 22 2HB LEU 22 -10.254 5.412 -1.155 175 HG LEU 22 HG LEU 22 -9.555 6.494 0.934 176 HD11 LEU 22 1HD1 LEU 22 -7.407 6.189 1.868 177 HD12 LEU 22 2HD1 LEU 22 -6.942 5.118 0.548 178 HD13 LEU 22 3HD1 LEU 22 -8.144 4.599 1.728 179 HD21 LEU 22 3HD2 LEU 22 -9.059 7.634 -1.078 180 HD22 LEU 22 1HD2 LEU 22 -7.717 6.548 -1.426 181 HD23 LEU 22 2HD2 LEU 22 -7.592 7.707 -0.104 182 H CYS 23 H CYS 23 -10.601 2.803 -1.689 183 HA CYS 23 HA CYS 23 -13.417 3.211 -2.073 184 HB2 CYS 23 1HB CYS 23 -12.986 1.045 -3.605 185 HB3 CYS 23 2HB CYS 23 -12.419 2.644 -4.076 186 H GLN 24 H GLN 24 -11.746 0.140 -1.256 187 HA GLN 24 HA GLN 24 -13.998 -1.370 -0.618 188 HB2 GLN 24 1HB GLN 24 -11.268 -1.360 0.695 189 HB3 GLN 24 2HB GLN 24 -12.494 -2.585 1.020 190 HG2 GLN 24 1HG GLN 24 -12.581 -3.004 -1.486 191 HG3 GLN 24 2HG GLN 24 -11.152 -1.981 -1.624 192 HE21 GLN 24 2HE2 GLN 24 -10.744 -4.558 -2.430 193 HE22 GLN 24 1HE2 GLN 24 -9.883 -5.441 -1.265 194 H HIS 25 H HIS 25 -12.523 1.199 1.292 195 HA HIS 25 HA HIS 25 -14.299 0.591 3.589 196 HB2 HIS 25 1HB HIS 25 -11.867 1.233 3.893 197 HB3 HIS 25 2HB HIS 25 -12.302 2.849 3.334 198 HD1 HIS 25 HD1 HIS 25 -14.031 0.457 5.766 199 HD2 HIS 25 HD2 HIS 25 -12.620 4.380 5.607 200 HE1 HIS 25 HE1 HIS 25 -14.634 1.528 7.984 201 HE2 HIS 25 HE2 HIS 25 -13.780 3.916 7.896 202 H TYR 26 H TYR 26 -13.475 3.580 1.767 203 HA TYR 26 HA TYR 26 -15.935 4.852 2.606 204 HB2 TYR 26 1HB TYR 26 -13.945 5.634 0.466 205 HB3 TYR 26 2HB TYR 26 -15.214 6.673 1.081 206 HD1 TYR 26 HD2 TYR 26 -15.189 6.518 3.932 207 HD2 TYR 26 HD1 TYR 26 -11.837 6.227 1.251 208 HE1 TYR 26 HE2 TYR 26 -13.663 7.202 5.753 209 HE2 TYR 26 HE1 TYR 26 -10.311 6.904 3.083 210 HH TYR 26 HH TYR 26 -10.780 6.693 6.033 211 H ILE 27 H ILE 27 -14.795 4.145 -0.730 212 HA ILE 27 HA ILE 27 -17.652 4.058 -1.568 213 HB ILE 27 HB ILE 27 -15.190 4.061 -3.320 214 HG12 ILE 27 1HG1 ILE 27 -16.141 6.600 -3.473 215 HG13 ILE 27 2HG1 ILE 27 -16.586 6.261 -1.816 216 HG21 ILE 27 1HG2 ILE 27 -16.730 4.789 -5.041 217 HG22 ILE 27 2HG2 ILE 27 -18.047 4.904 -3.873 218 HG23 ILE 27 3HG2 ILE 27 -17.383 3.328 -4.301 219 HD11 ILE 27 3HD1 ILE 27 -14.466 7.036 -1.440 220 HD12 ILE 27 1HD1 ILE 27 -13.904 6.599 -3.050 221 HD13 ILE 27 2HD1 ILE 27 -14.028 5.374 -1.797 222 H GLY 28 H GLY 28 -14.939 2.294 -3.057 223 HA2 GLY 28 1HA GLY 28 -14.816 -0.228 -2.565 224 HA3 GLY 28 2HA GLY 28 -16.561 -0.227 -2.803 225 H TRP 29 H TRP 29 -14.317 1.719 -4.685 226 HA TRP 29 HA TRP 29 -14.986 0.083 -7.116 227 HB2 TRP 29 1HB TRP 29 -15.828 2.562 -6.826 228 HB3 TRP 29 2HB TRP 29 -14.160 2.987 -7.207 229 HD1 TRP 29 HD1 TRP 29 -13.467 0.958 -9.441 230 HE1 TRP 29 HE1 TRP 29 -14.692 1.033 -11.718 231 HE3 TRP 29 HE3 TRP 29 -17.666 3.452 -8.070 232 HZ2 TRP 29 HZ2 TRP 29 -17.134 2.024 -12.795 233 HZ3 TRP 29 HZ3 TRP 29 -19.426 3.952 -9.709 234 HH2 TRP 29 HH2 TRP 29 -19.185 3.247 -12.083 235 H CYS 30 H CYS 30 -13.046 -1.225 -6.483 236 HA CYS 30 HA CYS 30 -10.613 -0.084 -7.731 237 HB2 CYS 30 1HB CYS 30 -10.723 -1.087 -4.877 238 HB3 CYS 30 2HB CYS 30 -9.221 -0.959 -5.788 239 HA PRO 31 HA PRO 31 -11.312 -4.637 -8.455 240 HB2 PRO 31 1HB PRO 31 -11.860 -4.586 -11.103 241 HB3 PRO 31 2HB PRO 31 -13.107 -4.225 -9.891 242 HG2 PRO 31 1HG PRO 31 -11.506 -2.341 -11.569 243 HG3 PRO 31 2HG PRO 31 -13.227 -2.286 -11.148 244 HD2 PRO 31 1HD PRO 31 -11.267 -0.798 -9.854 245 HD3 PRO 31 2HD PRO 31 -12.825 -1.242 -9.123 246 H PHE 32 H PHE 32 -8.809 -3.784 -8.034 247 HA PHE 32 HA PHE 32 -7.291 -5.058 -10.171 248 HB2 PHE 32 1HB PHE 32 -7.556 -2.784 -11.088 249 HB3 PHE 32 2HB PHE 32 -6.862 -2.108 -9.615 250 HD1 PHE 32 HD2 PHE 32 -6.090 -4.691 -12.231 251 HD2 PHE 32 HD1 PHE 32 -4.560 -1.678 -9.576 252 HE1 PHE 32 HE2 PHE 32 -3.815 -5.025 -13.161 253 HE2 PHE 32 HE1 PHE 32 -2.287 -2.013 -10.507 254 HZ PHE 32 HZ PHE 32 -1.914 -3.684 -12.299 255 H TRP 33 H TRP 33 -7.727 -5.298 -7.234 256 HA TRP 33 HA TRP 33 -4.872 -5.100 -6.350 257 HB2 TRP 33 1HB TRP 33 -7.412 -4.435 -4.930 258 HB3 TRP 33 2HB TRP 33 -6.089 -5.078 -3.993 259 HD1 TRP 33 HD1 TRP 33 -4.275 -3.465 -3.308 260 HE1 TRP 33 HE1 TRP 33 -3.685 -1.010 -3.859 261 HE3 TRP 33 HE3 TRP 33 -7.611 -2.586 -7.057 262 HZ2 TRP 33 HZ2 TRP 33 -4.520 1.038 -5.640 263 HZ3 TRP 33 HZ3 TRP 33 -7.701 -0.371 -8.165 264 HH2 TRP 33 HH2 TRP 33 -6.160 1.444 -7.464 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 17.167 -2.648 6.959 2 H2 ASN 1 2H ASN 1 16.631 -3.595 5.655 3 H3 ASN 1 3H ASN 1 18.282 -3.549 6.052 4 HA ASN 1 HA ASN 1 17.877 -4.669 8.129 5 HB2 ASN 1 1HB ASN 1 15.006 -4.409 7.218 6 HB3 ASN 1 2HB ASN 1 15.503 -5.571 8.447 7 HD21 ASN 1 2HD2 ASN 1 13.958 -4.081 9.791 8 HD22 ASN 1 1HD2 ASN 1 14.669 -2.735 10.543 9 H GLU 2 H GLU 2 15.294 -6.329 6.712 10 HA GLU 2 HA GLU 2 16.652 -8.703 6.203 11 HB2 GLU 2 1HB GLU 2 14.157 -8.383 6.190 12 HB3 GLU 2 2HB GLU 2 14.305 -7.675 4.582 13 HG2 GLU 2 1HG GLU 2 15.063 -9.712 3.630 14 HG3 GLU 2 2HG GLU 2 15.419 -10.413 5.209 15 H LEU 3 H LEU 3 17.033 -9.693 3.996 16 HA LEU 3 HA LEU 3 18.895 -8.037 2.532 17 HB2 LEU 3 1HB LEU 3 18.871 -10.638 2.882 18 HB3 LEU 3 2HB LEU 3 17.809 -10.640 1.478 19 HG LEU 3 HG LEU 3 19.695 -9.111 0.410 20 HD11 LEU 3 1HD1 LEU 3 21.956 -9.790 1.231 21 HD12 LEU 3 2HD1 LEU 3 21.189 -10.604 2.594 22 HD13 LEU 3 3HD1 LEU 3 21.059 -8.854 2.424 23 HD21 LEU 3 3HD2 LEU 3 19.058 -11.379 -0.374 24 HD22 LEU 3 1HD2 LEU 3 20.113 -12.088 0.848 25 HD23 LEU 3 2HD2 LEU 3 20.802 -11.129 -0.462 26 H ASP 4 H ASP 4 15.865 -7.528 2.601 27 HA ASP 4 HA ASP 4 15.125 -7.609 -0.242 28 HB2 ASP 4 1HB ASP 4 13.070 -6.431 0.546 29 HB3 ASP 4 2HB ASP 4 13.371 -7.918 1.446 30 H VAL 5 H VAL 5 16.317 -6.166 -1.469 31 HA VAL 5 HA VAL 5 17.248 -3.675 -0.386 32 HB VAL 5 HB VAL 5 17.078 -4.162 -3.347 33 HG11 VAL 5 1HG1 VAL 5 19.198 -3.028 -3.360 34 HG12 VAL 5 2HG1 VAL 5 19.339 -3.158 -1.606 35 HG13 VAL 5 3HG1 VAL 5 18.120 -2.099 -2.317 36 HG21 VAL 5 3HG2 VAL 5 19.258 -5.499 -3.008 37 HG22 VAL 5 1HG2 VAL 5 17.747 -6.330 -2.639 38 HG23 VAL 5 2HG2 VAL 5 18.738 -5.685 -1.331 39 HA PRO 6 HA PRO 6 13.609 -1.856 -2.971 40 HB2 PRO 6 1HB PRO 6 11.607 -4.017 -3.070 41 HB3 PRO 6 2HB PRO 6 12.257 -3.029 -4.386 42 HG2 PRO 6 1HG PRO 6 12.846 -5.637 -4.147 43 HG3 PRO 6 2HG PRO 6 14.026 -4.460 -4.762 44 HD2 PRO 6 1HD PRO 6 13.798 -5.604 -1.983 45 HD3 PRO 6 2HD PRO 6 15.241 -5.412 -3.001 46 H GLU 7 H GLU 7 13.453 -0.803 -0.972 47 HA GLU 7 HA GLU 7 11.604 -1.868 1.065 48 HB2 GLU 7 1HB GLU 7 13.831 -0.883 1.721 49 HB3 GLU 7 2HB GLU 7 13.222 0.680 1.179 50 HG2 GLU 7 1HG GLU 7 11.379 0.551 2.783 51 HG3 GLU 7 2HG GLU 7 11.910 -1.052 3.292 52 H GLN 8 H GLN 8 12.090 1.226 -0.699 53 HA GLN 8 HA GLN 8 9.611 2.386 0.003 54 HB2 GLN 8 1HB GLN 8 11.137 2.587 -2.614 55 HB3 GLN 8 2HB GLN 8 9.775 3.621 -2.178 56 HG2 GLN 8 1HG GLN 8 11.004 4.384 -0.171 57 HG3 GLN 8 2HG GLN 8 12.375 3.377 -0.638 58 HE21 GLN 8 2HE2 GLN 8 13.847 5.116 -1.081 59 HE22 GLN 8 1HE2 GLN 8 13.607 6.217 -2.350 60 H VAL 9 H VAL 9 10.279 -0.401 -1.709 61 HA VAL 9 HA VAL 9 7.893 -0.472 -3.385 62 HB VAL 9 HB VAL 9 10.111 -2.358 -2.595 63 HG11 VAL 9 1HG1 VAL 9 7.409 -3.171 -3.648 64 HG12 VAL 9 2HG1 VAL 9 8.399 -3.945 -2.409 65 HG13 VAL 9 3HG1 VAL 9 8.842 -4.092 -4.110 66 HG21 VAL 9 3HG2 VAL 9 9.024 -1.273 -5.198 67 HG22 VAL 9 1HG2 VAL 9 10.125 -2.650 -5.156 68 HG23 VAL 9 2HG2 VAL 9 10.639 -1.091 -4.513 69 H ASP 10 H ASP 10 8.955 -2.597 -0.748 70 HA ASP 10 HA ASP 10 6.508 -3.674 0.010 71 HB2 ASP 10 1HB ASP 10 9.075 -3.040 1.405 72 HB3 ASP 10 2HB ASP 10 7.699 -3.392 2.454 73 H LYS 11 H LYS 11 7.901 -0.554 0.952 74 HA LYS 11 HA LYS 11 5.812 0.290 2.711 75 HB2 LYS 11 1HB LYS 11 7.471 2.015 0.864 76 HB3 LYS 11 2HB LYS 11 6.639 2.529 2.326 77 HG2 LYS 11 1HG LYS 11 8.309 0.307 3.077 78 HG3 LYS 11 2HG LYS 11 9.295 1.356 2.070 79 HD2 LYS 11 1HD LYS 11 9.671 2.323 4.132 80 HD3 LYS 11 2HD LYS 11 8.281 3.263 3.621 81 HE2 LYS 11 1HE LYS 11 8.320 0.903 5.513 82 HE3 LYS 11 2HE LYS 11 7.840 2.560 5.873 83 HZ1 LYS 11 3HZ LYS 11 5.821 1.569 5.561 84 HZ2 LYS 11 1HZ LYS 11 6.393 0.484 4.390 85 HZ3 LYS 11 2HZ LYS 11 6.129 2.112 3.982 86 H LEU 12 H LEU 12 6.367 0.930 -0.750 87 HA LEU 12 HA LEU 12 3.950 2.267 -1.314 88 HB2 LEU 12 1HB LEU 12 5.974 0.709 -2.810 89 HB3 LEU 12 2HB LEU 12 4.473 0.980 -3.644 90 HG LEU 12 HG LEU 12 6.496 2.676 -3.878 91 HD11 LEU 12 1HD1 LEU 12 4.334 2.945 -4.977 92 HD12 LEU 12 2HD1 LEU 12 4.874 4.494 -4.330 93 HD13 LEU 12 3HD1 LEU 12 3.630 3.571 -3.486 94 HD21 LEU 12 3HD2 LEU 12 6.334 3.033 -1.224 95 HD22 LEU 12 1HD2 LEU 12 5.124 4.217 -1.699 96 HD23 LEU 12 2HD2 LEU 12 6.774 4.338 -2.306 97 H ILE 13 H ILE 13 4.731 -1.185 -1.716 98 HA ILE 13 HA ILE 13 2.156 -2.122 -2.346 99 HB ILE 13 HB ILE 13 4.290 -3.406 -0.628 100 HG12 ILE 13 1HG1 ILE 13 3.819 -3.219 -3.605 101 HG13 ILE 13 2HG1 ILE 13 5.263 -2.796 -2.712 102 HG21 ILE 13 1HG2 ILE 13 3.273 -5.511 -1.152 103 HG22 ILE 13 2HG2 ILE 13 2.153 -4.759 -2.289 104 HG23 ILE 13 3HG2 ILE 13 1.984 -4.472 -0.559 105 HD11 ILE 13 3HD1 ILE 13 4.192 -5.544 -3.290 106 HD12 ILE 13 1HD1 ILE 13 5.411 -5.250 -2.052 107 HD13 ILE 13 2HD1 ILE 13 5.758 -4.868 -3.738 108 H GLN 14 H GLN 14 3.688 -1.970 0.854 109 HA GLN 14 HA GLN 14 1.470 -2.607 2.442 110 HB2 GLN 14 1HB GLN 14 3.887 -0.914 2.884 111 HB3 GLN 14 2HB GLN 14 2.724 -1.123 4.159 112 HG2 GLN 14 1HG GLN 14 3.989 -3.450 2.703 113 HG3 GLN 14 2HG GLN 14 4.671 -2.764 4.177 114 HE21 GLN 14 2HE2 GLN 14 3.798 -5.430 4.241 115 HE22 GLN 14 1HE2 GLN 14 2.385 -5.546 5.173 116 H GLN 15 H GLN 15 2.467 0.513 1.106 117 HA GLN 15 HA GLN 15 0.530 2.093 2.486 118 HB2 GLN 15 1HB GLN 15 2.211 2.402 0.063 119 HB3 GLN 15 2HB GLN 15 0.949 3.580 0.312 120 HG2 GLN 15 1HG GLN 15 1.872 4.236 2.432 121 HG3 GLN 15 2HG GLN 15 2.988 2.870 2.434 122 HE21 GLN 15 2HE2 GLN 15 2.285 4.930 -0.397 123 HE22 GLN 15 1HE2 GLN 15 3.850 5.573 -0.522 124 H ALA 16 H ALA 16 0.323 -0.000 -0.280 125 HA ALA 16 HA ALA 16 -1.943 1.052 -1.584 126 HB1 ALA 16 3HB ALA 16 -2.154 -1.041 -2.618 127 HB2 ALA 16 1HB ALA 16 -1.632 -1.918 -1.178 128 HB3 ALA 16 2HB ALA 16 -0.455 -1.028 -2.143 129 H THR 17 H THR 17 -1.665 -0.217 1.584 130 HA THR 17 HA THR 17 -4.237 -1.322 2.035 131 HB THR 17 HB THR 17 -3.896 -0.393 4.411 132 HG1 THR 17 HG1 THR 17 -2.591 1.333 3.996 133 HG21 THR 17 3HG2 THR 17 -1.978 -1.931 4.832 134 HG22 THR 17 1HG2 THR 17 -1.729 -2.047 3.091 135 HG23 THR 17 2HG2 THR 17 -3.220 -2.655 3.810 136 H SER 18 H SER 18 -3.145 1.991 1.755 137 HA SER 18 HA SER 18 -5.475 3.314 2.686 138 HB2 SER 18 1HB SER 18 -3.164 4.006 0.975 139 HB3 SER 18 2HB SER 18 -4.565 5.057 0.872 140 HG SER 18 HG SER 18 -4.002 5.838 2.733 141 H ILE 19 H ILE 19 -4.454 3.066 -0.706 142 HA ILE 19 HA ILE 19 -6.732 3.695 -2.052 143 HB ILE 19 HB ILE 19 -4.908 1.363 -2.681 144 HG12 ILE 19 1HG1 ILE 19 -4.751 4.287 -3.491 145 HG13 ILE 19 2HG1 ILE 19 -3.737 3.541 -2.257 146 HG21 ILE 19 1HG2 ILE 19 -6.667 3.104 -4.404 147 HG22 ILE 19 2HG2 ILE 19 -6.974 1.419 -4.000 148 HG23 ILE 19 3HG2 ILE 19 -5.589 1.847 -4.995 149 HD11 ILE 19 3HD1 ILE 19 -2.525 3.568 -4.357 150 HD12 ILE 19 1HD1 ILE 19 -3.875 2.780 -5.173 151 HD13 ILE 19 2HD1 ILE 19 -2.949 1.902 -3.954 152 H GLU 20 H GLU 20 -6.016 0.751 -0.331 153 HA GLU 20 HA GLU 20 -8.395 -0.693 -1.203 154 HB2 GLU 20 1HB GLU 20 -6.289 -1.112 0.913 155 HB3 GLU 20 2HB GLU 20 -7.785 -2.042 1.009 156 HG2 GLU 20 1HG GLU 20 -7.425 -2.991 -1.172 157 HG3 GLU 20 2HG GLU 20 -6.067 -1.906 -1.481 158 H ARG 21 H ARG 21 -7.432 0.899 1.849 159 HA ARG 21 HA ARG 21 -9.904 0.732 3.185 160 HB2 ARG 21 1HB ARG 21 -7.645 2.727 3.211 161 HB3 ARG 21 2HB ARG 21 -9.093 3.038 4.172 162 HG2 ARG 21 1HG ARG 21 -7.695 0.367 4.364 163 HG3 ARG 21 2HG ARG 21 -7.073 1.750 5.259 164 HD2 ARG 21 1HD ARG 21 -9.373 2.051 6.253 165 HD3 ARG 21 2HD ARG 21 -9.842 0.533 5.488 166 HE ARG 21 HE ARG 21 -8.257 0.786 7.887 167 HH11 ARG 21 1HH2 ARG 21 -8.709 -1.012 4.978 168 HH12 ARG 21 2HH2 ARG 21 -8.054 -2.478 5.627 169 HH21 ARG 21 1HH1 ARG 21 -7.398 -1.120 8.748 170 HH22 ARG 21 2HH1 ARG 21 -7.312 -2.539 7.759 171 H LEU 22 H LEU 22 -8.754 3.017 0.749 172 HA LEU 22 HA LEU 22 -10.944 4.783 0.738 173 HB2 LEU 22 1HB LEU 22 -8.732 4.035 -1.041 174 HB3 LEU 22 2HB LEU 22 -10.027 4.925 -1.781 175 HG LEU 22 HG LEU 22 -9.768 6.627 -0.092 176 HD11 LEU 22 1HD1 LEU 22 -7.370 5.107 0.812 177 HD12 LEU 22 2HD1 LEU 22 -8.880 5.245 1.709 178 HD13 LEU 22 3HD1 LEU 22 -7.897 6.673 1.420 179 HD21 LEU 22 3HD2 LEU 22 -7.812 7.643 -0.991 180 HD22 LEU 22 1HD2 LEU 22 -8.504 6.643 -2.267 181 HD23 LEU 22 2HD2 LEU 22 -7.114 6.064 -1.351 182 H CYS 23 H CYS 23 -10.141 2.347 -1.672 183 HA CYS 23 HA CYS 23 -12.531 2.247 -3.087 184 HB2 CYS 23 1HB CYS 23 -11.834 0.162 -3.929 185 HB3 CYS 23 2HB CYS 23 -10.324 0.907 -3.418 186 H GLN 24 H GLN 24 -12.018 1.263 0.176 187 HA GLN 24 HA GLN 24 -14.498 -0.372 0.236 188 HB2 GLN 24 1HB GLN 24 -12.348 0.218 2.282 189 HB3 GLN 24 2HB GLN 24 -13.821 -0.673 2.669 190 HG2 GLN 24 1HG GLN 24 -13.271 -2.285 0.832 191 HG3 GLN 24 2HG GLN 24 -11.737 -1.443 0.603 192 HE21 GLN 24 2HE2 GLN 24 -10.084 -2.574 1.622 193 HE22 GLN 24 1HE2 GLN 24 -10.220 -3.366 3.117 194 H HIS 25 H HIS 25 -13.301 2.789 1.180 195 HA HIS 25 HA HIS 25 -15.758 3.340 2.763 196 HB2 HIS 25 1HB HIS 25 -13.513 4.043 3.611 197 HB3 HIS 25 2HB HIS 25 -13.373 5.129 2.228 198 HD1 HIS 25 HD1 HIS 25 -13.303 6.766 4.578 199 HD2 HIS 25 HD2 HIS 25 -16.978 5.336 3.215 200 HE1 HIS 25 HE1 HIS 25 -15.078 8.263 5.595 201 HE2 HIS 25 HE2 HIS 25 -17.318 7.400 4.773 202 H TYR 26 H TYR 26 -13.954 5.313 0.397 203 HA TYR 26 HA TYR 26 -16.133 6.938 -0.348 204 HB2 TYR 26 1HB TYR 26 -13.649 6.147 -1.873 205 HB3 TYR 26 2HB TYR 26 -14.743 7.419 -2.393 206 HD1 TYR 26 HD2 TYR 26 -15.151 9.402 -0.802 207 HD2 TYR 26 HD1 TYR 26 -12.041 6.516 -0.207 208 HE1 TYR 26 HE2 TYR 26 -13.994 10.964 0.742 209 HE2 TYR 26 HE1 TYR 26 -10.870 8.065 1.340 210 HH TYR 26 HH TYR 26 -11.027 9.998 2.455 211 H ILE 27 H ILE 27 -14.751 4.269 -2.300 212 HA ILE 27 HA ILE 27 -17.218 4.256 -3.928 213 HB ILE 27 HB ILE 27 -14.736 2.576 -4.309 214 HG12 ILE 27 1HG1 ILE 27 -14.542 4.660 -6.128 215 HG13 ILE 27 2HG1 ILE 27 -15.216 5.494 -4.742 216 HG21 ILE 27 1HG2 ILE 27 -15.524 2.323 -6.553 217 HG22 ILE 27 2HG2 ILE 27 -16.744 3.578 -6.342 218 HG23 ILE 27 3HG2 ILE 27 -16.919 2.030 -5.516 219 HD11 ILE 27 3HD1 ILE 27 -13.376 4.386 -3.365 220 HD12 ILE 27 1HD1 ILE 27 -12.863 5.639 -4.490 221 HD13 ILE 27 2HD1 ILE 27 -12.636 3.938 -4.897 222 H GLY 28 H GLY 28 -15.618 2.258 -1.519 223 HA2 GLY 28 1HA GLY 28 -16.596 0.465 -0.310 224 HA3 GLY 28 2HA GLY 28 -18.039 0.625 -1.307 225 H TRP 29 H TRP 29 -16.962 0.334 -3.854 226 HA TRP 29 HA TRP 29 -16.645 -2.535 -3.993 227 HB2 TRP 29 1HB TRP 29 -16.698 -0.259 -5.944 228 HB3 TRP 29 2HB TRP 29 -15.963 -1.760 -6.501 229 HD1 TRP 29 HD1 TRP 29 -19.116 -1.204 -4.297 230 HE1 TRP 29 HE1 TRP 29 -21.053 -2.515 -5.403 231 HE3 TRP 29 HE3 TRP 29 -16.725 -2.967 -8.418 232 HZ2 TRP 29 HZ2 TRP 29 -21.510 -4.098 -7.726 233 HZ3 TRP 29 HZ3 TRP 29 -17.906 -4.364 -10.056 234 HH2 TRP 29 HH2 TRP 29 -20.303 -4.945 -9.734 235 H CYS 30 H CYS 30 -14.766 -3.699 -4.686 236 HA CYS 30 HA CYS 30 -12.181 -2.305 -4.854 237 HB2 CYS 30 1HB CYS 30 -12.767 -4.279 -2.629 238 HB3 CYS 30 2HB CYS 30 -11.188 -3.580 -2.987 239 HA PRO 31 HA PRO 31 -12.307 -5.680 -7.950 240 HB2 PRO 31 1HB PRO 31 -9.373 -5.002 -7.742 241 HB3 PRO 31 2HB PRO 31 -10.323 -5.424 -9.182 242 HG2 PRO 31 1HG PRO 31 -9.795 -2.896 -8.645 243 HG3 PRO 31 2HG PRO 31 -11.405 -3.370 -9.223 244 HD2 PRO 31 1HD PRO 31 -10.569 -2.528 -6.484 245 HD3 PRO 31 2HD PRO 31 -12.154 -2.363 -7.273 246 H PHE 32 H PHE 32 -9.084 -6.275 -6.612 247 HA PHE 32 HA PHE 32 -9.883 -8.149 -4.595 248 HB2 PHE 32 1HB PHE 32 -10.728 -9.476 -6.460 249 HB3 PHE 32 2HB PHE 32 -9.201 -9.297 -7.322 250 HD1 PHE 32 HD1 PHE 32 -10.507 -10.442 -3.993 251 HD2 PHE 32 HD2 PHE 32 -7.608 -11.008 -7.114 252 HE1 PHE 32 HE1 PHE 32 -9.621 -12.433 -2.810 253 HE2 PHE 32 HE2 PHE 32 -6.725 -12.998 -5.931 254 HZ PHE 32 HZ PHE 32 -7.729 -13.711 -3.779 255 H TRP 33 H TRP 33 -8.031 -6.547 -3.980 256 HA TRP 33 HA TRP 33 -5.425 -6.675 -4.944 257 HB2 TRP 33 1HB TRP 33 -6.604 -6.219 -2.257 258 HB3 TRP 33 2HB TRP 33 -4.884 -6.520 -2.305 259 HD1 TRP 33 HD1 TRP 33 -3.370 -4.668 -3.091 260 HE1 TRP 33 HE1 TRP 33 -3.708 -2.231 -3.877 261 HE3 TRP 33 HE3 TRP 33 -8.446 -4.615 -3.628 262 HZ2 TRP 33 HZ2 TRP 33 -5.829 -0.507 -4.618 263 HZ3 TRP 33 HZ3 TRP 33 -9.599 -2.555 -4.370 264 HH2 TRP 33 HH2 TRP 33 -8.303 -0.500 -4.869 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 18.537 -6.976 7.958 2 H2 ASN 1 2H ASN 1 17.445 -6.622 6.705 3 H3 ASN 1 3H ASN 1 18.969 -7.281 6.347 4 HA ASN 1 HA ASN 1 18.398 -9.380 6.978 5 HB2 ASN 1 1HB ASN 1 16.451 -9.768 8.554 6 HB3 ASN 1 2HB ASN 1 17.804 -8.887 9.261 7 HD21 ASN 1 2HD2 ASN 1 14.707 -8.214 7.526 8 HD22 ASN 1 1HD2 ASN 1 14.353 -6.808 8.407 9 H GLU 2 H GLU 2 15.881 -6.974 6.314 10 HA GLU 2 HA GLU 2 13.870 -8.543 5.198 11 HB2 GLU 2 1HB GLU 2 13.653 -6.531 3.518 12 HB3 GLU 2 2HB GLU 2 13.397 -6.248 5.241 13 HG2 GLU 2 1HG GLU 2 15.595 -5.351 5.523 14 HG3 GLU 2 2HG GLU 2 16.101 -5.904 3.928 15 H LEU 3 H LEU 3 14.274 -10.276 3.884 16 HA LEU 3 HA LEU 3 16.450 -10.485 2.062 17 HB2 LEU 3 1HB LEU 3 14.799 -12.318 2.946 18 HB3 LEU 3 2HB LEU 3 13.797 -11.844 1.578 19 HG LEU 3 HG LEU 3 16.046 -12.140 0.201 20 HD11 LEU 3 1HD1 LEU 3 16.510 -13.885 2.644 21 HD12 LEU 3 2HD1 LEU 3 17.519 -12.537 2.118 22 HD13 LEU 3 3HD1 LEU 3 17.422 -14.000 1.140 23 HD21 LEU 3 3HD2 LEU 3 14.376 -14.438 1.268 24 HD22 LEU 3 1HD2 LEU 3 15.476 -14.570 -0.106 25 HD23 LEU 3 2HD2 LEU 3 14.075 -13.503 -0.197 26 H ASP 4 H ASP 4 13.873 -8.416 2.005 27 HA ASP 4 HA ASP 4 13.825 -8.194 -0.984 28 HB2 ASP 4 1HB ASP 4 11.735 -6.988 -0.709 29 HB3 ASP 4 2HB ASP 4 11.628 -8.491 0.204 30 H VAL 5 H VAL 5 15.139 -6.612 -1.737 31 HA VAL 5 HA VAL 5 16.197 -4.575 0.031 32 HB VAL 5 HB VAL 5 16.534 -4.525 -2.959 33 HG11 VAL 5 1HG1 VAL 5 18.642 -3.579 -2.460 34 HG12 VAL 5 2HG1 VAL 5 18.611 -4.166 -0.798 35 HG13 VAL 5 3HG1 VAL 5 17.556 -2.839 -1.285 36 HG21 VAL 5 3HG2 VAL 5 17.679 -6.519 -0.992 37 HG22 VAL 5 1HG2 VAL 5 18.445 -6.175 -2.544 38 HG23 VAL 5 2HG2 VAL 5 16.817 -6.856 -2.494 39 HA PRO 6 HA PRO 6 13.328 -1.965 -3.167 40 HB2 PRO 6 1HB PRO 6 11.056 -3.830 -2.569 41 HB3 PRO 6 2HB PRO 6 11.338 -2.814 -4.001 42 HG2 PRO 6 1HG PRO 6 11.851 -5.360 -4.154 43 HG3 PRO 6 2HG PRO 6 13.048 -4.206 -4.783 44 HD2 PRO 6 1HD PRO 6 13.080 -5.728 -2.195 45 HD3 PRO 6 2HD PRO 6 14.423 -5.404 -3.315 46 H GLU 7 H GLU 7 13.290 -0.286 -1.752 47 HA GLU 7 HA GLU 7 11.879 -0.558 0.826 48 HB2 GLU 7 1HB GLU 7 12.974 1.508 1.472 49 HB3 GLU 7 2HB GLU 7 14.174 0.422 0.776 50 HG2 GLU 7 1HG GLU 7 13.644 1.644 -1.468 51 HG3 GLU 7 2HG GLU 7 12.937 2.891 -0.437 52 H GLN 8 H GLN 8 11.921 1.858 -1.879 53 HA GLN 8 HA GLN 8 9.589 3.210 -0.975 54 HB2 GLN 8 1HB GLN 8 10.368 2.762 -3.878 55 HB3 GLN 8 2HB GLN 8 9.282 4.009 -3.267 56 HG2 GLN 8 1HG GLN 8 11.237 5.257 -3.395 57 HG3 GLN 8 2HG GLN 8 11.416 4.628 -1.758 58 HE21 GLN 8 2HE2 GLN 8 11.917 2.936 -4.901 59 HE22 GLN 8 1HE2 GLN 8 13.544 2.549 -4.605 60 H VAL 9 H VAL 9 10.018 0.091 -1.982 61 HA VAL 9 HA VAL 9 7.344 -0.338 -3.078 62 HB VAL 9 HB VAL 9 9.780 -1.994 -2.471 63 HG11 VAL 9 1HG1 VAL 9 8.114 -3.443 -1.539 64 HG12 VAL 9 2HG1 VAL 9 8.401 -4.045 -3.171 65 HG13 VAL 9 3HG1 VAL 9 6.969 -3.075 -2.829 66 HG21 VAL 9 3HG2 VAL 9 8.035 -1.503 -4.897 67 HG22 VAL 9 1HG2 VAL 9 9.217 -2.809 -4.852 68 HG23 VAL 9 2HG2 VAL 9 9.746 -1.137 -4.678 69 H ASP 10 H ASP 10 9.085 -1.711 -0.281 70 HA ASP 10 HA ASP 10 6.918 -2.667 1.181 71 HB2 ASP 10 1HB ASP 10 9.210 -3.011 1.940 72 HB3 ASP 10 2HB ASP 10 9.415 -1.281 2.218 73 H LYS 11 H LYS 11 8.178 0.664 1.106 74 HA LYS 11 HA LYS 11 6.313 1.730 3.005 75 HB2 LYS 11 1HB LYS 11 8.021 2.883 0.810 76 HB3 LYS 11 2HB LYS 11 6.758 3.900 1.503 77 HG2 LYS 11 1HG LYS 11 8.830 4.285 2.716 78 HG3 LYS 11 2HG LYS 11 7.699 3.447 3.775 79 HD2 LYS 11 1HD LYS 11 8.798 1.302 3.273 80 HD3 LYS 11 2HD LYS 11 9.916 2.125 2.185 81 HE2 LYS 11 1HE LYS 11 10.631 3.553 4.141 82 HE3 LYS 11 2HE LYS 11 9.664 2.505 5.178 83 HZ1 LYS 11 3HZ LYS 11 11.564 1.344 5.305 84 HZ2 LYS 11 1HZ LYS 11 12.195 1.987 3.869 85 HZ3 LYS 11 2HZ LYS 11 11.078 0.710 3.805 86 H LEU 12 H LEU 12 6.259 1.583 -0.554 87 HA LEU 12 HA LEU 12 3.676 2.651 -0.944 88 HB2 LEU 12 1HB LEU 12 5.539 0.884 -2.410 89 HB3 LEU 12 2HB LEU 12 3.897 0.903 -2.993 90 HG LEU 12 HG LEU 12 5.679 2.571 -3.974 91 HD11 LEU 12 1HD1 LEU 12 3.886 4.223 -4.411 92 HD12 LEU 12 2HD1 LEU 12 2.912 3.481 -3.143 93 HD13 LEU 12 3HD1 LEU 12 3.314 2.565 -4.596 94 HD21 LEU 12 3HD2 LEU 12 6.178 4.522 -2.857 95 HD22 LEU 12 1HD2 LEU 12 6.063 3.449 -1.476 96 HD23 LEU 12 2HD2 LEU 12 4.709 4.490 -1.883 97 H ILE 13 H ILE 13 4.683 -0.775 -0.744 98 HA ILE 13 HA ILE 13 2.154 -1.960 -0.671 99 HB ILE 13 HB ILE 13 4.615 -2.694 0.920 100 HG12 ILE 13 1HG1 ILE 13 3.650 -3.278 -1.886 101 HG13 ILE 13 2HG1 ILE 13 5.183 -2.596 -1.394 102 HG21 ILE 13 1HG2 ILE 13 2.473 -3.792 1.678 103 HG22 ILE 13 2HG2 ILE 13 3.669 -4.919 1.059 104 HG23 ILE 13 3HG2 ILE 13 2.298 -4.445 0.051 105 HD11 ILE 13 3HD1 ILE 13 4.248 -5.434 -1.079 106 HD12 ILE 13 1HD1 ILE 13 5.638 -4.794 -0.205 107 HD13 ILE 13 2HD1 ILE 13 5.652 -4.844 -1.968 108 H GLN 14 H GLN 14 4.086 -0.930 2.143 109 HA GLN 14 HA GLN 14 2.190 -1.284 4.160 110 HB2 GLN 14 1HB GLN 14 4.454 0.582 3.715 111 HB3 GLN 14 2HB GLN 14 3.387 0.963 5.042 112 HG2 GLN 14 1HG GLN 14 3.802 -1.188 6.072 113 HG3 GLN 14 2HG GLN 14 4.696 -1.742 4.656 114 HE21 GLN 14 2HE2 GLN 14 6.246 -1.966 6.799 115 HE22 GLN 14 1HE2 GLN 14 7.329 -0.673 6.982 116 H GLN 15 H GLN 15 2.466 1.255 1.762 117 HA GLN 15 HA GLN 15 0.207 2.761 2.856 118 HB2 GLN 15 1HB GLN 15 2.148 3.086 0.632 119 HB3 GLN 15 2HB GLN 15 0.686 4.042 0.592 120 HG2 GLN 15 1HG GLN 15 2.555 3.928 2.972 121 HG3 GLN 15 2HG GLN 15 2.659 5.165 1.718 122 HE21 GLN 15 2HE2 GLN 15 0.900 6.739 1.572 123 HE22 GLN 15 1HE2 GLN 15 -0.218 6.931 2.836 124 H ALA 16 H ALA 16 0.677 0.111 0.800 125 HA ALA 16 HA ALA 16 -1.537 0.619 -1.022 126 HB1 ALA 16 3HB ALA 16 -1.224 -1.733 -1.685 127 HB2 ALA 16 1HB ALA 16 -0.144 -1.987 -0.316 128 HB3 ALA 16 2HB ALA 16 0.324 -0.895 -1.622 129 H THR 17 H THR 17 -1.307 -0.292 2.230 130 HA THR 17 HA THR 17 -3.703 -1.956 2.327 131 HB THR 17 HB THR 17 -3.496 -1.428 4.841 132 HG1 THR 17 HG1 THR 17 -0.892 -0.680 4.409 133 HG21 THR 17 3HG2 THR 17 -1.310 -2.759 3.239 134 HG22 THR 17 1HG2 THR 17 -2.671 -3.521 4.062 135 HG23 THR 17 2HG2 THR 17 -1.354 -2.816 5.001 136 H SER 18 H SER 18 -3.062 1.292 1.900 137 HA SER 18 HA SER 18 -5.516 2.286 3.185 138 HB2 SER 18 1HB SER 18 -3.060 3.477 2.057 139 HB3 SER 18 2HB SER 18 -4.516 4.456 1.987 140 HG SER 18 HG SER 18 -4.417 4.696 4.077 141 H ILE 19 H ILE 19 -4.056 2.961 0.019 142 HA ILE 19 HA ILE 19 -6.159 3.858 -1.427 143 HB ILE 19 HB ILE 19 -4.106 1.828 -2.359 144 HG12 ILE 19 1HG1 ILE 19 -4.110 4.868 -2.250 145 HG13 ILE 19 2HG1 ILE 19 -3.119 3.804 -1.255 146 HG21 ILE 19 1HG2 ILE 19 -5.710 3.904 -3.856 147 HG22 ILE 19 2HG2 ILE 19 -6.012 2.172 -3.896 148 HG23 ILE 19 3HG2 ILE 19 -4.517 2.814 -4.556 149 HD11 ILE 19 3HD1 ILE 19 -1.744 4.557 -3.072 150 HD12 ILE 19 1HD1 ILE 19 -2.996 4.160 -4.249 151 HD13 ILE 19 2HD1 ILE 19 -2.151 2.871 -3.391 152 H GLU 20 H GLU 20 -5.611 0.565 -0.416 153 HA GLU 20 HA GLU 20 -7.804 -0.518 -2.033 154 HB2 GLU 20 1HB GLU 20 -7.365 -2.612 -1.004 155 HB3 GLU 20 2HB GLU 20 -5.784 -1.849 -1.128 156 HG2 GLU 20 1HG GLU 20 -6.107 -1.024 1.250 157 HG3 GLU 20 2HG GLU 20 -7.538 -2.055 1.334 158 H ARG 21 H ARG 21 -7.311 0.339 1.373 159 HA ARG 21 HA ARG 21 -9.933 -0.228 2.313 160 HB2 ARG 21 1HB ARG 21 -7.667 1.549 3.146 161 HB3 ARG 21 2HB ARG 21 -9.230 1.822 3.912 162 HG2 ARG 21 1HG ARG 21 -8.319 -1.028 3.794 163 HG3 ARG 21 2HG ARG 21 -7.391 0.031 4.849 164 HD2 ARG 21 1HD ARG 21 -10.411 -0.082 4.962 165 HD3 ARG 21 2HD ARG 21 -9.390 -1.161 5.914 166 HE ARG 21 HE ARG 21 -8.767 1.705 6.176 167 HH11 ARG 21 1HH2 ARG 21 -10.470 -1.066 7.340 168 HH12 ARG 21 2HH2 ARG 21 -10.647 -0.441 8.945 169 HH21 ARG 21 1HH1 ARG 21 -8.991 2.527 8.263 170 HH22 ARG 21 2HH1 ARG 21 -9.812 1.590 9.467 171 H LEU 22 H LEU 22 -8.524 2.647 0.786 172 HA LEU 22 HA LEU 22 -10.665 4.416 0.988 173 HB2 LEU 22 1HB LEU 22 -8.349 4.023 -0.774 174 HB3 LEU 22 2HB LEU 22 -9.573 5.082 -1.401 175 HG LEU 22 HG LEU 22 -9.452 6.352 0.659 176 HD11 LEU 22 1HD1 LEU 22 -7.466 5.974 2.136 177 HD12 LEU 22 2HD1 LEU 22 -7.292 4.429 1.316 178 HD13 LEU 22 3HD1 LEU 22 -8.750 4.772 2.240 179 HD21 LEU 22 3HD2 LEU 22 -8.170 7.216 -1.130 180 HD22 LEU 22 1HD2 LEU 22 -6.931 5.985 -0.904 181 HD23 LEU 22 2HD2 LEU 22 -7.117 7.272 0.284 182 H CYS 23 H CYS 23 -9.836 2.413 -1.784 183 HA CYS 23 HA CYS 23 -12.140 2.882 -3.308 184 HB2 CYS 23 1HB CYS 23 -11.553 1.007 -4.615 185 HB3 CYS 23 2HB CYS 23 -10.017 1.496 -3.905 186 H GLN 24 H GLN 24 -11.710 0.174 -0.978 187 HA GLN 24 HA GLN 24 -14.359 -0.831 -1.274 188 HB2 GLN 24 1HB GLN 24 -12.412 -0.972 1.040 189 HB3 GLN 24 2HB GLN 24 -13.948 -1.840 1.014 190 HG2 GLN 24 1HG GLN 24 -13.245 -2.895 -1.154 191 HG3 GLN 24 2HG GLN 24 -11.666 -2.138 -0.955 192 HE21 GLN 24 2HE2 GLN 24 -11.127 -4.642 -0.973 193 HE22 GLN 24 1HE2 GLN 24 -11.084 -5.392 0.549 194 H HIS 25 H HIS 25 -13.131 1.914 0.487 195 HA HIS 25 HA HIS 25 -15.656 2.181 2.029 196 HB2 HIS 25 1HB HIS 25 -13.394 2.588 3.078 197 HB3 HIS 25 2HB HIS 25 -13.242 4.007 2.040 198 HD1 HIS 25 HD1 HIS 25 -14.268 3.177 5.329 199 HD2 HIS 25 HD2 HIS 25 -15.834 5.687 2.389 200 HE1 HIS 25 HE1 HIS 25 -15.808 4.801 6.519 201 HE2 HIS 25 HE2 HIS 25 -16.765 6.334 4.738 202 H TYR 26 H TYR 26 -13.719 4.128 -0.285 203 HA TYR 26 HA TYR 26 -16.046 5.920 -0.670 204 HB2 TYR 26 1HB TYR 26 -13.226 6.118 -1.755 205 HB3 TYR 26 2HB TYR 26 -14.457 7.376 -1.770 206 HD1 TYR 26 HD1 TYR 26 -15.585 7.818 0.634 207 HD2 TYR 26 HD2 TYR 26 -11.660 6.204 -0.013 208 HE1 TYR 26 HE1 TYR 26 -14.925 8.506 2.923 209 HE2 TYR 26 HE2 TYR 26 -10.998 6.883 2.283 210 HH TYR 26 HH TYR 26 -11.994 7.434 4.391 211 H ILE 27 H ILE 27 -13.629 4.856 -3.090 212 HA ILE 27 HA ILE 27 -15.485 5.005 -5.225 213 HB ILE 27 HB ILE 27 -13.170 3.094 -5.348 214 HG12 ILE 27 1HG1 ILE 27 -12.164 4.945 -4.205 215 HG13 ILE 27 2HG1 ILE 27 -11.735 5.098 -5.904 216 HG21 ILE 27 1HG2 ILE 27 -14.619 3.389 -7.319 217 HG22 ILE 27 2HG2 ILE 27 -12.982 3.972 -7.619 218 HG23 ILE 27 3HG2 ILE 27 -14.279 5.119 -7.287 219 HD11 ILE 27 3HD1 ILE 27 -12.431 7.244 -5.390 220 HD12 ILE 27 1HD1 ILE 27 -13.676 6.677 -4.287 221 HD13 ILE 27 2HD1 ILE 27 -13.914 6.538 -6.027 222 H GLY 28 H GLY 28 -14.046 1.849 -4.410 223 HA2 GLY 28 1HA GLY 28 -15.790 0.166 -3.450 224 HA3 GLY 28 2HA GLY 28 -16.727 0.607 -4.880 225 H TRP 29 H TRP 29 -15.152 0.588 -6.953 226 HA TRP 29 HA TRP 29 -14.456 -2.162 -7.374 227 HB2 TRP 29 1HB TRP 29 -15.066 -0.338 -9.123 228 HB3 TRP 29 2HB TRP 29 -13.363 0.122 -9.029 229 HD1 TRP 29 HD1 TRP 29 -15.462 -3.082 -9.721 230 HE1 TRP 29 HE1 TRP 29 -14.101 -4.514 -11.397 231 HE3 TRP 29 HE3 TRP 29 -11.290 -0.238 -10.076 232 HZ2 TRP 29 HZ2 TRP 29 -11.570 -4.438 -12.707 233 HZ3 TRP 29 HZ3 TRP 29 -9.420 -0.903 -11.526 234 HH2 TRP 29 HH2 TRP 29 -9.533 -3.007 -12.854 235 H CYS 30 H CYS 30 -12.428 -3.179 -7.322 236 HA CYS 30 HA CYS 30 -10.010 -1.604 -6.779 237 HB2 CYS 30 1HB CYS 30 -10.645 -3.782 -4.794 238 HB3 CYS 30 2HB CYS 30 -9.555 -2.413 -4.629 239 HA PRO 31 HA PRO 31 -8.767 -4.867 -9.643 240 HB2 PRO 31 1HB PRO 31 -6.173 -4.369 -8.186 241 HB3 PRO 31 2HB PRO 31 -6.445 -4.650 -9.916 242 HG2 PRO 31 1HG PRO 31 -6.101 -2.193 -8.986 243 HG3 PRO 31 2HG PRO 31 -7.296 -2.524 -10.256 244 HD2 PRO 31 1HD PRO 31 -7.755 -1.872 -7.381 245 HD3 PRO 31 2HD PRO 31 -8.815 -1.596 -8.780 246 H PHE 32 H PHE 32 -6.410 -5.711 -7.137 247 HA PHE 32 HA PHE 32 -8.167 -7.743 -5.963 248 HB2 PHE 32 1HB PHE 32 -5.784 -8.594 -7.639 249 HB3 PHE 32 2HB PHE 32 -6.841 -9.661 -6.717 250 HD1 PHE 32 HD2 PHE 32 -9.265 -9.872 -7.360 251 HD2 PHE 32 HD1 PHE 32 -6.412 -7.780 -9.798 252 HE1 PHE 32 HE2 PHE 32 -10.819 -10.001 -9.290 253 HE2 PHE 32 HE1 PHE 32 -7.966 -7.911 -11.727 254 HZ PHE 32 HZ PHE 32 -10.168 -9.021 -11.473 255 H TRP 33 H TRP 33 -7.054 -5.898 -4.395 256 HA TRP 33 HA TRP 33 -4.356 -6.344 -3.572 257 HB2 TRP 33 1HB TRP 33 -6.735 -5.044 -2.363 258 HB3 TRP 33 2HB TRP 33 -5.441 -5.455 -1.269 259 HD1 TRP 33 HD1 TRP 33 -3.028 -4.455 -1.898 260 HE1 TRP 33 HE1 TRP 33 -2.401 -2.175 -2.946 261 HE3 TRP 33 HE3 TRP 33 -7.492 -3.209 -3.968 262 HZ2 TRP 33 HZ2 TRP 33 -3.644 -0.105 -4.444 263 HZ3 TRP 33 HZ3 TRP 33 -7.757 -1.071 -5.204 264 HH2 TRP 33 HH2 TRP 33 -5.840 0.473 -5.455 Start of MODEL 11 1 H1 ASN 1 1H ASN 1 20.685 -11.423 1.626 2 H2 ASN 1 2H ASN 1 21.074 -13.045 1.954 3 H3 ASN 1 3H ASN 1 21.381 -11.843 3.115 4 HA ASN 1 HA ASN 1 19.197 -13.421 3.072 5 HB2 ASN 1 1HB ASN 1 18.308 -11.833 4.729 6 HB3 ASN 1 2HB ASN 1 20.045 -12.047 4.956 7 HD21 ASN 1 2HD2 ASN 1 17.776 -9.657 4.958 8 HD22 ASN 1 1HD2 ASN 1 18.716 -8.356 4.404 9 H GLU 2 H GLU 2 17.129 -11.265 3.488 10 HA GLU 2 HA GLU 2 15.847 -11.455 0.946 11 HB2 GLU 2 1HB GLU 2 14.436 -9.486 1.943 12 HB3 GLU 2 2HB GLU 2 14.385 -11.059 2.738 13 HG2 GLU 2 1HG GLU 2 15.867 -10.368 4.457 14 HG3 GLU 2 2HG GLU 2 16.376 -8.940 3.557 15 H LEU 3 H LEU 3 17.086 -10.658 -0.756 16 HA LEU 3 HA LEU 3 18.453 -8.109 -0.607 17 HB2 LEU 3 1HB LEU 3 18.566 -10.323 -2.275 18 HB3 LEU 3 2HB LEU 3 17.795 -9.138 -3.316 19 HG LEU 3 HG LEU 3 20.234 -9.105 -3.594 20 HD11 LEU 3 1HD1 LEU 3 19.075 -6.650 -2.253 21 HD12 LEU 3 2HD1 LEU 3 19.128 -7.008 -3.976 22 HD13 LEU 3 3HD1 LEU 3 20.619 -6.669 -3.101 23 HD21 LEU 3 3HD2 LEU 3 21.764 -8.966 -1.892 24 HD22 LEU 3 1HD2 LEU 3 20.460 -9.695 -0.958 25 HD23 LEU 3 2HD2 LEU 3 20.736 -7.955 -0.880 26 H ASP 4 H ASP 4 15.378 -8.527 -0.303 27 HA ASP 4 HA ASP 4 13.864 -7.323 -2.272 28 HB2 ASP 4 1HB ASP 4 12.412 -6.444 -0.473 29 HB3 ASP 4 2HB ASP 4 12.921 -8.099 -0.133 30 H VAL 5 H VAL 5 15.072 -5.750 -3.440 31 HA VAL 5 HA VAL 5 16.194 -3.443 -2.104 32 HB VAL 5 HB VAL 5 15.589 -3.535 -5.054 33 HG11 VAL 5 1HG1 VAL 5 17.953 -2.504 -3.463 34 HG12 VAL 5 2HG1 VAL 5 16.609 -1.508 -4.024 35 HG13 VAL 5 3HG1 VAL 5 17.679 -2.285 -5.192 36 HG21 VAL 5 3HG2 VAL 5 17.758 -5.034 -3.556 37 HG22 VAL 5 1HG2 VAL 5 17.780 -4.752 -5.297 38 HG23 VAL 5 2HG2 VAL 5 16.502 -5.732 -4.579 39 HA PRO 6 HA PRO 6 12.063 -1.591 -4.240 40 HB2 PRO 6 1HB PRO 6 10.422 -3.813 -3.075 41 HB3 PRO 6 2HB PRO 6 10.140 -2.837 -4.533 42 HG2 PRO 6 1HG PRO 6 11.049 -5.268 -4.792 43 HG3 PRO 6 2HG PRO 6 11.785 -3.961 -5.745 44 HD2 PRO 6 1HD PRO 6 12.815 -5.286 -3.255 45 HD3 PRO 6 2HD PRO 6 13.706 -4.806 -4.716 46 H GLU 7 H GLU 7 12.166 0.067 -2.812 47 HA GLU 7 HA GLU 7 11.533 -0.370 0.041 48 HB2 GLU 7 1HB GLU 7 12.677 1.976 -1.490 49 HB3 GLU 7 2HB GLU 7 12.198 2.093 0.203 50 HG2 GLU 7 1HG GLU 7 14.137 0.011 -0.831 51 HG3 GLU 7 2HG GLU 7 14.647 1.563 -0.171 52 H GLN 8 H GLN 8 10.585 2.021 -2.485 53 HA GLN 8 HA GLN 8 8.316 2.988 -1.101 54 HB2 GLN 8 1HB GLN 8 8.828 2.705 -4.074 55 HB3 GLN 8 2HB GLN 8 7.377 3.477 -3.424 56 HG2 GLN 8 1HG GLN 8 9.187 5.118 -3.956 57 HG3 GLN 8 2HG GLN 8 8.734 5.131 -2.251 58 HE21 GLN 8 2HE2 GLN 8 10.745 5.672 -1.285 59 HE22 GLN 8 1HE2 GLN 8 12.153 4.742 -1.469 60 H VAL 9 H VAL 9 8.953 -0.071 -2.237 61 HA VAL 9 HA VAL 9 6.179 -0.859 -2.737 62 HB VAL 9 HB VAL 9 8.867 -2.216 -2.696 63 HG11 VAL 9 1HG1 VAL 9 7.576 -4.397 -3.173 64 HG12 VAL 9 2HG1 VAL 9 6.170 -3.584 -2.488 65 HG13 VAL 9 3HG1 VAL 9 7.603 -3.853 -1.496 66 HG21 VAL 9 3HG2 VAL 9 8.301 -1.361 -4.828 67 HG22 VAL 9 1HG2 VAL 9 6.623 -1.891 -4.704 68 HG23 VAL 9 2HG2 VAL 9 7.905 -3.075 -4.936 69 H ASP 10 H ASP 10 8.645 -2.021 -0.453 70 HA ASP 10 HA ASP 10 7.025 -3.240 1.442 71 HB2 ASP 10 1HB ASP 10 9.406 -3.357 1.697 72 HB3 ASP 10 2HB ASP 10 9.558 -1.602 1.780 73 H LYS 11 H LYS 11 7.547 0.231 0.980 74 HA LYS 11 HA LYS 11 6.146 0.996 3.386 75 HB2 LYS 11 1HB LYS 11 7.635 2.618 2.636 76 HB3 LYS 11 2HB LYS 11 7.265 2.322 0.941 77 HG2 LYS 11 1HG LYS 11 5.403 3.672 0.961 78 HG3 LYS 11 2HG LYS 11 5.065 3.391 2.663 79 HD2 LYS 11 1HD LYS 11 6.722 4.901 3.375 80 HD3 LYS 11 2HD LYS 11 7.508 4.924 1.797 81 HE2 LYS 11 1HE LYS 11 5.807 6.251 0.833 82 HE3 LYS 11 2HE LYS 11 4.671 5.897 2.134 83 HZ1 LYS 11 3HZ LYS 11 6.483 8.018 1.952 84 HZ2 LYS 11 1HZ LYS 11 6.967 7.042 3.251 85 HZ3 LYS 11 2HZ LYS 11 5.390 7.674 3.207 86 H LEU 12 H LEU 12 5.371 0.877 -0.098 87 HA LEU 12 HA LEU 12 2.647 1.608 0.049 88 HB2 LEU 12 1HB LEU 12 4.360 -0.002 -1.744 89 HB3 LEU 12 2HB LEU 12 2.648 -0.206 -1.965 90 HG LEU 12 HG LEU 12 3.999 1.610 -3.340 91 HD11 LEU 12 1HD1 LEU 12 1.955 2.933 -3.573 92 HD12 LEU 12 2HD1 LEU 12 1.337 2.273 -2.059 93 HD13 LEU 12 3HD1 LEU 12 1.557 1.219 -3.456 94 HD21 LEU 12 3HD2 LEU 12 4.398 3.677 -2.407 95 HD22 LEU 12 1HD2 LEU 12 4.678 2.685 -0.990 96 HD23 LEU 12 2HD2 LEU 12 3.141 3.508 -1.183 97 H ILE 13 H ILE 13 4.127 -1.645 0.154 98 HA ILE 13 HA ILE 13 1.851 -3.169 0.733 99 HB ILE 13 HB ILE 13 4.660 -3.423 1.837 100 HG12 ILE 13 1HG1 ILE 13 3.288 -4.330 -0.701 101 HG13 ILE 13 2HG1 ILE 13 4.752 -3.383 -0.543 102 HG21 ILE 13 1HG2 ILE 13 2.870 -4.797 3.018 103 HG22 ILE 13 2HG2 ILE 13 4.158 -5.729 2.270 104 HG23 ILE 13 3HG2 ILE 13 2.587 -5.605 1.477 105 HD11 ILE 13 3HD1 ILE 13 5.771 -5.408 0.622 106 HD12 ILE 13 1HD1 ILE 13 5.490 -5.554 -1.113 107 HD13 ILE 13 2HD1 ILE 13 4.378 -6.309 0.027 108 H GLN 14 H GLN 14 4.108 -1.772 3.092 109 HA GLN 14 HA GLN 14 2.586 -2.249 5.415 110 HB2 GLN 14 1HB GLN 14 4.764 -0.396 4.630 111 HB3 GLN 14 2HB GLN 14 3.934 -0.014 6.120 112 HG2 GLN 14 1HG GLN 14 4.394 -2.330 6.924 113 HG3 GLN 14 2HG GLN 14 5.294 -2.639 5.439 114 HE21 GLN 14 2HE2 GLN 14 6.375 0.174 5.389 115 HE22 GLN 14 1HE2 GLN 14 7.571 0.215 6.593 116 H GLN 15 H GLN 15 2.268 0.218 2.971 117 HA GLN 15 HA GLN 15 0.299 1.722 4.583 118 HB2 GLN 15 1HB GLN 15 1.804 2.196 2.062 119 HB3 GLN 15 2HB GLN 15 0.450 3.222 2.471 120 HG2 GLN 15 1HG GLN 15 1.574 3.654 4.703 121 HG3 GLN 15 2HG GLN 15 2.985 2.799 4.077 122 HE21 GLN 15 2HE2 GLN 15 2.945 5.638 4.806 123 HE22 GLN 15 1HE2 GLN 15 3.263 6.516 3.389 124 H ALA 16 H ALA 16 0.268 -0.877 2.564 125 HA ALA 16 HA ALA 16 -1.864 -0.207 0.776 126 HB1 ALA 16 3HB ALA 16 -1.908 -2.524 0.241 127 HB2 ALA 16 1HB ALA 16 -1.204 -2.966 1.799 128 HB3 ALA 16 2HB ALA 16 -0.226 -2.125 0.594 129 H THR 17 H THR 17 -1.874 -0.648 4.122 130 HA THR 17 HA THR 17 -4.489 -1.875 4.400 131 HB THR 17 HB THR 17 -4.359 -1.136 6.726 132 HG1 THR 17 HG1 THR 17 -3.553 0.829 6.786 133 HG21 THR 17 3HG2 THR 17 -2.879 -3.027 5.852 134 HG22 THR 17 1HG2 THR 17 -2.375 -2.290 7.373 135 HG23 THR 17 2HG2 THR 17 -1.553 -1.864 5.872 136 H SER 18 H SER 18 -3.358 1.167 3.441 137 HA SER 18 HA SER 18 -5.804 2.620 4.127 138 HB2 SER 18 1HB SER 18 -3.097 3.329 3.173 139 HB3 SER 18 2HB SER 18 -4.407 4.407 2.720 140 HG SER 18 HG SER 18 -4.652 3.699 5.293 141 H ILE 19 H ILE 19 -3.855 2.053 1.183 142 HA ILE 19 HA ILE 19 -5.471 2.932 -0.822 143 HB ILE 19 HB ILE 19 -3.885 0.373 -0.613 144 HG12 ILE 19 1HG1 ILE 19 -3.322 3.028 -1.971 145 HG13 ILE 19 2HG1 ILE 19 -2.735 2.596 -0.365 146 HG21 ILE 19 1HG2 ILE 19 -3.922 0.543 -3.159 147 HG22 ILE 19 2HG2 ILE 19 -5.260 1.671 -2.964 148 HG23 ILE 19 3HG2 ILE 19 -5.416 0.010 -2.400 149 HD11 ILE 19 3HD1 ILE 19 -0.989 2.118 -1.963 150 HD12 ILE 19 1HD1 ILE 19 -2.107 1.200 -2.967 151 HD13 ILE 19 2HD1 ILE 19 -1.639 0.586 -1.386 152 H GLU 20 H GLU 20 -6.024 0.250 1.302 153 HA GLU 20 HA GLU 20 -8.216 -0.922 -0.239 154 HB2 GLU 20 1HB GLU 20 -7.116 -1.278 2.543 155 HB3 GLU 20 2HB GLU 20 -8.708 -1.932 2.165 156 HG2 GLU 20 1HG GLU 20 -6.368 -2.504 0.348 157 HG3 GLU 20 2HG GLU 20 -6.598 -3.449 1.817 158 H ARG 21 H ARG 21 -7.929 1.076 2.664 159 HA ARG 21 HA ARG 21 -10.661 1.611 3.125 160 HB2 ARG 21 1HB ARG 21 -8.026 2.829 3.793 161 HB3 ARG 21 2HB ARG 21 -9.399 3.934 3.909 162 HG2 ARG 21 1HG ARG 21 -9.272 1.210 5.245 163 HG3 ARG 21 2HG ARG 21 -8.887 2.727 6.053 164 HD2 ARG 21 1HD ARG 21 -11.357 3.331 5.004 165 HD3 ARG 21 2HD ARG 21 -11.540 1.608 5.328 166 HE ARG 21 HE ARG 21 -11.605 2.151 7.612 167 HH11 ARG 21 1HH2 ARG 21 -9.957 4.558 5.776 168 HH12 ARG 21 2HH2 ARG 21 -9.714 5.614 7.127 169 HH21 ARG 21 1HH1 ARG 21 -11.297 3.517 9.391 170 HH22 ARG 21 2HH1 ARG 21 -10.470 5.023 9.175 171 H LEU 22 H LEU 22 -8.391 2.977 0.800 172 HA LEU 22 HA LEU 22 -9.948 5.197 0.012 173 HB2 LEU 22 1HB LEU 22 -7.585 3.731 -0.914 174 HB3 LEU 22 2HB LEU 22 -8.351 4.730 -2.107 175 HG LEU 22 HG LEU 22 -8.196 6.606 -0.618 176 HD11 LEU 22 1HD1 LEU 22 -7.057 4.600 1.247 177 HD12 LEU 22 2HD1 LEU 22 -8.334 5.777 1.536 178 HD13 LEU 22 3HD1 LEU 22 -6.658 6.304 1.420 179 HD21 LEU 22 3HD2 LEU 22 -5.842 7.004 -0.824 180 HD22 LEU 22 1HD2 LEU 22 -6.325 5.990 -2.183 181 HD23 LEU 22 2HD2 LEU 22 -5.513 5.274 -0.792 182 H CYS 23 H CYS 23 -9.182 2.349 -1.937 183 HA CYS 23 HA CYS 23 -11.256 2.755 -3.823 184 HB2 CYS 23 1HB CYS 23 -11.100 0.162 -4.121 185 HB3 CYS 23 2HB CYS 23 -9.695 1.151 -4.506 186 H GLN 24 H GLN 24 -11.335 0.484 -1.044 187 HA GLN 24 HA GLN 24 -13.978 -0.353 -1.230 188 HB2 GLN 24 1HB GLN 24 -12.398 0.364 1.254 189 HB3 GLN 24 2HB GLN 24 -13.945 -0.480 1.292 190 HG2 GLN 24 1HG GLN 24 -12.905 -2.196 -0.285 191 HG3 GLN 24 2HG GLN 24 -11.352 -1.429 0.051 192 HE21 GLN 24 2HE2 GLN 24 -11.769 -4.123 0.826 193 HE22 GLN 24 1HE2 GLN 24 -11.850 -4.207 2.519 194 H HIS 25 H HIS 25 -12.796 2.788 -0.128 195 HA HIS 25 HA HIS 25 -15.559 3.647 0.539 196 HB2 HIS 25 1HB HIS 25 -13.559 4.207 2.005 197 HB3 HIS 25 2HB HIS 25 -13.019 5.281 0.715 198 HD1 HIS 25 HD1 HIS 25 -14.927 7.122 -0.052 199 HD2 HIS 25 HD2 HIS 25 -15.379 5.396 3.719 200 HE1 HIS 25 HE1 HIS 25 -16.513 8.620 1.238 201 HE2 HIS 25 HE2 HIS 25 -16.795 7.579 3.534 202 H TYR 26 H TYR 26 -12.864 5.163 -1.277 203 HA TYR 26 HA TYR 26 -14.602 6.854 -2.793 204 HB2 TYR 26 1HB TYR 26 -11.759 5.963 -3.316 205 HB3 TYR 26 2HB TYR 26 -12.561 7.259 -4.186 206 HD1 TYR 26 HD1 TYR 26 -13.853 8.973 -2.384 207 HD2 TYR 26 HD2 TYR 26 -10.301 6.665 -1.649 208 HE1 TYR 26 HE1 TYR 26 -13.222 10.515 -0.552 209 HE2 TYR 26 HE2 TYR 26 -9.677 8.202 0.191 210 HH TYR 26 HH TYR 26 -10.105 10.390 0.973 211 H ILE 27 H ILE 27 -12.485 4.342 -4.209 212 HA ILE 27 HA ILE 27 -14.460 4.026 -6.391 213 HB ILE 27 HB ILE 27 -11.729 2.754 -6.100 214 HG12 ILE 27 1HG1 ILE 27 -11.405 4.752 -7.935 215 HG13 ILE 27 2HG1 ILE 27 -12.588 5.517 -6.898 216 HG21 ILE 27 1HG2 ILE 27 -11.915 2.488 -8.538 217 HG22 ILE 27 2HG2 ILE 27 -13.508 3.246 -8.507 218 HG23 ILE 27 3HG2 ILE 27 -13.258 1.686 -7.722 219 HD11 ILE 27 3HD1 ILE 27 -9.767 4.715 -6.328 220 HD12 ILE 27 1HD1 ILE 27 -10.920 4.660 -5.004 221 HD13 ILE 27 2HD1 ILE 27 -10.639 6.171 -5.852 222 H GLY 28 H GLY 28 -12.407 1.453 -5.042 223 HA2 GLY 28 1HA GLY 28 -13.630 -0.257 -3.538 224 HA3 GLY 28 2HA GLY 28 -14.871 -0.249 -4.786 225 H TRP 29 H TRP 29 -11.995 0.199 -6.350 226 HA TRP 29 HA TRP 29 -11.922 -2.653 -7.163 227 HB2 TRP 29 1HB TRP 29 -11.648 -0.208 -8.542 228 HB3 TRP 29 2HB TRP 29 -10.011 -0.858 -8.518 229 HD1 TRP 29 HD1 TRP 29 -10.259 -3.809 -9.069 230 HE1 TRP 29 HE1 TRP 29 -11.397 -4.742 -11.195 231 HE3 TRP 29 HE3 TRP 29 -13.102 0.200 -10.359 232 HZ2 TRP 29 HZ2 TRP 29 -13.263 -3.889 -13.170 233 HZ3 TRP 29 HZ3 TRP 29 -14.542 0.133 -12.346 234 HH2 TRP 29 HH2 TRP 29 -14.641 -1.903 -13.772 235 H CYS 30 H CYS 30 -10.783 -3.754 -5.573 236 HA CYS 30 HA CYS 30 -7.888 -3.211 -5.428 237 HB2 CYS 30 1HB CYS 30 -9.771 -2.851 -3.115 238 HB3 CYS 30 2HB CYS 30 -8.149 -3.463 -2.804 239 HA PRO 31 HA PRO 31 -9.046 -7.677 -5.163 240 HB2 PRO 31 1HB PRO 31 -8.042 -8.536 -7.498 241 HB3 PRO 31 2HB PRO 31 -9.572 -7.636 -7.442 242 HG2 PRO 31 1HG PRO 31 -6.847 -6.684 -8.207 243 HG3 PRO 31 2HG PRO 31 -8.420 -6.285 -8.921 244 HD2 PRO 31 1HD PRO 31 -7.045 -4.696 -7.041 245 HD3 PRO 31 2HD PRO 31 -8.771 -4.552 -7.436 246 H PHE 32 H PHE 32 -5.992 -6.095 -5.903 247 HA PHE 32 HA PHE 32 -4.222 -8.283 -5.661 248 HB2 PHE 32 1HB PHE 32 -3.430 -6.084 -6.360 249 HB3 PHE 32 2HB PHE 32 -3.841 -5.404 -4.787 250 HD1 PHE 32 HD2 PHE 32 -1.724 -8.010 -6.427 251 HD2 PHE 32 HD1 PHE 32 -2.289 -5.478 -3.002 252 HE1 PHE 32 HE2 PHE 32 0.498 -8.688 -5.558 253 HE2 PHE 32 HE1 PHE 32 -0.067 -6.156 -2.134 254 HZ PHE 32 HZ PHE 32 1.326 -7.761 -3.412 255 H TRP 33 H TRP 33 -6.426 -7.245 -3.384 256 HA TRP 33 HA TRP 33 -4.747 -8.027 -1.055 257 HB2 TRP 33 1HB TRP 33 -7.420 -6.691 -1.293 258 HB3 TRP 33 2HB TRP 33 -6.757 -7.224 0.232 259 HD1 TRP 33 HD1 TRP 33 -5.110 -5.689 1.384 260 HE1 TRP 33 HE1 TRP 33 -3.906 -3.486 0.766 261 HE3 TRP 33 HE3 TRP 33 -6.404 -5.341 -3.526 262 HZ2 TRP 33 HZ2 TRP 33 -3.554 -1.811 -1.503 263 HZ3 TRP 33 HZ3 TRP 33 -5.630 -3.428 -4.899 264 HH2 TRP 33 HH2 TRP 33 -4.205 -1.663 -3.898 Start of MODEL 12 1 H1 ASN 1 1H ASN 1 17.407 -4.828 7.325 2 H2 ASN 1 2H ASN 1 16.874 -3.213 7.339 3 H3 ASN 1 3H ASN 1 17.963 -3.741 6.146 4 HA ASN 1 HA ASN 1 15.218 -3.649 5.953 5 HB2 ASN 1 1HB ASN 1 17.073 -5.315 4.239 6 HB3 ASN 1 2HB ASN 1 15.618 -4.451 3.740 7 HD21 ASN 1 2HD2 ASN 1 16.371 -2.792 2.389 8 HD22 ASN 1 1HD2 ASN 1 17.613 -1.710 2.798 9 H GLU 2 H GLU 2 15.115 -6.253 4.367 10 HA GLU 2 HA GLU 2 15.090 -8.320 6.457 11 HB2 GLU 2 1HB GLU 2 12.829 -6.818 6.325 12 HB3 GLU 2 2HB GLU 2 12.445 -7.997 5.075 13 HG2 GLU 2 1HG GLU 2 12.803 -9.834 6.661 14 HG3 GLU 2 2HG GLU 2 13.290 -8.690 7.910 15 H LEU 3 H LEU 3 13.521 -10.202 5.091 16 HA LEU 3 HA LEU 3 15.318 -10.902 2.923 17 HB2 LEU 3 1HB LEU 3 12.912 -12.148 4.200 18 HB3 LEU 3 2HB LEU 3 13.481 -12.781 2.655 19 HG LEU 3 HG LEU 3 15.478 -12.361 4.880 20 HD11 LEU 3 1HD1 LEU 3 15.023 -14.756 5.547 21 HD12 LEU 3 2HD1 LEU 3 13.516 -14.641 4.638 22 HD13 LEU 3 3HD1 LEU 3 13.788 -13.592 6.028 23 HD21 LEU 3 3HD2 LEU 3 16.698 -14.065 3.742 24 HD22 LEU 3 1HD2 LEU 3 16.032 -13.058 2.457 25 HD23 LEU 3 2HD2 LEU 3 15.273 -14.599 2.850 26 H ASP 4 H ASP 4 13.370 -8.541 2.906 27 HA ASP 4 HA ASP 4 12.049 -9.091 0.270 28 HB2 ASP 4 1HB ASP 4 10.450 -7.352 0.864 29 HB3 ASP 4 2HB ASP 4 10.523 -8.529 2.173 30 H VAL 5 H VAL 5 13.393 -8.280 -1.305 31 HA VAL 5 HA VAL 5 15.220 -6.121 -0.788 32 HB VAL 5 HB VAL 5 14.412 -6.935 -3.573 33 HG11 VAL 5 1HG1 VAL 5 17.116 -6.370 -2.333 34 HG12 VAL 5 2HG1 VAL 5 16.126 -5.145 -3.127 35 HG13 VAL 5 3HG1 VAL 5 16.743 -6.515 -4.051 36 HG21 VAL 5 3HG2 VAL 5 16.110 -8.806 -3.308 37 HG22 VAL 5 1HG2 VAL 5 14.582 -9.060 -2.463 38 HG23 VAL 5 2HG2 VAL 5 16.010 -8.541 -1.567 39 HA PRO 6 HA PRO 6 11.838 -3.711 -3.435 40 HB2 PRO 6 1HB PRO 6 9.440 -4.932 -2.140 41 HB3 PRO 6 2HB PRO 6 9.690 -4.445 -3.824 42 HG2 PRO 6 1HG PRO 6 9.674 -7.002 -3.155 43 HG3 PRO 6 2HG PRO 6 10.839 -6.390 -4.348 44 HD2 PRO 6 1HD PRO 6 11.281 -7.024 -1.444 45 HD3 PRO 6 2HD PRO 6 12.310 -7.397 -2.841 46 H GLU 7 H GLU 7 12.541 -2.012 -2.142 47 HA GLU 7 HA GLU 7 11.384 -1.671 0.557 48 HB2 GLU 7 1HB GLU 7 13.577 -0.208 -0.926 49 HB3 GLU 7 2HB GLU 7 12.960 0.310 0.644 50 HG2 GLU 7 1HG GLU 7 13.517 -1.947 1.561 51 HG3 GLU 7 2HG GLU 7 14.246 -2.362 0.008 52 H GLN 8 H GLN 8 11.944 0.506 -2.254 53 HA GLN 8 HA GLN 8 10.018 2.417 -1.463 54 HB2 GLN 8 1HB GLN 8 10.707 1.635 -4.313 55 HB3 GLN 8 2HB GLN 8 9.950 3.148 -3.801 56 HG2 GLN 8 1HG GLN 8 12.002 3.539 -2.345 57 HG3 GLN 8 2HG GLN 8 12.754 2.183 -3.185 58 HE21 GLN 8 2HE2 GLN 8 11.216 2.968 -5.726 59 HE22 GLN 8 1HE2 GLN 8 12.087 4.285 -6.348 60 H VAL 9 H VAL 9 9.589 -0.759 -2.298 61 HA VAL 9 HA VAL 9 6.879 -0.469 -3.397 62 HB VAL 9 HB VAL 9 8.541 -2.856 -2.536 63 HG11 VAL 9 1HG1 VAL 9 6.667 -4.147 -3.747 64 HG12 VAL 9 2HG1 VAL 9 5.706 -2.679 -3.556 65 HG13 VAL 9 3HG1 VAL 9 6.312 -3.529 -2.131 66 HG21 VAL 9 3HG2 VAL 9 7.925 -1.553 -5.177 67 HG22 VAL 9 1HG2 VAL 9 8.157 -3.302 -5.131 68 HG23 VAL 9 2HG2 VAL 9 9.444 -2.230 -4.586 69 H ASP 10 H ASP 10 8.185 -2.356 -0.714 70 HA ASP 10 HA ASP 10 5.905 -2.638 0.835 71 HB2 ASP 10 1HB ASP 10 7.962 -3.752 1.436 72 HB3 ASP 10 2HB ASP 10 8.788 -2.212 1.693 73 H LYS 11 H LYS 11 7.940 0.241 0.498 74 HA LYS 11 HA LYS 11 6.672 1.654 2.673 75 HB2 LYS 11 1HB LYS 11 8.814 2.437 2.166 76 HB3 LYS 11 2HB LYS 11 8.563 2.293 0.427 77 HG2 LYS 11 1HG LYS 11 7.433 4.290 0.279 78 HG3 LYS 11 2HG LYS 11 6.823 4.209 1.923 79 HD2 LYS 11 1HD LYS 11 8.889 4.881 2.852 80 HD3 LYS 11 2HD LYS 11 9.755 4.599 1.342 81 HE2 LYS 11 1HE LYS 11 7.671 6.747 1.833 82 HE3 LYS 11 2HE LYS 11 9.406 7.004 1.647 83 HZ1 LYS 11 3HZ LYS 11 7.390 6.543 -0.358 84 HZ2 LYS 11 1HZ LYS 11 8.775 5.584 -0.558 85 HZ3 LYS 11 2HZ LYS 11 8.916 7.277 -0.499 86 H LEU 12 H LEU 12 6.466 1.650 -0.881 87 HA LEU 12 HA LEU 12 4.305 3.456 -1.174 88 HB2 LEU 12 1HB LEU 12 5.519 1.239 -2.716 89 HB3 LEU 12 2HB LEU 12 3.944 1.755 -3.248 90 HG LEU 12 HG LEU 12 6.112 2.829 -4.274 91 HD11 LEU 12 1HD1 LEU 12 3.719 4.445 -3.368 92 HD12 LEU 12 2HD1 LEU 12 3.885 3.553 -4.880 93 HD13 LEU 12 3HD1 LEU 12 4.872 4.984 -4.588 94 HD21 LEU 12 3HD2 LEU 12 5.807 4.915 -2.141 95 HD22 LEU 12 1HD2 LEU 12 7.187 4.541 -3.170 96 HD23 LEU 12 2HD2 LEU 12 6.812 3.516 -1.800 97 H ILE 13 H ILE 13 4.281 -0.118 -1.065 98 HA ILE 13 HA ILE 13 1.524 -0.531 -0.960 99 HB ILE 13 HB ILE 13 3.685 -1.978 0.582 100 HG12 ILE 13 1HG1 ILE 13 2.603 -2.178 -2.236 101 HG13 ILE 13 2HG1 ILE 13 4.268 -1.978 -1.733 102 HG21 ILE 13 1HG2 ILE 13 0.964 -2.958 -0.325 103 HG22 ILE 13 2HG2 ILE 13 1.320 -2.436 1.318 104 HG23 ILE 13 3HG2 ILE 13 2.137 -3.842 0.654 105 HD11 ILE 13 3HD1 ILE 13 4.087 -4.248 -2.367 106 HD12 ILE 13 1HD1 ILE 13 2.555 -4.438 -1.516 107 HD13 ILE 13 2HD1 ILE 13 4.053 -4.253 -0.604 108 H GLN 14 H GLN 14 3.735 -0.098 1.791 109 HA GLN 14 HA GLN 14 1.879 0.021 3.879 110 HB2 GLN 14 1HB GLN 14 4.540 1.234 3.362 111 HB3 GLN 14 2HB GLN 14 3.668 1.820 4.751 112 HG2 GLN 14 1HG GLN 14 3.632 -0.323 5.774 113 HG3 GLN 14 2HG GLN 14 4.066 -1.133 4.269 114 HE21 GLN 14 2HE2 GLN 14 5.882 1.718 4.562 115 HE22 GLN 14 1HE2 GLN 14 7.297 1.044 5.212 116 H GLN 15 H GLN 15 2.940 2.567 1.666 117 HA GLN 15 HA GLN 15 1.177 4.560 2.808 118 HB2 GLN 15 1HB GLN 15 3.054 4.359 0.519 119 HB3 GLN 15 2HB GLN 15 1.850 5.626 0.428 120 HG2 GLN 15 1HG GLN 15 2.596 6.417 2.681 121 HG3 GLN 15 2HG GLN 15 3.860 5.187 2.653 122 HE21 GLN 15 2HE2 GLN 15 2.660 7.444 0.101 123 HE22 GLN 15 1HE2 GLN 15 4.187 8.104 -0.237 124 H ALA 16 H ALA 16 0.700 1.865 0.906 125 HA ALA 16 HA ALA 16 -1.542 3.001 -0.667 126 HB1 ALA 16 3HB ALA 16 -1.495 0.997 -1.920 127 HB2 ALA 16 1HB ALA 16 -0.676 0.108 -0.633 128 HB3 ALA 16 2HB ALA 16 0.204 1.318 -1.571 129 H THR 17 H THR 17 -0.931 0.551 1.789 130 HA THR 17 HA THR 17 -3.248 -0.762 2.193 131 HB THR 17 HB THR 17 -2.826 -0.439 4.711 132 HG1 THR 17 HG1 THR 17 -0.371 0.606 4.104 133 HG21 THR 17 3HG2 THR 17 -1.899 -2.307 3.397 134 HG22 THR 17 1HG2 THR 17 -0.743 -1.748 4.606 135 HG23 THR 17 2HG2 THR 17 -0.542 -1.290 2.915 136 H SER 18 H SER 18 -2.888 2.689 2.759 137 HA SER 18 HA SER 18 -5.567 2.883 3.972 138 HB2 SER 18 1HB SER 18 -3.269 4.697 3.545 139 HB3 SER 18 2HB SER 18 -4.857 5.442 3.638 140 HG SER 18 HG SER 18 -3.319 4.471 5.602 141 H ILE 19 H ILE 19 -4.067 4.764 1.346 142 HA ILE 19 HA ILE 19 -6.357 5.609 0.058 143 HB ILE 19 HB ILE 19 -3.667 4.793 -1.042 144 HG12 ILE 19 1HG1 ILE 19 -4.855 7.523 -0.486 145 HG13 ILE 19 2HG1 ILE 19 -3.868 6.645 0.685 146 HG21 ILE 19 1HG2 ILE 19 -5.197 4.781 -2.882 147 HG22 ILE 19 2HG2 ILE 19 -4.347 6.322 -2.938 148 HG23 ILE 19 3HG2 ILE 19 -5.990 6.243 -2.307 149 HD11 ILE 19 3HD1 ILE 19 -2.497 8.213 -0.625 150 HD12 ILE 19 1HD1 ILE 19 -3.016 7.418 -2.110 151 HD13 ILE 19 2HD1 ILE 19 -2.030 6.542 -0.942 152 H GLU 20 H GLU 20 -4.850 2.449 0.046 153 HA GLU 20 HA GLU 20 -6.472 1.446 -2.173 154 HB2 GLU 20 1HB GLU 20 -4.667 0.127 -0.149 155 HB3 GLU 20 2HB GLU 20 -5.746 -0.851 -1.135 156 HG2 GLU 20 1HG GLU 20 -3.893 1.193 -2.369 157 HG3 GLU 20 2HG GLU 20 -3.381 -0.467 -2.067 158 H ARG 21 H ARG 21 -6.456 0.973 1.357 159 HA ARG 21 HA ARG 21 -8.836 -0.480 1.637 160 HB2 ARG 21 1HB ARG 21 -7.426 1.580 3.329 161 HB3 ARG 21 2HB ARG 21 -9.006 0.982 3.847 162 HG2 ARG 21 1HG ARG 21 -6.843 -0.971 3.058 163 HG3 ARG 21 2HG ARG 21 -6.829 -0.247 4.664 164 HD2 ARG 21 1HD ARG 21 -9.411 -1.427 3.694 165 HD3 ARG 21 2HD ARG 21 -8.133 -2.529 4.200 166 HE ARG 21 HE ARG 21 -9.629 -0.698 5.947 167 HH11 ARG 21 1HH2 ARG 21 -6.850 -2.688 5.441 168 HH12 ARG 21 2HH2 ARG 21 -6.524 -2.884 7.130 169 HH21 ARG 21 1HH1 ARG 21 -9.207 -0.944 8.150 170 HH22 ARG 21 2HH1 ARG 21 -7.854 -1.896 8.661 171 H LEU 22 H LEU 22 -8.333 2.926 0.941 172 HA LEU 22 HA LEU 22 -10.983 3.807 1.325 173 HB2 LEU 22 1HB LEU 22 -8.498 4.784 0.125 174 HB3 LEU 22 2HB LEU 22 -9.933 5.571 -0.450 175 HG LEU 22 HG LEU 22 -10.539 5.995 1.878 176 HD11 LEU 22 1HD1 LEU 22 -9.093 5.675 3.684 177 HD12 LEU 22 2HD1 LEU 22 -7.767 5.210 2.615 178 HD13 LEU 22 3HD1 LEU 22 -9.153 4.144 2.827 179 HD21 LEU 22 3HD2 LEU 22 -9.035 7.848 2.195 180 HD22 LEU 22 1HD2 LEU 22 -9.346 7.647 0.473 181 HD23 LEU 22 2HD2 LEU 22 -7.833 7.066 1.167 182 H CYS 23 H CYS 23 -9.254 3.505 -1.735 183 HA CYS 23 HA CYS 23 -11.597 3.516 -3.366 184 HB2 CYS 23 1HB CYS 23 -10.168 2.759 -5.173 185 HB3 CYS 23 2HB CYS 23 -9.263 3.914 -4.195 186 H GLN 24 H GLN 24 -10.298 1.054 -1.368 187 HA GLN 24 HA GLN 24 -11.662 -1.126 -2.853 188 HB2 GLN 24 1HB GLN 24 -9.899 -1.072 -0.392 189 HB3 GLN 24 2HB GLN 24 -10.723 -2.529 -0.944 190 HG2 GLN 24 1HG GLN 24 -9.614 -2.267 -3.168 191 HG3 GLN 24 2HG GLN 24 -8.715 -0.893 -2.526 192 HE21 GLN 24 2HE2 GLN 24 -6.963 -2.700 -3.269 193 HE22 GLN 24 1HE2 GLN 24 -6.419 -3.694 -2.007 194 H HIS 25 H HIS 25 -11.996 0.821 0.063 195 HA HIS 25 HA HIS 25 -14.331 -0.783 0.961 196 HB2 HIS 25 1HB HIS 25 -12.549 0.043 2.563 197 HB3 HIS 25 2HB HIS 25 -13.140 1.678 2.260 198 HD1 HIS 25 HD1 HIS 25 -13.531 1.041 5.059 199 HD2 HIS 25 HD2 HIS 25 -16.260 -0.344 2.225 200 HE1 HIS 25 HE1 HIS 25 -15.671 0.527 6.316 201 HE2 HIS 25 HE2 HIS 25 -17.339 -0.314 4.600 202 H TYR 26 H TYR 26 -13.645 2.700 0.387 203 HA TYR 26 HA TYR 26 -16.381 3.476 0.450 204 HB2 TYR 26 1HB TYR 26 -13.913 4.739 -0.733 205 HB3 TYR 26 2HB TYR 26 -15.486 5.518 -0.843 206 HD1 TYR 26 HD2 TYR 26 -16.832 5.482 1.542 207 HD2 TYR 26 HD1 TYR 26 -12.572 5.339 1.065 208 HE1 TYR 26 HE2 TYR 26 -16.537 6.298 3.866 209 HE2 TYR 26 HE1 TYR 26 -12.263 6.136 3.392 210 HH TYR 26 HH TYR 26 -13.291 6.667 5.292 211 H ILE 27 H ILE 27 -14.276 3.104 -2.460 212 HA ILE 27 HA ILE 27 -16.766 2.930 -4.099 213 HB ILE 27 HB ILE 27 -13.913 3.144 -5.080 214 HG12 ILE 27 1HG1 ILE 27 -14.992 5.648 -5.433 215 HG13 ILE 27 2HG1 ILE 27 -15.768 5.194 -3.927 216 HG21 ILE 27 1HG2 ILE 27 -15.061 4.001 -7.114 217 HG22 ILE 27 2HG2 ILE 27 -16.616 3.692 -6.342 218 HG23 ILE 27 3HG2 ILE 27 -15.538 2.348 -6.722 219 HD11 ILE 27 3HD1 ILE 27 -13.671 6.345 -3.464 220 HD12 ILE 27 1HD1 ILE 27 -12.791 5.198 -4.474 221 HD13 ILE 27 2HD1 ILE 27 -13.545 4.659 -2.980 222 H GLY 28 H GLY 28 -13.617 1.401 -4.775 223 HA2 GLY 28 1HA GLY 28 -13.525 -1.130 -4.255 224 HA3 GLY 28 2HA GLY 28 -15.068 -1.207 -5.099 225 H TRP 29 H TRP 29 -12.221 0.747 -5.974 226 HA TRP 29 HA TRP 29 -11.452 -1.052 -8.136 227 HB2 TRP 29 1HB TRP 29 -13.602 0.313 -8.866 228 HB3 TRP 29 2HB TRP 29 -12.456 1.635 -9.081 229 HD1 TRP 29 HD1 TRP 29 -10.006 0.105 -10.297 230 HE1 TRP 29 HE1 TRP 29 -10.181 -0.962 -12.644 231 HE3 TRP 29 HE3 TRP 29 -15.052 -0.291 -10.686 232 HZ2 TRP 29 HZ2 TRP 29 -12.203 -1.861 -14.435 233 HZ3 TRP 29 HZ3 TRP 29 -16.087 -1.247 -12.698 234 HH2 TRP 29 HH2 TRP 29 -14.682 -2.041 -14.591 235 H CYS 30 H CYS 30 -9.273 -0.778 -8.307 236 HA CYS 30 HA CYS 30 -8.123 1.955 -8.021 237 HB2 CYS 30 1HB CYS 30 -6.743 -0.262 -6.543 238 HB3 CYS 30 2HB CYS 30 -6.803 1.462 -6.182 239 HA PRO 31 HA PRO 31 -5.975 -0.433 -11.317 240 HB2 PRO 31 1HB PRO 31 -5.921 1.462 -13.231 241 HB3 PRO 31 2HB PRO 31 -7.411 0.569 -12.858 242 HG2 PRO 31 1HG PRO 31 -6.614 3.331 -12.059 243 HG3 PRO 31 2HG PRO 31 -8.202 2.715 -12.548 244 HD2 PRO 31 1HD PRO 31 -7.379 3.105 -9.893 245 HD3 PRO 31 2HD PRO 31 -8.736 2.073 -10.395 246 H PHE 32 H PHE 32 -5.218 2.759 -10.023 247 HA PHE 32 HA PHE 32 -2.596 3.007 -11.139 248 HB2 PHE 32 1HB PHE 32 -4.060 4.210 -8.816 249 HB3 PHE 32 2HB PHE 32 -2.306 4.376 -8.828 250 HD1 PHE 32 HD2 PHE 32 -1.260 5.155 -11.125 251 HD2 PHE 32 HD1 PHE 32 -5.351 5.794 -9.977 252 HE1 PHE 32 HE2 PHE 32 -1.430 7.010 -12.762 253 HE2 PHE 32 HE1 PHE 32 -5.519 7.649 -11.615 254 HZ PHE 32 HZ PHE 32 -3.559 8.257 -13.006 255 H TRP 33 H TRP 33 -3.746 0.591 -9.225 256 HA TRP 33 HA TRP 33 -1.094 0.110 -7.920 257 HB2 TRP 33 1HB TRP 33 -3.881 -0.646 -7.116 258 HB3 TRP 33 2HB TRP 33 -2.481 -1.430 -6.437 259 HD1 TRP 33 HD1 TRP 33 -1.137 -0.168 -4.670 260 HE1 TRP 33 HE1 TRP 33 -1.408 2.111 -3.474 261 HE3 TRP 33 HE3 TRP 33 -4.819 1.872 -7.527 262 HZ2 TRP 33 HZ2 TRP 33 -2.982 4.465 -3.710 263 HZ3 TRP 33 HZ3 TRP 33 -5.698 4.131 -7.025 264 HH2 TRP 33 HH2 TRP 33 -4.786 5.435 -5.120 Start of MODEL 13 1 H1 ASN 1 1H ASN 1 18.546 -9.875 5.828 2 H2 ASN 1 2H ASN 1 18.290 -9.521 7.470 3 H3 ASN 1 3H ASN 1 17.421 -8.685 6.273 4 HA ASN 1 HA ASN 1 17.189 -11.605 6.375 5 HB2 ASN 1 1HB ASN 1 16.928 -10.739 8.731 6 HB3 ASN 1 2HB ASN 1 15.596 -9.737 8.153 7 HD21 ASN 1 2HD2 ASN 1 13.612 -10.718 8.530 8 HD22 ASN 1 1HD2 ASN 1 13.319 -12.389 8.474 9 H GLU 2 H GLU 2 15.879 -8.353 5.857 10 HA GLU 2 HA GLU 2 13.534 -9.357 4.428 11 HB2 GLU 2 1HB GLU 2 13.608 -6.749 3.694 12 HB3 GLU 2 2HB GLU 2 13.000 -7.267 5.265 13 HG2 GLU 2 1HG GLU 2 14.670 -5.385 5.373 14 HG3 GLU 2 2HG GLU 2 15.112 -6.799 6.326 15 H LEU 3 H LEU 3 14.496 -10.690 2.804 16 HA LEU 3 HA LEU 3 16.499 -9.745 0.980 17 HB2 LEU 3 1HB LEU 3 15.361 -12.177 1.504 18 HB3 LEU 3 2HB LEU 3 14.570 -11.786 -0.019 19 HG LEU 3 HG LEU 3 17.575 -11.710 0.423 20 HD11 LEU 3 1HD1 LEU 3 17.631 -13.787 -0.838 21 HD12 LEU 3 2HD1 LEU 3 15.877 -13.763 -1.006 22 HD13 LEU 3 3HD1 LEU 3 16.607 -13.986 0.582 23 HD21 LEU 3 3HD2 LEU 3 17.481 -11.742 -2.146 24 HD22 LEU 3 1HD2 LEU 3 17.008 -10.235 -1.364 25 HD23 LEU 3 2HD2 LEU 3 15.773 -11.335 -1.980 26 H ASP 4 H ASP 4 13.584 -8.450 1.457 27 HA ASP 4 HA ASP 4 12.723 -8.156 -1.342 28 HB2 ASP 4 1HB ASP 4 11.047 -6.546 -0.239 29 HB3 ASP 4 2HB ASP 4 10.928 -8.245 0.218 30 H VAL 5 H VAL 5 14.169 -6.903 -2.488 31 HA VAL 5 HA VAL 5 15.515 -4.639 -1.314 32 HB VAL 5 HB VAL 5 15.267 -5.074 -4.285 33 HG11 VAL 5 1HG1 VAL 5 16.523 -3.121 -3.478 34 HG12 VAL 5 2HG1 VAL 5 17.613 -4.293 -4.221 35 HG13 VAL 5 3HG1 VAL 5 17.517 -4.169 -2.465 36 HG21 VAL 5 3HG2 VAL 5 15.699 -7.292 -3.515 37 HG22 VAL 5 1HG2 VAL 5 16.802 -6.721 -2.263 38 HG23 VAL 5 2HG2 VAL 5 17.276 -6.636 -3.959 39 HA PRO 6 HA PRO 6 12.099 -2.449 -4.270 40 HB2 PRO 6 1HB PRO 6 9.988 -4.136 -2.959 41 HB3 PRO 6 2HB PRO 6 9.973 -3.348 -4.554 42 HG2 PRO 6 1HG PRO 6 10.444 -5.898 -4.431 43 HG3 PRO 6 2HG PRO 6 11.499 -4.886 -5.439 44 HD2 PRO 6 1HD PRO 6 12.023 -6.013 -2.710 45 HD3 PRO 6 2HD PRO 6 13.126 -5.906 -4.101 46 H GLU 7 H GLU 7 12.228 -0.546 -3.204 47 HA GLU 7 HA GLU 7 11.568 -0.386 -0.339 48 HB2 GLU 7 1HB GLU 7 13.652 0.659 -1.183 49 HB3 GLU 7 2HB GLU 7 12.680 1.733 -2.188 50 HG2 GLU 7 1HG GLU 7 11.599 2.663 -0.192 51 HG3 GLU 7 2HG GLU 7 12.507 1.551 0.834 52 H GLN 8 H GLN 8 10.824 1.817 -3.106 53 HA GLN 8 HA GLN 8 8.620 3.055 -1.878 54 HB2 GLN 8 1HB GLN 8 9.001 2.379 -4.808 55 HB3 GLN 8 2HB GLN 8 7.709 3.422 -4.199 56 HG2 GLN 8 1HG GLN 8 10.622 3.951 -3.571 57 HG3 GLN 8 2HG GLN 8 9.849 4.597 -5.019 58 HE21 GLN 8 2HE2 GLN 8 10.543 6.667 -3.604 59 HE22 GLN 8 1HE2 GLN 8 9.320 7.275 -2.596 60 H VAL 9 H VAL 9 8.996 -0.139 -2.743 61 HA VAL 9 HA VAL 9 6.183 -0.778 -3.127 62 HB VAL 9 HB VAL 9 8.774 -2.272 -2.887 63 HG11 VAL 9 1HG1 VAL 9 6.018 -3.472 -2.498 64 HG12 VAL 9 2HG1 VAL 9 7.433 -3.651 -1.461 65 HG13 VAL 9 3HG1 VAL 9 7.392 -4.435 -3.040 66 HG21 VAL 9 3HG2 VAL 9 8.248 -1.714 -5.120 67 HG22 VAL 9 1HG2 VAL 9 6.541 -2.106 -4.921 68 HG23 VAL 9 2HG2 VAL 9 7.735 -3.396 -4.982 69 H ASP 10 H ASP 10 8.579 -1.718 -0.662 70 HA ASP 10 HA ASP 10 6.914 -2.612 1.370 71 HB2 ASP 10 1HB ASP 10 9.315 -2.692 1.648 72 HB3 ASP 10 2HB ASP 10 9.444 -0.935 1.546 73 H LYS 11 H LYS 11 7.848 0.764 0.719 74 HA LYS 11 HA LYS 11 6.287 1.928 2.812 75 HB2 LYS 11 1HB LYS 11 7.323 2.939 0.164 76 HB3 LYS 11 2HB LYS 11 6.233 3.944 1.118 77 HG2 LYS 11 1HG LYS 11 8.625 4.427 1.608 78 HG3 LYS 11 2HG LYS 11 7.759 3.840 3.029 79 HD2 LYS 11 1HD LYS 11 8.689 1.637 2.789 80 HD3 LYS 11 2HD LYS 11 9.357 2.029 1.204 81 HE2 LYS 11 1HE LYS 11 11.159 2.146 2.808 82 HE3 LYS 11 2HE LYS 11 10.765 3.795 2.325 83 HZ1 LYS 11 3HZ LYS 11 9.811 4.258 4.327 84 HZ2 LYS 11 1HZ LYS 11 10.992 3.151 4.833 85 HZ3 LYS 11 2HZ LYS 11 9.382 2.644 4.639 86 H LEU 12 H LEU 12 5.527 1.418 -0.638 87 HA LEU 12 HA LEU 12 2.834 2.231 -0.578 88 HB2 LEU 12 1HB LEU 12 4.492 0.402 -2.203 89 HB3 LEU 12 2HB LEU 12 2.770 0.249 -2.412 90 HG LEU 12 HG LEU 12 4.166 1.873 -3.942 91 HD11 LEU 12 1HD1 LEU 12 1.537 2.632 -2.648 92 HD12 LEU 12 2HD1 LEU 12 1.766 1.680 -4.115 93 HD13 LEU 12 3HD1 LEU 12 2.179 3.395 -4.103 94 HD21 LEU 12 3HD2 LEU 12 3.484 3.995 -1.938 95 HD22 LEU 12 1HD2 LEU 12 4.721 3.977 -3.194 96 HD23 LEU 12 2HD2 LEU 12 4.974 3.096 -1.702 97 H ILE 13 H ILE 13 4.220 -1.024 -0.052 98 HA ILE 13 HA ILE 13 1.811 -2.312 0.671 99 HB ILE 13 HB ILE 13 4.612 -2.776 1.706 100 HG12 ILE 13 1HG1 ILE 13 3.087 -3.672 -0.747 101 HG13 ILE 13 2HG1 ILE 13 4.668 -2.932 -0.664 102 HG21 ILE 13 1HG2 ILE 13 2.271 -4.697 1.560 103 HG22 ILE 13 2HG2 ILE 13 2.746 -3.852 3.032 104 HG23 ILE 13 3HG2 ILE 13 3.851 -4.996 2.285 105 HD11 ILE 13 3HD1 ILE 13 5.442 -4.991 0.595 106 HD12 ILE 13 1HD1 ILE 13 5.076 -5.216 -1.114 107 HD13 ILE 13 2HD1 ILE 13 3.919 -5.735 0.110 108 H GLN 14 H GLN 14 4.310 -1.038 2.889 109 HA GLN 14 HA GLN 14 2.873 -1.173 5.265 110 HB2 GLN 14 1HB GLN 14 5.021 0.584 4.226 111 HB3 GLN 14 2HB GLN 14 4.234 1.123 5.688 112 HG2 GLN 14 1HG GLN 14 6.316 -0.346 5.983 113 HG3 GLN 14 2HG GLN 14 4.883 -0.842 6.879 114 HE21 GLN 14 2HE2 GLN 14 6.598 -1.497 3.778 115 HE22 GLN 14 1HE2 GLN 14 6.109 -3.119 3.679 116 H GLN 15 H GLN 15 2.291 0.808 2.546 117 HA GLN 15 HA GLN 15 0.431 2.576 4.018 118 HB2 GLN 15 1HB GLN 15 1.718 2.624 1.335 119 HB3 GLN 15 2HB GLN 15 0.371 3.679 1.681 120 HG2 GLN 15 1HG GLN 15 1.607 4.635 3.588 121 HG3 GLN 15 2HG GLN 15 2.959 3.550 3.253 122 HE21 GLN 15 2HE2 GLN 15 1.167 6.355 1.976 123 HE22 GLN 15 1HE2 GLN 15 2.369 6.831 0.877 124 H ALA 16 H ALA 16 0.541 -0.186 2.003 125 HA ALA 16 HA ALA 16 -1.812 -0.020 0.489 126 HB1 ALA 16 3HB ALA 16 -0.466 -2.375 1.826 127 HB2 ALA 16 1HB ALA 16 -0.391 -1.885 0.138 128 HB3 ALA 16 2HB ALA 16 -1.879 -2.562 0.790 129 H THR 17 H THR 17 -1.586 0.096 3.870 130 HA THR 17 HA THR 17 -4.135 -1.232 4.417 131 HB THR 17 HB THR 17 -3.835 -0.072 6.682 132 HG1 THR 17 HG1 THR 17 -1.272 0.391 6.492 133 HG21 THR 17 3HG2 THR 17 -1.945 -1.563 7.311 134 HG22 THR 17 1HG2 THR 17 -1.626 -1.843 5.600 135 HG23 THR 17 2HG2 THR 17 -3.144 -2.386 6.314 136 H SER 18 H SER 18 -3.091 1.917 3.444 137 HA SER 18 HA SER 18 -5.644 3.188 4.214 138 HB2 SER 18 1HB SER 18 -2.965 4.110 3.378 139 HB3 SER 18 2HB SER 18 -4.320 5.151 2.972 140 HG SER 18 HG SER 18 -3.103 4.881 5.298 141 H ILE 19 H ILE 19 -3.701 3.471 1.234 142 HA ILE 19 HA ILE 19 -5.623 4.282 -0.511 143 HB ILE 19 HB ILE 19 -3.437 2.268 -1.056 144 HG12 ILE 19 1HG1 ILE 19 -3.526 5.273 -1.455 145 HG13 ILE 19 2HG1 ILE 19 -2.821 4.510 -0.028 146 HG21 ILE 19 1HG2 ILE 19 -5.201 3.970 -2.808 147 HG22 ILE 19 2HG2 ILE 19 -4.994 2.222 -2.846 148 HG23 ILE 19 3HG2 ILE 19 -3.685 3.277 -3.367 149 HD11 ILE 19 3HD1 ILE 19 -1.974 4.108 -2.900 150 HD12 ILE 19 1HD1 ILE 19 -1.336 3.190 -1.538 151 HD13 ILE 19 2HD1 ILE 19 -1.057 4.927 -1.636 152 H GLU 20 H GLU 20 -5.198 1.081 0.801 153 HA GLU 20 HA GLU 20 -7.107 -0.187 -1.015 154 HB2 GLU 20 1HB GLU 20 -6.007 -1.065 1.670 155 HB3 GLU 20 2HB GLU 20 -7.089 -2.045 0.688 156 HG2 GLU 20 1HG GLU 20 -5.490 -2.020 -1.166 157 HG3 GLU 20 2HG GLU 20 -4.400 -0.991 -0.238 158 H ARG 21 H ARG 21 -7.180 0.966 2.348 159 HA ARG 21 HA ARG 21 -9.905 0.477 2.904 160 HB2 ARG 21 1HB ARG 21 -7.806 2.385 3.867 161 HB3 ARG 21 2HB ARG 21 -9.475 2.804 4.259 162 HG2 ARG 21 1HG ARG 21 -8.541 -0.015 4.768 163 HG3 ARG 21 2HG ARG 21 -8.037 1.254 5.882 164 HD2 ARG 21 1HD ARG 21 -10.938 0.992 5.109 165 HD3 ARG 21 2HD ARG 21 -10.253 -0.028 6.375 166 HE ARG 21 HE ARG 21 -9.473 2.590 7.011 167 HH11 ARG 21 1HH2 ARG 21 -12.374 0.805 6.494 168 HH12 ARG 21 2HH2 ARG 21 -13.311 1.753 7.602 169 HH21 ARG 21 1HH1 ARG 21 -10.676 3.837 8.459 170 HH22 ARG 21 2HH1 ARG 21 -12.349 3.469 8.714 171 H LEU 22 H LEU 22 -8.307 3.037 1.087 172 HA LEU 22 HA LEU 22 -10.549 4.711 0.699 173 HB2 LEU 22 1HB LEU 22 -7.870 4.346 -0.440 174 HB3 LEU 22 2HB LEU 22 -8.973 5.256 -1.421 175 HG LEU 22 HG LEU 22 -9.390 6.689 0.521 176 HD11 LEU 22 1HD1 LEU 22 -7.868 6.611 2.416 177 HD12 LEU 22 2HD1 LEU 22 -7.127 5.169 1.730 178 HD13 LEU 22 3HD1 LEU 22 -8.807 5.130 2.265 179 HD21 LEU 22 3HD2 LEU 22 -7.747 7.282 -1.219 180 HD22 LEU 22 1HD2 LEU 22 -6.496 6.496 -0.256 181 HD23 LEU 22 2HD2 LEU 22 -7.309 7.936 0.359 182 H CYS 23 H CYS 23 -8.906 2.718 -1.710 183 HA CYS 23 HA CYS 23 -10.929 2.796 -3.638 184 HB2 CYS 23 1HB CYS 23 -9.876 0.950 -4.723 185 HB3 CYS 23 2HB CYS 23 -8.581 1.807 -3.895 186 H GLN 24 H GLN 24 -10.493 0.084 -1.309 187 HA GLN 24 HA GLN 24 -12.797 -1.350 -1.935 188 HB2 GLN 24 1HB GLN 24 -11.644 -0.801 0.815 189 HB3 GLN 24 2HB GLN 24 -12.826 -2.060 0.459 190 HG2 GLN 24 1HG GLN 24 -11.216 -3.008 -1.221 191 HG3 GLN 24 2HG GLN 24 -10.022 -1.832 -0.668 192 HE21 GLN 24 2HE2 GLN 24 -8.873 -4.028 -0.107 193 HE22 GLN 24 1HE2 GLN 24 -9.184 -4.664 1.435 194 H HIS 25 H HIS 25 -12.553 1.688 -0.171 195 HA HIS 25 HA HIS 25 -15.450 1.634 0.458 196 HB2 HIS 25 1HB HIS 25 -13.772 2.368 2.165 197 HB3 HIS 25 2HB HIS 25 -13.390 3.746 1.132 198 HD1 HIS 25 HD1 HIS 25 -15.907 4.926 0.282 199 HD2 HIS 25 HD2 HIS 25 -15.591 3.192 4.063 200 HE1 HIS 25 HE1 HIS 25 -17.771 5.917 1.685 201 HE2 HIS 25 HE2 HIS 25 -17.588 4.869 3.987 202 H TYR 26 H TYR 26 -13.210 4.041 -1.012 203 HA TYR 26 HA TYR 26 -15.496 5.382 -2.261 204 HB2 TYR 26 1HB TYR 26 -12.562 6.023 -2.592 205 HB3 TYR 26 2HB TYR 26 -13.938 7.096 -2.818 206 HD1 TYR 26 HD1 TYR 26 -15.617 7.043 -0.641 207 HD2 TYR 26 HD2 TYR 26 -11.374 6.368 -0.604 208 HE1 TYR 26 HE1 TYR 26 -15.540 7.657 1.756 209 HE2 TYR 26 HE2 TYR 26 -11.299 6.976 1.803 210 HH TYR 26 HH TYR 26 -13.404 8.657 3.330 211 H ILE 27 H ILE 27 -12.370 4.775 -3.879 212 HA ILE 27 HA ILE 27 -13.531 4.645 -6.439 213 HB ILE 27 HB ILE 27 -11.066 3.022 -5.904 214 HG12 ILE 27 1HG1 ILE 27 -10.640 4.890 -4.462 215 HG13 ILE 27 2HG1 ILE 27 -9.757 5.181 -5.956 216 HG21 ILE 27 1HG2 ILE 27 -11.870 3.275 -8.200 217 HG22 ILE 27 2HG2 ILE 27 -10.331 4.107 -7.987 218 HG23 ILE 27 3HG2 ILE 27 -11.834 5.029 -8.023 219 HD11 ILE 27 3HD1 ILE 27 -10.779 7.219 -5.689 220 HD12 ILE 27 1HD1 ILE 27 -12.181 6.525 -4.888 221 HD13 ILE 27 2HD1 ILE 27 -12.013 6.395 -6.635 222 H GLY 28 H GLY 28 -12.241 1.784 -4.716 223 HA2 GLY 28 1HA GLY 28 -13.617 -0.246 -4.410 224 HA3 GLY 28 2HA GLY 28 -14.499 0.179 -5.878 225 H TRP 29 H TRP 29 -11.779 1.041 -7.018 226 HA TRP 29 HA TRP 29 -11.036 -1.662 -8.017 227 HB2 TRP 29 1HB TRP 29 -11.519 0.611 -9.413 228 HB3 TRP 29 2HB TRP 29 -9.792 0.836 -9.137 229 HD1 TRP 29 HD1 TRP 29 -8.646 -2.003 -9.493 230 HE1 TRP 29 HE1 TRP 29 -8.817 -3.234 -11.764 231 HE3 TRP 29 HE3 TRP 29 -12.517 0.546 -11.569 232 HZ2 TRP 29 HZ2 TRP 29 -10.396 -3.138 -14.133 233 HZ3 TRP 29 HZ3 TRP 29 -13.345 -0.025 -13.812 234 HH2 TRP 29 HH2 TRP 29 -12.299 -1.866 -15.117 235 H CYS 30 H CYS 30 -9.288 -2.630 -7.154 236 HA CYS 30 HA CYS 30 -7.031 -0.966 -6.119 237 HB2 CYS 30 1HB CYS 30 -7.771 -3.475 -4.654 238 HB3 CYS 30 2HB CYS 30 -7.033 -1.995 -4.041 239 HA PRO 31 HA PRO 31 -5.529 -3.728 -9.509 240 HB2 PRO 31 1HB PRO 31 -3.075 -2.489 -8.256 241 HB3 PRO 31 2HB PRO 31 -3.369 -2.897 -9.960 242 HG2 PRO 31 1HG PRO 31 -3.719 -0.424 -9.135 243 HG3 PRO 31 2HG PRO 31 -4.900 -1.165 -10.233 244 HD2 PRO 31 1HD PRO 31 -5.170 -0.552 -7.327 245 HD3 PRO 31 2HD PRO 31 -6.436 -0.642 -8.574 246 H PHE 32 H PHE 32 -2.732 -3.971 -7.422 247 HA PHE 32 HA PHE 32 -3.622 -6.229 -5.883 248 HB2 PHE 32 1HB PHE 32 -3.684 -7.374 -8.027 249 HB3 PHE 32 2HB PHE 32 -2.070 -6.791 -8.428 250 HD1 PHE 32 HD1 PHE 32 -3.847 -8.658 -5.696 251 HD2 PHE 32 HD2 PHE 32 -0.254 -8.214 -8.010 252 HE1 PHE 32 HE1 PHE 32 -2.865 -10.628 -4.552 253 HE2 PHE 32 HE2 PHE 32 0.726 -10.183 -6.866 254 HZ PHE 32 HZ PHE 32 -0.578 -11.390 -5.137 255 H TRP 33 H TRP 33 -2.403 -4.477 -4.614 256 HA TRP 33 HA TRP 33 0.279 -3.855 -4.729 257 HB2 TRP 33 1HB TRP 33 -1.610 -4.366 -2.498 258 HB3 TRP 33 2HB TRP 33 0.082 -4.241 -2.072 259 HD1 TRP 33 HD1 TRP 33 1.058 -1.946 -1.877 260 HE1 TRP 33 HE1 TRP 33 0.236 0.459 -2.332 261 HE3 TRP 33 HE3 TRP 33 -3.326 -2.955 -4.290 262 HZ2 TRP 33 HZ2 TRP 33 -1.966 1.763 -3.540 263 HZ3 TRP 33 HZ3 TRP 33 -4.763 -1.106 -5.091 264 HH2 TRP 33 HH2 TRP 33 -4.089 1.251 -4.733 Start of MODEL 14 1 H1 ASN 1 1H ASN 1 19.808 -8.689 6.616 2 H2 ASN 1 2H ASN 1 19.083 -10.178 6.993 3 H3 ASN 1 3H ASN 1 19.735 -9.211 8.228 4 HA ASN 1 HA ASN 1 17.653 -8.494 8.522 5 HB2 ASN 1 1HB ASN 1 17.026 -6.725 6.690 6 HB3 ASN 1 2HB ASN 1 18.454 -6.451 7.689 7 HD21 ASN 1 2HD2 ASN 1 18.993 -5.089 5.610 8 HD22 ASN 1 1HD2 ASN 1 19.832 -5.904 4.380 9 H GLU 2 H GLU 2 15.518 -7.844 6.978 10 HA GLU 2 HA GLU 2 14.472 -10.409 6.202 11 HB2 GLU 2 1HB GLU 2 13.132 -8.409 7.030 12 HB3 GLU 2 2HB GLU 2 13.349 -7.708 5.428 13 HG2 GLU 2 1HG GLU 2 11.260 -8.837 5.322 14 HG3 GLU 2 2HG GLU 2 12.399 -9.910 4.509 15 H LEU 3 H LEU 3 14.547 -11.396 4.248 16 HA LEU 3 HA LEU 3 16.229 -10.395 2.156 17 HB2 LEU 3 1HB LEU 3 15.524 -12.848 2.728 18 HB3 LEU 3 2HB LEU 3 14.124 -12.506 1.714 19 HG LEU 3 HG LEU 3 15.947 -11.651 -0.012 20 HD11 LEU 3 1HD1 LEU 3 17.888 -11.856 1.459 21 HD12 LEU 3 2HD1 LEU 3 18.029 -13.025 0.148 22 HD13 LEU 3 3HD1 LEU 3 17.521 -13.556 1.751 23 HD21 LEU 3 3HD2 LEU 3 14.450 -13.567 -0.395 24 HD22 LEU 3 1HD2 LEU 3 15.503 -14.596 0.576 25 HD23 LEU 3 2HD2 LEU 3 16.079 -13.939 -0.955 26 H ASP 4 H ASP 4 13.535 -9.024 3.028 27 HA ASP 4 HA ASP 4 12.120 -8.842 0.462 28 HB2 ASP 4 1HB ASP 4 10.642 -7.287 1.636 29 HB3 ASP 4 2HB ASP 4 10.911 -8.708 2.644 30 H VAL 5 H VAL 5 14.441 -8.139 -0.381 31 HA VAL 5 HA VAL 5 15.625 -5.708 0.125 32 HB VAL 5 HB VAL 5 15.260 -7.194 -2.471 33 HG11 VAL 5 1HG1 VAL 5 15.425 -4.912 -3.213 34 HG12 VAL 5 2HG1 VAL 5 17.032 -5.619 -3.379 35 HG13 VAL 5 3HG1 VAL 5 16.673 -4.557 -2.019 36 HG21 VAL 5 3HG2 VAL 5 16.772 -7.953 -0.551 37 HG22 VAL 5 1HG2 VAL 5 17.767 -6.545 -0.926 38 HG23 VAL 5 2HG2 VAL 5 17.529 -7.803 -2.138 39 HA PRO 6 HA PRO 6 12.529 -3.428 -3.078 40 HB2 PRO 6 1HB PRO 6 10.076 -4.800 -2.161 41 HB3 PRO 6 2HB PRO 6 10.583 -4.374 -3.798 42 HG2 PRO 6 1HG PRO 6 10.754 -6.924 -2.498 43 HG3 PRO 6 2HG PRO 6 11.240 -6.503 -4.148 44 HD2 PRO 6 1HD PRO 6 12.997 -7.214 -2.092 45 HD3 PRO 6 2HD PRO 6 13.455 -6.349 -3.575 46 H GLU 7 H GLU 7 13.006 -1.804 -1.583 47 HA GLU 7 HA GLU 7 11.520 -1.724 0.967 48 HB2 GLU 7 1HB GLU 7 14.132 -0.976 0.254 49 HB3 GLU 7 2HB GLU 7 13.298 0.556 0.474 50 HG2 GLU 7 1HG GLU 7 13.489 -1.708 2.484 51 HG3 GLU 7 2HG GLU 7 14.260 -0.126 2.601 52 H GLN 8 H GLN 8 12.306 0.748 -1.539 53 HA GLN 8 HA GLN 8 10.216 2.503 -0.857 54 HB2 GLN 8 1HB GLN 8 11.476 1.916 -3.543 55 HB3 GLN 8 2HB GLN 8 10.237 3.161 -3.335 56 HG2 GLN 8 1HG GLN 8 12.585 4.047 -3.175 57 HG3 GLN 8 2HG GLN 8 11.616 4.347 -1.732 58 HE21 GLN 8 2HE2 GLN 8 12.276 3.347 0.240 59 HE22 GLN 8 1HE2 GLN 8 13.664 2.378 0.369 60 H VAL 9 H VAL 9 10.052 -0.619 -2.046 61 HA VAL 9 HA VAL 9 7.474 -0.408 -3.385 62 HB VAL 9 HB VAL 9 9.168 -2.702 -2.369 63 HG11 VAL 9 1HG1 VAL 9 6.969 -3.514 -1.993 64 HG12 VAL 9 2HG1 VAL 9 7.442 -4.177 -3.559 65 HG13 VAL 9 3HG1 VAL 9 6.362 -2.784 -3.482 66 HG21 VAL 9 3HG2 VAL 9 8.923 -3.266 -4.934 67 HG22 VAL 9 1HG2 VAL 9 10.052 -2.015 -4.425 68 HG23 VAL 9 2HG2 VAL 9 8.478 -1.570 -5.077 69 H ASP 10 H ASP 10 8.511 -2.103 -0.453 70 HA ASP 10 HA ASP 10 6.094 -2.529 0.818 71 HB2 ASP 10 1HB ASP 10 8.143 -3.339 1.784 72 HB3 ASP 10 2HB ASP 10 8.789 -1.705 1.951 73 H LYS 11 H LYS 11 8.039 0.447 0.903 74 HA LYS 11 HA LYS 11 6.236 1.932 2.557 75 HB2 LYS 11 1HB LYS 11 8.667 2.435 1.149 76 HB3 LYS 11 2HB LYS 11 7.525 3.666 0.620 77 HG2 LYS 11 1HG LYS 11 7.024 3.928 3.200 78 HG3 LYS 11 2HG LYS 11 8.584 3.122 3.396 79 HD2 LYS 11 1HD LYS 11 9.506 4.855 1.775 80 HD3 LYS 11 2HD LYS 11 7.980 5.710 1.990 81 HE2 LYS 11 1HE LYS 11 10.107 5.131 4.051 82 HE3 LYS 11 2HE LYS 11 9.408 6.688 3.607 83 HZ1 LYS 11 3HZ LYS 11 8.023 4.469 5.012 84 HZ2 LYS 11 1HZ LYS 11 7.275 5.903 4.501 85 HZ3 LYS 11 2HZ LYS 11 8.492 5.957 5.685 86 H LEU 12 H LEU 12 6.580 1.766 -0.986 87 HA LEU 12 HA LEU 12 4.347 3.350 -1.663 88 HB2 LEU 12 1HB LEU 12 5.940 1.203 -2.924 89 HB3 LEU 12 2HB LEU 12 4.419 1.564 -3.689 90 HG LEU 12 HG LEU 12 6.624 2.790 -4.443 91 HD11 LEU 12 1HD1 LEU 12 3.978 4.179 -3.973 92 HD12 LEU 12 2HD1 LEU 12 4.488 3.307 -5.418 93 HD13 LEU 12 3HD1 LEU 12 5.258 4.835 -4.993 94 HD21 LEU 12 3HD2 LEU 12 6.885 3.622 -1.914 95 HD22 LEU 12 1HD2 LEU 12 5.842 4.919 -2.482 96 HD23 LEU 12 2HD2 LEU 12 7.391 4.613 -3.265 97 H ILE 13 H ILE 13 4.570 -0.207 -1.352 98 HA ILE 13 HA ILE 13 1.855 -0.828 -1.611 99 HB ILE 13 HB ILE 13 3.883 -2.032 0.281 100 HG12 ILE 13 1HG1 ILE 13 3.175 -2.469 -2.628 101 HG13 ILE 13 2HG1 ILE 13 4.742 -2.104 -1.944 102 HG21 ILE 13 1HG2 ILE 13 1.492 -2.634 0.766 103 HG22 ILE 13 2HG2 ILE 13 2.462 -4.007 0.260 104 HG23 ILE 13 3HG2 ILE 13 1.355 -3.240 -0.883 105 HD11 ILE 13 3HD1 ILE 13 4.798 -4.416 -2.460 106 HD12 ILE 13 1HD1 ILE 13 3.209 -4.680 -1.746 107 HD13 ILE 13 2HD1 ILE 13 4.589 -4.316 -0.712 108 H GLN 14 H GLN 14 3.606 -0.126 1.411 109 HA GLN 14 HA GLN 14 1.418 -0.029 3.159 110 HB2 GLN 14 1HB GLN 14 4.104 1.214 3.069 111 HB3 GLN 14 2HB GLN 14 2.986 1.914 4.213 112 HG2 GLN 14 1HG GLN 14 4.496 -0.004 5.053 113 HG3 GLN 14 2HG GLN 14 2.776 -0.125 5.414 114 HE21 GLN 14 2HE2 GLN 14 5.366 -1.442 3.377 115 HE22 GLN 14 1HE2 GLN 14 4.503 -2.809 2.860 116 H GLN 15 H GLN 15 2.679 2.476 0.991 117 HA GLN 15 HA GLN 15 0.682 4.415 1.787 118 HB2 GLN 15 1HB GLN 15 2.794 4.200 -0.283 119 HB3 GLN 15 2HB GLN 15 1.536 5.377 -0.574 120 HG2 GLN 15 1HG GLN 15 1.999 6.355 1.676 121 HG3 GLN 15 2HG GLN 15 3.322 5.202 1.868 122 HE21 GLN 15 2HE2 GLN 15 2.283 8.094 0.102 123 HE22 GLN 15 1HE2 GLN 15 3.805 8.450 -0.561 124 H ALA 16 H ALA 16 0.727 1.630 -0.121 125 HA ALA 16 HA ALA 16 -1.469 2.453 -1.909 126 HB1 ALA 16 3HB ALA 16 -1.157 0.377 -2.999 127 HB2 ALA 16 1HB ALA 16 -0.416 -0.361 -1.576 128 HB3 ALA 16 2HB ALA 16 0.474 0.841 -2.514 129 H THR 17 H THR 17 -0.959 0.774 1.084 130 HA THR 17 HA THR 17 -3.387 -0.710 1.219 131 HB THR 17 HB THR 17 -3.030 -0.612 3.686 132 HG1 THR 17 HG1 THR 17 -0.634 0.663 3.459 133 HG21 THR 17 3HG2 THR 17 -1.842 -2.322 2.501 134 HG22 THR 17 1HG2 THR 17 -0.695 -1.598 3.622 135 HG23 THR 17 2HG2 THR 17 -0.647 -1.169 1.916 136 H SER 18 H SER 18 -2.628 2.660 1.813 137 HA SER 18 HA SER 18 -5.091 3.350 3.112 138 HB2 SER 18 1HB SER 18 -2.851 4.810 1.848 139 HB3 SER 18 2HB SER 18 -4.358 5.690 2.052 140 HG SER 18 HG SER 18 -3.255 5.961 3.930 141 H ILE 19 H ILE 19 -4.052 4.410 -0.127 142 HA ILE 19 HA ILE 19 -6.496 5.151 -1.159 143 HB ILE 19 HB ILE 19 -4.126 3.806 -2.458 144 HG12 ILE 19 1HG1 ILE 19 -5.071 6.685 -2.507 145 HG13 ILE 19 2HG1 ILE 19 -3.909 6.070 -1.330 146 HG21 ILE 19 1HG2 ILE 19 -6.611 5.024 -3.656 147 HG22 ILE 19 2HG2 ILE 19 -5.943 3.419 -3.946 148 HG23 ILE 19 3HG2 ILE 19 -5.111 4.844 -4.563 149 HD11 ILE 19 3HD1 ILE 19 -3.602 6.019 -4.336 150 HD12 ILE 19 1HD1 ILE 19 -2.457 5.327 -3.191 151 HD13 ILE 19 2HD1 ILE 19 -2.731 7.069 -3.222 152 H GLU 20 H GLU 20 -5.230 1.953 -0.586 153 HA GLU 20 HA GLU 20 -7.341 0.599 -2.113 154 HB2 GLU 20 1HB GLU 20 -5.162 -0.318 -0.239 155 HB3 GLU 20 2HB GLU 20 -6.460 -1.422 -0.683 156 HG2 GLU 20 1HG GLU 20 -4.789 0.071 -2.721 157 HG3 GLU 20 2HG GLU 20 -4.410 -1.558 -2.163 158 H ARG 21 H ARG 21 -6.532 0.954 1.349 159 HA ARG 21 HA ARG 21 -8.874 -0.144 2.446 160 HB2 ARG 21 1HB ARG 21 -7.022 2.074 3.318 161 HB3 ARG 21 2HB ARG 21 -8.448 1.687 4.283 162 HG2 ARG 21 1HG ARG 21 -6.600 -0.541 3.433 163 HG3 ARG 21 2HG ARG 21 -6.139 0.489 4.786 164 HD2 ARG 21 1HD ARG 21 -8.890 -0.738 4.702 165 HD3 ARG 21 2HD ARG 21 -7.512 -1.680 5.269 166 HE ARG 21 HE ARG 21 -7.760 0.952 6.534 167 HH11 ARG 21 1HH2 ARG 21 -8.593 -2.395 6.538 168 HH12 ARG 21 2HH2 ARG 21 -8.923 -2.447 8.237 169 HH21 ARG 21 1HH1 ARG 21 -8.187 0.901 8.753 170 HH22 ARG 21 2HH1 ARG 21 -8.694 -0.581 9.491 171 H LEU 22 H LEU 22 -8.277 3.058 1.073 172 HA LEU 22 HA LEU 22 -10.724 4.259 1.745 173 HB2 LEU 22 1HB LEU 22 -8.498 4.674 -0.126 174 HB3 LEU 22 2HB LEU 22 -9.960 5.538 -0.487 175 HG LEU 22 HG LEU 22 -9.880 6.697 1.509 176 HD11 LEU 22 1HD1 LEU 22 -8.091 4.562 2.475 177 HD12 LEU 22 2HD1 LEU 22 -9.469 5.317 3.269 178 HD13 LEU 22 3HD1 LEU 22 -7.928 6.161 3.186 179 HD21 LEU 22 3HD2 LEU 22 -7.782 7.857 1.438 180 HD22 LEU 22 1HD2 LEU 22 -8.184 7.348 -0.198 181 HD23 LEU 22 2HD2 LEU 22 -6.999 6.446 0.738 182 H CYS 23 H CYS 23 -9.666 3.282 -1.465 183 HA CYS 23 HA CYS 23 -12.202 3.238 -2.696 184 HB2 CYS 23 1HB CYS 23 -11.183 2.103 -4.497 185 HB3 CYS 23 2HB CYS 23 -9.842 2.968 -3.749 186 H GLN 24 H GLN 24 -10.566 0.673 -0.869 187 HA GLN 24 HA GLN 24 -12.508 -1.370 -1.433 188 HB2 GLN 24 1HB GLN 24 -10.580 -1.014 0.878 189 HB3 GLN 24 2HB GLN 24 -11.553 -2.463 0.630 190 HG2 GLN 24 1HG GLN 24 -9.757 -1.381 -1.544 191 HG3 GLN 24 2HG GLN 24 -9.148 -2.482 -0.311 192 HE21 GLN 24 2HE2 GLN 24 -8.915 -3.688 -2.621 193 HE22 GLN 24 1HE2 GLN 24 -10.198 -4.740 -2.985 194 H HIS 25 H HIS 25 -12.270 1.107 1.096 195 HA HIS 25 HA HIS 25 -14.703 0.088 2.427 196 HB2 HIS 25 1HB HIS 25 -12.740 1.003 3.711 197 HB3 HIS 25 2HB HIS 25 -13.103 2.591 3.034 198 HD1 HIS 25 HD1 HIS 25 -13.426 3.014 5.772 199 HD2 HIS 25 HD2 HIS 25 -16.411 0.873 3.793 200 HE1 HIS 25 HE1 HIS 25 -15.478 3.097 7.258 201 HE2 HIS 25 HE2 HIS 25 -17.297 1.796 6.064 202 H TYR 26 H TYR 26 -13.681 2.895 0.499 203 HA TYR 26 HA TYR 26 -16.260 4.223 0.718 204 HB2 TYR 26 1HB TYR 26 -13.751 4.623 -0.893 205 HB3 TYR 26 2HB TYR 26 -15.205 5.515 -1.344 206 HD1 TYR 26 HD1 TYR 26 -16.436 6.747 0.657 207 HD2 TYR 26 HD2 TYR 26 -12.344 5.465 0.766 208 HE1 TYR 26 HE1 TYR 26 -15.987 8.322 2.522 209 HE2 TYR 26 HE2 TYR 26 -11.887 7.024 2.633 210 HH TYR 26 HH TYR 26 -14.004 8.262 4.542 211 H ILE 27 H ILE 27 -14.610 2.911 -2.174 212 HA ILE 27 HA ILE 27 -17.236 2.571 -3.474 213 HB ILE 27 HB ILE 27 -14.418 2.056 -4.474 214 HG12 ILE 27 1HG1 ILE 27 -15.322 4.208 -5.872 215 HG13 ILE 27 2HG1 ILE 27 -16.212 4.467 -4.388 216 HG21 ILE 27 1HG2 ILE 27 -15.671 2.203 -6.726 217 HG22 ILE 27 2HG2 ILE 27 -17.138 1.928 -5.787 218 HG23 ILE 27 3HG2 ILE 27 -15.855 0.715 -5.797 219 HD11 ILE 27 3HD1 ILE 27 -14.031 5.631 -4.408 220 HD12 ILE 27 1HD1 ILE 27 -13.219 4.078 -4.593 221 HD13 ILE 27 2HD1 ILE 27 -14.128 4.432 -3.127 222 H GLY 28 H GLY 28 -14.402 0.378 -3.284 223 HA2 GLY 28 1HA GLY 28 -14.713 -1.811 -2.071 224 HA3 GLY 28 2HA GLY 28 -16.319 -1.890 -2.792 225 H TRP 29 H TRP 29 -14.449 -0.528 -5.108 226 HA TRP 29 HA TRP 29 -13.505 -3.139 -6.238 227 HB2 TRP 29 1HB TRP 29 -15.604 -1.335 -7.254 228 HB3 TRP 29 2HB TRP 29 -14.344 -1.598 -8.457 229 HD1 TRP 29 HD1 TRP 29 -16.116 -3.995 -5.940 230 HE1 TRP 29 HE1 TRP 29 -16.828 -6.091 -7.279 231 HE3 TRP 29 HE3 TRP 29 -14.482 -2.666 -10.564 232 HZ2 TRP 29 HZ2 TRP 29 -16.714 -7.059 -9.954 233 HZ3 TRP 29 HZ3 TRP 29 -14.785 -4.166 -12.485 234 HH2 TRP 29 HH2 TRP 29 -15.899 -6.373 -12.207 235 H CYS 30 H CYS 30 -11.385 -2.982 -6.740 236 HA CYS 30 HA CYS 30 -10.307 -0.427 -7.802 237 HB2 CYS 30 1HB CYS 30 -8.708 -1.725 -5.615 238 HB3 CYS 30 2HB CYS 30 -8.816 -0.025 -6.068 239 HA PRO 31 HA PRO 31 -8.561 -4.357 -9.628 240 HB2 PRO 31 1HB PRO 31 -9.386 -4.028 -12.195 241 HB3 PRO 31 2HB PRO 31 -10.445 -4.709 -10.942 242 HG2 PRO 31 1HG PRO 31 -10.378 -1.939 -12.056 243 HG3 PRO 31 2HG PRO 31 -11.773 -2.950 -11.638 244 HD2 PRO 31 1HD PRO 31 -10.782 -0.944 -10.004 245 HD3 PRO 31 2HD PRO 31 -11.705 -2.339 -9.404 246 H PHE 32 H PHE 32 -7.800 -1.198 -9.633 247 HA PHE 32 HA PHE 32 -5.976 -1.177 -11.947 248 HB2 PHE 32 1HB PHE 32 -6.466 0.785 -9.691 249 HB3 PHE 32 2HB PHE 32 -5.273 1.046 -10.962 250 HD1 PHE 32 HD2 PHE 32 -6.065 0.998 -13.398 251 HD2 PHE 32 HD1 PHE 32 -8.754 1.283 -10.059 252 HE1 PHE 32 HE2 PHE 32 -7.844 1.848 -14.902 253 HE2 PHE 32 HE1 PHE 32 -10.532 2.132 -11.565 254 HZ PHE 32 HZ PHE 32 -10.077 2.415 -13.986 255 H TRP 33 H TRP 33 -5.920 -2.612 -8.979 256 HA TRP 33 HA TRP 33 -2.986 -2.226 -8.568 257 HB2 TRP 33 1HB TRP 33 -5.251 -3.077 -6.815 258 HB3 TRP 33 2HB TRP 33 -3.635 -3.612 -6.416 259 HD1 TRP 33 HD1 TRP 33 -2.171 -1.994 -5.166 260 HE1 TRP 33 HE1 TRP 33 -2.310 0.501 -4.505 261 HE3 TRP 33 HE3 TRP 33 -6.334 -0.629 -7.773 262 HZ2 TRP 33 HZ2 TRP 33 -3.961 2.753 -5.012 263 HZ3 TRP 33 HZ3 TRP 33 -7.175 1.703 -7.663 264 HH2 TRP 33 HH2 TRP 33 -5.995 3.395 -6.289 Start of MODEL 15 1 H1 ASN 1 1H ASN 1 15.172 -13.283 6.313 2 H2 ASN 1 2H ASN 1 14.888 -14.744 7.135 3 H3 ASN 1 3H ASN 1 15.954 -13.593 7.786 4 HA ASN 1 HA ASN 1 13.490 -13.822 8.640 5 HB2 ASN 1 1HB ASN 1 14.704 -11.094 8.150 6 HB3 ASN 1 2HB ASN 1 13.711 -11.607 9.515 7 HD21 ASN 1 2HD2 ASN 1 15.059 -11.687 11.320 8 HD22 ASN 1 1HD2 ASN 1 16.604 -12.391 11.347 9 H GLU 2 H GLU 2 13.004 -10.736 7.665 10 HA GLU 2 HA GLU 2 10.694 -11.404 6.075 11 HB2 GLU 2 1HB GLU 2 12.088 -8.822 6.686 12 HB3 GLU 2 2HB GLU 2 10.653 -8.890 5.673 13 HG2 GLU 2 1HG GLU 2 10.036 -8.412 8.007 14 HG3 GLU 2 2HG GLU 2 9.421 -9.991 7.517 15 H LEU 3 H LEU 3 10.654 -11.853 3.926 16 HA LEU 3 HA LEU 3 13.057 -11.625 2.315 17 HB2 LEU 3 1HB LEU 3 10.189 -12.362 1.708 18 HB3 LEU 3 2HB LEU 3 11.398 -12.246 0.434 19 HG LEU 3 HG LEU 3 11.102 -14.573 1.313 20 HD11 LEU 3 1HD1 LEU 3 13.873 -13.778 2.148 21 HD12 LEU 3 2HD1 LEU 3 13.386 -13.454 0.486 22 HD13 LEU 3 3HD1 LEU 3 13.341 -15.099 1.111 23 HD21 LEU 3 3HD2 LEU 3 11.673 -15.148 3.542 24 HD22 LEU 3 1HD2 LEU 3 10.695 -13.689 3.701 25 HD23 LEU 3 2HD2 LEU 3 12.452 -13.593 3.832 26 H ASP 4 H ASP 4 11.380 -9.241 3.478 27 HA ASP 4 HA ASP 4 10.589 -7.715 1.146 28 HB2 ASP 4 1HB ASP 4 10.427 -5.820 2.728 29 HB3 ASP 4 2HB ASP 4 9.635 -7.260 3.371 30 H VAL 5 H VAL 5 12.640 -8.056 -0.098 31 HA VAL 5 HA VAL 5 15.058 -6.774 0.849 32 HB VAL 5 HB VAL 5 14.456 -7.550 -2.006 33 HG11 VAL 5 1HG1 VAL 5 16.515 -6.209 -1.447 34 HG12 VAL 5 2HG1 VAL 5 16.853 -7.785 -2.165 35 HG13 VAL 5 3HG1 VAL 5 17.040 -7.549 -0.427 36 HG21 VAL 5 3HG2 VAL 5 13.915 -9.499 -0.709 37 HG22 VAL 5 1HG2 VAL 5 15.302 -9.253 0.352 38 HG23 VAL 5 2HG2 VAL 5 15.550 -9.748 -1.323 39 HA PRO 6 HA PRO 6 13.635 -3.253 -2.014 40 HB2 PRO 6 1HB PRO 6 11.421 -3.321 -3.313 41 HB3 PRO 6 2HB PRO 6 12.623 -4.537 -3.694 42 HG2 PRO 6 1HG PRO 6 10.178 -4.811 -1.996 43 HG3 PRO 6 2HG PRO 6 10.796 -5.901 -3.254 44 HD2 PRO 6 1HD PRO 6 11.319 -6.142 -0.491 45 HD3 PRO 6 2HD PRO 6 12.237 -6.948 -1.782 46 H GLU 7 H GLU 7 13.575 -1.728 -0.484 47 HA GLU 7 HA GLU 7 11.418 -1.583 1.469 48 HB2 GLU 7 1HB GLU 7 13.757 -1.144 2.127 49 HB3 GLU 7 2HB GLU 7 13.787 0.253 1.051 50 HG2 GLU 7 1HG GLU 7 12.219 1.448 2.358 51 HG3 GLU 7 2HG GLU 7 11.689 -0.004 3.208 52 H GLN 8 H GLN 8 12.757 0.928 -0.770 53 HA GLN 8 HA GLN 8 10.654 2.757 -0.454 54 HB2 GLN 8 1HB GLN 8 12.103 2.102 -3.039 55 HB3 GLN 8 2HB GLN 8 11.115 3.543 -2.767 56 HG2 GLN 8 1HG GLN 8 13.486 2.821 -1.023 57 HG3 GLN 8 2HG GLN 8 13.621 3.863 -2.440 58 HE21 GLN 8 2HE2 GLN 8 11.282 5.395 -2.268 59 HE22 GLN 8 1HE2 GLN 8 11.297 6.304 -0.836 60 H VAL 9 H VAL 9 10.563 -0.347 -1.672 61 HA VAL 9 HA VAL 9 8.198 -0.054 -3.335 62 HB VAL 9 HB VAL 9 9.971 -2.269 -2.323 63 HG11 VAL 9 1HG1 VAL 9 7.105 -2.653 -3.279 64 HG12 VAL 9 2HG1 VAL 9 7.844 -3.272 -1.803 65 HG13 VAL 9 3HG1 VAL 9 8.312 -3.935 -3.367 66 HG21 VAL 9 3HG2 VAL 9 8.857 -1.410 -5.024 67 HG22 VAL 9 1HG2 VAL 9 9.729 -2.924 -4.802 68 HG23 VAL 9 2HG2 VAL 9 10.532 -1.389 -4.475 69 H ASP 10 H ASP 10 8.821 -1.792 -0.279 70 HA ASP 10 HA ASP 10 6.189 -2.189 0.558 71 HB2 ASP 10 1HB ASP 10 8.116 -3.058 1.809 72 HB3 ASP 10 2HB ASP 10 8.595 -1.419 2.252 73 H LYS 11 H LYS 11 8.223 0.690 1.103 74 HA LYS 11 HA LYS 11 6.270 2.232 2.490 75 HB2 LYS 11 1HB LYS 11 8.667 2.908 0.792 76 HB3 LYS 11 2HB LYS 11 7.576 4.204 1.277 77 HG2 LYS 11 1HG LYS 11 9.330 4.069 2.923 78 HG3 LYS 11 2HG LYS 11 7.852 3.469 3.665 79 HD2 LYS 11 1HD LYS 11 9.372 1.309 2.350 80 HD3 LYS 11 2HD LYS 11 10.326 2.122 3.581 81 HE2 LYS 11 1HE LYS 11 7.540 1.010 4.029 82 HE3 LYS 11 2HE LYS 11 9.034 0.189 4.477 83 HZ1 LYS 11 3HZ LYS 11 9.331 2.672 5.529 84 HZ2 LYS 11 1HZ LYS 11 8.854 1.288 6.387 85 HZ3 LYS 11 2HZ LYS 11 7.681 2.355 5.777 86 H LEU 12 H LEU 12 7.034 2.070 -0.988 87 HA LEU 12 HA LEU 12 4.964 3.759 -1.908 88 HB2 LEU 12 1HB LEU 12 6.637 1.577 -3.001 89 HB3 LEU 12 2HB LEU 12 5.244 2.011 -3.951 90 HG LEU 12 HG LEU 12 7.570 3.169 -4.376 91 HD11 LEU 12 1HD1 LEU 12 5.538 3.759 -5.572 92 HD12 LEU 12 2HD1 LEU 12 6.389 5.233 -5.113 93 HD13 LEU 12 3HD1 LEU 12 4.971 4.714 -4.202 94 HD21 LEU 12 3HD2 LEU 12 7.516 3.943 -1.812 95 HD22 LEU 12 1HD2 LEU 12 6.610 5.290 -2.487 96 HD23 LEU 12 2HD2 LEU 12 8.241 4.934 -3.058 97 H ILE 13 H ILE 13 5.018 0.187 -1.665 98 HA ILE 13 HA ILE 13 2.323 -0.294 -2.273 99 HB ILE 13 HB ILE 13 4.073 -1.671 -0.228 100 HG12 ILE 13 1HG1 ILE 13 3.680 -1.950 -3.213 101 HG13 ILE 13 2HG1 ILE 13 5.175 -1.706 -2.343 102 HG21 ILE 13 1HG2 ILE 13 2.577 -3.576 -0.508 103 HG22 ILE 13 2HG2 ILE 13 1.622 -2.683 -1.698 104 HG23 ILE 13 3HG2 ILE 13 1.635 -2.178 -0.012 105 HD11 ILE 13 3HD1 ILE 13 3.497 -4.196 -2.435 106 HD12 ILE 13 1HD1 ILE 13 4.779 -3.954 -1.251 107 HD13 ILE 13 2HD1 ILE 13 5.165 -3.991 -2.972 108 H GLN 14 H GLN 14 3.766 0.260 0.939 109 HA GLN 14 HA GLN 14 1.385 0.352 2.431 110 HB2 GLN 14 1HB GLN 14 4.108 1.479 2.730 111 HB3 GLN 14 2HB GLN 14 2.884 2.166 3.767 112 HG2 GLN 14 1HG GLN 14 4.234 0.127 4.647 113 HG3 GLN 14 2HG GLN 14 2.486 0.108 4.855 114 HE21 GLN 14 2HE2 GLN 14 5.085 -1.136 2.706 115 HE22 GLN 14 1HE2 GLN 14 4.212 -2.493 2.182 116 H GLN 15 H GLN 15 2.932 2.843 0.457 117 HA GLN 15 HA GLN 15 1.012 4.881 1.172 118 HB2 GLN 15 1HB GLN 15 3.170 4.546 -0.833 119 HB3 GLN 15 2HB GLN 15 1.985 5.779 -1.176 120 HG2 GLN 15 1HG GLN 15 2.428 6.780 1.054 121 HG3 GLN 15 2HG GLN 15 3.651 5.541 1.344 122 HE21 GLN 15 2HE2 GLN 15 2.841 7.913 -1.269 123 HE22 GLN 15 1HE2 GLN 15 4.452 8.366 -1.550 124 H ALA 16 H ALA 16 1.016 2.109 -0.771 125 HA ALA 16 HA ALA 16 -1.229 3.013 -2.496 126 HB1 ALA 16 3HB ALA 16 0.755 1.624 -3.358 127 HB2 ALA 16 1HB ALA 16 -0.853 1.025 -3.762 128 HB3 ALA 16 2HB ALA 16 0.065 0.273 -2.454 129 H THR 17 H THR 17 -0.678 1.423 0.472 130 HA THR 17 HA THR 17 -2.931 -0.385 0.410 131 HB THR 17 HB THR 17 -2.656 -0.377 2.913 132 HG1 THR 17 HG1 THR 17 -0.419 1.251 2.365 133 HG21 THR 17 3HG2 THR 17 -0.302 -0.855 1.088 134 HG22 THR 17 1HG2 THR 17 -1.442 -2.037 1.729 135 HG23 THR 17 2HG2 THR 17 -0.261 -1.282 2.798 136 H SER 18 H SER 18 -2.486 2.990 1.253 137 HA SER 18 HA SER 18 -4.975 3.388 2.593 138 HB2 SER 18 1HB SER 18 -2.935 5.107 1.318 139 HB3 SER 18 2HB SER 18 -4.515 5.823 1.591 140 HG SER 18 HG SER 18 -2.543 5.209 3.353 141 H ILE 19 H ILE 19 -4.157 4.656 -0.633 142 HA ILE 19 HA ILE 19 -6.696 5.190 -1.564 143 HB ILE 19 HB ILE 19 -4.241 4.145 -2.979 144 HG12 ILE 19 1HG1 ILE 19 -5.482 6.910 -2.874 145 HG13 ILE 19 2HG1 ILE 19 -4.224 6.372 -1.758 146 HG21 ILE 19 1HG2 ILE 19 -6.861 5.164 -4.067 147 HG22 ILE 19 2HG2 ILE 19 -6.066 3.634 -4.419 148 HG23 ILE 19 3HG2 ILE 19 -5.375 5.138 -5.013 149 HD11 ILE 19 3HD1 ILE 19 -3.984 6.395 -4.771 150 HD12 ILE 19 1HD1 ILE 19 -2.724 5.925 -3.633 151 HD13 ILE 19 2HD1 ILE 19 -3.281 7.597 -3.691 152 H GLU 20 H GLU 20 -5.091 2.119 -1.179 153 HA GLU 20 HA GLU 20 -7.093 0.617 -2.710 154 HB2 GLU 20 1HB GLU 20 -4.801 -0.144 -0.903 155 HB3 GLU 20 2HB GLU 20 -5.957 -1.358 -1.439 156 HG2 GLU 20 1HG GLU 20 -5.461 -0.870 -3.771 157 HG3 GLU 20 2HG GLU 20 -4.403 0.461 -3.301 158 H ARG 21 H ARG 21 -6.278 1.062 0.735 159 HA ARG 21 HA ARG 21 -8.442 -0.401 1.823 160 HB2 ARG 21 1HB ARG 21 -6.755 1.902 2.764 161 HB3 ARG 21 2HB ARG 21 -8.184 1.479 3.706 162 HG2 ARG 21 1HG ARG 21 -6.247 -0.690 2.898 163 HG3 ARG 21 2HG ARG 21 -5.862 0.350 4.266 164 HD2 ARG 21 1HD ARG 21 -8.539 -1.033 4.056 165 HD3 ARG 21 2HD ARG 21 -7.142 -1.834 4.772 166 HE ARG 21 HE ARG 21 -7.179 0.515 6.150 167 HH11 ARG 21 1HH2 ARG 21 -9.629 -1.758 5.283 168 HH12 ARG 21 2HH2 ARG 21 -10.600 -1.444 6.682 169 HH21 ARG 21 1HH1 ARG 21 -8.433 0.930 7.983 170 HH22 ARG 21 2HH1 ARG 21 -9.923 0.076 8.211 171 H LEU 22 H LEU 22 -8.225 2.846 0.492 172 HA LEU 22 HA LEU 22 -10.724 3.828 1.291 173 HB2 LEU 22 1HB LEU 22 -8.699 4.435 -0.740 174 HB3 LEU 22 2HB LEU 22 -10.266 5.111 -1.051 175 HG LEU 22 HG LEU 22 -10.199 6.052 1.222 176 HD11 LEU 22 1HD1 LEU 22 -8.441 4.452 2.040 177 HD12 LEU 22 2HD1 LEU 22 -8.268 6.132 2.521 178 HD13 LEU 22 3HD1 LEU 22 -7.281 5.483 1.208 179 HD21 LEU 22 3HD2 LEU 22 -7.943 6.910 -0.556 180 HD22 LEU 22 1HD2 LEU 22 -8.769 7.917 0.633 181 HD23 LEU 22 2HD2 LEU 22 -9.634 7.349 -0.794 182 H CYS 23 H CYS 23 -9.811 2.727 -1.921 183 HA CYS 23 HA CYS 23 -12.478 2.453 -2.899 184 HB2 CYS 23 1HB CYS 23 -11.510 1.281 -4.766 185 HB3 CYS 23 2HB CYS 23 -10.366 2.535 -4.287 186 H GLN 24 H GLN 24 -10.650 0.440 -0.779 187 HA GLN 24 HA GLN 24 -12.378 -1.921 -1.302 188 HB2 GLN 24 1HB GLN 24 -9.948 -1.471 0.431 189 HB3 GLN 24 2HB GLN 24 -10.897 -2.953 0.499 190 HG2 GLN 24 1HG GLN 24 -10.479 -3.396 -1.849 191 HG3 GLN 24 2HG GLN 24 -9.675 -1.837 -2.040 192 HE21 GLN 24 2HE2 GLN 24 -8.484 -4.548 -2.460 193 HE22 GLN 24 1HE2 GLN 24 -7.172 -4.647 -1.387 194 H HIS 25 H HIS 25 -11.889 0.640 1.055 195 HA HIS 25 HA HIS 25 -13.765 -0.647 2.968 196 HB2 HIS 25 1HB HIS 25 -11.618 0.521 3.695 197 HB3 HIS 25 2HB HIS 25 -12.399 2.040 3.251 198 HD1 HIS 25 HD1 HIS 25 -12.796 -0.894 5.622 199 HD2 HIS 25 HD2 HIS 25 -14.276 2.973 5.114 200 HE1 HIS 25 HE1 HIS 25 -14.145 -0.361 7.701 201 HE2 HIS 25 HE2 HIS 25 -15.050 1.989 7.401 202 H TYR 26 H TYR 26 -13.468 2.727 1.800 203 HA TYR 26 HA TYR 26 -16.098 3.497 2.342 204 HB2 TYR 26 1HB TYR 26 -14.173 4.390 0.196 205 HB3 TYR 26 2HB TYR 26 -15.724 5.176 0.443 206 HD1 TYR 26 HD1 TYR 26 -16.215 5.687 3.096 207 HD2 TYR 26 HD2 TYR 26 -12.351 5.340 1.272 208 HE1 TYR 26 HE1 TYR 26 -15.213 6.980 4.959 209 HE2 TYR 26 HE2 TYR 26 -11.335 6.618 3.131 210 HH TYR 26 HH TYR 26 -11.700 7.583 5.103 211 H ILE 27 H ILE 27 -14.871 2.378 -0.840 212 HA ILE 27 HA ILE 27 -17.692 1.987 -1.708 213 HB ILE 27 HB ILE 27 -15.156 1.772 -3.347 214 HG12 ILE 27 1HG1 ILE 27 -16.323 4.174 -4.054 215 HG13 ILE 27 2HG1 ILE 27 -16.690 4.133 -2.343 216 HG21 ILE 27 1HG2 ILE 27 -17.022 0.692 -4.413 217 HG22 ILE 27 2HG2 ILE 27 -16.814 2.256 -5.200 218 HG23 ILE 27 3HG2 ILE 27 -18.100 2.031 -4.016 219 HD11 ILE 27 3HD1 ILE 27 -14.602 5.230 -2.509 220 HD12 ILE 27 1HD1 ILE 27 -13.983 4.048 -3.661 221 HD13 ILE 27 2HD1 ILE 27 -14.227 3.596 -1.974 222 H GLY 28 H GLY 28 -14.845 0.107 -2.721 223 HA2 GLY 28 1HA GLY 28 -14.633 -2.233 -1.669 224 HA3 GLY 28 2HA GLY 28 -16.356 -2.388 -1.990 225 H TRP 29 H TRP 29 -13.824 -0.953 -4.056 226 HA TRP 29 HA TRP 29 -13.690 -3.210 -5.844 227 HB2 TRP 29 1HB TRP 29 -16.050 -1.831 -6.120 228 HB3 TRP 29 2HB TRP 29 -15.046 -0.980 -7.291 229 HD1 TRP 29 HD1 TRP 29 -15.674 -4.728 -6.403 230 HE1 TRP 29 HE1 TRP 29 -15.870 -6.006 -8.646 231 HE3 TRP 29 HE3 TRP 29 -14.938 -0.898 -9.630 232 HZ2 TRP 29 HZ2 TRP 29 -15.731 -5.452 -11.439 233 HZ3 TRP 29 HZ3 TRP 29 -14.977 -1.263 -12.064 234 HH2 TRP 29 HH2 TRP 29 -15.369 -3.538 -12.995 235 H CYS 30 H CYS 30 -11.788 -3.003 -6.955 236 HA CYS 30 HA CYS 30 -10.782 -0.292 -7.640 237 HB2 CYS 30 1HB CYS 30 -8.825 -2.147 -6.320 238 HB3 CYS 30 2HB CYS 30 -8.864 -0.386 -6.343 239 HA PRO 31 HA PRO 31 -9.781 -3.401 -10.892 240 HB2 PRO 31 1HB PRO 31 -10.715 -2.073 -13.039 241 HB3 PRO 31 2HB PRO 31 -11.817 -2.887 -11.909 242 HG2 PRO 31 1HG PRO 31 -11.154 0.013 -12.138 243 HG3 PRO 31 2HG PRO 31 -12.712 -0.761 -11.809 244 HD2 PRO 31 1HD PRO 31 -11.024 0.328 -9.854 245 HD3 PRO 31 2HD PRO 31 -12.315 -0.852 -9.535 246 H PHE 32 H PHE 32 -7.718 -1.890 -9.812 247 HA PHE 32 HA PHE 32 -6.140 -1.320 -12.208 248 HB2 PHE 32 1HB PHE 32 -6.901 0.869 -10.266 249 HB3 PHE 32 2HB PHE 32 -5.480 0.982 -11.303 250 HD1 PHE 32 HD1 PHE 32 -5.795 0.731 -13.832 251 HD2 PHE 32 HD2 PHE 32 -9.063 1.357 -11.113 252 HE1 PHE 32 HE1 PHE 32 -7.225 1.472 -15.719 253 HE2 PHE 32 HE2 PHE 32 -10.491 2.097 -13.000 254 HZ PHE 32 HZ PHE 32 -9.572 2.154 -15.303 255 H TRP 33 H TRP 33 -6.134 -3.101 -9.820 256 HA TRP 33 HA TRP 33 -3.378 -2.472 -8.848 257 HB2 TRP 33 1HB TRP 33 -5.840 -3.133 -7.314 258 HB3 TRP 33 2HB TRP 33 -4.344 -3.823 -6.739 259 HD1 TRP 33 HD1 TRP 33 -2.772 -2.317 -5.449 260 HE1 TRP 33 HE1 TRP 33 -2.757 0.179 -4.777 261 HE3 TRP 33 HE3 TRP 33 -6.691 -0.645 -8.238 262 HZ2 TRP 33 HZ2 TRP 33 -4.213 2.551 -5.344 263 HZ3 TRP 33 HZ3 TRP 33 -7.367 1.737 -8.152 264 HH2 TRP 33 HH2 TRP 33 -6.135 3.340 -6.720 Start of MODEL 16 1 H1 ASN 1 1H ASN 1 13.342 -8.065 9.507 2 H2 ASN 1 2H ASN 1 14.277 -7.225 8.364 3 H3 ASN 1 3H ASN 1 14.596 -7.045 10.023 4 HA ASN 1 HA ASN 1 16.200 -8.554 9.635 5 HB2 ASN 1 1HB ASN 1 14.192 -9.665 10.911 6 HB3 ASN 1 2HB ASN 1 13.971 -10.579 9.417 7 HD21 ASN 1 2HD2 ASN 1 16.576 -9.722 11.768 8 HD22 ASN 1 1HD2 ASN 1 17.401 -11.196 11.612 9 H GLU 2 H GLU 2 13.525 -9.807 7.632 10 HA GLU 2 HA GLU 2 14.954 -11.157 5.698 11 HB2 GLU 2 1HB GLU 2 12.432 -10.882 5.853 12 HB3 GLU 2 2HB GLU 2 12.631 -9.340 5.022 13 HG2 GLU 2 1HG GLU 2 13.536 -10.407 3.073 14 HG3 GLU 2 2HG GLU 2 13.690 -11.951 3.912 15 H LEU 3 H LEU 3 16.252 -10.635 4.010 16 HA LEU 3 HA LEU 3 17.432 -8.016 3.867 17 HB2 LEU 3 1HB LEU 3 18.400 -10.329 3.159 18 HB3 LEU 3 2HB LEU 3 17.558 -10.041 1.640 19 HG LEU 3 HG LEU 3 18.780 -7.689 1.739 20 HD11 LEU 3 1HD1 LEU 3 21.048 -7.921 2.773 21 HD12 LEU 3 2HD1 LEU 3 20.523 -9.433 3.508 22 HD13 LEU 3 3HD1 LEU 3 19.750 -7.916 3.963 23 HD21 LEU 3 3HD2 LEU 3 20.705 -8.676 0.518 24 HD22 LEU 3 1HD2 LEU 3 19.172 -9.379 0.001 25 HD23 LEU 3 2HD2 LEU 3 20.230 -10.276 1.090 26 H ASP 4 H ASP 4 14.451 -8.416 3.296 27 HA ASP 4 HA ASP 4 13.976 -7.712 0.556 28 HB2 ASP 4 1HB ASP 4 11.729 -6.949 1.441 29 HB3 ASP 4 2HB ASP 4 12.151 -8.612 1.856 30 H VAL 5 H VAL 5 15.999 -6.107 0.993 31 HA VAL 5 HA VAL 5 15.838 -3.665 2.215 32 HB VAL 5 HB VAL 5 16.917 -4.284 -0.538 33 HG11 VAL 5 1HG1 VAL 5 17.084 -1.777 1.146 34 HG12 VAL 5 2HG1 VAL 5 16.583 -1.918 -0.540 35 HG13 VAL 5 3HG1 VAL 5 18.274 -2.157 -0.099 36 HG21 VAL 5 3HG2 VAL 5 19.058 -4.307 0.660 37 HG22 VAL 5 1HG2 VAL 5 17.938 -5.457 1.393 38 HG23 VAL 5 2HG2 VAL 5 18.232 -3.898 2.165 39 HA PRO 6 HA PRO 6 13.397 -2.046 -2.029 40 HB2 PRO 6 1HB PRO 6 11.441 -4.200 -1.334 41 HB3 PRO 6 2HB PRO 6 11.805 -3.461 -2.902 42 HG2 PRO 6 1HG PRO 6 12.870 -5.872 -1.931 43 HG3 PRO 6 2HG PRO 6 13.457 -4.957 -3.330 44 HD2 PRO 6 1HD PRO 6 14.893 -5.382 -0.946 45 HD3 PRO 6 2HD PRO 6 15.283 -4.174 -2.180 46 H GLU 7 H GLU 7 13.046 -0.262 -0.755 47 HA GLU 7 HA GLU 7 11.091 -0.395 1.449 48 HB2 GLU 7 1HB GLU 7 13.333 0.846 1.620 49 HB3 GLU 7 2HB GLU 7 12.614 2.052 0.553 50 HG2 GLU 7 1HG GLU 7 10.743 2.326 2.158 51 HG3 GLU 7 2HG GLU 7 11.514 1.165 3.237 52 H GLN 8 H GLN 8 11.660 1.576 -1.506 53 HA GLN 8 HA GLN 8 9.121 2.853 -1.457 54 HB2 GLN 8 1HB GLN 8 10.744 2.022 -3.885 55 HB3 GLN 8 2HB GLN 8 9.398 3.167 -3.899 56 HG2 GLN 8 1HG GLN 8 11.401 4.485 -3.792 57 HG3 GLN 8 2HG GLN 8 10.696 4.521 -2.175 58 HE21 GLN 8 2HE2 GLN 8 12.795 2.149 -3.923 59 HE22 GLN 8 1HE2 GLN 8 13.942 2.032 -2.678 60 H VAL 9 H VAL 9 9.939 -0.355 -1.756 61 HA VAL 9 HA VAL 9 7.632 -1.162 -3.367 62 HB VAL 9 HB VAL 9 9.871 -2.586 -1.920 63 HG11 VAL 9 1HG1 VAL 9 8.742 -4.757 -2.669 64 HG12 VAL 9 2HG1 VAL 9 7.268 -3.812 -2.879 65 HG13 VAL 9 3HG1 VAL 9 8.007 -3.953 -1.282 66 HG21 VAL 9 3HG2 VAL 9 8.842 -2.462 -4.768 67 HG22 VAL 9 1HG2 VAL 9 9.959 -3.718 -4.244 68 HG23 VAL 9 2HG2 VAL 9 10.435 -2.023 -4.152 69 H ASP 10 H ASP 10 8.704 -1.902 -0.044 70 HA ASP 10 HA ASP 10 6.282 -2.772 1.032 71 HB2 ASP 10 1HB ASP 10 8.302 -2.805 2.375 72 HB3 ASP 10 2HB ASP 10 8.433 -1.046 2.306 73 H LYS 11 H LYS 11 7.418 0.577 0.638 74 HA LYS 11 HA LYS 11 5.135 1.853 1.794 75 HB2 LYS 11 1HB LYS 11 7.039 2.757 -0.384 76 HB3 LYS 11 2HB LYS 11 5.787 3.792 0.299 77 HG2 LYS 11 1HG LYS 11 6.967 2.966 2.611 78 HG3 LYS 11 2HG LYS 11 8.350 2.844 1.528 79 HD2 LYS 11 1HD LYS 11 8.058 5.182 0.855 80 HD3 LYS 11 2HD LYS 11 6.618 5.307 1.865 81 HE2 LYS 11 1HE LYS 11 8.767 6.215 2.899 82 HE3 LYS 11 2HE LYS 11 7.889 5.037 3.875 83 HZ1 LYS 11 3HZ LYS 11 9.934 4.072 2.010 84 HZ2 LYS 11 1HZ LYS 11 9.439 3.426 3.499 85 HZ3 LYS 11 2HZ LYS 11 10.441 4.797 3.461 86 H LEU 12 H LEU 12 5.906 1.023 -1.579 87 HA LEU 12 HA LEU 12 3.447 1.807 -2.737 88 HB2 LEU 12 1HB LEU 12 5.674 -0.028 -3.383 89 HB3 LEU 12 2HB LEU 12 4.221 -0.239 -4.320 90 HG LEU 12 HG LEU 12 6.130 1.373 -5.153 91 HD11 LEU 12 1HD1 LEU 12 3.186 2.066 -5.191 92 HD12 LEU 12 2HD1 LEU 12 4.075 1.105 -6.371 93 HD13 LEU 12 3HD1 LEU 12 4.386 2.834 -6.230 94 HD21 LEU 12 3HD2 LEU 12 4.601 3.539 -3.750 95 HD22 LEU 12 1HD2 LEU 12 6.261 3.526 -4.341 96 HD23 LEU 12 2HD2 LEU 12 5.855 2.704 -2.850 97 H ILE 13 H ILE 13 4.516 -1.448 -1.694 98 HA ILE 13 HA ILE 13 2.085 -2.808 -1.966 99 HB ILE 13 HB ILE 13 4.130 -3.050 0.247 100 HG12 ILE 13 1HG1 ILE 13 3.886 -4.193 -2.541 101 HG13 ILE 13 2HG1 ILE 13 5.227 -3.307 -1.855 102 HG21 ILE 13 1HG2 ILE 13 1.918 -4.171 0.692 103 HG22 ILE 13 2HG2 ILE 13 3.267 -5.286 0.580 104 HG23 ILE 13 3HG2 ILE 13 2.156 -5.107 -0.781 105 HD11 ILE 13 3HD1 ILE 13 5.925 -5.564 -1.860 106 HD12 ILE 13 1HD1 ILE 13 4.370 -6.118 -1.239 107 HD13 ILE 13 2HD1 ILE 13 5.468 -5.217 -0.193 108 H GLN 14 H GLN 14 3.272 -1.025 0.878 109 HA GLN 14 HA GLN 14 0.998 -1.220 2.506 110 HB2 GLN 14 1HB GLN 14 3.177 0.761 2.161 111 HB3 GLN 14 2HB GLN 14 1.814 1.273 3.124 112 HG2 GLN 14 1HG GLN 14 2.139 -0.503 4.690 113 HG3 GLN 14 2HG GLN 14 3.261 -1.337 3.613 114 HE21 GLN 14 2HE2 GLN 14 3.859 1.985 3.416 115 HE22 GLN 14 1HE2 GLN 14 5.131 2.080 4.535 116 H GLN 15 H GLN 15 1.715 1.037 -0.131 117 HA GLN 15 HA GLN 15 -0.792 2.443 0.082 118 HB2 GLN 15 1HB GLN 15 1.477 2.332 -1.817 119 HB3 GLN 15 2HB GLN 15 -0.015 2.980 -2.446 120 HG2 GLN 15 1HG GLN 15 -0.052 4.576 -0.502 121 HG3 GLN 15 2HG GLN 15 1.538 3.965 -0.038 122 HE21 GLN 15 2HE2 GLN 15 1.526 3.755 -3.341 123 HE22 GLN 15 1HE2 GLN 15 2.188 5.270 -3.730 124 H ALA 16 H ALA 16 0.136 -0.604 -1.075 125 HA ALA 16 HA ALA 16 -2.029 -0.839 -3.058 126 HB1 ALA 16 3HB ALA 16 -0.345 -3.105 -1.977 127 HB2 ALA 16 1HB ALA 16 0.280 -1.986 -3.189 128 HB3 ALA 16 2HB ALA 16 -1.130 -2.976 -3.551 129 H THR 17 H THR 17 -1.464 -1.500 0.292 130 HA THR 17 HA THR 17 -3.891 -3.202 0.508 131 HB THR 17 HB THR 17 -3.138 -3.150 3.002 132 HG1 THR 17 HG1 THR 17 -0.833 -2.170 1.681 133 HG21 THR 17 3HG2 THR 17 -1.421 -4.395 0.840 134 HG22 THR 17 1HG2 THR 17 -2.838 -5.117 1.602 135 HG23 THR 17 2HG2 THR 17 -1.369 -4.853 2.543 136 H SER 18 H SER 18 -2.942 0.035 0.679 137 HA SER 18 HA SER 18 -5.111 0.855 2.501 138 HB2 SER 18 1HB SER 18 -2.685 2.118 1.385 139 HB3 SER 18 2HB SER 18 -4.032 3.181 1.754 140 HG SER 18 HG SER 18 -2.338 1.798 3.414 141 H ILE 19 H ILE 19 -3.924 2.085 -0.620 142 HA ILE 19 HA ILE 19 -6.023 3.490 -1.569 143 HB ILE 19 HB ILE 19 -4.310 1.492 -3.045 144 HG12 ILE 19 1HG1 ILE 19 -4.146 4.512 -2.781 145 HG13 ILE 19 2HG1 ILE 19 -3.216 3.388 -1.789 146 HG21 ILE 19 1HG2 ILE 19 -4.915 2.954 -5.018 147 HG22 ILE 19 2HG2 ILE 19 -6.176 3.656 -4.009 148 HG23 ILE 19 3HG2 ILE 19 -6.219 1.943 -4.410 149 HD11 ILE 19 3HD1 ILE 19 -2.358 2.386 -3.962 150 HD12 ILE 19 1HD1 ILE 19 -1.789 4.013 -3.595 151 HD13 ILE 19 2HD1 ILE 19 -3.076 3.774 -4.776 152 H GLU 20 H GLU 20 -5.864 0.043 -1.156 153 HA GLU 20 HA GLU 20 -8.373 -0.449 -2.629 154 HB2 GLU 20 1HB GLU 20 -8.014 -2.741 -2.243 155 HB3 GLU 20 2HB GLU 20 -6.377 -2.107 -2.367 156 HG2 GLU 20 1HG GLU 20 -6.378 -1.905 0.165 157 HG3 GLU 20 2HG GLU 20 -7.892 -2.812 0.161 158 H ARG 21 H ARG 21 -7.259 -0.461 0.740 159 HA ARG 21 HA ARG 21 -9.870 -0.920 1.861 160 HB2 ARG 21 1HB ARG 21 -7.201 0.004 2.901 161 HB3 ARG 21 2HB ARG 21 -8.622 0.157 3.934 162 HG2 ARG 21 1HG ARG 21 -8.922 -2.443 3.147 163 HG3 ARG 21 2HG ARG 21 -7.172 -2.304 3.038 164 HD2 ARG 21 1HD ARG 21 -7.349 -1.237 5.413 165 HD3 ARG 21 2HD ARG 21 -8.949 -1.976 5.441 166 HE ARG 21 HE ARG 21 -7.914 -4.107 5.598 167 HH11 ARG 21 1HH2 ARG 21 -5.699 -1.600 4.766 168 HH12 ARG 21 2HH2 ARG 21 -4.293 -2.587 4.984 169 HH21 ARG 21 1HH1 ARG 21 -6.090 -5.411 5.890 170 HH22 ARG 21 2HH1 ARG 21 -4.514 -4.745 5.619 171 H LEU 22 H LEU 22 -8.075 1.929 0.838 172 HA LEU 22 HA LEU 22 -9.615 3.879 2.138 173 HB2 LEU 22 1HB LEU 22 -7.743 3.718 -0.110 174 HB3 LEU 22 2HB LEU 22 -8.719 5.154 -0.025 175 HG LEU 22 HG LEU 22 -7.860 5.730 2.035 176 HD11 LEU 22 1HD1 LEU 22 -7.798 3.958 3.466 177 HD12 LEU 22 2HD1 LEU 22 -6.078 4.134 3.136 178 HD13 LEU 22 3HD1 LEU 22 -7.014 2.918 2.286 179 HD21 LEU 22 3HD2 LEU 22 -5.440 5.850 1.670 180 HD22 LEU 22 1HD2 LEU 22 -6.328 6.132 0.174 181 HD23 LEU 22 2HD2 LEU 22 -5.581 4.564 0.473 182 H CYS 23 H CYS 23 -9.630 3.146 -1.318 183 HA CYS 23 HA CYS 23 -11.960 4.447 -2.086 184 HB2 CYS 23 1HB CYS 23 -12.337 2.503 -3.729 185 HB3 CYS 23 2HB CYS 23 -10.782 3.328 -3.812 186 H GLN 24 H GLN 24 -11.909 1.060 -0.889 187 HA GLN 24 HA GLN 24 -14.639 0.543 -0.829 188 HB2 GLN 24 1HB GLN 24 -12.380 -0.243 1.004 189 HB3 GLN 24 2HB GLN 24 -14.026 -0.730 1.403 190 HG2 GLN 24 1HG GLN 24 -12.688 -2.411 0.035 191 HG3 GLN 24 2HG GLN 24 -14.254 -1.963 -0.638 192 HE21 GLN 24 2HE2 GLN 24 -11.065 -2.420 -1.517 193 HE22 GLN 24 1HE2 GLN 24 -11.009 -1.414 -2.883 194 H HIS 25 H HIS 25 -12.766 2.389 1.590 195 HA HIS 25 HA HIS 25 -15.282 3.086 3.020 196 HB2 HIS 25 1HB HIS 25 -13.284 2.421 4.342 197 HB3 HIS 25 2HB HIS 25 -12.401 3.785 3.663 198 HD1 HIS 25 HD1 HIS 25 -12.367 5.713 5.237 199 HD2 HIS 25 HD2 HIS 25 -15.944 3.582 5.515 200 HE1 HIS 25 HE1 HIS 25 -13.770 6.891 6.988 201 HE2 HIS 25 HE2 HIS 25 -15.948 5.604 7.165 202 H TYR 26 H TYR 26 -12.454 4.802 1.660 203 HA TYR 26 HA TYR 26 -13.552 7.414 1.800 204 HB2 TYR 26 1HB TYR 26 -11.426 6.148 0.080 205 HB3 TYR 26 2HB TYR 26 -11.872 7.837 -0.125 206 HD1 TYR 26 HD1 TYR 26 -11.135 5.474 2.675 207 HD2 TYR 26 HD2 TYR 26 -10.580 9.390 1.047 208 HE1 TYR 26 HE1 TYR 26 -9.627 6.025 4.559 209 HE2 TYR 26 HE2 TYR 26 -9.086 9.969 2.941 210 HH TYR 26 HH TYR 26 -7.562 8.564 4.568 211 H ILE 27 H ILE 27 -12.882 5.814 -1.297 212 HA ILE 27 HA ILE 27 -15.333 7.057 -2.440 213 HB ILE 27 HB ILE 27 -13.007 5.688 -3.824 214 HG12 ILE 27 1HG1 ILE 27 -12.729 8.282 -4.482 215 HG13 ILE 27 2HG1 ILE 27 -13.474 8.517 -2.910 216 HG21 ILE 27 1HG2 ILE 27 -15.375 7.300 -4.809 217 HG22 ILE 27 2HG2 ILE 27 -14.968 5.631 -5.210 218 HG23 ILE 27 3HG2 ILE 27 -13.962 6.952 -5.805 219 HD11 ILE 27 3HD1 ILE 27 -11.626 6.739 -2.175 220 HD12 ILE 27 1HD1 ILE 27 -11.233 8.448 -2.319 221 HD13 ILE 27 2HD1 ILE 27 -10.814 7.334 -3.617 222 H GLY 28 H GLY 28 -13.710 4.079 -3.490 223 HA2 GLY 28 1HA GLY 28 -14.986 1.930 -2.680 224 HA3 GLY 28 2HA GLY 28 -16.354 2.705 -3.484 225 H TRP 29 H TRP 29 -13.903 3.765 -5.282 226 HA TRP 29 HA TRP 29 -14.318 1.672 -7.324 227 HB2 TRP 29 1HB TRP 29 -14.285 4.293 -7.664 228 HB3 TRP 29 2HB TRP 29 -12.535 4.079 -7.708 229 HD1 TRP 29 HD1 TRP 29 -12.349 1.366 -9.314 230 HE1 TRP 29 HE1 TRP 29 -13.041 1.311 -11.804 231 HE3 TRP 29 HE3 TRP 29 -15.301 5.499 -9.488 232 HZ2 TRP 29 HZ2 TRP 29 -14.634 2.821 -13.614 233 HZ3 TRP 29 HZ3 TRP 29 -16.393 6.176 -11.580 234 HH2 TRP 29 HH2 TRP 29 -16.076 4.852 -13.663 235 H CYS 30 H CYS 30 -12.981 -0.046 -7.314 236 HA CYS 30 HA CYS 30 -10.097 0.334 -7.255 237 HB2 CYS 30 1HB CYS 30 -11.575 -0.702 -4.886 238 HB3 CYS 30 2HB CYS 30 -10.088 -1.548 -5.310 239 HA PRO 31 HA PRO 31 -11.163 -2.860 -10.343 240 HB2 PRO 31 1HB PRO 31 -8.182 -3.185 -10.056 241 HB3 PRO 31 2HB PRO 31 -9.179 -3.225 -11.524 242 HG2 PRO 31 1HG PRO 31 -7.831 -1.042 -10.894 243 HG3 PRO 31 2HG PRO 31 -9.479 -0.927 -11.538 244 HD2 PRO 31 1HD PRO 31 -8.519 -0.482 -8.746 245 HD3 PRO 31 2HD PRO 31 -9.901 0.252 -9.589 246 H PHE 32 H PHE 32 -8.329 -4.257 -8.661 247 HA PHE 32 HA PHE 32 -9.821 -5.932 -6.882 248 HB2 PHE 32 1HB PHE 32 -10.713 -7.005 -8.861 249 HB3 PHE 32 2HB PHE 32 -9.112 -7.114 -9.585 250 HD1 PHE 32 HD1 PHE 32 -10.909 -8.107 -6.438 251 HD2 PHE 32 HD2 PHE 32 -7.964 -9.150 -9.390 252 HE1 PHE 32 HE1 PHE 32 -10.582 -10.305 -5.338 253 HE2 PHE 32 HE2 PHE 32 -7.639 -11.346 -8.287 254 HZ PHE 32 HZ PHE 32 -8.947 -11.924 -6.262 255 H TRP 33 H TRP 33 -7.760 -4.889 -5.904 256 HA TRP 33 HA TRP 33 -5.135 -5.580 -6.500 257 HB2 TRP 33 1HB TRP 33 -6.596 -5.047 -3.971 258 HB3 TRP 33 2HB TRP 33 -5.005 -5.752 -3.809 259 HD1 TRP 33 HD1 TRP 33 -3.043 -4.221 -4.009 260 HE1 TRP 33 HE1 TRP 33 -2.676 -1.740 -4.636 261 HE3 TRP 33 HE3 TRP 33 -7.710 -3.054 -5.651 262 HZ2 TRP 33 HZ2 TRP 33 -4.171 0.434 -5.687 263 HZ3 TRP 33 HZ3 TRP 33 -8.217 -0.772 -6.465 264 HH2 TRP 33 HH2 TRP 33 -6.461 0.973 -6.497 Start of MODEL 17 1 H1 ASN 1 1H ASN 1 8.335 -15.927 -3.194 2 H2 ASN 1 2H ASN 1 7.595 -15.590 -1.702 3 H3 ASN 1 3H ASN 1 8.593 -16.954 -1.870 4 HA ASN 1 HA ASN 1 9.621 -15.009 -0.689 5 HB2 ASN 1 1HB ASN 1 10.947 -15.970 -3.246 6 HB3 ASN 1 2HB ASN 1 11.771 -15.305 -1.835 7 HD21 ASN 1 2HD2 ASN 1 10.210 -18.172 -3.135 8 HD22 ASN 1 1HD2 ASN 1 10.555 -19.187 -1.819 9 H GLU 2 H GLU 2 8.298 -13.072 -1.105 10 HA GLU 2 HA GLU 2 8.478 -11.640 -3.595 11 HB2 GLU 2 1HB GLU 2 7.802 -10.645 -0.840 12 HB3 GLU 2 2HB GLU 2 7.529 -9.752 -2.330 13 HG2 GLU 2 1HG GLU 2 6.115 -11.675 -3.131 14 HG3 GLU 2 2HG GLU 2 6.266 -12.387 -1.524 15 H LEU 3 H LEU 3 10.304 -10.730 -4.364 16 HA LEU 3 HA LEU 3 12.610 -10.262 -2.685 17 HB2 LEU 3 1HB LEU 3 12.480 -10.781 -5.246 18 HB3 LEU 3 2HB LEU 3 12.232 -9.046 -5.418 19 HG LEU 3 HG LEU 3 14.369 -8.897 -3.838 20 HD11 LEU 3 1HD1 LEU 3 14.920 -11.507 -5.269 21 HD12 LEU 3 2HD1 LEU 3 14.365 -11.453 -3.597 22 HD13 LEU 3 3HD1 LEU 3 15.903 -10.714 -4.039 23 HD21 LEU 3 3HD2 LEU 3 15.791 -8.797 -5.837 24 HD22 LEU 3 1HD2 LEU 3 14.220 -8.073 -6.182 25 HD23 LEU 3 2HD2 LEU 3 14.589 -9.698 -6.759 26 H ASP 4 H ASP 4 9.898 -8.712 -2.437 27 HA ASP 4 HA ASP 4 10.611 -5.940 -2.856 28 HB2 ASP 4 1HB ASP 4 8.619 -5.538 -1.299 29 HB3 ASP 4 2HB ASP 4 8.273 -6.437 -2.778 30 H VAL 5 H VAL 5 12.762 -6.042 -1.741 31 HA VAL 5 HA VAL 5 12.601 -6.129 1.213 32 HB VAL 5 HB VAL 5 15.081 -6.081 -0.503 33 HG11 VAL 5 1HG1 VAL 5 14.578 -6.865 2.382 34 HG12 VAL 5 2HG1 VAL 5 15.392 -5.395 1.845 35 HG13 VAL 5 3HG1 VAL 5 16.128 -6.970 1.547 36 HG21 VAL 5 3HG2 VAL 5 15.129 -8.516 -0.152 37 HG22 VAL 5 1HG2 VAL 5 13.657 -8.049 -1.004 38 HG23 VAL 5 2HG2 VAL 5 13.598 -8.430 0.718 39 HA PRO 6 HA PRO 6 14.873 -1.965 0.150 40 HB2 PRO 6 1HB PRO 6 13.139 -0.934 -1.990 41 HB3 PRO 6 2HB PRO 6 14.884 -0.805 -1.810 42 HG2 PRO 6 1HG PRO 6 13.805 -2.504 -3.571 43 HG3 PRO 6 2HG PRO 6 15.284 -2.895 -2.682 44 HD2 PRO 6 1HD PRO 6 12.489 -3.903 -2.212 45 HD3 PRO 6 2HD PRO 6 14.042 -4.758 -2.071 46 H GLU 7 H GLU 7 14.287 0.190 0.883 47 HA GLU 7 HA GLU 7 12.062 0.014 2.720 48 HB2 GLU 7 1HB GLU 7 13.746 2.441 2.052 49 HB3 GLU 7 2HB GLU 7 12.779 2.191 3.507 50 HG2 GLU 7 1HG GLU 7 15.116 0.442 2.683 51 HG3 GLU 7 2HG GLU 7 15.211 1.739 3.874 52 H GLN 8 H GLN 8 12.779 2.388 0.120 53 HA GLN 8 HA GLN 8 10.195 3.529 0.118 54 HB2 GLN 8 1HB GLN 8 11.792 3.118 -2.423 55 HB3 GLN 8 2HB GLN 8 10.686 4.433 -2.037 56 HG2 GLN 8 1HG GLN 8 12.736 5.479 -1.661 57 HG3 GLN 8 2HG GLN 8 12.379 4.879 -0.043 58 HE21 GLN 8 2HE2 GLN 8 12.996 2.069 -1.569 59 HE22 GLN 8 1HE2 GLN 8 14.679 1.969 -1.386 60 H VAL 9 H VAL 9 11.129 0.418 -0.569 61 HA VAL 9 HA VAL 9 8.906 -0.157 -2.409 62 HB VAL 9 HB VAL 9 11.271 -1.727 -1.287 63 HG11 VAL 9 1HG1 VAL 9 10.136 -3.729 -2.522 64 HG12 VAL 9 2HG1 VAL 9 8.630 -2.851 -2.276 65 HG13 VAL 9 3HG1 VAL 9 9.596 -3.352 -0.888 66 HG21 VAL 9 3HG2 VAL 9 11.531 -2.237 -3.701 67 HG22 VAL 9 1HG2 VAL 9 11.430 -0.495 -3.440 68 HG23 VAL 9 2HG2 VAL 9 10.037 -1.379 -4.057 69 H ASP 10 H ASP 10 9.972 -1.583 0.693 70 HA ASP 10 HA ASP 10 7.492 -2.669 1.436 71 HB2 ASP 10 1HB ASP 10 9.498 -3.112 2.755 72 HB3 ASP 10 2HB ASP 10 9.621 -1.410 3.204 73 H LYS 11 H LYS 11 8.677 0.677 1.824 74 HA LYS 11 HA LYS 11 6.409 1.626 3.307 75 HB2 LYS 11 1HB LYS 11 8.281 3.072 1.410 76 HB3 LYS 11 2HB LYS 11 7.081 3.875 2.422 77 HG2 LYS 11 1HG LYS 11 8.294 2.455 4.358 78 HG3 LYS 11 2HG LYS 11 9.639 2.515 3.220 79 HD2 LYS 11 1HD LYS 11 9.395 4.991 3.121 80 HD3 LYS 11 2HD LYS 11 8.121 4.882 4.335 81 HE2 LYS 11 1HE LYS 11 10.208 5.409 5.465 82 HE3 LYS 11 2HE LYS 11 9.757 3.752 5.867 83 HZ1 LYS 11 3HZ LYS 11 11.843 4.694 4.003 84 HZ2 LYS 11 1HZ LYS 11 11.203 3.129 3.878 85 HZ3 LYS 11 2HZ LYS 11 11.988 3.611 5.304 86 H LEU 12 H LEU 12 7.168 1.645 -0.168 87 HA LEU 12 HA LEU 12 4.762 2.744 -1.129 88 HB2 LEU 12 1HB LEU 12 6.891 0.955 -2.141 89 HB3 LEU 12 2HB LEU 12 5.435 0.997 -3.091 90 HG LEU 12 HG LEU 12 7.431 2.654 -3.598 91 HD11 LEU 12 1HD1 LEU 12 4.533 3.531 -3.516 92 HD12 LEU 12 2HD1 LEU 12 5.330 2.658 -4.824 93 HD13 LEU 12 3HD1 LEU 12 5.797 4.320 -4.462 94 HD21 LEU 12 3HD2 LEU 12 5.956 4.583 -1.838 95 HD22 LEU 12 1HD2 LEU 12 7.625 4.611 -2.399 96 HD23 LEU 12 2HD2 LEU 12 7.159 3.547 -1.087 97 H ILE 13 H ILE 13 5.629 -0.680 -0.692 98 HA ILE 13 HA ILE 13 3.100 -1.797 -1.228 99 HB ILE 13 HB ILE 13 5.251 -2.621 0.739 100 HG12 ILE 13 1HG1 ILE 13 4.779 -3.041 -2.211 101 HG13 ILE 13 2HG1 ILE 13 6.232 -2.509 -1.399 102 HG21 ILE 13 1HG2 ILE 13 4.301 -4.838 0.690 103 HG22 ILE 13 2HG2 ILE 13 3.103 -4.355 -0.511 104 HG23 ILE 13 3HG2 ILE 13 3.015 -3.724 1.131 105 HD11 ILE 13 3HD1 ILE 13 6.396 -4.794 -0.366 106 HD12 ILE 13 1HD1 ILE 13 6.604 -4.751 -2.115 107 HD13 ILE 13 2HD1 ILE 13 5.077 -5.291 -1.426 108 H GLN 14 H GLN 14 4.470 -0.923 1.947 109 HA GLN 14 HA GLN 14 2.129 -1.320 3.461 110 HB2 GLN 14 1HB GLN 14 4.611 0.269 3.792 111 HB3 GLN 14 2HB GLN 14 3.302 0.639 4.883 112 HG2 GLN 14 1HG GLN 14 3.222 -1.662 5.654 113 HG3 GLN 14 2HG GLN 14 4.403 -2.149 4.438 114 HE21 GLN 14 2HE2 GLN 14 5.509 0.809 5.272 115 HE22 GLN 14 1HE2 GLN 14 6.531 0.406 6.566 116 H GLN 15 H GLN 15 3.129 1.414 1.487 117 HA GLN 15 HA GLN 15 1.111 3.222 2.447 118 HB2 GLN 15 1HB GLN 15 2.948 3.085 0.129 119 HB3 GLN 15 2HB GLN 15 1.624 4.213 0.007 120 HG2 GLN 15 1HG GLN 15 2.331 5.212 2.182 121 HG3 GLN 15 2HG GLN 15 3.713 4.118 2.205 122 HE21 GLN 15 2HE2 GLN 15 3.700 7.127 1.985 123 HE22 GLN 15 1HE2 GLN 15 4.535 7.474 0.549 124 H ALA 16 H ALA 16 1.141 0.618 0.141 125 HA ALA 16 HA ALA 16 -1.095 1.259 -1.453 126 HB1 ALA 16 3HB ALA 16 -0.661 -1.547 -0.437 127 HB2 ALA 16 1HB ALA 16 0.518 -0.799 -1.517 128 HB3 ALA 16 2HB ALA 16 -1.151 -1.010 -2.046 129 H THR 17 H THR 17 -0.948 0.750 1.911 130 HA THR 17 HA THR 17 -3.402 -0.470 2.544 131 HB THR 17 HB THR 17 -3.360 1.135 4.564 132 HG1 THR 17 HG1 THR 17 -2.209 2.830 3.965 133 HG21 THR 17 3HG2 THR 17 -1.165 0.087 5.392 134 HG22 THR 17 1HG2 THR 17 -1.063 -0.672 3.803 135 HG23 THR 17 2HG2 THR 17 -2.426 -1.027 4.866 136 H SER 18 H SER 18 -2.713 2.818 1.494 137 HA SER 18 HA SER 18 -5.273 3.952 1.890 138 HB2 SER 18 1HB SER 18 -2.941 4.538 0.169 139 HB3 SER 18 2HB SER 18 -4.461 5.302 -0.269 140 HG SER 18 HG SER 18 -3.129 5.396 2.242 141 H ILE 19 H ILE 19 -3.946 2.977 -1.265 142 HA ILE 19 HA ILE 19 -6.198 2.926 -2.803 143 HB ILE 19 HB ILE 19 -3.944 0.913 -2.732 144 HG12 ILE 19 1HG1 ILE 19 -4.359 3.374 -4.452 145 HG13 ILE 19 2HG1 ILE 19 -3.388 3.372 -2.978 146 HG21 ILE 19 1HG2 ILE 19 -6.050 1.550 -4.789 147 HG22 ILE 19 2HG2 ILE 19 -5.735 -0.001 -4.014 148 HG23 ILE 19 3HG2 ILE 19 -4.574 0.663 -5.159 149 HD11 ILE 19 3HD1 ILE 19 -2.933 1.725 -5.468 150 HD12 ILE 19 1HD1 ILE 19 -2.045 1.491 -3.964 151 HD13 ILE 19 2HD1 ILE 19 -1.903 3.013 -4.844 152 H GLU 20 H GLU 20 -5.263 0.699 -0.304 153 HA GLU 20 HA GLU 20 -7.351 -1.268 -0.929 154 HB2 GLU 20 1HB GLU 20 -5.342 -0.913 1.298 155 HB3 GLU 20 2HB GLU 20 -6.664 -2.065 1.480 156 HG2 GLU 20 1HG GLU 20 -5.973 -3.262 -0.510 157 HG3 GLU 20 2HG GLU 20 -4.754 -2.041 -0.873 158 H ARG 21 H ARG 21 -6.766 1.182 1.599 159 HA ARG 21 HA ARG 21 -9.275 0.885 2.911 160 HB2 ARG 21 1HB ARG 21 -7.282 3.137 2.675 161 HB3 ARG 21 2HB ARG 21 -8.808 3.388 3.525 162 HG2 ARG 21 1HG ARG 21 -7.120 0.984 4.215 163 HG3 ARG 21 2HG ARG 21 -6.666 2.563 4.850 164 HD2 ARG 21 1HD ARG 21 -8.795 2.819 5.956 165 HD3 ARG 21 2HD ARG 21 -9.444 1.386 5.161 166 HE ARG 21 HE ARG 21 -8.340 0.067 6.775 167 HH11 ARG 21 1HH2 ARG 21 -7.074 3.270 6.624 168 HH12 ARG 21 2HH2 ARG 21 -6.055 3.075 8.011 169 HH21 ARG 21 1HH1 ARG 21 -7.014 -0.207 8.587 170 HH22 ARG 21 2HH1 ARG 21 -6.020 1.107 9.121 171 H LEU 22 H LEU 22 -8.260 2.653 0.046 172 HA LEU 22 HA LEU 22 -10.551 4.236 -0.350 173 HB2 LEU 22 1HB LEU 22 -8.274 3.260 -1.920 174 HB3 LEU 22 2HB LEU 22 -9.627 3.816 -2.855 175 HG LEU 22 HG LEU 22 -9.544 5.902 -1.600 176 HD11 LEU 22 1HD1 LEU 22 -8.316 4.911 0.371 177 HD12 LEU 22 2HD1 LEU 22 -7.837 6.514 -0.155 178 HD13 LEU 22 3HD1 LEU 22 -6.864 5.114 -0.600 179 HD21 LEU 22 3HD2 LEU 22 -7.090 5.070 -3.091 180 HD22 LEU 22 1HD2 LEU 22 -7.456 6.749 -2.693 181 HD23 LEU 22 2HD2 LEU 22 -8.531 5.841 -3.755 182 H CYS 23 H CYS 23 -9.601 1.377 -2.164 183 HA CYS 23 HA CYS 23 -12.130 0.884 -3.347 184 HB2 CYS 23 1HB CYS 23 -11.267 -1.273 -3.954 185 HB3 CYS 23 2HB CYS 23 -9.907 -0.154 -3.993 186 H GLN 24 H GLN 24 -11.107 0.408 -0.103 187 HA GLN 24 HA GLN 24 -13.253 -1.575 0.445 188 HB2 GLN 24 1HB GLN 24 -10.981 -0.444 2.075 189 HB3 GLN 24 2HB GLN 24 -12.276 -1.379 2.822 190 HG2 GLN 24 1HG GLN 24 -11.802 -3.261 1.303 191 HG3 GLN 24 2HG GLN 24 -10.510 -2.329 0.545 192 HE21 GLN 24 2HE2 GLN 24 -8.906 -3.937 1.273 193 HE22 GLN 24 1HE2 GLN 24 -8.416 -3.993 2.897 194 H HIS 25 H HIS 25 -12.464 1.816 0.947 195 HA HIS 25 HA HIS 25 -14.833 2.185 2.705 196 HB2 HIS 25 1HB HIS 25 -12.588 3.278 3.170 197 HB3 HIS 25 2HB HIS 25 -12.878 4.291 1.756 198 HD1 HIS 25 HD1 HIS 25 -13.686 3.975 5.322 199 HD2 HIS 25 HD2 HIS 25 -15.332 5.930 2.024 200 HE1 HIS 25 HE1 HIS 25 -15.292 5.707 6.241 201 HE2 HIS 25 HE2 HIS 25 -16.298 6.902 4.244 202 H TYR 26 H TYR 26 -13.570 4.093 -0.056 203 HA TYR 26 HA TYR 26 -15.977 5.347 -0.714 204 HB2 TYR 26 1HB TYR 26 -13.652 4.511 -2.446 205 HB3 TYR 26 2HB TYR 26 -14.980 5.489 -3.055 206 HD1 TYR 26 HD2 TYR 26 -15.627 7.552 -1.408 207 HD2 TYR 26 HD1 TYR 26 -11.795 5.639 -1.624 208 HE1 TYR 26 HE2 TYR 26 -14.564 9.562 -0.416 209 HE2 TYR 26 HE1 TYR 26 -10.722 7.636 -0.626 210 HH TYR 26 HH TYR 26 -11.133 9.586 0.454 211 H ILE 27 H ILE 27 -14.702 2.353 -2.267 212 HA ILE 27 HA ILE 27 -17.435 1.880 -3.367 213 HB ILE 27 HB ILE 27 -14.895 0.398 -4.057 214 HG12 ILE 27 1HG1 ILE 27 -15.348 2.126 -6.167 215 HG13 ILE 27 2HG1 ILE 27 -15.836 3.130 -4.814 216 HG21 ILE 27 1HG2 ILE 27 -16.116 -0.275 -6.017 217 HG22 ILE 27 2HG2 ILE 27 -17.433 0.840 -5.652 218 HG23 ILE 27 3HG2 ILE 27 -17.164 -0.572 -4.631 219 HD11 ILE 27 3HD1 ILE 27 -13.166 1.789 -5.216 220 HD12 ILE 27 1HD1 ILE 27 -13.656 2.561 -3.710 221 HD13 ILE 27 2HD1 ILE 27 -13.506 3.518 -5.181 222 H GLY 28 H GLY 28 -14.974 -0.562 -2.542 223 HA2 GLY 28 1HA GLY 28 -15.395 -1.850 -0.350 224 HA3 GLY 28 2HA GLY 28 -17.062 -1.965 -0.900 225 H TRP 29 H TRP 29 -14.153 -2.252 -2.923 226 HA TRP 29 HA TRP 29 -14.317 -5.156 -3.058 227 HB2 TRP 29 1HB TRP 29 -16.267 -4.140 -4.504 228 HB3 TRP 29 2HB TRP 29 -14.981 -3.758 -5.651 229 HD1 TRP 29 HD1 TRP 29 -16.289 -6.877 -3.721 230 HE1 TRP 29 HE1 TRP 29 -15.927 -8.918 -5.276 231 HE3 TRP 29 HE3 TRP 29 -13.954 -4.597 -7.594 232 HZ2 TRP 29 HZ2 TRP 29 -14.791 -9.483 -7.829 233 HZ3 TRP 29 HZ3 TRP 29 -13.242 -5.868 -9.572 234 HH2 TRP 29 HH2 TRP 29 -13.646 -8.322 -9.712 235 H CYS 30 H CYS 30 -12.283 -5.863 -3.560 236 HA CYS 30 HA CYS 30 -10.553 -4.191 -5.315 237 HB2 CYS 30 1HB CYS 30 -9.313 -5.289 -2.813 238 HB3 CYS 30 2HB CYS 30 -8.900 -3.841 -3.727 239 HA PRO 31 HA PRO 31 -9.986 -8.641 -6.289 240 HB2 PRO 31 1HB PRO 31 -9.500 -8.434 -8.930 241 HB3 PRO 31 2HB PRO 31 -11.133 -8.192 -8.272 242 HG2 PRO 31 1HG PRO 31 -9.113 -6.155 -9.110 243 HG3 PRO 31 2HG PRO 31 -10.862 -6.188 -9.401 244 HD2 PRO 31 1HD PRO 31 -9.653 -4.719 -7.375 245 HD3 PRO 31 2HD PRO 31 -11.348 -5.255 -7.338 246 H PHE 32 H PHE 32 -7.755 -6.013 -7.103 247 HA PHE 32 HA PHE 32 -5.542 -7.739 -7.762 248 HB2 PHE 32 1HB PHE 32 -6.035 -5.015 -7.951 249 HB3 PHE 32 2HB PHE 32 -4.848 -5.068 -6.656 250 HD1 PHE 32 HD1 PHE 32 -3.243 -7.477 -7.539 251 HD2 PHE 32 HD2 PHE 32 -4.780 -4.132 -9.757 252 HE1 PHE 32 HE1 PHE 32 -1.443 -7.760 -9.212 253 HE2 PHE 32 HE2 PHE 32 -2.974 -4.419 -11.432 254 HZ PHE 32 HZ PHE 32 -1.306 -6.233 -11.159 255 H TRP 33 H TRP 33 -7.122 -7.778 -5.008 256 HA TRP 33 HA TRP 33 -4.682 -8.074 -3.303 257 HB2 TRP 33 1HB TRP 33 -7.397 -6.993 -2.655 258 HB3 TRP 33 2HB TRP 33 -6.276 -7.504 -1.422 259 HD1 TRP 33 HD1 TRP 33 -4.418 -5.895 -0.774 260 HE1 TRP 33 HE1 TRP 33 -3.657 -3.560 -1.585 261 HE3 TRP 33 HE3 TRP 33 -7.293 -5.448 -4.951 262 HZ2 TRP 33 HZ2 TRP 33 -4.203 -1.754 -3.713 263 HZ3 TRP 33 HZ3 TRP 33 -7.165 -3.413 -6.355 264 HH2 TRP 33 HH2 TRP 33 -5.623 -1.565 -5.749 Start of MODEL 18 1 H1 ASN 1 1H ASN 1 19.617 -12.583 -0.813 2 H2 ASN 1 2H ASN 1 20.027 -14.073 -1.522 3 H3 ASN 1 3H ASN 1 20.947 -13.460 -0.230 4 HA ASN 1 HA ASN 1 18.918 -15.248 -0.014 5 HB2 ASN 1 1HB ASN 1 19.049 -14.560 2.460 6 HB3 ASN 1 2HB ASN 1 20.563 -15.037 1.693 7 HD21 ASN 1 2HD2 ASN 1 19.599 -12.043 0.440 8 HD22 ASN 1 1HD2 ASN 1 20.531 -11.039 1.442 9 H GLU 2 H GLU 2 18.289 -12.673 2.182 10 HA GLU 2 HA GLU 2 15.514 -12.673 1.873 11 HB2 GLU 2 1HB GLU 2 17.396 -10.518 2.767 12 HB3 GLU 2 2HB GLU 2 15.654 -10.281 2.793 13 HG2 GLU 2 1HG GLU 2 16.547 -11.095 4.979 14 HG3 GLU 2 2HG GLU 2 15.379 -12.208 4.265 15 H LEU 3 H LEU 3 14.954 -12.723 -0.362 16 HA LEU 3 HA LEU 3 15.844 -10.770 -2.261 17 HB2 LEU 3 1HB LEU 3 13.621 -12.770 -2.126 18 HB3 LEU 3 2HB LEU 3 13.541 -11.533 -3.380 19 HG LEU 3 HG LEU 3 16.130 -13.033 -2.991 20 HD11 LEU 3 1HD1 LEU 3 14.461 -14.799 -3.080 21 HD12 LEU 3 2HD1 LEU 3 15.340 -14.736 -4.608 22 HD13 LEU 3 3HD1 LEU 3 13.715 -14.060 -4.494 23 HD21 LEU 3 3HD2 LEU 3 14.767 -12.147 -5.545 24 HD22 LEU 3 1HD2 LEU 3 16.479 -12.480 -5.279 25 HD23 LEU 3 2HD2 LEU 3 15.741 -11.038 -4.582 26 H ASP 4 H ASP 4 14.079 -10.296 0.471 27 HA ASP 4 HA ASP 4 12.119 -8.390 -0.608 28 HB2 ASP 4 1HB ASP 4 11.789 -7.904 1.892 29 HB3 ASP 4 2HB ASP 4 11.400 -9.537 1.350 30 H VAL 5 H VAL 5 14.635 -7.631 -1.459 31 HA VAL 5 HA VAL 5 15.838 -5.735 0.349 32 HB VAL 5 HB VAL 5 16.203 -6.299 -2.598 33 HG11 VAL 5 1HG1 VAL 5 18.202 -4.732 -2.372 34 HG12 VAL 5 2HG1 VAL 5 17.433 -4.120 -0.907 35 HG13 VAL 5 3HG1 VAL 5 16.619 -3.959 -2.464 36 HG21 VAL 5 3HG2 VAL 5 17.955 -6.618 -0.148 37 HG22 VAL 5 1HG2 VAL 5 18.441 -7.007 -1.798 38 HG23 VAL 5 2HG2 VAL 5 17.144 -7.916 -1.024 39 HA PRO 6 HA PRO 6 13.304 -2.714 -2.711 40 HB2 PRO 6 1HB PRO 6 10.804 -4.327 -2.340 41 HB3 PRO 6 2HB PRO 6 11.307 -3.311 -3.709 42 HG2 PRO 6 1HG PRO 6 11.489 -5.912 -3.909 43 HG3 PRO 6 2HG PRO 6 12.832 -4.896 -4.475 44 HD2 PRO 6 1HD PRO 6 12.608 -6.470 -1.931 45 HD3 PRO 6 2HD PRO 6 14.004 -6.280 -3.008 46 H GLU 7 H GLU 7 13.460 -1.222 -1.095 47 HA GLU 7 HA GLU 7 11.813 -1.490 1.341 48 HB2 GLU 7 1HB GLU 7 14.124 -0.879 1.729 49 HB3 GLU 7 2HB GLU 7 13.999 0.464 0.592 50 HG2 GLU 7 1HG GLU 7 12.520 1.668 2.020 51 HG3 GLU 7 2HG GLU 7 12.226 0.253 3.031 52 H GLN 8 H GLN 8 12.530 1.114 -1.043 53 HA GLN 8 HA GLN 8 10.350 2.763 -0.299 54 HB2 GLN 8 1HB GLN 8 11.617 2.374 -3.028 55 HB3 GLN 8 2HB GLN 8 10.448 3.645 -2.655 56 HG2 GLN 8 1HG GLN 8 12.989 3.276 -1.055 57 HG3 GLN 8 2HG GLN 8 12.923 4.300 -2.490 58 HE21 GLN 8 2HE2 GLN 8 11.773 3.975 0.846 59 HE22 GLN 8 1HE2 GLN 8 11.154 5.550 0.972 60 H VAL 9 H VAL 9 10.356 -0.310 -1.542 61 HA VAL 9 HA VAL 9 7.784 -0.139 -2.940 62 HB VAL 9 HB VAL 9 9.769 -2.314 -2.283 63 HG11 VAL 9 1HG1 VAL 9 6.889 -2.677 -3.148 64 HG12 VAL 9 2HG1 VAL 9 7.730 -3.459 -1.809 65 HG13 VAL 9 3HG1 VAL 9 8.122 -3.896 -3.472 66 HG21 VAL 9 3HG2 VAL 9 10.299 -1.259 -4.322 67 HG22 VAL 9 1HG2 VAL 9 8.609 -1.123 -4.810 68 HG23 VAL 9 2HG2 VAL 9 9.407 -2.693 -4.828 69 H ASP 10 H ASP 10 8.960 -2.140 -0.249 70 HA ASP 10 HA ASP 10 6.528 -2.805 0.925 71 HB2 ASP 10 1HB ASP 10 8.613 -3.737 1.758 72 HB3 ASP 10 2HB ASP 10 9.174 -2.143 2.266 73 H LYS 11 H LYS 11 8.268 0.278 1.152 74 HA LYS 11 HA LYS 11 6.539 1.354 3.189 75 HB2 LYS 11 1HB LYS 11 8.617 2.405 3.087 76 HB3 LYS 11 2HB LYS 11 8.652 2.385 1.324 77 HG2 LYS 11 1HG LYS 11 7.336 4.263 1.134 78 HG3 LYS 11 2HG LYS 11 6.494 3.976 2.648 79 HD2 LYS 11 1HD LYS 11 8.383 4.699 3.933 80 HD3 LYS 11 2HD LYS 11 9.396 4.795 2.493 81 HE2 LYS 11 1HE LYS 11 8.333 6.997 3.417 82 HE3 LYS 11 2HE LYS 11 8.288 6.699 1.679 83 HZ1 LYS 11 3HZ LYS 11 6.073 6.251 1.714 84 HZ2 LYS 11 1HZ LYS 11 6.138 7.347 3.006 85 HZ3 LYS 11 2HZ LYS 11 6.085 5.677 3.312 86 H LEU 12 H LEU 12 6.824 1.650 -0.348 87 HA LEU 12 HA LEU 12 4.565 3.279 -0.812 88 HB2 LEU 12 1HB LEU 12 6.161 1.301 -2.316 89 HB3 LEU 12 2HB LEU 12 4.625 1.718 -3.022 90 HG LEU 12 HG LEU 12 6.809 3.050 -3.664 91 HD11 LEU 12 1HD1 LEU 12 5.413 5.100 -4.028 92 HD12 LEU 12 2HD1 LEU 12 4.157 4.364 -3.034 93 HD13 LEU 12 3HD1 LEU 12 4.633 3.608 -4.554 94 HD21 LEU 12 3HD2 LEU 12 7.552 4.761 -2.316 95 HD22 LEU 12 1HD2 LEU 12 7.067 3.632 -1.067 96 HD23 LEU 12 2HD2 LEU 12 6.002 4.958 -1.497 97 H ILE 13 H ILE 13 4.838 -0.281 -0.898 98 HA ILE 13 HA ILE 13 2.136 -0.944 -1.174 99 HB ILE 13 HB ILE 13 4.269 -2.249 0.537 100 HG12 ILE 13 1HG1 ILE 13 3.480 -2.428 -2.376 101 HG13 ILE 13 2HG1 ILE 13 5.060 -2.092 -1.700 102 HG21 ILE 13 1HG2 ILE 13 1.890 -2.990 1.017 103 HG22 ILE 13 2HG2 ILE 13 2.952 -4.263 0.436 104 HG23 ILE 13 3HG2 ILE 13 1.789 -3.516 -0.662 105 HD11 ILE 13 3HD1 ILE 13 5.165 -4.339 -2.438 106 HD12 ILE 13 1HD1 ILE 13 3.591 -4.717 -1.738 107 HD13 ILE 13 2HD1 ILE 13 4.976 -4.426 -0.687 108 H GLN 14 H GLN 14 3.927 -0.548 1.873 109 HA GLN 14 HA GLN 14 1.757 -0.661 3.650 110 HB2 GLN 14 1HB GLN 14 4.455 0.568 3.685 111 HB3 GLN 14 2HB GLN 14 3.362 1.072 4.948 112 HG2 GLN 14 1HG GLN 14 2.999 -1.321 5.541 113 HG3 GLN 14 2HG GLN 14 4.174 -1.780 4.308 114 HE21 GLN 14 2HE2 GLN 14 6.136 -2.258 5.297 115 HE22 GLN 14 1HE2 GLN 14 6.814 -1.395 6.592 116 H GLN 15 H GLN 15 3.074 2.125 1.877 117 HA GLN 15 HA GLN 15 1.177 3.986 2.997 118 HB2 GLN 15 1HB GLN 15 3.208 3.995 0.840 119 HB3 GLN 15 2HB GLN 15 1.984 5.245 0.753 120 HG2 GLN 15 1HG GLN 15 3.603 4.675 3.245 121 HG3 GLN 15 2HG GLN 15 4.099 5.857 2.032 122 HE21 GLN 15 2HE2 GLN 15 1.452 6.857 1.379 123 HE22 GLN 15 1HE2 GLN 15 0.874 7.703 2.732 124 H ALA 16 H ALA 16 1.054 1.610 0.528 125 HA ALA 16 HA ALA 16 -1.059 2.814 -1.048 126 HB1 ALA 16 3HB ALA 16 -1.174 0.729 -2.192 127 HB2 ALA 16 1HB ALA 16 -0.497 -0.148 -0.820 128 HB3 ALA 16 2HB ALA 16 0.527 0.928 -1.772 129 H THR 17 H THR 17 -0.966 1.501 2.051 130 HA THR 17 HA THR 17 -3.281 -0.001 2.381 131 HB THR 17 HB THR 17 -3.484 1.250 4.640 132 HG1 THR 17 HG1 THR 17 -1.897 2.881 3.316 133 HG21 THR 17 3HG2 THR 17 -1.242 0.275 5.397 134 HG22 THR 17 1HG2 THR 17 -0.981 -0.165 3.711 135 HG23 THR 17 2HG2 THR 17 -2.346 -0.842 4.597 136 H SER 18 H SER 18 -3.250 3.533 2.874 137 HA SER 18 HA SER 18 -5.882 4.160 3.032 138 HB2 SER 18 1HB SER 18 -3.616 5.471 1.668 139 HB3 SER 18 2HB SER 18 -5.214 6.114 1.329 140 HG SER 18 HG SER 18 -4.607 7.159 3.134 141 H ILE 19 H ILE 19 -4.363 4.152 -0.183 142 HA ILE 19 HA ILE 19 -6.569 4.261 -1.804 143 HB ILE 19 HB ILE 19 -4.033 2.662 -2.090 144 HG12 ILE 19 1HG1 ILE 19 -4.862 5.334 -3.255 145 HG13 ILE 19 2HG1 ILE 19 -3.938 5.170 -1.760 146 HG21 ILE 19 1HG2 ILE 19 -6.216 3.347 -4.054 147 HG22 ILE 19 2HG2 ILE 19 -5.580 1.754 -3.654 148 HG23 ILE 19 3HG2 ILE 19 -4.589 2.895 -4.558 149 HD11 ILE 19 3HD1 ILE 19 -2.244 3.838 -3.035 150 HD12 ILE 19 1HD1 ILE 19 -2.382 5.509 -3.576 151 HD13 ILE 19 2HD1 ILE 19 -3.132 4.217 -4.509 152 H GLU 20 H GLU 20 -5.462 1.573 0.132 153 HA GLU 20 HA GLU 20 -7.297 -0.327 -1.187 154 HB2 GLU 20 1HB GLU 20 -5.979 -1.920 -0.220 155 HB3 GLU 20 2HB GLU 20 -4.927 -0.605 0.286 156 HG2 GLU 20 1HG GLU 20 -6.316 -0.427 2.390 157 HG3 GLU 20 2HG GLU 20 -7.154 -1.892 1.882 158 H ARG 21 H ARG 21 -7.120 1.629 1.739 159 HA ARG 21 HA ARG 21 -9.543 0.553 2.888 160 HB2 ARG 21 1HB ARG 21 -7.866 3.013 3.386 161 HB3 ARG 21 2HB ARG 21 -9.422 2.816 4.192 162 HG2 ARG 21 1HG ARG 21 -7.416 0.563 4.273 163 HG3 ARG 21 2HG ARG 21 -7.218 1.938 5.356 164 HD2 ARG 21 1HD ARG 21 -9.195 1.483 6.518 165 HD3 ARG 21 2HD ARG 21 -9.902 0.585 5.177 166 HE ARG 21 HE ARG 21 -7.519 -0.676 6.316 167 HH11 ARG 21 1HH2 ARG 21 -10.939 -0.265 6.397 168 HH12 ARG 21 2HH2 ARG 21 -11.237 -1.783 7.175 169 HH21 ARG 21 1HH1 ARG 21 -7.888 -2.664 7.329 170 HH22 ARG 21 2HH1 ARG 21 -9.511 -3.141 7.702 171 H LEU 22 H LEU 22 -8.710 2.933 0.505 172 HA LEU 22 HA LEU 22 -11.076 4.431 0.480 173 HB2 LEU 22 1HB LEU 22 -8.776 3.970 -1.270 174 HB3 LEU 22 2HB LEU 22 -10.181 4.564 -2.100 175 HG LEU 22 HG LEU 22 -10.276 6.357 -0.412 176 HD11 LEU 22 1HD1 LEU 22 -7.460 5.786 0.301 177 HD12 LEU 22 2HD1 LEU 22 -8.788 5.074 1.217 178 HD13 LEU 22 3HD1 LEU 22 -8.643 6.821 1.108 179 HD21 LEU 22 3HD2 LEU 22 -7.925 6.106 -2.227 180 HD22 LEU 22 1HD2 LEU 22 -8.279 7.604 -1.369 181 HD23 LEU 22 2HD2 LEU 22 -9.441 6.951 -2.521 182 H CYS 23 H CYS 23 -10.066 1.993 -1.864 183 HA CYS 23 HA CYS 23 -12.497 1.631 -3.192 184 HB2 CYS 23 1HB CYS 23 -11.744 -0.791 -3.510 185 HB3 CYS 23 2HB CYS 23 -10.593 0.445 -4.018 186 H GLN 24 H GLN 24 -11.413 -0.348 -0.400 187 HA GLN 24 HA GLN 24 -13.750 -1.794 0.051 188 HB2 GLN 24 1HB GLN 24 -11.917 -0.539 2.117 189 HB3 GLN 24 2HB GLN 24 -13.109 -1.791 2.465 190 HG2 GLN 24 1HG GLN 24 -11.984 -3.289 0.834 191 HG3 GLN 24 2HG GLN 24 -10.765 -2.044 0.561 192 HE21 GLN 24 2HE2 GLN 24 -9.465 -1.377 2.539 193 HE22 GLN 24 1HE2 GLN 24 -9.188 -2.534 3.751 194 H HIS 25 H HIS 25 -13.118 1.601 0.859 195 HA HIS 25 HA HIS 25 -15.770 1.829 2.176 196 HB2 HIS 25 1HB HIS 25 -13.669 2.882 3.126 197 HB3 HIS 25 2HB HIS 25 -13.710 4.001 1.765 198 HD1 HIS 25 HD1 HIS 25 -14.907 6.116 2.280 199 HD2 HIS 25 HD2 HIS 25 -16.439 2.927 4.489 200 HE1 HIS 25 HE1 HIS 25 -16.742 7.072 3.745 201 HE2 HIS 25 HE2 HIS 25 -17.681 5.140 5.092 202 H TYR 26 H TYR 26 -14.089 4.012 -0.117 203 HA TYR 26 HA TYR 26 -16.391 5.277 -1.084 204 HB2 TYR 26 1HB TYR 26 -13.707 4.725 -2.340 205 HB3 TYR 26 2HB TYR 26 -14.942 5.630 -3.206 206 HD1 TYR 26 HD1 TYR 26 -15.893 7.755 -2.094 207 HD2 TYR 26 HD2 TYR 26 -12.416 5.720 -0.662 208 HE1 TYR 26 HE1 TYR 26 -15.230 9.779 -0.819 209 HE2 TYR 26 HE2 TYR 26 -11.725 7.733 0.624 210 HH TYR 26 HH TYR 26 -13.858 10.543 0.839 211 H ILE 27 H ILE 27 -14.622 2.816 -3.005 212 HA ILE 27 HA ILE 27 -17.121 2.267 -4.487 213 HB ILE 27 HB ILE 27 -14.353 1.094 -4.864 214 HG12 ILE 27 1HG1 ILE 27 -14.726 2.876 -6.933 215 HG13 ILE 27 2HG1 ILE 27 -15.552 3.724 -5.640 216 HG21 ILE 27 1HG2 ILE 27 -16.889 1.095 -6.508 217 HG22 ILE 27 2HG2 ILE 27 -15.964 -0.292 -5.935 218 HG23 ILE 27 3HG2 ILE 27 -15.311 0.735 -7.208 219 HD11 ILE 27 3HD1 ILE 27 -12.688 2.735 -5.631 220 HD12 ILE 27 1HD1 ILE 27 -13.498 3.442 -4.238 221 HD13 ILE 27 2HD1 ILE 27 -13.227 4.413 -5.679 222 H GLY 28 H GLY 28 -14.661 -0.126 -3.578 223 HA2 GLY 28 1HA GLY 28 -15.380 -1.674 -1.616 224 HA3 GLY 28 2HA GLY 28 -16.859 -1.883 -2.553 225 H TRP 29 H TRP 29 -13.497 -1.676 -3.714 226 HA TRP 29 HA TRP 29 -13.309 -4.520 -4.241 227 HB2 TRP 29 1HB TRP 29 -14.897 -3.256 -6.052 228 HB3 TRP 29 2HB TRP 29 -13.332 -2.996 -6.820 229 HD1 TRP 29 HD1 TRP 29 -15.155 -6.031 -5.179 230 HE1 TRP 29 HE1 TRP 29 -14.677 -8.090 -6.675 231 HE3 TRP 29 HE3 TRP 29 -12.196 -3.873 -8.674 232 HZ2 TRP 29 HZ2 TRP 29 -13.226 -8.714 -9.047 233 HZ3 TRP 29 HZ3 TRP 29 -11.278 -5.184 -10.544 234 HH2 TRP 29 HH2 TRP 29 -11.776 -7.614 -10.749 235 H CYS 30 H CYS 30 -11.176 -4.829 -3.879 236 HA CYS 30 HA CYS 30 -9.210 -2.872 -5.025 237 HB2 CYS 30 1HB CYS 30 -8.568 -4.280 -2.452 238 HB3 CYS 30 2HB CYS 30 -8.084 -2.681 -3.009 239 HA PRO 31 HA PRO 31 -8.118 -7.160 -6.297 240 HB2 PRO 31 1HB PRO 31 -7.622 -6.709 -8.909 241 HB3 PRO 31 2HB PRO 31 -9.280 -6.806 -8.282 242 HG2 PRO 31 1HG PRO 31 -7.669 -4.398 -8.994 243 HG3 PRO 31 2HG PRO 31 -9.392 -4.716 -9.254 244 HD2 PRO 31 1HD PRO 31 -8.352 -3.191 -7.149 245 HD3 PRO 31 2HD PRO 31 -9.970 -3.928 -7.161 246 H PHE 32 H PHE 32 -6.246 -5.365 -4.961 247 HA PHE 32 HA PHE 32 -3.794 -6.412 -6.141 248 HB2 PHE 32 1HB PHE 32 -4.151 -4.379 -7.505 249 HB3 PHE 32 2HB PHE 32 -4.199 -3.412 -6.035 250 HD1 PHE 32 HD1 PHE 32 -2.029 -5.965 -7.720 251 HD2 PHE 32 HD2 PHE 32 -2.207 -2.428 -5.287 252 HE1 PHE 32 HE1 PHE 32 0.448 -5.821 -7.748 253 HE2 PHE 32 HE2 PHE 32 0.268 -2.285 -5.315 254 HZ PHE 32 HZ PHE 32 1.595 -3.981 -6.545 255 H TRP 33 H TRP 33 -5.300 -6.417 -3.564 256 HA TRP 33 HA TRP 33 -3.028 -5.658 -1.810 257 HB2 TRP 33 1HB TRP 33 -5.909 -4.905 -1.500 258 HB3 TRP 33 2HB TRP 33 -4.836 -4.976 -0.133 259 HD1 TRP 33 HD1 TRP 33 -3.042 -3.145 0.106 260 HE1 TRP 33 HE1 TRP 33 -2.624 -0.890 -1.089 261 HE3 TRP 33 HE3 TRP 33 -6.162 -3.688 -3.878 262 HZ2 TRP 33 HZ2 TRP 33 -3.509 0.485 -3.413 263 HZ3 TRP 33 HZ3 TRP 33 -6.368 -1.888 -5.570 264 HH2 TRP 33 HH2 TRP 33 -5.045 0.198 -5.345 Start of MODEL 19 1 H1 ASN 1 1H ASN 1 21.817 -8.011 -4.886 2 H2 ASN 1 2H ASN 1 20.354 -8.516 -4.186 3 H3 ASN 1 3H ASN 1 21.717 -9.528 -4.135 4 HA ASN 1 HA ASN 1 22.777 -8.286 -2.529 5 HB2 ASN 1 1HB ASN 1 20.827 -6.015 -2.950 6 HB3 ASN 1 2HB ASN 1 22.391 -5.976 -2.134 7 HD21 ASN 1 2HD2 ASN 1 24.197 -7.001 -3.834 8 HD22 ASN 1 1HD2 ASN 1 24.176 -6.230 -5.347 9 H GLU 2 H GLU 2 20.936 -6.526 -0.859 10 HA GLU 2 HA GLU 2 19.979 -8.374 0.978 11 HB2 GLU 2 1HB GLU 2 18.936 -5.666 0.230 12 HB3 GLU 2 2HB GLU 2 18.264 -6.578 1.575 13 HG2 GLU 2 1HG GLU 2 21.219 -5.973 1.303 14 HG3 GLU 2 2HG GLU 2 20.106 -4.935 2.194 15 H LEU 3 H LEU 3 18.736 -10.122 0.494 16 HA LEU 3 HA LEU 3 16.994 -10.429 -1.671 17 HB2 LEU 3 1HB LEU 3 17.643 -12.317 -0.256 18 HB3 LEU 3 2HB LEU 3 16.788 -11.616 1.115 19 HG LEU 3 HG LEU 3 14.648 -11.909 0.011 20 HD11 LEU 3 1HD1 LEU 3 16.375 -12.609 -2.364 21 HD12 LEU 3 2HD1 LEU 3 15.011 -11.496 -2.280 22 HD13 LEU 3 3HD1 LEU 3 14.729 -13.233 -2.248 23 HD21 LEU 3 3HD2 LEU 3 16.260 -14.439 -0.417 24 HD22 LEU 3 1HD2 LEU 3 14.546 -14.316 -0.018 25 HD23 LEU 3 2HD2 LEU 3 15.764 -13.865 1.175 26 H ASP 4 H ASP 4 16.678 -8.398 1.008 27 HA ASP 4 HA ASP 4 13.711 -8.169 0.721 28 HB2 ASP 4 1HB ASP 4 13.864 -6.765 2.759 29 HB3 ASP 4 2HB ASP 4 14.567 -8.361 3.015 30 H VAL 5 H VAL 5 14.777 -7.250 -1.536 31 HA VAL 5 HA VAL 5 15.648 -4.505 -1.390 32 HB VAL 5 HB VAL 5 14.478 -5.787 -3.860 33 HG11 VAL 5 1HG1 VAL 5 15.202 -3.332 -3.729 34 HG12 VAL 5 2HG1 VAL 5 15.921 -4.296 -5.019 35 HG13 VAL 5 3HG1 VAL 5 16.849 -3.939 -3.562 36 HG21 VAL 5 3HG2 VAL 5 17.269 -6.145 -2.720 37 HG22 VAL 5 1HG2 VAL 5 16.738 -6.693 -4.309 38 HG23 VAL 5 2HG2 VAL 5 16.046 -7.409 -2.855 39 HA PRO 6 HA PRO 6 10.937 -3.899 -2.785 40 HB2 PRO 6 1HB PRO 6 9.816 -5.787 -0.767 41 HB3 PRO 6 2HB PRO 6 9.250 -5.422 -2.406 42 HG2 PRO 6 1HG PRO 6 10.494 -7.699 -1.899 43 HG3 PRO 6 2HG PRO 6 10.837 -6.803 -3.393 44 HD2 PRO 6 1HD PRO 6 12.467 -6.952 -0.872 45 HD3 PRO 6 2HD PRO 6 13.009 -6.980 -2.564 46 H GLU 7 H GLU 7 12.449 -2.460 -1.114 47 HA GLU 7 HA GLU 7 11.149 -2.082 1.477 48 HB2 GLU 7 1HB GLU 7 13.326 -0.512 0.060 49 HB3 GLU 7 2HB GLU 7 12.747 -0.156 1.688 50 HG2 GLU 7 1HG GLU 7 13.343 -2.508 2.344 51 HG3 GLU 7 2HG GLU 7 14.075 -2.715 0.752 52 H GLN 8 H GLN 8 11.782 0.214 -1.222 53 HA GLN 8 HA GLN 8 9.751 2.027 -0.439 54 HB2 GLN 8 1HB GLN 8 10.731 1.417 -3.247 55 HB3 GLN 8 2HB GLN 8 9.775 2.831 -2.791 56 HG2 GLN 8 1HG GLN 8 12.417 2.179 -1.469 57 HG3 GLN 8 2HG GLN 8 12.312 3.178 -2.919 58 HE21 GLN 8 2HE2 GLN 8 11.366 3.023 0.515 59 HE22 GLN 8 1HE2 GLN 8 11.026 4.679 0.667 60 H VAL 9 H VAL 9 9.505 -1.112 -1.487 61 HA VAL 9 HA VAL 9 6.883 -0.891 -2.778 62 HB VAL 9 HB VAL 9 8.546 -3.232 -1.801 63 HG11 VAL 9 1HG1 VAL 9 6.804 -4.599 -3.095 64 HG12 VAL 9 2HG1 VAL 9 5.773 -3.171 -2.983 65 HG13 VAL 9 3HG1 VAL 9 6.323 -3.981 -1.512 66 HG21 VAL 9 3HG2 VAL 9 7.687 -2.616 -4.627 67 HG22 VAL 9 1HG2 VAL 9 8.999 -3.664 -4.082 68 HG23 VAL 9 2HG2 VAL 9 9.148 -1.913 -3.933 69 H ASP 10 H ASP 10 8.035 -2.655 0.065 70 HA ASP 10 HA ASP 10 5.646 -3.059 1.413 71 HB2 ASP 10 1HB ASP 10 7.704 -3.990 2.241 72 HB3 ASP 10 2HB ASP 10 8.411 -2.389 2.476 73 H LYS 11 H LYS 11 7.696 -0.145 1.487 74 HA LYS 11 HA LYS 11 6.035 1.335 3.296 75 HB2 LYS 11 1HB LYS 11 8.150 2.013 1.275 76 HB3 LYS 11 2HB LYS 11 7.130 3.326 1.857 77 HG2 LYS 11 1HG LYS 11 9.094 3.217 3.257 78 HG3 LYS 11 2HG LYS 11 7.711 2.680 4.200 79 HD2 LYS 11 1HD LYS 11 8.955 0.407 2.831 80 HD3 LYS 11 2HD LYS 11 10.145 1.268 3.795 81 HE2 LYS 11 1HE LYS 11 8.747 1.061 5.785 82 HE3 LYS 11 2HE LYS 11 7.464 0.306 4.840 83 HZ1 LYS 11 3HZ LYS 11 10.127 -0.891 4.716 84 HZ2 LYS 11 1HZ LYS 11 8.603 -1.632 4.663 85 HZ3 LYS 11 2HZ LYS 11 9.239 -1.107 6.148 86 H LEU 12 H LEU 12 6.187 1.254 -0.270 87 HA LEU 12 HA LEU 12 4.001 2.957 -0.793 88 HB2 LEU 12 1HB LEU 12 5.389 0.743 -2.177 89 HB3 LEU 12 2HB LEU 12 3.845 1.193 -2.838 90 HG LEU 12 HG LEU 12 6.086 2.312 -3.702 91 HD11 LEU 12 1HD1 LEU 12 4.807 4.316 -4.342 92 HD12 LEU 12 2HD1 LEU 12 3.593 3.931 -3.123 93 HD13 LEU 12 3HD1 LEU 12 3.829 2.857 -4.501 94 HD21 LEU 12 3HD2 LEU 12 6.485 3.155 -1.197 95 HD22 LEU 12 1HD2 LEU 12 5.454 4.480 -1.726 96 HD23 LEU 12 2HD2 LEU 12 6.955 4.127 -2.576 97 H ILE 13 H ILE 13 4.042 -0.598 -0.517 98 HA ILE 13 HA ILE 13 1.279 -1.065 -0.587 99 HB ILE 13 HB ILE 13 3.418 -2.380 1.109 100 HG12 ILE 13 1HG1 ILE 13 2.421 -2.747 -1.722 101 HG13 ILE 13 2HG1 ILE 13 4.064 -2.500 -1.174 102 HG21 ILE 13 1HG2 ILE 13 1.033 -2.878 1.809 103 HG22 ILE 13 2HG2 ILE 13 1.952 -4.280 1.287 104 HG23 ILE 13 3HG2 ILE 13 0.773 -3.546 0.199 105 HD11 ILE 13 3HD1 ILE 13 3.929 -4.799 -1.712 106 HD12 ILE 13 1HD1 ILE 13 2.380 -4.972 -0.888 107 HD13 ILE 13 2HD1 ILE 13 3.854 -4.720 0.047 108 H GLN 14 H GLN 14 3.273 -0.576 2.326 109 HA GLN 14 HA GLN 14 1.166 -0.323 4.173 110 HB2 GLN 14 1HB GLN 14 4.012 0.494 4.082 111 HB3 GLN 14 2HB GLN 14 3.040 1.252 5.319 112 HG2 GLN 14 1HG GLN 14 4.066 -0.771 6.219 113 HG3 GLN 14 2HG GLN 14 2.326 -1.014 6.089 114 HE21 GLN 14 2HE2 GLN 14 5.012 -2.754 5.711 115 HE22 GLN 14 1HE2 GLN 14 4.606 -3.704 4.364 116 H GLN 15 H GLN 15 2.625 2.117 2.056 117 HA GLN 15 HA GLN 15 1.115 4.287 3.241 118 HB2 GLN 15 1HB GLN 15 2.934 3.940 0.928 119 HB3 GLN 15 2HB GLN 15 1.900 5.351 0.913 120 HG2 GLN 15 1HG GLN 15 2.767 5.952 3.172 121 HG3 GLN 15 2HG GLN 15 3.848 4.560 3.098 122 HE21 GLN 15 2HE2 GLN 15 4.118 5.100 0.056 123 HE22 GLN 15 1HE2 GLN 15 5.241 6.371 -0.026 124 H ALA 16 H ALA 16 0.880 2.489 0.179 125 HA ALA 16 HA ALA 16 -1.430 3.740 -0.838 126 HB1 ALA 16 3HB ALA 16 -1.082 0.757 -1.097 127 HB2 ALA 16 1HB ALA 16 0.079 1.849 -1.856 128 HB3 ALA 16 2HB ALA 16 -1.626 1.927 -2.304 129 H THR 17 H THR 17 -1.093 2.045 2.061 130 HA THR 17 HA THR 17 -3.384 0.546 2.483 131 HB THR 17 HB THR 17 -3.409 1.639 4.828 132 HG1 THR 17 HG1 THR 17 -0.916 2.660 4.179 133 HG21 THR 17 3HG2 THR 17 -2.272 -0.424 4.612 134 HG22 THR 17 1HG2 THR 17 -1.075 0.661 5.318 135 HG23 THR 17 2HG2 THR 17 -1.015 0.280 3.597 136 H SER 18 H SER 18 -3.145 3.914 1.838 137 HA SER 18 HA SER 18 -5.853 4.589 2.668 138 HB2 SER 18 1HB SER 18 -3.581 5.954 1.353 139 HB3 SER 18 2HB SER 18 -5.177 6.612 1.046 140 HG SER 18 HG SER 18 -3.672 7.005 3.145 141 H ILE 19 H ILE 19 -4.321 4.870 -0.506 142 HA ILE 19 HA ILE 19 -6.500 4.933 -2.172 143 HB ILE 19 HB ILE 19 -4.023 3.267 -2.697 144 HG12 ILE 19 1HG1 ILE 19 -4.445 6.275 -2.767 145 HG13 ILE 19 2HG1 ILE 19 -3.257 5.391 -1.812 146 HG21 ILE 19 1HG2 ILE 19 -4.439 3.787 -4.973 147 HG22 ILE 19 2HG2 ILE 19 -5.640 5.004 -4.546 148 HG23 ILE 19 3HG2 ILE 19 -5.988 3.297 -4.299 149 HD11 ILE 19 3HD1 ILE 19 -2.328 4.529 -4.025 150 HD12 ILE 19 1HD1 ILE 19 -2.054 6.237 -3.674 151 HD13 ILE 19 2HD1 ILE 19 -3.327 5.762 -4.798 152 H GLU 20 H GLU 20 -5.024 2.144 -0.649 153 HA GLU 20 HA GLU 20 -6.769 0.234 -1.993 154 HB2 GLU 20 1HB GLU 20 -5.463 -1.389 -1.025 155 HB3 GLU 20 2HB GLU 20 -4.391 -0.044 -0.662 156 HG2 GLU 20 1HG GLU 20 -5.511 0.185 1.561 157 HG3 GLU 20 2HG GLU 20 -6.468 -1.249 1.193 158 H ARG 21 H ARG 21 -6.702 1.743 1.247 159 HA ARG 21 HA ARG 21 -9.053 0.503 2.244 160 HB2 ARG 21 1HB ARG 21 -7.633 3.105 2.761 161 HB3 ARG 21 2HB ARG 21 -9.226 2.863 3.473 162 HG2 ARG 21 1HG ARG 21 -7.319 0.587 3.823 163 HG3 ARG 21 2HG ARG 21 -6.883 2.067 4.669 164 HD2 ARG 21 1HD ARG 21 -8.243 0.685 6.131 165 HD3 ARG 21 2HD ARG 21 -9.157 2.124 5.685 166 HE ARG 21 HE ARG 21 -9.974 0.324 3.793 167 HH11 ARG 21 1HH2 ARG 21 -9.625 0.234 7.222 168 HH12 ARG 21 2HH2 ARG 21 -10.889 -0.925 7.455 169 HH21 ARG 21 1HH1 ARG 21 -11.627 -1.194 4.078 170 HH22 ARG 21 2HH1 ARG 21 -12.023 -1.735 5.675 171 H LEU 22 H LEU 22 -8.518 3.367 0.244 172 HA LEU 22 HA LEU 22 -11.129 4.336 0.022 173 HB2 LEU 22 1HB LEU 22 -8.673 4.404 -1.599 174 HB3 LEU 22 2HB LEU 22 -10.122 4.885 -2.419 175 HG LEU 22 HG LEU 22 -10.495 6.434 -0.476 176 HD11 LEU 22 1HD1 LEU 22 -7.574 6.092 -0.035 177 HD12 LEU 22 2HD1 LEU 22 -8.783 5.267 0.945 178 HD13 LEU 22 3HD1 LEU 22 -8.714 7.024 0.930 179 HD21 LEU 22 3HD2 LEU 22 -8.971 8.144 -1.396 180 HD22 LEU 22 1HD2 LEU 22 -9.798 7.233 -2.659 181 HD23 LEU 22 2HD2 LEU 22 -8.120 6.865 -2.262 182 H CYS 23 H CYS 23 -9.422 2.241 -2.213 183 HA CYS 23 HA CYS 23 -11.583 1.570 -3.887 184 HB2 CYS 23 1HB CYS 23 -10.200 -0.100 -4.788 185 HB3 CYS 23 2HB CYS 23 -9.044 1.041 -4.110 186 H GLN 24 H GLN 24 -10.686 0.147 -0.762 187 HA GLN 24 HA GLN 24 -12.768 -1.948 -1.089 188 HB2 GLN 24 1HB GLN 24 -11.609 -3.159 0.487 189 HB3 GLN 24 2HB GLN 24 -10.299 -2.106 -0.032 190 HG2 GLN 24 1HG GLN 24 -11.085 -0.522 1.857 191 HG3 GLN 24 2HG GLN 24 -11.985 -1.910 2.461 192 HE21 GLN 24 2HE2 GLN 24 -9.841 -3.793 1.386 193 HE22 GLN 24 1HE2 GLN 24 -8.563 -3.669 2.495 194 H HIS 25 H HIS 25 -12.276 1.069 0.604 195 HA HIS 25 HA HIS 25 -14.527 0.566 2.442 196 HB2 HIS 25 1HB HIS 25 -12.415 1.916 3.001 197 HB3 HIS 25 2HB HIS 25 -13.111 3.202 2.017 198 HD1 HIS 25 HD1 HIS 25 -12.824 2.540 5.384 199 HD2 HIS 25 HD2 HIS 25 -16.176 3.272 3.011 200 HE1 HIS 25 HE1 HIS 25 -14.661 3.306 6.954 201 HE2 HIS 25 HE2 HIS 25 -16.705 3.754 5.519 202 H TYR 26 H TYR 26 -13.905 3.333 0.247 203 HA TYR 26 HA TYR 26 -16.742 3.894 0.074 204 HB2 TYR 26 1HB TYR 26 -14.556 5.018 -1.680 205 HB3 TYR 26 2HB TYR 26 -16.092 5.762 -1.255 206 HD1 TYR 26 HD2 TYR 26 -16.485 5.749 1.471 207 HD2 TYR 26 HD1 TYR 26 -12.701 5.902 -0.558 208 HE1 TYR 26 HE2 TYR 26 -15.444 6.758 3.481 209 HE2 TYR 26 HE1 TYR 26 -11.663 6.905 1.451 210 HH TYR 26 HH TYR 26 -12.377 8.207 3.434 211 H ILE 27 H ILE 27 -14.343 2.695 -2.308 212 HA ILE 27 HA ILE 27 -16.400 2.359 -4.339 213 HB ILE 27 HB ILE 27 -13.746 0.964 -4.438 214 HG12 ILE 27 1HG1 ILE 27 -13.198 3.174 -3.591 215 HG13 ILE 27 2HG1 ILE 27 -12.729 3.055 -5.286 216 HG21 ILE 27 1HG2 ILE 27 -15.364 0.664 -6.275 217 HG22 ILE 27 2HG2 ILE 27 -13.898 1.484 -6.811 218 HG23 ILE 27 3HG2 ILE 27 -15.371 2.410 -6.524 219 HD11 ILE 27 3HD1 ILE 27 -13.841 5.149 -4.961 220 HD12 ILE 27 1HD1 ILE 27 -15.193 4.362 -4.157 221 HD13 ILE 27 2HD1 ILE 27 -14.920 4.102 -5.875 222 H GLY 28 H GLY 28 -14.226 -0.200 -3.143 223 HA2 GLY 28 1HA GLY 28 -15.362 -2.077 -1.808 224 HA3 GLY 28 2HA GLY 28 -16.571 -2.072 -3.093 225 H TRP 29 H TRP 29 -14.715 -1.602 -5.256 226 HA TRP 29 HA TRP 29 -13.647 -4.355 -5.508 227 HB2 TRP 29 1HB TRP 29 -15.016 -2.996 -7.307 228 HB3 TRP 29 2HB TRP 29 -13.457 -2.248 -7.667 229 HD1 TRP 29 HD1 TRP 29 -14.971 -5.819 -7.408 230 HE1 TRP 29 HE1 TRP 29 -13.696 -7.297 -9.109 231 HE3 TRP 29 HE3 TRP 29 -11.567 -2.457 -9.077 232 HZ2 TRP 29 HZ2 TRP 29 -11.518 -7.061 -10.932 233 HZ3 TRP 29 HZ3 TRP 29 -9.912 -3.073 -10.781 234 HH2 TRP 29 HH2 TRP 29 -9.862 -5.376 -11.727 235 H CYS 30 H CYS 30 -11.431 -4.759 -6.060 236 HA CYS 30 HA CYS 30 -9.493 -2.562 -6.043 237 HB2 CYS 30 1HB CYS 30 -9.416 -4.682 -3.867 238 HB3 CYS 30 2HB CYS 30 -8.261 -3.377 -4.082 239 HA PRO 31 HA PRO 31 -7.632 -5.652 -8.591 240 HB2 PRO 31 1HB PRO 31 -4.975 -4.947 -8.548 241 HB3 PRO 31 2HB PRO 31 -6.209 -4.024 -9.430 242 HG2 PRO 31 1HG PRO 31 -5.002 -3.482 -6.753 243 HG3 PRO 31 2HG PRO 31 -5.393 -2.351 -8.061 244 HD2 PRO 31 1HD PRO 31 -6.996 -2.685 -5.870 245 HD3 PRO 31 2HD PRO 31 -7.636 -2.218 -7.456 246 H PHE 32 H PHE 32 -4.731 -5.360 -6.591 247 HA PHE 32 HA PHE 32 -5.410 -7.780 -5.048 248 HB2 PHE 32 1HB PHE 32 -3.002 -7.878 -6.872 249 HB3 PHE 32 2HB PHE 32 -3.730 -9.198 -5.958 250 HD1 PHE 32 HD2 PHE 32 -5.972 -10.092 -6.624 251 HD2 PHE 32 HD1 PHE 32 -3.857 -7.212 -9.008 252 HE1 PHE 32 HE2 PHE 32 -7.430 -10.623 -8.559 253 HE2 PHE 32 HE1 PHE 32 -5.315 -7.742 -10.943 254 HZ PHE 32 HZ PHE 32 -7.101 -9.447 -10.719 255 H TRP 33 H TRP 33 -4.785 -5.238 -4.000 256 HA TRP 33 HA TRP 33 -2.060 -4.763 -3.444 257 HB2 TRP 33 1HB TRP 33 -4.598 -4.143 -2.046 258 HB3 TRP 33 2HB TRP 33 -3.150 -4.008 -1.085 259 HD1 TRP 33 HD1 TRP 33 -1.191 -2.497 -2.272 260 HE1 TRP 33 HE1 TRP 33 -1.434 -0.219 -3.473 261 HE3 TRP 33 HE3 TRP 33 -6.142 -2.654 -3.412 262 HZ2 TRP 33 HZ2 TRP 33 -3.463 1.318 -4.731 263 HZ3 TRP 33 HZ3 TRP 33 -7.214 -0.769 -4.616 264 HH2 TRP 33 HH2 TRP 33 -5.885 1.208 -5.283 Start of MODEL 20 1 H1 ASN 1 1H ASN 1 6.333 -15.267 2.025 2 H2 ASN 1 2H ASN 1 7.147 -16.757 2.069 3 H3 ASN 1 3H ASN 1 6.952 -15.936 0.594 4 HA ASN 1 HA ASN 1 8.533 -14.934 2.899 5 HB2 ASN 1 1HB ASN 1 9.445 -16.106 0.252 6 HB3 ASN 1 2HB ASN 1 10.493 -15.470 1.521 7 HD21 ASN 1 2HD2 ASN 1 11.455 -17.700 1.642 8 HD22 ASN 1 1HD2 ASN 1 10.632 -18.913 2.500 9 H GLU 2 H GLU 2 10.132 -13.233 1.875 10 HA GLU 2 HA GLU 2 9.058 -11.769 -0.422 11 HB2 GLU 2 1HB GLU 2 8.842 -9.637 1.052 12 HB3 GLU 2 2HB GLU 2 7.527 -10.812 1.096 13 HG2 GLU 2 1HG GLU 2 9.816 -10.961 3.064 14 HG3 GLU 2 2HG GLU 2 8.420 -9.927 3.361 15 H LEU 3 H LEU 3 11.262 -12.194 -1.119 16 HA LEU 3 HA LEU 3 13.515 -11.102 0.386 17 HB2 LEU 3 1HB LEU 3 13.196 -12.187 -2.418 18 HB3 LEU 3 2HB LEU 3 14.726 -11.540 -1.833 19 HG LEU 3 HG LEU 3 14.559 -14.027 -1.606 20 HD11 LEU 3 1HD1 LEU 3 15.782 -12.363 0.073 21 HD12 LEU 3 2HD1 LEU 3 15.689 -14.088 0.412 22 HD13 LEU 3 3HD1 LEU 3 14.578 -12.978 1.208 23 HD21 LEU 3 3HD2 LEU 3 12.031 -13.865 -1.074 24 HD22 LEU 3 1HD2 LEU 3 12.540 -13.533 0.583 25 HD23 LEU 3 2HD2 LEU 3 12.976 -15.058 -0.187 26 H ASP 4 H ASP 4 11.137 -9.460 -0.650 27 HA ASP 4 HA ASP 4 12.095 -7.636 -2.635 28 HB2 ASP 4 1HB ASP 4 10.256 -6.146 -1.712 29 HB3 ASP 4 2HB ASP 4 9.734 -7.752 -2.221 30 H VAL 5 H VAL 5 14.106 -6.744 -2.152 31 HA VAL 5 HA VAL 5 14.662 -5.629 0.473 32 HB VAL 5 HB VAL 5 16.244 -5.421 -2.097 33 HG11 VAL 5 1HG1 VAL 5 16.960 -3.688 -0.623 34 HG12 VAL 5 2HG1 VAL 5 18.114 -5.005 -0.409 35 HG13 VAL 5 3HG1 VAL 5 16.843 -4.743 0.785 36 HG21 VAL 5 3HG2 VAL 5 16.708 -7.236 0.278 37 HG22 VAL 5 1HG2 VAL 5 17.482 -7.307 -1.303 38 HG23 VAL 5 2HG2 VAL 5 15.782 -7.745 -1.134 39 HA PRO 6 HA PRO 6 14.136 -1.639 -2.618 40 HB2 PRO 6 1HB PRO 6 11.421 -2.825 -3.167 41 HB3 PRO 6 2HB PRO 6 12.313 -1.599 -4.109 42 HG2 PRO 6 1HG PRO 6 12.395 -4.040 -4.931 43 HG3 PRO 6 2HG PRO 6 13.942 -3.179 -4.759 44 HD2 PRO 6 1HD PRO 6 12.712 -5.223 -2.942 45 HD3 PRO 6 2HD PRO 6 14.415 -5.051 -3.429 46 H GLU 7 H GLU 7 13.964 -0.128 -1.050 47 HA GLU 7 HA GLU 7 12.215 -0.539 1.242 48 HB2 GLU 7 1HB GLU 7 14.462 0.299 1.609 49 HB3 GLU 7 2HB GLU 7 14.142 1.690 0.572 50 HG2 GLU 7 1HG GLU 7 12.571 2.606 2.112 51 HG3 GLU 7 2HG GLU 7 12.477 1.101 3.027 52 H GLN 8 H GLN 8 12.644 2.505 -0.664 53 HA GLN 8 HA GLN 8 10.200 3.625 0.164 54 HB2 GLN 8 1HB GLN 8 11.558 3.952 -2.526 55 HB3 GLN 8 2HB GLN 8 10.214 4.952 -1.959 56 HG2 GLN 8 1HG GLN 8 12.324 6.101 -1.505 57 HG3 GLN 8 2HG GLN 8 11.590 5.604 0.020 58 HE21 GLN 8 2HE2 GLN 8 13.573 3.791 -2.394 59 HE22 GLN 8 1HE2 GLN 8 14.726 3.265 -1.266 60 H VAL 9 H VAL 9 10.740 0.934 -1.673 61 HA VAL 9 HA VAL 9 8.228 0.942 -3.160 62 HB VAL 9 HB VAL 9 10.590 -0.849 -2.743 63 HG11 VAL 9 1HG1 VAL 9 7.851 -1.794 -3.626 64 HG12 VAL 9 2HG1 VAL 9 8.932 -2.528 -2.441 65 HG13 VAL 9 3HG1 VAL 9 9.315 -2.621 -4.159 66 HG21 VAL 9 3HG2 VAL 9 9.084 0.177 -5.164 67 HG22 VAL 9 1HG2 VAL 9 10.408 -0.983 -5.269 68 HG23 VAL 9 2HG2 VAL 9 10.701 0.632 -4.623 69 H ASP 10 H ASP 10 9.618 -1.202 -0.670 70 HA ASP 10 HA ASP 10 7.301 -2.489 0.187 71 HB2 ASP 10 1HB ASP 10 9.515 -3.045 1.090 72 HB3 ASP 10 2HB ASP 10 9.602 -1.479 1.898 73 H LYS 11 H LYS 11 8.548 0.670 1.260 74 HA LYS 11 HA LYS 11 6.462 1.250 3.119 75 HB2 LYS 11 1HB LYS 11 8.058 3.143 1.366 76 HB3 LYS 11 2HB LYS 11 7.051 3.633 2.729 77 HG2 LYS 11 1HG LYS 11 8.570 1.769 3.987 78 HG3 LYS 11 2HG LYS 11 9.710 2.251 2.731 79 HD2 LYS 11 1HD LYS 11 9.469 4.608 3.413 80 HD3 LYS 11 2HD LYS 11 8.313 4.128 4.655 81 HE2 LYS 11 1HE LYS 11 10.673 4.449 5.501 82 HE3 LYS 11 2HE LYS 11 9.990 2.858 5.833 83 HZ1 LYS 11 3HZ LYS 11 11.199 1.912 4.067 84 HZ2 LYS 11 1HZ LYS 11 12.307 2.885 4.906 85 HZ3 LYS 11 2HZ LYS 11 11.641 3.428 3.441 86 H LEU 12 H LEU 12 6.811 2.132 -0.313 87 HA LEU 12 HA LEU 12 4.298 3.335 -0.692 88 HB2 LEU 12 1HB LEU 12 6.314 1.942 -2.355 89 HB3 LEU 12 2HB LEU 12 4.754 2.164 -3.095 90 HG LEU 12 HG LEU 12 6.638 3.964 -3.407 91 HD11 LEU 12 1HD1 LEU 12 3.782 4.669 -2.697 92 HD12 LEU 12 2HD1 LEU 12 4.405 4.245 -4.292 93 HD13 LEU 12 3HD1 LEU 12 4.898 5.755 -3.525 94 HD21 LEU 12 3HD2 LEU 12 6.728 4.148 -0.731 95 HD22 LEU 12 1HD2 LEU 12 5.461 5.331 -1.018 96 HD23 LEU 12 2HD2 LEU 12 7.047 5.520 -1.767 97 H ILE 13 H ILE 13 5.253 -0.068 -1.206 98 HA ILE 13 HA ILE 13 2.687 -1.116 -1.729 99 HB ILE 13 HB ILE 13 5.016 -2.340 -0.231 100 HG12 ILE 13 1HG1 ILE 13 4.279 -2.076 -3.147 101 HG13 ILE 13 2HG1 ILE 13 5.786 -1.659 -2.366 102 HG21 ILE 13 1HG2 ILE 13 2.782 -3.538 0.016 103 HG22 ILE 13 2HG2 ILE 13 4.067 -4.487 -0.717 104 HG23 ILE 13 3HG2 ILE 13 2.811 -3.775 -1.730 105 HD11 ILE 13 3HD1 ILE 13 4.727 -4.402 -2.974 106 HD12 ILE 13 1HD1 ILE 13 6.042 -4.132 -1.832 107 HD13 ILE 13 2HD1 ILE 13 6.235 -3.667 -3.521 108 H GLN 14 H GLN 14 4.413 -1.087 1.394 109 HA GLN 14 HA GLN 14 2.299 -1.872 3.039 110 HB2 GLN 14 1HB GLN 14 4.752 -0.250 3.427 111 HB3 GLN 14 2HB GLN 14 3.586 -0.226 4.723 112 HG2 GLN 14 1HG GLN 14 3.639 -2.717 4.775 113 HG3 GLN 14 2HG GLN 14 4.880 -2.691 3.521 114 HE21 GLN 14 2HE2 GLN 14 6.527 -3.607 4.938 115 HE22 GLN 14 1HE2 GLN 14 7.194 -2.712 6.217 116 H GLN 15 H GLN 15 3.038 1.345 1.771 117 HA GLN 15 HA GLN 15 1.053 2.749 3.280 118 HB2 GLN 15 1HB GLN 15 2.619 3.234 0.817 119 HB3 GLN 15 2HB GLN 15 1.228 4.261 1.053 120 HG2 GLN 15 1HG GLN 15 2.090 4.890 3.291 121 HG3 GLN 15 2HG GLN 15 3.503 3.870 3.022 122 HE21 GLN 15 2HE2 GLN 15 3.332 6.882 3.342 123 HE22 GLN 15 1HE2 GLN 15 4.073 7.511 1.951 124 H ALA 16 H ALA 16 0.937 0.767 0.419 125 HA ALA 16 HA ALA 16 -1.436 1.501 -0.826 126 HB1 ALA 16 3HB ALA 16 -1.576 -0.735 -1.626 127 HB2 ALA 16 1HB ALA 16 -0.777 -1.378 -0.189 128 HB3 ALA 16 2HB ALA 16 0.146 -0.441 -1.365 129 H THR 17 H THR 17 -1.064 0.511 2.426 130 HA THR 17 HA THR 17 -3.484 -0.810 3.013 131 HB THR 17 HB THR 17 -3.295 0.484 5.253 132 HG1 THR 17 HG1 THR 17 -0.737 1.145 4.351 133 HG21 THR 17 3HG2 THR 17 -1.117 -0.738 5.798 134 HG22 THR 17 1HG2 THR 17 -1.079 -1.219 4.102 135 HG23 THR 17 2HG2 THR 17 -2.416 -1.730 5.134 136 H SER 18 H SER 18 -2.847 2.557 2.292 137 HA SER 18 HA SER 18 -5.357 3.635 3.086 138 HB2 SER 18 1HB SER 18 -3.128 4.470 1.328 139 HB3 SER 18 2HB SER 18 -4.660 5.300 1.111 140 HG SER 18 HG SER 18 -3.860 4.927 3.728 141 H ILE 19 H ILE 19 -4.240 3.202 -0.262 142 HA ILE 19 HA ILE 19 -6.529 3.384 -1.691 143 HB ILE 19 HB ILE 19 -4.373 1.285 -2.011 144 HG12 ILE 19 1HG1 ILE 19 -4.706 4.033 -3.258 145 HG13 ILE 19 2HG1 ILE 19 -3.650 3.695 -1.886 146 HG21 ILE 19 1HG2 ILE 19 -6.458 2.392 -3.885 147 HG22 ILE 19 2HG2 ILE 19 -6.309 0.728 -3.333 148 HG23 ILE 19 3HG2 ILE 19 -5.090 1.413 -4.401 149 HD11 ILE 19 3HD1 ILE 19 -2.425 2.047 -3.239 150 HD12 ILE 19 1HD1 ILE 19 -2.387 3.642 -3.991 151 HD13 ILE 19 2HD1 ILE 19 -3.476 2.399 -4.608 152 H GLU 20 H GLU 20 -5.609 0.793 0.435 153 HA GLU 20 HA GLU 20 -7.777 -1.004 -0.367 154 HB2 GLU 20 1HB GLU 20 -5.776 -0.951 1.893 155 HB3 GLU 20 2HB GLU 20 -7.159 -2.039 1.985 156 HG2 GLU 20 1HG GLU 20 -6.513 -3.203 0.024 157 HG3 GLU 20 2HG GLU 20 -5.373 -1.941 -0.443 158 H ARG 21 H ARG 21 -7.120 1.054 2.475 159 HA ARG 21 HA ARG 21 -9.621 0.796 3.747 160 HB2 ARG 21 1HB ARG 21 -7.450 2.850 3.652 161 HB3 ARG 21 2HB ARG 21 -9.000 3.396 4.296 162 HG2 ARG 21 1HG ARG 21 -7.580 0.896 5.273 163 HG3 ARG 21 2HG ARG 21 -7.353 2.476 6.014 164 HD2 ARG 21 1HD ARG 21 -10.020 2.443 6.116 165 HD3 ARG 21 2HD ARG 21 -9.770 0.699 6.049 166 HE ARG 21 HE ARG 21 -9.228 2.386 8.324 167 HH11 ARG 21 1HH2 ARG 21 -8.136 -0.336 6.511 168 HH12 ARG 21 2HH2 ARG 21 -7.395 -1.112 7.871 169 HH21 ARG 21 1HH1 ARG 21 -8.266 1.390 10.109 170 HH22 ARG 21 2HH1 ARG 21 -7.468 -0.135 9.906 171 H LEU 22 H LEU 22 -8.587 2.979 1.151 172 HA LEU 22 HA LEU 22 -10.959 4.433 0.781 173 HB2 LEU 22 1HB LEU 22 -8.603 3.675 -0.812 174 HB3 LEU 22 2HB LEU 22 -9.934 4.382 -1.672 175 HG LEU 22 HG LEU 22 -9.849 6.299 -0.317 176 HD11 LEU 22 1HD1 LEU 22 -7.864 6.483 1.348 177 HD12 LEU 22 2HD1 LEU 22 -7.937 4.727 1.319 178 HD13 LEU 22 3HD1 LEU 22 -9.335 5.654 1.841 179 HD21 LEU 22 3HD2 LEU 22 -8.267 6.096 -2.226 180 HD22 LEU 22 1HD2 LEU 22 -7.033 5.590 -1.075 181 HD23 LEU 22 2HD2 LEU 22 -7.714 7.213 -0.979 182 H CYS 23 H CYS 23 -9.749 1.751 -1.152 183 HA CYS 23 HA CYS 23 -11.949 1.243 -2.733 184 HB2 CYS 23 1HB CYS 23 -11.037 -0.853 -3.208 185 HB3 CYS 23 2HB CYS 23 -9.639 -0.003 -2.562 186 H GLN 24 H GLN 24 -11.487 -0.136 0.542 187 HA GLN 24 HA GLN 24 -13.992 -1.516 0.565 188 HB2 GLN 24 1HB GLN 24 -12.428 -0.346 2.892 189 HB3 GLN 24 2HB GLN 24 -13.724 -1.535 3.027 190 HG2 GLN 24 1HG GLN 24 -12.331 -2.997 1.437 191 HG3 GLN 24 2HG GLN 24 -11.002 -1.885 1.758 192 HE21 GLN 24 2HE2 GLN 24 -9.857 -3.698 2.858 193 HE22 GLN 24 1HE2 GLN 24 -10.303 -4.146 4.434 194 H HIS 25 H HIS 25 -13.129 1.820 0.970 195 HA HIS 25 HA HIS 25 -15.799 2.516 2.072 196 HB2 HIS 25 1HB HIS 25 -13.751 3.560 3.025 197 HB3 HIS 25 2HB HIS 25 -13.428 4.300 1.455 198 HD1 HIS 25 HD1 HIS 25 -14.501 6.522 1.053 199 HD2 HIS 25 HD2 HIS 25 -16.430 4.408 4.088 200 HE1 HIS 25 HE1 HIS 25 -16.269 8.073 1.997 201 HE2 HIS 25 HE2 HIS 25 -17.449 6.796 3.843 202 H TYR 26 H TYR 26 -13.744 3.730 -0.631 203 HA TYR 26 HA TYR 26 -16.134 4.859 -1.911 204 HB2 TYR 26 1HB TYR 26 -13.241 4.829 -2.808 205 HB3 TYR 26 2HB TYR 26 -14.531 5.828 -3.469 206 HD1 TYR 26 HD1 TYR 26 -15.790 7.398 -1.850 207 HD2 TYR 26 HD2 TYR 26 -12.001 5.589 -0.937 208 HE1 TYR 26 HE1 TYR 26 -15.404 9.096 -0.084 209 HE2 TYR 26 HE2 TYR 26 -11.616 7.284 0.832 210 HH TYR 26 HH TYR 26 -12.398 9.097 1.840 211 H ILE 27 H ILE 27 -13.487 3.220 -3.629 212 HA ILE 27 HA ILE 27 -15.043 2.299 -5.740 213 HB ILE 27 HB ILE 27 -12.834 0.547 -4.708 214 HG12 ILE 27 1HG1 ILE 27 -11.897 2.735 -4.352 215 HG13 ILE 27 2HG1 ILE 27 -11.234 2.132 -5.862 216 HG21 ILE 27 1HG2 ILE 27 -13.501 1.538 -7.475 217 HG22 ILE 27 2HG2 ILE 27 -14.055 0.001 -6.810 218 HG23 ILE 27 3HG2 ILE 27 -12.332 0.286 -7.057 219 HD11 ILE 27 3HD1 ILE 27 -13.305 3.345 -6.907 220 HD12 ILE 27 1HD1 ILE 27 -11.881 4.273 -6.444 221 HD13 ILE 27 2HD1 ILE 27 -13.287 4.235 -5.389 222 H GLY 28 H GLY 28 -15.039 1.136 -2.502 223 HA2 GLY 28 1HA GLY 28 -16.406 -0.479 -1.481 224 HA3 GLY 28 2HA GLY 28 -17.302 -0.577 -2.998 225 H TRP 29 H TRP 29 -15.611 -1.548 -4.816 226 HA TRP 29 HA TRP 29 -15.175 -4.283 -3.911 227 HB2 TRP 29 1HB TRP 29 -15.751 -3.154 -6.357 228 HB3 TRP 29 2HB TRP 29 -14.026 -3.464 -6.545 229 HD1 TRP 29 HD1 TRP 29 -17.125 -5.466 -5.280 230 HE1 TRP 29 HE1 TRP 29 -16.846 -7.893 -6.138 231 HE3 TRP 29 HE3 TRP 29 -12.647 -5.038 -7.616 232 HZ2 TRP 29 HZ2 TRP 29 -14.961 -9.430 -7.623 233 HZ3 TRP 29 HZ3 TRP 29 -11.619 -6.965 -8.745 234 HH2 TRP 29 HH2 TRP 29 -12.759 -9.178 -8.761 235 H CYS 30 H CYS 30 -13.047 -5.373 -4.098 236 HA CYS 30 HA CYS 30 -10.652 -3.659 -4.119 237 HB2 CYS 30 1HB CYS 30 -11.310 -5.337 -1.684 238 HB3 CYS 30 2HB CYS 30 -9.899 -4.305 -1.906 239 HA PRO 31 HA PRO 31 -9.810 -7.531 -6.447 240 HB2 PRO 31 1HB PRO 31 -7.097 -6.292 -5.974 241 HB3 PRO 31 2HB PRO 31 -7.691 -7.163 -7.407 242 HG2 PRO 31 1HG PRO 31 -7.679 -4.539 -7.402 243 HG3 PRO 31 2HG PRO 31 -9.094 -5.408 -8.031 244 HD2 PRO 31 1HD PRO 31 -8.797 -3.917 -5.457 245 HD3 PRO 31 2HD PRO 31 -10.252 -4.159 -6.452 246 H PHE 32 H PHE 32 -6.712 -7.622 -4.933 247 HA PHE 32 HA PHE 32 -7.594 -9.126 -2.584 248 HB2 PHE 32 1HB PHE 32 -6.074 -10.569 -4.777 249 HB3 PHE 32 2HB PHE 32 -6.611 -11.250 -3.242 250 HD1 PHE 32 HD1 PHE 32 -9.060 -11.512 -2.780 251 HD2 PHE 32 HD2 PHE 32 -7.568 -10.348 -6.637 252 HE1 PHE 32 HE1 PHE 32 -11.246 -12.091 -3.799 253 HE2 PHE 32 HE2 PHE 32 -9.754 -10.926 -7.656 254 HZ PHE 32 HZ PHE 32 -11.592 -11.798 -6.237 255 H TRP 33 H TRP 33 -6.133 -7.017 -2.172 256 HA TRP 33 HA TRP 33 -3.395 -6.910 -2.614 257 HB2 TRP 33 1HB TRP 33 -5.135 -6.069 -0.360 258 HB3 TRP 33 2HB TRP 33 -3.417 -6.064 -0.054 259 HD1 TRP 33 HD1 TRP 33 -1.968 -4.332 -1.266 260 HE1 TRP 33 HE1 TRP 33 -2.499 -2.183 -2.603 261 HE3 TRP 33 HE3 TRP 33 -6.957 -5.000 -2.033 262 HZ2 TRP 33 HZ2 TRP 33 -4.735 -0.924 -3.814 263 HZ3 TRP 33 HZ3 TRP 33 -8.273 -3.309 -3.277 264 HH2 TRP 33 HH2 TRP 33 -7.173 -1.276 -4.175
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