NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647039 | 6obk | 30592 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 1.608 0.677 -1.929 3 HB2 MET 1 HB2 MET 1 3.878 0.050 -0.067 4 HB3 MET 1 HB3 MET 1 4.151 0.156 -1.801 5 HG2 MET 1 HG2 MET 1 4.514 2.318 -1.420 6 HG3 MET 1 HG3 MET 1 2.760 2.445 -1.318 7 HE1 MET 1 HE1 MET 1 4.557 4.808 0.862 8 HE2 MET 1 HE2 MET 1 3.362 4.548 -0.408 9 HE3 MET 1 HE3 MET 1 2.845 4.703 1.271 10 H ASN 2 H ASN 2 1.765 -0.628 -3.676 11 HA ASN 2 HA ASN 2 2.041 -3.516 -3.161 12 HB2 ASN 2 HB2 ASN 2 0.351 -2.029 -5.170 13 HB3 ASN 2 HB3 ASN 2 0.686 -3.753 -5.309 14 HD21 ASN 2 HD21 ASN 2 -1.749 -2.004 -4.688 15 HD22 ASN 2 HD22 ASN 2 -2.459 -2.781 -3.318 16 H LYS 3 H LYS 3 4.385 -2.373 -3.433 17 HA LYS 3 HA LYS 3 5.159 -2.487 -6.257 18 HB2 LYS 3 HB2 LYS 3 7.173 -1.364 -5.636 19 HB3 LYS 3 HB3 LYS 3 5.846 -0.532 -4.835 20 HG2 LYS 3 HG2 LYS 3 6.390 -1.971 -2.804 21 HG3 LYS 3 HG3 LYS 3 7.894 -2.368 -3.639 22 HD2 LYS 3 HD2 LYS 3 7.840 0.343 -3.880 23 HD3 LYS 3 HD3 LYS 3 7.066 0.117 -2.310 24 HE2 LYS 3 HE2 LYS 3 8.954 -1.120 -1.494 25 HE3 LYS 3 HE3 LYS 3 9.699 -1.126 -3.092 26 HZ1 LYS 3 HZ1 LYS 3 10.687 0.535 -1.627 27 HZ2 LYS 3 HZ2 LYS 3 9.188 1.296 -1.450 28 HZ3 LYS 3 HZ3 LYS 3 9.946 1.263 -2.962 29 H GLU 4 H GLU 4 5.705 -4.035 -3.155 30 HA GLU 4 HA GLU 4 7.791 -5.756 -4.124 31 HB2 GLU 4 HB2 GLU 4 6.134 -5.863 -1.598 32 HB3 GLU 4 HB3 GLU 4 7.506 -6.909 -1.937 33 HG2 GLU 4 HG2 GLU 4 8.311 -4.206 -2.308 34 HG3 GLU 4 HG3 GLU 4 7.498 -4.349 -0.751 35 H HIS 5 H HIS 5 4.317 -5.980 -3.651 36 HA HIS 5 HA HIS 5 4.028 -8.752 -3.992 37 HB2 HIS 5 HB2 HIS 5 2.298 -6.974 -3.230 38 HB3 HIS 5 HB3 HIS 5 1.969 -6.784 -4.950 39 HD1 HIS 5 HD1 HIS 5 -0.192 -7.841 -3.027 40 HD2 HIS 5 HD2 HIS 5 2.362 -10.262 -5.234 41 HE1 HIS 5 HE1 HIS 5 -1.371 -10.053 -3.229 42 H ILE 6 H ILE 6 3.914 -6.097 -6.346 43 HA ILE 6 HA ILE 6 3.428 -7.791 -8.584 44 HB ILE 6 HB ILE 6 3.803 -5.866 -9.960 45 HG12 ILE 6 HG12 ILE 6 4.995 -4.577 -7.495 46 HG13 ILE 6 HG13 ILE 6 5.874 -5.062 -8.942 47 HG21 ILE 6 HG21 ILE 6 2.236 -4.291 -9.001 48 HG22 ILE 6 HG22 ILE 6 1.721 -5.939 -8.648 49 HG23 ILE 6 HG23 ILE 6 2.497 -4.970 -7.395 50 HD11 ILE 6 HD11 ILE 6 4.018 -3.420 -10.011 51 HD12 ILE 6 HD12 ILE 6 4.248 -2.680 -8.426 52 HD13 ILE 6 HD13 ILE 6 5.628 -2.911 -9.500 53 H LEU 7 H LEU 7 6.306 -6.543 -7.019 54 HA LEU 7 HA LEU 7 8.221 -6.966 -8.964 55 HB2 LEU 7 HB2 LEU 7 8.158 -6.577 -6.129 56 HB3 LEU 7 HB3 LEU 7 9.349 -7.815 -6.524 57 HG LEU 7 HG LEU 7 10.509 -6.261 -7.992 58 HD11 LEU 7 HD11 LEU 7 9.502 -4.488 -8.854 59 HD12 LEU 7 HD12 LEU 7 9.290 -3.802 -7.243 60 HD13 LEU 7 HD13 LEU 7 8.053 -4.862 -7.920 61 HD21 LEU 7 HD21 LEU 7 9.933 -5.238 -5.218 62 HD22 LEU 7 HD22 LEU 7 11.208 -4.596 -6.254 63 HD23 LEU 7 HD23 LEU 7 11.260 -6.280 -5.731 64 H ALA 8 H ALA 8 7.153 -9.282 -6.472 65 HA ALA 8 HA ALA 8 8.698 -11.450 -7.190 66 HB1 ALA 8 HB1 ALA 8 5.844 -11.559 -6.222 67 HB2 ALA 8 HB2 ALA 8 7.047 -12.844 -6.103 68 HB3 ALA 8 HB3 ALA 8 7.261 -11.350 -5.191 69 H GLN 9 H GLN 9 5.742 -10.262 -8.671 70 HA GLN 9 HA GLN 9 5.086 -12.455 -10.257 71 HB2 GLN 9 HB2 GLN 9 4.778 -9.571 -11.092 72 HB3 GLN 9 HB3 GLN 9 3.800 -10.943 -11.598 73 HG2 GLN 9 HG2 GLN 9 3.901 -9.704 -8.859 74 HG3 GLN 9 HG3 GLN 9 2.571 -9.632 -10.014 75 HE21 GLN 9 HE21 GLN 9 3.911 -11.286 -7.415 76 HE22 GLN 9 HE22 GLN 9 2.887 -12.677 -7.442 77 H LYS 10 H LYS 10 6.995 -9.590 -11.193 78 HA LYS 10 HA LYS 10 7.724 -10.400 -13.733 79 HB2 LYS 10 HB2 LYS 10 9.088 -8.589 -13.736 80 HB3 LYS 10 HB3 LYS 10 8.242 -8.219 -12.239 81 HG2 LYS 10 HG2 LYS 10 10.057 -9.321 -10.980 82 HG3 LYS 10 HG3 LYS 10 10.918 -9.574 -12.500 83 HD2 LYS 10 HD2 LYS 10 11.886 -7.603 -12.003 84 HD3 LYS 10 HD3 LYS 10 10.390 -6.917 -12.642 85 HE2 LYS 10 HE2 LYS 10 9.485 -6.634 -10.476 86 HE3 LYS 10 HE3 LYS 10 10.732 -7.643 -9.743 87 HZ1 LYS 10 HZ1 LYS 10 11.826 -5.771 -9.343 88 HZ2 LYS 10 HZ2 LYS 10 10.769 -4.851 -10.290 89 HZ3 LYS 10 HZ3 LYS 10 12.093 -5.622 -11.007 90 H GLU 11 H GLU 11 8.976 -11.418 -10.641 91 HA GLU 11 HA GLU 11 11.338 -12.661 -11.653 92 HB2 GLU 11 HB2 GLU 11 10.795 -11.904 -9.232 93 HB3 GLU 11 HB3 GLU 11 9.984 -13.457 -9.092 94 HG2 GLU 11 HG2 GLU 11 12.641 -13.718 -10.212 95 HG3 GLU 11 HG3 GLU 11 12.657 -12.939 -8.632 96 H VAL 12 H VAL 12 8.033 -13.678 -11.118 97 HA VAL 12 HA VAL 12 8.571 -16.475 -11.508 98 HB VAL 12 HB VAL 12 5.910 -15.053 -11.635 99 HG11 VAL 12 HG11 VAL 12 6.764 -17.872 -11.737 100 HG12 VAL 12 HG12 VAL 12 5.389 -17.520 -10.688 101 HG13 VAL 12 HG13 VAL 12 5.326 -17.095 -12.398 102 HG21 VAL 12 HG21 VAL 12 6.343 -14.574 -9.481 103 HG22 VAL 12 HG22 VAL 12 5.971 -16.277 -9.211 104 HG23 VAL 12 HG23 VAL 12 7.648 -15.756 -9.374 105 H LEU 13 H LEU 13 6.844 -14.006 -13.418 106 HA LEU 13 HA LEU 13 6.485 -15.621 -15.696 107 HB2 LEU 13 HB2 LEU 13 6.168 -13.404 -16.869 108 HB3 LEU 13 HB3 LEU 13 5.102 -13.737 -15.505 109 HG LEU 13 HG LEU 13 7.211 -12.346 -14.371 110 HD11 LEU 13 HD11 LEU 13 7.601 -11.881 -16.982 111 HD12 LEU 13 HD12 LEU 13 7.947 -10.695 -15.724 112 HD13 LEU 13 HD13 LEU 13 6.434 -10.607 -16.626 113 HD21 LEU 13 HD21 LEU 13 5.473 -10.434 -14.470 114 HD22 LEU 13 HD22 LEU 13 5.064 -11.917 -13.608 115 HD23 LEU 13 HD23 LEU 13 4.433 -11.638 -15.231 116 H THR 14 H THR 14 7.540 -15.552 -17.732 117 HA THR 14 HA THR 14 10.281 -15.822 -17.704 118 HB THR 14 HB THR 14 9.879 -15.044 -20.287 119 HG1 THR 14 HG1 THR 14 7.446 -16.312 -19.679 120 HG21 THR 14 HG21 THR 14 8.923 -17.650 -20.242 121 HG22 THR 14 HG22 THR 14 9.908 -17.527 -18.784 122 HG23 THR 14 HG23 THR 14 10.611 -17.155 -20.358 123 HA PRO 15 HA PRO 15 12.142 -11.850 -17.833 124 HB2 PRO 15 HB2 PRO 15 14.098 -12.148 -19.692 125 HB3 PRO 15 HB3 PRO 15 14.171 -12.898 -18.093 126 HG2 PRO 15 HG2 PRO 15 13.362 -14.099 -20.713 127 HG3 PRO 15 HG3 PRO 15 14.382 -14.785 -19.435 128 HD2 PRO 15 HD2 PRO 15 11.778 -15.460 -19.739 129 HD3 PRO 15 HD3 PRO 15 12.573 -15.412 -18.152 130 H ILE 16 H ILE 16 11.030 -13.177 -20.876 131 HA ILE 16 HA ILE 16 11.312 -10.803 -22.414 132 HB ILE 16 HB ILE 16 9.863 -13.385 -22.777 133 HG12 ILE 16 HG12 ILE 16 12.250 -13.090 -23.414 134 HG13 ILE 16 HG13 ILE 16 11.222 -13.512 -24.779 135 HG21 ILE 16 HG21 ILE 16 8.165 -11.931 -23.529 136 HG22 ILE 16 HG22 ILE 16 9.323 -10.861 -24.317 137 HG23 ILE 16 HG23 ILE 16 9.012 -12.465 -24.980 138 HD11 ILE 16 HD11 ILE 16 11.740 -11.644 -25.861 139 HD12 ILE 16 HD12 ILE 16 11.481 -10.645 -24.430 140 HD13 ILE 16 HD13 ILE 16 13.031 -11.448 -24.676 141 H GLU 17 H GLU 17 8.635 -12.225 -20.585 142 HA GLU 17 HA GLU 17 6.757 -10.201 -21.324 143 HB2 GLU 17 HB2 GLU 17 6.691 -12.174 -19.034 144 HB3 GLU 17 HB3 GLU 17 5.335 -11.194 -19.572 145 HG2 GLU 17 HG2 GLU 17 5.864 -12.364 -21.879 146 HG3 GLU 17 HG3 GLU 17 6.561 -13.588 -20.819 147 H TYR 18 H TYR 18 8.953 -10.706 -18.628 148 HA TYR 18 HA TYR 18 8.011 -8.837 -16.821 149 HB2 TYR 18 HB2 TYR 18 9.751 -9.840 -15.805 150 HB3 TYR 18 HB3 TYR 18 10.554 -10.188 -17.333 151 HD1 TYR 18 HD1 TYR 18 9.862 -7.322 -15.038 152 HD2 TYR 18 HD2 TYR 18 12.549 -9.116 -17.807 153 HE1 TYR 18 HE1 TYR 18 11.518 -5.567 -14.560 154 HE2 TYR 18 HE2 TYR 18 14.212 -7.367 -17.336 155 HH TYR 18 HH TYR 18 14.132 -4.937 -16.472 156 H GLU 19 H GLU 19 9.934 -8.359 -19.724 157 HA GLU 19 HA GLU 19 10.833 -5.781 -19.393 158 HB2 GLU 19 HB2 GLU 19 10.755 -7.577 -21.476 159 HB3 GLU 19 HB3 GLU 19 9.741 -6.268 -22.069 160 HG2 GLU 19 HG2 GLU 19 11.738 -4.777 -21.253 161 HG3 GLU 19 HG3 GLU 19 12.644 -6.279 -21.427 162 H HIS 20 H HIS 20 7.598 -6.889 -20.157 163 HA HIS 20 HA HIS 20 6.633 -4.185 -20.600 164 HB2 HIS 20 HB2 HIS 20 5.446 -6.924 -20.817 165 HB3 HIS 20 HB3 HIS 20 4.374 -5.534 -20.669 166 HD1 HIS 20 HD1 HIS 20 3.912 -4.237 -22.756 167 HD2 HIS 20 HD2 HIS 20 7.152 -6.805 -23.170 168 HE1 HIS 20 HE1 HIS 20 4.530 -4.153 -25.192 169 H TYR 21 H TYR 21 6.718 -6.582 -18.083 170 HA TYR 21 HA TYR 21 4.651 -5.780 -16.435 171 HB2 TYR 21 HB2 TYR 21 5.607 -7.617 -15.514 172 HB3 TYR 21 HB3 TYR 21 7.220 -7.179 -16.066 173 HD1 TYR 21 HD1 TYR 21 4.817 -6.969 -13.336 174 HD2 TYR 21 HD2 TYR 21 8.636 -5.695 -14.713 175 HE1 TYR 21 HE1 TYR 21 5.400 -6.271 -11.051 176 HE2 TYR 21 HE2 TYR 21 9.230 -4.994 -12.432 177 HH TYR 21 HH TYR 21 7.917 -4.267 -10.329 178 H VAL 22 H VAL 22 7.734 -4.259 -17.018 179 HA VAL 22 HA VAL 22 7.394 -2.379 -14.827 180 HB VAL 22 HB VAL 22 9.546 -2.561 -16.939 181 HG11 VAL 22 HG11 VAL 22 8.899 -0.500 -14.999 182 HG12 VAL 22 HG12 VAL 22 10.537 -1.125 -14.798 183 HG13 VAL 22 HG13 VAL 22 10.028 -0.464 -16.352 184 HG21 VAL 22 HG21 VAL 22 9.293 -3.598 -14.145 185 HG22 VAL 22 HG22 VAL 22 9.869 -4.421 -15.594 186 HG23 VAL 22 HG23 VAL 22 10.880 -3.208 -14.809 187 H LYS 23 H LYS 23 6.723 -2.601 -18.189 188 HA LYS 23 HA LYS 23 6.768 0.130 -18.886 189 HB2 LYS 23 HB2 LYS 23 5.185 -2.186 -20.005 190 HB3 LYS 23 HB3 LYS 23 5.202 -0.582 -20.726 191 HG2 LYS 23 HG2 LYS 23 7.674 -2.238 -20.286 192 HG3 LYS 23 HG3 LYS 23 6.743 -2.235 -21.785 193 HD2 LYS 23 HD2 LYS 23 7.058 0.335 -21.689 194 HD3 LYS 23 HD3 LYS 23 8.363 -0.034 -20.559 195 HE2 LYS 23 HE2 LYS 23 9.146 -1.690 -22.391 196 HE3 LYS 23 HE3 LYS 23 8.109 -0.744 -23.457 197 HZ1 LYS 23 HZ1 LYS 23 10.325 0.113 -23.553 198 HZ2 LYS 23 HZ2 LYS 23 10.407 0.262 -21.871 199 HZ3 LYS 23 HZ3 LYS 23 9.357 1.248 -22.756 200 H HIS 24 H HIS 24 4.049 -1.963 -17.920 201 HA HIS 24 HA HIS 24 2.082 0.029 -17.922 202 HB2 HIS 24 HB2 HIS 24 1.147 -2.069 -17.809 203 HB3 HIS 24 HB3 HIS 24 2.359 -2.666 -16.680 204 HD1 HIS 24 HD1 HIS 24 -0.232 0.119 -16.411 205 HD2 HIS 24 HD2 HIS 24 1.084 -3.259 -14.382 206 HE1 HIS 24 HE1 HIS 24 -1.622 0.008 -14.319 207 H LEU 25 H LEU 25 4.417 -0.923 -15.485 208 HA LEU 25 HA LEU 25 3.352 0.335 -13.248 209 HB2 LEU 25 HB2 LEU 25 6.022 -0.543 -14.120 210 HB3 LEU 25 HB3 LEU 25 6.008 0.704 -12.874 211 HG LEU 25 HG LEU 25 5.019 -0.699 -11.306 212 HD11 LEU 25 HD11 LEU 25 4.008 -2.895 -11.918 213 HD12 LEU 25 HD12 LEU 25 4.184 -2.445 -13.614 214 HD13 LEU 25 HD13 LEU 25 3.144 -1.494 -12.553 215 HD21 LEU 25 HD21 LEU 25 6.329 -3.007 -12.452 216 HD22 LEU 25 HD22 LEU 25 6.758 -2.058 -11.028 217 HD23 LEU 25 HD23 LEU 25 7.311 -1.552 -12.626 218 H PHE 26 H PHE 26 5.599 1.648 -15.674 219 HA PHE 26 HA PHE 26 6.063 4.144 -14.682 220 HB2 PHE 26 HB2 PHE 26 5.524 3.391 -17.562 221 HB3 PHE 26 HB3 PHE 26 6.245 4.912 -17.048 222 HD1 PHE 26 HD1 PHE 26 7.090 2.061 -18.570 223 HD2 PHE 26 HD2 PHE 26 8.184 4.257 -15.092 224 HE1 PHE 26 HE1 PHE 26 9.317 1.014 -18.613 225 HE2 PHE 26 HE2 PHE 26 10.412 3.215 -15.130 226 HZ PHE 26 HZ PHE 26 10.981 1.591 -16.892 227 H ASP 27 H ASP 27 3.126 2.964 -16.181 228 HA ASP 27 HA ASP 27 1.768 5.269 -16.775 229 HB2 ASP 27 HB2 ASP 27 1.005 2.828 -17.013 230 HB3 ASP 27 HB3 ASP 27 0.420 2.977 -15.358 231 H ILE 28 H ILE 28 2.150 3.753 -13.601 232 HA ILE 28 HA ILE 28 0.856 6.092 -12.374 233 HB ILE 28 HB ILE 28 0.419 4.790 -10.443 234 HG12 ILE 28 HG12 ILE 28 2.215 2.693 -11.676 235 HG13 ILE 28 HG13 ILE 28 2.535 3.633 -10.222 236 HG21 ILE 28 HG21 ILE 28 -0.100 2.679 -12.458 237 HG22 ILE 28 HG22 ILE 28 -1.185 3.412 -11.279 238 HG23 ILE 28 HG23 ILE 28 -0.776 4.280 -12.758 239 HD11 ILE 28 HD11 ILE 28 0.299 1.644 -10.533 240 HD12 ILE 28 HD12 ILE 28 1.844 1.330 -9.740 241 HD13 ILE 28 HD13 ILE 28 0.734 2.523 -9.067 242 H GLY 29 H GLY 29 3.823 4.282 -12.576 243 HA2 GLY 29 HA2 GLY 29 5.938 5.269 -12.146 244 HA3 GLY 29 HA3 GLY 29 5.157 6.400 -11.051 245 H GLU 30 H GLU 30 4.408 3.015 -10.879 246 HA GLU 30 HA GLU 30 4.940 2.786 -8.162 247 HB2 GLU 30 HB2 GLU 30 3.897 1.143 -10.143 248 HB3 GLU 30 HB3 GLU 30 5.319 0.273 -9.585 249 HG2 GLU 30 HG2 GLU 30 2.876 1.063 -8.055 250 HG3 GLU 30 HG3 GLU 30 3.606 -0.530 -8.243 251 H ILE 31 H ILE 31 6.861 1.269 -10.759 252 HA ILE 31 HA ILE 31 9.209 1.447 -8.991 253 HB ILE 31 HB ILE 31 8.389 -0.569 -11.039 254 HG12 ILE 31 HG12 ILE 31 9.431 -2.056 -9.211 255 HG13 ILE 31 HG13 ILE 31 9.451 -0.601 -8.220 256 HG21 ILE 31 HG21 ILE 31 10.781 -1.443 -10.886 257 HG22 ILE 31 HG22 ILE 31 10.498 -0.041 -11.917 258 HG23 ILE 31 HG23 ILE 31 11.207 0.171 -10.317 259 HD11 ILE 31 HD11 ILE 31 7.350 -2.414 -8.577 260 HD12 ILE 31 HD12 ILE 31 7.325 -0.887 -7.695 261 HD13 ILE 31 HD13 ILE 31 6.866 -0.930 -9.397 262 H THR 32 H THR 32 11.063 2.390 -9.697 263 HA THR 32 HA THR 32 10.864 4.112 -12.000 264 HB THR 32 HB THR 32 12.968 5.048 -11.314 265 HG1 THR 32 HG1 THR 32 14.183 4.070 -9.636 266 HG21 THR 32 HG21 THR 32 10.715 5.065 -9.749 267 HG22 THR 32 HG22 THR 32 12.120 6.107 -9.524 268 HG23 THR 32 HG23 THR 32 11.972 4.613 -8.599 269 H LYS 33 H LYS 33 12.401 4.176 -13.731 270 HA LYS 33 HA LYS 33 12.803 1.787 -15.053 271 HB2 LYS 33 HB2 LYS 33 14.486 4.283 -15.339 272 HB3 LYS 33 HB3 LYS 33 14.311 3.004 -16.534 273 HG2 LYS 33 HG2 LYS 33 12.169 3.643 -17.102 274 HG3 LYS 33 HG3 LYS 33 11.898 4.472 -15.567 275 HD2 LYS 33 HD2 LYS 33 13.831 5.400 -17.689 276 HD3 LYS 33 HD3 LYS 33 12.183 6.007 -17.507 277 HE2 LYS 33 HE2 LYS 33 13.024 6.375 -15.009 278 HE3 LYS 33 HE3 LYS 33 14.584 6.466 -15.824 279 HZ1 LYS 33 HZ1 LYS 33 12.740 8.005 -17.263 280 HZ2 LYS 33 HZ2 LYS 33 14.113 8.527 -16.426 281 HZ3 LYS 33 HZ3 LYS 33 12.620 8.444 -15.634 282 H GLU 34 H GLU 34 14.850 3.381 -12.704 283 HA GLU 34 HA GLU 34 17.282 2.177 -13.080 284 HB2 GLU 34 HB2 GLU 34 15.961 2.619 -10.397 285 HB3 GLU 34 HB3 GLU 34 17.687 2.473 -10.699 286 HG2 GLU 34 HG2 GLU 34 17.254 4.513 -12.292 287 HG3 GLU 34 HG3 GLU 34 15.847 4.740 -11.255 288 H LEU 35 H LEU 35 14.375 0.787 -11.685 289 HA LEU 35 HA LEU 35 15.643 -1.610 -10.773 290 HB2 LEU 35 HB2 LEU 35 13.110 -0.390 -10.531 291 HB3 LEU 35 HB3 LEU 35 12.847 -1.977 -11.251 292 HG LEU 35 HG LEU 35 14.030 -3.009 -9.351 293 HD11 LEU 35 HD11 LEU 35 15.516 -1.308 -8.649 294 HD12 LEU 35 HD12 LEU 35 14.375 -1.549 -7.327 295 HD13 LEU 35 HD13 LEU 35 14.200 -0.161 -8.399 296 HD21 LEU 35 HD21 LEU 35 11.532 -2.565 -9.413 297 HD22 LEU 35 HD22 LEU 35 11.849 -1.207 -8.332 298 HD23 LEU 35 HD23 LEU 35 12.244 -2.850 -7.825 299 H TYR 36 H TYR 36 13.680 -0.740 -13.595 300 HA TYR 36 HA TYR 36 13.572 -3.298 -14.749 301 HB2 TYR 36 HB2 TYR 36 12.066 -1.934 -15.787 302 HB3 TYR 36 HB3 TYR 36 13.107 -0.519 -15.674 303 HD1 TYR 36 HD1 TYR 36 12.851 -3.778 -17.478 304 HD2 TYR 36 HD2 TYR 36 14.134 0.277 -17.593 305 HE1 TYR 36 HE1 TYR 36 13.457 -4.043 -19.847 306 HE2 TYR 36 HE2 TYR 36 14.742 0.024 -19.962 307 HH TYR 36 HH TYR 36 13.786 -1.794 -21.924 308 H ILE 37 H ILE 37 15.971 -0.741 -14.923 309 HA ILE 37 HA ILE 37 17.503 -1.990 -17.003 310 HB ILE 37 HB ILE 37 18.079 0.299 -15.134 311 HG12 ILE 37 HG12 ILE 37 18.300 0.963 -17.884 312 HG13 ILE 37 HG13 ILE 37 16.827 0.018 -17.696 313 HG21 ILE 37 HG21 ILE 37 20.199 -0.725 -15.466 314 HG22 ILE 37 HG22 ILE 37 19.887 -0.958 -17.185 315 HG23 ILE 37 HG23 ILE 37 20.124 0.668 -16.544 316 HD11 ILE 37 HD11 ILE 37 15.774 1.654 -16.591 317 HD12 ILE 37 HD12 ILE 37 17.215 2.115 -15.685 318 HD13 ILE 37 HD13 ILE 37 16.992 2.686 -17.339 319 H GLU 38 H GLU 38 17.738 -1.755 -13.478 320 HA GLU 38 HA GLU 38 20.213 -3.115 -13.252 321 HB2 GLU 38 HB2 GLU 38 17.979 -2.575 -11.306 322 HB3 GLU 38 HB3 GLU 38 19.412 -3.483 -10.847 323 HG2 GLU 38 HG2 GLU 38 20.824 -1.620 -11.232 324 HG3 GLU 38 HG3 GLU 38 19.527 -0.717 -12.011 325 H LEU 39 H LEU 39 16.901 -4.238 -12.538 326 HA LEU 39 HA LEU 39 17.493 -6.899 -12.057 327 HB2 LEU 39 HB2 LEU 39 15.075 -5.455 -13.029 328 HB3 LEU 39 HB3 LEU 39 15.084 -7.217 -13.069 329 HG LEU 39 HG LEU 39 13.987 -6.233 -11.061 330 HD11 LEU 39 HD11 LEU 39 16.237 -8.156 -10.991 331 HD12 LEU 39 HD12 LEU 39 14.533 -8.386 -10.604 332 HD13 LEU 39 HD13 LEU 39 15.600 -7.596 -9.444 333 HD21 LEU 39 HD21 LEU 39 15.373 -4.302 -10.703 334 HD22 LEU 39 HD22 LEU 39 16.796 -5.316 -10.461 335 HD23 LEU 39 HD23 LEU 39 15.479 -5.349 -9.288 336 H SER 40 H SER 40 17.043 -5.223 -15.111 337 HA SER 40 HA SER 40 16.817 -7.432 -16.808 338 HB2 SER 40 HB2 SER 40 17.685 -4.596 -17.150 339 HB3 SER 40 HB3 SER 40 18.014 -5.731 -18.459 340 HG SER 40 HG SER 40 16.010 -5.479 -18.998 341 H SER 41 H SER 41 18.197 -9.102 -16.500 342 HA SER 41 HA SER 41 21.071 -8.531 -16.819 343 HB2 SER 41 HB2 SER 41 21.595 -10.359 -15.351 344 HB3 SER 41 HB3 SER 41 20.403 -9.350 -14.530 345 HG SER 41 HG SER 41 20.054 -11.721 -14.545 346 H ASP 42 H ASP 42 19.248 -8.989 -18.956 347 HA ASP 42 HA ASP 42 20.021 -11.679 -19.866 348 HB2 ASP 42 HB2 ASP 42 17.549 -10.291 -19.967 349 HB3 ASP 42 HB3 ASP 42 18.129 -10.438 -21.624 350 H LEU 43 H LEU 43 20.883 -11.960 -21.951 351 HA LEU 43 HA LEU 43 21.513 -9.669 -23.586 352 HB2 LEU 43 HB2 LEU 43 23.272 -10.034 -21.635 353 HB3 LEU 43 HB3 LEU 43 23.898 -11.237 -22.761 354 HG LEU 43 HG LEU 43 23.454 -8.716 -24.095 355 HD11 LEU 43 HD11 LEU 43 24.846 -7.268 -22.941 356 HD12 LEU 43 HD12 LEU 43 25.559 -8.559 -21.975 357 HD13 LEU 43 HD13 LEU 43 23.911 -8.022 -21.650 358 HD21 LEU 43 HD21 LEU 43 25.741 -10.598 -23.629 359 HD22 LEU 43 HD22 LEU 43 25.974 -9.058 -24.457 360 HD23 LEU 43 HD23 LEU 43 24.866 -10.259 -25.123 Start of MODEL 2 1 H1 MET 1 H MET 1 0.231 -3.775 -1.849 2 HA MET 1 HA MET 1 0.794 -3.743 -4.680 3 HB2 MET 1 HB2 MET 1 -0.867 -1.566 -3.404 4 HB3 MET 1 HB3 MET 1 -0.090 -1.420 -4.975 5 HG2 MET 1 HG2 MET 1 -1.423 -3.655 -5.435 6 HG3 MET 1 HG3 MET 1 -2.457 -3.007 -4.164 7 HE1 MET 1 HE1 MET 1 -4.357 -3.019 -5.410 8 HE2 MET 1 HE2 MET 1 -4.652 -1.306 -5.110 9 HE3 MET 1 HE3 MET 1 -4.816 -1.957 -6.742 10 H ASN 2 H ASN 2 2.875 -4.052 -3.543 11 HA ASN 2 HA ASN 2 3.985 -1.482 -2.622 12 HB2 ASN 2 HB2 ASN 2 5.084 -4.203 -1.913 13 HB3 ASN 2 HB3 ASN 2 5.474 -2.652 -1.175 14 HD21 ASN 2 HD21 ASN 2 4.604 -5.009 0.164 15 HD22 ASN 2 HD22 ASN 2 3.103 -4.638 0.936 16 H LYS 3 H LYS 3 6.289 -1.157 -3.094 17 HA LYS 3 HA LYS 3 6.847 -1.641 -5.837 18 HB2 LYS 3 HB2 LYS 3 8.682 -0.605 -3.668 19 HB3 LYS 3 HB3 LYS 3 8.969 -0.490 -5.399 20 HG2 LYS 3 HG2 LYS 3 6.815 0.831 -5.531 21 HG3 LYS 3 HG3 LYS 3 6.874 0.911 -3.768 22 HD2 LYS 3 HD2 LYS 3 9.127 1.933 -3.938 23 HD3 LYS 3 HD3 LYS 3 8.956 1.941 -5.695 24 HE2 LYS 3 HE2 LYS 3 8.355 4.107 -4.989 25 HE3 LYS 3 HE3 LYS 3 6.835 3.285 -5.338 26 HZ1 LYS 3 HZ1 LYS 3 6.177 3.531 -3.247 27 HZ2 LYS 3 HZ2 LYS 3 7.490 4.570 -3.014 28 HZ3 LYS 3 HZ3 LYS 3 7.630 2.930 -2.623 29 H GLU 4 H GLU 4 7.858 -3.148 -2.842 30 HA GLU 4 HA GLU 4 9.899 -4.749 -4.108 31 HB2 GLU 4 HB2 GLU 4 8.757 -4.594 -1.335 32 HB3 GLU 4 HB3 GLU 4 9.797 -5.933 -1.798 33 HG2 GLU 4 HG2 GLU 4 10.916 -3.360 -2.534 34 HG3 GLU 4 HG3 GLU 4 10.606 -3.496 -0.804 35 H HIS 5 H HIS 5 6.574 -5.151 -3.043 36 HA HIS 5 HA HIS 5 6.510 -7.979 -3.493 37 HB2 HIS 5 HB2 HIS 5 4.981 -6.486 -1.977 38 HB3 HIS 5 HB3 HIS 5 4.043 -6.277 -3.453 39 HD1 HIS 5 HD1 HIS 5 4.725 -8.665 -0.732 40 HD2 HIS 5 HD2 HIS 5 2.876 -8.701 -4.453 41 HE1 HIS 5 HE1 HIS 5 3.370 -10.783 -0.789 42 H ILE 6 H ILE 6 5.336 -5.138 -5.268 43 HA ILE 6 HA ILE 6 4.078 -6.430 -7.378 44 HB ILE 6 HB ILE 6 4.058 -3.959 -6.931 45 HG12 ILE 6 HG12 ILE 6 4.707 -4.881 -9.739 46 HG13 ILE 6 HG13 ILE 6 3.116 -4.861 -8.987 47 HG21 ILE 6 HG21 ILE 6 6.470 -3.648 -8.631 48 HG22 ILE 6 HG22 ILE 6 5.820 -2.589 -7.380 49 HG23 ILE 6 HG23 ILE 6 6.707 -4.044 -6.929 50 HD11 ILE 6 HD11 ILE 6 4.238 -2.248 -8.844 51 HD12 ILE 6 HD12 ILE 6 4.352 -2.843 -10.500 52 HD13 ILE 6 HD13 ILE 6 2.789 -2.795 -9.686 53 H LEU 7 H LEU 7 7.487 -5.813 -6.828 54 HA LEU 7 HA LEU 7 8.342 -6.534 -9.452 55 HB2 LEU 7 HB2 LEU 7 9.628 -5.108 -7.861 56 HB3 LEU 7 HB3 LEU 7 9.942 -6.551 -6.899 57 HG LEU 7 HG LEU 7 11.043 -7.498 -9.005 58 HD11 LEU 7 HD11 LEU 7 10.291 -4.834 -9.912 59 HD12 LEU 7 HD12 LEU 7 10.760 -6.259 -10.838 60 HD13 LEU 7 HD13 LEU 7 11.998 -5.202 -10.161 61 HD21 LEU 7 HD21 LEU 7 11.998 -5.954 -6.886 62 HD22 LEU 7 HD22 LEU 7 12.789 -5.308 -8.324 63 HD23 LEU 7 HD23 LEU 7 12.931 -7.023 -7.934 64 H ALA 8 H ALA 8 7.794 -8.265 -6.462 65 HA ALA 8 HA ALA 8 9.179 -10.604 -6.843 66 HB1 ALA 8 HB1 ALA 8 6.359 -10.578 -5.806 67 HB2 ALA 8 HB2 ALA 8 7.691 -11.636 -5.340 68 HB3 ALA 8 HB3 ALA 8 7.715 -9.934 -4.879 69 H GLN 9 H GLN 9 6.225 -9.549 -8.413 70 HA GLN 9 HA GLN 9 5.585 -12.058 -9.594 71 HB2 GLN 9 HB2 GLN 9 4.779 -9.293 -10.509 72 HB3 GLN 9 HB3 GLN 9 4.001 -10.807 -10.949 73 HG2 GLN 9 HG2 GLN 9 4.196 -9.920 -8.095 74 HG3 GLN 9 HG3 GLN 9 2.903 -9.359 -9.154 75 HE21 GLN 9 HE21 GLN 9 3.067 -11.181 -6.733 76 HE22 GLN 9 HE22 GLN 9 2.178 -12.584 -7.208 77 H LYS 10 H LYS 10 7.307 -9.180 -10.732 78 HA LYS 10 HA LYS 10 7.691 -9.846 -13.381 79 HB2 LYS 10 HB2 LYS 10 8.436 -7.721 -12.828 80 HB3 LYS 10 HB3 LYS 10 9.298 -8.281 -11.401 81 HG2 LYS 10 HG2 LYS 10 10.271 -9.231 -14.031 82 HG3 LYS 10 HG3 LYS 10 10.539 -7.534 -13.626 83 HD2 LYS 10 HD2 LYS 10 11.977 -8.027 -11.923 84 HD3 LYS 10 HD3 LYS 10 11.190 -9.564 -11.558 85 HE2 LYS 10 HE2 LYS 10 12.145 -10.084 -14.026 86 HE3 LYS 10 HE3 LYS 10 13.360 -8.940 -13.458 87 HZ1 LYS 10 HZ1 LYS 10 12.776 -10.832 -11.438 88 HZ2 LYS 10 HZ2 LYS 10 14.253 -10.505 -12.195 89 HZ3 LYS 10 HZ3 LYS 10 13.190 -11.635 -12.869 90 H GLU 11 H GLU 11 9.285 -11.109 -10.537 91 HA GLU 11 HA GLU 11 11.388 -12.431 -11.958 92 HB2 GLU 11 HB2 GLU 11 10.844 -11.849 -9.290 93 HB3 GLU 11 HB3 GLU 11 10.741 -13.602 -9.378 94 HG2 GLU 11 HG2 GLU 11 13.006 -13.306 -10.706 95 HG3 GLU 11 HG3 GLU 11 13.071 -11.813 -9.772 96 H VAL 12 H VAL 12 8.171 -13.290 -10.867 97 HA VAL 12 HA VAL 12 8.437 -16.093 -11.353 98 HB VAL 12 HB VAL 12 5.908 -14.450 -11.166 99 HG11 VAL 12 HG11 VAL 12 4.907 -16.354 -11.738 100 HG12 VAL 12 HG12 VAL 12 6.421 -17.257 -11.648 101 HG13 VAL 12 HG13 VAL 12 5.452 -17.010 -10.194 102 HG21 VAL 12 HG21 VAL 12 6.751 -14.076 -9.089 103 HG22 VAL 12 HG22 VAL 12 6.043 -15.664 -8.795 104 HG23 VAL 12 HG23 VAL 12 7.770 -15.515 -9.121 105 H LEU 13 H LEU 13 6.554 -13.577 -13.050 106 HA LEU 13 HA LEU 13 5.782 -15.080 -15.237 107 HB2 LEU 13 HB2 LEU 13 5.745 -12.850 -16.453 108 HB3 LEU 13 HB3 LEU 13 4.774 -12.990 -14.989 109 HG LEU 13 HG LEU 13 7.156 -11.969 -14.057 110 HD11 LEU 13 HD11 LEU 13 8.151 -11.429 -16.081 111 HD12 LEU 13 HD12 LEU 13 7.361 -9.924 -15.614 112 HD13 LEU 13 HD13 LEU 13 6.621 -10.968 -16.827 113 HD21 LEU 13 HD21 LEU 13 5.780 -9.762 -14.159 114 HD22 LEU 13 HD22 LEU 13 5.209 -11.107 -13.171 115 HD23 LEU 13 HD23 LEU 13 4.493 -10.810 -14.755 116 H THR 14 H THR 14 6.546 -14.577 -17.560 117 HA THR 14 HA THR 14 9.229 -15.521 -17.790 118 HB THR 14 HB THR 14 8.575 -14.750 -20.332 119 HG1 THR 14 HG1 THR 14 6.453 -14.673 -20.567 120 HG21 THR 14 HG21 THR 14 7.372 -17.294 -19.410 121 HG22 THR 14 HG22 THR 14 9.091 -17.067 -19.086 122 HG23 THR 14 HG23 THR 14 8.487 -16.984 -20.740 123 HA PRO 15 HA PRO 15 11.560 -11.845 -18.342 124 HB2 PRO 15 HB2 PRO 15 13.182 -12.449 -20.433 125 HB3 PRO 15 HB3 PRO 15 13.377 -13.163 -18.828 126 HG2 PRO 15 HG2 PRO 15 12.062 -14.306 -21.262 127 HG3 PRO 15 HG3 PRO 15 13.152 -15.093 -20.106 128 HD2 PRO 15 HD2 PRO 15 10.464 -15.416 -20.027 129 HD3 PRO 15 HD3 PRO 15 11.472 -15.438 -18.566 130 H ILE 16 H ILE 16 9.900 -13.087 -21.169 131 HA ILE 16 HA ILE 16 10.238 -10.720 -22.747 132 HB ILE 16 HB ILE 16 8.620 -13.217 -23.020 133 HG12 ILE 16 HG12 ILE 16 10.056 -12.178 -25.334 134 HG13 ILE 16 HG13 ILE 16 11.100 -12.354 -23.928 135 HG21 ILE 16 HG21 ILE 16 6.987 -11.646 -23.672 136 HG22 ILE 16 HG22 ILE 16 8.169 -10.656 -24.525 137 HG23 ILE 16 HG23 ILE 16 7.710 -12.232 -25.170 138 HD11 ILE 16 HD11 ILE 16 9.503 -14.688 -24.145 139 HD12 ILE 16 HD12 ILE 16 10.214 -14.342 -25.722 140 HD13 ILE 16 HD13 ILE 16 11.251 -14.521 -24.306 141 H GLU 17 H GLU 17 7.839 -11.916 -20.493 142 HA GLU 17 HA GLU 17 5.906 -9.880 -21.142 143 HB2 GLU 17 HB2 GLU 17 6.066 -12.177 -19.283 144 HB3 GLU 17 HB3 GLU 17 5.052 -10.837 -18.765 145 HG2 GLU 17 HG2 GLU 17 3.550 -12.157 -19.884 146 HG3 GLU 17 HG3 GLU 17 4.036 -11.024 -21.144 147 H TYR 18 H TYR 18 8.377 -10.406 -18.702 148 HA TYR 18 HA TYR 18 7.686 -8.421 -16.879 149 HB2 TYR 18 HB2 TYR 18 9.460 -9.360 -15.895 150 HB3 TYR 18 HB3 TYR 18 9.971 -10.086 -17.414 151 HD1 TYR 18 HD1 TYR 18 11.918 -9.349 -18.472 152 HD2 TYR 18 HD2 TYR 18 10.135 -6.916 -15.472 153 HE1 TYR 18 HE1 TYR 18 13.867 -7.850 -18.538 154 HE2 TYR 18 HE2 TYR 18 12.078 -5.409 -15.530 155 HH TYR 18 HH TYR 18 14.638 -5.735 -16.229 156 H GLU 19 H GLU 19 9.374 -8.206 -19.948 157 HA GLU 19 HA GLU 19 10.498 -5.693 -19.792 158 HB2 GLU 19 HB2 GLU 19 10.154 -7.558 -21.776 159 HB3 GLU 19 HB3 GLU 19 9.173 -6.219 -22.356 160 HG2 GLU 19 HG2 GLU 19 10.971 -4.829 -22.620 161 HG3 GLU 19 HG3 GLU 19 11.928 -5.655 -21.392 162 H HIS 20 H HIS 20 7.148 -6.578 -20.431 163 HA HIS 20 HA HIS 20 6.378 -3.798 -20.795 164 HB2 HIS 20 HB2 HIS 20 4.694 -6.311 -20.768 165 HB3 HIS 20 HB3 HIS 20 4.124 -4.702 -21.199 166 HD1 HIS 20 HD1 HIS 20 4.792 -3.787 -23.515 167 HD2 HIS 20 HD2 HIS 20 6.222 -7.608 -22.728 168 HE1 HIS 20 HE1 HIS 20 5.607 -4.668 -25.725 169 H TYR 21 H TYR 21 6.353 -6.251 -18.339 170 HA TYR 21 HA TYR 21 4.367 -5.451 -16.629 171 HB2 TYR 21 HB2 TYR 21 5.438 -7.322 -15.846 172 HB3 TYR 21 HB3 TYR 21 7.038 -6.707 -16.244 173 HD1 TYR 21 HD1 TYR 21 4.307 -6.581 -13.768 174 HD2 TYR 21 HD2 TYR 21 8.321 -5.477 -14.648 175 HE1 TYR 21 HE1 TYR 21 4.648 -5.965 -11.411 176 HE2 TYR 21 HE2 TYR 21 8.673 -4.860 -12.293 177 HH TYR 21 HH TYR 21 7.732 -4.607 -10.295 178 H VAL 22 H VAL 22 7.644 -4.114 -16.877 179 HA VAL 22 HA VAL 22 7.125 -2.114 -14.862 180 HB VAL 22 HB VAL 22 9.468 -2.556 -16.710 181 HG11 VAL 22 HG11 VAL 22 8.768 -0.257 -15.016 182 HG12 VAL 22 HG12 VAL 22 10.408 -0.874 -14.808 183 HG13 VAL 22 HG13 VAL 22 9.853 -0.360 -16.402 184 HG21 VAL 22 HG21 VAL 22 8.808 -3.279 -13.907 185 HG22 VAL 22 HG22 VAL 22 9.700 -4.185 -15.131 186 HG23 VAL 22 HG23 VAL 22 10.480 -2.854 -14.276 187 H LYS 23 H LYS 23 6.814 -2.395 -18.278 188 HA LYS 23 HA LYS 23 7.021 0.325 -19.002 189 HB2 LYS 23 HB2 LYS 23 5.623 -2.028 -20.262 190 HB3 LYS 23 HB3 LYS 23 5.584 -0.425 -20.983 191 HG2 LYS 23 HG2 LYS 23 8.196 -1.695 -20.282 192 HG3 LYS 23 HG3 LYS 23 7.355 -2.134 -21.770 193 HD2 LYS 23 HD2 LYS 23 7.215 0.553 -21.921 194 HD3 LYS 23 HD3 LYS 23 8.728 0.372 -21.030 195 HE2 LYS 23 HE2 LYS 23 8.343 -1.368 -23.394 196 HE3 LYS 23 HE3 LYS 23 8.593 0.349 -23.703 197 HZ1 LYS 23 HZ1 LYS 23 10.526 -1.543 -23.180 198 HZ2 LYS 23 HZ2 LYS 23 10.440 -0.608 -21.774 199 HZ3 LYS 23 HZ3 LYS 23 10.741 0.133 -23.264 200 H HIS 24 H HIS 24 4.349 -1.638 -17.826 201 HA HIS 24 HA HIS 24 2.372 0.400 -18.248 202 HB2 HIS 24 HB2 HIS 24 1.296 -1.610 -18.229 203 HB3 HIS 24 HB3 HIS 24 2.435 -2.330 -17.096 204 HD1 HIS 24 HD1 HIS 24 -0.140 0.473 -16.837 205 HD2 HIS 24 HD2 HIS 24 1.158 -2.907 -14.799 206 HE1 HIS 24 HE1 HIS 24 -1.584 0.331 -14.783 207 H LEU 25 H LEU 25 4.430 -0.629 -15.607 208 HA LEU 25 HA LEU 25 3.193 0.609 -13.458 209 HB2 LEU 25 HB2 LEU 25 5.994 -0.125 -14.120 210 HB3 LEU 25 HB3 LEU 25 5.725 0.941 -12.742 211 HG LEU 25 HG LEU 25 4.835 -0.712 -11.462 212 HD11 LEU 25 HD11 LEU 25 3.702 -2.735 -12.444 213 HD12 LEU 25 HD12 LEU 25 3.837 -1.949 -14.017 214 HD13 LEU 25 HD13 LEU 25 2.895 -1.193 -12.732 215 HD21 LEU 25 HD21 LEU 25 6.400 -2.312 -11.451 216 HD22 LEU 25 HD22 LEU 25 7.085 -1.447 -12.827 217 HD23 LEU 25 HD23 LEU 25 6.021 -2.828 -13.095 218 H PHE 26 H PHE 26 5.540 1.961 -15.753 219 HA PHE 26 HA PHE 26 5.971 4.439 -14.677 220 HB2 PHE 26 HB2 PHE 26 5.562 3.790 -17.604 221 HB3 PHE 26 HB3 PHE 26 6.336 5.244 -16.983 222 HD1 PHE 26 HD1 PHE 26 6.996 2.227 -18.442 223 HD2 PHE 26 HD2 PHE 26 8.243 4.589 -15.128 224 HE1 PHE 26 HE1 PHE 26 9.162 1.059 -18.430 225 HE2 PHE 26 HE2 PHE 26 10.411 3.426 -15.111 226 HZ PHE 26 HZ PHE 26 10.874 1.659 -16.763 227 H ASP 27 H ASP 27 3.097 3.259 -16.265 228 HA ASP 27 HA ASP 27 1.761 5.547 -16.956 229 HB2 ASP 27 HB2 ASP 27 0.895 3.257 -17.308 230 HB3 ASP 27 HB3 ASP 27 0.543 3.140 -15.586 231 H ILE 28 H ILE 28 1.772 4.017 -13.742 232 HA ILE 28 HA ILE 28 0.600 6.464 -12.624 233 HB ILE 28 HB ILE 28 -0.045 5.219 -10.719 234 HG12 ILE 28 HG12 ILE 28 1.733 3.016 -11.782 235 HG13 ILE 28 HG13 ILE 28 1.988 3.965 -10.322 236 HG21 ILE 28 HG21 ILE 28 -0.511 3.107 -12.754 237 HG22 ILE 28 HG22 ILE 28 -1.642 3.880 -11.644 238 HG23 ILE 28 HG23 ILE 28 -1.108 4.732 -13.092 239 HD11 ILE 28 HD11 ILE 28 -0.308 2.075 -10.774 240 HD12 ILE 28 HD12 ILE 28 1.153 1.709 -9.856 241 HD13 ILE 28 HD13 ILE 28 0.048 2.964 -9.294 242 H GLY 29 H GLY 29 3.467 4.486 -12.604 243 HA2 GLY 29 HA2 GLY 29 5.593 5.447 -12.067 244 HA3 GLY 29 HA3 GLY 29 4.782 6.525 -10.941 245 H GLU 30 H GLU 30 3.968 3.149 -11.023 246 HA GLU 30 HA GLU 30 4.378 2.751 -8.297 247 HB2 GLU 30 HB2 GLU 30 3.433 1.234 -10.471 248 HB3 GLU 30 HB3 GLU 30 4.723 0.284 -9.748 249 HG2 GLU 30 HG2 GLU 30 2.526 1.472 -8.093 250 HG3 GLU 30 HG3 GLU 30 2.349 -0.085 -8.900 251 H ILE 31 H ILE 31 6.333 1.306 -10.910 252 HA ILE 31 HA ILE 31 8.626 1.308 -9.060 253 HB ILE 31 HB ILE 31 8.145 -0.456 -11.464 254 HG12 ILE 31 HG12 ILE 31 6.694 -1.046 -9.595 255 HG13 ILE 31 HG13 ILE 31 7.949 -2.265 -9.790 256 HG21 ILE 31 HG21 ILE 31 10.142 -1.682 -10.622 257 HG22 ILE 31 HG22 ILE 31 10.493 -0.060 -11.218 258 HG23 ILE 31 HG23 ILE 31 10.412 -0.363 -9.483 259 HD11 ILE 31 HD11 ILE 31 8.306 -2.040 -7.614 260 HD12 ILE 31 HD12 ILE 31 9.044 -0.483 -7.993 261 HD13 ILE 31 HD13 ILE 31 7.344 -0.564 -7.530 262 H THR 32 H THR 32 10.606 2.077 -9.731 263 HA THR 32 HA THR 32 10.521 3.907 -11.994 264 HB THR 32 HB THR 32 12.596 4.824 -11.148 265 HG1 THR 32 HG1 THR 32 12.505 2.677 -9.272 266 HG21 THR 32 HG21 THR 32 10.185 4.948 -9.848 267 HG22 THR 32 HG22 THR 32 11.584 5.964 -9.498 268 HG23 THR 32 HG23 THR 32 11.292 4.507 -8.548 269 H LYS 33 H LYS 33 12.327 4.020 -13.510 270 HA LYS 33 HA LYS 33 12.791 1.665 -14.872 271 HB2 LYS 33 HB2 LYS 33 14.595 4.092 -14.841 272 HB3 LYS 33 HB3 LYS 33 14.527 2.865 -16.099 273 HG2 LYS 33 HG2 LYS 33 12.454 3.589 -16.866 274 HG3 LYS 33 HG3 LYS 33 12.100 4.459 -15.372 275 HD2 LYS 33 HD2 LYS 33 14.276 5.214 -17.321 276 HD3 LYS 33 HD3 LYS 33 12.670 5.946 -17.280 277 HE2 LYS 33 HE2 LYS 33 13.351 6.256 -14.712 278 HE3 LYS 33 HE3 LYS 33 14.960 6.267 -15.431 279 HZ1 LYS 33 HZ1 LYS 33 14.632 8.284 -16.277 280 HZ2 LYS 33 HZ2 LYS 33 13.295 8.401 -15.248 281 HZ3 LYS 33 HZ3 LYS 33 13.086 7.907 -16.852 282 H GLU 34 H GLU 34 14.544 3.037 -12.186 283 HA GLU 34 HA GLU 34 16.976 1.791 -12.294 284 HB2 GLU 34 HB2 GLU 34 15.707 3.265 -10.424 285 HB3 GLU 34 HB3 GLU 34 15.639 1.686 -9.654 286 HG2 GLU 34 HG2 GLU 34 18.049 1.486 -9.786 287 HG3 GLU 34 HG3 GLU 34 18.149 3.028 -10.633 288 H LEU 35 H LEU 35 13.977 0.418 -10.958 289 HA LEU 35 HA LEU 35 15.076 -2.090 -10.289 290 HB2 LEU 35 HB2 LEU 35 12.566 -0.811 -10.132 291 HB3 LEU 35 HB3 LEU 35 12.312 -2.334 -10.981 292 HG LEU 35 HG LEU 35 13.318 -3.539 -9.088 293 HD11 LEU 35 HD11 LEU 35 14.821 -1.947 -8.181 294 HD12 LEU 35 HD12 LEU 35 13.598 -2.250 -6.948 295 HD13 LEU 35 HD13 LEU 35 13.528 -0.777 -7.914 296 HD21 LEU 35 HD21 LEU 35 10.849 -2.984 -9.271 297 HD22 LEU 35 HD22 LEU 35 11.148 -1.719 -8.079 298 HD23 LEU 35 HD23 LEU 35 11.445 -3.408 -7.666 299 H TYR 36 H TYR 36 13.266 -0.999 -13.144 300 HA TYR 36 HA TYR 36 13.119 -3.410 -14.507 301 HB2 TYR 36 HB2 TYR 36 11.894 -1.876 -15.644 302 HB3 TYR 36 HB3 TYR 36 12.984 -0.554 -15.239 303 HD1 TYR 36 HD1 TYR 36 14.209 0.395 -16.949 304 HD2 TYR 36 HD2 TYR 36 12.917 -3.639 -17.351 305 HE1 TYR 36 HE1 TYR 36 15.137 0.331 -19.226 306 HE2 TYR 36 HE2 TYR 36 13.843 -3.715 -19.629 307 HH TYR 36 HH TYR 36 14.585 -1.119 -21.398 308 H ILE 37 H ILE 37 15.705 -0.988 -14.513 309 HA ILE 37 HA ILE 37 17.328 -2.393 -16.396 310 HB ILE 37 HB ILE 37 17.904 -0.124 -14.503 311 HG12 ILE 37 HG12 ILE 37 18.405 0.480 -17.232 312 HG13 ILE 37 HG13 ILE 37 16.856 -0.352 -17.159 313 HG21 ILE 37 HG21 ILE 37 19.967 -1.292 -14.640 314 HG22 ILE 37 HG22 ILE 37 19.787 -1.539 -16.376 315 HG23 ILE 37 HG23 ILE 37 20.082 0.080 -15.741 316 HD11 ILE 37 HD11 ILE 37 15.840 1.367 -16.142 317 HD12 ILE 37 HD12 ILE 37 17.248 1.755 -15.153 318 HD13 ILE 37 HD13 ILE 37 17.171 2.297 -16.829 319 H GLU 38 H GLU 38 17.518 -1.938 -12.868 320 HA GLU 38 HA GLU 38 19.785 -3.454 -12.376 321 HB2 GLU 38 HB2 GLU 38 18.512 -2.021 -10.731 322 HB3 GLU 38 HB3 GLU 38 17.370 -3.347 -10.568 323 HG2 GLU 38 HG2 GLU 38 20.211 -4.029 -10.186 324 HG3 GLU 38 HG3 GLU 38 19.481 -2.995 -8.959 325 H LEU 39 H LEU 39 16.403 -4.561 -12.102 326 HA LEU 39 HA LEU 39 16.926 -7.242 -11.629 327 HB2 LEU 39 HB2 LEU 39 14.635 -5.744 -12.800 328 HB3 LEU 39 HB3 LEU 39 14.637 -7.503 -12.910 329 HG LEU 39 HG LEU 39 13.343 -6.555 -10.989 330 HD11 LEU 39 HD11 LEU 39 15.655 -8.403 -10.436 331 HD12 LEU 39 HD12 LEU 39 14.014 -8.843 -10.908 332 HD13 LEU 39 HD13 LEU 39 14.315 -8.136 -9.320 333 HD21 LEU 39 HD21 LEU 39 14.789 -4.703 -10.412 334 HD22 LEU 39 HD22 LEU 39 16.100 -5.815 -10.015 335 HD23 LEU 39 HD23 LEU 39 14.634 -5.793 -9.034 336 H SER 40 H SER 40 16.794 -5.477 -14.665 337 HA SER 40 HA SER 40 16.703 -7.574 -16.474 338 HB2 SER 40 HB2 SER 40 17.227 -4.786 -16.570 339 HB3 SER 40 HB3 SER 40 18.522 -5.589 -17.459 340 HG SER 40 HG SER 40 15.882 -6.401 -17.909 341 H SER 41 H SER 41 17.907 -9.360 -16.158 342 HA SER 41 HA SER 41 20.799 -9.036 -15.739 343 HB2 SER 41 HB2 SER 41 19.064 -10.570 -14.319 344 HB3 SER 41 HB3 SER 41 19.618 -11.738 -15.519 345 HG SER 41 HG SER 41 21.773 -11.197 -14.889 346 H ASP 42 H ASP 42 19.646 -8.628 -18.310 347 HA ASP 42 HA ASP 42 20.432 -11.028 -19.803 348 HB2 ASP 42 HB2 ASP 42 18.332 -9.195 -20.135 349 HB3 ASP 42 HB3 ASP 42 19.452 -8.866 -21.453 350 H LEU 43 H LEU 43 21.188 -9.993 -22.196 351 HA LEU 43 HA LEU 43 23.615 -8.463 -21.522 352 HB2 LEU 43 HB2 LEU 43 23.363 -10.990 -22.705 353 HB3 LEU 43 HB3 LEU 43 23.809 -9.895 -24.012 354 HG LEU 43 HG LEU 43 25.793 -10.905 -23.110 355 HD11 LEU 43 HD11 LEU 43 25.638 -8.074 -22.093 356 HD12 LEU 43 HD12 LEU 43 25.840 -8.508 -23.790 357 HD13 LEU 43 HD13 LEU 43 27.077 -8.952 -22.613 358 HD21 LEU 43 HD21 LEU 43 24.598 -11.203 -20.800 359 HD22 LEU 43 HD22 LEU 43 25.357 -9.652 -20.438 360 HD23 LEU 43 HD23 LEU 43 26.352 -11.038 -20.885 Start of MODEL 3 1 H1 MET 1 H MET 1 0.109 -4.385 -7.860 2 HA MET 1 HA MET 1 0.440 -2.385 -6.599 3 HB2 MET 1 HB2 MET 1 -0.660 -2.841 -4.466 4 HB3 MET 1 HB3 MET 1 -1.449 -3.714 -5.773 5 HG2 MET 1 HG2 MET 1 -0.122 -5.728 -5.106 6 HG3 MET 1 HG3 MET 1 0.412 -4.823 -3.691 7 HE1 MET 1 HE1 MET 1 -0.470 -5.136 -1.645 8 HE2 MET 1 HE2 MET 1 -1.636 -3.822 -1.799 9 HE3 MET 1 HE3 MET 1 -2.150 -5.389 -1.171 10 H ASN 2 H ASN 2 1.505 -1.289 -4.874 11 HA ASN 2 HA ASN 2 3.308 -0.743 -3.602 12 HB2 ASN 2 HB2 ASN 2 2.380 -3.144 -2.597 13 HB3 ASN 2 HB3 ASN 2 4.093 -3.460 -2.853 14 HD21 ASN 2 HD21 ASN 2 2.498 -3.154 -0.389 15 HD22 ASN 2 HD22 ASN 2 3.292 -1.918 0.519 16 H LYS 3 H LYS 3 5.737 -1.785 -3.122 17 HA LYS 3 HA LYS 3 6.859 -2.113 -5.824 18 HB2 LYS 3 HB2 LYS 3 8.925 -1.152 -4.926 19 HB3 LYS 3 HB3 LYS 3 7.563 -0.066 -4.679 20 HG2 LYS 3 HG2 LYS 3 7.419 -1.153 -2.341 21 HG3 LYS 3 HG3 LYS 3 9.067 -1.692 -2.673 22 HD2 LYS 3 HD2 LYS 3 9.183 0.940 -3.387 23 HD3 LYS 3 HD3 LYS 3 8.047 0.982 -2.036 24 HE2 LYS 3 HE2 LYS 3 9.778 -0.461 -0.804 25 HE3 LYS 3 HE3 LYS 3 10.895 0.035 -2.075 26 HZ1 LYS 3 HZ1 LYS 3 9.471 1.787 -0.152 27 HZ2 LYS 3 HZ2 LYS 3 10.326 2.372 -1.488 28 HZ3 LYS 3 HZ3 LYS 3 11.139 1.530 -0.267 29 H GLU 4 H GLU 4 6.932 -3.335 -2.528 30 HA GLU 4 HA GLU 4 8.943 -5.319 -3.124 31 HB2 GLU 4 HB2 GLU 4 7.166 -5.125 -0.688 32 HB3 GLU 4 HB3 GLU 4 8.661 -6.039 -0.837 33 HG2 GLU 4 HG2 GLU 4 9.282 -3.377 -1.493 34 HG3 GLU 4 HG3 GLU 4 8.274 -3.324 -0.048 35 H HIS 5 H HIS 5 5.445 -5.197 -2.738 36 HA HIS 5 HA HIS 5 5.085 -8.032 -2.927 37 HB2 HIS 5 HB2 HIS 5 3.489 -6.440 -1.796 38 HB3 HIS 5 HB3 HIS 5 3.012 -5.885 -3.398 39 HD1 HIS 5 HD1 HIS 5 0.594 -6.766 -2.673 40 HD2 HIS 5 HD2 HIS 5 3.502 -9.682 -3.228 41 HE1 HIS 5 HE1 HIS 5 -0.660 -8.936 -2.882 42 H ILE 6 H ILE 6 4.740 -5.304 -5.161 43 HA ILE 6 HA ILE 6 3.705 -6.671 -7.353 44 HB ILE 6 HB ILE 6 4.008 -4.166 -7.112 45 HG12 ILE 6 HG12 ILE 6 4.887 -5.481 -9.692 46 HG13 ILE 6 HG13 ILE 6 3.224 -5.198 -9.188 47 HG21 ILE 6 HG21 ILE 6 6.652 -4.454 -8.438 48 HG22 ILE 6 HG22 ILE 6 6.017 -3.135 -7.456 49 HG23 ILE 6 HG23 ILE 6 6.572 -4.620 -6.684 50 HD11 ILE 6 HD11 ILE 6 4.667 -2.736 -9.121 51 HD12 ILE 6 HD12 ILE 6 4.886 -3.514 -10.688 52 HD13 ILE 6 HD13 ILE 6 3.262 -3.184 -10.087 53 H LEU 7 H LEU 7 6.976 -6.489 -6.134 54 HA LEU 7 HA LEU 7 8.450 -7.309 -8.319 55 HB2 LEU 7 HB2 LEU 7 8.836 -7.084 -5.527 56 HB3 LEU 7 HB3 LEU 7 9.410 -8.680 -6.007 57 HG LEU 7 HG LEU 7 10.958 -7.686 -7.582 58 HD11 LEU 7 HD11 LEU 7 10.072 -5.775 -8.460 59 HD12 LEU 7 HD12 LEU 7 11.180 -5.078 -7.279 60 HD13 LEU 7 HD13 LEU 7 9.462 -5.208 -6.906 61 HD21 LEU 7 HD21 LEU 7 11.007 -6.622 -4.775 62 HD22 LEU 7 HD22 LEU 7 12.318 -6.310 -5.914 63 HD23 LEU 7 HD23 LEU 7 11.917 -7.968 -5.463 64 H ALA 8 H ALA 8 6.421 -9.208 -6.177 65 HA ALA 8 HA ALA 8 7.273 -11.769 -6.988 66 HB1 ALA 8 HB1 ALA 8 5.500 -10.784 -5.131 67 HB2 ALA 8 HB2 ALA 8 4.454 -11.617 -6.282 68 HB3 ALA 8 HB3 ALA 8 5.774 -12.487 -5.500 69 H GLN 9 H GLN 9 4.982 -9.494 -8.348 70 HA GLN 9 HA GLN 9 3.628 -11.224 -10.090 71 HB2 GLN 9 HB2 GLN 9 4.249 -8.290 -10.470 72 HB3 GLN 9 HB3 GLN 9 3.024 -9.201 -11.342 73 HG2 GLN 9 HG2 GLN 9 3.060 -8.422 -8.448 74 HG3 GLN 9 HG3 GLN 9 1.875 -8.006 -9.685 75 HE21 GLN 9 HE21 GLN 9 2.965 -10.404 -7.449 76 HE22 GLN 9 HE22 GLN 9 1.616 -11.471 -7.609 77 H LYS 10 H LYS 10 6.393 -9.071 -10.748 78 HA LYS 10 HA LYS 10 6.809 -10.057 -13.380 79 HB2 LYS 10 HB2 LYS 10 8.716 -8.670 -13.445 80 HB3 LYS 10 HB3 LYS 10 7.567 -7.819 -12.421 81 HG2 LYS 10 HG2 LYS 10 9.156 -7.667 -10.890 82 HG3 LYS 10 HG3 LYS 10 9.048 -9.417 -10.681 83 HD2 LYS 10 HD2 LYS 10 10.604 -9.288 -12.882 84 HD3 LYS 10 HD3 LYS 10 11.076 -7.791 -12.076 85 HE2 LYS 10 HE2 LYS 10 11.108 -10.550 -10.856 86 HE3 LYS 10 HE3 LYS 10 12.517 -9.652 -11.418 87 HZ1 LYS 10 HZ1 LYS 10 11.107 -9.447 -8.942 88 HZ2 LYS 10 HZ2 LYS 10 11.263 -7.942 -9.698 89 HZ3 LYS 10 HZ3 LYS 10 12.640 -8.865 -9.358 90 H GLU 11 H GLU 11 7.443 -11.390 -10.360 91 HA GLU 11 HA GLU 11 9.765 -12.919 -11.227 92 HB2 GLU 11 HB2 GLU 11 9.231 -11.923 -8.828 93 HB3 GLU 11 HB3 GLU 11 8.379 -13.450 -8.640 94 HG2 GLU 11 HG2 GLU 11 10.827 -14.173 -9.708 95 HG3 GLU 11 HG3 GLU 11 11.213 -12.887 -8.566 96 H VAL 12 H VAL 12 6.340 -13.252 -10.896 97 HA VAL 12 HA VAL 12 6.440 -16.157 -11.125 98 HB VAL 12 HB VAL 12 3.980 -16.053 -10.979 99 HG11 VAL 12 HG11 VAL 12 5.852 -15.181 -8.952 100 HG12 VAL 12 HG12 VAL 12 4.233 -14.540 -8.665 101 HG13 VAL 12 HG13 VAL 12 4.480 -16.280 -8.821 102 HG21 VAL 12 HG21 VAL 12 4.065 -13.635 -12.025 103 HG22 VAL 12 HG22 VAL 12 2.756 -14.117 -10.946 104 HG23 VAL 12 HG23 VAL 12 4.096 -13.150 -10.330 105 H LEU 13 H LEU 13 7.209 -14.124 -13.282 106 HA LEU 13 HA LEU 13 5.724 -15.451 -15.432 107 HB2 LEU 13 HB2 LEU 13 5.762 -13.205 -16.645 108 HB3 LEU 13 HB3 LEU 13 4.564 -13.436 -15.373 109 HG LEU 13 HG LEU 13 6.330 -12.239 -13.873 110 HD11 LEU 13 HD11 LEU 13 8.161 -12.178 -15.407 111 HD12 LEU 13 HD12 LEU 13 7.586 -10.527 -15.178 112 HD13 LEU 13 HD13 LEU 13 7.167 -11.411 -16.646 113 HD21 LEU 13 HD21 LEU 13 5.415 -10.001 -14.793 114 HD22 LEU 13 HD22 LEU 13 4.284 -11.180 -14.129 115 HD23 LEU 13 HD23 LEU 13 4.469 -11.022 -15.876 116 H THR 14 H THR 14 6.814 -15.371 -17.508 117 HA THR 14 HA THR 14 9.469 -16.096 -17.433 118 HB THR 14 HB THR 14 9.271 -15.065 -19.964 119 HG1 THR 14 HG1 THR 14 7.246 -14.498 -20.212 120 HG21 THR 14 HG21 THR 14 7.935 -17.536 -20.044 121 HG22 THR 14 HG22 THR 14 9.031 -17.617 -18.665 122 HG23 THR 14 HG23 THR 14 9.658 -17.238 -20.269 123 HA PRO 15 HA PRO 15 11.952 -12.485 -17.199 124 HB2 PRO 15 HB2 PRO 15 13.944 -13.016 -18.966 125 HB3 PRO 15 HB3 PRO 15 13.792 -13.844 -17.412 126 HG2 PRO 15 HG2 PRO 15 12.961 -14.763 -20.137 127 HG3 PRO 15 HG3 PRO 15 13.773 -15.672 -18.849 128 HD2 PRO 15 HD2 PRO 15 11.117 -15.885 -19.330 129 HD3 PRO 15 HD3 PRO 15 11.809 -16.048 -17.704 130 H ILE 16 H ILE 16 10.881 -13.466 -20.393 131 HA ILE 16 HA ILE 16 11.590 -11.014 -21.688 132 HB ILE 16 HB ILE 16 9.996 -13.418 -22.462 133 HG12 ILE 16 HG12 ILE 16 11.839 -12.348 -24.412 134 HG13 ILE 16 HG13 ILE 16 12.625 -12.499 -22.844 135 HG21 ILE 16 HG21 ILE 16 8.558 -11.746 -23.298 136 HG22 ILE 16 HG22 ILE 16 9.908 -10.744 -23.829 137 HG23 ILE 16 HG23 ILE 16 9.548 -12.253 -24.666 138 HD11 ILE 16 HD11 ILE 16 11.910 -14.858 -22.759 139 HD12 ILE 16 HD12 ILE 16 11.240 -14.681 -24.381 140 HD13 ILE 16 HD13 ILE 16 12.974 -14.500 -24.118 141 H GLU 17 H GLU 17 8.709 -12.286 -20.128 142 HA GLU 17 HA GLU 17 7.002 -10.151 -20.984 143 HB2 GLU 17 HB2 GLU 17 6.768 -12.471 -19.132 144 HB3 GLU 17 HB3 GLU 17 5.641 -11.139 -18.919 145 HG2 GLU 17 HG2 GLU 17 5.576 -11.585 -21.632 146 HG3 GLU 17 HG3 GLU 17 5.725 -13.206 -20.955 147 H TYR 18 H TYR 18 8.939 -10.843 -18.131 148 HA TYR 18 HA TYR 18 7.965 -8.906 -16.396 149 HB2 TYR 18 HB2 TYR 18 9.496 -9.966 -15.154 150 HB3 TYR 18 HB3 TYR 18 10.313 -10.581 -16.587 151 HD1 TYR 18 HD1 TYR 18 10.046 -7.562 -14.427 152 HD2 TYR 18 HD2 TYR 18 12.428 -9.779 -17.168 153 HE1 TYR 18 HE1 TYR 18 11.946 -6.066 -13.977 154 HE2 TYR 18 HE2 TYR 18 14.335 -8.291 -16.724 155 HH TYR 18 HH TYR 18 14.182 -5.416 -15.523 156 H GLU 19 H GLU 19 10.437 -8.636 -18.918 157 HA GLU 19 HA GLU 19 11.335 -6.064 -18.420 158 HB2 GLU 19 HB2 GLU 19 11.162 -7.785 -20.841 159 HB3 GLU 19 HB3 GLU 19 11.501 -6.077 -21.084 160 HG2 GLU 19 HG2 GLU 19 13.427 -6.255 -19.580 161 HG3 GLU 19 HG3 GLU 19 13.096 -7.974 -19.376 162 H HIS 20 H HIS 20 8.413 -7.141 -20.038 163 HA HIS 20 HA HIS 20 7.688 -4.443 -20.822 164 HB2 HIS 20 HB2 HIS 20 6.552 -7.169 -21.268 165 HB3 HIS 20 HB3 HIS 20 5.482 -5.779 -21.427 166 HD1 HIS 20 HD1 HIS 20 5.669 -4.408 -23.536 167 HD2 HIS 20 HD2 HIS 20 8.710 -7.213 -23.160 168 HE1 HIS 20 HE1 HIS 20 6.866 -4.402 -25.747 169 H TYR 21 H TYR 21 7.094 -6.652 -18.231 170 HA TYR 21 HA TYR 21 4.649 -5.752 -17.262 171 HB2 TYR 21 HB2 TYR 21 5.174 -7.468 -15.915 172 HB3 TYR 21 HB3 TYR 21 6.894 -7.295 -16.248 173 HD1 TYR 21 HD1 TYR 21 4.203 -6.581 -13.923 174 HD2 TYR 21 HD2 TYR 21 8.273 -5.771 -14.860 175 HE1 TYR 21 HE1 TYR 21 4.548 -5.715 -11.647 176 HE2 TYR 21 HE2 TYR 21 8.630 -4.904 -12.587 177 HH TYR 21 HH TYR 21 7.544 -5.231 -10.299 178 H VAL 22 H VAL 22 7.786 -4.275 -17.152 179 HA VAL 22 HA VAL 22 7.083 -2.363 -15.105 180 HB VAL 22 HB VAL 22 9.468 -2.463 -16.957 181 HG11 VAL 22 HG11 VAL 22 9.121 -0.197 -16.249 182 HG12 VAL 22 HG12 VAL 22 8.888 -0.707 -14.576 183 HG13 VAL 22 HG13 VAL 22 10.473 -0.866 -15.335 184 HG21 VAL 22 HG21 VAL 22 9.067 -3.355 -14.108 185 HG22 VAL 22 HG22 VAL 22 9.500 -4.351 -15.498 186 HG23 VAL 22 HG23 VAL 22 10.650 -3.174 -14.863 187 H LYS 23 H LYS 23 6.758 -2.623 -18.504 188 HA LYS 23 HA LYS 23 6.858 0.045 -19.314 189 HB2 LYS 23 HB2 LYS 23 5.105 -2.188 -20.355 190 HB3 LYS 23 HB3 LYS 23 5.392 -0.663 -21.183 191 HG2 LYS 23 HG2 LYS 23 7.679 -2.430 -20.416 192 HG3 LYS 23 HG3 LYS 23 6.742 -2.745 -21.878 193 HD2 LYS 23 HD2 LYS 23 7.168 -0.211 -22.349 194 HD3 LYS 23 HD3 LYS 23 8.502 -0.423 -21.212 195 HE2 LYS 23 HE2 LYS 23 8.627 -2.611 -22.958 196 HE3 LYS 23 HE3 LYS 23 8.308 -1.206 -23.974 197 HZ1 LYS 23 HZ1 LYS 23 10.537 -1.023 -23.863 198 HZ2 LYS 23 HZ2 LYS 23 10.663 -1.859 -22.398 199 HZ3 LYS 23 HZ3 LYS 23 10.206 -0.230 -22.405 200 H HIS 24 H HIS 24 4.252 -1.807 -17.833 201 HA HIS 24 HA HIS 24 2.303 0.275 -18.117 202 HB2 HIS 24 HB2 HIS 24 1.208 -1.724 -17.927 203 HB3 HIS 24 HB3 HIS 24 2.414 -2.405 -16.840 204 HD1 HIS 24 HD1 HIS 24 -0.031 0.506 -16.527 205 HD2 HIS 24 HD2 HIS 24 1.252 -2.858 -14.455 206 HE1 HIS 24 HE1 HIS 24 -1.333 0.505 -14.376 207 H LEU 25 H LEU 25 4.578 -0.731 -15.648 208 HA LEU 25 HA LEU 25 3.598 0.623 -13.439 209 HB2 LEU 25 HB2 LEU 25 6.301 -0.217 -14.343 210 HB3 LEU 25 HB3 LEU 25 6.193 0.898 -12.983 211 HG LEU 25 HG LEU 25 5.331 -0.683 -11.576 212 HD11 LEU 25 HD11 LEU 25 4.127 -2.715 -12.360 213 HD12 LEU 25 HD12 LEU 25 4.247 -2.095 -14.006 214 HD13 LEU 25 HD13 LEU 25 3.336 -1.199 -12.791 215 HD21 LEU 25 HD21 LEU 25 6.880 -2.307 -11.585 216 HD22 LEU 25 HD22 LEU 25 7.525 -1.447 -12.983 217 HD23 LEU 25 HD23 LEU 25 6.464 -2.837 -13.214 218 H PHE 26 H PHE 26 5.739 1.819 -16.005 219 HA PHE 26 HA PHE 26 6.332 4.324 -15.061 220 HB2 PHE 26 HB2 PHE 26 5.670 3.560 -17.913 221 HB3 PHE 26 HB3 PHE 26 6.508 5.030 -17.428 222 HD1 PHE 26 HD1 PHE 26 7.032 1.975 -18.829 223 HD2 PHE 26 HD2 PHE 26 8.536 4.397 -15.669 224 HE1 PHE 26 HE1 PHE 26 9.179 0.778 -18.938 225 HE2 PHE 26 HE2 PHE 26 10.686 3.205 -15.774 226 HZ PHE 26 HZ PHE 26 11.010 1.393 -17.411 227 H ASP 27 H ASP 27 3.305 3.160 -16.341 228 HA ASP 27 HA ASP 27 1.972 5.458 -17.017 229 HB2 ASP 27 HB2 ASP 27 1.139 3.025 -17.036 230 HB3 ASP 27 HB3 ASP 27 0.649 3.312 -15.368 231 H ILE 28 H ILE 28 2.213 4.050 -13.756 232 HA ILE 28 HA ILE 28 1.198 6.569 -12.643 233 HB ILE 28 HB ILE 28 0.689 5.415 -10.643 234 HG12 ILE 28 HG12 ILE 28 2.327 3.129 -11.756 235 HG13 ILE 28 HG13 ILE 28 2.723 4.131 -10.364 236 HG21 ILE 28 HG21 ILE 28 0.013 3.235 -12.544 237 HG22 ILE 28 HG22 ILE 28 -1.005 4.074 -11.374 238 HG23 ILE 28 HG23 ILE 28 -0.580 4.858 -12.896 239 HD11 ILE 28 HD11 ILE 28 0.358 2.281 -10.541 240 HD12 ILE 28 HD12 ILE 28 1.884 1.915 -9.737 241 HD13 ILE 28 HD13 ILE 28 0.860 3.218 -9.134 242 H GLY 29 H GLY 29 4.013 4.522 -12.785 243 HA2 GLY 29 HA2 GLY 29 6.197 5.455 -12.471 244 HA3 GLY 29 HA3 GLY 29 5.507 6.588 -11.318 245 H GLU 30 H GLU 30 4.629 3.227 -11.215 246 HA GLU 30 HA GLU 30 5.244 2.903 -8.523 247 HB2 GLU 30 HB2 GLU 30 4.146 1.324 -10.583 248 HB3 GLU 30 HB3 GLU 30 5.472 0.389 -9.907 249 HG2 GLU 30 HG2 GLU 30 3.273 1.619 -8.266 250 HG3 GLU 30 HG3 GLU 30 3.259 -0.041 -8.860 251 H ILE 31 H ILE 31 6.983 1.296 -11.191 252 HA ILE 31 HA ILE 31 9.416 1.401 -9.534 253 HB ILE 31 HB ILE 31 8.815 -0.504 -11.799 254 HG12 ILE 31 HG12 ILE 31 7.349 -0.875 -9.841 255 HG13 ILE 31 HG13 ILE 31 8.480 -2.202 -10.082 256 HG21 ILE 31 HG21 ILE 31 11.035 -0.512 -9.757 257 HG22 ILE 31 HG22 ILE 31 10.784 -1.704 -11.032 258 HG23 ILE 31 HG23 ILE 31 11.200 -0.042 -11.449 259 HD11 ILE 31 HD11 ILE 31 8.017 -0.806 -7.737 260 HD12 ILE 31 HD12 ILE 31 9.337 -1.931 -8.059 261 HD13 ILE 31 HD13 ILE 31 9.570 -0.202 -8.313 262 H THR 32 H THR 32 11.329 2.127 -10.400 263 HA THR 32 HA THR 32 11.075 3.764 -12.795 264 HB THR 32 HB THR 32 13.202 4.750 -12.169 265 HG1 THR 32 HG1 THR 32 13.222 2.813 -10.073 266 HG21 THR 32 HG21 THR 32 11.519 4.438 -9.683 267 HG22 THR 32 HG22 THR 32 11.104 5.499 -11.030 268 HG23 THR 32 HG23 THR 32 12.573 5.789 -10.099 269 H LYS 33 H LYS 33 12.765 3.754 -14.437 270 HA LYS 33 HA LYS 33 13.170 1.291 -15.615 271 HB2 LYS 33 HB2 LYS 33 14.941 3.720 -15.929 272 HB3 LYS 33 HB3 LYS 33 14.785 2.391 -17.070 273 HG2 LYS 33 HG2 LYS 33 12.648 3.042 -17.725 274 HG3 LYS 33 HG3 LYS 33 12.413 4.045 -16.292 275 HD2 LYS 33 HD2 LYS 33 14.402 4.611 -18.490 276 HD3 LYS 33 HD3 LYS 33 12.813 5.366 -18.347 277 HE2 LYS 33 HE2 LYS 33 13.757 5.871 -15.894 278 HE3 LYS 33 HE3 LYS 33 15.283 5.807 -16.775 279 HZ1 LYS 33 HZ1 LYS 33 13.686 7.975 -16.583 280 HZ2 LYS 33 HZ2 LYS 33 13.245 7.354 -18.093 281 HZ3 LYS 33 HZ3 LYS 33 14.861 7.741 -17.777 282 H GLU 34 H GLU 34 15.069 2.903 -13.177 283 HA GLU 34 HA GLU 34 17.511 1.672 -13.354 284 HB2 GLU 34 HB2 GLU 34 17.347 3.275 -11.676 285 HB3 GLU 34 HB3 GLU 34 15.873 2.580 -11.017 286 HG2 GLU 34 HG2 GLU 34 16.980 1.093 -9.728 287 HG3 GLU 34 HG3 GLU 34 18.294 0.898 -10.887 288 H LEU 35 H LEU 35 14.497 0.337 -12.144 289 HA LEU 35 HA LEU 35 15.734 -2.096 -11.207 290 HB2 LEU 35 HB2 LEU 35 13.260 -0.783 -10.847 291 HB3 LEU 35 HB3 LEU 35 12.908 -2.356 -11.561 292 HG LEU 35 HG LEU 35 14.297 -3.364 -9.697 293 HD11 LEU 35 HD11 LEU 35 15.556 -1.585 -8.862 294 HD12 LEU 35 HD12 LEU 35 14.319 -1.849 -7.633 295 HD13 LEU 35 HD13 LEU 35 14.157 -0.514 -8.774 296 HD21 LEU 35 HD21 LEU 35 11.706 -3.039 -9.868 297 HD22 LEU 35 HD22 LEU 35 11.965 -1.904 -8.543 298 HD23 LEU 35 HD23 LEU 35 12.440 -3.594 -8.363 299 H TYR 36 H TYR 36 13.570 -1.191 -13.881 300 HA TYR 36 HA TYR 36 13.250 -3.661 -15.069 301 HB2 TYR 36 HB2 TYR 36 11.947 -1.993 -16.018 302 HB3 TYR 36 HB3 TYR 36 13.291 -0.862 -16.130 303 HD1 TYR 36 HD1 TYR 36 11.638 -3.734 -17.711 304 HD2 TYR 36 HD2 TYR 36 14.785 -0.888 -18.026 305 HE1 TYR 36 HE1 TYR 36 11.946 -4.346 -20.073 306 HE2 TYR 36 HE2 TYR 36 15.101 -1.491 -20.390 307 HH TYR 36 HH TYR 36 14.044 -4.196 -21.754 308 H ILE 37 H ILE 37 15.972 -1.449 -15.261 309 HA ILE 37 HA ILE 37 17.331 -3.035 -17.262 310 HB ILE 37 HB ILE 37 18.151 -0.599 -15.691 311 HG12 ILE 37 HG12 ILE 37 18.318 -0.280 -18.510 312 HG13 ILE 37 HG13 ILE 37 16.772 -1.045 -18.158 313 HG21 ILE 37 HG21 ILE 37 20.157 -1.850 -15.966 314 HG22 ILE 37 HG22 ILE 37 19.761 -2.230 -17.642 315 HG23 ILE 37 HG23 ILE 37 20.165 -0.575 -17.184 316 HD11 ILE 37 HD11 ILE 37 15.945 0.790 -17.148 317 HD12 ILE 37 HD12 ILE 37 17.505 1.258 -16.472 318 HD13 ILE 37 HD13 ILE 37 17.140 1.597 -18.164 319 H GLU 38 H GLU 38 17.923 -2.168 -13.855 320 HA GLU 38 HA GLU 38 20.189 -3.686 -13.415 321 HB2 GLU 38 HB2 GLU 38 17.945 -2.796 -11.641 322 HB3 GLU 38 HB3 GLU 38 19.178 -3.876 -11.004 323 HG2 GLU 38 HG2 GLU 38 19.940 -1.340 -12.392 324 HG3 GLU 38 HG3 GLU 38 19.454 -1.336 -10.697 325 H LEU 39 H LEU 39 16.841 -4.679 -12.673 326 HA LEU 39 HA LEU 39 17.429 -7.325 -12.009 327 HB2 LEU 39 HB2 LEU 39 14.992 -5.867 -12.891 328 HB3 LEU 39 HB3 LEU 39 14.953 -7.629 -12.892 329 HG LEU 39 HG LEU 39 15.417 -7.664 -10.507 330 HD11 LEU 39 HD11 LEU 39 15.974 -4.814 -10.978 331 HD12 LEU 39 HD12 LEU 39 16.659 -5.929 -9.796 332 HD13 LEU 39 HD13 LEU 39 15.087 -5.186 -9.499 333 HD21 LEU 39 HD21 LEU 39 13.184 -5.745 -11.162 334 HD22 LEU 39 HD22 LEU 39 13.323 -6.741 -9.713 335 HD23 LEU 39 HD23 LEU 39 13.087 -7.502 -11.287 336 H SER 40 H SER 40 16.811 -5.820 -15.124 337 HA SER 40 HA SER 40 16.469 -8.133 -16.664 338 HB2 SER 40 HB2 SER 40 15.924 -6.258 -17.877 339 HB3 SER 40 HB3 SER 40 17.264 -5.315 -17.225 340 HG SER 40 HG SER 40 17.192 -6.398 -19.554 341 H SER 41 H SER 41 19.403 -6.114 -16.701 342 HA SER 41 HA SER 41 21.609 -6.633 -16.901 343 HB2 SER 41 HB2 SER 41 21.048 -7.953 -14.799 344 HB3 SER 41 HB3 SER 41 20.919 -9.374 -15.835 345 HG SER 41 HG SER 41 23.218 -7.799 -16.036 346 H ASP 42 H ASP 42 20.072 -6.910 -19.181 347 HA ASP 42 HA ASP 42 21.411 -9.164 -20.522 348 HB2 ASP 42 HB2 ASP 42 18.605 -8.673 -20.286 349 HB3 ASP 42 HB3 ASP 42 19.067 -8.473 -21.974 350 H LEU 43 H LEU 43 19.477 -6.347 -21.539 351 HA LEU 43 HA LEU 43 19.890 -4.670 -23.017 352 HB2 LEU 43 HB2 LEU 43 22.350 -5.091 -21.598 353 HB3 LEU 43 HB3 LEU 43 22.688 -4.622 -23.263 354 HG LEU 43 HG LEU 43 22.675 -2.690 -21.776 355 HD11 LEU 43 HD11 LEU 43 22.049 -2.238 -24.019 356 HD12 LEU 43 HD12 LEU 43 20.930 -1.350 -22.987 357 HD13 LEU 43 HD13 LEU 43 20.416 -2.851 -23.758 358 HD21 LEU 43 HD21 LEU 43 21.221 -3.325 -20.030 359 HD22 LEU 43 HD22 LEU 43 19.888 -3.629 -21.145 360 HD23 LEU 43 HD23 LEU 43 20.429 -1.977 -20.846 Start of MODEL 4 1 H1 MET 1 H MET 1 4.938 1.912 -3.757 2 HA MET 1 HA MET 1 4.464 1.400 -1.579 3 HB2 MET 1 HB2 MET 1 1.745 0.989 -2.780 4 HB3 MET 1 HB3 MET 1 2.066 0.489 -1.125 5 HG2 MET 1 HG2 MET 1 2.765 3.255 -1.983 6 HG3 MET 1 HG3 MET 1 1.087 2.846 -1.632 7 HE1 MET 1 HE1 MET 1 1.330 1.012 1.454 8 HE2 MET 1 HE2 MET 1 0.582 2.571 1.803 9 HE3 MET 1 HE3 MET 1 0.286 1.777 0.255 10 H ASN 2 H ASN 2 2.935 -0.946 -3.788 11 HA ASN 2 HA ASN 2 3.980 -3.133 -2.156 12 HB2 ASN 2 HB2 ASN 2 1.913 -2.948 -4.329 13 HB3 ASN 2 HB3 ASN 2 2.609 -4.505 -3.890 14 HD21 ASN 2 HD21 ASN 2 -0.035 -4.179 -3.608 15 HD22 ASN 2 HD22 ASN 2 -0.466 -4.065 -1.939 16 H LYS 3 H LYS 3 6.035 -1.859 -3.303 17 HA LYS 3 HA LYS 3 6.733 -2.817 -5.889 18 HB2 LYS 3 HB2 LYS 3 8.922 -1.885 -5.452 19 HB3 LYS 3 HB3 LYS 3 7.691 -0.766 -4.881 20 HG2 LYS 3 HG2 LYS 3 8.107 -2.105 -2.615 21 HG3 LYS 3 HG3 LYS 3 9.689 -2.329 -3.364 22 HD2 LYS 3 HD2 LYS 3 9.689 0.182 -3.758 23 HD3 LYS 3 HD3 LYS 3 8.304 0.249 -2.665 24 HE2 LYS 3 HE2 LYS 3 10.843 -1.123 -1.856 25 HE3 LYS 3 HE3 LYS 3 10.674 0.626 -1.707 26 HZ1 LYS 3 HZ1 LYS 3 9.652 0.272 0.210 27 HZ2 LYS 3 HZ2 LYS 3 9.666 -1.404 -0.018 28 HZ3 LYS 3 HZ3 LYS 3 8.382 -0.480 -0.619 29 H GLU 4 H GLU 4 7.240 -3.981 -2.623 30 HA GLU 4 HA GLU 4 9.142 -5.993 -3.358 31 HB2 GLU 4 HB2 GLU 4 7.560 -5.405 -0.873 32 HB3 GLU 4 HB3 GLU 4 8.489 -6.891 -1.018 33 HG2 GLU 4 HG2 GLU 4 10.455 -5.334 -1.619 34 HG3 GLU 4 HG3 GLU 4 9.458 -4.067 -0.906 35 H HIS 5 H HIS 5 5.659 -5.867 -2.881 36 HA HIS 5 HA HIS 5 5.306 -8.707 -3.152 37 HB2 HIS 5 HB2 HIS 5 3.784 -6.798 -2.027 38 HB3 HIS 5 HB3 HIS 5 3.014 -6.877 -3.609 39 HD1 HIS 5 HD1 HIS 5 4.018 -9.285 -0.838 40 HD2 HIS 5 HD2 HIS 5 1.120 -8.801 -3.776 41 HE1 HIS 5 HE1 HIS 5 2.394 -11.175 -0.499 42 H ILE 6 H ILE 6 4.608 -5.881 -5.198 43 HA ILE 6 HA ILE 6 3.546 -7.187 -7.395 44 HB ILE 6 HB ILE 6 3.712 -4.690 -7.046 45 HG12 ILE 6 HG12 ILE 6 4.514 -5.843 -9.726 46 HG13 ILE 6 HG13 ILE 6 2.872 -5.619 -9.131 47 HG21 ILE 6 HG21 ILE 6 6.302 -4.743 -8.507 48 HG22 ILE 6 HG22 ILE 6 5.632 -3.512 -7.438 49 HG23 ILE 6 HG23 ILE 6 6.314 -4.991 -6.761 50 HD11 ILE 6 HD11 ILE 6 4.210 -3.120 -9.011 51 HD12 ILE 6 HD12 ILE 6 4.469 -3.823 -10.608 52 HD13 ILE 6 HD13 ILE 6 2.830 -3.593 -10.002 53 H LEU 7 H LEU 7 6.889 -6.838 -6.411 54 HA LEU 7 HA LEU 7 8.246 -7.466 -8.722 55 HB2 LEU 7 HB2 LEU 7 8.834 -7.309 -5.985 56 HB3 LEU 7 HB3 LEU 7 9.393 -8.897 -6.506 57 HG LEU 7 HG LEU 7 10.658 -7.687 -8.347 58 HD11 LEU 7 HD11 LEU 7 9.238 -5.547 -7.807 59 HD12 LEU 7 HD12 LEU 7 10.914 -5.412 -8.337 60 HD13 LEU 7 HD13 LEU 7 10.516 -5.262 -6.626 61 HD21 LEU 7 HD21 LEU 7 11.259 -7.648 -5.438 62 HD22 LEU 7 HD22 LEU 7 12.334 -6.760 -6.519 63 HD23 LEU 7 HD23 LEU 7 12.078 -8.489 -6.755 64 H ALA 8 H ALA 8 6.488 -9.600 -6.560 65 HA ALA 8 HA ALA 8 7.415 -12.067 -7.491 66 HB1 ALA 8 HB1 ALA 8 4.750 -11.279 -6.332 67 HB2 ALA 8 HB2 ALA 8 5.221 -12.947 -6.659 68 HB3 ALA 8 HB3 ALA 8 6.128 -11.987 -5.490 69 H GLN 9 H GLN 9 4.909 -9.924 -8.731 70 HA GLN 9 HA GLN 9 3.727 -11.657 -10.577 71 HB2 GLN 9 HB2 GLN 9 4.108 -8.670 -10.848 72 HB3 GLN 9 HB3 GLN 9 2.930 -9.648 -11.712 73 HG2 GLN 9 HG2 GLN 9 3.003 -9.028 -8.774 74 HG3 GLN 9 HG3 GLN 9 1.792 -8.535 -9.957 75 HE21 GLN 9 HE21 GLN 9 1.887 -10.257 -7.405 76 HE22 GLN 9 HE22 GLN 9 0.970 -11.655 -7.842 77 H LYS 10 H LYS 10 6.546 -9.544 -10.879 78 HA LYS 10 HA LYS 10 6.982 -10.334 -13.633 79 HB2 LYS 10 HB2 LYS 10 8.881 -8.819 -13.567 80 HB3 LYS 10 HB3 LYS 10 7.459 -8.028 -12.901 81 HG2 LYS 10 HG2 LYS 10 8.301 -7.997 -10.772 82 HG3 LYS 10 HG3 LYS 10 9.335 -9.401 -11.043 83 HD2 LYS 10 HD2 LYS 10 11.036 -8.151 -11.841 84 HD3 LYS 10 HD3 LYS 10 9.958 -7.044 -12.692 85 HE2 LYS 10 HE2 LYS 10 9.442 -6.536 -10.027 86 HE3 LYS 10 HE3 LYS 10 11.183 -6.810 -10.064 87 HZ1 LYS 10 HZ1 LYS 10 10.572 -5.194 -12.236 88 HZ2 LYS 10 HZ2 LYS 10 11.413 -4.762 -10.833 89 HZ3 LYS 10 HZ3 LYS 10 9.737 -4.545 -10.915 90 H GLU 11 H GLU 11 7.844 -11.445 -10.535 91 HA GLU 11 HA GLU 11 10.270 -12.776 -11.439 92 HB2 GLU 11 HB2 GLU 11 8.952 -12.309 -8.812 93 HB3 GLU 11 HB3 GLU 11 9.970 -13.734 -8.966 94 HG2 GLU 11 HG2 GLU 11 11.289 -11.423 -10.057 95 HG3 GLU 11 HG3 GLU 11 10.771 -11.126 -8.399 96 H VAL 12 H VAL 12 7.156 -13.366 -11.929 97 HA VAL 12 HA VAL 12 7.512 -16.287 -11.774 98 HB VAL 12 HB VAL 12 5.138 -16.566 -11.336 99 HG11 VAL 12 HG11 VAL 12 6.945 -15.167 -9.523 100 HG12 VAL 12 HG12 VAL 12 5.241 -14.972 -9.106 101 HG13 VAL 12 HG13 VAL 12 5.936 -16.587 -9.247 102 HG21 VAL 12 HG21 VAL 12 4.964 -13.908 -12.252 103 HG22 VAL 12 HG22 VAL 12 3.648 -14.970 -11.752 104 HG23 VAL 12 HG23 VAL 12 4.417 -13.905 -10.575 105 H LEU 13 H LEU 13 7.890 -14.214 -13.933 106 HA LEU 13 HA LEU 13 6.306 -15.606 -15.968 107 HB2 LEU 13 HB2 LEU 13 6.143 -13.313 -17.129 108 HB3 LEU 13 HB3 LEU 13 5.023 -13.693 -15.822 109 HG LEU 13 HG LEU 13 6.574 -12.395 -14.296 110 HD11 LEU 13 HD11 LEU 13 7.803 -11.780 -16.958 111 HD12 LEU 13 HD12 LEU 13 8.589 -12.244 -15.449 112 HD13 LEU 13 HD13 LEU 13 7.893 -10.633 -15.621 113 HD21 LEU 13 HD21 LEU 13 5.752 -10.176 -15.202 114 HD22 LEU 13 HD22 LEU 13 4.520 -11.399 -14.890 115 HD23 LEU 13 HD23 LEU 13 5.058 -11.090 -16.542 116 H THR 14 H THR 14 7.167 -15.241 -18.182 117 HA THR 14 HA THR 14 9.832 -15.913 -18.400 118 HB THR 14 HB THR 14 9.419 -14.684 -20.800 119 HG1 THR 14 HG1 THR 14 7.300 -14.591 -21.245 120 HG21 THR 14 HG21 THR 14 8.060 -17.297 -20.372 121 HG22 THR 14 HG22 THR 14 9.782 -17.187 -20.006 122 HG23 THR 14 HG23 THR 14 9.199 -16.808 -21.627 123 HA PRO 15 HA PRO 15 12.261 -12.277 -18.031 124 HB2 PRO 15 HB2 PRO 15 14.116 -12.606 -19.985 125 HB3 PRO 15 HB3 PRO 15 14.101 -13.569 -18.503 126 HG2 PRO 15 HG2 PRO 15 13.074 -14.268 -21.227 127 HG3 PRO 15 HG3 PRO 15 14.000 -15.266 -20.090 128 HD2 PRO 15 HD2 PRO 15 11.318 -15.499 -20.383 129 HD3 PRO 15 HD3 PRO 15 12.139 -15.786 -18.834 130 H ILE 16 H ILE 16 10.968 -13.004 -21.212 131 HA ILE 16 HA ILE 16 11.523 -10.424 -22.324 132 HB ILE 16 HB ILE 16 9.949 -12.803 -23.208 133 HG12 ILE 16 HG12 ILE 16 11.857 -11.215 -24.878 134 HG13 ILE 16 HG13 ILE 16 12.495 -12.222 -23.583 135 HG21 ILE 16 HG21 ILE 16 8.409 -11.113 -23.790 136 HG22 ILE 16 HG22 ILE 16 9.690 -10.020 -24.314 137 HG23 ILE 16 HG23 ILE 16 9.317 -11.460 -25.262 138 HD11 ILE 16 HD11 ILE 16 11.216 -14.134 -24.614 139 HD12 ILE 16 HD12 ILE 16 10.941 -13.079 -26.001 140 HD13 ILE 16 HD13 ILE 16 12.585 -13.519 -25.540 141 H GLU 17 H GLU 17 8.843 -11.900 -20.621 142 HA GLU 17 HA GLU 17 6.990 -9.784 -21.191 143 HB2 GLU 17 HB2 GLU 17 6.983 -12.190 -19.408 144 HB3 GLU 17 HB3 GLU 17 5.768 -10.940 -19.182 145 HG2 GLU 17 HG2 GLU 17 5.472 -11.262 -21.788 146 HG3 GLU 17 HG3 GLU 17 6.134 -12.854 -21.416 147 H TYR 18 H TYR 18 9.095 -10.659 -18.494 148 HA TYR 18 HA TYR 18 8.208 -8.808 -16.614 149 HB2 TYR 18 HB2 TYR 18 9.758 -9.936 -15.463 150 HB3 TYR 18 HB3 TYR 18 10.475 -10.550 -16.949 151 HD1 TYR 18 HD1 TYR 18 10.492 -7.649 -14.630 152 HD2 TYR 18 HD2 TYR 18 12.563 -9.766 -17.685 153 HE1 TYR 18 HE1 TYR 18 12.483 -6.259 -14.235 154 HE2 TYR 18 HE2 TYR 18 14.560 -8.383 -17.298 155 HH TYR 18 HH TYR 18 14.864 -5.844 -16.252 156 H GLU 19 H GLU 19 10.386 -8.422 -19.340 157 HA GLU 19 HA GLU 19 11.450 -5.911 -18.687 158 HB2 GLU 19 HB2 GLU 19 11.024 -7.362 -21.282 159 HB3 GLU 19 HB3 GLU 19 11.654 -5.721 -21.267 160 HG2 GLU 19 HG2 GLU 19 13.671 -6.359 -20.524 161 HG3 GLU 19 HG3 GLU 19 13.005 -7.586 -19.448 162 H HIS 20 H HIS 20 8.492 -6.823 -20.384 163 HA HIS 20 HA HIS 20 7.774 -4.051 -20.850 164 HB2 HIS 20 HB2 HIS 20 6.793 -6.689 -21.736 165 HB3 HIS 20 HB3 HIS 20 5.548 -5.462 -21.523 166 HD1 HIS 20 HD1 HIS 20 5.870 -3.238 -22.975 167 HD2 HIS 20 HD2 HIS 20 8.264 -6.464 -24.032 168 HE1 HIS 20 HE1 HIS 20 6.730 -2.710 -25.279 169 H TYR 21 H TYR 21 7.278 -6.460 -18.467 170 HA TYR 21 HA TYR 21 4.792 -5.831 -17.424 171 HB2 TYR 21 HB2 TYR 21 5.556 -7.596 -16.243 172 HB3 TYR 21 HB3 TYR 21 7.238 -7.117 -16.437 173 HD1 TYR 21 HD1 TYR 21 4.266 -6.878 -14.321 174 HD2 TYR 21 HD2 TYR 21 8.314 -5.661 -14.805 175 HE1 TYR 21 HE1 TYR 21 4.320 -6.146 -11.974 176 HE2 TYR 21 HE2 TYR 21 8.380 -4.927 -12.459 177 HH TYR 21 HH TYR 21 6.930 -4.292 -10.687 178 H VAL 22 H VAL 22 7.849 -4.155 -17.086 179 HA VAL 22 HA VAL 22 6.860 -2.353 -15.055 180 HB VAL 22 HB VAL 22 9.414 -2.281 -16.669 181 HG11 VAL 22 HG11 VAL 22 8.903 -0.056 -15.949 182 HG12 VAL 22 HG12 VAL 22 8.509 -0.619 -14.323 183 HG13 VAL 22 HG13 VAL 22 10.173 -0.692 -14.903 184 HG21 VAL 22 HG21 VAL 22 8.719 -3.360 -13.954 185 HG22 VAL 22 HG22 VAL 22 9.515 -4.182 -15.296 186 HG23 VAL 22 HG23 VAL 22 10.374 -2.935 -14.393 187 H LYS 23 H LYS 23 6.863 -2.515 -18.474 188 HA LYS 23 HA LYS 23 6.926 0.162 -19.222 189 HB2 LYS 23 HB2 LYS 23 6.924 -1.792 -20.777 190 HB3 LYS 23 HB3 LYS 23 5.207 -1.998 -20.455 191 HG2 LYS 23 HG2 LYS 23 5.630 -0.823 -22.561 192 HG3 LYS 23 HG3 LYS 23 4.732 0.171 -21.411 193 HD2 LYS 23 HD2 LYS 23 6.313 1.738 -21.442 194 HD3 LYS 23 HD3 LYS 23 7.566 0.550 -21.073 195 HE2 LYS 23 HE2 LYS 23 8.235 0.426 -23.210 196 HE3 LYS 23 HE3 LYS 23 6.583 0.419 -23.824 197 HZ1 LYS 23 HZ1 LYS 23 8.149 2.801 -22.993 198 HZ2 LYS 23 HZ2 LYS 23 6.522 2.837 -23.455 199 HZ3 LYS 23 HZ3 LYS 23 7.707 2.383 -24.573 200 H HIS 24 H HIS 24 4.234 -1.797 -18.042 201 HA HIS 24 HA HIS 24 2.274 0.252 -18.399 202 HB2 HIS 24 HB2 HIS 24 1.184 -1.747 -18.319 203 HB3 HIS 24 HB3 HIS 24 2.358 -2.464 -17.219 204 HD1 HIS 24 HD1 HIS 24 -0.132 0.403 -16.850 205 HD2 HIS 24 HD2 HIS 24 1.095 -3.065 -14.919 206 HE1 HIS 24 HE1 HIS 24 -1.521 0.271 -14.758 207 H LEU 25 H LEU 25 4.312 -0.821 -15.738 208 HA LEU 25 HA LEU 25 3.154 0.480 -13.603 209 HB2 LEU 25 HB2 LEU 25 5.938 -0.279 -14.308 210 HB3 LEU 25 HB3 LEU 25 5.701 0.804 -12.938 211 HG LEU 25 HG LEU 25 4.764 -0.825 -11.635 212 HD11 LEU 25 HD11 LEU 25 3.672 -2.862 -12.548 213 HD12 LEU 25 HD12 LEU 25 3.917 -2.215 -14.170 214 HD13 LEU 25 HD13 LEU 25 2.887 -1.357 -13.024 215 HD21 LEU 25 HD21 LEU 25 6.299 -2.482 -11.571 216 HD22 LEU 25 HD22 LEU 25 7.093 -1.486 -12.791 217 HD23 LEU 25 HD23 LEU 25 6.115 -2.870 -13.281 218 H PHE 26 H PHE 26 5.398 1.792 -16.011 219 HA PHE 26 HA PHE 26 5.916 4.274 -14.974 220 HB2 PHE 26 HB2 PHE 26 5.356 3.589 -17.867 221 HB3 PHE 26 HB3 PHE 26 6.150 5.059 -17.312 222 HD1 PHE 26 HD1 PHE 26 6.773 2.050 -18.779 223 HD2 PHE 26 HD2 PHE 26 8.138 4.420 -15.517 224 HE1 PHE 26 HE1 PHE 26 8.946 0.899 -18.856 225 HE2 PHE 26 HE2 PHE 26 10.313 3.272 -15.590 226 HZ PHE 26 HZ PHE 26 10.720 1.510 -17.261 227 H ASP 27 H ASP 27 2.950 3.109 -16.390 228 HA ASP 27 HA ASP 27 1.609 5.420 -17.019 229 HB2 ASP 27 HB2 ASP 27 0.746 3.088 -17.308 230 HB3 ASP 27 HB3 ASP 27 0.377 3.060 -15.586 231 H ILE 28 H ILE 28 1.739 3.855 -13.824 232 HA ILE 28 HA ILE 28 0.609 6.281 -12.628 233 HB ILE 28 HB ILE 28 0.123 5.013 -10.686 234 HG12 ILE 28 HG12 ILE 28 1.866 2.853 -11.886 235 HG13 ILE 28 HG13 ILE 28 2.202 3.797 -10.439 236 HG21 ILE 28 HG21 ILE 28 -0.443 2.900 -12.689 237 HG22 ILE 28 HG22 ILE 28 -1.513 3.665 -11.516 238 HG23 ILE 28 HG23 ILE 28 -1.077 4.516 -12.998 239 HD11 ILE 28 HD11 ILE 28 -0.089 1.872 -10.746 240 HD12 ILE 28 HD12 ILE 28 1.441 1.518 -9.943 241 HD13 ILE 28 HD13 ILE 28 0.365 2.749 -9.285 242 H GLY 29 H GLY 29 3.522 4.376 -12.784 243 HA2 GLY 29 HA2 GLY 29 5.652 5.385 -12.373 244 HA3 GLY 29 HA3 GLY 29 4.884 6.448 -11.204 245 H GLU 30 H GLU 30 4.120 3.066 -11.211 246 HA GLU 30 HA GLU 30 4.701 2.681 -8.521 247 HB2 GLU 30 HB2 GLU 30 3.686 1.130 -10.641 248 HB3 GLU 30 HB3 GLU 30 5.036 0.219 -9.980 249 HG2 GLU 30 HG2 GLU 30 2.891 1.356 -8.224 250 HG3 GLU 30 HG3 GLU 30 2.720 -0.212 -9.012 251 H ILE 31 H ILE 31 6.537 1.198 -11.195 252 HA ILE 31 HA ILE 31 8.938 1.348 -9.496 253 HB ILE 31 HB ILE 31 8.539 -0.510 -11.836 254 HG12 ILE 31 HG12 ILE 31 6.850 -0.987 -10.114 255 HG13 ILE 31 HG13 ILE 31 8.050 -2.271 -10.201 256 HG21 ILE 31 HG21 ILE 31 10.482 -0.623 -9.534 257 HG22 ILE 31 HG22 ILE 31 10.426 -1.701 -10.928 258 HG23 ILE 31 HG23 ILE 31 10.860 -0.005 -11.142 259 HD11 ILE 31 HD11 ILE 31 7.215 -0.865 -7.942 260 HD12 ILE 31 HD12 ILE 31 8.542 -2.021 -8.062 261 HD13 ILE 31 HD13 ILE 31 8.850 -0.298 -8.281 262 H THR 32 H THR 32 10.837 2.157 -10.314 263 HA THR 32 HA THR 32 10.568 3.809 -12.701 264 HB THR 32 HB THR 32 12.590 4.920 -12.005 265 HG1 THR 32 HG1 THR 32 13.480 4.083 -9.872 266 HG21 THR 32 HG21 THR 32 11.136 4.473 -9.421 267 HG22 THR 32 HG22 THR 32 10.340 5.284 -10.770 268 HG23 THR 32 HG23 THR 32 11.811 5.964 -10.076 269 H LYS 33 H LYS 33 12.385 3.919 -14.243 270 HA LYS 33 HA LYS 33 12.899 1.507 -15.480 271 HB2 LYS 33 HB2 LYS 33 14.305 4.163 -15.596 272 HB3 LYS 33 HB3 LYS 33 14.864 2.797 -16.554 273 HG2 LYS 33 HG2 LYS 33 13.488 3.725 -18.084 274 HG3 LYS 33 HG3 LYS 33 12.288 2.745 -17.236 275 HD2 LYS 33 HD2 LYS 33 11.467 5.013 -17.573 276 HD3 LYS 33 HD3 LYS 33 11.694 4.682 -15.854 277 HE2 LYS 33 HE2 LYS 33 13.152 6.352 -15.657 278 HE3 LYS 33 HE3 LYS 33 14.100 5.759 -17.020 279 HZ1 LYS 33 HZ1 LYS 33 13.435 7.706 -17.908 280 HZ2 LYS 33 HZ2 LYS 33 12.051 7.822 -16.942 281 HZ3 LYS 33 HZ3 LYS 33 12.048 6.824 -18.308 282 H GLU 34 H GLU 34 14.636 3.065 -12.887 283 HA GLU 34 HA GLU 34 17.101 1.882 -12.956 284 HB2 GLU 34 HB2 GLU 34 15.391 2.298 -10.497 285 HB3 GLU 34 HB3 GLU 34 17.133 2.062 -10.503 286 HG2 GLU 34 HG2 GLU 34 16.019 4.287 -12.119 287 HG3 GLU 34 HG3 GLU 34 16.051 4.460 -10.365 288 H LEU 35 H LEU 35 14.133 0.496 -11.579 289 HA LEU 35 HA LEU 35 15.365 -1.969 -10.849 290 HB2 LEU 35 HB2 LEU 35 12.913 -0.704 -10.397 291 HB3 LEU 35 HB3 LEU 35 12.520 -2.184 -11.270 292 HG LEU 35 HG LEU 35 13.836 -3.435 -9.524 293 HD11 LEU 35 HD11 LEU 35 15.212 -1.836 -8.532 294 HD12 LEU 35 HD12 LEU 35 13.968 -2.135 -7.319 295 HD13 LEU 35 HD13 LEU 35 13.890 -0.688 -8.324 296 HD21 LEU 35 HD21 LEU 35 11.276 -2.971 -9.617 297 HD22 LEU 35 HD22 LEU 35 11.598 -1.946 -8.219 298 HD23 LEU 35 HD23 LEU 35 11.989 -3.666 -8.161 299 H TYR 36 H TYR 36 13.273 -0.968 -13.539 300 HA TYR 36 HA TYR 36 12.945 -3.392 -14.813 301 HB2 TYR 36 HB2 TYR 36 11.708 -1.636 -15.719 302 HB3 TYR 36 HB3 TYR 36 13.104 -0.569 -15.816 303 HD1 TYR 36 HD1 TYR 36 13.468 0.019 -18.018 304 HD2 TYR 36 HD2 TYR 36 12.457 -4.015 -17.116 305 HE1 TYR 36 HE1 TYR 36 13.764 -0.578 -20.385 306 HE2 TYR 36 HE2 TYR 36 12.751 -4.623 -19.481 307 HH TYR 36 HH TYR 36 12.606 -2.865 -21.864 308 H ILE 37 H ILE 37 15.677 -1.164 -14.973 309 HA ILE 37 HA ILE 37 17.078 -2.812 -16.899 310 HB ILE 37 HB ILE 37 17.844 -0.293 -15.433 311 HG12 ILE 37 HG12 ILE 37 18.027 -0.129 -18.274 312 HG13 ILE 37 HG13 ILE 37 16.477 -0.860 -17.871 313 HG21 ILE 37 HG21 ILE 37 19.872 -1.523 -15.631 314 HG22 ILE 37 HG22 ILE 37 19.499 -1.986 -17.291 315 HG23 ILE 37 HG23 ILE 37 19.872 -0.306 -16.907 316 HD11 ILE 37 HD11 ILE 37 15.685 1.029 -16.902 317 HD12 ILE 37 HD12 ILE 37 17.280 1.561 -16.369 318 HD13 ILE 37 HD13 ILE 37 16.804 1.754 -18.056 319 H GLU 38 H GLU 38 17.384 -1.954 -13.472 320 HA GLU 38 HA GLU 38 19.754 -3.222 -12.856 321 HB2 GLU 38 HB2 GLU 38 18.580 -1.847 -11.240 322 HB3 GLU 38 HB3 GLU 38 17.248 -2.993 -11.183 323 HG2 GLU 38 HG2 GLU 38 18.412 -4.501 -9.915 324 HG3 GLU 38 HG3 GLU 38 19.981 -3.940 -10.490 325 H LEU 39 H LEU 39 16.491 -4.638 -12.561 326 HA LEU 39 HA LEU 39 17.237 -7.207 -11.859 327 HB2 LEU 39 HB2 LEU 39 14.882 -6.044 -13.264 328 HB3 LEU 39 HB3 LEU 39 15.057 -7.797 -13.212 329 HG LEU 39 HG LEU 39 13.575 -6.828 -11.447 330 HD11 LEU 39 HD11 LEU 39 15.982 -8.484 -10.818 331 HD12 LEU 39 HD12 LEU 39 14.293 -8.969 -10.959 332 HD13 LEU 39 HD13 LEU 39 14.833 -8.061 -9.548 333 HD21 LEU 39 HD21 LEU 39 14.791 -4.787 -10.984 334 HD22 LEU 39 HD22 LEU 39 16.184 -5.713 -10.422 335 HD23 LEU 39 HD23 LEU 39 14.670 -5.759 -9.517 336 H SER 40 H SER 40 17.138 -5.699 -15.027 337 HA SER 40 HA SER 40 17.603 -8.141 -16.463 338 HB2 SER 40 HB2 SER 40 17.202 -5.304 -17.122 339 HB3 SER 40 HB3 SER 40 18.317 -6.142 -18.201 340 HG SER 40 HG SER 40 16.635 -7.007 -19.088 341 H SER 41 H SER 41 19.462 -8.995 -15.454 342 HA SER 41 HA SER 41 21.956 -7.532 -16.017 343 HB2 SER 41 HB2 SER 41 21.335 -8.125 -13.587 344 HB3 SER 41 HB3 SER 41 21.716 -9.788 -14.035 345 HG SER 41 HG SER 41 23.792 -9.284 -14.229 346 H ASP 42 H ASP 42 20.660 -9.020 -18.022 347 HA ASP 42 HA ASP 42 21.874 -11.619 -18.225 348 HB2 ASP 42 HB2 ASP 42 19.639 -10.724 -19.278 349 HB3 ASP 42 HB3 ASP 42 20.699 -10.183 -20.577 350 H LEU 43 H LEU 43 22.128 -8.734 -20.313 351 HA LEU 43 HA LEU 43 24.904 -9.529 -20.896 352 HB2 LEU 43 HB2 LEU 43 24.625 -8.205 -22.989 353 HB3 LEU 43 HB3 LEU 43 23.613 -9.643 -22.884 354 HG LEU 43 HG LEU 43 22.292 -7.205 -21.952 355 HD11 LEU 43 HD11 LEU 43 23.714 -7.200 -24.501 356 HD12 LEU 43 HD12 LEU 43 23.004 -5.866 -23.593 357 HD13 LEU 43 HD13 LEU 43 21.991 -6.852 -24.648 358 HD21 LEU 43 HD21 LEU 43 21.202 -8.721 -24.204 359 HD22 LEU 43 HD22 LEU 43 20.472 -8.307 -22.653 360 HD23 LEU 43 HD23 LEU 43 21.550 -9.698 -22.777 Start of MODEL 5 1 H1 MET 1 H MET 1 1.367 -1.686 -6.521 2 HA MET 1 HA MET 1 0.130 -3.633 -4.802 3 HB2 MET 1 HB2 MET 1 1.789 -4.599 -7.138 4 HB3 MET 1 HB3 MET 1 1.140 -5.601 -5.848 5 HG2 MET 1 HG2 MET 1 -0.767 -3.961 -7.415 6 HG3 MET 1 HG3 MET 1 -0.050 -5.370 -8.195 7 HE1 MET 1 HE1 MET 1 -3.543 -4.998 -5.719 8 HE2 MET 1 HE2 MET 1 -2.284 -4.799 -4.501 9 HE3 MET 1 HE3 MET 1 -2.279 -3.790 -5.948 10 H ASN 2 H ASN 2 1.886 -1.426 -4.425 11 HA ASN 2 HA ASN 2 3.737 -0.865 -3.229 12 HB2 ASN 2 HB2 ASN 2 2.858 -3.143 -2.064 13 HB3 ASN 2 HB3 ASN 2 4.468 -3.656 -2.562 14 HD21 ASN 2 HD21 ASN 2 2.665 -2.043 -0.242 15 HD22 ASN 2 HD22 ASN 2 3.966 -1.335 0.648 16 H LYS 3 H LYS 3 6.195 -1.955 -2.869 17 HA LYS 3 HA LYS 3 7.174 -2.226 -5.631 18 HB2 LYS 3 HB2 LYS 3 9.324 -1.365 -4.756 19 HB3 LYS 3 HB3 LYS 3 7.999 -0.231 -4.534 20 HG2 LYS 3 HG2 LYS 3 7.797 -0.990 -2.189 21 HG3 LYS 3 HG3 LYS 3 9.211 -2.017 -2.436 22 HD2 LYS 3 HD2 LYS 3 10.648 -0.275 -2.369 23 HD3 LYS 3 HD3 LYS 3 9.537 0.807 -3.213 24 HE2 LYS 3 HE2 LYS 3 8.228 1.041 -1.145 25 HE3 LYS 3 HE3 LYS 3 9.376 -0.005 -0.311 26 HZ1 LYS 3 HZ1 LYS 3 10.975 1.602 -0.298 27 HZ2 LYS 3 HZ2 LYS 3 9.599 2.582 -0.209 28 HZ3 LYS 3 HZ3 LYS 3 10.395 2.375 -1.687 29 H GLU 4 H GLU 4 7.385 -3.549 -2.381 30 HA GLU 4 HA GLU 4 9.335 -5.542 -3.131 31 HB2 GLU 4 HB2 GLU 4 7.800 -4.934 -0.622 32 HB3 GLU 4 HB3 GLU 4 8.691 -6.441 -0.784 33 HG2 GLU 4 HG2 GLU 4 10.729 -5.082 -1.285 34 HG3 GLU 4 HG3 GLU 4 9.795 -3.647 -0.868 35 H HIS 5 H HIS 5 5.861 -5.380 -2.581 36 HA HIS 5 HA HIS 5 5.447 -8.203 -2.833 37 HB2 HIS 5 HB2 HIS 5 3.955 -6.244 -1.766 38 HB3 HIS 5 HB3 HIS 5 3.207 -6.323 -3.358 39 HD1 HIS 5 HD1 HIS 5 4.415 -9.154 -1.122 40 HD2 HIS 5 HD2 HIS 5 0.952 -7.761 -2.945 41 HE1 HIS 5 HE1 HIS 5 2.657 -10.885 -0.636 42 H ILE 6 H ILE 6 5.037 -5.407 -4.972 43 HA ILE 6 HA ILE 6 3.887 -6.697 -7.151 44 HB ILE 6 HB ILE 6 4.230 -4.206 -6.861 45 HG12 ILE 6 HG12 ILE 6 4.994 -5.465 -9.504 46 HG13 ILE 6 HG13 ILE 6 3.356 -5.162 -8.934 47 HG21 ILE 6 HG21 ILE 6 6.821 -4.485 -8.290 48 HG22 ILE 6 HG22 ILE 6 6.237 -3.186 -7.251 49 HG23 ILE 6 HG23 ILE 6 6.803 -4.698 -6.540 50 HD11 ILE 6 HD11 ILE 6 4.840 -2.729 -8.855 51 HD12 ILE 6 HD12 ILE 6 5.009 -3.472 -10.446 52 HD13 ILE 6 HD13 ILE 6 3.405 -3.132 -9.796 53 H LEU 7 H LEU 7 7.217 -6.581 -6.087 54 HA LEU 7 HA LEU 7 8.575 -7.363 -8.356 55 HB2 LEU 7 HB2 LEU 7 9.117 -7.166 -5.611 56 HB3 LEU 7 HB3 LEU 7 9.577 -8.802 -6.078 57 HG LEU 7 HG LEU 7 11.067 -7.884 -7.797 58 HD11 LEU 7 HD11 LEU 7 9.596 -5.488 -7.259 59 HD12 LEU 7 HD12 LEU 7 10.755 -5.822 -8.546 60 HD13 LEU 7 HD13 LEU 7 11.317 -5.205 -6.992 61 HD21 LEU 7 HD21 LEU 7 11.372 -7.137 -4.927 62 HD22 LEU 7 HD22 LEU 7 12.581 -6.597 -6.092 63 HD23 LEU 7 HD23 LEU 7 12.263 -8.319 -5.885 64 H ALA 8 H ALA 8 6.600 -9.287 -6.192 65 HA ALA 8 HA ALA 8 7.380 -11.844 -7.053 66 HB1 ALA 8 HB1 ALA 8 5.893 -11.119 -5.055 67 HB2 ALA 8 HB2 ALA 8 4.570 -11.261 -6.213 68 HB3 ALA 8 HB3 ALA 8 5.580 -12.661 -5.853 69 H GLN 9 H GLN 9 5.107 -9.519 -8.373 70 HA GLN 9 HA GLN 9 3.745 -11.204 -10.151 71 HB2 GLN 9 HB2 GLN 9 4.388 -8.267 -10.466 72 HB3 GLN 9 HB3 GLN 9 3.165 -9.150 -11.369 73 HG2 GLN 9 HG2 GLN 9 3.183 -8.493 -8.440 74 HG3 GLN 9 HG3 GLN 9 2.045 -7.949 -9.672 75 HE21 GLN 9 HE21 GLN 9 2.809 -10.353 -7.391 76 HE22 GLN 9 HE22 GLN 9 1.482 -11.411 -7.710 77 H LYS 10 H LYS 10 6.482 -9.014 -10.814 78 HA LYS 10 HA LYS 10 6.907 -9.981 -13.444 79 HB2 LYS 10 HB2 LYS 10 8.805 -8.585 -13.501 80 HB3 LYS 10 HB3 LYS 10 7.658 -7.751 -12.461 81 HG2 LYS 10 HG2 LYS 10 9.259 -7.609 -10.940 82 HG3 LYS 10 HG3 LYS 10 9.152 -9.360 -10.745 83 HD2 LYS 10 HD2 LYS 10 10.707 -9.293 -12.906 84 HD3 LYS 10 HD3 LYS 10 11.138 -7.723 -12.223 85 HE2 LYS 10 HE2 LYS 10 11.813 -8.741 -10.159 86 HE3 LYS 10 HE3 LYS 10 11.201 -10.310 -10.678 87 HZ1 LYS 10 HZ1 LYS 10 12.971 -10.655 -12.041 88 HZ2 LYS 10 HZ2 LYS 10 13.730 -9.696 -10.874 89 HZ3 LYS 10 HZ3 LYS 10 13.231 -9.010 -12.337 90 H GLU 11 H GLU 11 7.583 -11.323 -10.427 91 HA GLU 11 HA GLU 11 9.902 -12.836 -11.319 92 HB2 GLU 11 HB2 GLU 11 8.665 -12.188 -8.759 93 HB3 GLU 11 HB3 GLU 11 9.114 -13.883 -8.876 94 HG2 GLU 11 HG2 GLU 11 11.365 -12.799 -9.800 95 HG3 GLU 11 HG3 GLU 11 10.814 -11.469 -8.784 96 H VAL 12 H VAL 12 6.476 -13.212 -10.943 97 HA VAL 12 HA VAL 12 6.602 -16.108 -11.235 98 HB VAL 12 HB VAL 12 4.151 -16.040 -11.055 99 HG11 VAL 12 HG11 VAL 12 4.337 -14.570 -8.740 100 HG12 VAL 12 HG12 VAL 12 4.743 -16.279 -8.913 101 HG13 VAL 12 HG13 VAL 12 6.006 -15.054 -9.036 102 HG21 VAL 12 HG21 VAL 12 4.200 -13.609 -12.095 103 HG22 VAL 12 HG22 VAL 12 2.890 -14.135 -11.038 104 HG23 VAL 12 HG23 VAL 12 4.198 -13.143 -10.394 105 H LEU 13 H LEU 13 7.290 -13.974 -13.357 106 HA LEU 13 HA LEU 13 5.848 -15.319 -15.525 107 HB2 LEU 13 HB2 LEU 13 5.726 -13.079 -16.695 108 HB3 LEU 13 HB3 LEU 13 4.607 -13.339 -15.359 109 HG LEU 13 HG LEU 13 6.452 -12.088 -13.975 110 HD11 LEU 13 HD11 LEU 13 7.083 -11.384 -16.818 111 HD12 LEU 13 HD12 LEU 13 8.182 -11.820 -15.509 112 HD13 LEU 13 HD13 LEU 13 7.384 -10.248 -15.503 113 HD21 LEU 13 HD21 LEU 13 5.351 -9.908 -14.675 114 HD22 LEU 13 HD22 LEU 13 4.281 -11.192 -14.112 115 HD23 LEU 13 HD23 LEU 13 4.436 -10.867 -15.839 116 H THR 14 H THR 14 6.942 -15.307 -17.547 117 HA THR 14 HA THR 14 9.647 -15.804 -17.477 118 HB THR 14 HB THR 14 9.393 -14.966 -20.045 119 HG1 THR 14 HG1 THR 14 6.807 -15.938 -19.526 120 HG21 THR 14 HG21 THR 14 8.101 -17.451 -20.009 121 HG22 THR 14 HG22 THR 14 9.150 -17.442 -18.591 122 HG23 THR 14 HG23 THR 14 9.828 -17.148 -20.192 123 HA PRO 15 HA PRO 15 11.834 -12.000 -17.451 124 HB2 PRO 15 HB2 PRO 15 13.837 -12.448 -19.227 125 HB3 PRO 15 HB3 PRO 15 13.775 -13.215 -17.636 126 HG2 PRO 15 HG2 PRO 15 12.983 -14.320 -20.303 127 HG3 PRO 15 HG3 PRO 15 13.884 -15.102 -18.991 128 HD2 PRO 15 HD2 PRO 15 11.248 -15.548 -19.415 129 HD3 PRO 15 HD3 PRO 15 11.973 -15.582 -17.795 130 H ILE 16 H ILE 16 10.830 -13.211 -20.592 131 HA ILE 16 HA ILE 16 11.326 -10.795 -22.022 132 HB ILE 16 HB ILE 16 9.850 -13.322 -22.610 133 HG12 ILE 16 HG12 ILE 16 12.296 -13.089 -23.000 134 HG13 ILE 16 HG13 ILE 16 11.395 -13.430 -24.474 135 HG21 ILE 16 HG21 ILE 16 8.280 -11.787 -23.472 136 HG22 ILE 16 HG22 ILE 16 9.544 -10.734 -24.106 137 HG23 ILE 16 HG23 ILE 16 9.249 -12.305 -24.852 138 HD11 ILE 16 HD11 ILE 16 11.661 -10.593 -24.053 139 HD12 ILE 16 HD12 ILE 16 13.231 -11.396 -24.066 140 HD13 ILE 16 HD13 ILE 16 12.136 -11.580 -25.435 141 H GLU 17 H GLU 17 8.559 -12.137 -20.315 142 HA GLU 17 HA GLU 17 6.728 -10.122 -21.213 143 HB2 GLU 17 HB2 GLU 17 6.646 -12.386 -19.281 144 HB3 GLU 17 HB3 GLU 17 5.463 -11.101 -19.082 145 HG2 GLU 17 HG2 GLU 17 5.260 -11.574 -21.738 146 HG3 GLU 17 HG3 GLU 17 5.668 -13.180 -21.138 147 H TYR 18 H TYR 18 8.742 -10.627 -18.371 148 HA TYR 18 HA TYR 18 7.716 -8.675 -16.687 149 HB2 TYR 18 HB2 TYR 18 9.305 -9.710 -15.480 150 HB3 TYR 18 HB3 TYR 18 10.204 -10.181 -16.918 151 HD1 TYR 18 HD1 TYR 18 9.546 -7.219 -14.747 152 HD2 TYR 18 HD2 TYR 18 12.271 -9.211 -17.337 153 HE1 TYR 18 HE1 TYR 18 11.270 -5.550 -14.207 154 HE2 TYR 18 HE2 TYR 18 14.003 -7.548 -16.803 155 HH TYR 18 HH TYR 18 13.852 -4.949 -15.934 156 H GLU 19 H GLU 19 9.974 -8.377 -19.374 157 HA GLU 19 HA GLU 19 10.915 -5.813 -19.009 158 HB2 GLU 19 HB2 GLU 19 10.987 -7.698 -21.051 159 HB3 GLU 19 HB3 GLU 19 10.216 -6.302 -21.790 160 HG2 GLU 19 HG2 GLU 19 12.083 -5.021 -21.659 161 HG3 GLU 19 HG3 GLU 19 12.663 -5.817 -20.198 162 H HIS 20 H HIS 20 7.787 -6.862 -20.202 163 HA HIS 20 HA HIS 20 6.976 -4.155 -20.863 164 HB2 HIS 20 HB2 HIS 20 5.536 -6.808 -20.969 165 HB3 HIS 20 HB3 HIS 20 4.769 -5.277 -21.379 166 HD1 HIS 20 HD1 HIS 20 5.078 -4.452 -23.717 167 HD2 HIS 20 HD2 HIS 20 7.737 -7.493 -22.747 168 HE1 HIS 20 HE1 HIS 20 6.252 -5.029 -25.865 169 H TYR 21 H TYR 21 6.649 -6.434 -18.260 170 HA TYR 21 HA TYR 21 4.403 -5.478 -16.947 171 HB2 TYR 21 HB2 TYR 21 5.092 -7.298 -15.804 172 HB3 TYR 21 HB3 TYR 21 6.782 -7.035 -16.218 173 HD1 TYR 21 HD1 TYR 21 4.173 -6.480 -13.741 174 HD2 TYR 21 HD2 TYR 21 8.193 -5.586 -14.812 175 HE1 TYR 21 HE1 TYR 21 4.607 -5.707 -11.446 176 HE2 TYR 21 HE2 TYR 21 8.637 -4.811 -12.521 177 HH TYR 21 HH TYR 21 7.744 -5.114 -10.269 178 H VAL 22 H VAL 22 7.633 -4.160 -17.112 179 HA VAL 22 HA VAL 22 7.171 -2.221 -15.019 180 HB VAL 22 HB VAL 22 9.444 -2.563 -16.975 181 HG11 VAL 22 HG11 VAL 22 8.785 -0.359 -15.139 182 HG12 VAL 22 HG12 VAL 22 10.445 -0.949 -15.056 183 HG13 VAL 22 HG13 VAL 22 9.790 -0.370 -16.588 184 HG21 VAL 22 HG21 VAL 22 9.022 -3.268 -14.091 185 HG22 VAL 22 HG22 VAL 22 9.572 -4.295 -15.414 186 HG23 VAL 22 HG23 VAL 22 10.642 -3.059 -14.754 187 H LYS 23 H LYS 23 6.701 -2.437 -18.416 188 HA LYS 23 HA LYS 23 6.857 0.291 -19.109 189 HB2 LYS 23 HB2 LYS 23 5.230 -1.940 -20.340 190 HB3 LYS 23 HB3 LYS 23 5.472 -0.359 -21.070 191 HG2 LYS 23 HG2 LYS 23 7.836 -2.014 -20.313 192 HG3 LYS 23 HG3 LYS 23 6.946 -2.370 -21.795 193 HD2 LYS 23 HD2 LYS 23 7.288 0.391 -21.826 194 HD3 LYS 23 HD3 LYS 23 8.825 -0.241 -21.232 195 HE2 LYS 23 HE2 LYS 23 9.158 -1.537 -23.163 196 HE3 LYS 23 HE3 LYS 23 7.474 -1.381 -23.660 197 HZ1 LYS 23 HZ1 LYS 23 8.614 1.179 -23.457 198 HZ2 LYS 23 HZ2 LYS 23 8.005 0.403 -24.831 199 HZ3 LYS 23 HZ3 LYS 23 9.631 0.215 -24.404 200 H HIS 24 H HIS 24 4.268 -1.685 -17.786 201 HA HIS 24 HA HIS 24 2.251 0.330 -18.083 202 HB2 HIS 24 HB2 HIS 24 1.235 -1.720 -17.978 203 HB3 HIS 24 HB3 HIS 24 2.424 -2.371 -16.854 204 HD1 HIS 24 HD1 HIS 24 -0.161 0.424 -16.605 205 HD2 HIS 24 HD2 HIS 24 1.202 -2.898 -14.514 206 HE1 HIS 24 HE1 HIS 24 -1.542 0.337 -14.505 207 H LEU 25 H LEU 25 4.511 -0.624 -15.588 208 HA LEU 25 HA LEU 25 3.409 0.625 -13.370 209 HB2 LEU 25 HB2 LEU 25 6.174 -0.064 -14.221 210 HB3 LEU 25 HB3 LEU 25 5.972 0.997 -12.829 211 HG LEU 25 HG LEU 25 5.178 -0.671 -11.497 212 HD11 LEU 25 HD11 LEU 25 4.044 -2.712 -12.374 213 HD12 LEU 25 HD12 LEU 25 4.138 -2.006 -13.988 214 HD13 LEU 25 HD13 LEU 25 3.203 -1.202 -12.727 215 HD21 LEU 25 HD21 LEU 25 6.757 -2.270 -11.562 216 HD22 LEU 25 HD22 LEU 25 7.405 -1.312 -12.894 217 HD23 LEU 25 HD23 LEU 25 6.388 -2.715 -13.229 218 H PHE 26 H PHE 26 5.640 1.974 -15.790 219 HA PHE 26 HA PHE 26 6.075 4.474 -14.792 220 HB2 PHE 26 HB2 PHE 26 5.498 3.801 -17.685 221 HB3 PHE 26 HB3 PHE 26 6.322 5.248 -17.114 222 HD1 PHE 26 HD1 PHE 26 6.907 2.308 -18.682 223 HD2 PHE 26 HD2 PHE 26 8.286 4.489 -15.297 224 HE1 PHE 26 HE1 PHE 26 9.058 1.119 -18.796 225 HE2 PHE 26 HE2 PHE 26 10.439 3.305 -15.407 226 HZ PHE 26 HZ PHE 26 10.828 1.618 -17.158 227 H ASP 27 H ASP 27 3.140 3.243 -16.235 228 HA ASP 27 HA ASP 27 1.743 5.521 -16.851 229 HB2 ASP 27 HB2 ASP 27 1.028 3.037 -16.995 230 HB3 ASP 27 HB3 ASP 27 0.411 3.273 -15.362 231 H ILE 28 H ILE 28 1.919 3.958 -13.658 232 HA ILE 28 HA ILE 28 0.728 6.354 -12.460 233 HB ILE 28 HB ILE 28 0.251 5.075 -10.528 234 HG12 ILE 28 HG12 ILE 28 2.064 2.958 -11.703 235 HG13 ILE 28 HG13 ILE 28 2.359 3.915 -10.255 236 HG21 ILE 28 HG21 ILE 28 -0.234 2.947 -12.542 237 HG22 ILE 28 HG22 ILE 28 -1.334 3.668 -11.368 238 HG23 ILE 28 HG23 ILE 28 -0.920 4.544 -12.842 239 HD11 ILE 28 HD11 ILE 28 0.124 1.930 -10.580 240 HD12 ILE 28 HD12 ILE 28 1.655 1.618 -9.761 241 HD13 ILE 28 HD13 ILE 28 0.539 2.822 -9.117 242 H GLY 29 H GLY 29 3.678 4.509 -12.613 243 HA2 GLY 29 HA2 GLY 29 5.788 5.554 -12.192 244 HA3 GLY 29 HA3 GLY 29 4.996 6.606 -11.029 245 H GLU 30 H GLU 30 4.330 3.195 -11.057 246 HA GLU 30 HA GLU 30 4.902 2.835 -8.352 247 HB2 GLU 30 HB2 GLU 30 3.896 1.267 -10.460 248 HB3 GLU 30 HB3 GLU 30 5.264 0.374 -9.810 249 HG2 GLU 30 HG2 GLU 30 4.290 0.479 -7.582 250 HG3 GLU 30 HG3 GLU 30 2.928 1.402 -8.214 251 H ILE 31 H ILE 31 6.748 1.361 -11.023 252 HA ILE 31 HA ILE 31 9.153 1.551 -9.333 253 HB ILE 31 HB ILE 31 8.573 -0.377 -11.585 254 HG12 ILE 31 HG12 ILE 31 8.756 -0.785 -8.593 255 HG13 ILE 31 HG13 ILE 31 7.296 -0.890 -9.569 256 HG21 ILE 31 HG21 ILE 31 10.935 0.207 -11.480 257 HG22 ILE 31 HG22 ILE 31 10.964 -0.177 -9.760 258 HG23 ILE 31 HG23 ILE 31 10.677 -1.453 -10.943 259 HD11 ILE 31 HD11 ILE 31 9.574 -2.791 -9.355 260 HD12 ILE 31 HD12 ILE 31 7.838 -3.098 -9.308 261 HD13 ILE 31 HD13 ILE 31 8.628 -2.733 -10.842 262 H THR 32 H THR 32 11.059 2.337 -10.184 263 HA THR 32 HA THR 32 10.756 4.015 -12.547 264 HB THR 32 HB THR 32 12.792 5.105 -11.884 265 HG1 THR 32 HG1 THR 32 13.985 4.302 -10.072 266 HG21 THR 32 HG21 THR 32 11.050 4.507 -9.491 267 HG22 THR 32 HG22 THR 32 10.837 5.817 -10.652 268 HG23 THR 32 HG23 THR 32 12.231 5.813 -9.573 269 H LYS 33 H LYS 33 12.582 4.138 -14.102 270 HA LYS 33 HA LYS 33 13.032 1.705 -15.366 271 HB2 LYS 33 HB2 LYS 33 14.391 4.379 -15.565 272 HB3 LYS 33 HB3 LYS 33 14.936 3.013 -16.529 273 HG2 LYS 33 HG2 LYS 33 13.490 3.941 -18.005 274 HG3 LYS 33 HG3 LYS 33 12.362 2.893 -17.141 275 HD2 LYS 33 HD2 LYS 33 11.416 5.114 -17.401 276 HD3 LYS 33 HD3 LYS 33 11.740 4.786 -15.697 277 HE2 LYS 33 HE2 LYS 33 13.131 6.518 -15.553 278 HE3 LYS 33 HE3 LYS 33 14.027 5.994 -16.978 279 HZ1 LYS 33 HZ1 LYS 33 12.577 7.167 -18.388 280 HZ2 LYS 33 HZ2 LYS 33 12.928 8.234 -17.124 281 HZ3 LYS 33 HZ3 LYS 33 11.442 7.427 -17.161 282 H GLU 34 H GLU 34 14.834 3.296 -12.845 283 HA GLU 34 HA GLU 34 17.317 2.139 -13.014 284 HB2 GLU 34 HB2 GLU 34 17.077 3.697 -11.300 285 HB3 GLU 34 HB3 GLU 34 15.615 2.940 -10.682 286 HG2 GLU 34 HG2 GLU 34 16.748 1.472 -9.402 287 HG3 GLU 34 HG3 GLU 34 18.071 1.316 -10.556 288 H LEU 35 H LEU 35 14.317 0.693 -11.902 289 HA LEU 35 HA LEU 35 15.601 -1.727 -10.996 290 HB2 LEU 35 HB2 LEU 35 13.099 -0.490 -10.634 291 HB3 LEU 35 HB3 LEU 35 12.783 -2.032 -11.427 292 HG LEU 35 HG LEU 35 14.096 -3.137 -9.597 293 HD11 LEU 35 HD11 LEU 35 15.431 -1.438 -8.706 294 HD12 LEU 35 HD12 LEU 35 14.203 -1.723 -7.473 295 HD13 LEU 35 HD13 LEU 35 14.069 -0.329 -8.543 296 HD21 LEU 35 HD21 LEU 35 11.538 -2.778 -9.725 297 HD22 LEU 35 HD22 LEU 35 11.801 -1.611 -8.429 298 HD23 LEU 35 HD23 LEU 35 12.253 -3.300 -8.200 299 H TYR 36 H TYR 36 13.451 -0.828 -13.684 300 HA TYR 36 HA TYR 36 13.228 -3.270 -14.940 301 HB2 TYR 36 HB2 TYR 36 11.927 -1.813 -16.077 302 HB3 TYR 36 HB3 TYR 36 12.999 -0.455 -15.757 303 HD1 TYR 36 HD1 TYR 36 14.135 0.483 -17.537 304 HD2 TYR 36 HD2 TYR 36 12.876 -3.572 -17.816 305 HE1 TYR 36 HE1 TYR 36 14.941 0.398 -19.859 306 HE2 TYR 36 HE2 TYR 36 13.681 -3.668 -20.138 307 HH TYR 36 HH TYR 36 14.304 -1.077 -21.975 308 H ILE 37 H ILE 37 15.868 -0.941 -15.107 309 HA ILE 37 HA ILE 37 17.313 -2.405 -17.112 310 HB ILE 37 HB ILE 37 18.028 -0.068 -15.359 311 HG12 ILE 37 HG12 ILE 37 18.402 0.419 -18.123 312 HG13 ILE 37 HG13 ILE 37 16.863 -0.419 -17.959 313 HG21 ILE 37 HG21 ILE 37 20.074 -1.253 -15.537 314 HG22 ILE 37 HG22 ILE 37 19.800 -1.603 -17.243 315 HG23 ILE 37 HG23 ILE 37 20.141 0.048 -16.726 316 HD11 ILE 37 HD11 ILE 37 15.873 1.392 -17.153 317 HD12 ILE 37 HD12 ILE 37 17.166 1.673 -15.987 318 HD13 ILE 37 HD13 ILE 37 17.317 2.282 -17.635 319 H GLU 38 H GLU 38 17.872 -1.759 -13.648 320 HA GLU 38 HA GLU 38 20.114 -3.322 -13.277 321 HB2 GLU 38 HB2 GLU 38 18.937 -1.782 -11.610 322 HB3 GLU 38 HB3 GLU 38 17.897 -3.152 -11.244 323 HG2 GLU 38 HG2 GLU 38 19.416 -4.030 -9.898 324 HG3 GLU 38 HG3 GLU 38 20.655 -3.944 -11.150 325 H LEU 39 H LEU 39 16.751 -4.342 -12.652 326 HA LEU 39 HA LEU 39 17.290 -7.018 -12.124 327 HB2 LEU 39 HB2 LEU 39 14.892 -5.547 -13.126 328 HB3 LEU 39 HB3 LEU 39 14.872 -7.309 -13.070 329 HG LEU 39 HG LEU 39 15.246 -7.246 -10.659 330 HD11 LEU 39 HD11 LEU 39 16.556 -5.194 -10.543 331 HD12 LEU 39 HD12 LEU 39 15.180 -5.133 -9.443 332 HD13 LEU 39 HD13 LEU 39 15.128 -4.249 -10.968 333 HD21 LEU 39 HD21 LEU 39 12.974 -5.442 -11.484 334 HD22 LEU 39 HD22 LEU 39 13.081 -6.394 -10.003 335 HD23 LEU 39 HD23 LEU 39 12.951 -7.204 -11.565 336 H SER 40 H SER 40 16.831 -5.355 -15.186 337 HA SER 40 HA SER 40 16.693 -7.704 -16.787 338 HB2 SER 40 HB2 SER 40 17.100 -4.785 -17.338 339 HB3 SER 40 HB3 SER 40 17.388 -5.960 -18.622 340 HG SER 40 HG SER 40 15.308 -6.349 -18.746 341 H SER 41 H SER 41 18.466 -8.949 -15.993 342 HA SER 41 HA SER 41 21.155 -8.022 -16.175 343 HB2 SER 41 HB2 SER 41 21.615 -10.578 -15.988 344 HB3 SER 41 HB3 SER 41 20.877 -9.745 -14.621 345 HG SER 41 HG SER 41 19.868 -11.782 -15.337 346 H ASP 42 H ASP 42 19.017 -9.847 -18.284 347 HA ASP 42 HA ASP 42 20.805 -10.841 -20.139 348 HB2 ASP 42 HB2 ASP 42 17.953 -10.173 -20.104 349 HB3 ASP 42 HB3 ASP 42 18.675 -10.063 -21.707 350 H LEU 43 H LEU 43 22.294 -9.883 -21.340 351 HA LEU 43 HA LEU 43 22.195 -7.020 -21.791 352 HB2 LEU 43 HB2 LEU 43 24.261 -8.386 -21.141 353 HB3 LEU 43 HB3 LEU 43 24.289 -8.908 -22.824 354 HG LEU 43 HG LEU 43 24.141 -6.024 -22.608 355 HD11 LEU 43 HD11 LEU 43 25.325 -6.446 -20.491 356 HD12 LEU 43 HD12 LEU 43 26.338 -5.631 -21.682 357 HD13 LEU 43 HD13 LEU 43 26.550 -7.355 -21.378 358 HD21 LEU 43 HD21 LEU 43 26.357 -6.409 -23.927 359 HD22 LEU 43 HD22 LEU 43 24.809 -6.825 -24.662 360 HD23 LEU 43 HD23 LEU 43 25.821 -8.089 -23.961 Start of MODEL 6 1 H1 MET 1 H MET 1 -1.602 -3.486 -6.196 2 HA MET 1 HA MET 1 -1.673 -1.025 -5.169 3 HB2 MET 1 HB2 MET 1 -1.479 -3.610 -3.625 4 HB3 MET 1 HB3 MET 1 -1.878 -2.071 -2.874 5 HG2 MET 1 HG2 MET 1 -3.999 -2.336 -3.418 6 HG3 MET 1 HG3 MET 1 -3.568 -2.420 -5.125 7 HE1 MET 1 HE1 MET 1 -5.017 -4.229 -6.228 8 HE2 MET 1 HE2 MET 1 -5.767 -5.503 -5.266 9 HE3 MET 1 HE3 MET 1 -6.012 -3.810 -4.833 10 H ASN 2 H ASN 2 0.843 -3.386 -4.277 11 HA ASN 2 HA ASN 2 2.516 -1.122 -3.405 12 HB2 ASN 2 HB2 ASN 2 1.662 -3.039 -1.747 13 HB3 ASN 2 HB3 ASN 2 3.082 -3.861 -2.387 14 HD21 ASN 2 HD21 ASN 2 1.993 -0.898 -0.827 15 HD22 ASN 2 HD22 ASN 2 3.485 -0.559 -0.023 16 H LYS 3 H LYS 3 4.872 -1.514 -3.596 17 HA LYS 3 HA LYS 3 5.516 -2.375 -6.235 18 HB2 LYS 3 HB2 LYS 3 7.768 -1.695 -5.726 19 HB3 LYS 3 HB3 LYS 3 6.662 -0.506 -5.051 20 HG2 LYS 3 HG2 LYS 3 6.895 -1.813 -2.862 21 HG3 LYS 3 HG3 LYS 3 8.293 -2.574 -3.624 22 HD2 LYS 3 HD2 LYS 3 9.536 -0.669 -3.558 23 HD3 LYS 3 HD3 LYS 3 8.131 0.383 -3.749 24 HE2 LYS 3 HE2 LYS 3 7.519 0.081 -1.450 25 HE3 LYS 3 HE3 LYS 3 8.760 -1.152 -1.232 26 HZ1 LYS 3 HZ1 LYS 3 9.045 1.490 -0.691 27 HZ2 LYS 3 HZ2 LYS 3 9.806 1.340 -2.194 28 HZ3 LYS 3 HZ3 LYS 3 10.313 0.388 -0.891 29 H GLU 4 H GLU 4 5.882 -3.759 -3.027 30 HA GLU 4 HA GLU 4 7.589 -5.895 -3.782 31 HB2 GLU 4 HB2 GLU 4 5.800 -5.394 -1.419 32 HB3 GLU 4 HB3 GLU 4 6.637 -6.928 -1.611 33 HG2 GLU 4 HG2 GLU 4 8.779 -5.663 -1.739 34 HG3 GLU 4 HG3 GLU 4 7.876 -4.202 -1.340 35 H HIS 5 H HIS 5 4.093 -5.518 -3.611 36 HA HIS 5 HA HIS 5 3.362 -8.200 -3.956 37 HB2 HIS 5 HB2 HIS 5 2.029 -5.762 -3.726 38 HB3 HIS 5 HB3 HIS 5 1.560 -6.366 -5.312 39 HD1 HIS 5 HD1 HIS 5 0.306 -6.371 -2.078 40 HD2 HIS 5 HD2 HIS 5 0.889 -9.389 -4.873 41 HE1 HIS 5 HE1 HIS 5 -1.238 -8.233 -1.389 42 H ILE 6 H ILE 6 3.629 -5.622 -6.406 43 HA ILE 6 HA ILE 6 3.234 -7.378 -8.604 44 HB ILE 6 HB ILE 6 3.891 -5.525 -10.017 45 HG12 ILE 6 HG12 ILE 6 4.801 -4.222 -7.444 46 HG13 ILE 6 HG13 ILE 6 5.822 -4.715 -8.790 47 HG21 ILE 6 HG21 ILE 6 1.993 -4.385 -9.649 48 HG22 ILE 6 HG22 ILE 6 1.740 -5.560 -8.359 49 HG23 ILE 6 HG23 ILE 6 2.438 -3.984 -7.990 50 HD11 ILE 6 HD11 ILE 6 3.891 -2.992 -9.865 51 HD12 ILE 6 HD12 ILE 6 4.450 -2.247 -8.367 52 HD13 ILE 6 HD13 ILE 6 5.610 -2.682 -9.622 53 H LEU 7 H LEU 7 6.069 -6.194 -6.905 54 HA LEU 7 HA LEU 7 8.086 -6.811 -8.678 55 HB2 LEU 7 HB2 LEU 7 8.590 -5.684 -6.645 56 HB3 LEU 7 HB3 LEU 7 7.993 -7.031 -5.679 57 HG LEU 7 HG LEU 7 9.914 -8.384 -6.658 58 HD11 LEU 7 HD11 LEU 7 10.277 -6.572 -8.460 59 HD12 LEU 7 HD12 LEU 7 11.686 -7.331 -7.719 60 HD13 LEU 7 HD13 LEU 7 11.175 -5.725 -7.201 61 HD21 LEU 7 HD21 LEU 7 9.711 -6.817 -4.416 62 HD22 LEU 7 HD22 LEU 7 11.228 -6.272 -5.132 63 HD23 LEU 7 HD23 LEU 7 10.997 -7.978 -4.745 64 H ALA 8 H ALA 8 6.680 -8.966 -6.212 65 HA ALA 8 HA ALA 8 8.152 -11.242 -6.700 66 HB1 ALA 8 HB1 ALA 8 6.123 -10.663 -5.048 67 HB2 ALA 8 HB2 ALA 8 5.269 -11.667 -6.221 68 HB3 ALA 8 HB3 ALA 8 6.671 -12.310 -5.366 69 H GLN 9 H GLN 9 5.543 -9.878 -8.580 70 HA GLN 9 HA GLN 9 4.925 -12.135 -10.146 71 HB2 GLN 9 HB2 GLN 9 4.760 -9.276 -11.090 72 HB3 GLN 9 HB3 GLN 9 3.773 -10.640 -11.598 73 HG2 GLN 9 HG2 GLN 9 3.732 -9.279 -8.916 74 HG3 GLN 9 HG3 GLN 9 2.488 -9.215 -10.163 75 HE21 GLN 9 HE21 GLN 9 3.126 -10.482 -7.281 76 HE22 GLN 9 HE22 GLN 9 2.234 -11.958 -7.370 77 H LYS 10 H LYS 10 7.059 -9.366 -10.834 78 HA LYS 10 HA LYS 10 8.001 -10.319 -13.306 79 HB2 LYS 10 HB2 LYS 10 9.608 -8.591 -13.210 80 HB3 LYS 10 HB3 LYS 10 8.205 -7.966 -12.354 81 HG2 LYS 10 HG2 LYS 10 9.443 -7.582 -10.565 82 HG3 LYS 10 HG3 LYS 10 9.884 -9.289 -10.478 83 HD2 LYS 10 HD2 LYS 10 11.271 -7.548 -12.460 84 HD3 LYS 10 HD3 LYS 10 11.718 -7.420 -10.757 85 HE2 LYS 10 HE2 LYS 10 11.618 -10.148 -11.226 86 HE3 LYS 10 HE3 LYS 10 12.337 -9.491 -12.695 87 HZ1 LYS 10 HZ1 LYS 10 14.170 -8.776 -11.592 88 HZ2 LYS 10 HZ2 LYS 10 13.781 -10.086 -10.596 89 HZ3 LYS 10 HZ3 LYS 10 13.353 -8.516 -10.134 90 H GLU 11 H GLU 11 8.615 -11.385 -10.149 91 HA GLU 11 HA GLU 11 11.202 -12.556 -10.840 92 HB2 GLU 11 HB2 GLU 11 10.139 -11.537 -8.466 93 HB3 GLU 11 HB3 GLU 11 10.179 -13.278 -8.225 94 HG2 GLU 11 HG2 GLU 11 12.637 -12.754 -9.333 95 HG3 GLU 11 HG3 GLU 11 12.352 -11.351 -8.305 96 H VAL 12 H VAL 12 8.181 -13.352 -11.495 97 HA VAL 12 HA VAL 12 8.728 -16.230 -11.294 98 HB VAL 12 HB VAL 12 6.386 -16.693 -10.748 99 HG11 VAL 12 HG11 VAL 12 8.336 -15.602 -9.024 100 HG12 VAL 12 HG12 VAL 12 6.772 -14.968 -8.508 101 HG13 VAL 12 HG13 VAL 12 7.024 -16.711 -8.623 102 HG21 VAL 12 HG21 VAL 12 5.738 -14.328 -11.729 103 HG22 VAL 12 HG22 VAL 12 4.750 -15.114 -10.497 104 HG23 VAL 12 HG23 VAL 12 5.889 -13.848 -10.039 105 H LEU 13 H LEU 13 8.826 -14.140 -13.446 106 HA LEU 13 HA LEU 13 7.218 -15.621 -15.395 107 HB2 LEU 13 HB2 LEU 13 6.739 -13.402 -16.523 108 HB3 LEU 13 HB3 LEU 13 5.834 -13.768 -15.056 109 HG LEU 13 HG LEU 13 7.720 -12.348 -13.909 110 HD11 LEU 13 HD11 LEU 13 7.802 -11.401 -16.767 111 HD12 LEU 13 HD12 LEU 13 9.140 -12.044 -15.815 112 HD13 LEU 13 HD13 LEU 13 8.426 -10.486 -15.394 113 HD21 LEU 13 HD21 LEU 13 6.339 -10.291 -14.387 114 HD22 LEU 13 HD22 LEU 13 5.451 -11.688 -13.777 115 HD23 LEU 13 HD23 LEU 13 5.393 -11.287 -15.494 116 H THR 14 H THR 14 7.972 -15.406 -17.593 117 HA THR 14 HA THR 14 10.678 -15.745 -17.938 118 HB THR 14 HB THR 14 9.960 -14.728 -20.381 119 HG1 THR 14 HG1 THR 14 7.846 -14.297 -19.857 120 HG21 THR 14 HG21 THR 14 8.991 -17.349 -20.381 121 HG22 THR 14 HG22 THR 14 10.229 -17.315 -19.125 122 HG23 THR 14 HG23 THR 14 10.628 -16.821 -20.770 123 HA PRO 15 HA PRO 15 12.659 -11.830 -17.981 124 HB2 PRO 15 HB2 PRO 15 14.396 -12.057 -20.055 125 HB3 PRO 15 HB3 PRO 15 14.608 -12.918 -18.526 126 HG2 PRO 15 HG2 PRO 15 13.484 -13.909 -21.118 127 HG3 PRO 15 HG3 PRO 15 14.606 -14.713 -20.005 128 HD2 PRO 15 HD2 PRO 15 11.960 -15.285 -20.072 129 HD3 PRO 15 HD3 PRO 15 12.919 -15.372 -18.580 130 H ILE 16 H ILE 16 11.201 -12.907 -20.979 131 HA ILE 16 HA ILE 16 11.388 -10.404 -22.335 132 HB ILE 16 HB ILE 16 9.897 -12.947 -22.816 133 HG12 ILE 16 HG12 ILE 16 12.248 -12.631 -23.568 134 HG13 ILE 16 HG13 ILE 16 11.135 -12.923 -24.900 135 HG21 ILE 16 HG21 ILE 16 8.185 -11.411 -23.342 136 HG22 ILE 16 HG22 ILE 16 9.315 -10.298 -24.112 137 HG23 ILE 16 HG23 ILE 16 8.934 -11.839 -24.880 138 HD11 ILE 16 HD11 ILE 16 11.079 -10.478 -25.308 139 HD12 ILE 16 HD12 ILE 16 12.324 -10.290 -24.072 140 HD13 ILE 16 HD13 ILE 16 12.667 -11.210 -25.537 141 H GLU 17 H GLU 17 8.991 -11.931 -20.267 142 HA GLU 17 HA GLU 17 6.971 -9.953 -20.744 143 HB2 GLU 17 HB2 GLU 17 7.281 -12.168 -18.728 144 HB3 GLU 17 HB3 GLU 17 5.938 -11.036 -18.657 145 HG2 GLU 17 HG2 GLU 17 5.346 -11.697 -20.982 146 HG3 GLU 17 HG3 GLU 17 6.595 -12.937 -20.892 147 H TYR 18 H TYR 18 9.374 -10.556 -18.225 148 HA TYR 18 HA TYR 18 8.587 -8.671 -16.352 149 HB2 TYR 18 HB2 TYR 18 10.309 -9.829 -15.455 150 HB3 TYR 18 HB3 TYR 18 11.081 -10.083 -17.016 151 HD1 TYR 18 HD1 TYR 18 10.461 -7.363 -14.531 152 HD2 TYR 18 HD2 TYR 18 13.086 -9.012 -17.445 153 HE1 TYR 18 HE1 TYR 18 12.147 -5.664 -13.965 154 HE2 TYR 18 HE2 TYR 18 14.779 -7.318 -16.887 155 HH TYR 18 HH TYR 18 14.994 -5.196 -15.872 156 H GLU 19 H GLU 19 10.328 -8.250 -19.364 157 HA GLU 19 HA GLU 19 11.339 -5.684 -19.003 158 HB2 GLU 19 HB2 GLU 19 10.487 -7.261 -21.397 159 HB3 GLU 19 HB3 GLU 19 10.895 -5.563 -21.593 160 HG2 GLU 19 HG2 GLU 19 13.088 -6.072 -20.474 161 HG3 GLU 19 HG3 GLU 19 12.666 -7.778 -20.608 162 H HIS 20 H HIS 20 8.107 -6.755 -19.862 163 HA HIS 20 HA HIS 20 7.187 -4.033 -20.291 164 HB2 HIS 20 HB2 HIS 20 6.093 -6.750 -20.732 165 HB3 HIS 20 HB3 HIS 20 4.918 -5.496 -20.347 166 HD1 HIS 20 HD1 HIS 20 4.626 -3.576 -22.076 167 HD2 HIS 20 HD2 HIS 20 7.260 -6.565 -23.254 168 HE1 HIS 20 HE1 HIS 20 5.000 -3.210 -24.536 169 H TYR 21 H TYR 21 7.260 -6.411 -17.784 170 HA TYR 21 HA TYR 21 5.123 -5.716 -16.187 171 HB2 TYR 21 HB2 TYR 21 6.196 -7.493 -15.258 172 HB3 TYR 21 HB3 TYR 21 7.791 -6.908 -15.721 173 HD1 TYR 21 HD1 TYR 21 5.210 -6.885 -13.136 174 HD2 TYR 21 HD2 TYR 21 9.018 -5.366 -14.276 175 HE1 TYR 21 HE1 TYR 21 5.606 -6.156 -10.821 176 HE2 TYR 21 HE2 TYR 21 9.424 -4.633 -11.964 177 HH TYR 21 HH TYR 21 8.663 -5.160 -9.705 178 H VAL 22 H VAL 22 8.132 -4.018 -16.699 179 HA VAL 22 HA VAL 22 7.564 -2.113 -14.568 180 HB VAL 22 HB VAL 22 9.878 -2.290 -16.501 181 HG11 VAL 22 HG11 VAL 22 9.010 -0.161 -14.700 182 HG12 VAL 22 HG12 VAL 22 10.680 -0.670 -14.443 183 HG13 VAL 22 HG13 VAL 22 10.160 -0.119 -16.036 184 HG21 VAL 22 HG21 VAL 22 9.409 -3.219 -13.710 185 HG22 VAL 22 HG22 VAL 22 10.254 -4.017 -15.037 186 HG23 VAL 22 HG23 VAL 22 11.027 -2.690 -14.170 187 H LYS 23 H LYS 23 7.170 -2.451 -17.967 188 HA LYS 23 HA LYS 23 7.161 0.239 -18.767 189 HB2 LYS 23 HB2 LYS 23 6.251 -2.325 -19.863 190 HB3 LYS 23 HB3 LYS 23 5.300 -0.949 -20.405 191 HG2 LYS 23 HG2 LYS 23 7.069 -1.367 -21.972 192 HG3 LYS 23 HG3 LYS 23 7.378 0.159 -21.139 193 HD2 LYS 23 HD2 LYS 23 8.708 -1.519 -19.518 194 HD3 LYS 23 HD3 LYS 23 8.860 -2.397 -21.042 195 HE2 LYS 23 HE2 LYS 23 9.519 0.526 -20.774 196 HE3 LYS 23 HE3 LYS 23 10.706 -0.746 -20.490 197 HZ1 LYS 23 HZ1 LYS 23 9.224 -0.921 -22.982 198 HZ2 LYS 23 HZ2 LYS 23 10.860 -1.214 -22.672 199 HZ3 LYS 23 HZ3 LYS 23 10.307 0.374 -22.861 200 H HIS 24 H HIS 24 4.428 -1.868 -17.872 201 HA HIS 24 HA HIS 24 2.445 0.109 -18.034 202 HB2 HIS 24 HB2 HIS 24 1.467 -1.953 -17.931 203 HB3 HIS 24 HB3 HIS 24 2.670 -2.586 -16.811 204 HD1 HIS 24 HD1 HIS 24 0.068 0.186 -16.498 205 HD2 HIS 24 HD2 HIS 24 1.402 -3.216 -14.520 206 HE1 HIS 24 HE1 HIS 24 -1.328 0.030 -14.413 207 H LEU 25 H LEU 25 4.582 -0.849 -15.410 208 HA LEU 25 HA LEU 25 3.404 0.418 -13.262 209 HB2 LEU 25 HB2 LEU 25 6.126 -0.402 -13.994 210 HB3 LEU 25 HB3 LEU 25 6.044 0.883 -12.791 211 HG LEU 25 HG LEU 25 4.998 -0.488 -11.221 212 HD11 LEU 25 HD11 LEU 25 4.118 -2.754 -11.814 213 HD12 LEU 25 HD12 LEU 25 4.348 -2.332 -13.511 214 HD13 LEU 25 HD13 LEU 25 3.224 -1.406 -12.517 215 HD21 LEU 25 HD21 LEU 25 6.413 -2.810 -12.085 216 HD22 LEU 25 HD22 LEU 25 6.838 -1.658 -10.819 217 HD23 LEU 25 HD23 LEU 25 7.363 -1.377 -12.480 218 H PHE 26 H PHE 26 5.643 1.797 -15.650 219 HA PHE 26 HA PHE 26 6.038 4.305 -14.652 220 HB2 PHE 26 HB2 PHE 26 5.533 3.534 -17.532 221 HB3 PHE 26 HB3 PHE 26 6.202 5.079 -17.018 222 HD1 PHE 26 HD1 PHE 26 7.104 2.158 -18.454 223 HD2 PHE 26 HD2 PHE 26 8.194 4.587 -15.133 224 HE1 PHE 26 HE1 PHE 26 9.363 1.183 -18.486 225 HE2 PHE 26 HE2 PHE 26 10.455 3.617 -15.161 226 HZ PHE 26 HZ PHE 26 11.043 1.913 -16.840 227 H ASP 27 H ASP 27 3.138 3.042 -16.152 228 HA ASP 27 HA ASP 27 1.722 5.317 -16.745 229 HB2 ASP 27 HB2 ASP 27 0.915 3.020 -17.171 230 HB3 ASP 27 HB3 ASP 27 0.612 2.819 -15.447 231 H ILE 28 H ILE 28 2.166 3.804 -13.584 232 HA ILE 28 HA ILE 28 0.771 6.077 -12.342 233 HB ILE 28 HB ILE 28 0.389 4.749 -10.420 234 HG12 ILE 28 HG12 ILE 28 2.285 2.741 -11.652 235 HG13 ILE 28 HG13 ILE 28 2.557 3.692 -10.197 236 HG21 ILE 28 HG21 ILE 28 -0.023 2.622 -12.444 237 HG22 ILE 28 HG22 ILE 28 -1.145 3.294 -11.262 238 HG23 ILE 28 HG23 ILE 28 -0.778 4.189 -12.737 239 HD11 ILE 28 HD11 ILE 28 0.420 1.600 -10.516 240 HD12 ILE 28 HD12 ILE 28 1.975 1.360 -9.717 241 HD13 ILE 28 HD13 ILE 28 0.805 2.498 -9.048 242 H GLY 29 H GLY 29 3.813 4.397 -12.558 243 HA2 GLY 29 HA2 GLY 29 5.888 5.457 -12.123 244 HA3 GLY 29 HA3 GLY 29 5.063 6.568 -11.039 245 H GLU 30 H GLU 30 4.470 3.146 -10.858 246 HA GLU 30 HA GLU 30 5.000 2.969 -8.129 247 HB2 GLU 30 HB2 GLU 30 4.043 1.259 -10.124 248 HB3 GLU 30 HB3 GLU 30 5.460 0.445 -9.476 249 HG2 GLU 30 HG2 GLU 30 3.142 1.456 -7.844 250 HG3 GLU 30 HG3 GLU 30 3.385 -0.216 -8.348 251 H ILE 31 H ILE 31 6.953 1.448 -10.699 252 HA ILE 31 HA ILE 31 9.306 1.756 -8.955 253 HB ILE 31 HB ILE 31 8.830 -0.244 -11.167 254 HG12 ILE 31 HG12 ILE 31 9.031 -0.592 -8.167 255 HG13 ILE 31 HG13 ILE 31 7.557 -0.719 -9.122 256 HG21 ILE 31 HG21 ILE 31 11.200 0.111 -9.337 257 HG22 ILE 31 HG22 ILE 31 10.963 -1.233 -10.453 258 HG23 ILE 31 HG23 ILE 31 11.166 0.404 -11.076 259 HD11 ILE 31 HD11 ILE 31 9.919 -2.564 -9.089 260 HD12 ILE 31 HD12 ILE 31 8.235 -2.920 -8.700 261 HD13 ILE 31 HD13 ILE 31 8.706 -2.600 -10.369 262 H THR 32 H THR 32 11.215 2.569 -9.781 263 HA THR 32 HA THR 32 10.932 4.321 -12.055 264 HB THR 32 HB THR 32 13.495 4.668 -11.460 265 HG1 THR 32 HG1 THR 32 13.774 4.284 -9.185 266 HG21 THR 32 HG21 THR 32 11.220 5.637 -9.724 267 HG22 THR 32 HG22 THR 32 11.766 6.373 -11.231 268 HG23 THR 32 HG23 THR 32 12.820 6.371 -9.818 269 H LYS 33 H LYS 33 12.098 4.249 -13.971 270 HA LYS 33 HA LYS 33 12.479 1.823 -15.206 271 HB2 LYS 33 HB2 LYS 33 14.010 3.141 -16.788 272 HB3 LYS 33 HB3 LYS 33 12.350 3.697 -16.612 273 HG2 LYS 33 HG2 LYS 33 13.063 5.699 -16.006 274 HG3 LYS 33 HG3 LYS 33 13.955 4.998 -14.653 275 HD2 LYS 33 HD2 LYS 33 15.185 4.711 -17.325 276 HD3 LYS 33 HD3 LYS 33 15.126 6.346 -16.663 277 HE2 LYS 33 HE2 LYS 33 15.970 4.887 -14.513 278 HE3 LYS 33 HE3 LYS 33 16.738 4.038 -15.854 279 HZ1 LYS 33 HZ1 LYS 33 16.971 6.877 -16.090 280 HZ2 LYS 33 HZ2 LYS 33 18.175 5.691 -16.139 281 HZ3 LYS 33 HZ3 LYS 33 17.656 6.307 -14.652 282 H GLU 34 H GLU 34 14.715 3.631 -13.214 283 HA GLU 34 HA GLU 34 17.142 2.524 -13.836 284 HB2 GLU 34 HB2 GLU 34 16.042 3.178 -11.098 285 HB3 GLU 34 HB3 GLU 34 17.735 2.841 -11.427 286 HG2 GLU 34 HG2 GLU 34 17.463 4.766 -13.177 287 HG3 GLU 34 HG3 GLU 34 16.097 5.214 -12.157 288 H LEU 35 H LEU 35 14.544 1.096 -11.932 289 HA LEU 35 HA LEU 35 16.027 -1.194 -11.111 290 HB2 LEU 35 HB2 LEU 35 13.495 -0.083 -10.594 291 HB3 LEU 35 HB3 LEU 35 13.207 -1.701 -11.231 292 HG LEU 35 HG LEU 35 14.677 -2.619 -9.468 293 HD11 LEU 35 HD11 LEU 35 16.148 -0.878 -8.936 294 HD12 LEU 35 HD12 LEU 35 15.109 -1.030 -7.519 295 HD13 LEU 35 HD13 LEU 35 14.835 0.272 -8.677 296 HD21 LEU 35 HD21 LEU 35 12.159 -2.290 -9.253 297 HD22 LEU 35 HD22 LEU 35 12.542 -0.913 -8.220 298 HD23 LEU 35 HD23 LEU 35 13.069 -2.533 -7.761 299 H TYR 36 H TYR 36 13.825 -0.502 -13.782 300 HA TYR 36 HA TYR 36 13.578 -3.113 -14.775 301 HB2 TYR 36 HB2 TYR 36 12.047 -1.753 -15.787 302 HB3 TYR 36 HB3 TYR 36 13.144 -0.378 -15.844 303 HD1 TYR 36 HD1 TYR 36 12.299 -3.588 -17.485 304 HD2 TYR 36 HD2 TYR 36 14.398 0.100 -17.792 305 HE1 TYR 36 HE1 TYR 36 12.721 -4.033 -19.867 306 HE2 TYR 36 HE2 TYR 36 14.825 -0.335 -20.175 307 HH TYR 36 HH TYR 36 14.143 -1.623 -21.963 308 H ILE 37 H ILE 37 16.099 -0.728 -15.108 309 HA ILE 37 HA ILE 37 17.436 -2.093 -17.264 310 HB ILE 37 HB ILE 37 18.355 0.159 -15.476 311 HG12 ILE 37 HG12 ILE 37 16.473 0.697 -16.991 312 HG13 ILE 37 HG13 ILE 37 17.940 1.574 -17.416 313 HG21 ILE 37 HG21 ILE 37 20.279 -1.061 -16.270 314 HG22 ILE 37 HG22 ILE 37 19.658 -1.031 -17.920 315 HG23 ILE 37 HG23 ILE 37 20.157 0.469 -17.138 316 HD11 ILE 37 HD11 ILE 37 16.880 0.807 -19.415 317 HD12 ILE 37 HD12 ILE 37 18.367 -0.112 -19.179 318 HD13 ILE 37 HD13 ILE 37 16.809 -0.844 -18.799 319 H GLU 38 H GLU 38 18.264 -1.454 -13.851 320 HA GLU 38 HA GLU 38 20.550 -2.991 -13.686 321 HB2 GLU 38 HB2 GLU 38 18.957 -1.583 -11.900 322 HB3 GLU 38 HB3 GLU 38 18.912 -3.231 -11.291 323 HG2 GLU 38 HG2 GLU 38 21.218 -3.298 -10.952 324 HG3 GLU 38 HG3 GLU 38 21.502 -1.903 -11.991 325 H LEU 39 H LEU 39 17.271 -4.039 -12.741 326 HA LEU 39 HA LEU 39 17.872 -6.704 -12.248 327 HB2 LEU 39 HB2 LEU 39 15.408 -5.215 -12.984 328 HB3 LEU 39 HB3 LEU 39 15.368 -6.975 -13.068 329 HG LEU 39 HG LEU 39 15.887 -7.133 -10.708 330 HD11 LEU 39 HD11 LEU 39 16.449 -4.253 -11.035 331 HD12 LEU 39 HD12 LEU 39 17.214 -5.451 -9.992 332 HD13 LEU 39 HD13 LEU 39 15.667 -4.740 -9.531 333 HD21 LEU 39 HD21 LEU 39 13.714 -5.076 -10.992 334 HD22 LEU 39 HD22 LEU 39 13.822 -6.411 -9.844 335 HD23 LEU 39 HD23 LEU 39 13.522 -6.738 -11.551 336 H SER 40 H SER 40 17.158 -5.072 -15.276 337 HA SER 40 HA SER 40 16.827 -7.376 -16.872 338 HB2 SER 40 HB2 SER 40 16.054 -5.481 -17.944 339 HB3 SER 40 HB3 SER 40 17.411 -4.492 -17.404 340 HG SER 40 HG SER 40 17.491 -6.522 -19.389 341 H SER 41 H SER 41 18.436 -8.869 -16.450 342 HA SER 41 HA SER 41 21.138 -8.108 -17.351 343 HB2 SER 41 HB2 SER 41 20.820 -8.687 -14.863 344 HB3 SER 41 HB3 SER 41 20.591 -10.348 -15.410 345 HG SER 41 HG SER 41 22.757 -10.030 -14.930 346 H ASP 42 H ASP 42 19.099 -9.013 -19.085 347 HA ASP 42 HA ASP 42 20.121 -11.680 -19.816 348 HB2 ASP 42 HB2 ASP 42 17.444 -10.835 -19.377 349 HB3 ASP 42 HB3 ASP 42 17.622 -11.147 -21.101 350 H LEU 43 H LEU 43 18.404 -8.955 -21.356 351 HA LEU 43 HA LEU 43 20.427 -8.988 -23.486 352 HB2 LEU 43 HB2 LEU 43 17.564 -9.505 -23.698 353 HB3 LEU 43 HB3 LEU 43 18.124 -8.236 -24.785 354 HG LEU 43 HG LEU 43 19.614 -10.814 -24.730 355 HD11 LEU 43 HD11 LEU 43 17.090 -10.463 -26.327 356 HD12 LEU 43 HD12 LEU 43 17.159 -11.355 -24.807 357 HD13 LEU 43 HD13 LEU 43 18.103 -11.901 -26.194 358 HD21 LEU 43 HD21 LEU 43 20.539 -9.141 -26.112 359 HD22 LEU 43 HD22 LEU 43 18.962 -8.702 -26.769 360 HD23 LEU 43 HD23 LEU 43 19.697 -10.249 -27.196 Start of MODEL 7 1 H1 MET 1 H MET 1 1.565 0.799 -5.088 2 HA MET 1 HA MET 1 0.275 -1.075 -5.565 3 HB2 MET 1 HB2 MET 1 1.565 -1.105 -7.816 4 HB3 MET 1 HB3 MET 1 2.571 -2.323 -7.044 5 HG2 MET 1 HG2 MET 1 0.982 -3.554 -8.201 6 HG3 MET 1 HG3 MET 1 0.390 -3.548 -6.542 7 HE1 MET 1 HE1 MET 1 -1.687 -3.924 -6.439 8 HE2 MET 1 HE2 MET 1 -2.368 -2.347 -6.038 9 HE3 MET 1 HE3 MET 1 -3.044 -3.286 -7.369 10 H ASN 2 H ASN 2 3.662 -2.187 -5.422 11 HA ASN 2 HA ASN 2 3.278 -3.142 -2.711 12 HB2 ASN 2 HB2 ASN 2 3.440 -4.945 -5.080 13 HB3 ASN 2 HB3 ASN 2 4.288 -5.434 -3.616 14 HD21 ASN 2 HD21 ASN 2 2.825 -4.974 -1.581 15 HD22 ASN 2 HD22 ASN 2 1.237 -5.644 -1.698 16 H LYS 3 H LYS 3 5.379 -3.011 -5.557 17 HA LYS 3 HA LYS 3 7.567 -2.396 -5.765 18 HB2 LYS 3 HB2 LYS 3 6.870 -0.865 -3.755 19 HB3 LYS 3 HB3 LYS 3 7.831 -1.994 -2.808 20 HG2 LYS 3 HG2 LYS 3 9.759 -1.533 -4.280 21 HG3 LYS 3 HG3 LYS 3 8.785 -0.330 -5.130 22 HD2 LYS 3 HD2 LYS 3 8.759 0.031 -2.241 23 HD3 LYS 3 HD3 LYS 3 10.382 0.130 -2.927 24 HE2 LYS 3 HE2 LYS 3 9.387 1.722 -4.643 25 HE3 LYS 3 HE3 LYS 3 7.964 1.784 -3.604 26 HZ1 LYS 3 HZ1 LYS 3 8.984 3.172 -2.226 27 HZ2 LYS 3 HZ2 LYS 3 10.211 3.330 -3.380 28 HZ3 LYS 3 HZ3 LYS 3 10.367 2.202 -2.130 29 H GLU 4 H GLU 4 7.373 -3.942 -2.553 30 HA GLU 4 HA GLU 4 9.635 -5.624 -3.179 31 HB2 GLU 4 HB2 GLU 4 7.891 -5.268 -0.756 32 HB3 GLU 4 HB3 GLU 4 9.043 -6.592 -0.859 33 HG2 GLU 4 HG2 GLU 4 10.879 -5.148 -0.891 34 HG3 GLU 4 HG3 GLU 4 9.883 -3.750 -1.290 35 H HIS 5 H HIS 5 6.154 -5.998 -2.752 36 HA HIS 5 HA HIS 5 6.251 -8.859 -3.123 37 HB2 HIS 5 HB2 HIS 5 4.430 -7.104 -1.984 38 HB3 HIS 5 HB3 HIS 5 3.632 -7.619 -3.467 39 HD1 HIS 5 HD1 HIS 5 5.427 -9.289 -0.549 40 HD2 HIS 5 HD2 HIS 5 2.238 -9.906 -3.140 41 HE1 HIS 5 HE1 HIS 5 4.357 -11.437 0.201 42 H ILE 6 H ILE 6 5.475 -6.018 -5.047 43 HA ILE 6 HA ILE 6 4.295 -7.231 -7.252 44 HB ILE 6 HB ILE 6 4.548 -4.745 -6.815 45 HG12 ILE 6 HG12 ILE 6 5.220 -5.791 -9.574 46 HG13 ILE 6 HG13 ILE 6 3.603 -5.635 -8.896 47 HG21 ILE 6 HG21 ILE 6 7.058 -4.818 -8.403 48 HG22 ILE 6 HG22 ILE 6 6.485 -3.617 -7.247 49 HG23 ILE 6 HG23 ILE 6 7.154 -5.144 -6.673 50 HD11 ILE 6 HD11 ILE 6 4.969 -3.125 -8.743 51 HD12 ILE 6 HD12 ILE 6 5.024 -3.752 -10.391 52 HD13 ILE 6 HD13 ILE 6 3.473 -3.540 -9.579 53 H LEU 7 H LEU 7 7.656 -7.033 -6.314 54 HA LEU 7 HA LEU 7 8.950 -7.604 -8.683 55 HB2 LEU 7 HB2 LEU 7 9.992 -7.106 -6.459 56 HB3 LEU 7 HB3 LEU 7 9.670 -8.778 -6.004 57 HG LEU 7 HG LEU 7 11.102 -9.441 -7.996 58 HD11 LEU 7 HD11 LEU 7 11.005 -7.218 -9.093 59 HD12 LEU 7 HD12 LEU 7 12.645 -7.824 -8.866 60 HD13 LEU 7 HD13 LEU 7 12.011 -6.575 -7.794 61 HD21 LEU 7 HD21 LEU 7 11.838 -8.489 -5.371 62 HD22 LEU 7 HD22 LEU 7 13.160 -8.286 -6.520 63 HD23 LEU 7 HD23 LEU 7 12.441 -9.878 -6.275 64 H ALA 8 H ALA 8 7.157 -9.749 -6.569 65 HA ALA 8 HA ALA 8 8.013 -12.200 -7.673 66 HB1 ALA 8 HB1 ALA 8 6.269 -11.383 -5.642 67 HB2 ALA 8 HB2 ALA 8 5.293 -12.341 -6.757 68 HB3 ALA 8 HB3 ALA 8 6.752 -13.031 -6.045 69 H GLN 9 H GLN 9 5.524 -9.911 -8.605 70 HA GLN 9 HA GLN 9 4.089 -11.531 -10.387 71 HB2 GLN 9 HB2 GLN 9 4.557 -8.550 -10.565 72 HB3 GLN 9 HB3 GLN 9 3.270 -9.446 -11.360 73 HG2 GLN 9 HG2 GLN 9 3.632 -8.991 -8.411 74 HG3 GLN 9 HG3 GLN 9 2.356 -8.361 -9.451 75 HE21 GLN 9 HE21 GLN 9 3.065 -10.638 -7.205 76 HE22 GLN 9 HE22 GLN 9 1.841 -11.802 -7.569 77 H LYS 10 H LYS 10 6.697 -9.196 -11.065 78 HA LYS 10 HA LYS 10 6.914 -9.914 -13.806 79 HB2 LYS 10 HB2 LYS 10 8.751 -8.434 -13.901 80 HB3 LYS 10 HB3 LYS 10 7.655 -7.735 -12.716 81 HG2 LYS 10 HG2 LYS 10 9.356 -7.638 -11.305 82 HG3 LYS 10 HG3 LYS 10 9.351 -9.403 -11.255 83 HD2 LYS 10 HD2 LYS 10 10.723 -9.060 -13.517 84 HD3 LYS 10 HD3 LYS 10 11.137 -7.541 -12.719 85 HE2 LYS 10 HE2 LYS 10 12.123 -8.649 -10.894 86 HE3 LYS 10 HE3 LYS 10 11.381 -10.189 -11.322 87 HZ1 LYS 10 HZ1 LYS 10 13.084 -10.686 -12.632 88 HZ2 LYS 10 HZ2 LYS 10 13.901 -9.350 -11.993 89 HZ3 LYS 10 HZ3 LYS 10 13.020 -9.194 -13.428 90 H GLU 11 H GLU 11 7.873 -11.481 -10.992 91 HA GLU 11 HA GLU 11 10.170 -12.805 -12.200 92 HB2 GLU 11 HB2 GLU 11 9.069 -12.526 -9.476 93 HB3 GLU 11 HB3 GLU 11 9.795 -14.087 -9.833 94 HG2 GLU 11 HG2 GLU 11 11.685 -12.415 -10.807 95 HG3 GLU 11 HG3 GLU 11 11.044 -11.460 -9.471 96 H VAL 12 H VAL 12 6.809 -13.340 -11.599 97 HA VAL 12 HA VAL 12 7.010 -16.204 -12.104 98 HB VAL 12 HB VAL 12 4.575 -16.242 -11.727 99 HG11 VAL 12 HG11 VAL 12 5.423 -16.655 -9.690 100 HG12 VAL 12 HG12 VAL 12 6.548 -15.299 -9.775 101 HG13 VAL 12 HG13 VAL 12 4.869 -15.025 -9.311 102 HG21 VAL 12 HG21 VAL 12 4.465 -13.735 -12.554 103 HG22 VAL 12 HG22 VAL 12 3.270 -14.388 -11.433 104 HG23 VAL 12 HG23 VAL 12 4.605 -13.409 -10.826 105 H LEU 13 H LEU 13 7.496 -13.962 -14.125 106 HA LEU 13 HA LEU 13 5.867 -15.160 -16.246 107 HB2 LEU 13 HB2 LEU 13 5.707 -12.821 -17.249 108 HB3 LEU 13 HB3 LEU 13 4.646 -13.211 -15.897 109 HG LEU 13 HG LEU 13 6.485 -12.066 -14.460 110 HD11 LEU 13 HD11 LEU 13 7.114 -11.073 -17.227 111 HD12 LEU 13 HD12 LEU 13 8.212 -11.788 -16.046 112 HD13 LEU 13 HD13 LEU 13 7.540 -10.182 -15.766 113 HD21 LEU 13 HD21 LEU 13 5.445 -9.790 -15.145 114 HD22 LEU 13 HD22 LEU 13 4.411 -11.044 -14.461 115 HD23 LEU 13 HD23 LEU 13 4.431 -10.770 -16.204 116 H THR 14 H THR 14 6.756 -14.855 -18.394 117 HA THR 14 HA THR 14 9.430 -15.466 -18.625 118 HB THR 14 HB THR 14 9.011 -14.274 -21.027 119 HG1 THR 14 HG1 THR 14 6.760 -14.607 -21.491 120 HG21 THR 14 HG21 THR 14 7.602 -16.855 -20.593 121 HG22 THR 14 HG22 THR 14 9.318 -16.779 -20.192 122 HG23 THR 14 HG23 THR 14 8.776 -16.402 -21.827 123 HA PRO 15 HA PRO 15 11.799 -11.788 -18.279 124 HB2 PRO 15 HB2 PRO 15 13.634 -12.071 -20.259 125 HB3 PRO 15 HB3 PRO 15 13.656 -13.042 -18.782 126 HG2 PRO 15 HG2 PRO 15 12.607 -13.746 -21.496 127 HG3 PRO 15 HG3 PRO 15 13.566 -14.732 -20.377 128 HD2 PRO 15 HD2 PRO 15 10.886 -15.014 -20.636 129 HD3 PRO 15 HD3 PRO 15 11.731 -15.293 -19.100 130 H ILE 16 H ILE 16 10.464 -12.521 -21.439 131 HA ILE 16 HA ILE 16 10.964 -9.932 -22.556 132 HB ILE 16 HB ILE 16 9.393 -12.325 -23.410 133 HG12 ILE 16 HG12 ILE 16 11.138 -10.828 -25.263 134 HG13 ILE 16 HG13 ILE 16 11.949 -11.510 -23.857 135 HG21 ILE 16 HG21 ILE 16 7.829 -10.646 -23.957 136 HG22 ILE 16 HG22 ILE 16 9.090 -9.543 -24.507 137 HG23 ILE 16 HG23 ILE 16 8.707 -10.985 -25.448 138 HD11 ILE 16 HD11 ILE 16 11.524 -13.673 -24.498 139 HD12 ILE 16 HD12 ILE 16 10.131 -13.222 -25.481 140 HD13 ILE 16 HD13 ILE 16 11.763 -12.877 -26.053 141 H GLU 17 H GLU 17 8.290 -11.469 -20.873 142 HA GLU 17 HA GLU 17 6.431 -9.347 -21.370 143 HB2 GLU 17 HB2 GLU 17 6.423 -11.675 -19.451 144 HB3 GLU 17 HB3 GLU 17 5.114 -10.504 -19.532 145 HG2 GLU 17 HG2 GLU 17 5.140 -11.117 -22.078 146 HG3 GLU 17 HG3 GLU 17 5.921 -12.585 -21.496 147 H TYR 18 H TYR 18 8.646 -10.202 -18.773 148 HA TYR 18 HA TYR 18 7.767 -8.467 -16.791 149 HB2 TYR 18 HB2 TYR 18 9.442 -9.564 -15.790 150 HB3 TYR 18 HB3 TYR 18 10.145 -10.017 -17.339 151 HD1 TYR 18 HD1 TYR 18 12.166 -9.075 -18.033 152 HD2 TYR 18 HD2 TYR 18 9.976 -7.216 -14.894 153 HE1 TYR 18 HE1 TYR 18 14.053 -7.549 -17.628 154 HE2 TYR 18 HE2 TYR 18 11.856 -5.685 -14.481 155 HH TYR 18 HH TYR 18 14.444 -5.328 -16.637 156 H GLU 19 H GLU 19 9.986 -7.870 -19.485 157 HA GLU 19 HA GLU 19 10.832 -5.313 -18.834 158 HB2 GLU 19 HB2 GLU 19 10.485 -6.802 -21.394 159 HB3 GLU 19 HB3 GLU 19 10.795 -5.074 -21.477 160 HG2 GLU 19 HG2 GLU 19 12.860 -5.331 -20.280 161 HG3 GLU 19 HG3 GLU 19 12.532 -7.042 -20.007 162 H HIS 20 H HIS 20 7.822 -6.377 -20.295 163 HA HIS 20 HA HIS 20 6.931 -3.656 -20.766 164 HB2 HIS 20 HB2 HIS 20 6.033 -6.355 -21.518 165 HB3 HIS 20 HB3 HIS 20 4.727 -5.224 -21.177 166 HD1 HIS 20 HD1 HIS 20 4.162 -3.566 -22.966 167 HD2 HIS 20 HD2 HIS 20 7.790 -5.471 -23.652 168 HE1 HIS 20 HE1 HIS 20 4.870 -2.854 -25.272 169 H TYR 21 H TYR 21 6.655 -6.103 -18.344 170 HA TYR 21 HA TYR 21 4.268 -5.409 -17.097 171 HB2 TYR 21 HB2 TYR 21 4.975 -7.202 -15.951 172 HB3 TYR 21 HB3 TYR 21 6.649 -6.929 -16.422 173 HD1 TYR 21 HD1 TYR 21 4.170 -6.542 -13.806 174 HD2 TYR 21 HD2 TYR 21 8.094 -5.455 -15.040 175 HE1 TYR 21 HE1 TYR 21 4.697 -5.855 -11.503 176 HE2 TYR 21 HE2 TYR 21 8.632 -4.766 -12.741 177 HH TYR 21 HH TYR 21 7.600 -5.518 -10.304 178 H VAL 22 H VAL 22 7.338 -3.794 -17.123 179 HA VAL 22 HA VAL 22 6.742 -2.103 -14.859 180 HB VAL 22 HB VAL 22 8.954 -1.910 -16.908 181 HG11 VAL 22 HG11 VAL 22 8.595 0.251 -15.943 182 HG12 VAL 22 HG12 VAL 22 8.508 -0.434 -14.319 183 HG13 VAL 22 HG13 VAL 22 10.035 -0.447 -15.203 184 HG21 VAL 22 HG21 VAL 22 8.848 -3.110 -14.148 185 HG22 VAL 22 HG22 VAL 22 9.195 -3.933 -15.668 186 HG23 VAL 22 HG23 VAL 22 10.349 -2.773 -15.010 187 H LYS 23 H LYS 23 6.113 -2.090 -18.222 188 HA LYS 23 HA LYS 23 6.038 0.639 -18.802 189 HB2 LYS 23 HB2 LYS 23 4.286 -1.579 -19.876 190 HB3 LYS 23 HB3 LYS 23 4.434 0.022 -20.589 191 HG2 LYS 23 HG2 LYS 23 6.836 -1.721 -20.191 192 HG3 LYS 23 HG3 LYS 23 5.791 -1.901 -21.603 193 HD2 LYS 23 HD2 LYS 23 6.141 0.738 -21.698 194 HD3 LYS 23 HD3 LYS 23 7.634 0.305 -20.862 195 HE2 LYS 23 HE2 LYS 23 7.931 -1.440 -22.720 196 HE3 LYS 23 HE3 LYS 23 6.688 -0.536 -23.584 197 HZ1 LYS 23 HZ1 LYS 23 8.257 0.851 -24.254 198 HZ2 LYS 23 HZ2 LYS 23 9.431 0.042 -23.345 199 HZ3 LYS 23 HZ3 LYS 23 8.548 1.307 -22.651 200 H HIS 24 H HIS 24 3.669 -1.444 -17.241 201 HA HIS 24 HA HIS 24 1.609 0.548 -17.182 202 HB2 HIS 24 HB2 HIS 24 0.645 -1.529 -17.051 203 HB3 HIS 24 HB3 HIS 24 1.969 -2.202 -16.104 204 HD1 HIS 24 HD1 HIS 24 -0.556 0.571 -15.405 205 HD2 HIS 24 HD2 HIS 24 0.991 -2.883 -13.690 206 HE1 HIS 24 HE1 HIS 24 -1.688 0.366 -13.169 207 H LEU 25 H LEU 25 4.148 -0.522 -15.011 208 HA LEU 25 HA LEU 25 3.330 0.625 -12.629 209 HB2 LEU 25 HB2 LEU 25 5.965 -0.015 -13.841 210 HB3 LEU 25 HB3 LEU 25 5.945 1.002 -12.401 211 HG LEU 25 HG LEU 25 5.342 -0.711 -11.032 212 HD11 LEU 25 HD11 LEU 25 4.086 -2.726 -11.830 213 HD12 LEU 25 HD12 LEU 25 3.935 -1.932 -13.397 214 HD13 LEU 25 HD13 LEU 25 3.210 -1.201 -11.965 215 HD21 LEU 25 HD21 LEU 25 6.866 -2.334 -11.375 216 HD22 LEU 25 HD22 LEU 25 7.351 -1.314 -12.729 217 HD23 LEU 25 HD23 LEU 25 6.281 -2.690 -13.000 218 H PHE 26 H PHE 26 5.187 2.107 -15.269 219 HA PHE 26 HA PHE 26 5.752 4.564 -14.207 220 HB2 PHE 26 HB2 PHE 26 4.830 3.995 -17.032 221 HB3 PHE 26 HB3 PHE 26 5.680 5.446 -16.510 222 HD1 PHE 26 HD1 PHE 26 6.137 2.564 -18.236 223 HD2 PHE 26 HD2 PHE 26 7.879 4.702 -14.993 224 HE1 PHE 26 HE1 PHE 26 8.288 1.446 -18.658 225 HE2 PHE 26 HE2 PHE 26 10.032 3.588 -15.411 226 HZ PHE 26 HZ PHE 26 10.240 1.958 -17.245 227 H ASP 27 H ASP 27 2.664 3.358 -15.304 228 HA ASP 27 HA ASP 27 1.187 5.645 -15.644 229 HB2 ASP 27 HB2 ASP 27 0.378 3.281 -15.921 230 HB3 ASP 27 HB3 ASP 27 0.199 3.197 -14.171 231 H ILE 28 H ILE 28 1.763 3.946 -12.568 232 HA ILE 28 HA ILE 28 0.725 6.277 -11.126 233 HB ILE 28 HB ILE 28 0.509 4.911 -9.207 234 HG12 ILE 28 HG12 ILE 28 2.165 2.865 -10.696 235 HG13 ILE 28 HG13 ILE 28 2.643 3.765 -9.261 236 HG21 ILE 28 HG21 ILE 28 -0.219 2.865 -11.229 237 HG22 ILE 28 HG22 ILE 28 -1.165 3.529 -9.898 238 HG23 ILE 28 HG23 ILE 28 -0.944 4.465 -11.376 239 HD11 ILE 28 HD11 ILE 28 0.398 1.767 -9.377 240 HD12 ILE 28 HD12 ILE 28 2.023 1.446 -8.769 241 HD13 ILE 28 HD13 ILE 28 0.986 2.610 -7.944 242 H GLY 29 H GLY 29 3.645 4.478 -11.734 243 HA2 GLY 29 HA2 GLY 29 5.786 5.517 -11.537 244 HA3 GLY 29 HA3 GLY 29 5.141 6.526 -10.251 245 H GLU 30 H GLU 30 4.474 3.119 -10.292 246 HA GLU 30 HA GLU 30 5.385 2.678 -7.697 247 HB2 GLU 30 HB2 GLU 30 4.100 1.179 -9.682 248 HB3 GLU 30 HB3 GLU 30 5.562 0.277 -9.305 249 HG2 GLU 30 HG2 GLU 30 3.843 1.274 -7.085 250 HG3 GLU 30 HG3 GLU 30 3.358 -0.159 -7.989 251 H ILE 31 H ILE 31 6.890 1.318 -10.631 252 HA ILE 31 HA ILE 31 9.484 1.456 -9.243 253 HB ILE 31 HB ILE 31 8.464 -0.453 -11.335 254 HG12 ILE 31 HG12 ILE 31 9.463 -2.068 -9.571 255 HG13 ILE 31 HG13 ILE 31 9.455 -0.669 -8.503 256 HG21 ILE 31 HG21 ILE 31 11.305 0.078 -10.503 257 HG22 ILE 31 HG22 ILE 31 10.791 -1.421 -11.275 258 HG23 ILE 31 HG23 ILE 31 10.622 0.113 -12.128 259 HD11 ILE 31 HD11 ILE 31 7.394 -2.440 -8.874 260 HD12 ILE 31 HD12 ILE 31 7.270 -0.839 -8.144 261 HD13 ILE 31 HD13 ILE 31 6.918 -1.057 -9.858 262 H THR 32 H THR 32 11.214 2.411 -10.214 263 HA THR 32 HA THR 32 10.633 4.123 -12.489 264 HB THR 32 HB THR 32 12.714 5.234 -12.018 265 HG1 THR 32 HG1 THR 32 13.901 4.302 -10.073 266 HG21 THR 32 HG21 THR 32 10.806 5.774 -10.554 267 HG22 THR 32 HG22 THR 32 12.350 5.964 -9.724 268 HG23 THR 32 HG23 THR 32 11.350 4.545 -9.413 269 H LYS 33 H LYS 33 12.274 4.346 -14.230 270 HA LYS 33 HA LYS 33 12.626 1.981 -15.635 271 HB2 LYS 33 HB2 LYS 33 13.940 4.677 -15.848 272 HB3 LYS 33 HB3 LYS 33 14.389 3.362 -16.926 273 HG2 LYS 33 HG2 LYS 33 12.791 4.324 -18.205 274 HG3 LYS 33 HG3 LYS 33 11.757 3.252 -17.259 275 HD2 LYS 33 HD2 LYS 33 10.805 5.486 -17.347 276 HD3 LYS 33 HD3 LYS 33 11.299 5.095 -15.698 277 HE2 LYS 33 HE2 LYS 33 12.706 6.820 -15.638 278 HE3 LYS 33 HE3 LYS 33 13.455 6.336 -17.158 279 HZ1 LYS 33 HZ1 LYS 33 12.516 8.118 -18.050 280 HZ2 LYS 33 HZ2 LYS 33 11.605 8.432 -16.660 281 HZ3 LYS 33 HZ3 LYS 33 11.006 7.383 -17.845 282 H GLU 34 H GLU 34 14.669 3.488 -13.247 283 HA GLU 34 HA GLU 34 17.127 2.365 -13.719 284 HB2 GLU 34 HB2 GLU 34 17.058 3.847 -11.926 285 HB3 GLU 34 HB3 GLU 34 15.671 3.054 -11.193 286 HG2 GLU 34 HG2 GLU 34 16.936 1.553 -10.089 287 HG3 GLU 34 HG3 GLU 34 18.125 1.438 -11.385 288 H LEU 35 H LEU 35 14.270 0.843 -12.357 289 HA LEU 35 HA LEU 35 15.652 -1.596 -11.684 290 HB2 LEU 35 HB2 LEU 35 13.182 -0.405 -11.043 291 HB3 LEU 35 HB3 LEU 35 12.810 -1.921 -11.860 292 HG LEU 35 HG LEU 35 14.352 -3.045 -10.195 293 HD11 LEU 35 HD11 LEU 35 15.637 -1.305 -9.313 294 HD12 LEU 35 HD12 LEU 35 14.510 -1.712 -8.020 295 HD13 LEU 35 HD13 LEU 35 14.226 -0.288 -9.020 296 HD21 LEU 35 HD21 LEU 35 11.750 -2.770 -10.145 297 HD22 LEU 35 HD22 LEU 35 12.089 -1.744 -8.751 298 HD23 LEU 35 HD23 LEU 35 12.606 -3.431 -8.752 299 H TYR 36 H TYR 36 13.256 -0.616 -14.124 300 HA TYR 36 HA TYR 36 12.945 -3.016 -15.448 301 HB2 TYR 36 HB2 TYR 36 11.506 -1.346 -16.176 302 HB3 TYR 36 HB3 TYR 36 12.795 -0.156 -16.325 303 HD1 TYR 36 HD1 TYR 36 14.141 -0.025 -18.331 304 HD2 TYR 36 HD2 TYR 36 11.101 -2.978 -17.947 305 HE1 TYR 36 HE1 TYR 36 14.281 -0.474 -20.745 306 HE2 TYR 36 HE2 TYR 36 11.234 -3.436 -20.360 307 HH TYR 36 HH TYR 36 13.738 -2.078 -22.354 308 H ILE 37 H ILE 37 15.518 -0.630 -15.766 309 HA ILE 37 HA ILE 37 16.789 -2.034 -17.943 310 HB ILE 37 HB ILE 37 17.604 0.344 -16.286 311 HG12 ILE 37 HG12 ILE 37 17.593 0.809 -19.092 312 HG13 ILE 37 HG13 ILE 37 16.106 -0.043 -18.691 313 HG21 ILE 37 HG21 ILE 37 19.653 -0.769 -16.732 314 HG22 ILE 37 HG22 ILE 37 19.179 -1.112 -18.396 315 HG23 ILE 37 HG23 ILE 37 19.521 0.546 -17.901 316 HD11 ILE 37 HD11 ILE 37 15.247 1.715 -17.598 317 HD12 ILE 37 HD12 ILE 37 16.800 2.178 -16.902 318 HD13 ILE 37 HD13 ILE 37 16.408 2.626 -18.561 319 H GLU 38 H GLU 38 17.644 -1.344 -14.550 320 HA GLU 38 HA GLU 38 19.994 -2.774 -14.388 321 HB2 GLU 38 HB2 GLU 38 19.234 -1.370 -12.568 322 HB3 GLU 38 HB3 GLU 38 17.851 -2.418 -12.288 323 HG2 GLU 38 HG2 GLU 38 19.045 -3.903 -11.109 324 HG3 GLU 38 HG3 GLU 38 20.461 -3.749 -12.148 325 H LEU 39 H LEU 39 16.768 -3.995 -13.468 326 HA LEU 39 HA LEU 39 17.537 -6.645 -13.046 327 HB2 LEU 39 HB2 LEU 39 14.948 -5.306 -13.692 328 HB3 LEU 39 HB3 LEU 39 15.037 -7.066 -13.679 329 HG LEU 39 HG LEU 39 15.710 -7.029 -11.337 330 HD11 LEU 39 HD11 LEU 39 16.936 -4.977 -11.227 331 HD12 LEU 39 HD12 LEU 39 15.593 -4.881 -10.089 332 HD13 LEU 39 HD13 LEU 39 15.500 -4.039 -11.635 333 HD21 LEU 39 HD21 LEU 39 13.272 -5.312 -11.779 334 HD22 LEU 39 HD22 LEU 39 13.612 -6.341 -10.387 335 HD23 LEU 39 HD23 LEU 39 13.310 -7.065 -11.968 336 H SER 40 H SER 40 16.599 -4.960 -15.982 337 HA SER 40 HA SER 40 16.232 -7.172 -17.658 338 HB2 SER 40 HB2 SER 40 15.533 -5.303 -18.759 339 HB3 SER 40 HB3 SER 40 16.774 -4.283 -18.030 340 HG SER 40 HG SER 40 17.174 -6.162 -20.123 341 H SER 41 H SER 41 19.148 -5.256 -16.992 342 HA SER 41 HA SER 41 20.822 -6.827 -18.690 343 HB2 SER 41 HB2 SER 41 21.412 -4.790 -16.540 344 HB3 SER 41 HB3 SER 41 22.681 -5.605 -17.454 345 HG SER 41 HG SER 41 21.734 -3.462 -18.215 346 H ASP 42 H ASP 42 20.255 -8.956 -17.906 347 HA ASP 42 HA ASP 42 21.804 -9.685 -15.510 348 HB2 ASP 42 HB2 ASP 42 19.035 -9.872 -15.754 349 HB3 ASP 42 HB3 ASP 42 19.607 -11.511 -16.053 350 H LEU 43 H LEU 43 22.890 -11.659 -15.574 351 HA LEU 43 HA LEU 43 23.690 -12.511 -18.184 352 HB2 LEU 43 HB2 LEU 43 24.567 -12.879 -15.447 353 HB3 LEU 43 HB3 LEU 43 24.649 -14.380 -16.367 354 HG LEU 43 HG LEU 43 25.963 -11.792 -17.190 355 HD11 LEU 43 HD11 LEU 43 27.991 -12.603 -16.352 356 HD12 LEU 43 HD12 LEU 43 27.352 -14.230 -16.127 357 HD13 LEU 43 HD13 LEU 43 26.824 -12.922 -15.068 358 HD21 LEU 43 HD21 LEU 43 25.271 -13.623 -18.902 359 HD22 LEU 43 HD22 LEU 43 26.632 -14.516 -18.224 360 HD23 LEU 43 HD23 LEU 43 26.894 -12.937 -18.966 Start of MODEL 8 1 H1 MET 1 H MET 1 5.243 2.929 -4.504 2 HA MET 1 HA MET 1 5.044 1.724 -2.442 3 HB2 MET 1 HB2 MET 1 2.171 2.280 -3.005 4 HB3 MET 1 HB3 MET 1 2.564 0.842 -2.072 5 HG2 MET 1 HG2 MET 1 4.065 2.660 -0.782 6 HG3 MET 1 HG3 MET 1 2.747 3.686 -1.343 7 HE1 MET 1 HE1 MET 1 1.002 3.494 1.875 8 HE2 MET 1 HE2 MET 1 2.762 3.610 1.894 9 HE3 MET 1 HE3 MET 1 1.838 4.419 0.627 10 H ASN 2 H ASN 2 4.254 -0.635 -2.106 11 HA ASN 2 HA ASN 2 4.456 -2.785 -2.832 12 HB2 ASN 2 HB2 ASN 2 2.801 -1.707 -5.125 13 HB3 ASN 2 HB3 ASN 2 3.013 -3.411 -4.734 14 HD21 ASN 2 HD21 ASN 2 1.326 -0.528 -4.046 15 HD22 ASN 2 HD22 ASN 2 0.304 -1.152 -2.800 16 H LYS 3 H LYS 3 6.738 -2.563 -3.154 17 HA LYS 3 HA LYS 3 7.498 -2.600 -6.002 18 HB2 LYS 3 HB2 LYS 3 9.768 -1.781 -5.155 19 HB3 LYS 3 HB3 LYS 3 8.453 -0.613 -5.179 20 HG2 LYS 3 HG2 LYS 3 8.546 -1.990 -2.653 21 HG3 LYS 3 HG3 LYS 3 10.106 -1.257 -3.033 22 HD2 LYS 3 HD2 LYS 3 8.772 0.852 -3.597 23 HD3 LYS 3 HD3 LYS 3 7.421 0.070 -2.772 24 HE2 LYS 3 HE2 LYS 3 8.469 1.421 -1.148 25 HE3 LYS 3 HE3 LYS 3 8.982 -0.229 -0.799 26 HZ1 LYS 3 HZ1 LYS 3 10.933 0.536 -2.418 27 HZ2 LYS 3 HZ2 LYS 3 10.994 0.753 -0.742 28 HZ3 LYS 3 HZ3 LYS 3 10.540 2.037 -1.745 29 H GLU 4 H GLU 4 8.062 -3.883 -2.774 30 HA GLU 4 HA GLU 4 9.973 -5.838 -3.701 31 HB2 GLU 4 HB2 GLU 4 8.621 -5.414 -1.035 32 HB3 GLU 4 HB3 GLU 4 9.780 -6.701 -1.341 33 HG2 GLU 4 HG2 GLU 4 11.505 -5.081 -1.827 34 HG3 GLU 4 HG3 GLU 4 10.353 -3.761 -1.635 35 H HIS 5 H HIS 5 6.590 -5.797 -2.674 36 HA HIS 5 HA HIS 5 6.242 -8.625 -2.944 37 HB2 HIS 5 HB2 HIS 5 4.861 -7.184 -1.439 38 HB3 HIS 5 HB3 HIS 5 4.117 -6.474 -2.868 39 HD1 HIS 5 HD1 HIS 5 1.845 -7.422 -1.849 40 HD2 HIS 5 HD2 HIS 5 4.580 -10.275 -3.128 41 HE1 HIS 5 HE1 HIS 5 0.543 -9.565 -2.035 42 H ILE 6 H ILE 6 5.502 -5.804 -4.946 43 HA ILE 6 HA ILE 6 4.056 -7.069 -6.963 44 HB ILE 6 HB ILE 6 4.417 -4.578 -6.670 45 HG12 ILE 6 HG12 ILE 6 4.763 -5.812 -9.411 46 HG13 ILE 6 HG13 ILE 6 3.239 -5.466 -8.601 47 HG21 ILE 6 HG21 ILE 6 6.770 -4.806 -8.473 48 HG22 ILE 6 HG22 ILE 6 6.333 -3.528 -7.340 49 HG23 ILE 6 HG23 ILE 6 7.011 -5.043 -6.742 50 HD11 ILE 6 HD11 ILE 6 4.721 -3.060 -8.708 51 HD12 ILE 6 HD12 ILE 6 4.759 -3.799 -10.309 52 HD13 ILE 6 HD13 ILE 6 3.214 -3.465 -9.528 53 H LEU 7 H LEU 7 7.499 -6.940 -6.371 54 HA LEU 7 HA LEU 7 8.557 -7.636 -8.812 55 HB2 LEU 7 HB2 LEU 7 9.960 -7.136 -6.929 56 HB3 LEU 7 HB3 LEU 7 9.368 -8.549 -6.059 57 HG LEU 7 HG LEU 7 10.428 -9.647 -8.345 58 HD11 LEU 7 HD11 LEU 7 11.426 -7.083 -8.336 59 HD12 LEU 7 HD12 LEU 7 12.133 -8.470 -9.164 60 HD13 LEU 7 HD13 LEU 7 12.704 -8.017 -7.558 61 HD21 LEU 7 HD21 LEU 7 11.091 -9.449 -5.511 62 HD22 LEU 7 HD22 LEU 7 12.489 -9.771 -6.538 63 HD23 LEU 7 HD23 LEU 7 11.094 -10.850 -6.583 64 H ALA 8 H ALA 8 6.967 -9.706 -6.447 65 HA ALA 8 HA ALA 8 7.578 -12.212 -7.419 66 HB1 ALA 8 HB1 ALA 8 6.306 -11.811 -5.363 67 HB2 ALA 8 HB2 ALA 8 4.913 -11.318 -6.327 68 HB3 ALA 8 HB3 ALA 8 5.502 -12.978 -6.413 69 H GLN 9 H GLN 9 5.331 -9.844 -8.694 70 HA GLN 9 HA GLN 9 3.916 -11.510 -10.458 71 HB2 GLN 9 HB2 GLN 9 4.568 -8.587 -10.857 72 HB3 GLN 9 HB3 GLN 9 3.239 -9.479 -11.586 73 HG2 GLN 9 HG2 GLN 9 3.576 -8.887 -8.654 74 HG3 GLN 9 HG3 GLN 9 2.467 -8.078 -9.761 75 HE21 GLN 9 HE21 GLN 9 3.057 -10.858 -7.830 76 HE22 GLN 9 HE22 GLN 9 1.531 -11.628 -8.081 77 H LYS 10 H LYS 10 6.705 -9.381 -11.086 78 HA LYS 10 HA LYS 10 7.064 -10.277 -13.757 79 HB2 LYS 10 HB2 LYS 10 9.158 -9.041 -13.695 80 HB3 LYS 10 HB3 LYS 10 7.876 -8.092 -12.954 81 HG2 LYS 10 HG2 LYS 10 8.813 -8.174 -10.895 82 HG3 LYS 10 HG3 LYS 10 9.501 -9.779 -11.149 83 HD2 LYS 10 HD2 LYS 10 11.377 -8.411 -11.110 84 HD3 LYS 10 HD3 LYS 10 11.056 -8.587 -12.837 85 HE2 LYS 10 HE2 LYS 10 11.554 -6.270 -12.278 86 HE3 LYS 10 HE3 LYS 10 9.891 -6.437 -12.839 87 HZ1 LYS 10 HZ1 LYS 10 10.503 -6.516 -9.957 88 HZ2 LYS 10 HZ2 LYS 10 9.056 -6.100 -10.727 89 HZ3 LYS 10 HZ3 LYS 10 10.366 -5.031 -10.758 90 H GLU 11 H GLU 11 7.709 -11.738 -10.802 91 HA GLU 11 HA GLU 11 9.988 -13.278 -11.763 92 HB2 GLU 11 HB2 GLU 11 8.746 -12.736 -9.150 93 HB3 GLU 11 HB3 GLU 11 9.326 -14.383 -9.354 94 HG2 GLU 11 HG2 GLU 11 11.366 -12.734 -10.324 95 HG3 GLU 11 HG3 GLU 11 10.801 -11.983 -8.833 96 H VAL 12 H VAL 12 6.565 -13.547 -11.399 97 HA VAL 12 HA VAL 12 6.599 -16.446 -11.725 98 HB VAL 12 HB VAL 12 4.144 -16.297 -11.529 99 HG11 VAL 12 HG11 VAL 12 6.073 -15.551 -9.509 100 HG12 VAL 12 HG12 VAL 12 4.481 -14.870 -9.167 101 HG13 VAL 12 HG13 VAL 12 4.668 -16.610 -9.389 102 HG21 VAL 12 HG21 VAL 12 4.260 -13.845 -12.487 103 HG22 VAL 12 HG22 VAL 12 2.963 -14.339 -11.399 104 HG23 VAL 12 HG23 VAL 12 4.335 -13.423 -10.776 105 H LEU 13 H LEU 13 7.367 -14.347 -13.821 106 HA LEU 13 HA LEU 13 5.818 -15.566 -15.989 107 HB2 LEU 13 HB2 LEU 13 5.878 -13.277 -17.119 108 HB3 LEU 13 HB3 LEU 13 4.697 -13.536 -15.837 109 HG LEU 13 HG LEU 13 6.531 -12.432 -14.330 110 HD11 LEU 13 HD11 LEU 13 7.406 -11.792 -17.103 111 HD12 LEU 13 HD12 LEU 13 8.367 -12.118 -15.661 112 HD13 LEU 13 HD13 LEU 13 7.562 -10.560 -15.850 113 HD21 LEU 13 HD21 LEU 13 5.599 -10.155 -15.075 114 HD22 LEU 13 HD22 LEU 13 4.463 -11.371 -14.488 115 HD23 LEU 13 HD23 LEU 13 4.634 -11.086 -16.221 116 H THR 14 H THR 14 6.857 -15.004 -18.167 117 HA THR 14 HA THR 14 9.542 -15.885 -18.122 118 HB THR 14 HB THR 14 9.285 -14.877 -20.637 119 HG1 THR 14 HG1 THR 14 7.136 -15.047 -21.248 120 HG21 THR 14 HG21 THR 14 7.934 -17.452 -19.889 121 HG22 THR 14 HG22 THR 14 9.682 -17.262 -19.754 122 HG23 THR 14 HG23 THR 14 8.894 -17.081 -21.321 123 HA PRO 15 HA PRO 15 11.955 -12.224 -17.954 124 HB2 PRO 15 HB2 PRO 15 13.866 -12.663 -19.831 125 HB3 PRO 15 HB3 PRO 15 13.815 -13.531 -18.292 126 HG2 PRO 15 HG2 PRO 15 12.868 -14.407 -20.994 127 HG3 PRO 15 HG3 PRO 15 13.767 -15.325 -19.771 128 HD2 PRO 15 HD2 PRO 15 11.095 -15.594 -20.122 129 HD3 PRO 15 HD3 PRO 15 11.873 -15.777 -18.537 130 H ILE 16 H ILE 16 10.859 -13.173 -21.166 131 HA ILE 16 HA ILE 16 11.394 -10.652 -22.395 132 HB ILE 16 HB ILE 16 9.893 -13.106 -23.194 133 HG12 ILE 16 HG12 ILE 16 11.654 -11.814 -25.123 134 HG13 ILE 16 HG13 ILE 16 12.464 -12.127 -23.593 135 HG21 ILE 16 HG21 ILE 16 8.347 -11.486 -23.933 136 HG22 ILE 16 HG22 ILE 16 9.626 -10.400 -24.473 137 HG23 ILE 16 HG23 ILE 16 9.316 -11.900 -25.347 138 HD11 ILE 16 HD11 ILE 16 12.479 -14.345 -23.912 139 HD12 ILE 16 HD12 ILE 16 10.879 -14.358 -24.653 140 HD13 ILE 16 HD13 ILE 16 12.289 -13.899 -25.608 141 H GLU 17 H GLU 17 8.645 -12.079 -20.749 142 HA GLU 17 HA GLU 17 6.812 -10.002 -21.504 143 HB2 GLU 17 HB2 GLU 17 5.823 -12.097 -21.039 144 HB3 GLU 17 HB3 GLU 17 6.699 -12.265 -19.524 145 HG2 GLU 17 HG2 GLU 17 5.321 -10.766 -18.412 146 HG3 GLU 17 HG3 GLU 17 4.730 -10.049 -19.910 147 H TYR 18 H TYR 18 8.861 -10.702 -18.732 148 HA TYR 18 HA TYR 18 7.856 -8.861 -16.909 149 HB2 TYR 18 HB2 TYR 18 9.446 -9.959 -15.768 150 HB3 TYR 18 HB3 TYR 18 10.303 -10.398 -17.241 151 HD1 TYR 18 HD1 TYR 18 12.372 -9.436 -17.707 152 HD2 TYR 18 HD2 TYR 18 9.798 -7.548 -14.894 153 HE1 TYR 18 HE1 TYR 18 14.164 -7.849 -17.142 154 HE2 TYR 18 HE2 TYR 18 11.582 -5.955 -14.322 155 HH TYR 18 HH TYR 18 13.754 -5.046 -15.714 156 H GLU 19 H GLU 19 10.115 -8.411 -19.577 157 HA GLU 19 HA GLU 19 11.039 -5.859 -19.025 158 HB2 GLU 19 HB2 GLU 19 11.950 -7.184 -20.841 159 HB3 GLU 19 HB3 GLU 19 10.418 -7.118 -21.701 160 HG2 GLU 19 HG2 GLU 19 11.151 -4.457 -21.212 161 HG3 GLU 19 HG3 GLU 19 12.610 -5.282 -21.755 162 H HIS 20 H HIS 20 7.983 -6.885 -20.418 163 HA HIS 20 HA HIS 20 7.163 -4.155 -20.965 164 HB2 HIS 20 HB2 HIS 20 6.075 -6.865 -21.526 165 HB3 HIS 20 HB3 HIS 20 4.917 -5.543 -21.403 166 HD1 HIS 20 HD1 HIS 20 5.182 -3.592 -23.165 167 HD2 HIS 20 HD2 HIS 20 7.541 -6.941 -23.857 168 HE1 HIS 20 HE1 HIS 20 5.973 -3.377 -25.542 169 H TYR 21 H TYR 21 6.816 -6.541 -18.484 170 HA TYR 21 HA TYR 21 4.467 -5.742 -17.238 171 HB2 TYR 21 HB2 TYR 21 5.195 -7.589 -16.159 172 HB3 TYR 21 HB3 TYR 21 6.889 -7.214 -16.456 173 HD1 TYR 21 HD1 TYR 21 4.095 -6.874 -14.134 174 HD2 TYR 21 HD2 TYR 21 8.146 -5.815 -14.887 175 HE1 TYR 21 HE1 TYR 21 4.348 -6.193 -11.784 176 HE2 TYR 21 HE2 TYR 21 8.411 -5.133 -12.539 177 HH TYR 21 HH TYR 21 7.027 -5.915 -10.228 178 H VAL 22 H VAL 22 7.645 -4.290 -17.197 179 HA VAL 22 HA VAL 22 6.957 -2.435 -15.077 180 HB VAL 22 HB VAL 22 9.419 -2.672 -16.808 181 HG11 VAL 22 HG11 VAL 22 8.525 -0.546 -14.991 182 HG12 VAL 22 HG12 VAL 22 10.168 -1.124 -14.711 183 HG13 VAL 22 HG13 VAL 22 9.709 -0.502 -16.296 184 HG21 VAL 22 HG21 VAL 22 8.698 -3.547 -14.040 185 HG22 VAL 22 HG22 VAL 22 9.488 -4.455 -15.329 186 HG23 VAL 22 HG23 VAL 22 10.378 -3.206 -14.457 187 H LYS 23 H LYS 23 6.849 -2.572 -18.512 188 HA LYS 23 HA LYS 23 7.023 0.164 -19.136 189 HB2 LYS 23 HB2 LYS 23 6.126 -2.290 -20.482 190 HB3 LYS 23 HB3 LYS 23 5.320 -0.829 -21.038 191 HG2 LYS 23 HG2 LYS 23 7.301 -1.387 -22.375 192 HG3 LYS 23 HG3 LYS 23 7.440 0.185 -21.584 193 HD2 LYS 23 HD2 LYS 23 9.217 -0.461 -20.384 194 HD3 LYS 23 HD3 LYS 23 8.479 -2.010 -19.967 195 HE2 LYS 23 HE2 LYS 23 9.320 -3.061 -21.847 196 HE3 LYS 23 HE3 LYS 23 9.508 -1.550 -22.735 197 HZ1 LYS 23 HZ1 LYS 23 11.316 -0.976 -21.162 198 HZ2 LYS 23 HZ2 LYS 23 11.655 -2.331 -22.115 199 HZ3 LYS 23 HZ3 LYS 23 11.196 -2.528 -20.499 200 H HIS 24 H HIS 24 4.332 -1.855 -18.106 201 HA HIS 24 HA HIS 24 2.344 0.166 -18.529 202 HB2 HIS 24 HB2 HIS 24 1.301 -1.863 -18.565 203 HB3 HIS 24 HB3 HIS 24 2.417 -2.578 -17.405 204 HD1 HIS 24 HD1 HIS 24 -0.166 0.220 -17.164 205 HD2 HIS 24 HD2 HIS 24 1.044 -3.227 -15.183 206 HE1 HIS 24 HE1 HIS 24 -1.676 0.029 -15.162 207 H LEU 25 H LEU 25 4.317 -0.908 -15.832 208 HA LEU 25 HA LEU 25 3.028 0.287 -13.703 209 HB2 LEU 25 HB2 LEU 25 5.862 -0.365 -14.315 210 HB3 LEU 25 HB3 LEU 25 5.530 0.658 -12.919 211 HG LEU 25 HG LEU 25 4.627 -1.048 -11.710 212 HD11 LEU 25 HD11 LEU 25 3.592 -3.070 -12.742 213 HD12 LEU 25 HD12 LEU 25 3.827 -2.319 -14.320 214 HD13 LEU 25 HD13 LEU 25 2.776 -1.555 -13.128 215 HD21 LEU 25 HD21 LEU 25 6.261 -2.575 -11.654 216 HD22 LEU 25 HD22 LEU 25 6.965 -1.664 -12.991 217 HD23 LEU 25 HD23 LEU 25 5.970 -3.084 -13.318 218 H PHE 26 H PHE 26 5.395 1.727 -15.923 219 HA PHE 26 HA PHE 26 5.762 4.193 -14.805 220 HB2 PHE 26 HB2 PHE 26 5.378 3.606 -17.749 221 HB3 PHE 26 HB3 PHE 26 6.139 5.048 -17.086 222 HD1 PHE 26 HD1 PHE 26 6.820 2.060 -18.608 223 HD2 PHE 26 HD2 PHE 26 8.048 4.371 -15.251 224 HE1 PHE 26 HE1 PHE 26 8.994 0.908 -18.615 225 HE2 PHE 26 HE2 PHE 26 10.224 3.223 -15.253 226 HZ PHE 26 HZ PHE 26 10.700 1.490 -16.937 227 H ASP 27 H ASP 27 2.926 2.996 -16.454 228 HA ASP 27 HA ASP 27 1.557 5.287 -17.088 229 HB2 ASP 27 HB2 ASP 27 0.782 2.943 -17.503 230 HB3 ASP 27 HB3 ASP 27 0.309 2.848 -15.809 231 H ILE 28 H ILE 28 1.542 3.626 -13.939 232 HA ILE 28 HA ILE 28 0.269 5.979 -12.743 233 HB ILE 28 HB ILE 28 -0.309 4.638 -10.880 234 HG12 ILE 28 HG12 ILE 28 1.573 2.564 -12.021 235 HG13 ILE 28 HG13 ILE 28 1.786 3.473 -10.529 236 HG21 ILE 28 HG21 ILE 28 -0.675 2.574 -12.980 237 HG22 ILE 28 HG22 ILE 28 -1.843 3.266 -11.855 238 HG23 ILE 28 HG23 ILE 28 -1.341 4.180 -13.277 239 HD11 ILE 28 HD11 ILE 28 -0.423 1.497 -11.041 240 HD12 ILE 28 HD12 ILE 28 1.061 1.160 -10.149 241 HD13 ILE 28 HD13 ILE 28 -0.091 2.342 -9.529 242 H GLY 29 H GLY 29 3.236 4.154 -12.773 243 HA2 GLY 29 HA2 GLY 29 5.309 5.198 -12.195 244 HA3 GLY 29 HA3 GLY 29 4.441 6.208 -11.049 245 H GLU 30 H GLU 30 3.782 2.803 -11.210 246 HA GLU 30 HA GLU 30 4.212 2.365 -8.491 247 HB2 GLU 30 HB2 GLU 30 3.313 0.861 -10.691 248 HB3 GLU 30 HB3 GLU 30 4.645 -0.054 -10.000 249 HG2 GLU 30 HG2 GLU 30 3.579 -0.185 -7.890 250 HG3 GLU 30 HG3 GLU 30 2.353 0.991 -8.364 251 H ILE 31 H ILE 31 6.203 1.014 -11.126 252 HA ILE 31 HA ILE 31 8.507 1.098 -9.294 253 HB ILE 31 HB ILE 31 8.106 -0.673 -11.708 254 HG12 ILE 31 HG12 ILE 31 6.626 -1.250 -9.813 255 HG13 ILE 31 HG13 ILE 31 7.836 -2.493 -10.110 256 HG21 ILE 31 HG21 ILE 31 10.292 -0.640 -9.631 257 HG22 ILE 31 HG22 ILE 31 10.120 -1.824 -10.926 258 HG23 ILE 31 HG23 ILE 31 10.449 -0.135 -11.314 259 HD11 ILE 31 HD11 ILE 31 8.558 -2.339 -8.029 260 HD12 ILE 31 HD12 ILE 31 8.839 -0.607 -8.210 261 HD13 ILE 31 HD13 ILE 31 7.256 -1.195 -7.701 262 H THR 32 H THR 32 10.463 1.920 -9.991 263 HA THR 32 HA THR 32 10.293 3.740 -12.262 264 HB THR 32 HB THR 32 12.286 4.786 -11.417 265 HG1 THR 32 HG1 THR 32 13.279 3.858 -9.483 266 HG21 THR 32 HG21 THR 32 10.414 4.064 -9.159 267 HG22 THR 32 HG22 THR 32 10.239 5.417 -10.276 268 HG23 THR 32 HG23 THR 32 11.577 5.389 -9.127 269 H LYS 33 H LYS 33 12.214 3.956 -13.691 270 HA LYS 33 HA LYS 33 12.744 1.603 -15.070 271 HB2 LYS 33 HB2 LYS 33 14.124 4.275 -15.018 272 HB3 LYS 33 HB3 LYS 33 14.708 2.968 -16.039 273 HG2 LYS 33 HG2 LYS 33 13.352 3.991 -17.532 274 HG3 LYS 33 HG3 LYS 33 12.159 2.927 -16.782 275 HD2 LYS 33 HD2 LYS 33 11.284 5.188 -16.973 276 HD3 LYS 33 HD3 LYS 33 11.497 4.752 -15.276 277 HE2 LYS 33 HE2 LYS 33 12.890 6.454 -14.952 278 HE3 LYS 33 HE3 LYS 33 13.894 5.957 -16.313 279 HZ1 LYS 33 HZ1 LYS 33 13.081 7.595 -17.540 280 HZ2 LYS 33 HZ2 LYS 33 12.298 8.194 -16.166 281 HZ3 LYS 33 HZ3 LYS 33 11.482 7.148 -17.216 282 H GLU 34 H GLU 34 14.410 3.054 -12.369 283 HA GLU 34 HA GLU 34 16.889 1.896 -12.447 284 HB2 GLU 34 HB2 GLU 34 15.141 2.181 -9.996 285 HB3 GLU 34 HB3 GLU 34 16.888 1.984 -9.995 286 HG2 GLU 34 HG2 GLU 34 16.656 4.145 -11.582 287 HG3 GLU 34 HG3 GLU 34 15.249 4.362 -10.544 288 H LEU 35 H LEU 35 13.831 0.389 -11.606 289 HA LEU 35 HA LEU 35 15.066 -2.086 -10.782 290 HB2 LEU 35 HB2 LEU 35 12.525 -0.869 -10.522 291 HB3 LEU 35 HB3 LEU 35 12.291 -2.397 -11.368 292 HG LEU 35 HG LEU 35 13.525 -3.514 -9.486 293 HD11 LEU 35 HD11 LEU 35 14.747 -1.778 -8.488 294 HD12 LEU 35 HD12 LEU 35 13.476 -2.165 -7.329 295 HD13 LEU 35 HD13 LEU 35 13.328 -0.739 -8.356 296 HD21 LEU 35 HD21 LEU 35 10.968 -3.212 -9.771 297 HD22 LEU 35 HD22 LEU 35 11.120 -2.087 -8.421 298 HD23 LEU 35 HD23 LEU 35 11.602 -3.772 -8.223 299 H TYR 36 H TYR 36 13.090 -0.999 -13.531 300 HA TYR 36 HA TYR 36 12.925 -3.358 -14.948 301 HB2 TYR 36 HB2 TYR 36 11.709 -1.842 -16.092 302 HB3 TYR 36 HB3 TYR 36 12.729 -0.501 -15.580 303 HD1 TYR 36 HD1 TYR 36 14.029 0.573 -17.164 304 HD2 TYR 36 HD2 TYR 36 12.778 -3.426 -17.903 305 HE1 TYR 36 HE1 TYR 36 15.017 0.686 -19.414 306 HE2 TYR 36 HE2 TYR 36 13.764 -3.324 -20.154 307 HH TYR 36 HH TYR 36 14.727 -2.021 -21.685 308 H ILE 37 H ILE 37 15.601 -1.091 -14.736 309 HA ILE 37 HA ILE 37 17.151 -2.445 -16.759 310 HB ILE 37 HB ILE 37 17.794 -0.204 -14.852 311 HG12 ILE 37 HG12 ILE 37 18.235 0.436 -17.581 312 HG13 ILE 37 HG13 ILE 37 16.679 -0.382 -17.486 313 HG21 ILE 37 HG21 ILE 37 19.836 -1.404 -15.060 314 HG22 ILE 37 HG22 ILE 37 19.609 -1.612 -16.795 315 HG23 ILE 37 HG23 ILE 37 19.943 -0.011 -16.136 316 HD11 ILE 37 HD11 ILE 37 15.706 1.318 -16.381 317 HD12 ILE 37 HD12 ILE 37 17.166 1.710 -15.472 318 HD13 ILE 37 HD13 ILE 37 16.995 2.250 -17.142 319 H GLU 38 H GLU 38 17.497 -1.950 -13.242 320 HA GLU 38 HA GLU 38 19.714 -3.536 -12.807 321 HB2 GLU 38 HB2 GLU 38 18.684 -2.102 -11.090 322 HB3 GLU 38 HB3 GLU 38 17.324 -3.210 -10.985 323 HG2 GLU 38 HG2 GLU 38 18.422 -4.616 -9.651 324 HG3 GLU 38 HG3 GLU 38 19.901 -4.512 -10.604 325 H LEU 39 H LEU 39 16.316 -4.560 -12.427 326 HA LEU 39 HA LEU 39 16.786 -7.250 -11.952 327 HB2 LEU 39 HB2 LEU 39 14.503 -5.705 -13.075 328 HB3 LEU 39 HB3 LEU 39 14.459 -7.464 -13.170 329 HG LEU 39 HG LEU 39 13.240 -6.465 -11.223 330 HD11 LEU 39 HD11 LEU 39 15.475 -8.430 -10.838 331 HD12 LEU 39 HD12 LEU 39 13.752 -8.743 -11.049 332 HD13 LEU 39 HD13 LEU 39 14.342 -8.036 -9.545 333 HD21 LEU 39 HD21 LEU 39 14.833 -4.659 -10.749 334 HD22 LEU 39 HD22 LEU 39 16.031 -5.855 -10.252 335 HD23 LEU 39 HD23 LEU 39 14.537 -5.666 -9.331 336 H SER 40 H SER 40 16.584 -5.508 -15.003 337 HA SER 40 HA SER 40 16.859 -7.955 -16.545 338 HB2 SER 40 HB2 SER 40 15.398 -6.071 -17.312 339 HB3 SER 40 HB3 SER 40 16.849 -5.093 -17.530 340 HG SER 40 HG SER 40 15.786 -6.766 -19.248 341 H SER 41 H SER 41 18.910 -8.669 -15.875 342 HA SER 41 HA SER 41 21.162 -7.008 -16.800 343 HB2 SER 41 HB2 SER 41 21.138 -7.469 -14.352 344 HB3 SER 41 HB3 SER 41 21.224 -9.195 -14.706 345 HG SER 41 HG SER 41 23.235 -7.588 -14.422 346 H ASP 42 H ASP 42 20.046 -8.283 -18.801 347 HA ASP 42 HA ASP 42 21.739 -10.656 -19.238 348 HB2 ASP 42 HB2 ASP 42 18.894 -10.400 -19.435 349 HB3 ASP 42 HB3 ASP 42 19.547 -10.713 -21.041 350 H LEU 43 H LEU 43 23.298 -10.228 -20.642 351 HA LEU 43 HA LEU 43 22.669 -8.808 -23.105 352 HB2 LEU 43 HB2 LEU 43 23.413 -7.049 -21.599 353 HB3 LEU 43 HB3 LEU 43 24.878 -7.958 -21.236 354 HG LEU 43 HG LEU 43 24.798 -7.597 -24.039 355 HD11 LEU 43 HD11 LEU 43 23.195 -5.790 -23.654 356 HD12 LEU 43 HD12 LEU 43 24.742 -5.173 -24.232 357 HD13 LEU 43 HD13 LEU 43 24.319 -5.033 -22.526 358 HD21 LEU 43 HD21 LEU 43 26.810 -7.816 -22.712 359 HD22 LEU 43 HD22 LEU 43 26.457 -6.303 -21.876 360 HD23 LEU 43 HD23 LEU 43 26.840 -6.292 -23.598 Start of MODEL 9 1 H1 MET 1 H MET 1 2.276 2.713 -3.192 2 HA MET 1 HA MET 1 0.815 1.192 -2.236 3 HB2 MET 1 HB2 MET 1 0.552 1.281 -5.168 4 HB3 MET 1 HB3 MET 1 -0.240 -0.089 -4.401 5 HG2 MET 1 HG2 MET 1 -1.940 1.401 -4.323 6 HG3 MET 1 HG3 MET 1 -1.154 1.796 -2.796 7 HE1 MET 1 HE1 MET 1 0.591 4.901 -3.124 8 HE2 MET 1 HE2 MET 1 -1.061 4.894 -2.505 9 HE3 MET 1 HE3 MET 1 0.004 3.521 -2.195 10 H ASN 2 H ASN 2 2.731 -0.403 -4.774 11 HA ASN 2 HA ASN 2 3.311 -2.591 -2.966 12 HB2 ASN 2 HB2 ASN 2 2.633 -4.245 -4.846 13 HB3 ASN 2 HB3 ASN 2 1.371 -3.582 -3.811 14 HD21 ASN 2 HD21 ASN 2 -0.252 -2.476 -4.708 15 HD22 ASN 2 HD22 ASN 2 -0.359 -2.062 -6.382 16 H LYS 3 H LYS 3 5.468 -2.123 -3.114 17 HA LYS 3 HA LYS 3 6.688 -2.302 -5.789 18 HB2 LYS 3 HB2 LYS 3 8.672 -1.189 -4.618 19 HB3 LYS 3 HB3 LYS 3 7.253 -0.194 -4.916 20 HG2 LYS 3 HG2 LYS 3 6.929 0.176 -2.746 21 HG3 LYS 3 HG3 LYS 3 7.167 -1.523 -2.332 22 HD2 LYS 3 HD2 LYS 3 9.586 -1.216 -2.423 23 HD3 LYS 3 HD3 LYS 3 9.364 0.475 -2.879 24 HE2 LYS 3 HE2 LYS 3 8.614 1.078 -0.777 25 HE3 LYS 3 HE3 LYS 3 8.115 -0.564 -0.371 26 HZ1 LYS 3 HZ1 LYS 3 10.025 -0.735 0.717 27 HZ2 LYS 3 HZ2 LYS 3 10.609 0.724 0.092 28 HZ3 LYS 3 HZ3 LYS 3 10.826 -0.713 -0.773 29 H GLU 4 H GLU 4 6.839 -3.442 -2.467 30 HA GLU 4 HA GLU 4 9.108 -5.153 -2.974 31 HB2 GLU 4 HB2 GLU 4 7.265 -4.870 -0.598 32 HB3 GLU 4 HB3 GLU 4 8.619 -5.990 -0.651 33 HG2 GLU 4 HG2 GLU 4 9.064 -3.090 -1.192 34 HG3 GLU 4 HG3 GLU 4 8.898 -3.667 0.465 35 H HIS 5 H HIS 5 5.617 -5.515 -2.579 36 HA HIS 5 HA HIS 5 5.654 -8.369 -2.761 37 HB2 HIS 5 HB2 HIS 5 3.848 -7.032 -1.640 38 HB3 HIS 5 HB3 HIS 5 3.314 -6.514 -3.237 39 HD1 HIS 5 HD1 HIS 5 1.024 -7.710 -2.561 40 HD2 HIS 5 HD2 HIS 5 4.288 -10.221 -3.112 41 HE1 HIS 5 HE1 HIS 5 0.061 -10.019 -2.814 42 H ILE 6 H ILE 6 4.975 -5.730 -5.022 43 HA ILE 6 HA ILE 6 4.126 -7.235 -7.204 44 HB ILE 6 HB ILE 6 4.144 -4.697 -6.963 45 HG12 ILE 6 HG12 ILE 6 5.085 -5.943 -9.555 46 HG13 ILE 6 HG13 ILE 6 3.417 -5.829 -9.006 47 HG21 ILE 6 HG21 ILE 6 6.781 -4.742 -8.347 48 HG22 ILE 6 HG22 ILE 6 6.019 -3.455 -7.415 49 HG23 ILE 6 HG23 ILE 6 6.737 -4.837 -6.587 50 HD11 ILE 6 HD11 ILE 6 4.619 -3.231 -9.016 51 HD12 ILE 6 HD12 ILE 6 4.828 -4.010 -10.586 52 HD13 ILE 6 HD13 ILE 6 3.213 -3.822 -9.902 53 H LEU 7 H LEU 7 7.343 -6.645 -5.970 54 HA LEU 7 HA LEU 7 8.903 -7.316 -8.158 55 HB2 LEU 7 HB2 LEU 7 9.260 -7.000 -5.351 56 HB3 LEU 7 HB3 LEU 7 10.093 -8.469 -5.857 57 HG LEU 7 HG LEU 7 11.569 -6.504 -5.829 58 HD11 LEU 7 HD11 LEU 7 11.056 -8.188 -8.164 59 HD12 LEU 7 HD12 LEU 7 12.563 -7.852 -7.312 60 HD13 LEU 7 HD13 LEU 7 11.960 -6.716 -8.519 61 HD21 LEU 7 HD21 LEU 7 10.981 -4.537 -6.676 62 HD22 LEU 7 HD22 LEU 7 9.374 -5.205 -6.961 63 HD23 LEU 7 HD23 LEU 7 10.592 -5.260 -8.237 64 H ALA 8 H ALA 8 7.020 -9.358 -6.059 65 HA ALA 8 HA ALA 8 8.245 -11.822 -6.839 66 HB1 ALA 8 HB1 ALA 8 5.710 -11.137 -5.384 67 HB2 ALA 8 HB2 ALA 8 6.124 -12.799 -5.807 68 HB3 ALA 8 HB3 ALA 8 7.185 -11.867 -4.751 69 H GLN 9 H GLN 9 5.571 -9.884 -8.003 70 HA GLN 9 HA GLN 9 4.319 -11.813 -9.618 71 HB2 GLN 9 HB2 GLN 9 4.472 -8.829 -10.076 72 HB3 GLN 9 HB3 GLN 9 3.290 -9.928 -10.775 73 HG2 GLN 9 HG2 GLN 9 3.602 -9.368 -7.835 74 HG3 GLN 9 HG3 GLN 9 2.401 -8.627 -8.890 75 HE21 GLN 9 HE21 GLN 9 2.388 -10.567 -6.513 76 HE22 GLN 9 HE22 GLN 9 1.301 -11.810 -7.020 77 H LYS 10 H LYS 10 6.605 -9.240 -10.561 78 HA LYS 10 HA LYS 10 6.928 -9.985 -13.215 79 HB2 LYS 10 HB2 LYS 10 8.959 -8.685 -13.202 80 HB3 LYS 10 HB3 LYS 10 7.762 -7.873 -12.201 81 HG2 LYS 10 HG2 LYS 10 9.204 -7.835 -10.528 82 HG3 LYS 10 HG3 LYS 10 9.229 -9.600 -10.515 83 HD2 LYS 10 HD2 LYS 10 10.842 -8.322 -12.623 84 HD3 LYS 10 HD3 LYS 10 11.401 -8.053 -10.971 85 HE2 LYS 10 HE2 LYS 10 10.843 -10.739 -12.227 86 HE3 LYS 10 HE3 LYS 10 12.440 -10.033 -11.982 87 HZ1 LYS 10 HZ1 LYS 10 10.518 -10.942 -9.921 88 HZ2 LYS 10 HZ2 LYS 10 11.843 -9.959 -9.552 89 HZ3 LYS 10 HZ3 LYS 10 12.090 -11.501 -10.200 90 H GLU 11 H GLU 11 8.174 -11.443 -10.338 91 HA GLU 11 HA GLU 11 10.349 -12.845 -11.503 92 HB2 GLU 11 HB2 GLU 11 9.641 -12.403 -8.973 93 HB3 GLU 11 HB3 GLU 11 8.908 -13.990 -9.163 94 HG2 GLU 11 HG2 GLU 11 11.195 -14.734 -10.034 95 HG3 GLU 11 HG3 GLU 11 11.797 -13.228 -9.344 96 H VAL 12 H VAL 12 6.928 -13.430 -11.315 97 HA VAL 12 HA VAL 12 7.044 -16.215 -11.958 98 HB VAL 12 HB VAL 12 4.703 -14.344 -12.324 99 HG11 VAL 12 HG11 VAL 12 4.786 -17.325 -11.878 100 HG12 VAL 12 HG12 VAL 12 3.349 -16.338 -12.151 101 HG13 VAL 12 HG13 VAL 12 4.538 -16.542 -13.438 102 HG21 VAL 12 HG21 VAL 12 5.101 -14.047 -10.086 103 HG22 VAL 12 HG22 VAL 12 4.090 -15.491 -10.037 104 HG23 VAL 12 HG23 VAL 12 5.841 -15.636 -9.894 105 H LEU 13 H LEU 13 5.826 -13.438 -13.844 106 HA LEU 13 HA LEU 13 5.558 -14.704 -16.278 107 HB2 LEU 13 HB2 LEU 13 6.486 -11.865 -15.894 108 HB3 LEU 13 HB3 LEU 13 5.662 -12.528 -17.303 109 HG LEU 13 HG LEU 13 3.860 -11.560 -16.367 110 HD11 LEU 13 HD11 LEU 13 3.683 -14.117 -16.072 111 HD12 LEU 13 HD12 LEU 13 2.512 -13.084 -15.255 112 HD13 LEU 13 HD13 LEU 13 3.861 -13.772 -14.351 113 HD21 LEU 13 HD21 LEU 13 4.661 -10.250 -14.687 114 HD22 LEU 13 HD22 LEU 13 5.524 -11.578 -13.909 115 HD23 LEU 13 HD23 LEU 13 3.776 -11.430 -13.720 116 H THR 14 H THR 14 6.862 -14.868 -18.134 117 HA THR 14 HA THR 14 9.440 -15.779 -17.790 118 HB THR 14 HB THR 14 9.550 -14.862 -20.365 119 HG1 THR 14 HG1 THR 14 7.381 -15.147 -21.158 120 HG21 THR 14 HG21 THR 14 8.852 -17.329 -18.996 121 HG22 THR 14 HG22 THR 14 9.825 -17.081 -20.445 122 HG23 THR 14 HG23 THR 14 8.070 -17.196 -20.570 123 HA PRO 15 HA PRO 15 12.179 -12.362 -17.521 124 HB2 PRO 15 HB2 PRO 15 14.208 -13.053 -19.187 125 HB3 PRO 15 HB3 PRO 15 13.927 -13.849 -17.634 126 HG2 PRO 15 HG2 PRO 15 13.161 -14.743 -20.386 127 HG3 PRO 15 HG3 PRO 15 13.846 -15.690 -19.053 128 HD2 PRO 15 HD2 PRO 15 11.207 -15.722 -19.656 129 HD3 PRO 15 HD3 PRO 15 11.809 -15.912 -17.997 130 H ILE 16 H ILE 16 10.985 -13.240 -20.664 131 HA ILE 16 HA ILE 16 11.937 -10.792 -21.908 132 HB ILE 16 HB ILE 16 10.466 -13.204 -22.900 133 HG12 ILE 16 HG12 ILE 16 12.950 -13.142 -22.844 134 HG13 ILE 16 HG13 ILE 16 12.309 -13.312 -24.474 135 HG21 ILE 16 HG21 ILE 16 9.179 -11.496 -23.900 136 HG22 ILE 16 HG22 ILE 16 10.606 -10.517 -24.240 137 HG23 ILE 16 HG23 ILE 16 10.333 -12.016 -25.129 138 HD11 ILE 16 HD11 ILE 16 14.161 -11.445 -23.568 139 HD12 ILE 16 HD12 ILE 16 13.356 -11.482 -25.137 140 HD13 ILE 16 HD13 ILE 16 12.668 -10.539 -23.815 141 H GLU 17 H GLU 17 8.984 -12.137 -20.596 142 HA GLU 17 HA GLU 17 7.324 -10.006 -21.611 143 HB2 GLU 17 HB2 GLU 17 6.784 -12.235 -19.645 144 HB3 GLU 17 HB3 GLU 17 5.573 -11.068 -20.157 145 HG2 GLU 17 HG2 GLU 17 6.868 -13.255 -21.719 146 HG3 GLU 17 HG3 GLU 17 5.157 -12.881 -21.520 147 H TYR 18 H TYR 18 8.914 -10.843 -18.591 148 HA TYR 18 HA TYR 18 7.681 -9.060 -16.861 149 HB2 TYR 18 HB2 TYR 18 9.136 -10.021 -15.466 150 HB3 TYR 18 HB3 TYR 18 9.995 -10.720 -16.834 151 HD1 TYR 18 HD1 TYR 18 9.795 -7.695 -14.691 152 HD2 TYR 18 HD2 TYR 18 12.146 -9.968 -17.413 153 HE1 TYR 18 HE1 TYR 18 11.741 -6.280 -14.182 154 HE2 TYR 18 HE2 TYR 18 14.099 -8.560 -16.911 155 HH TYR 18 HH TYR 18 13.839 -5.642 -15.082 156 H GLU 19 H GLU 19 10.309 -8.524 -19.153 157 HA GLU 19 HA GLU 19 11.150 -6.006 -18.392 158 HB2 GLU 19 HB2 GLU 19 11.256 -7.623 -20.814 159 HB3 GLU 19 HB3 GLU 19 11.191 -5.902 -21.163 160 HG2 GLU 19 HG2 GLU 19 13.138 -5.516 -19.777 161 HG3 GLU 19 HG3 GLU 19 13.184 -7.222 -19.335 162 H HIS 20 H HIS 20 8.225 -6.955 -20.029 163 HA HIS 20 HA HIS 20 7.518 -4.219 -20.699 164 HB2 HIS 20 HB2 HIS 20 6.124 -6.866 -21.093 165 HB3 HIS 20 HB3 HIS 20 5.368 -5.327 -21.492 166 HD1 HIS 20 HD1 HIS 20 5.824 -4.439 -23.770 167 HD2 HIS 20 HD2 HIS 20 8.588 -7.325 -22.632 168 HE1 HIS 20 HE1 HIS 20 7.247 -4.847 -25.803 169 H TYR 21 H TYR 21 6.895 -6.562 -18.219 170 HA TYR 21 HA TYR 21 4.498 -5.652 -17.162 171 HB2 TYR 21 HB2 TYR 21 4.995 -7.432 -15.894 172 HB3 TYR 21 HB3 TYR 21 6.709 -7.305 -16.273 173 HD1 TYR 21 HD1 TYR 21 4.132 -6.666 -13.817 174 HD2 TYR 21 HD2 TYR 21 8.168 -5.837 -14.877 175 HE1 TYR 21 HE1 TYR 21 4.576 -5.919 -11.517 176 HE2 TYR 21 HE2 TYR 21 8.624 -5.089 -12.579 177 HH TYR 21 HH TYR 21 7.652 -4.469 -10.618 178 H VAL 22 H VAL 22 7.680 -4.266 -16.996 179 HA VAL 22 HA VAL 22 7.041 -2.440 -14.857 180 HB VAL 22 HB VAL 22 9.405 -2.505 -16.738 181 HG11 VAL 22 HG11 VAL 22 8.541 -0.558 -14.748 182 HG12 VAL 22 HG12 VAL 22 10.179 -1.155 -14.475 183 HG13 VAL 22 HG13 VAL 22 9.754 -0.417 -16.020 184 HG21 VAL 22 HG21 VAL 22 8.971 -3.560 -13.954 185 HG22 VAL 22 HG22 VAL 22 9.458 -4.453 -15.395 186 HG23 VAL 22 HG23 VAL 22 10.575 -3.313 -14.645 187 H LYS 23 H LYS 23 6.701 -2.512 -18.269 188 HA LYS 23 HA LYS 23 6.817 0.225 -18.878 189 HB2 LYS 23 HB2 LYS 23 5.153 -1.944 -20.171 190 HB3 LYS 23 HB3 LYS 23 5.472 -0.360 -20.866 191 HG2 LYS 23 HG2 LYS 23 7.743 -2.145 -20.108 192 HG3 LYS 23 HG3 LYS 23 6.873 -2.402 -21.622 193 HD2 LYS 23 HD2 LYS 23 7.275 0.220 -21.838 194 HD3 LYS 23 HD3 LYS 23 8.647 -0.169 -20.798 195 HE2 LYS 23 HE2 LYS 23 9.384 -1.856 -22.412 196 HE3 LYS 23 HE3 LYS 23 8.013 -1.465 -23.448 197 HZ1 LYS 23 HZ1 LYS 23 9.117 0.236 -24.310 198 HZ2 LYS 23 HZ2 LYS 23 10.500 -0.294 -23.492 199 HZ3 LYS 23 HZ3 LYS 23 9.494 0.868 -22.786 200 H HIS 24 H HIS 24 4.064 -1.828 -17.964 201 HA HIS 24 HA HIS 24 2.119 0.215 -18.090 202 HB2 HIS 24 HB2 HIS 24 1.084 -1.822 -18.068 203 HB3 HIS 24 HB3 HIS 24 2.267 -2.532 -16.974 204 HD1 HIS 24 HD1 HIS 24 -0.221 0.324 -16.533 205 HD2 HIS 24 HD2 HIS 24 0.949 -3.230 -14.729 206 HE1 HIS 24 HE1 HIS 24 -1.630 0.127 -14.460 207 H LEU 25 H LEU 25 4.207 -0.946 -15.500 208 HA LEU 25 HA LEU 25 3.079 0.299 -13.312 209 HB2 LEU 25 HB2 LEU 25 5.744 -0.663 -14.053 210 HB3 LEU 25 HB3 LEU 25 5.749 0.604 -12.828 211 HG LEU 25 HG LEU 25 4.406 -0.742 -11.354 212 HD11 LEU 25 HD11 LEU 25 3.556 -2.888 -11.903 213 HD12 LEU 25 HD12 LEU 25 4.414 -2.908 -13.443 214 HD13 LEU 25 HD13 LEU 25 3.067 -1.797 -13.199 215 HD21 LEU 25 HD21 LEU 25 6.171 -2.917 -12.009 216 HD22 LEU 25 HD22 LEU 25 6.225 -1.800 -10.644 217 HD23 LEU 25 HD23 LEU 25 7.006 -1.371 -12.167 218 H PHE 26 H PHE 26 5.391 1.645 -15.644 219 HA PHE 26 HA PHE 26 5.922 4.088 -14.543 220 HB2 PHE 26 HB2 PHE 26 5.401 3.442 -17.451 221 HB3 PHE 26 HB3 PHE 26 6.128 4.942 -16.885 222 HD1 PHE 26 HD1 PHE 26 7.018 2.239 -18.555 223 HD2 PHE 26 HD2 PHE 26 7.989 4.105 -14.855 224 HE1 PHE 26 HE1 PHE 26 9.236 1.175 -18.605 225 HE2 PHE 26 HE2 PHE 26 10.209 3.045 -14.899 226 HZ PHE 26 HZ PHE 26 10.835 1.579 -16.776 227 H ASP 27 H ASP 27 2.964 3.038 -16.092 228 HA ASP 27 HA ASP 27 1.678 5.411 -16.604 229 HB2 ASP 27 HB2 ASP 27 0.851 3.019 -16.990 230 HB3 ASP 27 HB3 ASP 27 0.266 3.073 -15.329 231 H ILE 28 H ILE 28 2.038 3.755 -13.506 232 HA ILE 28 HA ILE 28 0.742 6.036 -12.176 233 HB ILE 28 HB ILE 28 0.293 4.652 -10.311 234 HG12 ILE 28 HG12 ILE 28 2.108 2.614 -11.613 235 HG13 ILE 28 HG13 ILE 28 2.414 3.498 -10.121 236 HG21 ILE 28 HG21 ILE 28 -0.197 2.626 -12.421 237 HG22 ILE 28 HG22 ILE 28 -1.294 3.290 -11.212 238 HG23 ILE 28 HG23 ILE 28 -0.889 4.232 -12.646 239 HD11 ILE 28 HD11 ILE 28 0.193 1.510 -10.525 240 HD12 ILE 28 HD12 ILE 28 1.732 1.177 -9.731 241 HD13 ILE 28 HD13 ILE 28 0.607 2.337 -9.024 242 H GLY 29 H GLY 29 3.707 4.234 -12.459 243 HA2 GLY 29 HA2 GLY 29 5.828 5.164 -11.975 244 HA3 GLY 29 HA3 GLY 29 5.054 6.292 -10.871 245 H GLU 30 H GLU 30 4.297 2.895 -10.781 246 HA GLU 30 HA GLU 30 4.780 2.623 -8.053 247 HB2 GLU 30 HB2 GLU 30 3.704 1.037 -10.032 248 HB3 GLU 30 HB3 GLU 30 5.150 0.149 -9.574 249 HG2 GLU 30 HG2 GLU 30 2.909 1.003 -7.760 250 HG3 GLU 30 HG3 GLU 30 3.281 -0.636 -8.290 251 H ILE 31 H ILE 31 6.730 1.170 -10.666 252 HA ILE 31 HA ILE 31 9.052 1.276 -8.858 253 HB ILE 31 HB ILE 31 8.533 -0.565 -11.195 254 HG12 ILE 31 HG12 ILE 31 7.266 -1.069 -9.116 255 HG13 ILE 31 HG13 ILE 31 8.425 -2.327 -9.533 256 HG21 ILE 31 HG21 ILE 31 10.889 0.011 -11.069 257 HG22 ILE 31 HG22 ILE 31 10.915 -0.399 -9.354 258 HG23 ILE 31 HG23 ILE 31 10.637 -1.658 -10.557 259 HD11 ILE 31 HD11 ILE 31 9.584 -0.346 -7.778 260 HD12 ILE 31 HD12 ILE 31 8.139 -1.084 -7.085 261 HD13 ILE 31 HD13 ILE 31 9.486 -2.098 -7.603 262 H THR 32 H THR 32 11.015 2.052 -9.600 263 HA THR 32 HA THR 32 10.836 3.934 -11.793 264 HB THR 32 HB THR 32 12.965 4.771 -11.082 265 HG1 THR 32 HG1 THR 32 13.971 3.570 -9.215 266 HG21 THR 32 HG21 THR 32 10.746 4.745 -9.466 267 HG22 THR 32 HG22 THR 32 12.180 5.741 -9.215 268 HG23 THR 32 HG23 THR 32 12.019 4.199 -8.375 269 H LYS 33 H LYS 33 12.251 3.987 -13.586 270 HA LYS 33 HA LYS 33 12.596 1.634 -14.974 271 HB2 LYS 33 HB2 LYS 33 14.300 4.115 -15.259 272 HB3 LYS 33 HB3 LYS 33 14.057 2.873 -16.479 273 HG2 LYS 33 HG2 LYS 33 11.939 3.584 -16.984 274 HG3 LYS 33 HG3 LYS 33 11.682 4.299 -15.391 275 HD2 LYS 33 HD2 LYS 33 13.567 5.388 -17.480 276 HD3 LYS 33 HD3 LYS 33 11.929 5.982 -17.196 277 HE2 LYS 33 HE2 LYS 33 12.707 6.298 -14.759 278 HE3 LYS 33 HE3 LYS 33 14.336 6.155 -15.416 279 HZ1 LYS 33 HZ1 LYS 33 13.146 7.943 -17.071 280 HZ2 LYS 33 HZ2 LYS 33 14.172 8.332 -15.784 281 HZ3 LYS 33 HZ3 LYS 33 12.495 8.350 -15.563 282 H GLU 34 H GLU 34 14.709 3.118 -12.624 283 HA GLU 34 HA GLU 34 17.131 1.934 -13.113 284 HB2 GLU 34 HB2 GLU 34 15.824 2.326 -10.415 285 HB3 GLU 34 HB3 GLU 34 17.539 2.047 -10.681 286 HG2 GLU 34 HG2 GLU 34 17.455 4.146 -12.146 287 HG3 GLU 34 HG3 GLU 34 15.903 4.456 -11.369 288 H LEU 35 H LEU 35 14.264 0.482 -11.691 289 HA LEU 35 HA LEU 35 15.561 -1.963 -10.957 290 HB2 LEU 35 HB2 LEU 35 13.085 -0.747 -10.476 291 HB3 LEU 35 HB3 LEU 35 12.722 -2.238 -11.342 292 HG LEU 35 HG LEU 35 14.120 -3.433 -9.600 293 HD11 LEU 35 HD11 LEU 35 15.391 -1.744 -8.604 294 HD12 LEU 35 HD12 LEU 35 14.170 -2.140 -7.395 295 HD13 LEU 35 HD13 LEU 35 13.992 -0.692 -8.387 296 HD21 LEU 35 HD21 LEU 35 11.559 -3.186 -9.712 297 HD22 LEU 35 HD22 LEU 35 11.758 -2.053 -8.375 298 HD23 LEU 35 HD23 LEU 35 12.286 -3.727 -8.199 299 H TYR 36 H TYR 36 13.314 -1.041 -13.559 300 HA TYR 36 HA TYR 36 13.164 -3.491 -14.854 301 HB2 TYR 36 HB2 TYR 36 11.659 -2.057 -15.783 302 HB3 TYR 36 HB3 TYR 36 12.725 -0.666 -15.623 303 HD1 TYR 36 HD1 TYR 36 11.861 -3.562 -17.725 304 HD2 TYR 36 HD2 TYR 36 14.204 -0.025 -17.401 305 HE1 TYR 36 HE1 TYR 36 12.387 -3.697 -20.124 306 HE2 TYR 36 HE2 TYR 36 14.735 -0.150 -19.799 307 HH TYR 36 HH TYR 36 13.211 -1.547 -21.951 308 H ILE 37 H ILE 37 15.632 -1.001 -15.016 309 HA ILE 37 HA ILE 37 17.041 -2.251 -17.197 310 HB ILE 37 HB ILE 37 17.712 0.049 -15.375 311 HG12 ILE 37 HG12 ILE 37 17.816 0.655 -18.157 312 HG13 ILE 37 HG13 ILE 37 16.329 -0.236 -17.855 313 HG21 ILE 37 HG21 ILE 37 19.811 -0.981 -15.780 314 HG22 ILE 37 HG22 ILE 37 19.427 -1.245 -17.481 315 HG23 ILE 37 HG23 ILE 37 19.696 0.392 -16.881 316 HD11 ILE 37 HD11 ILE 37 15.406 1.447 -16.688 317 HD12 ILE 37 HD12 ILE 37 16.938 1.924 -15.953 318 HD13 ILE 37 HD13 ILE 37 16.558 2.420 -17.602 319 H GLU 38 H GLU 38 17.667 -1.787 -13.720 320 HA GLU 38 HA GLU 38 20.064 -3.202 -13.582 321 HB2 GLU 38 HB2 GLU 38 19.123 -1.768 -11.774 322 HB3 GLU 38 HB3 GLU 38 17.946 -3.029 -11.433 323 HG2 GLU 38 HG2 GLU 38 19.504 -4.429 -10.504 324 HG3 GLU 38 HG3 GLU 38 20.841 -3.714 -11.402 325 H LEU 39 H LEU 39 16.812 -4.387 -12.711 326 HA LEU 39 HA LEU 39 17.493 -7.043 -12.286 327 HB2 LEU 39 HB2 LEU 39 14.975 -5.663 -13.104 328 HB3 LEU 39 HB3 LEU 39 15.033 -7.424 -13.083 329 HG LEU 39 HG LEU 39 15.556 -7.389 -10.700 330 HD11 LEU 39 HD11 LEU 39 16.787 -5.283 -10.631 331 HD12 LEU 39 HD12 LEU 39 15.489 -5.306 -9.437 332 HD13 LEU 39 HD13 LEU 39 15.294 -4.395 -10.934 333 HD21 LEU 39 HD21 LEU 39 13.176 -5.630 -11.264 334 HD22 LEU 39 HD22 LEU 39 13.407 -6.724 -9.899 335 HD23 LEU 39 HD23 LEU 39 13.196 -7.374 -11.526 336 H SER 40 H SER 40 16.743 -5.359 -15.282 337 HA SER 40 HA SER 40 17.039 -7.839 -16.803 338 HB2 SER 40 HB2 SER 40 15.152 -6.216 -17.267 339 HB3 SER 40 HB3 SER 40 16.368 -5.095 -17.878 340 HG SER 40 HG SER 40 16.739 -6.384 -19.569 341 H SER 41 H SER 41 19.313 -8.044 -16.362 342 HA SER 41 HA SER 41 21.030 -6.057 -17.668 343 HB2 SER 41 HB2 SER 41 21.366 -7.090 -15.248 344 HB3 SER 41 HB3 SER 41 22.152 -8.379 -16.159 345 HG SER 41 HG SER 41 23.373 -6.345 -15.400 346 H ASP 42 H ASP 42 19.703 -7.348 -19.548 347 HA ASP 42 HA ASP 42 21.408 -9.556 -20.470 348 HB2 ASP 42 HB2 ASP 42 18.619 -9.211 -20.475 349 HB3 ASP 42 HB3 ASP 42 19.118 -9.051 -22.157 350 H LEU 43 H LEU 43 21.446 -9.591 -23.023 351 HA LEU 43 HA LEU 43 22.100 -6.887 -23.983 352 HB2 LEU 43 HB2 LEU 43 24.012 -7.853 -25.206 353 HB3 LEU 43 HB3 LEU 43 24.180 -7.954 -23.454 354 HG LEU 43 HG LEU 43 23.080 -10.328 -24.854 355 HD11 LEU 43 HD11 LEU 43 24.910 -9.659 -26.327 356 HD12 LEU 43 HD12 LEU 43 25.305 -11.130 -25.438 357 HD13 LEU 43 HD13 LEU 43 26.002 -9.587 -24.943 358 HD21 LEU 43 HD21 LEU 43 23.288 -10.857 -22.669 359 HD22 LEU 43 HD22 LEU 43 24.548 -9.655 -22.384 360 HD23 LEU 43 HD23 LEU 43 24.954 -11.199 -23.136 Start of MODEL 10 1 H1 MET 1 H MET 1 2.995 2.519 -4.050 2 HA MET 1 HA MET 1 1.370 1.587 -1.847 3 HB2 MET 1 HB2 MET 1 1.071 1.892 -4.729 4 HB3 MET 1 HB3 MET 1 0.421 0.365 -4.149 5 HG2 MET 1 HG2 MET 1 -1.192 1.377 -2.868 6 HG3 MET 1 HG3 MET 1 -0.285 2.880 -2.723 7 HE1 MET 1 HE1 MET 1 -2.068 4.296 -3.001 8 HE2 MET 1 HE2 MET 1 -1.190 5.100 -4.303 9 HE3 MET 1 HE3 MET 1 -2.899 4.708 -4.501 10 H ASN 2 H ASN 2 3.103 0.021 -4.545 11 HA ASN 2 HA ASN 2 3.928 -2.135 -2.806 12 HB2 ASN 2 HB2 ASN 2 1.791 -2.459 -4.858 13 HB3 ASN 2 HB3 ASN 2 2.971 -3.756 -4.695 14 HD21 ASN 2 HD21 ASN 2 3.425 -4.203 -2.230 15 HD22 ASN 2 HD22 ASN 2 1.998 -4.466 -1.293 16 H LYS 3 H LYS 3 6.038 -2.036 -3.257 17 HA LYS 3 HA LYS 3 6.848 -2.079 -6.092 18 HB2 LYS 3 HB2 LYS 3 9.035 -1.106 -5.201 19 HB3 LYS 3 HB3 LYS 3 7.641 -0.035 -5.232 20 HG2 LYS 3 HG2 LYS 3 7.440 -0.002 -2.947 21 HG3 LYS 3 HG3 LYS 3 8.230 -1.568 -2.748 22 HD2 LYS 3 HD2 LYS 3 10.368 -0.498 -3.464 23 HD3 LYS 3 HD3 LYS 3 9.536 1.059 -3.450 24 HE2 LYS 3 HE2 LYS 3 8.970 0.643 -1.052 25 HE3 LYS 3 HE3 LYS 3 9.993 -0.792 -1.114 26 HZ1 LYS 3 HZ1 LYS 3 11.060 1.287 -0.231 27 HZ2 LYS 3 HZ2 LYS 3 10.992 1.911 -1.801 28 HZ3 LYS 3 HZ3 LYS 3 11.897 0.517 -1.484 29 H GLU 4 H GLU 4 7.414 -3.357 -2.866 30 HA GLU 4 HA GLU 4 9.490 -5.157 -3.755 31 HB2 GLU 4 HB2 GLU 4 8.087 -4.680 -1.143 32 HB3 GLU 4 HB3 GLU 4 9.098 -6.100 -1.367 33 HG2 GLU 4 HG2 GLU 4 10.789 -4.215 -2.236 34 HG3 GLU 4 HG3 GLU 4 9.846 -3.263 -1.092 35 H HIS 5 H HIS 5 6.063 -5.324 -2.967 36 HA HIS 5 HA HIS 5 5.910 -8.178 -3.193 37 HB2 HIS 5 HB2 HIS 5 4.341 -6.576 -1.892 38 HB3 HIS 5 HB3 HIS 5 3.553 -6.328 -3.447 39 HD1 HIS 5 HD1 HIS 5 4.456 -9.207 -1.135 40 HD2 HIS 5 HD2 HIS 5 1.644 -8.169 -4.012 41 HE1 HIS 5 HE1 HIS 5 2.787 -11.087 -1.153 42 H ILE 6 H ILE 6 5.065 -5.441 -5.282 43 HA ILE 6 HA ILE 6 3.890 -6.845 -7.376 44 HB ILE 6 HB ILE 6 3.971 -4.345 -7.125 45 HG12 ILE 6 HG12 ILE 6 4.771 -5.527 -9.793 46 HG13 ILE 6 HG13 ILE 6 3.132 -5.372 -9.168 47 HG21 ILE 6 HG21 ILE 6 6.517 -4.303 -8.651 48 HG22 ILE 6 HG22 ILE 6 5.833 -3.104 -7.555 49 HG23 ILE 6 HG23 ILE 6 6.601 -4.553 -6.908 50 HD11 ILE 6 HD11 ILE 6 4.329 -2.805 -9.127 51 HD12 ILE 6 HD12 ILE 6 4.619 -3.528 -10.710 52 HD13 ILE 6 HD13 ILE 6 2.972 -3.378 -10.097 53 H LEU 7 H LEU 7 7.272 -6.348 -6.594 54 HA LEU 7 HA LEU 7 8.406 -7.153 -9.029 55 HB2 LEU 7 HB2 LEU 7 9.385 -6.215 -6.702 56 HB3 LEU 7 HB3 LEU 7 9.814 -7.918 -6.550 57 HG LEU 7 HG LEU 7 11.075 -7.783 -8.647 58 HD11 LEU 7 HD11 LEU 7 10.085 -4.951 -8.615 59 HD12 LEU 7 HD12 LEU 7 9.996 -6.141 -9.914 60 HD13 LEU 7 HD13 LEU 7 11.546 -5.417 -9.486 61 HD21 LEU 7 HD21 LEU 7 11.687 -6.316 -6.213 62 HD22 LEU 7 HD22 LEU 7 12.563 -5.702 -7.615 63 HD23 LEU 7 HD23 LEU 7 12.698 -7.403 -7.166 64 H ALA 8 H ALA 8 7.195 -8.990 -6.297 65 HA ALA 8 HA ALA 8 8.286 -11.481 -6.768 66 HB1 ALA 8 HB1 ALA 8 6.436 -10.491 -5.038 67 HB2 ALA 8 HB2 ALA 8 5.447 -11.553 -6.042 68 HB3 ALA 8 HB3 ALA 8 6.855 -12.198 -5.197 69 H GLN 9 H GLN 9 5.789 -9.808 -8.531 70 HA GLN 9 HA GLN 9 4.780 -12.072 -9.930 71 HB2 GLN 9 HB2 GLN 9 4.660 -9.124 -10.586 72 HB3 GLN 9 HB3 GLN 9 3.773 -10.373 -11.450 73 HG2 GLN 9 HG2 GLN 9 3.460 -9.646 -8.547 74 HG3 GLN 9 HG3 GLN 9 2.342 -9.259 -9.854 75 HE21 GLN 9 HE21 GLN 9 3.645 -11.795 -7.849 76 HE22 GLN 9 HE22 GLN 9 2.408 -12.958 -8.171 77 H LYS 10 H LYS 10 6.859 -9.381 -11.012 78 HA LYS 10 HA LYS 10 7.492 -10.414 -13.518 79 HB2 LYS 10 HB2 LYS 10 9.357 -8.870 -13.531 80 HB3 LYS 10 HB3 LYS 10 7.964 -8.095 -12.788 81 HG2 LYS 10 HG2 LYS 10 8.971 -7.904 -10.788 82 HG3 LYS 10 HG3 LYS 10 9.786 -9.463 -10.928 83 HD2 LYS 10 HD2 LYS 10 10.600 -7.003 -12.468 84 HD3 LYS 10 HD3 LYS 10 11.309 -7.470 -10.920 85 HE2 LYS 10 HE2 LYS 10 11.343 -9.071 -13.476 86 HE3 LYS 10 HE3 LYS 10 12.710 -8.236 -12.741 87 HZ1 LYS 10 HZ1 LYS 10 11.368 -10.706 -11.888 88 HZ2 LYS 10 HZ2 LYS 10 12.126 -9.741 -10.725 89 HZ3 LYS 10 HZ3 LYS 10 13.022 -10.372 -12.014 90 H GLU 11 H GLU 11 8.566 -11.378 -10.401 91 HA GLU 11 HA GLU 11 11.035 -12.565 -11.148 92 HB2 GLU 11 HB2 GLU 11 9.511 -12.236 -8.763 93 HB3 GLU 11 HB3 GLU 11 9.906 -13.942 -8.923 94 HG2 GLU 11 HG2 GLU 11 12.302 -13.178 -9.326 95 HG3 GLU 11 HG3 GLU 11 11.772 -11.605 -8.734 96 H VAL 12 H VAL 12 7.736 -13.548 -11.406 97 HA VAL 12 HA VAL 12 8.505 -16.319 -11.981 98 HB VAL 12 HB VAL 12 5.681 -15.290 -11.910 99 HG11 VAL 12 HG11 VAL 12 6.749 -18.003 -11.174 100 HG12 VAL 12 HG12 VAL 12 5.083 -17.543 -11.532 101 HG13 VAL 12 HG13 VAL 12 6.287 -17.574 -12.821 102 HG21 VAL 12 HG21 VAL 12 6.521 -14.584 -9.813 103 HG22 VAL 12 HG22 VAL 12 5.666 -16.097 -9.514 104 HG23 VAL 12 HG23 VAL 12 7.428 -16.080 -9.590 105 H LEU 13 H LEU 13 6.745 -13.587 -13.408 106 HA LEU 13 HA LEU 13 5.965 -14.695 -15.805 107 HB2 LEU 13 HB2 LEU 13 6.753 -11.944 -14.972 108 HB3 LEU 13 HB3 LEU 13 6.482 -12.271 -16.683 109 HG LEU 13 HG LEU 13 4.190 -12.942 -16.210 110 HD11 LEU 13 HD11 LEU 13 4.661 -13.821 -13.923 111 HD12 LEU 13 HD12 LEU 13 3.223 -12.806 -14.031 112 HD13 LEU 13 HD13 LEU 13 4.713 -12.153 -13.351 113 HD21 LEU 13 HD21 LEU 13 4.911 -10.285 -14.977 114 HD22 LEU 13 HD22 LEU 13 3.311 -10.757 -15.549 115 HD23 LEU 13 HD23 LEU 13 4.644 -10.596 -16.693 116 H THR 14 H THR 14 6.872 -14.483 -17.965 117 HA THR 14 HA THR 14 9.468 -15.544 -18.153 118 HB THR 14 HB THR 14 9.023 -14.541 -20.665 119 HG1 THR 14 HG1 THR 14 6.452 -15.326 -19.827 120 HG21 THR 14 HG21 THR 14 7.698 -17.057 -19.679 121 HG22 THR 14 HG22 THR 14 9.449 -16.916 -19.838 122 HG23 THR 14 HG23 THR 14 8.417 -16.742 -21.258 123 HA PRO 15 HA PRO 15 12.186 -12.104 -18.331 124 HB2 PRO 15 HB2 PRO 15 13.874 -12.766 -20.353 125 HB3 PRO 15 HB3 PRO 15 13.889 -13.579 -18.783 126 HG2 PRO 15 HG2 PRO 15 12.629 -14.450 -21.355 127 HG3 PRO 15 HG3 PRO 15 13.554 -15.406 -20.182 128 HD2 PRO 15 HD2 PRO 15 10.849 -15.449 -20.285 129 HD3 PRO 15 HD3 PRO 15 11.750 -15.652 -18.769 130 H ILE 16 H ILE 16 10.633 -13.027 -21.342 131 HA ILE 16 HA ILE 16 11.244 -10.510 -22.632 132 HB ILE 16 HB ILE 16 9.747 -12.972 -23.441 133 HG12 ILE 16 HG12 ILE 16 11.532 -11.747 -25.371 134 HG13 ILE 16 HG13 ILE 16 12.337 -11.984 -23.824 135 HG21 ILE 16 HG21 ILE 16 8.239 -11.320 -24.195 136 HG22 ILE 16 HG22 ILE 16 9.545 -10.263 -24.727 137 HG23 ILE 16 HG23 ILE 16 9.213 -11.760 -25.598 138 HD11 ILE 16 HD11 ILE 16 10.789 -14.291 -24.716 139 HD12 ILE 16 HD12 ILE 16 12.120 -13.850 -25.786 140 HD13 ILE 16 HD13 ILE 16 12.432 -14.195 -24.085 141 H GLU 17 H GLU 17 8.569 -11.993 -20.930 142 HA GLU 17 HA GLU 17 6.679 -9.947 -21.657 143 HB2 GLU 17 HB2 GLU 17 6.655 -12.367 -19.919 144 HB3 GLU 17 HB3 GLU 17 5.455 -11.121 -19.606 145 HG2 GLU 17 HG2 GLU 17 4.321 -12.472 -21.058 146 HG3 GLU 17 HG3 GLU 17 5.017 -11.294 -22.169 147 H TYR 18 H TYR 18 8.793 -10.642 -18.941 148 HA TYR 18 HA TYR 18 7.751 -8.838 -17.080 149 HB2 TYR 18 HB2 TYR 18 9.319 -10.011 -15.969 150 HB3 TYR 18 HB3 TYR 18 10.237 -10.338 -17.435 151 HD1 TYR 18 HD1 TYR 18 9.529 -7.566 -15.036 152 HD2 TYR 18 HD2 TYR 18 12.324 -9.367 -17.690 153 HE1 TYR 18 HE1 TYR 18 11.243 -5.956 -14.314 154 HE2 TYR 18 HE2 TYR 18 14.046 -7.763 -16.974 155 HH TYR 18 HH TYR 18 14.513 -6.008 -15.704 156 H GLU 19 H GLU 19 10.055 -8.368 -19.710 157 HA GLU 19 HA GLU 19 11.001 -5.841 -19.141 158 HB2 GLU 19 HB2 GLU 19 11.072 -7.579 -21.331 159 HB3 GLU 19 HB3 GLU 19 10.387 -6.089 -21.962 160 HG2 GLU 19 HG2 GLU 19 12.294 -4.834 -21.210 161 HG3 GLU 19 HG3 GLU 19 12.960 -6.257 -20.412 162 H HIS 20 H HIS 20 7.887 -6.789 -20.438 163 HA HIS 20 HA HIS 20 7.106 -4.039 -20.948 164 HB2 HIS 20 HB2 HIS 20 5.624 -6.658 -21.226 165 HB3 HIS 20 HB3 HIS 20 4.914 -5.090 -21.595 166 HD1 HIS 20 HD1 HIS 20 5.074 -4.448 -23.971 167 HD2 HIS 20 HD2 HIS 20 8.112 -7.062 -22.876 168 HE1 HIS 20 HE1 HIS 20 6.365 -4.901 -26.081 169 H TYR 21 H TYR 21 6.724 -6.475 -18.500 170 HA TYR 21 HA TYR 21 4.462 -5.605 -17.163 171 HB2 TYR 21 HB2 TYR 21 5.151 -7.483 -16.117 172 HB3 TYR 21 HB3 TYR 21 6.845 -7.180 -16.486 173 HD1 TYR 21 HD1 TYR 21 4.179 -6.754 -14.035 174 HD2 TYR 21 HD2 TYR 21 8.228 -5.840 -14.968 175 HE1 TYR 21 HE1 TYR 21 4.566 -6.109 -11.694 176 HE2 TYR 21 HE2 TYR 21 8.627 -5.193 -12.629 177 HH TYR 21 HH TYR 21 7.631 -5.687 -10.386 178 H VAL 22 H VAL 22 7.707 -4.289 -17.154 179 HA VAL 22 HA VAL 22 7.164 -2.450 -14.992 180 HB VAL 22 HB VAL 22 9.518 -2.715 -16.862 181 HG11 VAL 22 HG11 VAL 22 8.792 -0.595 -14.951 182 HG12 VAL 22 HG12 VAL 22 10.446 -1.197 -14.834 183 HG13 VAL 22 HG13 VAL 22 9.851 -0.542 -16.359 184 HG21 VAL 22 HG21 VAL 22 8.940 -3.581 -14.056 185 HG22 VAL 22 HG22 VAL 22 9.614 -4.510 -15.394 186 HG23 VAL 22 HG23 VAL 22 10.599 -3.294 -14.581 187 H LYS 23 H LYS 23 6.850 -2.497 -18.416 188 HA LYS 23 HA LYS 23 7.041 0.264 -18.960 189 HB2 LYS 23 HB2 LYS 23 5.495 -1.911 -20.379 190 HB3 LYS 23 HB3 LYS 23 5.736 -0.288 -21.013 191 HG2 LYS 23 HG2 LYS 23 8.034 -2.075 -20.287 192 HG3 LYS 23 HG3 LYS 23 7.271 -2.113 -21.878 193 HD2 LYS 23 HD2 LYS 23 8.294 0.438 -20.660 194 HD3 LYS 23 HD3 LYS 23 9.335 -0.633 -21.601 195 HE2 LYS 23 HE2 LYS 23 6.926 -0.249 -23.053 196 HE3 LYS 23 HE3 LYS 23 7.497 1.333 -22.525 197 HZ1 LYS 23 HZ1 LYS 23 8.662 1.111 -24.447 198 HZ2 LYS 23 HZ2 LYS 23 8.743 -0.576 -24.357 199 HZ3 LYS 23 HZ3 LYS 23 9.765 0.371 -23.398 200 H HIS 24 H HIS 24 4.392 -1.771 -17.869 201 HA HIS 24 HA HIS 24 2.387 0.253 -18.166 202 HB2 HIS 24 HB2 HIS 24 1.402 -1.824 -18.209 203 HB3 HIS 24 HB3 HIS 24 2.508 -2.491 -17.011 204 HD1 HIS 24 HD1 HIS 24 -0.072 0.314 -16.868 205 HD2 HIS 24 HD2 HIS 24 1.076 -3.111 -14.817 206 HE1 HIS 24 HE1 HIS 24 -1.619 0.165 -14.890 207 H LEU 25 H LEU 25 4.530 -0.807 -15.610 208 HA LEU 25 HA LEU 25 3.317 0.353 -13.399 209 HB2 LEU 25 HB2 LEU 25 6.114 -0.330 -14.134 210 HB3 LEU 25 HB3 LEU 25 5.854 0.683 -12.716 211 HG LEU 25 HG LEU 25 5.030 -1.026 -11.477 212 HD11 LEU 25 HD11 LEU 25 3.841 -2.994 -12.471 213 HD12 LEU 25 HD12 LEU 25 3.953 -2.189 -14.036 214 HD13 LEU 25 HD13 LEU 25 3.046 -1.440 -12.722 215 HD21 LEU 25 HD21 LEU 25 6.600 -2.614 -11.582 216 HD22 LEU 25 HD22 LEU 25 7.224 -1.713 -12.964 217 HD23 LEU 25 HD23 LEU 25 6.146 -3.086 -13.220 218 H PHE 26 H PHE 26 5.703 1.781 -15.619 219 HA PHE 26 HA PHE 26 6.080 4.237 -14.496 220 HB2 PHE 26 HB2 PHE 26 5.699 3.672 -17.445 221 HB3 PHE 26 HB3 PHE 26 6.474 5.102 -16.770 222 HD1 PHE 26 HD1 PHE 26 7.150 2.159 -18.346 223 HD2 PHE 26 HD2 PHE 26 8.347 4.350 -14.898 224 HE1 PHE 26 HE1 PHE 26 9.312 0.983 -18.353 225 HE2 PHE 26 HE2 PHE 26 10.511 3.179 -14.901 226 HZ PHE 26 HZ PHE 26 10.996 1.493 -16.630 227 H ASP 27 H ASP 27 3.247 3.091 -16.197 228 HA ASP 27 HA ASP 27 1.909 5.410 -16.795 229 HB2 ASP 27 HB2 ASP 27 1.196 2.950 -17.136 230 HB3 ASP 27 HB3 ASP 27 0.469 3.086 -15.537 231 H ILE 28 H ILE 28 1.851 3.677 -13.686 232 HA ILE 28 HA ILE 28 0.556 5.996 -12.450 233 HB ILE 28 HB ILE 28 -0.059 4.621 -10.646 234 HG12 ILE 28 HG12 ILE 28 1.959 2.628 -11.693 235 HG13 ILE 28 HG13 ILE 28 2.056 3.542 -10.192 236 HG21 ILE 28 HG21 ILE 28 -0.242 2.563 -12.789 237 HG22 ILE 28 HG22 ILE 28 -1.472 3.130 -11.661 238 HG23 ILE 28 HG23 ILE 28 -1.017 4.127 -13.042 239 HD11 ILE 28 HD11 ILE 28 0.037 1.408 -10.841 240 HD12 ILE 28 HD12 ILE 28 1.426 1.247 -9.766 241 HD13 ILE 28 HD13 ILE 28 0.106 2.336 -9.343 242 H GLY 29 H GLY 29 3.552 4.232 -12.529 243 HA2 GLY 29 HA2 GLY 29 5.615 5.229 -11.901 244 HA3 GLY 29 HA3 GLY 29 4.740 6.276 -10.793 245 H GLU 30 H GLU 30 4.176 2.830 -10.956 246 HA GLU 30 HA GLU 30 4.582 2.491 -8.180 247 HB2 GLU 30 HB2 GLU 30 3.341 1.042 -10.120 248 HB3 GLU 30 HB3 GLU 30 4.794 0.084 -9.869 249 HG2 GLU 30 HG2 GLU 30 2.750 -0.531 -8.504 250 HG3 GLU 30 HG3 GLU 30 4.270 -0.341 -7.633 251 H ILE 31 H ILE 31 6.419 1.046 -10.878 252 HA ILE 31 HA ILE 31 8.773 0.979 -9.109 253 HB ILE 31 HB ILE 31 8.179 -0.735 -11.524 254 HG12 ILE 31 HG12 ILE 31 6.795 -1.326 -9.597 255 HG13 ILE 31 HG13 ILE 31 8.007 -2.569 -9.885 256 HG21 ILE 31 HG21 ILE 31 10.542 -0.373 -11.361 257 HG22 ILE 31 HG22 ILE 31 10.521 -0.706 -9.630 258 HG23 ILE 31 HG23 ILE 31 10.191 -2.001 -10.781 259 HD11 ILE 31 HD11 ILE 31 9.242 -0.874 -8.102 260 HD12 ILE 31 HD12 ILE 31 7.565 -0.909 -7.557 261 HD13 ILE 31 HD13 ILE 31 8.470 -2.413 -7.723 262 H THR 32 H THR 32 10.749 1.713 -9.847 263 HA THR 32 HA THR 32 10.610 3.588 -12.073 264 HB THR 32 HB THR 32 12.801 4.388 -11.291 265 HG1 THR 32 HG1 THR 32 13.506 2.322 -10.441 266 HG21 THR 32 HG21 THR 32 11.229 4.196 -8.776 267 HG22 THR 32 HG22 THR 32 10.447 4.926 -10.178 268 HG23 THR 32 HG23 THR 32 11.950 5.604 -9.554 269 H LYS 33 H LYS 33 12.515 3.735 -13.547 270 HA LYS 33 HA LYS 33 12.866 1.356 -14.972 271 HB2 LYS 33 HB2 LYS 33 14.670 3.780 -15.039 272 HB3 LYS 33 HB3 LYS 33 14.494 2.567 -16.301 273 HG2 LYS 33 HG2 LYS 33 12.379 3.327 -16.908 274 HG3 LYS 33 HG3 LYS 33 12.154 4.197 -15.389 275 HD2 LYS 33 HD2 LYS 33 14.196 4.921 -17.489 276 HD3 LYS 33 HD3 LYS 33 12.609 5.679 -17.333 277 HE2 LYS 33 HE2 LYS 33 13.515 5.934 -14.807 278 HE3 LYS 33 HE3 LYS 33 15.040 5.992 -15.689 279 HZ1 LYS 33 HZ1 LYS 33 14.102 8.198 -15.388 280 HZ2 LYS 33 HZ2 LYS 33 12.688 7.735 -16.192 281 HZ3 LYS 33 HZ3 LYS 33 14.156 7.795 -17.030 282 H GLU 34 H GLU 34 14.712 2.769 -12.370 283 HA GLU 34 HA GLU 34 17.147 1.513 -12.595 284 HB2 GLU 34 HB2 GLU 34 16.997 3.023 -10.833 285 HB3 GLU 34 HB3 GLU 34 15.495 2.332 -10.236 286 HG2 GLU 34 HG2 GLU 34 16.542 0.766 -8.999 287 HG3 GLU 34 HG3 GLU 34 17.857 0.571 -10.157 288 H LEU 35 H LEU 35 14.092 0.175 -11.493 289 HA LEU 35 HA LEU 35 15.239 -2.313 -10.624 290 HB2 LEU 35 HB2 LEU 35 12.740 -0.995 -10.411 291 HB3 LEU 35 HB3 LEU 35 12.453 -2.559 -11.170 292 HG LEU 35 HG LEU 35 13.581 -3.651 -9.256 293 HD11 LEU 35 HD11 LEU 35 15.042 -1.982 -8.451 294 HD12 LEU 35 HD12 LEU 35 13.837 -2.224 -7.187 295 HD13 LEU 35 HD13 LEU 35 13.730 -0.821 -8.250 296 HD21 LEU 35 HD21 LEU 35 11.080 -3.162 -9.416 297 HD22 LEU 35 HD22 LEU 35 11.380 -1.873 -8.251 298 HD23 LEU 35 HD23 LEU 35 11.730 -3.548 -7.823 299 H TYR 36 H TYR 36 13.463 -1.183 -13.469 300 HA TYR 36 HA TYR 36 13.203 -3.666 -14.753 301 HB2 TYR 36 HB2 TYR 36 11.883 -2.158 -15.826 302 HB3 TYR 36 HB3 TYR 36 12.991 -0.822 -15.536 303 HD1 TYR 36 HD1 TYR 36 13.995 0.111 -17.386 304 HD2 TYR 36 HD2 TYR 36 12.891 -3.996 -17.516 305 HE1 TYR 36 HE1 TYR 36 14.764 -0.016 -19.718 306 HE2 TYR 36 HE2 TYR 36 13.658 -4.134 -19.849 307 HH TYR 36 HH TYR 36 14.829 -1.271 -21.570 308 H ILE 37 H ILE 37 15.803 -1.295 -14.731 309 HA ILE 37 HA ILE 37 17.336 -2.668 -16.746 310 HB ILE 37 HB ILE 37 17.977 -0.363 -14.916 311 HG12 ILE 37 HG12 ILE 37 18.296 0.237 -17.667 312 HG13 ILE 37 HG13 ILE 37 16.776 -0.636 -17.507 313 HG21 ILE 37 HG21 ILE 37 20.042 -1.515 -15.179 314 HG22 ILE 37 HG22 ILE 37 19.757 -1.757 -16.902 315 HG23 ILE 37 HG23 ILE 37 20.070 -0.137 -16.280 316 HD11 ILE 37 HD11 ILE 37 15.775 1.051 -16.409 317 HD12 ILE 37 HD12 ILE 37 17.244 1.505 -15.543 318 HD13 ILE 37 HD13 ILE 37 17.012 2.014 -17.215 319 H GLU 38 H GLU 38 17.399 -2.368 -13.225 320 HA GLU 38 HA GLU 38 19.804 -3.782 -12.806 321 HB2 GLU 38 HB2 GLU 38 17.451 -3.078 -11.095 322 HB3 GLU 38 HB3 GLU 38 18.648 -4.214 -10.489 323 HG2 GLU 38 HG2 GLU 38 20.396 -2.559 -10.755 324 HG3 GLU 38 HG3 GLU 38 19.239 -1.421 -11.443 325 H LEU 39 H LEU 39 16.433 -4.874 -12.378 326 HA LEU 39 HA LEU 39 16.955 -7.545 -11.871 327 HB2 LEU 39 HB2 LEU 39 14.643 -6.061 -13.018 328 HB3 LEU 39 HB3 LEU 39 14.635 -7.822 -13.095 329 HG LEU 39 HG LEU 39 13.392 -6.826 -11.161 330 HD11 LEU 39 HD11 LEU 39 15.692 -8.515 -10.232 331 HD12 LEU 39 HD12 LEU 39 14.420 -9.155 -11.272 332 HD13 LEU 39 HD13 LEU 39 14.018 -8.524 -9.675 333 HD21 LEU 39 HD21 LEU 39 14.879 -4.980 -10.657 334 HD22 LEU 39 HD22 LEU 39 16.178 -6.104 -10.257 335 HD23 LEU 39 HD23 LEU 39 14.729 -6.037 -9.253 336 H SER 40 H SER 40 16.746 -5.850 -14.945 337 HA SER 40 HA SER 40 16.949 -8.272 -16.500 338 HB2 SER 40 HB2 SER 40 16.997 -6.787 -18.437 339 HB3 SER 40 HB3 SER 40 15.709 -6.296 -17.337 340 HG SER 40 HG SER 40 17.618 -4.790 -18.267 341 H SER 41 H SER 41 18.954 -8.839 -15.185 342 HA SER 41 HA SER 41 21.374 -7.500 -16.112 343 HB2 SER 41 HB2 SER 41 20.871 -8.317 -13.673 344 HB3 SER 41 HB3 SER 41 21.386 -9.885 -14.292 345 HG SER 41 HG SER 41 22.882 -7.747 -13.602 346 H ASP 42 H ASP 42 20.431 -8.495 -18.292 347 HA ASP 42 HA ASP 42 21.795 -11.076 -18.704 348 HB2 ASP 42 HB2 ASP 42 19.123 -10.477 -19.173 349 HB3 ASP 42 HB3 ASP 42 19.864 -10.368 -20.768 350 H LEU 43 H LEU 43 20.868 -8.055 -20.344 351 HA LEU 43 HA LEU 43 23.315 -8.299 -21.968 352 HB2 LEU 43 HB2 LEU 43 22.232 -7.216 -23.766 353 HB3 LEU 43 HB3 LEU 43 21.139 -8.477 -23.200 354 HG LEU 43 HG LEU 43 20.189 -6.374 -21.807 355 HD11 LEU 43 HD11 LEU 43 20.059 -4.579 -23.711 356 HD12 LEU 43 HD12 LEU 43 21.599 -5.288 -24.196 357 HD13 LEU 43 HD13 LEU 43 21.414 -4.600 -22.582 358 HD21 LEU 43 HD21 LEU 43 18.615 -7.577 -22.947 359 HD22 LEU 43 HD22 LEU 43 19.529 -7.558 -24.456 360 HD23 LEU 43 HD23 LEU 43 18.654 -6.117 -23.935 Start of MODEL 11 1 H1 MET 1 H MET 1 0.995 -1.598 0.979 2 HA MET 1 HA MET 1 3.478 -2.082 -0.352 3 HB2 MET 1 HB2 MET 1 1.256 -3.891 0.586 4 HB3 MET 1 HB3 MET 1 2.684 -4.501 -0.241 5 HG2 MET 1 HG2 MET 1 4.071 -3.438 1.540 6 HG3 MET 1 HG3 MET 1 2.577 -3.063 2.396 7 HE1 MET 1 HE1 MET 1 1.709 -4.338 4.098 8 HE2 MET 1 HE2 MET 1 0.750 -5.322 2.992 9 HE3 MET 1 HE3 MET 1 1.696 -6.094 4.266 10 H ASN 2 H ASN 2 3.526 -1.451 -2.448 11 HA ASN 2 HA ASN 2 1.649 -2.796 -4.266 12 HB2 ASN 2 HB2 ASN 2 2.317 0.114 -4.106 13 HB3 ASN 2 HB3 ASN 2 2.001 -0.595 -5.687 14 HD21 ASN 2 HD21 ASN 2 -0.022 -0.611 -6.334 15 HD22 ASN 2 HD22 ASN 2 -1.416 -0.484 -5.321 16 H LYS 3 H LYS 3 4.537 -0.704 -4.423 17 HA LYS 3 HA LYS 3 5.620 -1.714 -6.752 18 HB2 LYS 3 HB2 LYS 3 7.805 -0.897 -5.900 19 HB3 LYS 3 HB3 LYS 3 6.510 0.279 -5.719 20 HG2 LYS 3 HG2 LYS 3 6.327 -0.836 -3.327 21 HG3 LYS 3 HG3 LYS 3 8.018 -1.222 -3.655 22 HD2 LYS 3 HD2 LYS 3 7.872 1.400 -4.415 23 HD3 LYS 3 HD3 LYS 3 6.753 1.350 -3.050 24 HE2 LYS 3 HE2 LYS 3 8.401 0.765 -1.550 25 HE3 LYS 3 HE3 LYS 3 9.426 0.051 -2.794 26 HZ1 LYS 3 HZ1 LYS 3 10.568 1.946 -2.615 27 HZ2 LYS 3 HZ2 LYS 3 9.305 2.771 -1.851 28 HZ3 LYS 3 HZ3 LYS 3 9.329 2.637 -3.538 29 H GLU 4 H GLU 4 6.045 -2.881 -3.436 30 HA GLU 4 HA GLU 4 7.893 -4.937 -4.149 31 HB2 GLU 4 HB2 GLU 4 6.236 -4.438 -1.679 32 HB3 GLU 4 HB3 GLU 4 7.323 -5.812 -1.832 33 HG2 GLU 4 HG2 GLU 4 9.218 -4.483 -1.819 34 HG3 GLU 4 HG3 GLU 4 8.327 -3.035 -2.286 35 H HIS 5 H HIS 5 4.407 -4.753 -3.747 36 HA HIS 5 HA HIS 5 3.840 -7.503 -3.764 37 HB2 HIS 5 HB2 HIS 5 2.365 -5.120 -3.683 38 HB3 HIS 5 HB3 HIS 5 1.794 -5.968 -5.117 39 HD1 HIS 5 HD1 HIS 5 0.993 -5.650 -1.713 40 HD2 HIS 5 HD2 HIS 5 1.277 -8.890 -4.297 41 HE1 HIS 5 HE1 HIS 5 -0.358 -7.483 -0.645 42 H ILE 6 H ILE 6 3.574 -5.180 -6.463 43 HA ILE 6 HA ILE 6 3.097 -7.064 -8.464 44 HB ILE 6 HB ILE 6 3.725 -5.364 -10.066 45 HG12 ILE 6 HG12 ILE 6 4.901 -3.906 -7.690 46 HG13 ILE 6 HG13 ILE 6 5.795 -4.586 -9.045 47 HG21 ILE 6 HG21 ILE 6 1.903 -4.137 -9.647 48 HG22 ILE 6 HG22 ILE 6 1.741 -5.126 -8.196 49 HG23 ILE 6 HG23 ILE 6 2.536 -3.555 -8.108 50 HD11 ILE 6 HD11 ILE 6 3.940 -2.873 -10.204 51 HD12 ILE 6 HD12 ILE 6 4.533 -2.017 -8.781 52 HD13 ILE 6 HD13 ILE 6 5.669 -2.596 -9.999 53 H LEU 7 H LEU 7 6.100 -5.931 -7.053 54 HA LEU 7 HA LEU 7 7.961 -6.758 -8.902 55 HB2 LEU 7 HB2 LEU 7 7.957 -5.986 -6.194 56 HB3 LEU 7 HB3 LEU 7 8.861 -7.496 -6.283 57 HG LEU 7 HG LEU 7 10.401 -5.672 -6.439 58 HD11 LEU 7 HD11 LEU 7 10.077 -6.662 -9.256 59 HD12 LEU 7 HD12 LEU 7 10.641 -7.703 -7.949 60 HD13 LEU 7 HD13 LEU 7 11.562 -6.265 -8.391 61 HD21 LEU 7 HD21 LEU 7 9.562 -3.737 -7.181 62 HD22 LEU 7 HD22 LEU 7 8.323 -4.536 -8.149 63 HD23 LEU 7 HD23 LEU 7 9.956 -4.342 -8.790 64 H ALA 8 H ALA 8 6.605 -8.709 -6.246 65 HA ALA 8 HA ALA 8 7.914 -11.088 -6.717 66 HB1 ALA 8 HB1 ALA 8 5.021 -10.918 -5.904 67 HB2 ALA 8 HB2 ALA 8 6.193 -12.171 -5.493 68 HB3 ALA 8 HB3 ALA 8 6.359 -10.552 -4.814 69 H GLN 9 H GLN 9 5.279 -9.652 -8.494 70 HA GLN 9 HA GLN 9 4.444 -11.957 -9.901 71 HB2 GLN 9 HB2 GLN 9 4.291 -9.134 -10.946 72 HB3 GLN 9 HB3 GLN 9 3.221 -10.482 -11.308 73 HG2 GLN 9 HG2 GLN 9 3.453 -9.013 -8.693 74 HG3 GLN 9 HG3 GLN 9 2.113 -8.945 -9.836 75 HE21 GLN 9 HE21 GLN 9 2.866 -10.078 -6.955 76 HE22 GLN 9 HE22 GLN 9 1.944 -11.539 -6.914 77 H LYS 10 H LYS 10 6.739 -9.373 -10.711 78 HA LYS 10 HA LYS 10 7.409 -10.358 -13.272 79 HB2 LYS 10 HB2 LYS 10 8.978 -8.669 -13.356 80 HB3 LYS 10 HB3 LYS 10 7.875 -8.040 -12.139 81 HG2 LYS 10 HG2 LYS 10 9.737 -7.719 -10.945 82 HG3 LYS 10 HG3 LYS 10 9.601 -9.443 -10.592 83 HD2 LYS 10 HD2 LYS 10 10.904 -9.296 -13.059 84 HD3 LYS 10 HD3 LYS 10 11.631 -8.025 -12.073 85 HE2 LYS 10 HE2 LYS 10 12.521 -9.501 -10.585 86 HE3 LYS 10 HE3 LYS 10 11.218 -10.669 -10.797 87 HZ1 LYS 10 HZ1 LYS 10 12.388 -10.723 -13.204 88 HZ2 LYS 10 HZ2 LYS 10 12.762 -11.789 -11.946 89 HZ3 LYS 10 HZ3 LYS 10 13.727 -10.425 -12.214 90 H GLU 11 H GLU 11 8.121 -11.524 -10.186 91 HA GLU 11 HA GLU 11 10.572 -12.869 -11.053 92 HB2 GLU 11 HB2 GLU 11 9.648 -11.853 -8.564 93 HB3 GLU 11 HB3 GLU 11 9.816 -13.595 -8.396 94 HG2 GLU 11 HG2 GLU 11 12.115 -12.770 -9.736 95 HG3 GLU 11 HG3 GLU 11 11.841 -11.555 -8.489 96 H VAL 12 H VAL 12 7.451 -13.425 -11.469 97 HA VAL 12 HA VAL 12 7.784 -16.339 -11.283 98 HB VAL 12 HB VAL 12 5.366 -16.534 -10.684 99 HG11 VAL 12 HG11 VAL 12 7.498 -15.504 -8.932 100 HG12 VAL 12 HG12 VAL 12 5.862 -15.427 -8.276 101 HG13 VAL 12 HG13 VAL 12 6.530 -16.972 -8.803 102 HG21 VAL 12 HG21 VAL 12 5.620 -13.572 -10.172 103 HG22 VAL 12 HG22 VAL 12 4.626 -14.333 -11.413 104 HG23 VAL 12 HG23 VAL 12 4.248 -14.578 -9.708 105 H LEU 13 H LEU 13 7.943 -14.297 -13.467 106 HA LEU 13 HA LEU 13 6.097 -15.644 -15.301 107 HB2 LEU 13 HB2 LEU 13 5.768 -13.404 -16.440 108 HB3 LEU 13 HB3 LEU 13 4.918 -13.661 -14.918 109 HG LEU 13 HG LEU 13 6.960 -12.408 -13.886 110 HD11 LEU 13 HD11 LEU 13 7.109 -11.643 -16.790 111 HD12 LEU 13 HD12 LEU 13 8.396 -12.267 -15.759 112 HD13 LEU 13 HD13 LEU 13 7.764 -10.642 -15.494 113 HD21 LEU 13 HD21 LEU 13 5.803 -10.221 -14.415 114 HD22 LEU 13 HD22 LEU 13 4.793 -11.486 -13.716 115 HD23 LEU 13 HD23 LEU 13 4.717 -11.152 -15.446 116 H THR 14 H THR 14 6.742 -15.522 -17.543 117 HA THR 14 HA THR 14 9.391 -16.115 -18.018 118 HB THR 14 HB THR 14 8.632 -15.114 -20.449 119 HG1 THR 14 HG1 THR 14 6.448 -15.299 -20.649 120 HG21 THR 14 HG21 THR 14 7.419 -17.631 -20.298 121 HG22 THR 14 HG22 THR 14 8.734 -17.673 -19.123 122 HG23 THR 14 HG23 THR 14 9.068 -17.271 -20.807 123 HA PRO 15 HA PRO 15 11.684 -12.383 -18.285 124 HB2 PRO 15 HB2 PRO 15 13.282 -12.814 -20.438 125 HB3 PRO 15 HB3 PRO 15 13.504 -13.647 -18.895 126 HG2 PRO 15 HG2 PRO 15 12.163 -14.610 -21.392 127 HG3 PRO 15 HG3 PRO 15 13.273 -15.475 -20.314 128 HD2 PRO 15 HD2 PRO 15 10.589 -15.823 -20.225 129 HD3 PRO 15 HD3 PRO 15 11.616 -15.950 -18.783 130 H ILE 16 H ILE 16 10.007 -13.420 -21.187 131 HA ILE 16 HA ILE 16 10.313 -10.959 -22.603 132 HB ILE 16 HB ILE 16 8.660 -13.414 -22.983 133 HG12 ILE 16 HG12 ILE 16 10.112 -12.092 -25.195 134 HG13 ILE 16 HG13 ILE 16 11.112 -12.673 -23.868 135 HG21 ILE 16 HG21 ILE 16 7.009 -11.799 -23.459 136 HG22 ILE 16 HG22 ILE 16 8.161 -10.754 -24.289 137 HG23 ILE 16 HG23 ILE 16 7.669 -12.281 -25.022 138 HD11 ILE 16 HD11 ILE 16 9.610 -14.844 -24.247 139 HD12 ILE 16 HD12 ILE 16 9.564 -14.174 -25.878 140 HD13 ILE 16 HD13 ILE 16 11.112 -14.545 -25.121 141 H GLU 17 H GLU 17 7.918 -12.282 -20.403 142 HA GLU 17 HA GLU 17 5.998 -10.200 -20.854 143 HB2 GLU 17 HB2 GLU 17 6.237 -12.250 -18.645 144 HB3 GLU 17 HB3 GLU 17 4.873 -11.159 -18.846 145 HG2 GLU 17 HG2 GLU 17 4.616 -12.159 -21.168 146 HG3 GLU 17 HG3 GLU 17 5.733 -13.411 -20.627 147 H TYR 18 H TYR 18 8.484 -10.870 -18.438 148 HA TYR 18 HA TYR 18 7.889 -8.898 -16.581 149 HB2 TYR 18 HB2 TYR 18 9.636 -9.943 -15.652 150 HB3 TYR 18 HB3 TYR 18 10.142 -10.594 -17.207 151 HD1 TYR 18 HD1 TYR 18 12.067 -9.780 -18.269 152 HD2 TYR 18 HD2 TYR 18 10.370 -7.577 -15.049 153 HE1 TYR 18 HE1 TYR 18 14.033 -8.302 -18.252 154 HE2 TYR 18 HE2 TYR 18 12.331 -6.092 -15.024 155 HH TYR 18 HH TYR 18 14.150 -5.423 -16.266 156 H GLU 19 H GLU 19 9.567 -8.661 -19.657 157 HA GLU 19 HA GLU 19 10.710 -6.143 -19.416 158 HB2 GLU 19 HB2 GLU 19 10.454 -8.005 -21.429 159 HB3 GLU 19 HB3 GLU 19 9.526 -6.645 -22.046 160 HG2 GLU 19 HG2 GLU 19 11.385 -5.614 -22.636 161 HG3 GLU 19 HG3 GLU 19 11.962 -5.654 -20.972 162 H HIS 20 H HIS 20 7.394 -7.058 -20.125 163 HA HIS 20 HA HIS 20 6.605 -4.306 -20.609 164 HB2 HIS 20 HB2 HIS 20 5.297 -6.972 -20.833 165 HB3 HIS 20 HB3 HIS 20 4.257 -5.576 -20.567 166 HD1 HIS 20 HD1 HIS 20 4.704 -3.553 -22.393 167 HD2 HIS 20 HD2 HIS 20 5.884 -7.397 -23.439 168 HE1 HIS 20 HE1 HIS 20 4.945 -3.525 -24.896 169 H TYR 21 H TYR 21 6.603 -6.626 -18.032 170 HA TYR 21 HA TYR 21 4.595 -5.710 -16.379 171 HB2 TYR 21 HB2 TYR 21 5.531 -7.543 -15.423 172 HB3 TYR 21 HB3 TYR 21 7.148 -7.142 -15.991 173 HD1 TYR 21 HD1 TYR 21 4.744 -6.799 -13.269 174 HD2 TYR 21 HD2 TYR 21 8.595 -5.663 -14.677 175 HE1 TYR 21 HE1 TYR 21 5.342 -6.042 -11.006 176 HE2 TYR 21 HE2 TYR 21 9.204 -4.904 -12.418 177 HH TYR 21 HH TYR 21 8.472 -4.513 -10.347 178 H VAL 22 H VAL 22 7.779 -4.351 -16.951 179 HA VAL 22 HA VAL 22 7.472 -2.358 -14.868 180 HB VAL 22 HB VAL 22 9.630 -2.818 -16.925 181 HG11 VAL 22 HG11 VAL 22 9.096 -0.500 -15.186 182 HG12 VAL 22 HG12 VAL 22 10.756 -1.098 -15.184 183 HG13 VAL 22 HG13 VAL 22 9.997 -0.603 -16.698 184 HG21 VAL 22 HG21 VAL 22 9.271 -3.450 -14.037 185 HG22 VAL 22 HG22 VAL 22 9.973 -4.427 -15.327 186 HG23 VAL 22 HG23 VAL 22 10.893 -3.092 -14.632 187 H LYS 23 H LYS 23 6.823 -2.682 -18.230 188 HA LYS 23 HA LYS 23 6.945 0.036 -18.996 189 HB2 LYS 23 HB2 LYS 23 5.352 -2.274 -20.115 190 HB3 LYS 23 HB3 LYS 23 5.451 -0.692 -20.877 191 HG2 LYS 23 HG2 LYS 23 7.923 -2.260 -20.247 192 HG3 LYS 23 HG3 LYS 23 6.994 -2.560 -21.718 193 HD2 LYS 23 HD2 LYS 23 7.177 -0.027 -22.108 194 HD3 LYS 23 HD3 LYS 23 8.450 -0.069 -20.885 195 HE2 LYS 23 HE2 LYS 23 9.913 -0.798 -22.388 196 HE3 LYS 23 HE3 LYS 23 8.882 -2.179 -22.761 197 HZ1 LYS 23 HZ1 LYS 23 9.143 0.374 -24.151 198 HZ2 LYS 23 HZ2 LYS 23 7.604 -0.327 -24.113 199 HZ3 LYS 23 HZ3 LYS 23 8.905 -1.179 -24.778 200 H HIS 24 H HIS 24 4.345 -1.974 -17.695 201 HA HIS 24 HA HIS 24 2.339 0.045 -17.913 202 HB2 HIS 24 HB2 HIS 24 1.391 -2.058 -17.812 203 HB3 HIS 24 HB3 HIS 24 2.539 -2.635 -16.609 204 HD1 HIS 24 HD1 HIS 24 -0.005 0.203 -16.534 205 HD2 HIS 24 HD2 HIS 24 1.129 -3.158 -14.372 206 HE1 HIS 24 HE1 HIS 24 -1.500 0.168 -14.512 207 H LEU 25 H LEU 25 4.635 -0.913 -15.447 208 HA LEU 25 HA LEU 25 3.571 0.338 -13.215 209 HB2 LEU 25 HB2 LEU 25 6.314 -0.362 -14.112 210 HB3 LEU 25 HB3 LEU 25 6.152 0.725 -12.735 211 HG LEU 25 HG LEU 25 5.424 -0.918 -11.350 212 HD11 LEU 25 HD11 LEU 25 4.209 -2.959 -12.174 213 HD12 LEU 25 HD12 LEU 25 4.183 -2.207 -13.768 214 HD13 LEU 25 HD13 LEU 25 3.368 -1.427 -12.412 215 HD21 LEU 25 HD21 LEU 25 7.013 -2.483 -11.472 216 HD22 LEU 25 HD22 LEU 25 7.519 -1.671 -12.954 217 HD23 LEU 25 HD23 LEU 25 6.444 -3.068 -13.035 218 H PHE 26 H PHE 26 5.795 1.695 -15.641 219 HA PHE 26 HA PHE 26 6.214 4.197 -14.653 220 HB2 PHE 26 HB2 PHE 26 5.639 3.500 -17.540 221 HB3 PHE 26 HB3 PHE 26 6.430 4.972 -16.985 222 HD1 PHE 26 HD1 PHE 26 7.042 1.948 -18.449 223 HD2 PHE 26 HD2 PHE 26 8.454 4.361 -15.240 224 HE1 PHE 26 HE1 PHE 26 9.221 0.808 -18.555 225 HE2 PHE 26 HE2 PHE 26 10.634 3.227 -15.341 226 HZ PHE 26 HZ PHE 26 11.020 1.448 -17.000 227 H ASP 27 H ASP 27 3.287 2.965 -16.126 228 HA ASP 27 HA ASP 27 1.891 5.261 -16.698 229 HB2 ASP 27 HB2 ASP 27 1.193 2.781 -16.943 230 HB3 ASP 27 HB3 ASP 27 0.547 2.955 -15.314 231 H ILE 28 H ILE 28 2.028 3.585 -13.560 232 HA ILE 28 HA ILE 28 0.754 5.893 -12.291 233 HB ILE 28 HB ILE 28 0.361 4.540 -10.394 234 HG12 ILE 28 HG12 ILE 28 2.322 2.590 -11.616 235 HG13 ILE 28 HG13 ILE 28 2.523 3.505 -10.126 236 HG21 ILE 28 HG21 ILE 28 0.008 2.435 -12.458 237 HG22 ILE 28 HG22 ILE 28 -1.131 3.050 -11.262 238 HG23 ILE 28 HG23 ILE 28 -0.784 3.990 -12.713 239 HD11 ILE 28 HD11 ILE 28 0.488 1.340 -10.595 240 HD12 ILE 28 HD12 ILE 28 1.989 1.175 -9.685 241 HD13 ILE 28 HD13 ILE 28 0.715 2.244 -9.099 242 H GLY 29 H GLY 29 3.810 4.252 -12.537 243 HA2 GLY 29 HA2 GLY 29 5.868 5.345 -12.082 244 HA3 GLY 29 HA3 GLY 29 5.030 6.394 -10.948 245 H GLU 30 H GLU 30 4.571 2.933 -10.950 246 HA GLU 30 HA GLU 30 5.208 2.711 -8.204 247 HB2 GLU 30 HB2 GLU 30 3.905 1.139 -10.054 248 HB3 GLU 30 HB3 GLU 30 5.368 0.219 -9.733 249 HG2 GLU 30 HG2 GLU 30 3.352 -0.314 -8.308 250 HG3 GLU 30 HG3 GLU 30 4.864 -0.004 -7.456 251 H ILE 31 H ILE 31 6.848 1.169 -10.974 252 HA ILE 31 HA ILE 31 9.345 1.256 -9.416 253 HB ILE 31 HB ILE 31 8.594 -0.610 -11.670 254 HG12 ILE 31 HG12 ILE 31 7.385 -1.144 -9.629 255 HG13 ILE 31 HG13 ILE 31 8.641 -2.347 -9.901 256 HG21 ILE 31 HG21 ILE 31 10.961 -0.157 -11.702 257 HG22 ILE 31 HG22 ILE 31 11.078 -0.461 -9.970 258 HG23 ILE 31 HG23 ILE 31 10.689 -1.782 -11.072 259 HD11 ILE 31 HD11 ILE 31 10.059 -0.911 -8.313 260 HD12 ILE 31 HD12 ILE 31 8.521 -0.182 -7.847 261 HD13 ILE 31 HD13 ILE 31 8.777 -1.913 -7.633 262 H THR 32 H THR 32 11.190 2.083 -10.310 263 HA THR 32 HA THR 32 10.820 3.717 -12.700 264 HB THR 32 HB THR 32 12.846 4.864 -12.077 265 HG1 THR 32 HG1 THR 32 13.136 3.166 -9.828 266 HG21 THR 32 HG21 THR 32 10.557 4.996 -10.662 267 HG22 THR 32 HG22 THR 32 11.957 6.019 -10.341 268 HG23 THR 32 HG23 THR 32 11.685 4.567 -9.377 269 H LYS 33 H LYS 33 12.758 3.892 -14.186 270 HA LYS 33 HA LYS 33 13.220 1.457 -15.457 271 HB2 LYS 33 HB2 LYS 33 14.596 4.127 -15.610 272 HB3 LYS 33 HB3 LYS 33 15.151 2.762 -16.570 273 HG2 LYS 33 HG2 LYS 33 13.742 3.686 -18.077 274 HG3 LYS 33 HG3 LYS 33 12.575 2.676 -17.220 275 HD2 LYS 33 HD2 LYS 33 11.676 4.905 -17.509 276 HD3 LYS 33 HD3 LYS 33 11.993 4.607 -15.798 277 HE2 LYS 33 HE2 LYS 33 13.411 6.319 -15.692 278 HE3 LYS 33 HE3 LYS 33 14.306 5.740 -17.096 279 HZ1 LYS 33 HZ1 LYS 33 11.740 6.980 -17.653 280 HZ2 LYS 33 HZ2 LYS 33 13.212 7.120 -18.474 281 HZ3 LYS 33 HZ3 LYS 33 12.941 8.018 -17.066 282 H GLU 34 H GLU 34 14.970 3.047 -12.895 283 HA GLU 34 HA GLU 34 17.450 1.891 -12.996 284 HB2 GLU 34 HB2 GLU 34 15.817 2.245 -10.478 285 HB3 GLU 34 HB3 GLU 34 17.570 2.158 -10.586 286 HG2 GLU 34 HG2 GLU 34 17.058 4.218 -12.263 287 HG3 GLU 34 HG3 GLU 34 15.753 4.402 -11.092 288 H LEU 35 H LEU 35 14.427 0.426 -11.975 289 HA LEU 35 HA LEU 35 15.693 -2.000 -11.063 290 HB2 LEU 35 HB2 LEU 35 13.156 -0.776 -10.794 291 HB3 LEU 35 HB3 LEU 35 12.904 -2.349 -11.548 292 HG LEU 35 HG LEU 35 14.155 -3.381 -9.654 293 HD11 LEU 35 HD11 LEU 35 15.492 -1.643 -8.821 294 HD12 LEU 35 HD12 LEU 35 14.271 -1.915 -7.578 295 HD13 LEU 35 HD13 LEU 35 14.121 -0.542 -8.675 296 HD21 LEU 35 HD21 LEU 35 11.611 -3.035 -9.819 297 HD22 LEU 35 HD22 LEU 35 11.847 -1.789 -8.593 298 HD23 LEU 35 HD23 LEU 35 12.299 -3.460 -8.251 299 H TYR 36 H TYR 36 13.648 -1.055 -13.812 300 HA TYR 36 HA TYR 36 13.441 -3.488 -15.096 301 HB2 TYR 36 HB2 TYR 36 12.181 -1.993 -16.240 302 HB3 TYR 36 HB3 TYR 36 13.279 -0.659 -15.904 303 HD1 TYR 36 HD1 TYR 36 13.160 -3.794 -17.940 304 HD2 TYR 36 HD2 TYR 36 14.429 0.259 -17.681 305 HE1 TYR 36 HE1 TYR 36 14.002 -3.916 -20.248 306 HE2 TYR 36 HE2 TYR 36 15.273 0.148 -19.989 307 HH TYR 36 HH TYR 36 15.522 -2.830 -21.713 308 H ILE 37 H ILE 37 16.101 -1.176 -15.151 309 HA ILE 37 HA ILE 37 17.600 -2.632 -17.123 310 HB ILE 37 HB ILE 37 18.288 -0.320 -15.322 311 HG12 ILE 37 HG12 ILE 37 18.711 0.237 -18.055 312 HG13 ILE 37 HG13 ILE 37 17.182 -0.629 -17.963 313 HG21 ILE 37 HG21 ILE 37 20.326 -1.527 -15.494 314 HG22 ILE 37 HG22 ILE 37 20.078 -1.828 -17.213 315 HG23 ILE 37 HG23 ILE 37 20.424 -0.195 -16.645 316 HD11 ILE 37 HD11 ILE 37 16.139 1.148 -17.151 317 HD12 ILE 37 HD12 ILE 37 17.378 1.403 -15.921 318 HD13 ILE 37 HD13 ILE 37 17.591 2.070 -17.539 319 H GLU 38 H GLU 38 18.034 -2.027 -13.635 320 HA GLU 38 HA GLU 38 20.260 -3.604 -13.207 321 HB2 GLU 38 HB2 GLU 38 18.024 -2.634 -11.525 322 HB3 GLU 38 HB3 GLU 38 18.949 -3.983 -10.881 323 HG2 GLU 38 HG2 GLU 38 20.568 -1.783 -11.942 324 HG3 GLU 38 HG3 GLU 38 19.577 -1.371 -10.543 325 H LEU 39 H LEU 39 16.869 -4.597 -12.705 326 HA LEU 39 HA LEU 39 17.327 -7.267 -12.140 327 HB2 LEU 39 HB2 LEU 39 15.040 -5.755 -13.301 328 HB3 LEU 39 HB3 LEU 39 14.986 -7.516 -13.323 329 HG LEU 39 HG LEU 39 13.792 -6.435 -11.406 330 HD11 LEU 39 HD11 LEU 39 16.088 -8.257 -10.700 331 HD12 LEU 39 HD12 LEU 39 14.524 -8.765 -11.334 332 HD13 LEU 39 HD13 LEU 39 14.626 -8.008 -9.745 333 HD21 LEU 39 HD21 LEU 39 15.335 -4.607 -10.986 334 HD22 LEU 39 HD22 LEU 39 16.604 -5.752 -10.550 335 HD23 LEU 39 HD23 LEU 39 15.162 -5.607 -9.544 336 H SER 40 H SER 40 16.795 -5.736 -15.299 337 HA SER 40 HA SER 40 16.798 -8.015 -16.885 338 HB2 SER 40 HB2 SER 40 16.215 -6.128 -18.080 339 HB3 SER 40 HB3 SER 40 17.486 -5.145 -17.354 340 HG SER 40 HG SER 40 17.574 -6.827 -19.560 341 H SER 41 H SER 41 19.582 -5.805 -16.773 342 HA SER 41 HA SER 41 21.823 -6.175 -16.911 343 HB2 SER 41 HB2 SER 41 20.886 -8.476 -15.228 344 HB3 SER 41 HB3 SER 41 22.576 -8.383 -15.724 345 HG SER 41 HG SER 41 22.598 -7.245 -13.904 346 H ASP 42 H ASP 42 20.552 -6.729 -19.226 347 HA ASP 42 HA ASP 42 21.900 -9.167 -20.190 348 HB2 ASP 42 HB2 ASP 42 19.213 -8.775 -20.223 349 HB3 ASP 42 HB3 ASP 42 19.655 -8.111 -21.794 350 H LEU 43 H LEU 43 23.389 -8.898 -21.721 351 HA LEU 43 HA LEU 43 23.840 -6.232 -22.782 352 HB2 LEU 43 HB2 LEU 43 25.423 -8.781 -23.065 353 HB3 LEU 43 HB3 LEU 43 25.919 -7.209 -23.688 354 HG LEU 43 HG LEU 43 25.491 -7.809 -20.764 355 HD11 LEU 43 HD11 LEU 43 28.042 -7.750 -22.367 356 HD12 LEU 43 HD12 LEU 43 27.319 -9.161 -21.595 357 HD13 LEU 43 HD13 LEU 43 27.942 -7.838 -20.609 358 HD21 LEU 43 HD21 LEU 43 26.834 -5.501 -22.165 359 HD22 LEU 43 HD22 LEU 43 26.689 -5.720 -20.421 360 HD23 LEU 43 HD23 LEU 43 25.246 -5.455 -21.401 Start of MODEL 12 1 H1 MET 1 H MET 1 2.719 3.999 -3.483 2 HA MET 1 HA MET 1 2.476 2.659 -1.418 3 HB2 MET 1 HB2 MET 1 0.793 1.525 -3.655 4 HB3 MET 1 HB3 MET 1 0.391 1.569 -1.943 5 HG2 MET 1 HG2 MET 1 0.714 4.177 -2.343 6 HG3 MET 1 HG3 MET 1 0.268 3.707 -3.982 7 HE1 MET 1 HE1 MET 1 -1.389 1.695 -4.108 8 HE2 MET 1 HE2 MET 1 -2.874 1.568 -3.166 9 HE3 MET 1 HE3 MET 1 -2.728 2.799 -4.422 10 H ASN 2 H ASN 2 2.568 0.556 -4.303 11 HA ASN 2 HA ASN 2 3.828 -1.515 -2.635 12 HB2 ASN 2 HB2 ASN 2 2.921 -3.163 -4.120 13 HB3 ASN 2 HB3 ASN 2 1.615 -2.056 -3.707 14 HD21 ASN 2 HD21 ASN 2 0.580 -1.004 -5.287 15 HD22 ASN 2 HD22 ASN 2 0.999 -1.082 -6.961 16 H LYS 3 H LYS 3 5.449 -2.878 -3.675 17 HA LYS 3 HA LYS 3 6.663 -2.311 -6.125 18 HB2 LYS 3 HB2 LYS 3 7.209 -0.309 -4.278 19 HB3 LYS 3 HB3 LYS 3 8.637 -1.335 -4.219 20 HG2 LYS 3 HG2 LYS 3 7.794 -0.815 -6.939 21 HG3 LYS 3 HG3 LYS 3 8.116 0.672 -6.045 22 HD2 LYS 3 HD2 LYS 3 10.242 -0.802 -5.292 23 HD3 LYS 3 HD3 LYS 3 9.959 -1.470 -6.901 24 HE2 LYS 3 HE2 LYS 3 11.164 0.261 -7.644 25 HE3 LYS 3 HE3 LYS 3 9.725 1.229 -7.325 26 HZ1 LYS 3 HZ1 LYS 3 11.797 0.753 -5.265 27 HZ2 LYS 3 HZ2 LYS 3 10.578 1.926 -5.270 28 HZ3 LYS 3 HZ3 LYS 3 11.879 2.055 -6.343 29 H GLU 4 H GLU 4 7.085 -3.378 -2.803 30 HA GLU 4 HA GLU 4 9.240 -5.179 -3.470 31 HB2 GLU 4 HB2 GLU 4 7.689 -4.583 -0.968 32 HB3 GLU 4 HB3 GLU 4 8.745 -5.986 -1.054 33 HG2 GLU 4 HG2 GLU 4 10.471 -4.174 -1.912 34 HG3 GLU 4 HG3 GLU 4 9.418 -3.102 -0.991 35 H HIS 5 H HIS 5 5.780 -5.378 -2.854 36 HA HIS 5 HA HIS 5 5.696 -8.243 -2.913 37 HB2 HIS 5 HB2 HIS 5 4.032 -6.680 -1.756 38 HB3 HIS 5 HB3 HIS 5 3.351 -6.400 -3.357 39 HD1 HIS 5 HD1 HIS 5 4.360 -9.582 -1.511 40 HD2 HIS 5 HD2 HIS 5 1.156 -7.943 -3.587 41 HE1 HIS 5 HE1 HIS 5 2.592 -11.371 -1.542 42 H ILE 6 H ILE 6 4.908 -5.655 -5.203 43 HA ILE 6 HA ILE 6 3.874 -7.210 -7.266 44 HB ILE 6 HB ILE 6 3.901 -4.690 -7.148 45 HG12 ILE 6 HG12 ILE 6 4.803 -6.013 -9.715 46 HG13 ILE 6 HG13 ILE 6 3.144 -5.862 -9.148 47 HG21 ILE 6 HG21 ILE 6 5.776 -3.466 -7.923 48 HG22 ILE 6 HG22 ILE 6 6.377 -4.585 -6.701 49 HG23 ILE 6 HG23 ILE 6 6.620 -4.935 -8.412 50 HD11 ILE 6 HD11 ILE 6 4.274 -3.269 -9.222 51 HD12 ILE 6 HD12 ILE 6 4.637 -4.073 -10.749 52 HD13 ILE 6 HD13 ILE 6 2.967 -3.933 -10.201 53 H LEU 7 H LEU 7 7.201 -6.563 -6.356 54 HA LEU 7 HA LEU 7 8.535 -7.402 -8.638 55 HB2 LEU 7 HB2 LEU 7 9.616 -6.356 -6.700 56 HB3 LEU 7 HB3 LEU 7 9.349 -7.827 -5.765 57 HG LEU 7 HG LEU 7 10.760 -8.645 -8.035 58 HD11 LEU 7 HD11 LEU 7 11.247 -6.212 -8.382 59 HD12 LEU 7 HD12 LEU 7 12.669 -7.233 -8.170 60 HD13 LEU 7 HD13 LEU 7 12.099 -6.229 -6.837 61 HD21 LEU 7 HD21 LEU 7 11.162 -8.427 -5.133 62 HD22 LEU 7 HD22 LEU 7 12.642 -8.528 -6.088 63 HD23 LEU 7 HD23 LEU 7 11.419 -9.793 -6.218 64 H ALA 8 H ALA 8 6.932 -9.271 -6.168 65 HA ALA 8 HA ALA 8 8.085 -11.782 -6.678 66 HB1 ALA 8 HB1 ALA 8 5.338 -11.090 -5.646 67 HB2 ALA 8 HB2 ALA 8 6.053 -12.703 -5.612 68 HB3 ALA 8 HB3 ALA 8 6.785 -11.393 -4.684 69 H GLN 9 H GLN 9 5.484 -10.031 -8.251 70 HA GLN 9 HA GLN 9 4.453 -12.184 -9.764 71 HB2 GLN 9 HB2 GLN 9 4.414 -9.239 -10.442 72 HB3 GLN 9 HB3 GLN 9 3.363 -10.476 -11.118 73 HG2 GLN 9 HG2 GLN 9 3.433 -9.929 -8.175 74 HG3 GLN 9 HG3 GLN 9 2.438 -8.970 -9.270 75 HE21 GLN 9 HE21 GLN 9 2.736 -11.877 -7.533 76 HE22 GLN 9 HE22 GLN 9 1.275 -12.626 -8.072 77 H LYS 10 H LYS 10 6.570 -9.496 -10.779 78 HA LYS 10 HA LYS 10 7.140 -10.431 -13.332 79 HB2 LYS 10 HB2 LYS 10 9.264 -9.059 -13.095 80 HB3 LYS 10 HB3 LYS 10 7.752 -8.205 -12.815 81 HG2 LYS 10 HG2 LYS 10 8.074 -8.318 -10.432 82 HG3 LYS 10 HG3 LYS 10 9.520 -9.308 -10.642 83 HD2 LYS 10 HD2 LYS 10 9.720 -6.889 -12.190 84 HD3 LYS 10 HD3 LYS 10 9.370 -6.514 -10.501 85 HE2 LYS 10 HE2 LYS 10 11.727 -6.589 -10.692 86 HE3 LYS 10 HE3 LYS 10 11.249 -8.085 -9.891 87 HZ1 LYS 10 HZ1 LYS 10 12.413 -9.124 -11.449 88 HZ2 LYS 10 HZ2 LYS 10 12.602 -7.720 -12.372 89 HZ3 LYS 10 HZ3 LYS 10 11.221 -8.679 -12.564 90 H GLU 11 H GLU 11 8.317 -11.499 -10.263 91 HA GLU 11 HA GLU 11 10.694 -12.766 -11.159 92 HB2 GLU 11 HB2 GLU 11 9.299 -12.431 -8.690 93 HB3 GLU 11 HB3 GLU 11 9.656 -14.140 -8.896 94 HG2 GLU 11 HG2 GLU 11 11.625 -11.866 -8.932 95 HG3 GLU 11 HG3 GLU 11 11.435 -13.089 -7.677 96 H VAL 12 H VAL 12 7.351 -13.630 -11.241 97 HA VAL 12 HA VAL 12 7.954 -16.430 -11.828 98 HB VAL 12 HB VAL 12 5.214 -15.182 -11.748 99 HG11 VAL 12 HG11 VAL 12 6.309 -17.884 -12.012 100 HG12 VAL 12 HG12 VAL 12 5.025 -17.737 -10.811 101 HG13 VAL 12 HG13 VAL 12 4.733 -17.246 -12.480 102 HG21 VAL 12 HG21 VAL 12 5.802 -14.655 -9.611 103 HG22 VAL 12 HG22 VAL 12 5.328 -16.335 -9.358 104 HG23 VAL 12 HG23 VAL 12 7.033 -15.915 -9.519 105 H LEU 13 H LEU 13 6.319 -13.640 -13.303 106 HA LEU 13 HA LEU 13 5.525 -14.750 -15.693 107 HB2 LEU 13 HB2 LEU 13 6.407 -12.014 -14.898 108 HB3 LEU 13 HB3 LEU 13 6.109 -12.360 -16.600 109 HG LEU 13 HG LEU 13 3.800 -12.927 -16.108 110 HD11 LEU 13 HD11 LEU 13 4.230 -13.840 -13.838 111 HD12 LEU 13 HD12 LEU 13 2.855 -12.739 -13.915 112 HD13 LEU 13 HD13 LEU 13 4.391 -12.185 -13.249 113 HD21 LEU 13 HD21 LEU 13 4.632 -10.303 -14.875 114 HD22 LEU 13 HD22 LEU 13 3.008 -10.713 -15.429 115 HD23 LEU 13 HD23 LEU 13 4.334 -10.599 -16.588 116 H THR 14 H THR 14 6.449 -14.678 -17.829 117 HA THR 14 HA THR 14 8.976 -15.829 -18.018 118 HB THR 14 HB THR 14 8.677 -14.761 -20.508 119 HG1 THR 14 HG1 THR 14 6.532 -14.500 -20.941 120 HG21 THR 14 HG21 THR 14 6.937 -17.079 -19.860 121 HG22 THR 14 HG22 THR 14 8.653 -17.218 -19.477 122 HG23 THR 14 HG23 THR 14 8.142 -16.890 -21.132 123 HA PRO 15 HA PRO 15 11.928 -12.582 -18.029 124 HB2 PRO 15 HB2 PRO 15 13.626 -13.321 -20.014 125 HB3 PRO 15 HB3 PRO 15 13.537 -14.163 -18.463 126 HG2 PRO 15 HG2 PRO 15 12.299 -14.894 -21.088 127 HG3 PRO 15 HG3 PRO 15 13.119 -15.935 -19.910 128 HD2 PRO 15 HD2 PRO 15 10.422 -15.786 -20.093 129 HD3 PRO 15 HD3 PRO 15 11.260 -16.081 -18.556 130 H ILE 16 H ILE 16 10.401 -13.333 -21.099 131 HA ILE 16 HA ILE 16 11.222 -10.834 -22.310 132 HB ILE 16 HB ILE 16 9.604 -13.177 -23.232 133 HG12 ILE 16 HG12 ILE 16 12.079 -13.139 -23.465 134 HG13 ILE 16 HG13 ILE 16 11.249 -13.231 -25.014 135 HG21 ILE 16 HG21 ILE 16 8.234 -11.414 -24.000 136 HG22 ILE 16 HG22 ILE 16 9.625 -10.432 -24.458 137 HG23 ILE 16 HG23 ILE 16 9.231 -11.885 -25.376 138 HD11 ILE 16 HD11 ILE 16 13.222 -11.424 -24.255 139 HD12 ILE 16 HD12 ILE 16 12.235 -11.381 -25.716 140 HD13 ILE 16 HD13 ILE 16 11.724 -10.494 -24.280 141 H GLU 17 H GLU 17 8.377 -12.201 -20.782 142 HA GLU 17 HA GLU 17 6.649 -10.027 -21.514 143 HB2 GLU 17 HB2 GLU 17 5.726 -12.247 -21.107 144 HB3 GLU 17 HB3 GLU 17 6.322 -12.214 -19.454 145 HG2 GLU 17 HG2 GLU 17 4.724 -10.713 -18.761 146 HG3 GLU 17 HG3 GLU 17 4.462 -10.080 -20.385 147 H TYR 18 H TYR 18 8.614 -10.893 -18.733 148 HA TYR 18 HA TYR 18 7.619 -9.060 -16.878 149 HB2 TYR 18 HB2 TYR 18 9.083 -10.328 -15.733 150 HB3 TYR 18 HB3 TYR 18 10.018 -10.701 -17.176 151 HD1 TYR 18 HD1 TYR 18 9.426 -7.926 -14.750 152 HD2 TYR 18 HD2 TYR 18 12.163 -9.843 -17.385 153 HE1 TYR 18 HE1 TYR 18 11.217 -6.434 -13.966 154 HE2 TYR 18 HE2 TYR 18 13.961 -8.357 -16.607 155 HH TYR 18 HH TYR 18 13.928 -5.852 -15.500 156 H GLU 19 H GLU 19 10.111 -8.688 -19.362 157 HA GLU 19 HA GLU 19 11.105 -6.198 -18.708 158 HB2 GLU 19 HB2 GLU 19 10.790 -7.708 -21.254 159 HB3 GLU 19 HB3 GLU 19 11.200 -6.002 -21.367 160 HG2 GLU 19 HG2 GLU 19 13.179 -6.349 -20.029 161 HG3 GLU 19 HG3 GLU 19 12.752 -8.042 -19.791 162 H HIS 20 H HIS 20 8.071 -7.033 -20.239 163 HA HIS 20 HA HIS 20 7.442 -4.263 -20.839 164 HB2 HIS 20 HB2 HIS 20 5.987 -6.868 -21.256 165 HB3 HIS 20 HB3 HIS 20 5.206 -5.314 -21.537 166 HD1 HIS 20 HD1 HIS 20 5.328 -4.579 -23.885 167 HD2 HIS 20 HD2 HIS 20 8.561 -6.979 -22.860 168 HE1 HIS 20 HE1 HIS 20 6.683 -4.816 -25.990 169 H TYR 21 H TYR 21 6.803 -6.629 -18.382 170 HA TYR 21 HA TYR 21 4.480 -5.644 -17.231 171 HB2 TYR 21 HB2 TYR 21 4.973 -7.503 -16.066 172 HB3 TYR 21 HB3 TYR 21 6.695 -7.356 -16.402 173 HD1 TYR 21 HD1 TYR 21 4.042 -6.729 -14.005 174 HD2 TYR 21 HD2 TYR 21 8.135 -6.003 -14.911 175 HE1 TYR 21 HE1 TYR 21 4.432 -6.053 -11.672 176 HE2 TYR 21 HE2 TYR 21 8.537 -5.326 -12.581 177 HH TYR 21 HH TYR 21 7.636 -5.474 -10.439 178 H VAL 22 H VAL 22 7.746 -4.428 -17.079 179 HA VAL 22 HA VAL 22 7.197 -2.583 -14.928 180 HB VAL 22 HB VAL 22 9.574 -2.872 -16.766 181 HG11 VAL 22 HG11 VAL 22 8.858 -0.767 -14.833 182 HG12 VAL 22 HG12 VAL 22 10.502 -1.395 -14.712 183 HG13 VAL 22 HG13 VAL 22 9.928 -0.708 -16.232 184 HG21 VAL 22 HG21 VAL 22 8.970 -3.728 -13.956 185 HG22 VAL 22 HG22 VAL 22 9.570 -4.694 -15.304 186 HG23 VAL 22 HG23 VAL 22 10.630 -3.525 -14.517 187 H LYS 23 H LYS 23 6.917 -2.611 -18.352 188 HA LYS 23 HA LYS 23 7.183 0.137 -18.905 189 HB2 LYS 23 HB2 LYS 23 5.521 -1.963 -20.309 190 HB3 LYS 23 HB3 LYS 23 5.881 -0.367 -20.955 191 HG2 LYS 23 HG2 LYS 23 8.061 -2.276 -20.187 192 HG3 LYS 23 HG3 LYS 23 7.286 -2.334 -21.772 193 HD2 LYS 23 HD2 LYS 23 7.855 0.335 -21.479 194 HD3 LYS 23 HD3 LYS 23 9.238 -0.441 -20.703 195 HE2 LYS 23 HE2 LYS 23 8.220 -1.046 -23.478 196 HE3 LYS 23 HE3 LYS 23 9.612 -0.031 -23.102 197 HZ1 LYS 23 HZ1 LYS 23 10.128 -2.385 -23.719 198 HZ2 LYS 23 HZ2 LYS 23 9.410 -2.868 -22.266 199 HZ3 LYS 23 HZ3 LYS 23 10.781 -1.877 -22.243 200 H HIS 24 H HIS 24 4.461 -1.805 -17.810 201 HA HIS 24 HA HIS 24 2.531 0.289 -18.093 202 HB2 HIS 24 HB2 HIS 24 1.498 -1.772 -18.132 203 HB3 HIS 24 HB3 HIS 24 2.559 -2.446 -16.898 204 HD1 HIS 24 HD1 HIS 24 0.132 0.492 -16.815 205 HD2 HIS 24 HD2 HIS 24 1.001 -3.021 -14.775 206 HE1 HIS 24 HE1 HIS 24 -1.473 0.424 -14.879 207 H LEU 25 H LEU 25 4.614 -0.873 -15.522 208 HA LEU 25 HA LEU 25 3.470 0.339 -13.315 209 HB2 LEU 25 HB2 LEU 25 6.241 -0.423 -14.070 210 HB3 LEU 25 HB3 LEU 25 6.021 0.600 -12.652 211 HG LEU 25 HG LEU 25 5.142 -1.082 -11.406 212 HD11 LEU 25 HD11 LEU 25 3.910 -3.021 -12.381 213 HD12 LEU 25 HD12 LEU 25 4.066 -2.255 -13.962 214 HD13 LEU 25 HD13 LEU 25 3.159 -1.453 -12.680 215 HD21 LEU 25 HD21 LEU 25 6.665 -2.721 -11.499 216 HD22 LEU 25 HD22 LEU 25 7.337 -1.810 -12.852 217 HD23 LEU 25 HD23 LEU 25 6.238 -3.157 -13.154 218 H PHE 26 H PHE 26 5.862 1.702 -15.567 219 HA PHE 26 HA PHE 26 6.340 4.141 -14.454 220 HB2 PHE 26 HB2 PHE 26 5.857 3.595 -17.391 221 HB3 PHE 26 HB3 PHE 26 6.689 5.003 -16.739 222 HD1 PHE 26 HD1 PHE 26 7.295 2.144 -18.413 223 HD2 PHE 26 HD2 PHE 26 8.541 4.101 -14.845 224 HE1 PHE 26 HE1 PHE 26 9.424 0.912 -18.485 225 HE2 PHE 26 HE2 PHE 26 10.672 2.874 -14.911 226 HZ PHE 26 HZ PHE 26 11.116 1.277 -16.733 227 H ASP 27 H ASP 27 3.429 3.097 -16.096 228 HA ASP 27 HA ASP 27 2.161 5.489 -16.604 229 HB2 ASP 27 HB2 ASP 27 1.383 3.056 -17.042 230 HB3 ASP 27 HB3 ASP 27 0.652 3.162 -15.443 231 H ILE 28 H ILE 28 2.074 3.614 -13.580 232 HA ILE 28 HA ILE 28 0.793 5.865 -12.226 233 HB ILE 28 HB ILE 28 0.324 4.408 -10.423 234 HG12 ILE 28 HG12 ILE 28 2.309 2.516 -11.694 235 HG13 ILE 28 HG13 ILE 28 2.460 3.329 -10.140 236 HG21 ILE 28 HG21 ILE 28 0.018 2.432 -12.617 237 HG22 ILE 28 HG22 ILE 28 -1.156 2.997 -11.429 238 HG23 ILE 28 HG23 ILE 28 -0.743 4.010 -12.812 239 HD11 ILE 28 HD11 ILE 28 0.420 1.226 -10.825 240 HD12 ILE 28 HD12 ILE 28 1.889 0.978 -9.880 241 HD13 ILE 28 HD13 ILE 28 0.610 2.023 -9.263 242 H GLY 29 H GLY 29 3.845 4.210 -12.445 243 HA2 GLY 29 HA2 GLY 29 5.893 5.251 -11.849 244 HA3 GLY 29 HA3 GLY 29 5.019 6.252 -10.699 245 H GLU 30 H GLU 30 4.539 2.797 -10.902 246 HA GLU 30 HA GLU 30 5.059 2.432 -8.144 247 HB2 GLU 30 HB2 GLU 30 3.825 0.967 -10.136 248 HB3 GLU 30 HB3 GLU 30 5.252 0.009 -9.765 249 HG2 GLU 30 HG2 GLU 30 3.154 -0.546 -8.482 250 HG3 GLU 30 HG3 GLU 30 4.612 -0.281 -7.528 251 H ILE 31 H ILE 31 6.771 0.942 -10.897 252 HA ILE 31 HA ILE 31 9.222 0.979 -9.262 253 HB ILE 31 HB ILE 31 8.465 -0.873 -11.524 254 HG12 ILE 31 HG12 ILE 31 8.836 -1.349 -8.559 255 HG13 ILE 31 HG13 ILE 31 7.309 -1.381 -9.433 256 HG21 ILE 31 HG21 ILE 31 10.569 -2.038 -11.016 257 HG22 ILE 31 HG22 ILE 31 10.839 -0.393 -11.589 258 HG23 ILE 31 HG23 ILE 31 10.983 -0.763 -9.871 259 HD11 ILE 31 HD11 ILE 31 7.677 -3.593 -9.435 260 HD12 ILE 31 HD12 ILE 31 8.696 -3.218 -10.825 261 HD13 ILE 31 HD13 ILE 31 9.419 -3.412 -9.229 262 H THR 32 H THR 32 11.127 1.732 -10.125 263 HA THR 32 HA THR 32 10.843 3.364 -12.541 264 HB THR 32 HB THR 32 12.784 4.583 -11.825 265 HG1 THR 32 HG1 THR 32 13.057 2.446 -9.986 266 HG21 THR 32 HG21 THR 32 11.037 4.031 -9.423 267 HG22 THR 32 HG22 THR 32 10.658 5.158 -10.725 268 HG23 THR 32 HG23 THR 32 12.043 5.456 -9.675 269 H LYS 33 H LYS 33 12.850 3.538 -13.922 270 HA LYS 33 HA LYS 33 13.429 1.109 -15.128 271 HB2 LYS 33 HB2 LYS 33 14.414 3.862 -15.322 272 HB3 LYS 33 HB3 LYS 33 15.615 2.657 -15.764 273 HG2 LYS 33 HG2 LYS 33 14.642 2.302 -17.722 274 HG3 LYS 33 HG3 LYS 33 13.069 2.047 -16.964 275 HD2 LYS 33 HD2 LYS 33 14.292 4.725 -17.633 276 HD3 LYS 33 HD3 LYS 33 13.017 3.916 -18.548 277 HE2 LYS 33 HE2 LYS 33 12.181 3.989 -15.855 278 HE3 LYS 33 HE3 LYS 33 12.801 5.594 -16.241 279 HZ1 LYS 33 HZ1 LYS 33 11.281 5.814 -18.005 280 HZ2 LYS 33 HZ2 LYS 33 10.379 5.204 -16.712 281 HZ3 LYS 33 HZ3 LYS 33 10.856 4.177 -17.968 282 H GLU 34 H GLU 34 14.979 2.693 -12.437 283 HA GLU 34 HA GLU 34 17.453 1.505 -12.355 284 HB2 GLU 34 HB2 GLU 34 17.077 3.080 -10.685 285 HB3 GLU 34 HB3 GLU 34 15.544 2.361 -10.212 286 HG2 GLU 34 HG2 GLU 34 16.509 0.879 -8.813 287 HG3 GLU 34 HG3 GLU 34 17.943 0.692 -9.822 288 H LEU 35 H LEU 35 14.338 0.105 -11.559 289 HA LEU 35 HA LEU 35 15.533 -2.342 -10.560 290 HB2 LEU 35 HB2 LEU 35 13.129 -1.045 -10.133 291 HB3 LEU 35 HB3 LEU 35 12.682 -2.433 -11.123 292 HG LEU 35 HG LEU 35 13.937 -3.847 -9.408 293 HD11 LEU 35 HD11 LEU 35 15.203 -2.338 -8.177 294 HD12 LEU 35 HD12 LEU 35 13.847 -2.695 -7.107 295 HD13 LEU 35 HD13 LEU 35 13.872 -1.191 -8.027 296 HD21 LEU 35 HD21 LEU 35 11.367 -3.322 -9.671 297 HD22 LEU 35 HD22 LEU 35 11.606 -2.523 -8.117 298 HD23 LEU 35 HD23 LEU 35 11.980 -4.238 -8.294 299 H TYR 36 H TYR 36 13.455 -1.386 -13.288 300 HA TYR 36 HA TYR 36 13.219 -3.810 -14.568 301 HB2 TYR 36 HB2 TYR 36 11.970 -2.311 -15.713 302 HB3 TYR 36 HB3 TYR 36 13.077 -0.984 -15.379 303 HD1 TYR 36 HD1 TYR 36 14.282 -0.090 -17.138 304 HD2 TYR 36 HD2 TYR 36 12.873 -4.093 -17.443 305 HE1 TYR 36 HE1 TYR 36 15.118 -0.202 -19.448 306 HE2 TYR 36 HE2 TYR 36 13.706 -4.216 -19.754 307 HH TYR 36 HH TYR 36 14.225 -2.583 -21.612 308 H ILE 37 H ILE 37 15.857 -1.460 -14.820 309 HA ILE 37 HA ILE 37 17.329 -3.007 -16.729 310 HB ILE 37 HB ILE 37 18.002 -0.595 -15.068 311 HG12 ILE 37 HG12 ILE 37 18.453 -0.351 -17.889 312 HG13 ILE 37 HG13 ILE 37 16.854 -1.036 -17.623 313 HG21 ILE 37 HG21 ILE 37 20.058 -1.764 -15.105 314 HG22 ILE 37 HG22 ILE 37 19.847 -2.226 -16.793 315 HG23 ILE 37 HG23 ILE 37 20.162 -0.543 -16.373 316 HD11 ILE 37 HD11 ILE 37 16.065 0.850 -16.616 317 HD12 ILE 37 HD12 ILE 37 17.658 1.342 -16.038 318 HD13 ILE 37 HD13 ILE 37 17.232 1.554 -17.736 319 H GLU 38 H GLU 38 17.798 -2.279 -13.270 320 HA GLU 38 HA GLU 38 20.063 -3.773 -12.799 321 HB2 GLU 38 HB2 GLU 38 19.172 -2.347 -11.085 322 HB3 GLU 38 HB3 GLU 38 17.682 -3.277 -11.011 323 HG2 GLU 38 HG2 GLU 38 18.540 -4.683 -9.531 324 HG3 GLU 38 HG3 GLU 38 19.971 -4.956 -10.522 325 H LEU 39 H LEU 39 16.712 -4.893 -12.297 326 HA LEU 39 HA LEU 39 17.277 -7.535 -11.694 327 HB2 LEU 39 HB2 LEU 39 14.931 -6.139 -12.887 328 HB3 LEU 39 HB3 LEU 39 14.950 -7.901 -12.863 329 HG LEU 39 HG LEU 39 13.708 -6.834 -10.976 330 HD11 LEU 39 HD11 LEU 39 16.087 -8.564 -10.322 331 HD12 LEU 39 HD12 LEU 39 14.466 -9.101 -10.762 332 HD13 LEU 39 HD13 LEU 39 14.732 -8.268 -9.231 333 HD21 LEU 39 HD21 LEU 39 15.128 -4.912 -10.598 334 HD22 LEU 39 HD22 LEU 39 16.479 -5.960 -10.164 335 HD23 LEU 39 HD23 LEU 39 15.048 -5.892 -9.134 336 H SER 40 H SER 40 16.677 -6.074 -14.874 337 HA SER 40 HA SER 40 16.838 -8.418 -16.393 338 HB2 SER 40 HB2 SER 40 17.218 -5.508 -16.989 339 HB3 SER 40 HB3 SER 40 17.649 -6.698 -18.216 340 HG SER 40 HG SER 40 15.592 -7.230 -18.453 341 H SER 41 H SER 41 19.350 -5.900 -16.427 342 HA SER 41 HA SER 41 21.616 -6.014 -16.607 343 HB2 SER 41 HB2 SER 41 21.002 -8.399 -14.889 344 HB3 SER 41 HB3 SER 41 22.656 -8.087 -15.414 345 HG SER 41 HG SER 41 22.205 -7.105 -13.401 346 H ASP 42 H ASP 42 20.071 -7.012 -18.778 347 HA ASP 42 HA ASP 42 21.644 -9.285 -19.759 348 HB2 ASP 42 HB2 ASP 42 19.939 -9.643 -21.379 349 HB3 ASP 42 HB3 ASP 42 19.110 -9.307 -19.862 350 H LEU 43 H LEU 43 20.841 -5.935 -20.463 351 HA LEU 43 HA LEU 43 22.788 -5.963 -22.669 352 HB2 LEU 43 HB2 LEU 43 21.672 -4.131 -23.626 353 HB3 LEU 43 HB3 LEU 43 20.409 -5.251 -23.121 354 HG LEU 43 HG LEU 43 20.446 -3.681 -20.963 355 HD11 LEU 43 HD11 LEU 43 21.965 -2.043 -21.378 356 HD12 LEU 43 HD12 LEU 43 20.554 -1.301 -22.130 357 HD13 LEU 43 HD13 LEU 43 21.751 -2.129 -23.127 358 HD21 LEU 43 HD21 LEU 43 18.784 -2.224 -22.520 359 HD22 LEU 43 HD22 LEU 43 18.372 -3.792 -21.827 360 HD23 LEU 43 HD23 LEU 43 18.945 -3.686 -23.492 Start of MODEL 13 1 H1 MET 1 H MET 1 5.678 -0.955 2.556 2 HA MET 1 HA MET 1 5.354 -2.714 0.982 3 HB2 MET 1 HB2 MET 1 2.982 -3.317 0.368 4 HB3 MET 1 HB3 MET 1 3.466 -3.740 2.005 5 HG2 MET 1 HG2 MET 1 1.864 -2.495 2.891 6 HG3 MET 1 HG3 MET 1 2.309 -1.101 1.908 7 HE1 MET 1 HE1 MET 1 -1.221 -0.819 1.036 8 HE2 MET 1 HE2 MET 1 -1.160 -1.873 2.448 9 HE3 MET 1 HE3 MET 1 -0.015 -0.541 2.292 10 H ASN 2 H ASN 2 6.113 -1.661 -0.741 11 HA ASN 2 HA ASN 2 4.351 0.316 -2.034 12 HB2 ASN 2 HB2 ASN 2 7.375 0.338 -1.906 13 HB3 ASN 2 HB3 ASN 2 6.391 1.475 -2.822 14 HD21 ASN 2 HD21 ASN 2 4.784 2.712 -1.545 15 HD22 ASN 2 HD22 ASN 2 5.245 3.234 0.036 16 H LYS 3 H LYS 3 7.023 -1.964 -2.597 17 HA LYS 3 HA LYS 3 5.714 -2.882 -5.022 18 HB2 LYS 3 HB2 LYS 3 7.955 -2.682 -6.258 19 HB3 LYS 3 HB3 LYS 3 7.001 -1.218 -6.058 20 HG2 LYS 3 HG2 LYS 3 8.531 -0.243 -4.728 21 HG3 LYS 3 HG3 LYS 3 8.957 -1.756 -3.926 22 HD2 LYS 3 HD2 LYS 3 10.826 -1.768 -5.137 23 HD3 LYS 3 HD3 LYS 3 9.824 -2.065 -6.559 24 HE2 LYS 3 HE2 LYS 3 11.213 -0.174 -7.016 25 HE3 LYS 3 HE3 LYS 3 9.562 0.404 -6.799 26 HZ1 LYS 3 HZ1 LYS 3 10.071 1.394 -4.816 27 HZ2 LYS 3 HZ2 LYS 3 11.537 1.598 -5.633 28 HZ3 LYS 3 HZ3 LYS 3 11.372 0.364 -4.488 29 H GLU 4 H GLU 4 6.324 -4.007 -2.407 30 HA GLU 4 HA GLU 4 8.491 -5.874 -2.815 31 HB2 GLU 4 HB2 GLU 4 6.419 -5.865 -0.618 32 HB3 GLU 4 HB3 GLU 4 7.965 -6.701 -0.611 33 HG2 GLU 4 HG2 GLU 4 9.024 -4.395 -0.820 34 HG3 GLU 4 HG3 GLU 4 7.434 -3.759 -0.405 35 H HIS 5 H HIS 5 4.966 -5.925 -2.833 36 HA HIS 5 HA HIS 5 4.826 -8.770 -3.264 37 HB2 HIS 5 HB2 HIS 5 3.072 -7.160 -2.153 38 HB3 HIS 5 HB3 HIS 5 2.533 -6.923 -3.813 39 HD1 HIS 5 HD1 HIS 5 1.322 -8.623 -1.171 40 HD2 HIS 5 HD2 HIS 5 2.582 -9.974 -4.892 41 HE1 HIS 5 HE1 HIS 5 0.174 -10.834 -1.507 42 H ILE 6 H ILE 6 4.487 -5.852 -5.228 43 HA ILE 6 HA ILE 6 3.601 -6.981 -7.602 44 HB ILE 6 HB ILE 6 3.927 -4.510 -7.066 45 HG12 ILE 6 HG12 ILE 6 4.832 -5.584 -9.746 46 HG13 ILE 6 HG13 ILE 6 3.168 -5.292 -9.251 47 HG21 ILE 6 HG21 ILE 6 6.608 -4.753 -8.341 48 HG22 ILE 6 HG22 ILE 6 5.965 -3.483 -7.302 49 HG23 ILE 6 HG23 ILE 6 6.455 -5.027 -6.606 50 HD11 ILE 6 HD11 ILE 6 4.697 -2.903 -8.915 51 HD12 ILE 6 HD12 ILE 6 4.917 -3.532 -10.548 52 HD13 ILE 6 HD13 ILE 6 3.295 -3.199 -9.942 53 H LEU 7 H LEU 7 6.800 -6.948 -6.190 54 HA LEU 7 HA LEU 7 8.368 -7.584 -8.384 55 HB2 LEU 7 HB2 LEU 7 8.693 -7.458 -5.613 56 HB3 LEU 7 HB3 LEU 7 9.180 -9.091 -6.063 57 HG LEU 7 HG LEU 7 11.102 -7.616 -5.985 58 HD11 LEU 7 HD11 LEU 7 10.251 -8.581 -8.697 59 HD12 LEU 7 HD12 LEU 7 11.356 -9.341 -7.552 60 HD13 LEU 7 HD13 LEU 7 11.841 -7.877 -8.406 61 HD21 LEU 7 HD21 LEU 7 10.243 -5.471 -6.376 62 HD22 LEU 7 HD22 LEU 7 9.478 -5.957 -7.890 63 HD23 LEU 7 HD23 LEU 7 11.234 -5.819 -7.793 64 H ALA 8 H ALA 8 6.386 -9.682 -6.359 65 HA ALA 8 HA ALA 8 7.256 -12.154 -7.353 66 HB1 ALA 8 HB1 ALA 8 5.021 -11.170 -5.762 67 HB2 ALA 8 HB2 ALA 8 4.614 -12.577 -6.744 68 HB3 ALA 8 HB3 ALA 8 5.958 -12.656 -5.605 69 H GLN 9 H GLN 9 4.931 -9.837 -8.588 70 HA GLN 9 HA GLN 9 3.630 -11.448 -10.466 71 HB2 GLN 9 HB2 GLN 9 4.271 -8.514 -10.791 72 HB3 GLN 9 HB3 GLN 9 2.954 -9.403 -11.546 73 HG2 GLN 9 HG2 GLN 9 3.264 -8.763 -8.623 74 HG3 GLN 9 HG3 GLN 9 2.092 -8.075 -9.746 75 HE21 GLN 9 HE21 GLN 9 2.945 -10.807 -7.807 76 HE22 GLN 9 HE22 GLN 9 1.454 -11.662 -7.979 77 H LYS 10 H LYS 10 6.370 -9.224 -10.990 78 HA LYS 10 HA LYS 10 6.846 -10.105 -13.648 79 HB2 LYS 10 HB2 LYS 10 8.698 -8.659 -13.647 80 HB3 LYS 10 HB3 LYS 10 7.542 -7.889 -12.568 81 HG2 LYS 10 HG2 LYS 10 8.746 -8.733 -10.638 82 HG3 LYS 10 HG3 LYS 10 9.882 -9.574 -11.696 83 HD2 LYS 10 HD2 LYS 10 11.128 -7.719 -11.519 84 HD3 LYS 10 HD3 LYS 10 9.979 -7.012 -12.656 85 HE2 LYS 10 HE2 LYS 10 8.665 -6.134 -10.810 86 HE3 LYS 10 HE3 LYS 10 9.752 -6.895 -9.650 87 HZ1 LYS 10 HZ1 LYS 10 11.027 -5.147 -11.576 88 HZ2 LYS 10 HZ2 LYS 10 11.284 -5.296 -9.911 89 HZ3 LYS 10 HZ3 LYS 10 9.990 -4.372 -10.487 90 H GLU 11 H GLU 11 7.472 -11.531 -10.668 91 HA GLU 11 HA GLU 11 9.835 -12.980 -11.566 92 HB2 GLU 11 HB2 GLU 11 8.499 -12.494 -8.987 93 HB3 GLU 11 HB3 GLU 11 9.170 -14.107 -9.174 94 HG2 GLU 11 HG2 GLU 11 11.278 -12.756 -9.999 95 HG3 GLU 11 HG3 GLU 11 10.545 -11.482 -9.026 96 H VAL 12 H VAL 12 6.416 -13.395 -11.265 97 HA VAL 12 HA VAL 12 6.575 -16.288 -11.581 98 HB VAL 12 HB VAL 12 4.122 -16.249 -11.440 99 HG11 VAL 12 HG11 VAL 12 5.942 -15.306 -9.385 100 HG12 VAL 12 HG12 VAL 12 4.282 -14.773 -9.108 101 HG13 VAL 12 HG13 VAL 12 4.640 -16.492 -9.285 102 HG21 VAL 12 HG21 VAL 12 4.176 -13.794 -12.446 103 HG22 VAL 12 HG22 VAL 12 2.840 -14.364 -11.446 104 HG23 VAL 12 HG23 VAL 12 4.108 -13.365 -10.736 105 H LEU 13 H LEU 13 7.308 -14.159 -13.669 106 HA LEU 13 HA LEU 13 5.882 -15.462 -15.872 107 HB2 LEU 13 HB2 LEU 13 5.861 -13.185 -17.018 108 HB3 LEU 13 HB3 LEU 13 4.667 -13.479 -15.755 109 HG LEU 13 HG LEU 13 6.421 -12.282 -14.227 110 HD11 LEU 13 HD11 LEU 13 8.230 -12.098 -15.765 111 HD12 LEU 13 HD12 LEU 13 7.584 -10.477 -15.510 112 HD13 LEU 13 HD13 LEU 13 7.194 -11.359 -16.987 113 HD21 LEU 13 HD21 LEU 13 5.412 -10.056 -15.009 114 HD22 LEU 13 HD22 LEU 13 4.310 -11.315 -14.450 115 HD23 LEU 13 HD23 LEU 13 4.520 -11.030 -16.178 116 H THR 14 H THR 14 6.995 -15.351 -17.914 117 HA THR 14 HA THR 14 9.680 -15.960 -17.817 118 HB THR 14 HB THR 14 9.516 -15.012 -20.347 119 HG1 THR 14 HG1 THR 14 7.347 -15.296 -21.030 120 HG21 THR 14 HG21 THR 14 8.037 -17.535 -19.764 121 HG22 THR 14 HG22 THR 14 9.731 -17.417 -19.287 122 HG23 THR 14 HG23 THR 14 9.273 -17.209 -20.977 123 HA PRO 15 HA PRO 15 12.004 -12.245 -17.589 124 HB2 PRO 15 HB2 PRO 15 14.011 -12.678 -19.366 125 HB3 PRO 15 HB3 PRO 15 13.903 -13.519 -17.815 126 HG2 PRO 15 HG2 PRO 15 13.103 -14.462 -20.541 127 HG3 PRO 15 HG3 PRO 15 13.960 -15.339 -19.261 128 HD2 PRO 15 HD2 PRO 15 11.315 -15.669 -19.732 129 HD3 PRO 15 HD3 PRO 15 12.020 -15.808 -18.109 130 H ILE 16 H ILE 16 11.006 -13.264 -20.801 131 HA ILE 16 HA ILE 16 11.588 -10.779 -22.083 132 HB ILE 16 HB ILE 16 10.096 -13.247 -22.856 133 HG12 ILE 16 HG12 ILE 16 12.071 -11.792 -24.559 134 HG13 ILE 16 HG13 ILE 16 12.658 -12.626 -23.125 135 HG21 ILE 16 HG21 ILE 16 8.577 -11.639 -23.675 136 HG22 ILE 16 HG22 ILE 16 9.875 -10.574 -24.211 137 HG23 ILE 16 HG23 ILE 16 9.579 -12.095 -25.053 138 HD11 ILE 16 HD11 ILE 16 10.968 -14.434 -24.435 139 HD12 ILE 16 HD12 ILE 16 11.968 -13.690 -25.683 140 HD13 ILE 16 HD13 ILE 16 12.726 -14.489 -24.305 141 H GLU 17 H GLU 17 8.792 -12.153 -20.470 142 HA GLU 17 HA GLU 17 6.990 -10.086 -21.323 143 HB2 GLU 17 HB2 GLU 17 6.839 -12.550 -19.780 144 HB3 GLU 17 HB3 GLU 17 5.881 -11.262 -19.064 145 HG2 GLU 17 HG2 GLU 17 4.747 -12.807 -20.746 146 HG3 GLU 17 HG3 GLU 17 4.511 -11.070 -20.930 147 H TYR 18 H TYR 18 8.961 -10.732 -18.482 148 HA TYR 18 HA TYR 18 7.917 -8.842 -16.731 149 HB2 TYR 18 HB2 TYR 18 9.477 -9.868 -15.495 150 HB3 TYR 18 HB3 TYR 18 10.319 -10.440 -16.931 151 HD1 TYR 18 HD1 TYR 18 9.960 -7.486 -14.702 152 HD2 TYR 18 HD2 TYR 18 12.391 -9.530 -17.533 153 HE1 TYR 18 HE1 TYR 18 11.807 -5.932 -14.229 154 HE2 TYR 18 HE2 TYR 18 14.246 -7.983 -17.067 155 HH TYR 18 HH TYR 18 13.941 -5.118 -15.666 156 H GLU 19 H GLU 19 10.254 -8.471 -19.344 157 HA GLU 19 HA GLU 19 11.142 -5.888 -18.808 158 HB2 GLU 19 HB2 GLU 19 11.030 -7.647 -21.170 159 HB3 GLU 19 HB3 GLU 19 11.118 -5.929 -21.530 160 HG2 GLU 19 HG2 GLU 19 13.305 -6.041 -21.244 161 HG3 GLU 19 HG3 GLU 19 13.021 -6.367 -19.535 162 H HIS 20 H HIS 20 8.204 -7.007 -20.374 163 HA HIS 20 HA HIS 20 7.393 -4.311 -21.076 164 HB2 HIS 20 HB2 HIS 20 6.175 -7.034 -21.469 165 HB3 HIS 20 HB3 HIS 20 5.251 -5.568 -21.780 166 HD1 HIS 20 HD1 HIS 20 5.673 -4.374 -23.959 167 HD2 HIS 20 HD2 HIS 20 8.432 -7.389 -23.213 168 HE1 HIS 20 HE1 HIS 20 6.990 -4.621 -26.087 169 H TYR 21 H TYR 21 7.086 -6.450 -18.439 170 HA TYR 21 HA TYR 21 4.581 -5.657 -17.417 171 HB2 TYR 21 HB2 TYR 21 5.159 -7.441 -16.179 172 HB3 TYR 21 HB3 TYR 21 6.875 -7.209 -16.498 173 HD1 TYR 21 HD1 TYR 21 4.147 -6.626 -14.166 174 HD2 TYR 21 HD2 TYR 21 8.222 -5.754 -15.027 175 HE1 TYR 21 HE1 TYR 21 4.464 -5.851 -11.853 176 HE2 TYR 21 HE2 TYR 21 8.550 -4.977 -12.717 177 HH TYR 21 HH TYR 21 6.771 -5.690 -10.266 178 H VAL 22 H VAL 22 7.758 -4.233 -17.266 179 HA VAL 22 HA VAL 22 7.049 -2.352 -15.188 180 HB VAL 22 HB VAL 22 9.495 -2.563 -16.946 181 HG11 VAL 22 HG11 VAL 22 8.591 -0.444 -15.121 182 HG12 VAL 22 HG12 VAL 22 10.252 -0.990 -14.876 183 HG13 VAL 22 HG13 VAL 22 9.745 -0.382 -16.453 184 HG21 VAL 22 HG21 VAL 22 8.858 -3.378 -14.129 185 HG22 VAL 22 HG22 VAL 22 9.537 -4.349 -15.436 186 HG23 VAL 22 HG23 VAL 22 10.519 -3.108 -14.658 187 H LYS 23 H LYS 23 6.887 -2.520 -18.617 188 HA LYS 23 HA LYS 23 7.027 0.206 -19.279 189 HB2 LYS 23 HB2 LYS 23 6.004 -2.256 -20.565 190 HB3 LYS 23 HB3 LYS 23 5.336 -0.742 -21.161 191 HG2 LYS 23 HG2 LYS 23 7.282 -1.511 -22.453 192 HG3 LYS 23 HG3 LYS 23 7.537 0.069 -21.708 193 HD2 LYS 23 HD2 LYS 23 9.184 -0.690 -20.369 194 HD3 LYS 23 HD3 LYS 23 8.375 -2.232 -20.078 195 HE2 LYS 23 HE2 LYS 23 10.426 -2.624 -21.281 196 HE3 LYS 23 HE3 LYS 23 9.057 -2.969 -22.338 197 HZ1 LYS 23 HZ1 LYS 23 9.675 -1.383 -23.749 198 HZ2 LYS 23 HZ2 LYS 23 11.158 -1.356 -22.938 199 HZ3 LYS 23 HZ3 LYS 23 9.947 -0.251 -22.521 200 H HIS 24 H HIS 24 4.331 -1.826 -18.249 201 HA HIS 24 HA HIS 24 2.344 0.191 -18.617 202 HB2 HIS 24 HB2 HIS 24 1.354 -1.880 -18.627 203 HB3 HIS 24 HB3 HIS 24 2.443 -2.526 -17.402 204 HD1 HIS 24 HD1 HIS 24 -0.100 0.314 -17.309 205 HD2 HIS 24 HD2 HIS 24 0.939 -3.144 -15.254 206 HE1 HIS 24 HE1 HIS 24 -1.685 0.189 -15.361 207 H LEU 25 H LEU 25 4.357 -0.862 -15.937 208 HA LEU 25 HA LEU 25 3.110 0.361 -13.802 209 HB2 LEU 25 HB2 LEU 25 5.921 -0.326 -14.457 210 HB3 LEU 25 HB3 LEU 25 5.643 0.749 -13.089 211 HG LEU 25 HG LEU 25 4.795 -0.904 -11.787 212 HD11 LEU 25 HD11 LEU 25 3.647 -2.932 -12.729 213 HD12 LEU 25 HD12 LEU 25 3.764 -2.170 -14.315 214 HD13 LEU 25 HD13 LEU 25 2.837 -1.395 -13.031 215 HD21 LEU 25 HD21 LEU 25 6.391 -2.465 -11.787 216 HD22 LEU 25 HD22 LEU 25 7.014 -1.654 -13.224 217 HD23 LEU 25 HD23 LEU 25 5.945 -3.048 -13.391 218 H PHE 26 H PHE 26 5.450 1.776 -16.067 219 HA PHE 26 HA PHE 26 5.829 4.254 -14.985 220 HB2 PHE 26 HB2 PHE 26 5.416 3.615 -17.913 221 HB3 PHE 26 HB3 PHE 26 6.157 5.085 -17.290 222 HD1 PHE 26 HD1 PHE 26 6.892 2.107 -18.781 223 HD2 PHE 26 HD2 PHE 26 8.083 4.454 -15.436 224 HE1 PHE 26 HE1 PHE 26 9.086 0.994 -18.786 225 HE2 PHE 26 HE2 PHE 26 10.280 3.347 -15.437 226 HZ PHE 26 HZ PHE 26 10.784 1.614 -17.113 227 H ASP 27 H ASP 27 2.980 3.050 -16.616 228 HA ASP 27 HA ASP 27 1.611 5.353 -17.224 229 HB2 ASP 27 HB2 ASP 27 0.917 2.891 -17.551 230 HB3 ASP 27 HB3 ASP 27 0.224 3.012 -15.936 231 H ILE 28 H ILE 28 1.603 3.640 -14.104 232 HA ILE 28 HA ILE 28 0.280 5.940 -12.868 233 HB ILE 28 HB ILE 28 -0.222 4.565 -11.014 234 HG12 ILE 28 HG12 ILE 28 1.784 2.615 -12.160 235 HG13 ILE 28 HG13 ILE 28 1.912 3.506 -10.647 236 HG21 ILE 28 HG21 ILE 28 -0.488 2.488 -13.120 237 HG22 ILE 28 HG22 ILE 28 -1.682 3.103 -11.978 238 HG23 ILE 28 HG23 ILE 28 -1.250 4.054 -13.398 239 HD11 ILE 28 HD11 ILE 28 -0.106 1.360 -11.260 240 HD12 ILE 28 HD12 ILE 28 1.339 1.178 -10.264 241 HD13 ILE 28 HD13 ILE 28 0.035 2.246 -9.742 242 H GLY 29 H GLY 29 3.329 4.273 -12.986 243 HA2 GLY 29 HA2 GLY 29 5.373 5.333 -12.410 244 HA3 GLY 29 HA3 GLY 29 4.489 6.382 -11.312 245 H GLU 30 H GLU 30 3.993 2.926 -11.371 246 HA GLU 30 HA GLU 30 4.471 2.668 -8.599 247 HB2 GLU 30 HB2 GLU 30 3.271 1.124 -10.535 248 HB3 GLU 30 HB3 GLU 30 4.714 0.196 -10.153 249 HG2 GLU 30 HG2 GLU 30 2.623 -0.353 -8.845 250 HG3 GLU 30 HG3 GLU 30 4.091 -0.065 -7.911 251 H ILE 31 H ILE 31 6.277 1.185 -11.298 252 HA ILE 31 HA ILE 31 8.671 1.215 -9.582 253 HB ILE 31 HB ILE 31 8.042 -0.584 -11.926 254 HG12 ILE 31 HG12 ILE 31 6.757 -1.121 -9.899 255 HG13 ILE 31 HG13 ILE 31 7.950 -2.368 -10.247 256 HG21 ILE 31 HG21 ILE 31 10.395 -0.175 -11.883 257 HG22 ILE 31 HG22 ILE 31 10.460 -0.419 -10.139 258 HG23 ILE 31 HG23 ILE 31 10.114 -1.779 -11.206 259 HD11 ILE 31 HD11 ILE 31 9.250 -0.581 -8.559 260 HD12 ILE 31 HD12 ILE 31 7.623 -0.748 -7.898 261 HD13 ILE 31 HD13 ILE 31 8.623 -2.178 -8.151 262 H THR 32 H THR 32 10.566 2.069 -10.329 263 HA THR 32 HA THR 32 10.352 3.834 -12.627 264 HB THR 32 HB THR 32 12.510 4.744 -11.903 265 HG1 THR 32 HG1 THR 32 13.362 2.756 -11.048 266 HG21 THR 32 HG21 THR 32 10.966 4.496 -9.363 267 HG22 THR 32 HG22 THR 32 10.191 5.247 -10.759 268 HG23 THR 32 HG23 THR 32 11.685 5.923 -10.109 269 H LYS 33 H LYS 33 12.277 4.005 -14.103 270 HA LYS 33 HA LYS 33 12.667 1.595 -15.477 271 HB2 LYS 33 HB2 LYS 33 14.408 4.061 -15.628 272 HB3 LYS 33 HB3 LYS 33 14.242 2.813 -16.856 273 HG2 LYS 33 HG2 LYS 33 12.097 3.507 -17.445 274 HG3 LYS 33 HG3 LYS 33 11.883 4.421 -15.950 275 HD2 LYS 33 HD2 LYS 33 13.864 5.113 -18.118 276 HD3 LYS 33 HD3 LYS 33 12.272 5.854 -17.940 277 HE2 LYS 33 HE2 LYS 33 13.217 6.215 -15.456 278 HE3 LYS 33 HE3 LYS 33 14.737 6.224 -16.348 279 HZ1 LYS 33 HZ1 LYS 33 12.467 8.087 -16.536 280 HZ2 LYS 33 HZ2 LYS 33 13.488 7.878 -17.868 281 HZ3 LYS 33 HZ3 LYS 33 14.119 8.425 -16.397 282 H GLU 34 H GLU 34 14.516 3.148 -12.951 283 HA GLU 34 HA GLU 34 16.972 1.929 -13.168 284 HB2 GLU 34 HB2 GLU 34 16.813 3.518 -11.473 285 HB3 GLU 34 HB3 GLU 34 15.347 2.810 -10.810 286 HG2 GLU 34 HG2 GLU 34 16.470 1.344 -9.524 287 HG3 GLU 34 HG3 GLU 34 17.748 1.110 -10.715 288 H LEU 35 H LEU 35 13.962 0.586 -11.953 289 HA LEU 35 HA LEU 35 15.169 -1.839 -10.996 290 HB2 LEU 35 HB2 LEU 35 12.652 -0.558 -10.794 291 HB3 LEU 35 HB3 LEU 35 12.378 -2.156 -11.486 292 HG LEU 35 HG LEU 35 13.587 -3.138 -9.545 293 HD11 LEU 35 HD11 LEU 35 14.970 -1.374 -8.809 294 HD12 LEU 35 HD12 LEU 35 13.777 -1.620 -7.534 295 HD13 LEU 35 HD13 LEU 35 13.606 -0.267 -8.652 296 HD21 LEU 35 HD21 LEU 35 11.056 -2.735 -9.726 297 HD22 LEU 35 HD22 LEU 35 11.322 -1.435 -8.564 298 HD23 LEU 35 HD23 LEU 35 11.730 -3.097 -8.136 299 H TYR 36 H TYR 36 13.282 -0.891 -13.841 300 HA TYR 36 HA TYR 36 13.073 -3.429 -15.012 301 HB2 TYR 36 HB2 TYR 36 11.687 -2.001 -16.115 302 HB3 TYR 36 HB3 TYR 36 12.772 -0.629 -15.919 303 HD1 TYR 36 HD1 TYR 36 12.522 -3.848 -17.797 304 HD2 TYR 36 HD2 TYR 36 13.878 0.185 -17.781 305 HE1 TYR 36 HE1 TYR 36 13.230 -4.083 -20.141 306 HE2 TYR 36 HE2 TYR 36 14.588 -0.039 -20.125 307 HH TYR 36 HH TYR 36 14.198 -3.105 -21.879 308 H ILE 37 H ILE 37 15.608 -0.994 -15.154 309 HA ILE 37 HA ILE 37 17.133 -2.430 -17.136 310 HB ILE 37 HB ILE 37 17.741 -0.002 -15.460 311 HG12 ILE 37 HG12 ILE 37 17.978 0.432 -18.255 312 HG13 ILE 37 HG13 ILE 37 16.484 -0.462 -17.994 313 HG21 ILE 37 HG21 ILE 37 19.836 -1.102 -15.705 314 HG22 ILE 37 HG22 ILE 37 19.521 -1.456 -17.403 315 HG23 ILE 37 HG23 ILE 37 19.795 0.207 -16.885 316 HD11 ILE 37 HD11 ILE 37 15.479 1.265 -16.957 317 HD12 ILE 37 HD12 ILE 37 16.969 1.822 -16.196 318 HD13 ILE 37 HD13 ILE 37 16.649 2.200 -17.888 319 H GLU 38 H GLU 38 17.212 -1.978 -13.640 320 HA GLU 38 HA GLU 38 19.690 -3.278 -13.202 321 HB2 GLU 38 HB2 GLU 38 18.659 -1.773 -11.551 322 HB3 GLU 38 HB3 GLU 38 17.352 -2.926 -11.318 323 HG2 GLU 38 HG2 GLU 38 19.023 -4.582 -10.535 324 HG3 GLU 38 HG3 GLU 38 20.257 -3.328 -10.646 325 H LEU 39 H LEU 39 16.361 -4.423 -12.617 326 HA LEU 39 HA LEU 39 16.973 -7.048 -11.974 327 HB2 LEU 39 HB2 LEU 39 14.582 -5.692 -13.119 328 HB3 LEU 39 HB3 LEU 39 14.619 -7.453 -13.087 329 HG LEU 39 HG LEU 39 13.419 -6.374 -11.172 330 HD11 LEU 39 HD11 LEU 39 15.768 -8.188 -10.715 331 HD12 LEU 39 HD12 LEU 39 14.063 -8.611 -10.867 332 HD13 LEU 39 HD13 LEU 39 14.637 -7.767 -9.429 333 HD21 LEU 39 HD21 LEU 39 14.896 -4.460 -10.862 334 HD22 LEU 39 HD22 LEU 39 16.211 -5.537 -10.391 335 HD23 LEU 39 HD23 LEU 39 14.772 -5.406 -9.379 336 H SER 40 H SER 40 16.628 -5.530 -15.124 337 HA SER 40 HA SER 40 16.957 -8.073 -16.500 338 HB2 SER 40 HB2 SER 40 15.370 -6.357 -17.362 339 HB3 SER 40 HB3 SER 40 16.738 -5.286 -17.663 340 HG SER 40 HG SER 40 17.271 -6.429 -19.363 341 H SER 41 H SER 41 19.080 -8.559 -15.737 342 HA SER 41 HA SER 41 21.222 -6.827 -16.747 343 HB2 SER 41 HB2 SER 41 22.686 -8.347 -15.316 344 HB3 SER 41 HB3 SER 41 21.547 -7.322 -14.444 345 HG SER 41 HG SER 41 20.859 -9.952 -15.196 346 H ASP 42 H ASP 42 20.220 -7.865 -18.867 347 HA ASP 42 HA ASP 42 21.831 -10.253 -19.494 348 HB2 ASP 42 HB2 ASP 42 19.103 -10.063 -19.648 349 HB3 ASP 42 HB3 ASP 42 19.584 -9.660 -21.294 350 H LEU 43 H LEU 43 23.500 -9.810 -20.757 351 HA LEU 43 HA LEU 43 23.161 -7.893 -22.948 352 HB2 LEU 43 HB2 LEU 43 24.503 -7.213 -20.669 353 HB3 LEU 43 HB3 LEU 43 25.805 -7.824 -21.687 354 HG LEU 43 HG LEU 43 25.710 -5.461 -21.963 355 HD11 LEU 43 HD11 LEU 43 25.297 -5.255 -24.343 356 HD12 LEU 43 HD12 LEU 43 24.373 -6.757 -24.335 357 HD13 LEU 43 HD13 LEU 43 26.103 -6.784 -23.993 358 HD21 LEU 43 HD21 LEU 43 22.867 -5.597 -22.895 359 HD22 LEU 43 HD22 LEU 43 23.799 -4.199 -22.360 360 HD23 LEU 43 HD23 LEU 43 23.252 -5.396 -21.186 Start of MODEL 14 1 H1 MET 1 H MET 1 -1.375 0.286 -0.905 2 HA MET 1 HA MET 1 0.103 0.215 -2.952 3 HB2 MET 1 HB2 MET 1 0.579 1.402 -0.535 4 HB3 MET 1 HB3 MET 1 2.030 0.429 -0.741 5 HG2 MET 1 HG2 MET 1 2.839 1.760 -2.334 6 HG3 MET 1 HG3 MET 1 1.277 1.907 -3.136 7 HE1 MET 1 HE1 MET 1 0.291 5.233 -2.702 8 HE2 MET 1 HE2 MET 1 0.038 3.600 -3.318 9 HE3 MET 1 HE3 MET 1 -0.708 4.095 -1.798 10 H ASN 2 H ASN 2 1.946 -0.720 -3.904 11 HA ASN 2 HA ASN 2 3.014 -3.138 -2.648 12 HB2 ASN 2 HB2 ASN 2 1.399 -3.012 -5.135 13 HB3 ASN 2 HB3 ASN 2 2.823 -4.048 -5.175 14 HD21 ASN 2 HD21 ASN 2 0.866 -5.533 -5.523 15 HD22 ASN 2 HD22 ASN 2 0.256 -6.305 -4.103 16 H LYS 3 H LYS 3 5.072 -3.756 -3.385 17 HA LYS 3 HA LYS 3 6.411 -2.419 -5.512 18 HB2 LYS 3 HB2 LYS 3 6.337 -1.000 -3.103 19 HB3 LYS 3 HB3 LYS 3 7.934 -1.734 -3.144 20 HG2 LYS 3 HG2 LYS 3 7.905 -0.787 -5.614 21 HG3 LYS 3 HG3 LYS 3 6.749 0.339 -4.900 22 HD2 LYS 3 HD2 LYS 3 9.187 -0.121 -3.319 23 HD3 LYS 3 HD3 LYS 3 9.441 0.678 -4.872 24 HE2 LYS 3 HE2 LYS 3 8.260 2.538 -4.262 25 HE3 LYS 3 HE3 LYS 3 7.220 1.647 -3.152 26 HZ1 LYS 3 HZ1 LYS 3 9.502 3.144 -2.553 27 HZ2 LYS 3 HZ2 LYS 3 9.852 1.527 -2.198 28 HZ3 LYS 3 HZ3 LYS 3 8.512 2.278 -1.488 29 H GLU 4 H GLU 4 6.811 -4.133 -2.433 30 HA GLU 4 HA GLU 4 9.224 -5.440 -3.334 31 HB2 GLU 4 HB2 GLU 4 7.572 -6.051 -0.879 32 HB3 GLU 4 HB3 GLU 4 9.242 -6.515 -1.175 33 HG2 GLU 4 HG2 GLU 4 9.564 -3.906 -1.383 34 HG3 GLU 4 HG3 GLU 4 8.111 -3.888 -0.386 35 H HIS 5 H HIS 5 5.830 -6.272 -2.870 36 HA HIS 5 HA HIS 5 6.212 -9.041 -3.545 37 HB2 HIS 5 HB2 HIS 5 4.289 -7.757 -2.160 38 HB3 HIS 5 HB3 HIS 5 3.505 -7.847 -3.735 39 HD1 HIS 5 HD1 HIS 5 2.784 -9.454 -1.017 40 HD2 HIS 5 HD2 HIS 5 4.643 -10.939 -4.423 41 HE1 HIS 5 HE1 HIS 5 2.362 -11.933 -0.987 42 H ILE 6 H ILE 6 4.998 -6.155 -5.187 43 HA ILE 6 HA ILE 6 4.054 -7.311 -7.526 44 HB ILE 6 HB ILE 6 3.876 -4.879 -6.841 45 HG12 ILE 6 HG12 ILE 6 4.722 -5.546 -9.668 46 HG13 ILE 6 HG13 ILE 6 3.092 -5.653 -9.012 47 HG21 ILE 6 HG21 ILE 6 6.426 -4.436 -8.331 48 HG22 ILE 6 HG22 ILE 6 5.590 -3.377 -7.196 49 HG23 ILE 6 HG23 ILE 6 6.467 -4.788 -6.603 50 HD11 ILE 6 HD11 ILE 6 4.151 -3.013 -8.633 51 HD12 ILE 6 HD12 ILE 6 4.256 -3.493 -10.327 52 HD13 ILE 6 HD13 ILE 6 2.702 -3.532 -9.493 53 H LEU 7 H LEU 7 7.339 -6.584 -6.541 54 HA LEU 7 HA LEU 7 8.575 -6.899 -9.059 55 HB2 LEU 7 HB2 LEU 7 9.420 -6.749 -6.252 56 HB3 LEU 7 HB3 LEU 7 10.502 -7.663 -7.300 57 HG LEU 7 HG LEU 7 11.127 -5.271 -7.000 58 HD11 LEU 7 HD11 LEU 7 10.437 -5.628 -9.872 59 HD12 LEU 7 HD12 LEU 7 11.507 -6.799 -9.102 60 HD13 LEU 7 HD13 LEU 7 11.944 -5.090 -9.128 61 HD21 LEU 7 HD21 LEU 7 9.702 -3.598 -7.355 62 HD22 LEU 7 HD22 LEU 7 8.427 -4.815 -7.417 63 HD23 LEU 7 HD23 LEU 7 9.193 -4.263 -8.907 64 H ALA 8 H ALA 8 7.880 -9.173 -6.440 65 HA ALA 8 HA ALA 8 9.249 -11.401 -7.308 66 HB1 ALA 8 HB1 ALA 8 7.009 -10.872 -5.549 67 HB2 ALA 8 HB2 ALA 8 6.859 -12.433 -6.358 68 HB3 ALA 8 HB3 ALA 8 8.299 -12.067 -5.407 69 H GLN 9 H GLN 9 6.277 -10.031 -8.549 70 HA GLN 9 HA GLN 9 5.295 -12.168 -10.025 71 HB2 GLN 9 HB2 GLN 9 4.701 -9.450 -9.753 72 HB3 GLN 9 HB3 GLN 9 5.014 -9.672 -11.469 73 HG2 GLN 9 HG2 GLN 9 3.005 -10.540 -11.743 74 HG3 GLN 9 HG3 GLN 9 3.376 -11.813 -10.582 75 HE21 GLN 9 HE21 GLN 9 3.556 -10.507 -8.242 76 HE22 GLN 9 HE22 GLN 9 2.051 -9.761 -7.838 77 H LYS 10 H LYS 10 7.373 -9.526 -11.225 78 HA LYS 10 HA LYS 10 7.853 -10.648 -13.748 79 HB2 LYS 10 HB2 LYS 10 9.330 -8.911 -14.086 80 HB3 LYS 10 HB3 LYS 10 8.353 -8.260 -12.777 81 HG2 LYS 10 HG2 LYS 10 10.212 -9.388 -11.288 82 HG3 LYS 10 HG3 LYS 10 11.168 -9.203 -12.760 83 HD2 LYS 10 HD2 LYS 10 9.635 -6.959 -11.454 84 HD3 LYS 10 HD3 LYS 10 11.343 -7.291 -11.154 85 HE2 LYS 10 HE2 LYS 10 11.747 -7.046 -13.601 86 HE3 LYS 10 HE3 LYS 10 10.065 -6.549 -13.783 87 HZ1 LYS 10 HZ1 LYS 10 10.575 -4.745 -12.148 88 HZ2 LYS 10 HZ2 LYS 10 11.355 -4.593 -13.641 89 HZ3 LYS 10 HZ3 LYS 10 12.211 -5.150 -12.293 90 H GLU 11 H GLU 11 9.057 -11.500 -10.669 91 HA GLU 11 HA GLU 11 11.549 -12.618 -11.480 92 HB2 GLU 11 HB2 GLU 11 10.263 -12.124 -9.055 93 HB3 GLU 11 HB3 GLU 11 10.394 -13.875 -9.133 94 HG2 GLU 11 HG2 GLU 11 12.884 -13.154 -9.893 95 HG3 GLU 11 HG3 GLU 11 12.476 -11.834 -8.798 96 H VAL 12 H VAL 12 8.277 -13.696 -11.582 97 HA VAL 12 HA VAL 12 9.168 -16.420 -12.265 98 HB VAL 12 HB VAL 12 6.671 -16.965 -11.895 99 HG11 VAL 12 HG11 VAL 12 8.919 -16.880 -10.170 100 HG12 VAL 12 HG12 VAL 12 7.494 -16.447 -9.224 101 HG13 VAL 12 HG13 VAL 12 7.534 -17.969 -10.115 102 HG21 VAL 12 HG21 VAL 12 6.879 -14.361 -10.385 103 HG22 VAL 12 HG22 VAL 12 5.863 -14.672 -11.793 104 HG23 VAL 12 HG23 VAL 12 5.542 -15.507 -10.273 105 H LEU 13 H LEU 13 7.068 -13.750 -13.219 106 HA LEU 13 HA LEU 13 5.767 -14.828 -15.389 107 HB2 LEU 13 HB2 LEU 13 6.676 -12.113 -14.642 108 HB3 LEU 13 HB3 LEU 13 6.212 -12.361 -16.324 109 HG LEU 13 HG LEU 13 3.991 -13.113 -15.582 110 HD11 LEU 13 HD11 LEU 13 4.897 -13.864 -13.306 111 HD12 LEU 13 HD12 LEU 13 3.303 -13.113 -13.353 112 HD13 LEU 13 HD13 LEU 13 4.701 -12.179 -12.823 113 HD21 LEU 13 HD21 LEU 13 5.013 -10.411 -14.797 114 HD22 LEU 13 HD22 LEU 13 3.323 -10.844 -14.541 115 HD23 LEU 13 HD23 LEU 13 4.004 -10.868 -16.169 116 H THR 14 H THR 14 6.170 -14.579 -17.702 117 HA THR 14 HA THR 14 8.600 -15.711 -18.499 118 HB THR 14 HB THR 14 7.714 -14.563 -20.812 119 HG1 THR 14 HG1 THR 14 5.467 -14.491 -20.716 120 HG21 THR 14 HG21 THR 14 7.276 -17.118 -19.409 121 HG22 THR 14 HG22 THR 14 7.885 -16.806 -21.034 122 HG23 THR 14 HG23 THR 14 6.150 -16.770 -20.720 123 HA PRO 15 HA PRO 15 11.427 -12.406 -19.084 124 HB2 PRO 15 HB2 PRO 15 12.616 -13.038 -21.441 125 HB3 PRO 15 HB3 PRO 15 12.907 -13.937 -19.947 126 HG2 PRO 15 HG2 PRO 15 11.091 -14.598 -22.234 127 HG3 PRO 15 HG3 PRO 15 12.179 -15.663 -21.325 128 HD2 PRO 15 HD2 PRO 15 9.513 -15.565 -20.861 129 HD3 PRO 15 HD3 PRO 15 10.694 -15.898 -19.578 130 H ILE 16 H ILE 16 9.212 -13.073 -21.721 131 HA ILE 16 HA ILE 16 9.714 -10.565 -23.055 132 HB ILE 16 HB ILE 16 7.829 -12.843 -23.502 133 HG12 ILE 16 HG12 ILE 16 10.130 -12.847 -24.445 134 HG13 ILE 16 HG13 ILE 16 8.882 -12.892 -25.686 135 HG21 ILE 16 HG21 ILE 16 6.337 -11.041 -23.813 136 HG22 ILE 16 HG22 ILE 16 7.559 -10.072 -24.635 137 HG23 ILE 16 HG23 ILE 16 6.883 -11.496 -25.427 138 HD11 ILE 16 HD11 ILE 16 9.578 -10.178 -25.117 139 HD12 ILE 16 HD12 ILE 16 11.030 -11.115 -25.471 140 HD13 ILE 16 HD13 ILE 16 9.703 -11.074 -26.631 141 H GLU 17 H GLU 17 7.393 -11.853 -20.769 142 HA GLU 17 HA GLU 17 5.635 -9.574 -20.962 143 HB2 GLU 17 HB2 GLU 17 5.732 -12.019 -19.219 144 HB3 GLU 17 HB3 GLU 17 4.644 -10.690 -18.842 145 HG2 GLU 17 HG2 GLU 17 3.841 -10.945 -21.274 146 HG3 GLU 17 HG3 GLU 17 4.629 -12.521 -21.204 147 H TYR 18 H TYR 18 8.239 -10.664 -18.886 148 HA TYR 18 HA TYR 18 7.867 -8.902 -16.741 149 HB2 TYR 18 HB2 TYR 18 9.564 -10.157 -16.005 150 HB3 TYR 18 HB3 TYR 18 9.884 -10.744 -17.633 151 HD1 TYR 18 HD1 TYR 18 11.788 -10.032 -18.819 152 HD2 TYR 18 HD2 TYR 18 10.637 -7.983 -15.272 153 HE1 TYR 18 HE1 TYR 18 13.910 -8.788 -18.855 154 HE2 TYR 18 HE2 TYR 18 12.755 -6.733 -15.299 155 HH TYR 18 HH TYR 18 14.727 -6.514 -17.927 156 H GLU 19 H GLU 19 9.355 -8.460 -19.880 157 HA GLU 19 HA GLU 19 10.713 -6.051 -19.364 158 HB2 GLU 19 HB2 GLU 19 11.234 -7.272 -21.354 159 HB3 GLU 19 HB3 GLU 19 9.566 -7.206 -21.904 160 HG2 GLU 19 HG2 GLU 19 9.720 -4.876 -22.350 161 HG3 GLU 19 HG3 GLU 19 11.292 -4.770 -21.559 162 H HIS 20 H HIS 20 7.403 -6.720 -20.393 163 HA HIS 20 HA HIS 20 6.773 -3.889 -20.549 164 HB2 HIS 20 HB2 HIS 20 5.255 -6.419 -21.122 165 HB3 HIS 20 HB3 HIS 20 4.411 -4.879 -20.984 166 HD1 HIS 20 HD1 HIS 20 4.318 -3.487 -23.043 167 HD2 HIS 20 HD2 HIS 20 7.286 -6.388 -23.245 168 HE1 HIS 20 HE1 HIS 20 5.225 -3.359 -25.385 169 H TYR 21 H TYR 21 6.666 -6.420 -18.251 170 HA TYR 21 HA TYR 21 4.497 -5.821 -16.664 171 HB2 TYR 21 HB2 TYR 21 5.554 -7.663 -15.842 172 HB3 TYR 21 HB3 TYR 21 7.159 -7.033 -16.198 173 HD1 TYR 21 HD1 TYR 21 4.442 -7.129 -13.737 174 HD2 TYR 21 HD2 TYR 21 8.352 -5.681 -14.582 175 HE1 TYR 21 HE1 TYR 21 4.740 -6.566 -11.362 176 HE2 TYR 21 HE2 TYR 21 8.662 -5.115 -12.209 177 HH TYR 21 HH TYR 21 7.582 -4.831 -10.228 178 H VAL 22 H VAL 22 7.535 -4.115 -16.964 179 HA VAL 22 HA VAL 22 6.865 -2.326 -14.757 180 HB VAL 22 HB VAL 22 9.309 -2.491 -16.522 181 HG11 VAL 22 HG11 VAL 22 8.928 -0.176 -15.921 182 HG12 VAL 22 HG12 VAL 22 8.729 -0.623 -14.226 183 HG13 VAL 22 HG13 VAL 22 10.296 -0.814 -15.011 184 HG21 VAL 22 HG21 VAL 22 8.596 -3.476 -13.811 185 HG22 VAL 22 HG22 VAL 22 9.579 -4.230 -15.066 186 HG23 VAL 22 HG23 VAL 22 10.249 -2.926 -14.087 187 H LYS 23 H LYS 23 6.709 -2.476 -18.190 188 HA LYS 23 HA LYS 23 6.844 0.209 -18.908 189 HB2 LYS 23 HB2 LYS 23 5.762 -2.254 -20.072 190 HB3 LYS 23 HB3 LYS 23 4.915 -0.802 -20.591 191 HG2 LYS 23 HG2 LYS 23 6.662 -1.298 -22.154 192 HG3 LYS 23 HG3 LYS 23 7.082 0.172 -21.272 193 HD2 LYS 23 HD2 LYS 23 8.326 -1.522 -19.691 194 HD3 LYS 23 HD3 LYS 23 8.295 -2.549 -21.127 195 HE2 LYS 23 HE2 LYS 23 9.189 0.272 -21.427 196 HE3 LYS 23 HE3 LYS 23 10.285 -0.871 -20.652 197 HZ1 LYS 23 HZ1 LYS 23 9.241 -0.891 -23.409 198 HZ2 LYS 23 HZ2 LYS 23 9.780 -2.325 -22.691 199 HZ3 LYS 23 HZ3 LYS 23 10.842 -1.021 -22.876 200 H HIS 24 H HIS 24 4.093 -1.689 -17.739 201 HA HIS 24 HA HIS 24 2.213 0.445 -17.982 202 HB2 HIS 24 HB2 HIS 24 1.070 -1.532 -17.949 203 HB3 HIS 24 HB3 HIS 24 2.215 -2.300 -16.853 204 HD1 HIS 24 HD1 HIS 24 -0.158 0.659 -16.449 205 HD2 HIS 24 HD2 HIS 24 0.906 -2.894 -14.577 206 HE1 HIS 24 HE1 HIS 24 -1.563 0.549 -14.365 207 H LEU 25 H LEU 25 4.274 -0.771 -15.406 208 HA LEU 25 HA LEU 25 3.211 0.493 -13.202 209 HB2 LEU 25 HB2 LEU 25 5.922 -0.374 -14.006 210 HB3 LEU 25 HB3 LEU 25 5.819 0.747 -12.651 211 HG LEU 25 HG LEU 25 4.896 -0.803 -11.259 212 HD11 LEU 25 HD11 LEU 25 3.628 -2.802 -12.091 213 HD12 LEU 25 HD12 LEU 25 3.738 -2.111 -13.709 214 HD13 LEU 25 HD13 LEU 25 2.881 -1.242 -12.436 215 HD21 LEU 25 HD21 LEU 25 6.242 -2.647 -11.307 216 HD22 LEU 25 HD22 LEU 25 7.096 -1.626 -12.464 217 HD23 LEU 25 HD23 LEU 25 6.022 -2.902 -13.039 218 H PHE 26 H PHE 26 5.455 1.820 -15.606 219 HA PHE 26 HA PHE 26 6.059 4.252 -14.517 220 HB2 PHE 26 HB2 PHE 26 5.421 3.623 -17.405 221 HB3 PHE 26 HB3 PHE 26 6.188 5.112 -16.862 222 HD1 PHE 26 HD1 PHE 26 6.808 2.016 -18.247 223 HD2 PHE 26 HD2 PHE 26 8.285 4.631 -15.231 224 HE1 PHE 26 HE1 PHE 26 9.008 0.924 -18.383 225 HE2 PHE 26 HE2 PHE 26 10.488 3.544 -15.363 226 HZ PHE 26 HZ PHE 26 10.853 1.688 -16.941 227 H ASP 27 H ASP 27 3.029 3.235 -15.934 228 HA ASP 27 HA ASP 27 1.749 5.620 -16.406 229 HB2 ASP 27 HB2 ASP 27 0.904 3.187 -16.683 230 HB3 ASP 27 HB3 ASP 27 0.316 3.361 -15.032 231 H ILE 28 H ILE 28 1.884 3.859 -13.315 232 HA ILE 28 HA ILE 28 0.793 6.208 -11.952 233 HB ILE 28 HB ILE 28 0.355 4.835 -10.084 234 HG12 ILE 28 HG12 ILE 28 2.173 2.801 -11.386 235 HG13 ILE 28 HG13 ILE 28 2.458 3.672 -9.883 236 HG21 ILE 28 HG21 ILE 28 -0.161 2.800 -12.186 237 HG22 ILE 28 HG22 ILE 28 -1.237 3.448 -10.949 238 HG23 ILE 28 HG23 ILE 28 -0.870 4.403 -12.386 239 HD11 ILE 28 HD11 ILE 28 0.315 1.615 -10.364 240 HD12 ILE 28 HD12 ILE 28 1.804 1.386 -9.445 241 HD13 ILE 28 HD13 ILE 28 0.570 2.501 -8.861 242 H GLY 29 H GLY 29 3.729 4.389 -12.337 243 HA2 GLY 29 HA2 GLY 29 5.871 5.289 -11.902 244 HA3 GLY 29 HA3 GLY 29 5.141 6.416 -10.768 245 H GLU 30 H GLU 30 4.416 2.999 -10.723 246 HA GLU 30 HA GLU 30 4.992 2.725 -7.991 247 HB2 GLU 30 HB2 GLU 30 3.699 1.205 -9.850 248 HB3 GLU 30 HB3 GLU 30 5.164 0.266 -9.602 249 HG2 GLU 30 HG2 GLU 30 3.152 -0.300 -8.161 250 HG3 GLU 30 HG3 GLU 30 4.699 -0.089 -7.344 251 H ILE 31 H ILE 31 6.717 1.145 -10.685 252 HA ILE 31 HA ILE 31 9.155 1.217 -9.034 253 HB ILE 31 HB ILE 31 8.301 -0.715 -11.183 254 HG12 ILE 31 HG12 ILE 31 8.952 -2.303 -9.214 255 HG13 ILE 31 HG13 ILE 31 8.782 -0.857 -8.224 256 HG21 ILE 31 HG21 ILE 31 11.006 -0.372 -9.906 257 HG22 ILE 31 HG22 ILE 31 10.511 -1.816 -10.787 258 HG23 ILE 31 HG23 ILE 31 10.603 -0.264 -11.619 259 HD11 ILE 31 HD11 ILE 31 6.511 -1.117 -9.939 260 HD12 ILE 31 HD12 ILE 31 6.775 -2.620 -9.055 261 HD13 ILE 31 HD13 ILE 31 6.589 -1.102 -8.177 262 H THR 32 H THR 32 11.039 2.015 -9.864 263 HA THR 32 HA THR 32 10.807 3.791 -12.117 264 HB THR 32 HB THR 32 13.353 4.081 -11.611 265 HG1 THR 32 HG1 THR 32 13.285 2.129 -10.214 266 HG21 THR 32 HG21 THR 32 11.127 4.910 -9.754 267 HG22 THR 32 HG22 THR 32 11.818 5.825 -11.095 268 HG23 THR 32 HG23 THR 32 12.769 5.543 -9.637 269 H LYS 33 H LYS 33 12.026 3.724 -14.031 270 HA LYS 33 HA LYS 33 12.192 1.312 -15.352 271 HB2 LYS 33 HB2 LYS 33 13.709 2.507 -16.959 272 HB3 LYS 33 HB3 LYS 33 12.204 3.345 -16.607 273 HG2 LYS 33 HG2 LYS 33 13.412 5.144 -16.155 274 HG3 LYS 33 HG3 LYS 33 14.010 4.306 -14.721 275 HD2 LYS 33 HD2 LYS 33 15.546 3.271 -16.775 276 HD3 LYS 33 HD3 LYS 33 15.382 4.978 -17.195 277 HE2 LYS 33 HE2 LYS 33 15.883 4.942 -14.449 278 HE3 LYS 33 HE3 LYS 33 16.969 3.732 -15.131 279 HZ1 LYS 33 HZ1 LYS 33 16.806 6.613 -15.774 280 HZ2 LYS 33 HZ2 LYS 33 17.579 5.516 -16.803 281 HZ3 LYS 33 HZ3 LYS 33 18.142 5.734 -15.222 282 H GLU 34 H GLU 34 14.595 2.891 -13.345 283 HA GLU 34 HA GLU 34 16.905 1.578 -14.011 284 HB2 GLU 34 HB2 GLU 34 15.978 2.171 -11.195 285 HB3 GLU 34 HB3 GLU 34 17.640 1.917 -11.709 286 HG2 GLU 34 HG2 GLU 34 17.531 3.925 -13.086 287 HG3 GLU 34 HG3 GLU 34 15.857 4.176 -12.591 288 H LEU 35 H LEU 35 14.179 0.354 -12.165 289 HA LEU 35 HA LEU 35 15.469 -2.061 -11.346 290 HB2 LEU 35 HB2 LEU 35 13.027 -0.739 -10.832 291 HB3 LEU 35 HB3 LEU 35 12.627 -2.343 -11.444 292 HG LEU 35 HG LEU 35 14.100 -3.303 -9.667 293 HD11 LEU 35 HD11 LEU 35 15.570 -1.595 -9.079 294 HD12 LEU 35 HD12 LEU 35 14.462 -1.683 -7.710 295 HD13 LEU 35 HD13 LEU 35 14.277 -0.407 -8.914 296 HD21 LEU 35 HD21 LEU 35 11.570 -2.929 -9.526 297 HD22 LEU 35 HD22 LEU 35 11.960 -1.587 -8.450 298 HD23 LEU 35 HD23 LEU 35 12.442 -3.229 -8.023 299 H TYR 36 H TYR 36 13.297 -1.160 -13.984 300 HA TYR 36 HA TYR 36 12.720 -3.658 -15.021 301 HB2 TYR 36 HB2 TYR 36 11.541 -1.969 -16.062 302 HB3 TYR 36 HB3 TYR 36 12.951 -0.925 -16.204 303 HD1 TYR 36 HD1 TYR 36 12.128 -4.379 -17.389 304 HD2 TYR 36 HD2 TYR 36 13.450 -0.464 -18.402 305 HE1 TYR 36 HE1 TYR 36 12.409 -5.086 -19.728 306 HE2 TYR 36 HE2 TYR 36 13.733 -1.160 -20.744 307 HH TYR 36 HH TYR 36 14.141 -3.882 -21.817 308 H ILE 37 H ILE 37 15.576 -1.642 -15.519 309 HA ILE 37 HA ILE 37 16.758 -3.561 -17.344 310 HB ILE 37 HB ILE 37 17.793 -0.974 -16.189 311 HG12 ILE 37 HG12 ILE 37 17.764 -0.716 -18.903 312 HG13 ILE 37 HG13 ILE 37 16.386 -1.783 -18.652 313 HG21 ILE 37 HG21 ILE 37 19.693 -2.397 -16.483 314 HG22 ILE 37 HG22 ILE 37 19.130 -2.905 -18.075 315 HG23 ILE 37 HG23 ILE 37 19.664 -1.244 -17.817 316 HD11 ILE 37 HD11 ILE 37 15.233 -0.200 -17.411 317 HD12 ILE 37 HD12 ILE 37 16.689 0.736 -17.071 318 HD13 ILE 37 HD13 ILE 37 15.992 0.746 -18.691 319 H GLU 38 H GLU 38 17.275 -2.401 -14.039 320 HA GLU 38 HA GLU 38 19.623 -3.708 -13.413 321 HB2 GLU 38 HB2 GLU 38 17.290 -2.735 -11.875 322 HB3 GLU 38 HB3 GLU 38 18.301 -3.923 -11.065 323 HG2 GLU 38 HG2 GLU 38 19.759 -1.735 -12.366 324 HG3 GLU 38 HG3 GLU 38 18.725 -1.255 -11.021 325 H LEU 39 H LEU 39 16.326 -4.940 -12.819 326 HA LEU 39 HA LEU 39 17.010 -7.466 -11.922 327 HB2 LEU 39 HB2 LEU 39 14.622 -6.324 -13.286 328 HB3 LEU 39 HB3 LEU 39 14.727 -8.073 -13.092 329 HG LEU 39 HG LEU 39 13.399 -6.878 -11.336 330 HD11 LEU 39 HD11 LEU 39 15.822 -8.314 -10.270 331 HD12 LEU 39 HD12 LEU 39 14.452 -9.120 -11.034 332 HD13 LEU 39 HD13 LEU 39 14.220 -8.215 -9.538 333 HD21 LEU 39 HD21 LEU 39 14.769 -4.882 -11.130 334 HD22 LEU 39 HD22 LEU 39 16.119 -5.848 -10.534 335 HD23 LEU 39 HD23 LEU 39 14.644 -5.707 -9.577 336 H SER 40 H SER 40 16.745 -6.259 -15.211 337 HA SER 40 HA SER 40 16.735 -8.610 -16.656 338 HB2 SER 40 HB2 SER 40 16.994 -5.928 -17.263 339 HB3 SER 40 HB3 SER 40 18.533 -6.602 -17.799 340 HG SER 40 HG SER 40 17.174 -8.243 -18.881 341 H SER 41 H SER 41 19.655 -6.721 -15.849 342 HA SER 41 HA SER 41 21.835 -7.325 -15.601 343 HB2 SER 41 HB2 SER 41 20.551 -8.749 -13.795 344 HB3 SER 41 HB3 SER 41 21.015 -10.100 -14.828 345 HG SER 41 HG SER 41 22.576 -8.467 -13.224 346 H ASP 42 H ASP 42 20.911 -7.513 -18.187 347 HA ASP 42 HA ASP 42 22.272 -9.925 -19.198 348 HB2 ASP 42 HB2 ASP 42 19.748 -9.558 -19.679 349 HB3 ASP 42 HB3 ASP 42 20.302 -8.335 -20.819 350 H LEU 43 H LEU 43 24.298 -9.307 -19.657 351 HA LEU 43 HA LEU 43 24.725 -7.407 -21.769 352 HB2 LEU 43 HB2 LEU 43 26.306 -6.006 -20.488 353 HB3 LEU 43 HB3 LEU 43 24.633 -5.848 -19.956 354 HG LEU 43 HG LEU 43 26.102 -7.835 -18.422 355 HD11 LEU 43 HD11 LEU 43 28.044 -6.742 -18.262 356 HD12 LEU 43 HD12 LEU 43 27.157 -5.605 -17.246 357 HD13 LEU 43 HD13 LEU 43 27.380 -5.265 -18.962 358 HD21 LEU 43 HD21 LEU 43 24.715 -7.129 -16.817 359 HD22 LEU 43 HD22 LEU 43 23.899 -6.246 -18.107 360 HD23 LEU 43 HD23 LEU 43 25.098 -5.431 -17.101 Start of MODEL 15 1 H1 MET 1 H MET 1 2.762 1.162 -1.163 2 HA MET 1 HA MET 1 1.887 -1.207 -0.077 3 HB2 MET 1 HB2 MET 1 0.638 0.912 -1.732 4 HB3 MET 1 HB3 MET 1 -0.234 -0.610 -1.622 5 HG2 MET 1 HG2 MET 1 0.743 0.815 0.824 6 HG3 MET 1 HG3 MET 1 -0.792 1.225 0.062 7 HE1 MET 1 HE1 MET 1 0.423 -1.441 3.024 8 HE2 MET 1 HE2 MET 1 0.245 0.300 2.804 9 HE3 MET 1 HE3 MET 1 -1.098 -0.650 3.440 10 H ASN 2 H ASN 2 2.546 -0.464 -3.457 11 HA ASN 2 HA ASN 2 2.193 -3.323 -4.075 12 HB2 ASN 2 HB2 ASN 2 0.613 -1.368 -5.097 13 HB3 ASN 2 HB3 ASN 2 1.895 -1.404 -6.304 14 HD21 ASN 2 HD21 ASN 2 -0.986 -2.750 -5.334 15 HD22 ASN 2 HD22 ASN 2 -0.955 -4.180 -6.303 16 H LYS 3 H LYS 3 4.610 -2.315 -3.187 17 HA LYS 3 HA LYS 3 6.233 -2.252 -5.646 18 HB2 LYS 3 HB2 LYS 3 6.205 -0.322 -3.772 19 HB3 LYS 3 HB3 LYS 3 7.432 -1.374 -3.079 20 HG2 LYS 3 HG2 LYS 3 8.487 -1.300 -5.439 21 HG3 LYS 3 HG3 LYS 3 7.474 0.128 -5.661 22 HD2 LYS 3 HD2 LYS 3 8.474 1.000 -3.500 23 HD3 LYS 3 HD3 LYS 3 9.646 -0.314 -3.625 24 HE2 LYS 3 HE2 LYS 3 9.612 0.886 -6.145 25 HE3 LYS 3 HE3 LYS 3 9.570 2.224 -4.997 26 HZ1 LYS 3 HZ1 LYS 3 11.736 1.943 -4.728 27 HZ2 LYS 3 HZ2 LYS 3 11.742 0.559 -5.699 28 HZ3 LYS 3 HZ3 LYS 3 11.443 0.425 -4.040 29 H GLU 4 H GLU 4 5.954 -3.556 -2.379 30 HA GLU 4 HA GLU 4 8.247 -5.281 -2.706 31 HB2 GLU 4 HB2 GLU 4 6.147 -5.331 -0.533 32 HB3 GLU 4 HB3 GLU 4 7.735 -6.084 -0.482 33 HG2 GLU 4 HG2 GLU 4 7.051 -3.168 -0.378 34 HG3 GLU 4 HG3 GLU 4 7.913 -4.141 0.813 35 H HIS 5 H HIS 5 4.736 -5.581 -2.773 36 HA HIS 5 HA HIS 5 4.754 -8.433 -3.045 37 HB2 HIS 5 HB2 HIS 5 2.827 -6.483 -2.491 38 HB3 HIS 5 HB3 HIS 5 2.343 -7.167 -4.041 39 HD1 HIS 5 HD1 HIS 5 3.488 -8.566 -0.682 40 HD2 HIS 5 HD2 HIS 5 0.726 -9.292 -3.699 41 HE1 HIS 5 HE1 HIS 5 2.169 -10.566 0.081 42 H ILE 6 H ILE 6 4.421 -5.694 -5.257 43 HA ILE 6 HA ILE 6 3.791 -7.082 -7.587 44 HB ILE 6 HB ILE 6 3.888 -4.546 -7.210 45 HG12 ILE 6 HG12 ILE 6 4.990 -5.733 -9.767 46 HG13 ILE 6 HG13 ILE 6 3.287 -5.576 -9.351 47 HG21 ILE 6 HG21 ILE 6 6.626 -4.673 -8.375 48 HG22 ILE 6 HG22 ILE 6 5.851 -3.387 -7.450 49 HG23 ILE 6 HG23 ILE 6 6.433 -4.836 -6.630 50 HD11 ILE 6 HD11 ILE 6 4.588 -3.031 -9.153 51 HD12 ILE 6 HD12 ILE 6 4.883 -3.754 -10.735 52 HD13 ILE 6 HD13 ILE 6 3.230 -3.523 -10.164 53 H LEU 7 H LEU 7 6.827 -6.730 -5.919 54 HA LEU 7 HA LEU 7 8.628 -7.352 -7.944 55 HB2 LEU 7 HB2 LEU 7 8.677 -7.087 -5.135 56 HB3 LEU 7 HB3 LEU 7 9.425 -8.637 -5.516 57 HG LEU 7 HG LEU 7 10.968 -7.425 -7.063 58 HD11 LEU 7 HD11 LEU 7 9.737 -5.450 -7.548 59 HD12 LEU 7 HD12 LEU 7 11.180 -4.962 -6.660 60 HD13 LEU 7 HD13 LEU 7 9.620 -5.028 -5.839 61 HD21 LEU 7 HD21 LEU 7 10.891 -7.232 -4.135 62 HD22 LEU 7 HD22 LEU 7 11.974 -6.086 -4.926 63 HD23 LEU 7 HD23 LEU 7 12.166 -7.817 -5.204 64 H ALA 8 H ALA 8 6.309 -9.341 -6.359 65 HA ALA 8 HA ALA 8 7.578 -11.831 -7.136 66 HB1 ALA 8 HB1 ALA 8 4.849 -11.389 -5.932 67 HB2 ALA 8 HB2 ALA 8 5.719 -12.919 -6.053 68 HB3 ALA 8 HB3 ALA 8 6.332 -11.636 -5.009 69 H GLN 9 H GLN 9 5.239 -9.618 -8.377 70 HA GLN 9 HA GLN 9 3.804 -11.367 -10.066 71 HB2 GLN 9 HB2 GLN 9 4.340 -8.414 -10.431 72 HB3 GLN 9 HB3 GLN 9 3.085 -9.343 -11.240 73 HG2 GLN 9 HG2 GLN 9 3.260 -8.952 -8.262 74 HG3 GLN 9 HG3 GLN 9 2.269 -7.976 -9.345 75 HE21 GLN 9 HE21 GLN 9 1.854 -10.094 -7.116 76 HE22 GLN 9 HE22 GLN 9 0.605 -11.093 -7.769 77 H LYS 10 H LYS 10 6.479 -9.127 -10.802 78 HA LYS 10 HA LYS 10 6.810 -10.064 -13.464 79 HB2 LYS 10 HB2 LYS 10 8.250 -8.348 -13.654 80 HB3 LYS 10 HB3 LYS 10 7.704 -7.895 -12.044 81 HG2 LYS 10 HG2 LYS 10 10.060 -9.693 -12.560 82 HG3 LYS 10 HG3 LYS 10 10.181 -7.945 -12.349 83 HD2 LYS 10 HD2 LYS 10 9.563 -8.045 -10.115 84 HD3 LYS 10 HD3 LYS 10 8.778 -9.615 -10.299 85 HE2 LYS 10 HE2 LYS 10 10.696 -10.751 -9.980 86 HE3 LYS 10 HE3 LYS 10 11.656 -9.587 -10.892 87 HZ1 LYS 10 HZ1 LYS 10 12.180 -9.718 -8.474 88 HZ2 LYS 10 HZ2 LYS 10 10.649 -9.077 -8.149 89 HZ3 LYS 10 HZ3 LYS 10 11.780 -8.166 -9.016 90 H GLU 11 H GLU 11 7.600 -11.427 -10.501 91 HA GLU 11 HA GLU 11 9.932 -12.869 -11.491 92 HB2 GLU 11 HB2 GLU 11 9.387 -11.923 -9.032 93 HB3 GLU 11 HB3 GLU 11 8.743 -13.550 -8.861 94 HG2 GLU 11 HG2 GLU 11 11.349 -13.567 -10.109 95 HG3 GLU 11 HG3 GLU 11 11.377 -12.756 -8.544 96 H VAL 12 H VAL 12 6.538 -13.302 -11.020 97 HA VAL 12 HA VAL 12 6.708 -16.202 -11.272 98 HB VAL 12 HB VAL 12 4.267 -16.183 -11.003 99 HG11 VAL 12 HG11 VAL 12 4.644 -14.548 -8.742 100 HG12 VAL 12 HG12 VAL 12 4.761 -16.306 -8.842 101 HG13 VAL 12 HG13 VAL 12 6.198 -15.310 -9.080 102 HG21 VAL 12 HG21 VAL 12 4.255 -13.744 -12.068 103 HG22 VAL 12 HG22 VAL 12 2.964 -14.317 -11.012 104 HG23 VAL 12 HG23 VAL 12 4.241 -13.287 -10.365 105 H LEU 13 H LEU 13 7.360 -14.174 -13.449 106 HA LEU 13 HA LEU 13 5.794 -15.502 -15.539 107 HB2 LEU 13 HB2 LEU 13 5.800 -13.238 -16.744 108 HB3 LEU 13 HB3 LEU 13 4.625 -13.503 -15.457 109 HG LEU 13 HG LEU 13 6.379 -12.304 -13.960 110 HD11 LEU 13 HD11 LEU 13 7.251 -11.520 -16.730 111 HD12 LEU 13 HD12 LEU 13 8.231 -12.190 -15.426 112 HD13 LEU 13 HD13 LEU 13 7.596 -10.550 -15.298 113 HD21 LEU 13 HD21 LEU 13 5.471 -10.054 -14.942 114 HD22 LEU 13 HD22 LEU 13 4.375 -11.200 -14.168 115 HD23 LEU 13 HD23 LEU 13 4.474 -11.124 -15.928 116 H THR 14 H THR 14 6.787 -15.305 -17.692 117 HA THR 14 HA THR 14 9.427 -16.089 -17.752 118 HB THR 14 HB THR 14 9.151 -14.922 -20.220 119 HG1 THR 14 HG1 THR 14 6.835 -15.557 -20.651 120 HG21 THR 14 HG21 THR 14 7.879 -17.560 -19.534 121 HG22 THR 14 HG22 THR 14 9.627 -17.331 -19.522 122 HG23 THR 14 HG23 THR 14 8.718 -17.098 -21.014 123 HA PRO 15 HA PRO 15 11.997 -12.546 -17.441 124 HB2 PRO 15 HB2 PRO 15 13.904 -13.023 -19.314 125 HB3 PRO 15 HB3 PRO 15 13.797 -13.928 -17.799 126 HG2 PRO 15 HG2 PRO 15 12.837 -14.688 -20.531 127 HG3 PRO 15 HG3 PRO 15 13.680 -15.678 -19.326 128 HD2 PRO 15 HD2 PRO 15 11.003 -15.813 -19.707 129 HD3 PRO 15 HD3 PRO 15 11.756 -16.074 -18.121 130 H ILE 16 H ILE 16 10.860 -13.353 -20.675 131 HA ILE 16 HA ILE 16 11.526 -10.819 -21.825 132 HB ILE 16 HB ILE 16 9.951 -13.190 -22.727 133 HG12 ILE 16 HG12 ILE 16 12.416 -13.047 -23.029 134 HG13 ILE 16 HG13 ILE 16 11.545 -13.172 -24.553 135 HG21 ILE 16 HG21 ILE 16 8.488 -11.487 -23.448 136 HG22 ILE 16 HG22 ILE 16 9.821 -10.439 -23.929 137 HG23 ILE 16 HG23 ILE 16 9.470 -11.899 -24.853 138 HD11 ILE 16 HD11 ILE 16 12.510 -11.324 -25.277 139 HD12 ILE 16 HD12 ILE 16 11.878 -10.420 -23.900 140 HD13 ILE 16 HD13 ILE 16 13.434 -11.241 -23.777 141 H GLU 17 H GLU 17 8.705 -12.198 -20.265 142 HA GLU 17 HA GLU 17 6.931 -10.075 -20.999 143 HB2 GLU 17 HB2 GLU 17 6.807 -12.456 -19.221 144 HB3 GLU 17 HB3 GLU 17 5.670 -11.152 -18.907 145 HG2 GLU 17 HG2 GLU 17 4.481 -12.518 -20.324 146 HG3 GLU 17 HG3 GLU 17 5.145 -11.317 -21.430 147 H TYR 18 H TYR 18 8.937 -10.822 -18.201 148 HA TYR 18 HA TYR 18 7.983 -8.921 -16.412 149 HB2 TYR 18 HB2 TYR 18 9.525 -10.014 -15.212 150 HB3 TYR 18 HB3 TYR 18 10.328 -10.594 -16.667 151 HD1 TYR 18 HD1 TYR 18 10.099 -7.663 -14.391 152 HD2 TYR 18 HD2 TYR 18 12.419 -9.740 -17.290 153 HE1 TYR 18 HE1 TYR 18 12.002 -6.177 -13.924 154 HE2 TYR 18 HE2 TYR 18 14.329 -8.261 -16.830 155 HH TYR 18 HH TYR 18 14.674 -5.933 -15.915 156 H GLU 19 H GLU 19 10.445 -8.604 -18.941 157 HA GLU 19 HA GLU 19 11.335 -6.036 -18.399 158 HB2 GLU 19 HB2 GLU 19 11.052 -7.567 -20.973 159 HB3 GLU 19 HB3 GLU 19 11.700 -5.933 -20.949 160 HG2 GLU 19 HG2 GLU 19 13.306 -6.887 -19.140 161 HG3 GLU 19 HG3 GLU 19 12.857 -8.444 -19.835 162 H HIS 20 H HIS 20 8.466 -7.093 -20.152 163 HA HIS 20 HA HIS 20 7.720 -4.386 -20.850 164 HB2 HIS 20 HB2 HIS 20 6.347 -7.050 -21.222 165 HB3 HIS 20 HB3 HIS 20 5.633 -5.519 -21.722 166 HD1 HIS 20 HD1 HIS 20 7.153 -4.138 -23.524 167 HD2 HIS 20 HD2 HIS 20 7.943 -8.195 -23.094 168 HE1 HIS 20 HE1 HIS 20 8.435 -4.795 -25.585 169 H TYR 21 H TYR 21 7.111 -6.648 -18.313 170 HA TYR 21 HA TYR 21 4.644 -5.788 -17.359 171 HB2 TYR 21 HB2 TYR 21 5.150 -7.511 -16.020 172 HB3 TYR 21 HB3 TYR 21 6.869 -7.356 -16.364 173 HD1 TYR 21 HD1 TYR 21 4.210 -6.658 -14.002 174 HD2 TYR 21 HD2 TYR 21 8.275 -5.855 -14.969 175 HE1 TYR 21 HE1 TYR 21 4.584 -5.830 -11.716 176 HE2 TYR 21 HE2 TYR 21 8.660 -5.026 -12.686 177 HH TYR 21 HH TYR 21 7.790 -4.988 -10.569 178 H VAL 22 H VAL 22 7.759 -4.279 -17.199 179 HA VAL 22 HA VAL 22 7.024 -2.421 -15.112 180 HB VAL 22 HB VAL 22 9.422 -2.437 -16.949 181 HG11 VAL 22 HG11 VAL 22 9.051 -0.208 -16.151 182 HG12 VAL 22 HG12 VAL 22 8.803 -0.788 -14.503 183 HG13 VAL 22 HG13 VAL 22 10.398 -0.901 -15.250 184 HG21 VAL 22 HG21 VAL 22 9.021 -3.447 -14.139 185 HG22 VAL 22 HG22 VAL 22 9.458 -4.386 -15.567 186 HG23 VAL 22 HG23 VAL 22 10.603 -3.229 -14.888 187 H LYS 23 H LYS 23 6.714 -2.615 -18.515 188 HA LYS 23 HA LYS 23 6.808 0.059 -19.288 189 HB2 LYS 23 HB2 LYS 23 5.036 -2.153 -20.341 190 HB3 LYS 23 HB3 LYS 23 5.320 -0.619 -21.152 191 HG2 LYS 23 HG2 LYS 23 7.597 -2.425 -20.433 192 HG3 LYS 23 HG3 LYS 23 6.655 -2.677 -21.905 193 HD2 LYS 23 HD2 LYS 23 7.123 -0.231 -22.434 194 HD3 LYS 23 HD3 LYS 23 8.319 -0.291 -21.137 195 HE2 LYS 23 HE2 LYS 23 9.217 -2.369 -22.393 196 HE3 LYS 23 HE3 LYS 23 8.290 -1.745 -23.757 197 HZ1 LYS 23 HZ1 LYS 23 10.551 -0.958 -23.854 198 HZ2 LYS 23 HZ2 LYS 23 10.440 -0.308 -22.296 199 HZ3 LYS 23 HZ3 LYS 23 9.518 0.348 -23.553 200 H HIS 24 H HIS 24 4.139 -1.823 -17.927 201 HA HIS 24 HA HIS 24 2.235 0.297 -18.123 202 HB2 HIS 24 HB2 HIS 24 1.117 -1.696 -18.001 203 HB3 HIS 24 HB3 HIS 24 2.308 -2.422 -16.925 204 HD1 HIS 24 HD1 HIS 24 -0.066 0.537 -16.521 205 HD2 HIS 24 HD2 HIS 24 1.081 -2.958 -14.588 206 HE1 HIS 24 HE1 HIS 24 -1.395 0.482 -14.387 207 H LEU 25 H LEU 25 4.446 -0.848 -15.644 208 HA LEU 25 HA LEU 25 3.483 0.456 -13.411 209 HB2 LEU 25 HB2 LEU 25 6.169 -0.403 -14.329 210 HB3 LEU 25 HB3 LEU 25 6.097 0.705 -12.961 211 HG LEU 25 HG LEU 25 5.244 -0.870 -11.553 212 HD11 LEU 25 HD11 LEU 25 3.970 -2.878 -12.367 213 HD12 LEU 25 HD12 LEU 25 4.004 -2.155 -13.975 214 HD13 LEU 25 HD13 LEU 25 3.191 -1.321 -12.650 215 HD21 LEU 25 HD21 LEU 25 6.774 -2.496 -11.620 216 HD22 LEU 25 HD22 LEU 25 7.341 -1.722 -13.100 217 HD23 LEU 25 HD23 LEU 25 6.218 -3.080 -13.189 218 H PHE 26 H PHE 26 5.621 1.724 -15.941 219 HA PHE 26 HA PHE 26 6.248 4.188 -14.914 220 HB2 PHE 26 HB2 PHE 26 5.557 3.520 -17.783 221 HB3 PHE 26 HB3 PHE 26 6.395 4.978 -17.261 222 HD1 PHE 26 HD1 PHE 26 6.928 1.994 -18.782 223 HD2 PHE 26 HD2 PHE 26 8.428 4.273 -15.516 224 HE1 PHE 26 HE1 PHE 26 9.078 0.809 -18.947 225 HE2 PHE 26 HE2 PHE 26 10.580 3.092 -15.675 226 HZ PHE 26 HZ PHE 26 10.908 1.358 -17.393 227 H ASP 27 H ASP 27 3.199 3.102 -16.217 228 HA ASP 27 HA ASP 27 1.887 5.443 -16.784 229 HB2 ASP 27 HB2 ASP 27 0.999 3.071 -16.970 230 HB3 ASP 27 HB3 ASP 27 0.602 3.179 -15.257 231 H ILE 28 H ILE 28 2.114 3.878 -13.594 232 HA ILE 28 HA ILE 28 1.109 6.339 -12.357 233 HB ILE 28 HB ILE 28 0.652 5.088 -10.397 234 HG12 ILE 28 HG12 ILE 28 2.269 2.866 -11.660 235 HG13 ILE 28 HG13 ILE 28 2.697 3.800 -10.231 236 HG21 ILE 28 HG21 ILE 28 -0.064 2.995 -12.372 237 HG22 ILE 28 HG22 ILE 28 -1.061 3.803 -11.164 238 HG23 ILE 28 HG23 ILE 28 -0.649 4.633 -12.665 239 HD11 ILE 28 HD11 ILE 28 0.331 1.954 -10.442 240 HD12 ILE 28 HD12 ILE 28 1.877 1.554 -9.692 241 HD13 ILE 28 HD13 ILE 28 0.864 2.824 -9.004 242 H GLY 29 H GLY 29 3.944 4.333 -12.624 243 HA2 GLY 29 HA2 GLY 29 6.125 5.256 -12.294 244 HA3 GLY 29 HA3 GLY 29 5.441 6.357 -11.107 245 H GLU 30 H GLU 30 4.537 3.012 -11.048 246 HA GLU 30 HA GLU 30 5.227 2.633 -8.378 247 HB2 GLU 30 HB2 GLU 30 3.996 1.126 -10.401 248 HB3 GLU 30 HB3 GLU 30 5.344 0.145 -9.842 249 HG2 GLU 30 HG2 GLU 30 3.136 1.285 -8.146 250 HG3 GLU 30 HG3 GLU 30 3.340 -0.401 -8.616 251 H ILE 31 H ILE 31 6.850 1.093 -11.159 252 HA ILE 31 HA ILE 31 9.327 1.058 -9.565 253 HB ILE 31 HB ILE 31 8.519 -0.741 -11.854 254 HG12 ILE 31 HG12 ILE 31 7.310 -1.266 -9.808 255 HG13 ILE 31 HG13 ILE 31 8.519 -2.508 -10.116 256 HG21 ILE 31 HG21 ILE 31 10.581 -1.993 -11.271 257 HG22 ILE 31 HG22 ILE 31 10.894 -0.381 -11.912 258 HG23 ILE 31 HG23 ILE 31 11.024 -0.681 -10.179 259 HD11 ILE 31 HD11 ILE 31 10.001 -1.129 -8.520 260 HD12 ILE 31 HD12 ILE 31 8.482 -0.391 -8.013 261 HD13 ILE 31 HD13 ILE 31 8.715 -2.131 -7.849 262 H THR 32 H THR 32 11.092 2.077 -10.300 263 HA THR 32 HA THR 32 10.852 3.693 -12.689 264 HB THR 32 HB THR 32 12.903 4.756 -12.011 265 HG1 THR 32 HG1 THR 32 13.094 2.754 -9.988 266 HG21 THR 32 HG21 THR 32 10.603 4.815 -10.541 267 HG22 THR 32 HG22 THR 32 11.982 5.887 -10.297 268 HG23 THR 32 HG23 THR 32 11.807 4.437 -9.309 269 H LYS 33 H LYS 33 12.694 3.823 -14.231 270 HA LYS 33 HA LYS 33 13.130 1.397 -15.518 271 HB2 LYS 33 HB2 LYS 33 14.531 4.056 -15.683 272 HB3 LYS 33 HB3 LYS 33 15.032 2.694 -16.676 273 HG2 LYS 33 HG2 LYS 33 13.590 3.654 -18.127 274 HG3 LYS 33 HG3 LYS 33 12.433 2.658 -17.240 275 HD2 LYS 33 HD2 LYS 33 11.592 4.928 -17.501 276 HD3 LYS 33 HD3 LYS 33 11.903 4.573 -15.800 277 HE2 LYS 33 HE2 LYS 33 13.349 6.256 -15.651 278 HE3 LYS 33 HE3 LYS 33 14.253 5.668 -17.045 279 HZ1 LYS 33 HZ1 LYS 33 13.554 7.577 -17.959 280 HZ2 LYS 33 HZ2 LYS 33 12.261 7.762 -16.883 281 HZ3 LYS 33 HZ3 LYS 33 12.107 6.740 -18.222 282 H GLU 34 H GLU 34 14.960 2.977 -13.000 283 HA GLU 34 HA GLU 34 17.420 1.772 -13.174 284 HB2 GLU 34 HB2 GLU 34 17.217 3.360 -11.480 285 HB3 GLU 34 HB3 GLU 34 15.753 2.630 -10.837 286 HG2 GLU 34 HG2 GLU 34 16.880 1.183 -9.536 287 HG3 GLU 34 HG3 GLU 34 18.169 0.956 -10.716 288 H LEU 35 H LEU 35 14.405 0.404 -12.000 289 HA LEU 35 HA LEU 35 15.643 -2.028 -11.074 290 HB2 LEU 35 HB2 LEU 35 13.172 -0.740 -10.716 291 HB3 LEU 35 HB3 LEU 35 12.815 -2.276 -11.503 292 HG LEU 35 HG LEU 35 14.168 -3.374 -9.658 293 HD11 LEU 35 HD11 LEU 35 15.412 -1.641 -8.716 294 HD12 LEU 35 HD12 LEU 35 14.143 -1.948 -7.530 295 HD13 LEU 35 HD13 LEU 35 14.017 -0.565 -8.618 296 HD21 LEU 35 HD21 LEU 35 11.578 -3.023 -9.872 297 HD22 LEU 35 HD22 LEU 35 11.819 -1.964 -8.482 298 HD23 LEU 35 HD23 LEU 35 12.279 -3.664 -8.386 299 H TYR 36 H TYR 36 13.503 -1.132 -13.771 300 HA TYR 36 HA TYR 36 13.246 -3.594 -14.988 301 HB2 TYR 36 HB2 TYR 36 11.925 -1.947 -15.943 302 HB3 TYR 36 HB3 TYR 36 13.244 -0.784 -16.017 303 HD1 TYR 36 HD1 TYR 36 12.686 -4.229 -17.375 304 HD2 TYR 36 HD2 TYR 36 13.769 -0.193 -18.176 305 HE1 TYR 36 HE1 TYR 36 13.051 -4.802 -19.739 306 HE2 TYR 36 HE2 TYR 36 14.136 -0.755 -20.542 307 HH TYR 36 HH TYR 36 13.103 -2.777 -22.136 308 H ILE 37 H ILE 37 15.917 -1.312 -15.156 309 HA ILE 37 HA ILE 37 17.334 -2.848 -17.149 310 HB ILE 37 HB ILE 37 18.081 -0.426 -15.522 311 HG12 ILE 37 HG12 ILE 37 18.322 -0.085 -18.338 312 HG13 ILE 37 HG13 ILE 37 16.773 -0.859 -18.024 313 HG21 ILE 37 HG21 ILE 37 20.118 -1.628 -15.748 314 HG22 ILE 37 HG22 ILE 37 19.777 -2.013 -17.434 315 HG23 ILE 37 HG23 ILE 37 20.136 -0.351 -16.965 316 HD11 ILE 37 HD11 ILE 37 15.916 0.965 -17.018 317 HD12 ILE 37 HD12 ILE 37 17.461 1.441 -16.314 318 HD13 ILE 37 HD13 ILE 37 17.122 1.783 -18.010 319 H GLU 38 H GLU 38 17.906 -2.020 -13.727 320 HA GLU 38 HA GLU 38 20.175 -3.521 -13.286 321 HB2 GLU 38 HB2 GLU 38 17.896 -2.708 -11.519 322 HB3 GLU 38 HB3 GLU 38 19.146 -3.773 -10.892 323 HG2 GLU 38 HG2 GLU 38 19.893 -1.213 -12.233 324 HG3 GLU 38 HG3 GLU 38 19.349 -1.217 -10.556 325 H LEU 39 H LEU 39 16.835 -4.581 -12.603 326 HA LEU 39 HA LEU 39 17.457 -7.230 -11.986 327 HB2 LEU 39 HB2 LEU 39 14.992 -5.838 -12.936 328 HB3 LEU 39 HB3 LEU 39 15.011 -7.597 -12.830 329 HG LEU 39 HG LEU 39 15.464 -7.465 -10.441 330 HD11 LEU 39 HD11 LEU 39 16.762 -5.445 -10.339 331 HD12 LEU 39 HD12 LEU 39 15.346 -5.269 -9.302 332 HD13 LEU 39 HD13 LEU 39 15.386 -4.484 -10.881 333 HD21 LEU 39 HD21 LEU 39 13.155 -5.667 -11.162 334 HD22 LEU 39 HD22 LEU 39 13.317 -6.682 -9.728 335 HD23 LEU 39 HD23 LEU 39 13.130 -7.424 -11.318 336 H SER 40 H SER 40 16.856 -5.670 -15.076 337 HA SER 40 HA SER 40 16.558 -7.949 -16.671 338 HB2 SER 40 HB2 SER 40 17.232 -5.106 -17.123 339 HB3 SER 40 HB3 SER 40 17.760 -6.220 -18.383 340 HG SER 40 HG SER 40 15.758 -6.487 -18.970 341 H SER 41 H SER 41 19.478 -5.914 -16.667 342 HA SER 41 HA SER 41 21.690 -6.418 -16.841 343 HB2 SER 41 HB2 SER 41 21.098 -7.771 -14.758 344 HB3 SER 41 HB3 SER 41 21.026 -9.179 -15.817 345 HG SER 41 HG SER 41 23.153 -8.185 -14.687 346 H ASP 42 H ASP 42 20.044 -6.780 -19.106 347 HA ASP 42 HA ASP 42 21.550 -8.888 -20.501 348 HB2 ASP 42 HB2 ASP 42 18.812 -8.960 -20.024 349 HB3 ASP 42 HB3 ASP 42 18.938 -8.373 -21.679 350 H LEU 43 H LEU 43 21.357 -8.556 -22.964 351 HA LEU 43 HA LEU 43 21.642 -5.678 -23.535 352 HB2 LEU 43 HB2 LEU 43 23.467 -7.827 -23.896 353 HB3 LEU 43 HB3 LEU 43 22.986 -7.243 -25.488 354 HG LEU 43 HG LEU 43 23.563 -4.898 -24.370 355 HD11 LEU 43 HD11 LEU 43 24.750 -6.912 -22.598 356 HD12 LEU 43 HD12 LEU 43 24.376 -5.214 -22.304 357 HD13 LEU 43 HD13 LEU 43 25.861 -5.656 -23.146 358 HD21 LEU 43 HD21 LEU 43 26.037 -5.525 -25.152 359 HD22 LEU 43 HD22 LEU 43 24.714 -5.259 -26.289 360 HD23 LEU 43 HD23 LEU 43 25.173 -6.902 -25.837 Start of MODEL 16 1 H1 MET 1 H MET 1 -0.138 0.001 -3.373 2 HA MET 1 HA MET 1 1.136 1.885 -3.135 3 HB2 MET 1 HB2 MET 1 1.224 0.419 -0.558 4 HB3 MET 1 HB3 MET 1 2.360 1.749 -0.743 5 HG2 MET 1 HG2 MET 1 0.720 3.077 -0.068 6 HG3 MET 1 HG3 MET 1 -0.016 2.808 -1.646 7 HE1 MET 1 HE1 MET 1 -1.593 3.161 1.734 8 HE2 MET 1 HE2 MET 1 -1.742 3.834 0.110 9 HE3 MET 1 HE3 MET 1 -3.007 2.783 0.748 10 H ASN 2 H ASN 2 3.162 -0.636 -1.621 11 HA ASN 2 HA ASN 2 5.531 0.504 -2.829 12 HB2 ASN 2 HB2 ASN 2 5.259 -1.997 -1.147 13 HB3 ASN 2 HB3 ASN 2 6.756 -1.155 -1.537 14 HD21 ASN 2 HD21 ASN 2 6.976 1.051 -0.743 15 HD22 ASN 2 HD22 ASN 2 6.244 1.470 0.766 16 H LYS 3 H LYS 3 7.136 -1.525 -3.469 17 HA LYS 3 HA LYS 3 5.699 -3.014 -5.568 18 HB2 LYS 3 HB2 LYS 3 7.858 -2.812 -6.894 19 HB3 LYS 3 HB3 LYS 3 6.906 -1.343 -6.728 20 HG2 LYS 3 HG2 LYS 3 8.637 -0.288 -5.847 21 HG3 LYS 3 HG3 LYS 3 8.751 -1.492 -4.560 22 HD2 LYS 3 HD2 LYS 3 10.410 -2.645 -5.601 23 HD3 LYS 3 HD3 LYS 3 9.807 -2.267 -7.216 24 HE2 LYS 3 HE2 LYS 3 11.962 -1.186 -6.769 25 HE3 LYS 3 HE3 LYS 3 10.679 -0.006 -7.033 26 HZ1 LYS 3 HZ1 LYS 3 11.670 -0.861 -4.368 27 HZ2 LYS 3 HZ2 LYS 3 10.517 0.338 -4.671 28 HZ3 LYS 3 HZ3 LYS 3 12.122 0.567 -5.154 29 H GLU 4 H GLU 4 6.342 -3.908 -2.902 30 HA GLU 4 HA GLU 4 8.624 -5.665 -3.133 31 HB2 GLU 4 HB2 GLU 4 6.506 -5.647 -0.980 32 HB3 GLU 4 HB3 GLU 4 8.115 -6.349 -0.885 33 HG2 GLU 4 HG2 GLU 4 9.105 -4.129 -1.023 34 HG3 GLU 4 HG3 GLU 4 7.498 -3.415 -1.145 35 H HIS 5 H HIS 5 5.098 -5.980 -3.078 36 HA HIS 5 HA HIS 5 5.223 -8.844 -3.456 37 HB2 HIS 5 HB2 HIS 5 2.793 -8.762 -3.443 38 HB3 HIS 5 HB3 HIS 5 3.425 -7.802 -2.108 39 HD1 HIS 5 HD1 HIS 5 1.186 -7.626 -4.967 40 HD2 HIS 5 HD2 HIS 5 3.345 -4.925 -2.665 41 HE1 HIS 5 HE1 HIS 5 0.167 -5.376 -5.438 42 H ILE 6 H ILE 6 4.586 -5.978 -5.389 43 HA ILE 6 HA ILE 6 3.531 -7.119 -7.680 44 HB ILE 6 HB ILE 6 3.848 -4.655 -7.216 45 HG12 ILE 6 HG12 ILE 6 4.661 -5.768 -9.908 46 HG13 ILE 6 HG13 ILE 6 3.024 -5.417 -9.364 47 HG21 ILE 6 HG21 ILE 6 5.857 -3.595 -7.489 48 HG22 ILE 6 HG22 ILE 6 6.408 -5.140 -6.844 49 HG23 ILE 6 HG23 ILE 6 6.486 -4.830 -8.579 50 HD11 ILE 6 HD11 ILE 6 4.490 -3.037 -9.082 51 HD12 ILE 6 HD12 ILE 6 4.896 -3.708 -10.662 52 HD13 ILE 6 HD13 ILE 6 3.211 -3.402 -10.241 53 H LEU 7 H LEU 7 6.852 -7.019 -6.561 54 HA LEU 7 HA LEU 7 8.196 -7.709 -8.892 55 HB2 LEU 7 HB2 LEU 7 8.783 -7.519 -6.134 56 HB3 LEU 7 HB3 LEU 7 9.359 -9.093 -6.680 57 HG LEU 7 HG LEU 7 10.676 -7.948 -8.442 58 HD11 LEU 7 HD11 LEU 7 9.088 -5.867 -8.222 59 HD12 LEU 7 HD12 LEU 7 10.776 -5.677 -8.692 60 HD13 LEU 7 HD13 LEU 7 10.284 -5.359 -7.029 61 HD21 LEU 7 HD21 LEU 7 11.099 -7.600 -5.535 62 HD22 LEU 7 HD22 LEU 7 12.143 -6.670 -6.610 63 HD23 LEU 7 HD23 LEU 7 12.089 -8.429 -6.737 64 H ALA 8 H ALA 8 6.414 -9.716 -6.626 65 HA ALA 8 HA ALA 8 7.263 -12.236 -7.504 66 HB1 ALA 8 HB1 ALA 8 5.831 -11.598 -5.461 67 HB2 ALA 8 HB2 ALA 8 4.463 -11.730 -6.567 68 HB3 ALA 8 HB3 ALA 8 5.499 -13.127 -6.277 69 H GLN 9 H GLN 9 4.831 -10.038 -8.764 70 HA GLN 9 HA GLN 9 3.544 -11.826 -10.513 71 HB2 GLN 9 HB2 GLN 9 3.907 -8.869 -10.988 72 HB3 GLN 9 HB3 GLN 9 2.603 -9.898 -11.566 73 HG2 GLN 9 HG2 GLN 9 3.125 -9.021 -8.739 74 HG3 GLN 9 HG3 GLN 9 1.771 -8.572 -9.774 75 HE21 GLN 9 HE21 GLN 9 2.420 -10.266 -7.169 76 HE22 GLN 9 HE22 GLN 9 1.314 -11.584 -7.332 77 H LYS 10 H LYS 10 6.326 -9.684 -10.961 78 HA LYS 10 HA LYS 10 6.681 -10.549 -13.705 79 HB2 LYS 10 HB2 LYS 10 8.551 -8.996 -13.753 80 HB3 LYS 10 HB3 LYS 10 7.137 -8.213 -13.059 81 HG2 LYS 10 HG2 LYS 10 8.082 -8.005 -11.013 82 HG3 LYS 10 HG3 LYS 10 9.012 -9.497 -11.168 83 HD2 LYS 10 HD2 LYS 10 10.779 -8.450 -12.119 84 HD3 LYS 10 HD3 LYS 10 9.761 -7.311 -13.005 85 HE2 LYS 10 HE2 LYS 10 9.302 -6.402 -10.557 86 HE3 LYS 10 HE3 LYS 10 10.877 -7.136 -10.255 87 HZ1 LYS 10 HZ1 LYS 10 11.128 -5.718 -12.612 88 HZ2 LYS 10 HZ2 LYS 10 11.777 -5.315 -11.103 89 HZ3 LYS 10 HZ3 LYS 10 10.270 -4.701 -11.566 90 H GLU 11 H GLU 11 7.567 -11.658 -10.652 91 HA GLU 11 HA GLU 11 10.030 -12.926 -11.573 92 HB2 GLU 11 HB2 GLU 11 8.731 -12.535 -8.906 93 HB3 GLU 11 HB3 GLU 11 9.900 -13.832 -9.109 94 HG2 GLU 11 HG2 GLU 11 10.760 -11.220 -10.130 95 HG3 GLU 11 HG3 GLU 11 10.517 -11.302 -8.386 96 H VAL 12 H VAL 12 6.922 -13.578 -11.995 97 HA VAL 12 HA VAL 12 7.335 -16.489 -11.814 98 HB VAL 12 HB VAL 12 4.982 -16.810 -11.291 99 HG11 VAL 12 HG11 VAL 12 6.220 -16.774 -9.338 100 HG12 VAL 12 HG12 VAL 12 6.614 -15.061 -9.497 101 HG13 VAL 12 HG13 VAL 12 4.988 -15.553 -9.020 102 HG21 VAL 12 HG21 VAL 12 4.758 -14.118 -12.163 103 HG22 VAL 12 HG22 VAL 12 3.471 -15.240 -11.722 104 HG23 VAL 12 HG23 VAL 12 4.194 -14.201 -10.494 105 H LEU 13 H LEU 13 7.642 -14.485 -14.012 106 HA LEU 13 HA LEU 13 5.964 -15.886 -15.964 107 HB2 LEU 13 HB2 LEU 13 5.851 -13.579 -17.155 108 HB3 LEU 13 HB3 LEU 13 4.713 -13.966 -15.867 109 HG LEU 13 HG LEU 13 6.235 -12.691 -14.305 110 HD11 LEU 13 HD11 LEU 13 8.240 -12.749 -15.709 111 HD12 LEU 13 HD12 LEU 13 7.778 -11.098 -15.297 112 HD13 LEU 13 HD13 LEU 13 7.429 -11.736 -16.904 113 HD21 LEU 13 HD21 LEU 13 5.516 -10.436 -15.366 114 HD22 LEU 13 HD22 LEU 13 4.280 -11.576 -14.837 115 HD23 LEU 13 HD23 LEU 13 4.692 -11.453 -16.548 116 H THR 14 H THR 14 6.735 -15.375 -18.253 117 HA THR 14 HA THR 14 9.371 -16.190 -18.565 118 HB THR 14 HB THR 14 8.950 -14.952 -20.936 119 HG1 THR 14 HG1 THR 14 6.900 -14.139 -20.037 120 HG21 THR 14 HG21 THR 14 7.344 -17.394 -20.653 121 HG22 THR 14 HG22 THR 14 8.985 -17.519 -20.019 122 HG23 THR 14 HG23 THR 14 8.722 -17.058 -21.701 123 HA PRO 15 HA PRO 15 11.937 -12.646 -18.233 124 HB2 PRO 15 HB2 PRO 15 13.703 -13.000 -20.264 125 HB3 PRO 15 HB3 PRO 15 13.712 -13.990 -18.800 126 HG2 PRO 15 HG2 PRO 15 12.558 -14.603 -21.493 127 HG3 PRO 15 HG3 PRO 15 13.492 -15.652 -20.411 128 HD2 PRO 15 HD2 PRO 15 10.795 -15.790 -20.602 129 HD3 PRO 15 HD3 PRO 15 11.664 -16.133 -19.092 130 H ILE 16 H ILE 16 10.290 -13.225 -21.235 131 HA ILE 16 HA ILE 16 10.965 -10.677 -22.401 132 HB ILE 16 HB ILE 16 9.182 -12.943 -23.192 133 HG12 ILE 16 HG12 ILE 16 10.935 -11.621 -25.145 134 HG13 ILE 16 HG13 ILE 16 11.784 -12.282 -23.752 135 HG21 ILE 16 HG21 ILE 16 7.743 -11.136 -23.671 136 HG22 ILE 16 HG22 ILE 16 9.068 -10.141 -24.272 137 HG23 ILE 16 HG23 ILE 16 8.528 -11.542 -25.197 138 HD11 ILE 16 HD11 ILE 16 11.457 -14.395 -24.406 139 HD12 ILE 16 HD12 ILE 16 9.810 -14.081 -24.954 140 HD13 ILE 16 HD13 ILE 16 11.177 -13.669 -25.989 141 H GLU 17 H GLU 17 8.331 -12.035 -20.533 142 HA GLU 17 HA GLU 17 6.595 -9.772 -20.929 143 HB2 GLU 17 HB2 GLU 17 6.486 -12.234 -19.211 144 HB3 GLU 17 HB3 GLU 17 5.335 -10.925 -18.979 145 HG2 GLU 17 HG2 GLU 17 4.721 -11.143 -21.388 146 HG3 GLU 17 HG3 GLU 17 5.739 -12.581 -21.456 147 H TYR 18 H TYR 18 8.852 -10.883 -18.476 148 HA TYR 18 HA TYR 18 8.157 -9.079 -16.438 149 HB2 TYR 18 HB2 TYR 18 9.664 -10.342 -15.378 150 HB3 TYR 18 HB3 TYR 18 10.191 -11.033 -16.909 151 HD1 TYR 18 HD1 TYR 18 10.751 -8.208 -14.573 152 HD2 TYR 18 HD2 TYR 18 12.285 -10.470 -17.834 153 HE1 TYR 18 HE1 TYR 18 12.921 -7.077 -14.328 154 HE2 TYR 18 HE2 TYR 18 14.460 -9.346 -17.598 155 HH TYR 18 HH TYR 18 14.990 -6.639 -16.211 156 H GLU 19 H GLU 19 10.130 -8.735 -19.298 157 HA GLU 19 HA GLU 19 11.498 -6.378 -18.576 158 HB2 GLU 19 HB2 GLU 19 10.925 -7.824 -21.106 159 HB3 GLU 19 HB3 GLU 19 11.389 -6.134 -21.244 160 HG2 GLU 19 HG2 GLU 19 13.430 -6.608 -19.962 161 HG3 GLU 19 HG3 GLU 19 12.970 -8.308 -19.891 162 H HIS 20 H HIS 20 8.728 -6.729 -20.801 163 HA HIS 20 HA HIS 20 8.154 -3.939 -20.782 164 HB2 HIS 20 HB2 HIS 20 6.726 -4.426 -22.461 165 HB3 HIS 20 HB3 HIS 20 7.474 -6.020 -22.416 166 HD1 HIS 20 HD1 HIS 20 4.268 -4.359 -22.120 167 HD2 HIS 20 HD2 HIS 20 5.941 -7.908 -20.753 168 HE1 HIS 20 HE1 HIS 20 2.323 -5.806 -21.449 169 H TYR 21 H TYR 21 7.475 -6.454 -18.620 170 HA TYR 21 HA TYR 21 4.958 -5.844 -17.631 171 HB2 TYR 21 HB2 TYR 21 5.604 -7.668 -16.489 172 HB3 TYR 21 HB3 TYR 21 7.311 -7.288 -16.690 173 HD1 TYR 21 HD1 TYR 21 4.406 -7.011 -14.501 174 HD2 TYR 21 HD2 TYR 21 8.487 -5.929 -15.025 175 HE1 TYR 21 HE1 TYR 21 4.541 -6.393 -12.124 176 HE2 TYR 21 HE2 TYR 21 8.634 -5.310 -12.650 177 HH TYR 21 HH TYR 21 7.014 -6.211 -10.409 178 H VAL 22 H VAL 22 7.979 -4.173 -17.221 179 HA VAL 22 HA VAL 22 7.058 -2.547 -15.022 180 HB VAL 22 HB VAL 22 9.507 -2.247 -16.767 181 HG11 VAL 22 HG11 VAL 22 8.968 -0.132 -15.776 182 HG12 VAL 22 HG12 VAL 22 8.712 -0.882 -14.199 183 HG13 VAL 22 HG13 VAL 22 10.331 -0.824 -14.897 184 HG21 VAL 22 HG21 VAL 22 9.174 -3.460 -14.024 185 HG22 VAL 22 HG22 VAL 22 9.512 -4.337 -15.517 186 HG23 VAL 22 HG23 VAL 22 10.709 -3.220 -14.861 187 H LYS 23 H LYS 23 6.872 -2.457 -18.439 188 HA LYS 23 HA LYS 23 6.794 0.295 -18.935 189 HB2 LYS 23 HB2 LYS 23 5.273 -1.909 -20.341 190 HB3 LYS 23 HB3 LYS 23 5.541 -0.290 -20.972 191 HG2 LYS 23 HG2 LYS 23 7.852 -2.036 -20.227 192 HG3 LYS 23 HG3 LYS 23 7.043 -2.215 -21.786 193 HD2 LYS 23 HD2 LYS 23 7.387 0.325 -22.017 194 HD3 LYS 23 HD3 LYS 23 8.553 0.143 -20.705 195 HE2 LYS 23 HE2 LYS 23 9.948 -0.141 -22.485 196 HE3 LYS 23 HE3 LYS 23 9.438 -1.812 -22.252 197 HZ1 LYS 23 HZ1 LYS 23 9.333 -0.628 -24.593 198 HZ2 LYS 23 HZ2 LYS 23 7.815 -0.151 -24.021 199 HZ3 LYS 23 HZ3 LYS 23 8.198 -1.794 -24.132 200 H HIS 24 H HIS 24 4.326 -1.920 -17.773 201 HA HIS 24 HA HIS 24 2.185 -0.024 -17.978 202 HB2 HIS 24 HB2 HIS 24 1.371 -2.186 -18.040 203 HB3 HIS 24 HB3 HIS 24 2.512 -2.763 -16.829 204 HD1 HIS 24 HD1 HIS 24 -0.196 -0.084 -16.678 205 HD2 HIS 24 HD2 HIS 24 1.051 -3.513 -14.691 206 HE1 HIS 24 HE1 HIS 24 -1.757 -0.333 -14.722 207 H LEU 25 H LEU 25 4.461 -1.003 -15.501 208 HA LEU 25 HA LEU 25 3.255 0.048 -13.236 209 HB2 LEU 25 HB2 LEU 25 6.067 -0.436 -14.071 210 HB3 LEU 25 HB3 LEU 25 5.784 0.528 -12.624 211 HG LEU 25 HG LEU 25 5.090 -1.257 -11.403 212 HD11 LEU 25 HD11 LEU 25 4.049 -3.294 -12.421 213 HD12 LEU 25 HD12 LEU 25 4.078 -2.455 -13.972 214 HD13 LEU 25 HD13 LEU 25 3.131 -1.803 -12.634 215 HD21 LEU 25 HD21 LEU 25 6.747 -2.763 -11.566 216 HD22 LEU 25 HD22 LEU 25 7.328 -1.726 -12.868 217 HD23 LEU 25 HD23 LEU 25 6.364 -3.155 -13.242 218 H PHE 26 H PHE 26 5.492 1.664 -15.484 219 HA PHE 26 HA PHE 26 5.732 4.120 -14.329 220 HB2 PHE 26 HB2 PHE 26 5.317 3.587 -17.279 221 HB3 PHE 26 HB3 PHE 26 6.024 5.046 -16.591 222 HD1 PHE 26 HD1 PHE 26 6.813 2.139 -18.213 223 HD2 PHE 26 HD2 PHE 26 8.001 4.408 -14.813 224 HE1 PHE 26 HE1 PHE 26 9.038 1.092 -18.296 225 HE2 PHE 26 HE2 PHE 26 10.228 3.365 -14.891 226 HZ PHE 26 HZ PHE 26 10.749 1.706 -16.634 227 H ASP 27 H ASP 27 2.942 2.823 -15.994 228 HA ASP 27 HA ASP 27 1.450 5.077 -16.500 229 HB2 ASP 27 HB2 ASP 27 0.832 2.694 -17.044 230 HB3 ASP 27 HB3 ASP 27 0.308 2.517 -15.372 231 H ILE 28 H ILE 28 1.526 3.211 -13.469 232 HA ILE 28 HA ILE 28 0.073 5.363 -12.124 233 HB ILE 28 HB ILE 28 -0.310 3.873 -10.324 234 HG12 ILE 28 HG12 ILE 28 1.764 2.082 -11.604 235 HG13 ILE 28 HG13 ILE 28 1.910 2.936 -10.072 236 HG21 ILE 28 HG21 ILE 28 -0.491 1.887 -12.520 237 HG22 ILE 28 HG22 ILE 28 -1.705 2.393 -11.346 238 HG23 ILE 28 HG23 ILE 28 -1.334 3.422 -12.729 239 HD11 ILE 28 HD11 ILE 28 -0.090 0.762 -10.636 240 HD12 ILE 28 HD12 ILE 28 1.453 0.533 -9.812 241 HD13 ILE 28 HD13 ILE 28 0.209 1.553 -9.089 242 H GLY 29 H GLY 29 3.224 3.885 -12.295 243 HA2 GLY 29 HA2 GLY 29 5.185 5.107 -11.694 244 HA3 GLY 29 HA3 GLY 29 4.235 5.982 -10.502 245 H GLU 30 H GLU 30 3.946 2.531 -10.789 246 HA GLU 30 HA GLU 30 4.511 2.078 -8.077 247 HB2 GLU 30 HB2 GLU 30 3.574 0.567 -10.254 248 HB3 GLU 30 HB3 GLU 30 5.002 -0.276 -9.671 249 HG2 GLU 30 HG2 GLU 30 2.801 0.596 -7.831 250 HG3 GLU 30 HG3 GLU 30 2.765 -0.947 -8.681 251 H ILE 31 H ILE 31 6.411 0.808 -10.812 252 HA ILE 31 HA ILE 31 8.821 1.104 -9.145 253 HB ILE 31 HB ILE 31 8.329 -0.825 -11.416 254 HG12 ILE 31 HG12 ILE 31 8.571 -1.274 -8.433 255 HG13 ILE 31 HG13 ILE 31 7.098 -1.422 -9.385 256 HG21 ILE 31 HG21 ILE 31 10.653 -0.119 -11.326 257 HG22 ILE 31 HG22 ILE 31 10.719 -0.506 -9.607 258 HG23 ILE 31 HG23 ILE 31 10.494 -1.792 -10.792 259 HD11 ILE 31 HD11 ILE 31 7.567 -3.559 -9.673 260 HD12 ILE 31 HD12 ILE 31 8.989 -3.091 -10.606 261 HD13 ILE 31 HD13 ILE 31 9.125 -3.365 -8.869 262 H THR 32 H THR 32 10.675 1.993 -10.017 263 HA THR 32 HA THR 32 10.258 3.560 -12.462 264 HB THR 32 HB THR 32 12.243 4.866 -11.713 265 HG1 THR 32 HG1 THR 32 12.701 4.455 -9.349 266 HG21 THR 32 HG21 THR 32 10.264 4.776 -9.460 267 HG22 THR 32 HG22 THR 32 9.786 5.334 -11.063 268 HG23 THR 32 HG23 THR 32 11.063 6.172 -10.181 269 H LYS 33 H LYS 33 12.316 3.949 -13.760 270 HA LYS 33 HA LYS 33 13.161 1.605 -14.955 271 HB2 LYS 33 HB2 LYS 33 14.720 4.192 -14.848 272 HB3 LYS 33 HB3 LYS 33 14.869 2.930 -16.063 273 HG2 LYS 33 HG2 LYS 33 12.696 3.396 -16.922 274 HG3 LYS 33 HG3 LYS 33 12.342 4.490 -15.583 275 HD2 LYS 33 HD2 LYS 33 14.440 4.895 -17.715 276 HD3 LYS 33 HD3 LYS 33 12.898 5.744 -17.595 277 HE2 LYS 33 HE2 LYS 33 13.939 6.194 -15.130 278 HE3 LYS 33 HE3 LYS 33 15.404 6.141 -16.109 279 HZ1 LYS 33 HZ1 LYS 33 14.058 8.352 -15.785 280 HZ2 LYS 33 HZ2 LYS 33 13.155 7.744 -17.079 281 HZ3 LYS 33 HZ3 LYS 33 14.817 8.000 -17.256 282 H GLU 34 H GLU 34 14.402 3.210 -12.131 283 HA GLU 34 HA GLU 34 16.961 2.285 -11.898 284 HB2 GLU 34 HB2 GLU 34 14.922 2.347 -9.666 285 HB3 GLU 34 HB3 GLU 34 16.670 2.364 -9.473 286 HG2 GLU 34 HG2 GLU 34 15.845 4.492 -11.212 287 HG3 GLU 34 HG3 GLU 34 14.950 4.555 -9.695 288 H LEU 35 H LEU 35 13.987 0.476 -11.474 289 HA LEU 35 HA LEU 35 15.402 -1.892 -10.567 290 HB2 LEU 35 HB2 LEU 35 12.824 -0.910 -10.236 291 HB3 LEU 35 HB3 LEU 35 12.631 -2.294 -11.310 292 HG LEU 35 HG LEU 35 13.835 -3.682 -9.621 293 HD11 LEU 35 HD11 LEU 35 15.096 -2.162 -8.372 294 HD12 LEU 35 HD12 LEU 35 13.808 -2.663 -7.277 295 HD13 LEU 35 HD13 LEU 35 13.714 -1.103 -8.093 296 HD21 LEU 35 HD21 LEU 35 11.291 -3.349 -9.822 297 HD22 LEU 35 HD22 LEU 35 11.448 -2.382 -8.355 298 HD23 LEU 35 HD23 LEU 35 11.926 -4.081 -8.349 299 H TYR 36 H TYR 36 13.244 -1.083 -13.290 300 HA TYR 36 HA TYR 36 13.489 -3.394 -14.756 301 HB2 TYR 36 HB2 TYR 36 11.928 -1.780 -15.504 302 HB3 TYR 36 HB3 TYR 36 13.159 -0.529 -15.632 303 HD1 TYR 36 HD1 TYR 36 12.062 -3.753 -17.125 304 HD2 TYR 36 HD2 TYR 36 14.257 -0.149 -17.665 305 HE1 TYR 36 HE1 TYR 36 12.354 -4.295 -19.506 306 HE2 TYR 36 HE2 TYR 36 14.554 -0.680 -20.048 307 HH TYR 36 HH TYR 36 12.985 -2.344 -21.773 308 H ILE 37 H ILE 37 15.747 -0.721 -14.501 309 HA ILE 37 HA ILE 37 17.447 -1.559 -16.630 310 HB ILE 37 HB ILE 37 17.995 0.265 -14.287 311 HG12 ILE 37 HG12 ILE 37 16.234 0.915 -16.016 312 HG13 ILE 37 HG13 ILE 37 17.539 2.068 -15.756 313 HG21 ILE 37 HG21 ILE 37 20.082 -0.636 -15.088 314 HG22 ILE 37 HG22 ILE 37 19.638 -0.275 -16.755 315 HG23 ILE 37 HG23 ILE 37 19.933 1.040 -15.617 316 HD11 ILE 37 HD11 ILE 37 16.997 1.813 -18.119 317 HD12 ILE 37 HD12 ILE 37 18.646 1.290 -17.770 318 HD13 ILE 37 HD13 ILE 37 17.375 0.093 -18.020 319 H GLU 38 H GLU 38 17.969 -1.583 -13.097 320 HA GLU 38 HA GLU 38 20.283 -3.106 -13.080 321 HB2 GLU 38 HB2 GLU 38 18.998 -1.881 -11.155 322 HB3 GLU 38 HB3 GLU 38 18.240 -3.450 -10.916 323 HG2 GLU 38 HG2 GLU 38 20.340 -4.480 -10.466 324 HG3 GLU 38 HG3 GLU 38 21.215 -3.024 -10.935 325 H LEU 39 H LEU 39 16.945 -4.266 -12.591 326 HA LEU 39 HA LEU 39 17.477 -6.973 -12.401 327 HB2 LEU 39 HB2 LEU 39 15.130 -5.387 -13.331 328 HB3 LEU 39 HB3 LEU 39 15.122 -7.136 -13.553 329 HG LEU 39 HG LEU 39 13.932 -6.351 -11.513 330 HD11 LEU 39 HD11 LEU 39 16.274 -8.210 -11.338 331 HD12 LEU 39 HD12 LEU 39 14.556 -8.592 -11.448 332 HD13 LEU 39 HD13 LEU 39 15.219 -7.933 -9.953 333 HD21 LEU 39 HD21 LEU 39 15.323 -4.482 -10.899 334 HD22 LEU 39 HD22 LEU 39 16.712 -5.544 -10.668 335 HD23 LEU 39 HD23 LEU 39 15.322 -5.660 -9.586 336 H SER 40 H SER 40 17.169 -4.955 -15.265 337 HA SER 40 HA SER 40 17.326 -7.195 -17.078 338 HB2 SER 40 HB2 SER 40 16.046 -5.175 -17.678 339 HB3 SER 40 HB3 SER 40 17.531 -4.224 -17.631 340 HG SER 40 HG SER 40 18.325 -5.642 -19.304 341 H SER 41 H SER 41 19.295 -8.172 -16.468 342 HA SER 41 HA SER 41 21.726 -6.617 -17.017 343 HB2 SER 41 HB2 SER 41 21.305 -9.201 -15.502 344 HB3 SER 41 HB3 SER 41 22.895 -8.528 -15.864 345 HG SER 41 HG SER 41 21.412 -7.964 -13.809 346 H ASP 42 H ASP 42 20.372 -7.273 -19.265 347 HA ASP 42 HA ASP 42 21.831 -9.587 -20.358 348 HB2 ASP 42 HB2 ASP 42 19.200 -9.410 -20.356 349 HB3 ASP 42 HB3 ASP 42 19.478 -8.385 -21.761 350 H LEU 43 H LEU 43 22.926 -9.389 -22.305 351 HA LEU 43 HA LEU 43 23.160 -6.671 -23.405 352 HB2 LEU 43 HB2 LEU 43 25.618 -7.342 -23.817 353 HB3 LEU 43 HB3 LEU 43 25.131 -6.787 -22.217 354 HG LEU 43 HG LEU 43 25.116 -9.714 -22.715 355 HD11 LEU 43 HD11 LEU 43 27.195 -9.327 -23.702 356 HD12 LEU 43 HD12 LEU 43 27.579 -9.688 -22.020 357 HD13 LEU 43 HD13 LEU 43 27.587 -8.018 -22.586 358 HD21 LEU 43 HD21 LEU 43 25.584 -7.834 -20.439 359 HD22 LEU 43 HD22 LEU 43 26.191 -9.488 -20.356 360 HD23 LEU 43 HD23 LEU 43 24.464 -9.191 -20.563 Start of MODEL 17 1 H1 MET 1 H MET 1 2.902 1.834 1.339 2 HA MET 1 HA MET 1 1.426 1.019 -0.450 3 HB2 MET 1 HB2 MET 1 3.353 2.935 -0.739 4 HB3 MET 1 HB3 MET 1 3.737 1.850 -2.069 5 HG2 MET 1 HG2 MET 1 1.901 2.407 -3.231 6 HG3 MET 1 HG3 MET 1 0.895 2.525 -1.789 7 HE1 MET 1 HE1 MET 1 -0.051 5.872 -2.181 8 HE2 MET 1 HE2 MET 1 0.239 5.259 -3.809 9 HE3 MET 1 HE3 MET 1 -0.375 4.179 -2.556 10 H ASN 2 H ASN 2 1.823 0.193 -2.867 11 HA ASN 2 HA ASN 2 2.710 -2.538 -2.558 12 HB2 ASN 2 HB2 ASN 2 1.639 -1.177 -5.038 13 HB3 ASN 2 HB3 ASN 2 1.745 -2.910 -4.744 14 HD21 ASN 2 HD21 ASN 2 0.468 -3.757 -2.940 15 HD22 ASN 2 HD22 ASN 2 -1.061 -3.028 -2.599 16 H LYS 3 H LYS 3 4.501 -3.462 -3.392 17 HA LYS 3 HA LYS 3 6.012 -2.523 -5.548 18 HB2 LYS 3 HB2 LYS 3 6.416 -0.956 -3.273 19 HB3 LYS 3 HB3 LYS 3 7.803 -2.036 -3.317 20 HG2 LYS 3 HG2 LYS 3 7.975 -1.327 -5.798 21 HG3 LYS 3 HG3 LYS 3 6.951 0.024 -5.307 22 HD2 LYS 3 HD2 LYS 3 8.799 1.069 -4.637 23 HD3 LYS 3 HD3 LYS 3 8.934 -0.132 -3.350 24 HE2 LYS 3 HE2 LYS 3 10.029 -1.539 -5.325 25 HE3 LYS 3 HE3 LYS 3 10.394 0.078 -5.926 26 HZ1 LYS 3 HZ1 LYS 3 11.112 -0.936 -3.228 27 HZ2 LYS 3 HZ2 LYS 3 11.514 0.578 -3.866 28 HZ3 LYS 3 HZ3 LYS 3 12.176 -0.826 -4.539 29 H GLU 4 H GLU 4 5.997 -4.212 -2.467 30 HA GLU 4 HA GLU 4 8.160 -5.970 -3.206 31 HB2 GLU 4 HB2 GLU 4 6.209 -6.261 -0.917 32 HB3 GLU 4 HB3 GLU 4 7.768 -7.056 -1.085 33 HG2 GLU 4 HG2 GLU 4 8.903 -4.918 -0.893 34 HG3 GLU 4 HG3 GLU 4 7.351 -4.092 -0.778 35 H HIS 5 H HIS 5 4.642 -6.110 -3.077 36 HA HIS 5 HA HIS 5 4.503 -8.896 -3.744 37 HB2 HIS 5 HB2 HIS 5 2.749 -7.355 -2.534 38 HB3 HIS 5 HB3 HIS 5 2.214 -7.014 -4.177 39 HD1 HIS 5 HD1 HIS 5 2.428 -9.794 -1.664 40 HD2 HIS 5 HD2 HIS 5 0.823 -9.069 -5.427 41 HE1 HIS 5 HE1 HIS 5 0.914 -11.745 -2.136 42 H ILE 6 H ILE 6 4.030 -5.858 -5.513 43 HA ILE 6 HA ILE 6 3.238 -6.905 -7.963 44 HB ILE 6 HB ILE 6 3.305 -4.465 -7.301 45 HG12 ILE 6 HG12 ILE 6 4.442 -5.273 -9.985 46 HG13 ILE 6 HG13 ILE 6 2.737 -5.157 -9.567 47 HG21 ILE 6 HG21 ILE 6 5.278 -3.195 -7.593 48 HG22 ILE 6 HG22 ILE 6 5.729 -4.582 -6.603 49 HG23 ILE 6 HG23 ILE 6 6.133 -4.555 -8.319 50 HD11 ILE 6 HD11 ILE 6 3.950 -2.665 -8.986 51 HD12 ILE 6 HD12 ILE 6 4.443 -3.158 -10.606 52 HD13 ILE 6 HD13 ILE 6 2.730 -3.045 -10.201 53 H LEU 7 H LEU 7 6.435 -6.620 -6.550 54 HA LEU 7 HA LEU 7 7.874 -7.233 -8.934 55 HB2 LEU 7 HB2 LEU 7 8.473 -6.801 -6.103 56 HB3 LEU 7 HB3 LEU 7 9.531 -7.973 -6.886 57 HG LEU 7 HG LEU 7 10.445 -5.673 -6.857 58 HD11 LEU 7 HD11 LEU 7 10.274 -7.479 -9.036 59 HD12 LEU 7 HD12 LEU 7 11.566 -6.345 -8.644 60 HD13 LEU 7 HD13 LEU 7 10.233 -5.838 -9.681 61 HD21 LEU 7 HD21 LEU 7 7.923 -4.856 -7.409 62 HD22 LEU 7 HD22 LEU 7 8.657 -4.777 -9.011 63 HD23 LEU 7 HD23 LEU 7 9.366 -3.876 -7.670 64 H ALA 8 H ALA 8 6.441 -9.119 -6.363 65 HA ALA 8 HA ALA 8 7.719 -11.545 -6.626 66 HB1 ALA 8 HB1 ALA 8 5.969 -10.978 -4.947 67 HB2 ALA 8 HB2 ALA 8 4.754 -11.215 -6.204 68 HB3 ALA 8 HB3 ALA 8 5.767 -12.564 -5.690 69 H GLN 9 H GLN 9 5.431 -10.036 -8.778 70 HA GLN 9 HA GLN 9 4.784 -12.368 -10.278 71 HB2 GLN 9 HB2 GLN 9 4.646 -9.500 -11.212 72 HB3 GLN 9 HB3 GLN 9 3.745 -10.870 -11.847 73 HG2 GLN 9 HG2 GLN 9 3.444 -9.652 -9.111 74 HG3 GLN 9 HG3 GLN 9 2.330 -9.479 -10.466 75 HE21 GLN 9 HE21 GLN 9 2.972 -11.153 -7.684 76 HE22 GLN 9 HE22 GLN 9 1.964 -12.531 -7.949 77 H LYS 10 H LYS 10 6.813 -9.549 -11.100 78 HA LYS 10 HA LYS 10 7.900 -10.631 -13.441 79 HB2 LYS 10 HB2 LYS 10 9.425 -8.831 -13.415 80 HB3 LYS 10 HB3 LYS 10 7.974 -8.214 -12.635 81 HG2 LYS 10 HG2 LYS 10 9.216 -7.596 -10.914 82 HG3 LYS 10 HG3 LYS 10 9.558 -9.297 -10.588 83 HD2 LYS 10 HD2 LYS 10 11.149 -8.090 -12.748 84 HD3 LYS 10 HD3 LYS 10 11.448 -7.433 -11.138 85 HE2 LYS 10 HE2 LYS 10 12.706 -9.200 -10.669 86 HE3 LYS 10 HE3 LYS 10 11.301 -10.244 -10.884 87 HZ1 LYS 10 HZ1 LYS 10 13.179 -10.878 -12.302 88 HZ2 LYS 10 HZ2 LYS 10 13.114 -9.372 -13.068 89 HZ3 LYS 10 HZ3 LYS 10 11.818 -10.450 -13.211 90 H GLU 11 H GLU 11 8.508 -11.380 -10.170 91 HA GLU 11 HA GLU 11 11.204 -12.257 -10.413 92 HB2 GLU 11 HB2 GLU 11 9.705 -11.731 -8.293 93 HB3 GLU 11 HB3 GLU 11 9.365 -13.453 -8.390 94 HG2 GLU 11 HG2 GLU 11 12.186 -12.976 -8.641 95 HG3 GLU 11 HG3 GLU 11 11.554 -12.211 -7.185 96 H VAL 12 H VAL 12 8.131 -13.660 -11.156 97 HA VAL 12 HA VAL 12 9.420 -16.262 -11.656 98 HB VAL 12 HB VAL 12 6.996 -17.096 -11.759 99 HG11 VAL 12 HG11 VAL 12 7.839 -16.111 -9.049 100 HG12 VAL 12 HG12 VAL 12 7.002 -17.608 -9.467 101 HG13 VAL 12 HG13 VAL 12 8.702 -17.399 -9.888 102 HG21 VAL 12 HG21 VAL 12 6.071 -14.751 -11.867 103 HG22 VAL 12 HG22 VAL 12 5.306 -15.820 -10.692 104 HG23 VAL 12 HG23 VAL 12 6.465 -14.605 -10.154 105 H LEU 13 H LEU 13 7.346 -13.764 -13.014 106 HA LEU 13 HA LEU 13 6.561 -14.920 -15.385 107 HB2 LEU 13 HB2 LEU 13 7.105 -12.156 -14.487 108 HB3 LEU 13 HB3 LEU 13 7.017 -12.414 -16.228 109 HG LEU 13 HG LEU 13 4.750 -13.341 -15.952 110 HD11 LEU 13 HD11 LEU 13 5.242 -14.006 -13.514 111 HD12 LEU 13 HD12 LEU 13 3.628 -13.424 -13.919 112 HD13 LEU 13 HD13 LEU 13 4.779 -12.349 -13.126 113 HD21 LEU 13 HD21 LEU 13 5.281 -10.580 -14.879 114 HD22 LEU 13 HD22 LEU 13 3.666 -11.177 -15.259 115 HD23 LEU 13 HD23 LEU 13 4.880 -11.045 -16.532 116 H THR 14 H THR 14 7.383 -14.589 -17.585 117 HA THR 14 HA THR 14 10.055 -15.484 -17.836 118 HB THR 14 HB THR 14 9.494 -14.666 -20.353 119 HG1 THR 14 HG1 THR 14 6.939 -15.410 -19.434 120 HG21 THR 14 HG21 THR 14 9.333 -17.092 -18.845 121 HG22 THR 14 HG22 THR 14 9.679 -16.876 -20.561 122 HG23 THR 14 HG23 THR 14 8.012 -17.047 -20.012 123 HA PRO 15 HA PRO 15 12.449 -11.824 -18.194 124 HB2 PRO 15 HB2 PRO 15 14.131 -12.403 -20.245 125 HB3 PRO 15 HB3 PRO 15 14.263 -13.159 -18.652 126 HG2 PRO 15 HG2 PRO 15 13.013 -14.223 -21.156 127 HG3 PRO 15 HG3 PRO 15 14.052 -15.054 -19.984 128 HD2 PRO 15 HD2 PRO 15 11.359 -15.338 -20.002 129 HD3 PRO 15 HD3 PRO 15 12.317 -15.410 -18.509 130 H ILE 16 H ILE 16 10.906 -12.982 -21.130 131 HA ILE 16 HA ILE 16 11.283 -10.510 -22.560 132 HB ILE 16 HB ILE 16 9.848 -13.071 -23.128 133 HG12 ILE 16 HG12 ILE 16 11.509 -11.702 -25.150 134 HG13 ILE 16 HG13 ILE 16 12.358 -12.178 -23.683 135 HG21 ILE 16 HG21 ILE 16 8.199 -11.542 -23.843 136 HG22 ILE 16 HG22 ILE 16 9.401 -10.447 -24.524 137 HG23 ILE 16 HG23 ILE 16 9.088 -12.002 -25.295 138 HD11 ILE 16 HD11 ILE 16 11.141 -14.468 -24.138 139 HD12 ILE 16 HD12 ILE 16 11.121 -13.853 -25.791 140 HD13 ILE 16 HD13 ILE 16 12.654 -14.046 -24.940 141 H GLU 17 H GLU 17 8.734 -12.031 -20.678 142 HA GLU 17 HA GLU 17 6.764 -10.045 -21.350 143 HB2 GLU 17 HB2 GLU 17 6.859 -12.321 -19.385 144 HB3 GLU 17 HB3 GLU 17 5.532 -11.167 -19.382 145 HG2 GLU 17 HG2 GLU 17 5.703 -11.881 -22.023 146 HG3 GLU 17 HG3 GLU 17 6.081 -13.384 -21.183 147 H TYR 18 H TYR 18 9.041 -10.612 -18.744 148 HA TYR 18 HA TYR 18 8.036 -8.810 -16.858 149 HB2 TYR 18 HB2 TYR 18 9.689 -10.023 -15.881 150 HB3 TYR 18 HB3 TYR 18 10.625 -10.140 -17.366 151 HD1 TYR 18 HD1 TYR 18 9.589 -7.516 -14.906 152 HD2 TYR 18 HD2 TYR 18 12.668 -9.079 -17.392 153 HE1 TYR 18 HE1 TYR 18 11.135 -5.802 -14.058 154 HE2 TYR 18 HE2 TYR 18 14.224 -7.369 -16.550 155 HH TYR 18 HH TYR 18 14.491 -5.621 -15.215 156 H GLU 19 H GLU 19 10.072 -8.313 -19.678 157 HA GLU 19 HA GLU 19 11.028 -5.764 -19.210 158 HB2 GLU 19 HB2 GLU 19 10.527 -7.431 -21.567 159 HB3 GLU 19 HB3 GLU 19 10.457 -5.707 -21.900 160 HG2 GLU 19 HG2 GLU 19 12.674 -5.371 -21.240 161 HG3 GLU 19 HG3 GLU 19 12.755 -6.927 -20.416 162 H HIS 20 H HIS 20 7.840 -6.779 -20.281 163 HA HIS 20 HA HIS 20 6.964 -4.037 -20.670 164 HB2 HIS 20 HB2 HIS 20 5.780 -6.737 -21.152 165 HB3 HIS 20 HB3 HIS 20 4.694 -5.360 -20.980 166 HD1 HIS 20 HD1 HIS 20 5.451 -3.252 -22.656 167 HD2 HIS 20 HD2 HIS 20 6.571 -7.114 -23.702 168 HE1 HIS 20 HE1 HIS 20 5.968 -3.159 -25.115 169 H TYR 21 H TYR 21 6.806 -6.542 -18.271 170 HA TYR 21 HA TYR 21 4.612 -5.822 -16.768 171 HB2 TYR 21 HB2 TYR 21 5.569 -7.707 -15.906 172 HB3 TYR 21 HB3 TYR 21 7.210 -7.129 -16.177 173 HD1 TYR 21 HD1 TYR 21 4.367 -7.139 -13.864 174 HD2 TYR 21 HD2 TYR 21 8.352 -5.793 -14.507 175 HE1 TYR 21 HE1 TYR 21 4.554 -6.573 -11.478 176 HE2 TYR 21 HE2 TYR 21 8.550 -5.225 -12.122 177 HH TYR 21 HH TYR 21 7.078 -4.681 -10.231 178 H VAL 22 H VAL 22 7.752 -4.282 -16.956 179 HA VAL 22 HA VAL 22 7.101 -2.432 -14.802 180 HB VAL 22 HB VAL 22 9.567 -2.711 -16.521 181 HG11 VAL 22 HG11 VAL 22 8.694 -0.566 -14.706 182 HG12 VAL 22 HG12 VAL 22 10.343 -1.144 -14.461 183 HG13 VAL 22 HG13 VAL 22 9.848 -0.529 -16.039 184 HG21 VAL 22 HG21 VAL 22 8.787 -3.608 -13.789 185 HG22 VAL 22 HG22 VAL 22 9.698 -4.458 -15.038 186 HG23 VAL 22 HG23 VAL 22 10.471 -3.182 -14.097 187 H LYS 23 H LYS 23 6.980 -2.610 -18.230 188 HA LYS 23 HA LYS 23 7.205 0.105 -18.909 189 HB2 LYS 23 HB2 LYS 23 5.772 -2.206 -20.207 190 HB3 LYS 23 HB3 LYS 23 5.764 -0.594 -20.910 191 HG2 LYS 23 HG2 LYS 23 8.331 -1.975 -20.219 192 HG3 LYS 23 HG3 LYS 23 7.500 -2.278 -21.747 193 HD2 LYS 23 HD2 LYS 23 7.476 0.393 -21.779 194 HD3 LYS 23 HD3 LYS 23 8.920 0.144 -20.796 195 HE2 LYS 23 HE2 LYS 23 10.086 -0.278 -22.637 196 HE3 LYS 23 HE3 LYS 23 9.048 -1.663 -22.970 197 HZ1 LYS 23 HZ1 LYS 23 9.146 0.879 -24.265 198 HZ2 LYS 23 HZ2 LYS 23 7.578 0.500 -23.759 199 HZ3 LYS 23 HZ3 LYS 23 8.417 -0.560 -24.775 200 H HIS 24 H HIS 24 4.441 -1.830 -17.873 201 HA HIS 24 HA HIS 24 2.540 0.281 -18.249 202 HB2 HIS 24 HB2 HIS 24 1.385 -1.679 -18.306 203 HB3 HIS 24 HB3 HIS 24 2.504 -2.491 -17.215 204 HD1 HIS 24 HD1 HIS 24 0.029 0.383 -16.796 205 HD2 HIS 24 HD2 HIS 24 1.203 -3.151 -14.954 206 HE1 HIS 24 HE1 HIS 24 -1.418 0.179 -14.749 207 H LEU 25 H LEU 25 4.465 -0.931 -15.574 208 HA LEU 25 HA LEU 25 3.239 0.266 -13.416 209 HB2 LEU 25 HB2 LEU 25 6.034 -0.487 -14.068 210 HB3 LEU 25 HB3 LEU 25 5.777 0.556 -12.671 211 HG LEU 25 HG LEU 25 4.806 -1.101 -11.438 212 HD11 LEU 25 HD11 LEU 25 3.704 -3.101 -12.458 213 HD12 LEU 25 HD12 LEU 25 3.938 -2.350 -14.036 214 HD13 LEU 25 HD13 LEU 25 2.927 -1.561 -12.826 215 HD21 LEU 25 HD21 LEU 25 6.273 -2.834 -11.433 216 HD22 LEU 25 HD22 LEU 25 7.137 -1.765 -12.538 217 HD23 LEU 25 HD23 LEU 25 6.156 -3.086 -13.175 218 H PHE 26 H PHE 26 5.582 1.685 -15.667 219 HA PHE 26 HA PHE 26 6.060 4.112 -14.497 220 HB2 PHE 26 HB2 PHE 26 5.630 3.520 -17.431 221 HB3 PHE 26 HB3 PHE 26 6.330 5.012 -16.813 222 HD1 PHE 26 HD1 PHE 26 7.055 1.857 -18.103 223 HD2 PHE 26 HD2 PHE 26 8.369 4.637 -15.160 224 HE1 PHE 26 HE1 PHE 26 9.281 0.809 -18.111 225 HE2 PHE 26 HE2 PHE 26 10.597 3.594 -15.164 226 HZ PHE 26 HZ PHE 26 11.056 1.677 -16.641 227 H ASP 27 H ASP 27 3.144 3.027 -16.071 228 HA ASP 27 HA ASP 27 1.833 5.376 -16.632 229 HB2 ASP 27 HB2 ASP 27 0.970 3.081 -17.093 230 HB3 ASP 27 HB3 ASP 27 0.559 2.932 -15.387 231 H ILE 28 H ILE 28 1.850 3.642 -13.523 232 HA ILE 28 HA ILE 28 0.665 5.996 -12.240 233 HB ILE 28 HB ILE 28 0.116 4.625 -10.388 234 HG12 ILE 28 HG12 ILE 28 1.920 2.539 -11.629 235 HG13 ILE 28 HG13 ILE 28 2.199 3.414 -10.128 236 HG21 ILE 28 HG21 ILE 28 -0.352 2.616 -12.522 237 HG22 ILE 28 HG22 ILE 28 -1.472 3.303 -11.346 238 HG23 ILE 28 HG23 ILE 28 -0.996 4.240 -12.762 239 HD11 ILE 28 HD11 ILE 28 -0.059 1.486 -10.609 240 HD12 ILE 28 HD12 ILE 28 1.442 1.114 -9.760 241 HD13 ILE 28 HD13 ILE 28 0.323 2.304 -9.094 242 H GLY 29 H GLY 29 3.593 4.114 -12.393 243 HA2 GLY 29 HA2 GLY 29 5.705 5.090 -11.852 244 HA3 GLY 29 HA3 GLY 29 4.893 6.116 -10.678 245 H GLU 30 H GLU 30 4.132 2.734 -10.838 246 HA GLU 30 HA GLU 30 4.574 2.242 -8.147 247 HB2 GLU 30 HB2 GLU 30 3.704 0.768 -10.372 248 HB3 GLU 30 HB3 GLU 30 5.049 -0.144 -9.703 249 HG2 GLU 30 HG2 GLU 30 2.819 0.849 -7.969 250 HG3 GLU 30 HG3 GLU 30 2.697 -0.667 -8.859 251 H ILE 31 H ILE 31 6.610 0.954 -10.778 252 HA ILE 31 HA ILE 31 8.890 1.027 -8.916 253 HB ILE 31 HB ILE 31 8.256 -0.804 -11.212 254 HG12 ILE 31 HG12 ILE 31 9.067 -2.443 -9.339 255 HG13 ILE 31 HG13 ILE 31 8.773 -1.077 -8.269 256 HG21 ILE 31 HG21 ILE 31 10.566 -1.751 -10.845 257 HG22 ILE 31 HG22 ILE 31 10.495 -0.195 -11.671 258 HG23 ILE 31 HG23 ILE 31 10.940 -0.269 -9.966 259 HD11 ILE 31 HD11 ILE 31 6.615 -1.539 -8.229 260 HD12 ILE 31 HD12 ILE 31 6.523 -1.431 -9.987 261 HD13 ILE 31 HD13 ILE 31 6.929 -2.965 -9.218 262 H THR 32 H THR 32 10.817 1.936 -9.538 263 HA THR 32 HA THR 32 10.687 3.956 -11.557 264 HB THR 32 HB THR 32 13.285 3.995 -10.953 265 HG1 THR 32 HG1 THR 32 13.732 2.623 -9.415 266 HG21 THR 32 HG21 THR 32 10.923 5.269 -9.966 267 HG22 THR 32 HG22 THR 32 12.558 5.916 -10.092 268 HG23 THR 32 HG23 THR 32 12.060 5.054 -8.636 269 H LYS 33 H LYS 33 12.101 4.172 -13.375 270 HA LYS 33 HA LYS 33 12.204 1.957 -15.050 271 HB2 LYS 33 HB2 LYS 33 12.284 4.095 -16.057 272 HB3 LYS 33 HB3 LYS 33 13.670 4.586 -15.093 273 HG2 LYS 33 HG2 LYS 33 14.368 2.276 -16.615 274 HG3 LYS 33 HG3 LYS 33 13.650 3.484 -17.682 275 HD2 LYS 33 HD2 LYS 33 16.085 3.750 -17.502 276 HD3 LYS 33 HD3 LYS 33 15.222 5.158 -16.878 277 HE2 LYS 33 HE2 LYS 33 15.521 4.323 -14.596 278 HE3 LYS 33 HE3 LYS 33 16.379 2.916 -15.222 279 HZ1 LYS 33 HZ1 LYS 33 17.461 5.417 -16.135 280 HZ2 LYS 33 HZ2 LYS 33 18.248 4.081 -15.460 281 HZ3 LYS 33 HZ3 LYS 33 17.533 5.238 -14.454 282 H GLU 34 H GLU 34 14.566 3.182 -12.771 283 HA GLU 34 HA GLU 34 16.867 1.906 -13.579 284 HB2 GLU 34 HB2 GLU 34 15.860 2.328 -10.760 285 HB3 GLU 34 HB3 GLU 34 17.508 1.877 -11.172 286 HG2 GLU 34 HG2 GLU 34 17.679 3.976 -12.498 287 HG3 GLU 34 HG3 GLU 34 16.093 4.434 -11.880 288 H LEU 35 H LEU 35 14.386 0.601 -11.377 289 HA LEU 35 HA LEU 35 15.468 -1.890 -10.914 290 HB2 LEU 35 HB2 LEU 35 12.953 -0.618 -10.565 291 HB3 LEU 35 HB3 LEU 35 12.664 -2.213 -11.258 292 HG LEU 35 HG LEU 35 14.075 -3.144 -9.374 293 HD11 LEU 35 HD11 LEU 35 15.271 -1.310 -8.565 294 HD12 LEU 35 HD12 LEU 35 14.044 -1.602 -7.333 295 HD13 LEU 35 HD13 LEU 35 13.836 -0.288 -8.490 296 HD21 LEU 35 HD21 LEU 35 11.488 -2.947 -9.551 297 HD22 LEU 35 HD22 LEU 35 11.675 -1.735 -8.284 298 HD23 LEU 35 HD23 LEU 35 12.227 -3.388 -8.011 299 H TYR 36 H TYR 36 13.327 -0.917 -13.579 300 HA TYR 36 HA TYR 36 12.978 -3.333 -14.840 301 HB2 TYR 36 HB2 TYR 36 11.789 -1.840 -16.035 302 HB3 TYR 36 HB3 TYR 36 12.877 -0.518 -15.629 303 HD1 TYR 36 HD1 TYR 36 14.182 0.415 -17.302 304 HD2 TYR 36 HD2 TYR 36 12.699 -3.541 -17.813 305 HE1 TYR 36 HE1 TYR 36 15.085 0.378 -19.589 306 HE2 TYR 36 HE2 TYR 36 13.600 -3.588 -20.101 307 HH TYR 36 HH TYR 36 15.207 -0.753 -21.503 308 H ILE 37 H ILE 37 15.790 -1.236 -14.879 309 HA ILE 37 HA ILE 37 17.146 -2.841 -16.876 310 HB ILE 37 HB ILE 37 17.996 -0.435 -15.274 311 HG12 ILE 37 HG12 ILE 37 18.267 -0.059 -18.056 312 HG13 ILE 37 HG13 ILE 37 16.718 -0.862 -17.820 313 HG21 ILE 37 HG21 ILE 37 19.971 -1.747 -15.497 314 HG22 ILE 37 HG22 ILE 37 19.611 -2.109 -17.184 315 HG23 ILE 37 HG23 ILE 37 20.052 -0.469 -16.709 316 HD11 ILE 37 HD11 ILE 37 16.573 1.025 -15.909 317 HD12 ILE 37 HD12 ILE 37 17.573 1.853 -17.104 318 HD13 ILE 37 HD13 ILE 37 15.984 1.239 -17.557 319 H GLU 38 H GLU 38 17.693 -1.993 -13.456 320 HA GLU 38 HA GLU 38 19.893 -3.578 -12.957 321 HB2 GLU 38 HB2 GLU 38 17.582 -2.897 -11.136 322 HB3 GLU 38 HB3 GLU 38 19.069 -3.654 -10.585 323 HG2 GLU 38 HG2 GLU 38 19.739 -1.344 -12.102 324 HG3 GLU 38 HG3 GLU 38 18.511 -0.908 -10.914 325 H LEU 39 H LEU 39 16.499 -4.489 -12.329 326 HA LEU 39 HA LEU 39 16.974 -7.142 -11.640 327 HB2 LEU 39 HB2 LEU 39 14.628 -5.651 -12.711 328 HB3 LEU 39 HB3 LEU 39 14.555 -7.410 -12.641 329 HG LEU 39 HG LEU 39 13.506 -6.230 -10.703 330 HD11 LEU 39 HD11 LEU 39 15.813 -7.835 -9.698 331 HD12 LEU 39 HD12 LEU 39 14.605 -8.588 -10.739 332 HD13 LEU 39 HD13 LEU 39 14.120 -7.867 -9.205 333 HD21 LEU 39 HD21 LEU 39 15.220 -4.420 -10.592 334 HD22 LEU 39 HD22 LEU 39 16.349 -5.600 -9.925 335 HD23 LEU 39 HD23 LEU 39 14.876 -5.190 -9.043 336 H SER 40 H SER 40 16.591 -5.644 -14.795 337 HA SER 40 HA SER 40 16.267 -7.937 -16.354 338 HB2 SER 40 HB2 SER 40 16.873 -5.145 -16.799 339 HB3 SER 40 HB3 SER 40 17.822 -6.164 -17.881 340 HG SER 40 HG SER 40 15.090 -5.733 -17.785 341 H SER 41 H SER 41 19.302 -6.081 -16.166 342 HA SER 41 HA SER 41 21.483 -6.720 -16.276 343 HB2 SER 41 HB2 SER 41 20.714 -7.874 -14.124 344 HB3 SER 41 HB3 SER 41 20.634 -9.355 -15.076 345 HG SER 41 HG SER 41 22.784 -8.141 -14.007 346 H ASP 42 H ASP 42 19.934 -7.156 -18.582 347 HA ASP 42 HA ASP 42 21.323 -9.489 -19.722 348 HB2 ASP 42 HB2 ASP 42 18.564 -9.240 -19.440 349 HB3 ASP 42 HB3 ASP 42 18.865 -8.816 -21.123 350 H LEU 43 H LEU 43 22.865 -8.684 -20.989 351 HA LEU 43 HA LEU 43 23.961 -7.413 -22.526 352 HB2 LEU 43 HB2 LEU 43 21.594 -8.301 -23.654 353 HB3 LEU 43 HB3 LEU 43 21.624 -6.582 -24.038 354 HG LEU 43 HG LEU 43 24.139 -7.319 -24.753 355 HD11 LEU 43 HD11 LEU 43 23.794 -9.399 -26.133 356 HD12 LEU 43 HD12 LEU 43 22.328 -9.679 -25.196 357 HD13 LEU 43 HD13 LEU 43 23.896 -9.644 -24.390 358 HD21 LEU 43 HD21 LEU 43 22.997 -6.027 -26.264 359 HD22 LEU 43 HD22 LEU 43 21.558 -7.046 -26.217 360 HD23 LEU 43 HD23 LEU 43 22.990 -7.581 -27.097 Start of MODEL 18 1 H1 MET 1 H MET 1 1.342 -0.448 -6.373 2 HA MET 1 HA MET 1 -0.227 0.571 -4.508 3 HB2 MET 1 HB2 MET 1 -1.278 -2.063 -5.193 4 HB3 MET 1 HB3 MET 1 -0.958 -1.891 -3.473 5 HG2 MET 1 HG2 MET 1 -2.424 -0.043 -3.291 6 HG3 MET 1 HG3 MET 1 -2.560 0.105 -5.041 7 HE1 MET 1 HE1 MET 1 -4.092 -1.135 -1.889 8 HE2 MET 1 HE2 MET 1 -4.884 -2.663 -2.272 9 HE3 MET 1 HE3 MET 1 -3.126 -2.589 -2.143 10 H ASN 2 H ASN 2 1.542 -2.493 -4.870 11 HA ASN 2 HA ASN 2 3.112 -1.770 -2.485 12 HB2 ASN 2 HB2 ASN 2 2.457 -4.481 -3.649 13 HB3 ASN 2 HB3 ASN 2 3.641 -4.233 -2.368 14 HD21 ASN 2 HD21 ASN 2 0.263 -4.068 -3.221 15 HD22 ASN 2 HD22 ASN 2 -0.346 -4.055 -1.604 16 H LYS 3 H LYS 3 5.337 -1.861 -2.562 17 HA LYS 3 HA LYS 3 6.484 -1.992 -5.263 18 HB2 LYS 3 HB2 LYS 3 7.746 -0.813 -2.786 19 HB3 LYS 3 HB3 LYS 3 8.276 -0.613 -4.452 20 HG2 LYS 3 HG2 LYS 3 5.620 0.275 -4.382 21 HG3 LYS 3 HG3 LYS 3 6.397 0.935 -2.941 22 HD2 LYS 3 HD2 LYS 3 8.318 1.432 -4.743 23 HD3 LYS 3 HD3 LYS 3 6.908 1.488 -5.803 24 HE2 LYS 3 HE2 LYS 3 7.027 3.677 -5.117 25 HE3 LYS 3 HE3 LYS 3 5.925 3.009 -3.914 26 HZ1 LYS 3 HZ1 LYS 3 7.508 3.091 -2.283 27 HZ2 LYS 3 HZ2 LYS 3 7.941 4.453 -3.187 28 HZ3 LYS 3 HZ3 LYS 3 8.809 3.011 -3.361 29 H GLU 4 H GLU 4 6.791 -3.263 -2.004 30 HA GLU 4 HA GLU 4 9.144 -4.812 -2.639 31 HB2 GLU 4 HB2 GLU 4 7.356 -5.006 -0.211 32 HB3 GLU 4 HB3 GLU 4 8.984 -5.647 -0.372 33 HG2 GLU 4 HG2 GLU 4 9.594 -3.147 -0.843 34 HG3 GLU 4 HG3 GLU 4 8.081 -2.838 0.007 35 H HIS 5 H HIS 5 5.684 -5.343 -2.336 36 HA HIS 5 HA HIS 5 5.838 -8.192 -2.543 37 HB2 HIS 5 HB2 HIS 5 3.939 -6.916 -1.487 38 HB3 HIS 5 HB3 HIS 5 3.443 -6.438 -3.107 39 HD1 HIS 5 HD1 HIS 5 4.325 -9.788 -1.507 40 HD2 HIS 5 HD2 HIS 5 1.426 -8.029 -3.908 41 HE1 HIS 5 HE1 HIS 5 2.679 -11.618 -2.023 42 H ILE 6 H ILE 6 5.070 -5.566 -4.800 43 HA ILE 6 HA ILE 6 4.380 -7.055 -7.028 44 HB ILE 6 HB ILE 6 4.361 -4.510 -6.742 45 HG12 ILE 6 HG12 ILE 6 5.348 -5.711 -9.338 46 HG13 ILE 6 HG13 ILE 6 3.673 -5.648 -8.803 47 HG21 ILE 6 HG21 ILE 6 7.013 -4.524 -8.098 48 HG22 ILE 6 HG22 ILE 6 6.230 -3.250 -7.164 49 HG23 ILE 6 HG23 ILE 6 6.950 -4.633 -6.339 50 HD11 ILE 6 HD11 ILE 6 4.862 -3.026 -8.790 51 HD12 ILE 6 HD12 ILE 6 5.003 -3.791 -10.373 52 HD13 ILE 6 HD13 ILE 6 3.419 -3.608 -9.620 53 H LEU 7 H LEU 7 7.522 -6.475 -5.637 54 HA LEU 7 HA LEU 7 9.229 -7.006 -7.726 55 HB2 LEU 7 HB2 LEU 7 9.377 -6.937 -4.893 56 HB3 LEU 7 HB3 LEU 7 10.204 -8.393 -5.441 57 HG LEU 7 HG LEU 7 11.654 -7.025 -6.869 58 HD11 LEU 7 HD11 LEU 7 9.831 -4.877 -5.937 59 HD12 LEU 7 HD12 LEU 7 10.591 -5.118 -7.510 60 HD13 LEU 7 HD13 LEU 7 11.534 -4.478 -6.165 61 HD21 LEU 7 HD21 LEU 7 11.669 -5.894 -4.084 62 HD22 LEU 7 HD22 LEU 7 13.039 -6.195 -5.153 63 HD23 LEU 7 HD23 LEU 7 12.162 -7.550 -4.440 64 H ALA 8 H ALA 8 7.312 -9.262 -5.839 65 HA ALA 8 HA ALA 8 8.536 -11.617 -6.900 66 HB1 ALA 8 HB1 ALA 8 5.933 -11.199 -5.441 67 HB2 ALA 8 HB2 ALA 8 6.582 -12.778 -5.883 68 HB3 ALA 8 HB3 ALA 8 7.467 -11.744 -4.761 69 H GLN 9 H GLN 9 5.756 -9.644 -7.754 70 HA GLN 9 HA GLN 9 4.471 -11.359 -9.528 71 HB2 GLN 9 HB2 GLN 9 4.388 -8.560 -8.869 72 HB3 GLN 9 HB3 GLN 9 4.270 -8.763 -10.612 73 HG2 GLN 9 HG2 GLN 9 2.097 -8.704 -9.342 74 HG3 GLN 9 HG3 GLN 9 2.325 -10.066 -10.437 75 HE21 GLN 9 HE21 GLN 9 2.509 -9.079 -7.064 76 HE22 GLN 9 HE22 GLN 9 2.200 -10.642 -6.398 77 H LYS 10 H LYS 10 6.845 -8.814 -10.315 78 HA LYS 10 HA LYS 10 7.097 -9.321 -13.021 79 HB2 LYS 10 HB2 LYS 10 9.014 -8.003 -12.978 80 HB3 LYS 10 HB3 LYS 10 8.142 -7.457 -11.552 81 HG2 LYS 10 HG2 LYS 10 10.184 -7.702 -10.618 82 HG3 LYS 10 HG3 LYS 10 9.615 -9.360 -10.414 83 HD2 LYS 10 HD2 LYS 10 10.662 -9.679 -12.800 84 HD3 LYS 10 HD3 LYS 10 11.598 -8.252 -12.350 85 HE2 LYS 10 HE2 LYS 10 12.277 -9.438 -10.268 86 HE3 LYS 10 HE3 LYS 10 11.458 -10.877 -10.873 87 HZ1 LYS 10 HZ1 LYS 10 13.981 -10.579 -11.269 88 HZ2 LYS 10 HZ2 LYS 10 13.500 -9.557 -12.529 89 HZ3 LYS 10 HZ3 LYS 10 13.013 -11.177 -12.521 90 H GLU 11 H GLU 11 8.380 -11.091 -10.315 91 HA GLU 11 HA GLU 11 10.278 -12.599 -11.855 92 HB2 GLU 11 HB2 GLU 11 9.913 -12.122 -9.168 93 HB3 GLU 11 HB3 GLU 11 9.387 -13.791 -9.333 94 HG2 GLU 11 HG2 GLU 11 11.861 -13.294 -10.749 95 HG3 GLU 11 HG3 GLU 11 11.982 -12.896 -9.036 96 H VAL 12 H VAL 12 6.959 -12.997 -10.813 97 HA VAL 12 HA VAL 12 6.611 -15.723 -11.250 98 HB VAL 12 HB VAL 12 4.616 -13.501 -11.707 99 HG11 VAL 12 HG11 VAL 12 4.357 -16.479 -11.661 100 HG12 VAL 12 HG12 VAL 12 3.017 -15.465 -11.123 101 HG13 VAL 12 HG13 VAL 12 3.638 -15.309 -12.767 102 HG21 VAL 12 HG21 VAL 12 5.041 -13.271 -9.484 103 HG22 VAL 12 HG22 VAL 12 3.863 -14.580 -9.393 104 HG23 VAL 12 HG23 VAL 12 5.587 -14.938 -9.301 105 H LEU 13 H LEU 13 5.539 -13.175 -13.505 106 HA LEU 13 HA LEU 13 5.083 -14.803 -15.690 107 HB2 LEU 13 HB2 LEU 13 6.138 -11.985 -15.816 108 HB3 LEU 13 HB3 LEU 13 5.201 -12.825 -17.050 109 HG LEU 13 HG LEU 13 3.503 -11.629 -16.185 110 HD11 LEU 13 HD11 LEU 13 3.248 -14.099 -15.471 111 HD12 LEU 13 HD12 LEU 13 2.162 -12.893 -14.783 112 HD13 LEU 13 HD13 LEU 13 3.530 -13.487 -13.841 113 HD21 LEU 13 HD21 LEU 13 4.461 -10.114 -14.782 114 HD22 LEU 13 HD22 LEU 13 5.312 -11.345 -13.849 115 HD23 LEU 13 HD23 LEU 13 3.586 -11.079 -13.593 116 H THR 14 H THR 14 6.373 -14.570 -17.826 117 HA THR 14 HA THR 14 8.853 -15.875 -17.470 118 HB THR 14 HB THR 14 9.007 -16.011 -19.796 119 HG1 THR 14 HG1 THR 14 8.498 -14.396 -21.108 120 HG21 THR 14 HG21 THR 14 6.932 -16.807 -20.486 121 HG22 THR 14 HG22 THR 14 6.049 -15.566 -19.595 122 HG23 THR 14 HG23 THR 14 6.817 -16.897 -18.729 123 HA PRO 15 HA PRO 15 11.814 -12.644 -17.241 124 HB2 PRO 15 HB2 PRO 15 13.832 -13.592 -18.790 125 HB3 PRO 15 HB3 PRO 15 13.440 -14.266 -17.204 126 HG2 PRO 15 HG2 PRO 15 12.691 -15.265 -19.924 127 HG3 PRO 15 HG3 PRO 15 13.258 -16.179 -18.514 128 HD2 PRO 15 HD2 PRO 15 10.644 -16.044 -19.208 129 HD3 PRO 15 HD3 PRO 15 11.178 -16.178 -17.521 130 H ILE 16 H ILE 16 10.669 -13.627 -20.374 131 HA ILE 16 HA ILE 16 11.837 -11.327 -21.714 132 HB ILE 16 HB ILE 16 10.237 -13.687 -22.635 133 HG12 ILE 16 HG12 ILE 16 12.631 -12.674 -24.060 134 HG13 ILE 16 HG13 ILE 16 12.899 -13.294 -22.434 135 HG21 ILE 16 HG21 ILE 16 9.141 -11.944 -23.797 136 HG22 ILE 16 HG22 ILE 16 10.658 -11.108 -24.123 137 HG23 ILE 16 HG23 ILE 16 10.300 -12.633 -24.932 138 HD11 ILE 16 HD11 ILE 16 11.247 -15.139 -23.801 139 HD12 ILE 16 HD12 ILE 16 12.603 -14.730 -24.853 140 HD13 ILE 16 HD13 ILE 16 12.901 -15.350 -23.229 141 H GLU 17 H GLU 17 8.769 -12.373 -20.417 142 HA GLU 17 HA GLU 17 7.294 -10.207 -21.639 143 HB2 GLU 17 HB2 GLU 17 6.634 -12.503 -19.853 144 HB3 GLU 17 HB3 GLU 17 5.543 -11.125 -19.867 145 HG2 GLU 17 HG2 GLU 17 4.625 -12.518 -21.455 146 HG3 GLU 17 HG3 GLU 17 5.582 -11.402 -22.428 147 H TYR 18 H TYR 18 8.696 -10.978 -18.510 148 HA TYR 18 HA TYR 18 7.525 -9.036 -16.922 149 HB2 TYR 18 HB2 TYR 18 8.887 -9.987 -15.430 150 HB3 TYR 18 HB3 TYR 18 9.736 -10.815 -16.731 151 HD1 TYR 18 HD1 TYR 18 9.660 -7.647 -14.792 152 HD2 TYR 18 HD2 TYR 18 11.947 -10.240 -17.271 153 HE1 TYR 18 HE1 TYR 18 11.675 -6.320 -14.312 154 HE2 TYR 18 HE2 TYR 18 13.968 -8.921 -16.797 155 HH TYR 18 HH TYR 18 14.134 -6.075 -15.886 156 H GLU 19 H GLU 19 10.230 -8.759 -19.166 157 HA GLU 19 HA GLU 19 11.217 -6.271 -18.518 158 HB2 GLU 19 HB2 GLU 19 11.398 -8.055 -20.724 159 HB3 GLU 19 HB3 GLU 19 11.091 -6.447 -21.366 160 HG2 GLU 19 HG2 GLU 19 13.212 -5.919 -21.076 161 HG3 GLU 19 HG3 GLU 19 13.057 -6.206 -19.344 162 H HIS 20 H HIS 20 8.252 -7.090 -20.171 163 HA HIS 20 HA HIS 20 7.717 -4.328 -20.894 164 HB2 HIS 20 HB2 HIS 20 6.383 -6.956 -21.408 165 HB3 HIS 20 HB3 HIS 20 5.438 -5.477 -21.562 166 HD1 HIS 20 HD1 HIS 20 5.654 -4.226 -23.711 167 HD2 HIS 20 HD2 HIS 20 8.682 -7.025 -23.202 168 HE1 HIS 20 HE1 HIS 20 6.914 -4.256 -25.887 169 H TYR 21 H TYR 21 6.904 -6.605 -18.405 170 HA TYR 21 HA TYR 21 4.541 -5.547 -17.411 171 HB2 TYR 21 HB2 TYR 21 4.902 -7.327 -16.100 172 HB3 TYR 21 HB3 TYR 21 6.625 -7.321 -16.463 173 HD1 TYR 21 HD1 TYR 21 4.078 -6.490 -14.039 174 HD2 TYR 21 HD2 TYR 21 8.163 -5.916 -15.079 175 HE1 TYR 21 HE1 TYR 21 4.550 -5.742 -11.744 176 HE2 TYR 21 HE2 TYR 21 8.648 -5.167 -12.787 177 HH TYR 21 HH TYR 21 7.641 -4.384 -10.855 178 H VAL 22 H VAL 22 7.796 -4.346 -17.181 179 HA VAL 22 HA VAL 22 7.222 -2.464 -15.075 180 HB VAL 22 HB VAL 22 9.603 -2.754 -16.908 181 HG11 VAL 22 HG11 VAL 22 8.867 -0.637 -14.995 182 HG12 VAL 22 HG12 VAL 22 10.517 -1.248 -14.869 183 HG13 VAL 22 HG13 VAL 22 9.936 -0.582 -16.395 184 HG21 VAL 22 HG21 VAL 22 9.049 -3.541 -14.060 185 HG22 VAL 22 HG22 VAL 22 9.549 -4.568 -15.403 186 HG23 VAL 22 HG23 VAL 22 10.686 -3.415 -14.704 187 H LYS 23 H LYS 23 6.929 -2.546 -18.493 188 HA LYS 23 HA LYS 23 7.201 0.170 -19.129 189 HB2 LYS 23 HB2 LYS 23 5.409 -1.904 -20.407 190 HB3 LYS 23 HB3 LYS 23 5.841 -0.355 -21.120 191 HG2 LYS 23 HG2 LYS 23 7.941 -2.340 -20.333 192 HG3 LYS 23 HG3 LYS 23 7.107 -2.445 -21.885 193 HD2 LYS 23 HD2 LYS 23 8.450 0.078 -20.950 194 HD3 LYS 23 HD3 LYS 23 9.316 -1.176 -21.840 195 HE2 LYS 23 HE2 LYS 23 8.588 -0.244 -23.722 196 HE3 LYS 23 HE3 LYS 23 6.956 -0.737 -23.273 197 HZ1 LYS 23 HZ1 LYS 23 8.239 1.837 -22.529 198 HZ2 LYS 23 HZ2 LYS 23 6.663 1.365 -22.135 199 HZ3 LYS 23 HZ3 LYS 23 7.087 1.633 -23.751 200 H HIS 24 H HIS 24 4.409 -1.691 -18.013 201 HA HIS 24 HA HIS 24 2.564 0.473 -18.227 202 HB2 HIS 24 HB2 HIS 24 1.419 -1.513 -18.219 203 HB3 HIS 24 HB3 HIS 24 2.527 -2.273 -17.081 204 HD1 HIS 24 HD1 HIS 24 0.175 0.716 -16.788 205 HD2 HIS 24 HD2 HIS 24 1.151 -2.817 -14.831 206 HE1 HIS 24 HE1 HIS 24 -1.286 0.655 -14.742 207 H LEU 25 H LEU 25 4.659 -0.755 -15.696 208 HA LEU 25 HA LEU 25 3.607 0.498 -13.467 209 HB2 LEU 25 HB2 LEU 25 6.320 -0.376 -14.288 210 HB3 LEU 25 HB3 LEU 25 6.199 0.694 -12.893 211 HG LEU 25 HG LEU 25 5.245 -0.905 -11.574 212 HD11 LEU 25 HD11 LEU 25 3.994 -2.867 -12.483 213 HD12 LEU 25 HD12 LEU 25 4.162 -2.158 -14.088 214 HD13 LEU 25 HD13 LEU 25 3.262 -1.302 -12.837 215 HD21 LEU 25 HD21 LEU 25 6.657 -2.676 -11.630 216 HD22 LEU 25 HD22 LEU 25 7.465 -1.684 -12.844 217 HD23 LEU 25 HD23 LEU 25 6.382 -2.984 -13.345 218 H PHE 26 H PHE 26 5.896 1.795 -15.849 219 HA PHE 26 HA PHE 26 6.488 4.227 -14.724 220 HB2 PHE 26 HB2 PHE 26 5.971 3.641 -17.647 221 HB3 PHE 26 HB3 PHE 26 6.802 5.067 -17.034 222 HD1 PHE 26 HD1 PHE 26 7.387 2.138 -18.621 223 HD2 PHE 26 HD2 PHE 26 8.693 4.249 -15.163 224 HE1 PHE 26 HE1 PHE 26 9.519 0.912 -18.682 225 HE2 PHE 26 HE2 PHE 26 10.827 3.028 -15.219 226 HZ PHE 26 HZ PHE 26 11.243 1.357 -16.981 227 H ASP 27 H ASP 27 3.518 3.211 -16.247 228 HA ASP 27 HA ASP 27 2.272 5.581 -16.841 229 HB2 ASP 27 HB2 ASP 27 1.386 3.198 -17.110 230 HB3 ASP 27 HB3 ASP 27 0.835 3.330 -15.442 231 H ILE 28 H ILE 28 2.288 3.944 -13.680 232 HA ILE 28 HA ILE 28 1.226 6.386 -12.452 233 HB ILE 28 HB ILE 28 0.625 5.100 -10.561 234 HG12 ILE 28 HG12 ILE 28 2.328 2.897 -11.741 235 HG13 ILE 28 HG13 ILE 28 2.650 3.805 -10.268 236 HG21 ILE 28 HG21 ILE 28 0.057 3.053 -12.637 237 HG22 ILE 28 HG22 ILE 28 -1.022 3.806 -11.464 238 HG23 ILE 28 HG23 ILE 28 -0.529 4.694 -12.905 239 HD11 ILE 28 HD11 ILE 28 0.306 1.967 -10.684 240 HD12 ILE 28 HD12 ILE 28 1.793 1.550 -9.832 241 HD13 ILE 28 HD13 ILE 28 0.734 2.808 -9.195 242 H GLY 29 H GLY 29 4.056 4.361 -12.593 243 HA2 GLY 29 HA2 GLY 29 6.221 5.234 -12.100 244 HA3 GLY 29 HA3 GLY 29 5.479 6.340 -10.953 245 H GLU 30 H GLU 30 4.573 2.983 -11.014 246 HA GLU 30 HA GLU 30 5.026 2.571 -8.300 247 HB2 GLU 30 HB2 GLU 30 3.936 1.108 -10.391 248 HB3 GLU 30 HB3 GLU 30 5.302 0.132 -9.869 249 HG2 GLU 30 HG2 GLU 30 2.918 1.002 -8.274 250 HG3 GLU 30 HG3 GLU 30 3.461 -0.635 -8.638 251 H ILE 31 H ILE 31 6.910 1.079 -10.938 252 HA ILE 31 HA ILE 31 9.236 1.060 -9.132 253 HB ILE 31 HB ILE 31 8.473 -0.784 -11.385 254 HG12 ILE 31 HG12 ILE 31 9.042 -2.456 -9.487 255 HG13 ILE 31 HG13 ILE 31 8.930 -1.057 -8.425 256 HG21 ILE 31 HG21 ILE 31 11.150 -0.467 -10.045 257 HG22 ILE 31 HG22 ILE 31 10.680 -1.900 -10.958 258 HG23 ILE 31 HG23 ILE 31 10.779 -0.334 -11.763 259 HD11 ILE 31 HD11 ILE 31 6.713 -1.113 -8.446 260 HD12 ILE 31 HD12 ILE 31 6.654 -1.267 -10.202 261 HD13 ILE 31 HD13 ILE 31 6.863 -2.701 -9.197 262 H THR 32 H THR 32 11.173 1.879 -9.802 263 HA THR 32 HA THR 32 11.093 3.695 -12.051 264 HB THR 32 HB THR 32 13.335 4.395 -11.313 265 HG1 THR 32 HG1 THR 32 13.965 2.285 -10.501 266 HG21 THR 32 HG21 THR 32 10.915 4.561 -9.782 267 HG22 THR 32 HG22 THR 32 12.193 5.762 -9.975 268 HG23 THR 32 HG23 THR 32 12.305 4.552 -8.696 269 H LYS 33 H LYS 33 12.833 3.769 -13.653 270 HA LYS 33 HA LYS 33 13.105 1.390 -15.069 271 HB2 LYS 33 HB2 LYS 33 14.948 3.781 -15.218 272 HB3 LYS 33 HB3 LYS 33 14.704 2.567 -16.467 273 HG2 LYS 33 HG2 LYS 33 12.597 3.367 -17.013 274 HG3 LYS 33 HG3 LYS 33 12.411 4.210 -15.474 275 HD2 LYS 33 HD2 LYS 33 14.394 4.965 -17.619 276 HD3 LYS 33 HD3 LYS 33 12.822 5.733 -17.389 277 HE2 LYS 33 HE2 LYS 33 13.816 5.924 -14.892 278 HE3 LYS 33 HE3 LYS 33 15.311 5.984 -15.823 279 HZ1 LYS 33 HZ1 LYS 33 13.253 7.963 -15.545 280 HZ2 LYS 33 HZ2 LYS 33 13.669 7.679 -17.160 281 HZ3 LYS 33 HZ3 LYS 33 14.859 8.139 -16.048 282 H GLU 34 H GLU 34 15.108 2.774 -12.566 283 HA GLU 34 HA GLU 34 17.501 1.473 -12.892 284 HB2 GLU 34 HB2 GLU 34 17.435 2.981 -11.118 285 HB3 GLU 34 HB3 GLU 34 15.963 2.287 -10.453 286 HG2 GLU 34 HG2 GLU 34 17.068 0.707 -9.284 287 HG3 GLU 34 HG3 GLU 34 18.324 0.522 -10.508 288 H LEU 35 H LEU 35 14.474 0.175 -11.672 289 HA LEU 35 HA LEU 35 15.601 -2.327 -10.842 290 HB2 LEU 35 HB2 LEU 35 13.154 -0.981 -10.533 291 HB3 LEU 35 HB3 LEU 35 12.785 -2.482 -11.379 292 HG LEU 35 HG LEU 35 14.024 -3.681 -9.526 293 HD11 LEU 35 HD11 LEU 35 15.312 -2.003 -8.519 294 HD12 LEU 35 HD12 LEU 35 14.027 -2.340 -7.360 295 HD13 LEU 35 HD13 LEU 35 13.937 -0.906 -8.383 296 HD21 LEU 35 HD21 LEU 35 11.478 -3.292 -9.794 297 HD22 LEU 35 HD22 LEU 35 11.675 -2.175 -8.443 298 HD23 LEU 35 HD23 LEU 35 12.100 -3.876 -8.251 299 H TYR 36 H TYR 36 13.469 -1.364 -13.532 300 HA TYR 36 HA TYR 36 13.292 -3.788 -14.835 301 HB2 TYR 36 HB2 TYR 36 11.924 -2.272 -15.848 302 HB3 TYR 36 HB3 TYR 36 13.068 -0.948 -15.654 303 HD1 TYR 36 HD1 TYR 36 14.632 -0.404 -17.379 304 HD2 TYR 36 HD2 TYR 36 12.157 -3.845 -17.744 305 HE1 TYR 36 HE1 TYR 36 15.270 -0.604 -19.746 306 HE2 TYR 36 HE2 TYR 36 12.788 -4.055 -20.112 307 HH TYR 36 HH TYR 36 14.265 -1.621 -21.843 308 H ILE 37 H ILE 37 15.894 -1.427 -14.904 309 HA ILE 37 HA ILE 37 17.351 -2.799 -16.978 310 HB ILE 37 HB ILE 37 18.030 -0.483 -15.180 311 HG12 ILE 37 HG12 ILE 37 18.328 0.018 -17.975 312 HG13 ILE 37 HG13 ILE 37 16.775 -0.770 -17.720 313 HG21 ILE 37 HG21 ILE 37 20.098 -1.619 -15.425 314 HG22 ILE 37 HG22 ILE 37 19.804 -1.923 -17.136 315 HG23 ILE 37 HG23 ILE 37 20.116 -0.281 -16.574 316 HD11 ILE 37 HD11 ILE 37 15.906 1.002 -16.636 317 HD12 ILE 37 HD12 ILE 37 17.440 1.433 -15.880 318 HD13 ILE 37 HD13 ILE 37 17.132 1.869 -17.560 319 H GLU 38 H GLU 38 17.972 -2.167 -13.520 320 HA GLU 38 HA GLU 38 20.232 -3.719 -13.212 321 HB2 GLU 38 HB2 GLU 38 18.004 -3.008 -11.326 322 HB3 GLU 38 HB3 GLU 38 19.327 -4.042 -10.803 323 HG2 GLU 38 HG2 GLU 38 19.793 -1.344 -12.029 324 HG3 GLU 38 HG3 GLU 38 19.522 -1.566 -10.302 325 H LEU 39 H LEU 39 16.894 -4.754 -12.486 326 HA LEU 39 HA LEU 39 17.455 -7.427 -11.971 327 HB2 LEU 39 HB2 LEU 39 15.025 -5.976 -12.927 328 HB3 LEU 39 HB3 LEU 39 15.018 -7.736 -12.844 329 HG LEU 39 HG LEU 39 15.452 -7.633 -10.444 330 HD11 LEU 39 HD11 LEU 39 16.750 -5.580 -10.374 331 HD12 LEU 39 HD12 LEU 39 15.383 -5.490 -9.265 332 HD13 LEU 39 HD13 LEU 39 15.320 -4.643 -10.810 333 HD21 LEU 39 HD21 LEU 39 13.142 -5.889 -11.291 334 HD22 LEU 39 HD22 LEU 39 13.299 -6.726 -9.747 335 HD23 LEU 39 HD23 LEU 39 13.141 -7.652 -11.241 336 H SER 40 H SER 40 16.917 -5.771 -15.023 337 HA SER 40 HA SER 40 16.645 -8.039 -16.664 338 HB2 SER 40 HB2 SER 40 16.044 -6.182 -17.852 339 HB3 SER 40 HB3 SER 40 17.259 -5.165 -17.079 340 HG SER 40 HG SER 40 18.445 -5.482 -18.770 341 H SER 41 H SER 41 19.495 -5.903 -16.534 342 HA SER 41 HA SER 41 21.716 -6.313 -16.818 343 HB2 SER 41 HB2 SER 41 21.199 -7.643 -14.692 344 HB3 SER 41 HB3 SER 41 21.202 -9.077 -15.720 345 HG SER 41 HG SER 41 23.255 -8.724 -14.820 346 H ASP 42 H ASP 42 20.085 -6.777 -19.056 347 HA ASP 42 HA ASP 42 21.585 -8.935 -20.387 348 HB2 ASP 42 HB2 ASP 42 19.149 -9.470 -20.002 349 HB3 ASP 42 HB3 ASP 42 18.756 -8.128 -21.073 350 H LEU 43 H LEU 43 22.690 -8.347 -22.143 351 HA LEU 43 HA LEU 43 23.591 -7.048 -23.778 352 HB2 LEU 43 HB2 LEU 43 20.929 -7.285 -24.315 353 HB3 LEU 43 HB3 LEU 43 21.136 -5.535 -24.310 354 HG LEU 43 HG LEU 43 23.035 -7.157 -25.924 355 HD11 LEU 43 HD11 LEU 43 21.189 -8.241 -26.758 356 HD12 LEU 43 HD12 LEU 43 21.262 -6.829 -27.812 357 HD13 LEU 43 HD13 LEU 43 20.117 -6.870 -26.471 358 HD21 LEU 43 HD21 LEU 43 22.565 -5.147 -27.456 359 HD22 LEU 43 HD22 LEU 43 23.485 -4.872 -25.977 360 HD23 LEU 43 HD23 LEU 43 21.776 -4.439 -26.046 Start of MODEL 19 1 H1 MET 1 H MET 1 -0.528 -0.499 -3.192 2 HA MET 1 HA MET 1 1.536 0.417 -4.725 3 HB2 MET 1 HB2 MET 1 1.181 2.289 -2.764 4 HB3 MET 1 HB3 MET 1 2.424 1.267 -2.054 5 HG2 MET 1 HG2 MET 1 3.986 2.136 -3.357 6 HG3 MET 1 HG3 MET 1 3.029 1.834 -4.806 7 HE1 MET 1 HE1 MET 1 4.556 4.711 -5.346 8 HE2 MET 1 HE2 MET 1 3.559 3.494 -6.143 9 HE3 MET 1 HE3 MET 1 3.012 5.169 -6.065 10 H ASN 2 H ASN 2 2.217 -1.628 -4.979 11 HA ASN 2 HA ASN 2 3.270 -3.003 -2.603 12 HB2 ASN 2 HB2 ASN 2 1.359 -4.031 -4.656 13 HB3 ASN 2 HB3 ASN 2 2.545 -5.146 -3.984 14 HD21 ASN 2 HD21 ASN 2 0.866 -6.342 -3.038 15 HD22 ASN 2 HD22 ASN 2 0.067 -5.795 -1.608 16 H LYS 3 H LYS 3 5.126 -1.722 -3.709 17 HA LYS 3 HA LYS 3 6.245 -2.760 -6.104 18 HB2 LYS 3 HB2 LYS 3 8.242 -1.468 -5.485 19 HB3 LYS 3 HB3 LYS 3 6.775 -0.511 -5.325 20 HG2 LYS 3 HG2 LYS 3 6.922 -1.385 -2.829 21 HG3 LYS 3 HG3 LYS 3 8.634 -1.506 -3.242 22 HD2 LYS 3 HD2 LYS 3 8.667 0.837 -3.887 23 HD3 LYS 3 HD3 LYS 3 6.937 0.970 -3.564 24 HE2 LYS 3 HE2 LYS 3 8.930 0.147 -1.465 25 HE3 LYS 3 HE3 LYS 3 8.499 1.831 -1.760 26 HZ1 LYS 3 HZ1 LYS 3 7.050 -0.193 -0.356 27 HZ2 LYS 3 HZ2 LYS 3 6.100 0.549 -1.543 28 HZ3 LYS 3 HZ3 LYS 3 6.839 1.486 -0.344 29 H GLU 4 H GLU 4 6.627 -3.520 -2.700 30 HA GLU 4 HA GLU 4 8.917 -5.179 -3.000 31 HB2 GLU 4 HB2 GLU 4 6.862 -4.818 -0.839 32 HB3 GLU 4 HB3 GLU 4 8.066 -6.095 -0.729 33 HG2 GLU 4 HG2 GLU 4 9.738 -4.666 -0.267 34 HG3 GLU 4 HG3 GLU 4 9.114 -3.418 -1.344 35 H HIS 5 H HIS 5 5.438 -5.781 -2.968 36 HA HIS 5 HA HIS 5 5.730 -8.634 -3.149 37 HB2 HIS 5 HB2 HIS 5 3.741 -7.275 -2.182 38 HB3 HIS 5 HB3 HIS 5 3.220 -7.139 -3.858 39 HD1 HIS 5 HD1 HIS 5 2.267 -8.970 -1.149 40 HD2 HIS 5 HD2 HIS 5 3.563 -10.134 -4.921 41 HE1 HIS 5 HE1 HIS 5 1.380 -11.300 -1.476 42 H ILE 6 H ILE 6 4.640 -6.095 -5.399 43 HA ILE 6 HA ILE 6 4.197 -7.649 -7.636 44 HB ILE 6 HB ILE 6 3.826 -5.126 -7.326 45 HG12 ILE 6 HG12 ILE 6 4.906 -6.225 -9.929 46 HG13 ILE 6 HG13 ILE 6 3.237 -6.304 -9.374 47 HG21 ILE 6 HG21 ILE 6 5.539 -3.648 -8.115 48 HG22 ILE 6 HG22 ILE 6 6.215 -4.646 -6.829 49 HG23 ILE 6 HG23 ILE 6 6.592 -5.005 -8.513 50 HD11 ILE 6 HD11 ILE 6 3.990 -3.591 -9.335 51 HD12 ILE 6 HD12 ILE 6 4.533 -4.266 -10.872 52 HD13 ILE 6 HD13 ILE 6 2.838 -4.394 -10.401 53 H LEU 7 H LEU 7 7.226 -6.576 -6.264 54 HA LEU 7 HA LEU 7 8.955 -6.936 -8.397 55 HB2 LEU 7 HB2 LEU 7 9.157 -6.575 -5.600 56 HB3 LEU 7 HB3 LEU 7 10.186 -7.941 -6.025 57 HG LEU 7 HG LEU 7 11.511 -5.944 -6.015 58 HD11 LEU 7 HD11 LEU 7 11.293 -7.669 -8.177 59 HD12 LEU 7 HD12 LEU 7 12.643 -6.596 -7.812 60 HD13 LEU 7 HD13 LEU 7 11.362 -6.061 -8.900 61 HD21 LEU 7 HD21 LEU 7 10.367 -4.043 -6.344 62 HD22 LEU 7 HD22 LEU 7 9.170 -4.822 -7.379 63 HD23 LEU 7 HD23 LEU 7 10.723 -4.320 -8.049 64 H ALA 8 H ALA 8 7.402 -9.308 -6.358 65 HA ALA 8 HA ALA 8 9.023 -11.515 -7.187 66 HB1 ALA 8 HB1 ALA 8 6.677 -11.107 -5.471 67 HB2 ALA 8 HB2 ALA 8 6.750 -12.676 -6.273 68 HB3 ALA 8 HB3 ALA 8 8.083 -12.148 -5.248 69 H GLN 9 H GLN 9 6.034 -10.051 -8.289 70 HA GLN 9 HA GLN 9 5.021 -12.067 -9.898 71 HB2 GLN 9 HB2 GLN 9 4.991 -9.103 -10.491 72 HB3 GLN 9 HB3 GLN 9 3.897 -10.306 -11.160 73 HG2 GLN 9 HG2 GLN 9 4.105 -9.792 -8.212 74 HG3 GLN 9 HG3 GLN 9 3.022 -8.878 -9.262 75 HE21 GLN 9 HE21 GLN 9 3.767 -12.048 -7.981 76 HE22 GLN 9 HE22 GLN 9 2.209 -12.739 -8.261 77 H LYS 10 H LYS 10 7.160 -9.400 -10.921 78 HA LYS 10 HA LYS 10 7.578 -10.228 -13.534 79 HB2 LYS 10 HB2 LYS 10 9.376 -8.722 -13.608 80 HB3 LYS 10 HB3 LYS 10 8.304 -8.053 -12.385 81 HG2 LYS 10 HG2 LYS 10 10.227 -7.873 -11.229 82 HG3 LYS 10 HG3 LYS 10 9.868 -9.550 -10.814 83 HD2 LYS 10 HD2 LYS 10 11.198 -10.024 -13.044 84 HD3 LYS 10 HD3 LYS 10 11.901 -8.444 -12.689 85 HE2 LYS 10 HE2 LYS 10 13.046 -9.211 -10.902 86 HE3 LYS 10 HE3 LYS 10 11.756 -10.311 -10.416 87 HZ1 LYS 10 HZ1 LYS 10 14.093 -10.831 -11.981 88 HZ2 LYS 10 HZ2 LYS 10 12.685 -11.363 -12.752 89 HZ3 LYS 10 HZ3 LYS 10 13.058 -11.916 -11.198 90 H GLU 11 H GLU 11 8.938 -11.437 -10.570 91 HA GLU 11 HA GLU 11 11.105 -12.857 -11.783 92 HB2 GLU 11 HB2 GLU 11 10.685 -12.101 -9.275 93 HB3 GLU 11 HB3 GLU 11 9.968 -13.702 -9.158 94 HG2 GLU 11 HG2 GLU 11 12.410 -14.057 -10.476 95 HG3 GLU 11 HG3 GLU 11 12.730 -12.936 -9.154 96 H VAL 12 H VAL 12 7.760 -13.534 -11.099 97 HA VAL 12 HA VAL 12 8.021 -16.378 -11.554 98 HB VAL 12 HB VAL 12 5.488 -14.745 -11.366 99 HG11 VAL 12 HG11 VAL 12 6.033 -17.695 -11.060 100 HG12 VAL 12 HG12 VAL 12 4.491 -16.913 -10.703 101 HG13 VAL 12 HG13 VAL 12 5.120 -16.914 -12.351 102 HG21 VAL 12 HG21 VAL 12 6.203 -14.349 -9.267 103 HG22 VAL 12 HG22 VAL 12 5.684 -16.010 -8.983 104 HG23 VAL 12 HG23 VAL 12 7.381 -15.661 -9.308 105 H LEU 13 H LEU 13 6.140 -13.802 -13.159 106 HA LEU 13 HA LEU 13 5.386 -15.204 -15.410 107 HB2 LEU 13 HB2 LEU 13 5.287 -12.974 -16.539 108 HB3 LEU 13 HB3 LEU 13 4.430 -13.080 -15.003 109 HG LEU 13 HG LEU 13 6.814 -12.106 -14.173 110 HD11 LEU 13 HD11 LEU 13 6.441 -11.291 -17.023 111 HD12 LEU 13 HD12 LEU 13 7.915 -11.748 -16.170 112 HD13 LEU 13 HD13 LEU 13 7.175 -10.176 -15.869 113 HD21 LEU 13 HD21 LEU 13 5.558 -9.806 -14.566 114 HD22 LEU 13 HD22 LEU 13 5.007 -10.978 -13.370 115 HD23 LEU 13 HD23 LEU 13 4.219 -10.889 -14.946 116 H THR 14 H THR 14 6.210 -15.402 -17.511 117 HA THR 14 HA THR 14 8.868 -16.082 -17.783 118 HB THR 14 HB THR 14 8.281 -15.379 -20.342 119 HG1 THR 14 HG1 THR 14 6.180 -15.166 -20.627 120 HG21 THR 14 HG21 THR 14 6.945 -17.770 -20.090 121 HG22 THR 14 HG22 THR 14 8.005 -17.764 -18.681 122 HG23 THR 14 HG23 THR 14 8.686 -17.584 -20.297 123 HA PRO 15 HA PRO 15 11.247 -12.440 -18.359 124 HB2 PRO 15 HB2 PRO 15 12.895 -13.102 -20.412 125 HB3 PRO 15 HB3 PRO 15 13.057 -13.787 -18.791 126 HG2 PRO 15 HG2 PRO 15 11.768 -14.962 -21.224 127 HG3 PRO 15 HG3 PRO 15 12.830 -15.738 -20.035 128 HD2 PRO 15 HD2 PRO 15 10.139 -16.031 -19.994 129 HD3 PRO 15 HD3 PRO 15 11.122 -16.036 -18.516 130 H ILE 16 H ILE 16 9.495 -13.681 -21.102 131 HA ILE 16 HA ILE 16 9.948 -11.441 -22.818 132 HB ILE 16 HB ILE 16 8.104 -13.791 -22.872 133 HG12 ILE 16 HG12 ILE 16 10.429 -13.915 -23.750 134 HG13 ILE 16 HG13 ILE 16 9.212 -14.229 -24.982 135 HG21 ILE 16 HG21 ILE 16 6.587 -12.115 -23.547 136 HG22 ILE 16 HG22 ILE 16 7.811 -11.289 -24.510 137 HG23 ILE 16 HG23 ILE 16 7.182 -12.850 -25.035 138 HD11 ILE 16 HD11 ILE 16 10.923 -12.852 -25.915 139 HD12 ILE 16 HD12 ILE 16 9.461 -11.881 -25.737 140 HD13 ILE 16 HD13 ILE 16 10.786 -11.699 -24.588 141 H GLU 17 H GLU 17 7.517 -12.310 -20.439 142 HA GLU 17 HA GLU 17 5.776 -10.118 -21.115 143 HB2 GLU 17 HB2 GLU 17 5.795 -12.280 -19.062 144 HB3 GLU 17 HB3 GLU 17 4.818 -10.853 -18.752 145 HG2 GLU 17 HG2 GLU 17 4.102 -11.435 -21.302 146 HG3 GLU 17 HG3 GLU 17 4.410 -13.044 -20.650 147 H TYR 18 H TYR 18 8.249 -10.793 -18.711 148 HA TYR 18 HA TYR 18 7.798 -8.634 -16.993 149 HB2 TYR 18 HB2 TYR 18 9.305 -10.090 -16.071 150 HB3 TYR 18 HB3 TYR 18 10.104 -10.407 -17.607 151 HD1 TYR 18 HD1 TYR 18 9.625 -7.588 -15.196 152 HD2 TYR 18 HD2 TYR 18 12.244 -9.593 -17.883 153 HE1 TYR 18 HE1 TYR 18 11.442 -6.057 -14.558 154 HE2 TYR 18 HE2 TYR 18 14.068 -8.069 -17.252 155 HH TYR 18 HH TYR 18 13.691 -5.727 -14.656 156 H GLU 19 H GLU 19 9.229 -8.778 -20.144 157 HA GLU 19 HA GLU 19 10.804 -6.481 -20.140 158 HB2 GLU 19 HB2 GLU 19 9.794 -8.312 -22.072 159 HB3 GLU 19 HB3 GLU 19 9.482 -6.685 -22.660 160 HG2 GLU 19 HG2 GLU 19 11.811 -6.118 -22.484 161 HG3 GLU 19 HG3 GLU 19 12.169 -7.673 -21.734 162 H HIS 20 H HIS 20 7.359 -6.842 -20.942 163 HA HIS 20 HA HIS 20 7.048 -3.961 -21.154 164 HB2 HIS 20 HB2 HIS 20 4.759 -4.446 -21.826 165 HB3 HIS 20 HB3 HIS 20 5.877 -5.458 -22.736 166 HD1 HIS 20 HD1 HIS 20 3.328 -5.641 -19.974 167 HD2 HIS 20 HD2 HIS 20 5.564 -8.182 -22.383 168 HE1 HIS 20 HE1 HIS 20 2.388 -7.941 -19.581 169 H TYR 21 H TYR 21 6.769 -6.385 -18.778 170 HA TYR 21 HA TYR 21 4.705 -5.603 -17.155 171 HB2 TYR 21 HB2 TYR 21 5.773 -7.480 -16.358 172 HB3 TYR 21 HB3 TYR 21 7.380 -6.815 -16.632 173 HD1 TYR 21 HD1 TYR 21 4.399 -6.480 -14.428 174 HD2 TYR 21 HD2 TYR 21 8.593 -5.905 -14.856 175 HE1 TYR 21 HE1 TYR 21 4.556 -5.896 -12.044 176 HE2 TYR 21 HE2 TYR 21 8.761 -5.320 -12.473 177 HH TYR 21 HH TYR 21 7.683 -5.221 -10.521 178 H VAL 22 H VAL 22 8.014 -4.298 -17.145 179 HA VAL 22 HA VAL 22 7.331 -2.263 -15.216 180 HB VAL 22 HB VAL 22 9.839 -2.741 -16.827 181 HG11 VAL 22 HG11 VAL 22 9.006 -0.455 -15.174 182 HG12 VAL 22 HG12 VAL 22 10.613 -1.096 -14.824 183 HG13 VAL 22 HG13 VAL 22 10.214 -0.552 -16.454 184 HG21 VAL 22 HG21 VAL 22 8.946 -3.410 -14.057 185 HG22 VAL 22 HG22 VAL 22 9.789 -4.413 -15.238 186 HG23 VAL 22 HG23 VAL 22 10.659 -3.140 -14.381 187 H LYS 23 H LYS 23 7.349 -2.584 -18.642 188 HA LYS 23 HA LYS 23 7.700 0.097 -19.406 189 HB2 LYS 23 HB2 LYS 23 6.253 -2.209 -20.702 190 HB3 LYS 23 HB3 LYS 23 6.371 -0.627 -21.463 191 HG2 LYS 23 HG2 LYS 23 8.774 -2.204 -20.586 192 HG3 LYS 23 HG3 LYS 23 8.063 -2.336 -22.197 193 HD2 LYS 23 HD2 LYS 23 8.342 0.408 -21.720 194 HD3 LYS 23 HD3 LYS 23 9.837 -0.328 -21.135 195 HE2 LYS 23 HE2 LYS 23 10.087 -1.481 -23.294 196 HE3 LYS 23 HE3 LYS 23 8.620 -0.693 -23.872 197 HZ1 LYS 23 HZ1 LYS 23 9.696 1.446 -23.604 198 HZ2 LYS 23 HZ2 LYS 23 10.612 0.455 -24.623 199 HZ3 LYS 23 HZ3 LYS 23 11.100 0.703 -23.023 200 H HIS 24 H HIS 24 4.878 -1.689 -18.319 201 HA HIS 24 HA HIS 24 3.065 0.487 -18.893 202 HB2 HIS 24 HB2 HIS 24 1.807 -1.395 -19.035 203 HB3 HIS 24 HB3 HIS 24 2.843 -2.294 -17.931 204 HD1 HIS 24 HD1 HIS 24 0.494 0.682 -17.502 205 HD2 HIS 24 HD2 HIS 24 1.418 -2.970 -15.751 206 HE1 HIS 24 HE1 HIS 24 -1.042 0.479 -15.521 207 H LEU 25 H LEU 25 4.682 -0.887 -16.080 208 HA LEU 25 HA LEU 25 3.376 0.411 -14.028 209 HB2 LEU 25 HB2 LEU 25 6.110 -0.641 -14.436 210 HB3 LEU 25 HB3 LEU 25 5.885 0.472 -13.088 211 HG LEU 25 HG LEU 25 4.784 -1.051 -11.847 212 HD11 LEU 25 HD11 LEU 25 3.317 -2.839 -12.909 213 HD12 LEU 25 HD12 LEU 25 3.545 -1.967 -14.424 214 HD13 LEU 25 HD13 LEU 25 2.777 -1.166 -13.053 215 HD21 LEU 25 HD21 LEU 25 6.124 -2.825 -11.854 216 HD22 LEU 25 HD22 LEU 25 6.806 -2.220 -13.364 217 HD23 LEU 25 HD23 LEU 25 5.480 -3.384 -13.398 218 H PHE 26 H PHE 26 5.882 1.640 -16.179 219 HA PHE 26 HA PHE 26 6.591 3.984 -14.940 220 HB2 PHE 26 HB2 PHE 26 6.183 3.416 -17.878 221 HB3 PHE 26 HB3 PHE 26 6.907 4.904 -17.276 222 HD1 PHE 26 HD1 PHE 26 7.724 1.973 -18.749 223 HD2 PHE 26 HD2 PHE 26 8.755 4.245 -15.300 224 HE1 PHE 26 HE1 PHE 26 9.922 0.870 -18.683 225 HE2 PHE 26 HE2 PHE 26 10.955 3.146 -15.229 226 HZ PHE 26 HZ PHE 26 11.542 1.456 -16.923 227 H ASP 27 H ASP 27 3.628 3.240 -16.645 228 HA ASP 27 HA ASP 27 2.578 5.746 -17.103 229 HB2 ASP 27 HB2 ASP 27 1.577 3.476 -17.695 230 HB3 ASP 27 HB3 ASP 27 0.925 3.448 -16.058 231 H ILE 28 H ILE 28 2.255 3.795 -14.141 232 HA ILE 28 HA ILE 28 1.126 6.088 -12.737 233 HB ILE 28 HB ILE 28 0.571 4.619 -10.970 234 HG12 ILE 28 HG12 ILE 28 2.449 2.636 -12.268 235 HG13 ILE 28 HG13 ILE 28 2.670 3.441 -10.718 236 HG21 ILE 28 HG21 ILE 28 0.187 2.702 -13.204 237 HG22 ILE 28 HG22 ILE 28 -0.968 3.301 -12.014 238 HG23 ILE 28 HG23 ILE 28 -0.495 4.319 -13.374 239 HD11 ILE 28 HD11 ILE 28 0.469 1.491 -11.349 240 HD12 ILE 28 HD12 ILE 28 1.961 1.105 -10.491 241 HD13 ILE 28 HD13 ILE 28 0.804 2.234 -9.785 242 H GLY 29 H GLY 29 4.089 4.277 -12.974 243 HA2 GLY 29 HA2 GLY 29 6.191 5.156 -12.342 244 HA3 GLY 29 HA3 GLY 29 5.375 6.238 -11.223 245 H GLU 30 H GLU 30 4.617 2.836 -11.352 246 HA GLU 30 HA GLU 30 4.854 2.379 -8.645 247 HB2 GLU 30 HB2 GLU 30 4.267 0.845 -10.916 248 HB3 GLU 30 HB3 GLU 30 5.598 0.010 -10.128 249 HG2 GLU 30 HG2 GLU 30 3.210 0.894 -8.562 250 HG3 GLU 30 HG3 GLU 30 3.181 -0.603 -9.492 251 H ILE 31 H ILE 31 7.183 1.087 -11.016 252 HA ILE 31 HA ILE 31 9.285 1.418 -8.977 253 HB ILE 31 HB ILE 31 10.365 -0.502 -9.718 254 HG12 ILE 31 HG12 ILE 31 10.369 0.038 -12.110 255 HG13 ILE 31 HG13 ILE 31 9.888 -1.634 -11.848 256 HG21 ILE 31 HG21 ILE 31 8.869 -2.003 -9.022 257 HG22 ILE 31 HG22 ILE 31 7.712 -0.674 -8.992 258 HG23 ILE 31 HG23 ILE 31 7.818 -1.718 -10.408 259 HD11 ILE 31 HD11 ILE 31 8.305 0.666 -12.839 260 HD12 ILE 31 HD12 ILE 31 8.339 -1.011 -13.386 261 HD13 ILE 31 HD13 ILE 31 7.474 -0.582 -11.911 262 H THR 32 H THR 32 11.361 2.090 -9.654 263 HA THR 32 HA THR 32 11.289 3.883 -11.940 264 HB THR 32 HB THR 32 13.315 4.842 -11.104 265 HG1 THR 32 HG1 THR 32 14.407 3.859 -9.313 266 HG21 THR 32 HG21 THR 32 10.977 4.821 -9.674 267 HG22 THR 32 HG22 THR 32 12.356 5.872 -9.353 268 HG23 THR 32 HG23 THR 32 12.166 4.366 -8.455 269 H LYS 33 H LYS 33 12.961 3.925 -13.546 270 HA LYS 33 HA LYS 33 13.424 1.583 -14.875 271 HB2 LYS 33 HB2 LYS 33 14.914 4.188 -14.844 272 HB3 LYS 33 HB3 LYS 33 15.490 2.850 -15.830 273 HG2 LYS 33 HG2 LYS 33 14.192 3.909 -17.361 274 HG3 LYS 33 HG3 LYS 33 12.978 2.842 -16.651 275 HD2 LYS 33 HD2 LYS 33 12.122 5.116 -16.867 276 HD3 LYS 33 HD3 LYS 33 12.257 4.654 -15.169 277 HE2 LYS 33 HE2 LYS 33 13.656 6.335 -14.757 278 HE3 LYS 33 HE3 LYS 33 14.700 5.866 -16.097 279 HZ1 LYS 33 HZ1 LYS 33 14.030 7.720 -17.086 280 HZ2 LYS 33 HZ2 LYS 33 12.817 7.997 -15.939 281 HZ3 LYS 33 HZ3 LYS 33 12.506 7.008 -17.276 282 H GLU 34 H GLU 34 15.281 2.952 -12.242 283 HA GLU 34 HA GLU 34 17.651 1.582 -12.384 284 HB2 GLU 34 HB2 GLU 34 16.045 2.096 -9.875 285 HB3 GLU 34 HB3 GLU 34 17.767 1.751 -9.941 286 HG2 GLU 34 HG2 GLU 34 17.064 3.982 -11.637 287 HG3 GLU 34 HG3 GLU 34 16.562 4.244 -9.968 288 H LEU 35 H LEU 35 14.530 0.394 -11.257 289 HA LEU 35 HA LEU 35 15.537 -2.132 -10.371 290 HB2 LEU 35 HB2 LEU 35 13.504 -1.181 -9.436 291 HB3 LEU 35 HB3 LEU 35 12.731 -1.238 -11.019 292 HG LEU 35 HG LEU 35 13.387 -3.852 -10.656 293 HD11 LEU 35 HD11 LEU 35 14.066 -3.020 -8.263 294 HD12 LEU 35 HD12 LEU 35 13.210 -4.546 -8.482 295 HD13 LEU 35 HD13 LEU 35 12.328 -3.105 -7.975 296 HD21 LEU 35 HD21 LEU 35 10.875 -2.425 -9.792 297 HD22 LEU 35 HD22 LEU 35 11.013 -4.160 -10.075 298 HD23 LEU 35 HD23 LEU 35 11.240 -3.027 -11.409 299 H TYR 36 H TYR 36 13.541 -1.160 -13.162 300 HA TYR 36 HA TYR 36 13.348 -3.580 -14.449 301 HB2 TYR 36 HB2 TYR 36 12.129 -2.096 -15.641 302 HB3 TYR 36 HB3 TYR 36 13.204 -0.757 -15.256 303 HD1 TYR 36 HD1 TYR 36 13.055 -3.823 -17.380 304 HD2 TYR 36 HD2 TYR 36 14.526 0.144 -16.933 305 HE1 TYR 36 HE1 TYR 36 13.971 -3.913 -19.661 306 HE2 TYR 36 HE2 TYR 36 15.446 0.066 -19.213 307 HH TYR 36 HH TYR 36 16.236 -2.012 -20.807 308 H ILE 37 H ILE 37 16.051 -1.330 -14.424 309 HA ILE 37 HA ILE 37 17.556 -2.832 -16.374 310 HB ILE 37 HB ILE 37 18.237 -0.469 -14.637 311 HG12 ILE 37 HG12 ILE 37 18.655 -0.107 -17.447 312 HG13 ILE 37 HG13 ILE 37 17.054 -0.795 -17.198 313 HG21 ILE 37 HG21 ILE 37 20.269 -1.691 -14.759 314 HG22 ILE 37 HG22 ILE 37 20.033 -2.038 -16.471 315 HG23 ILE 37 HG23 ILE 37 20.382 -0.391 -15.946 316 HD11 ILE 37 HD11 ILE 37 16.258 1.076 -16.241 317 HD12 ILE 37 HD12 ILE 37 17.782 1.444 -15.433 318 HD13 ILE 37 HD13 ILE 37 17.575 1.829 -17.141 319 H GLU 38 H GLU 38 18.034 -2.065 -12.920 320 HA GLU 38 HA GLU 38 20.217 -3.671 -12.427 321 HB2 GLU 38 HB2 GLU 38 19.217 -2.066 -10.814 322 HB3 GLU 38 HB3 GLU 38 17.905 -3.202 -10.537 323 HG2 GLU 38 HG2 GLU 38 19.099 -4.331 -9.058 324 HG3 GLU 38 HG3 GLU 38 20.446 -4.496 -10.182 325 H LEU 39 H LEU 39 16.815 -4.582 -11.844 326 HA LEU 39 HA LEU 39 17.268 -7.247 -11.198 327 HB2 LEU 39 HB2 LEU 39 14.938 -5.758 -12.325 328 HB3 LEU 39 HB3 LEU 39 14.870 -7.515 -12.200 329 HG LEU 39 HG LEU 39 13.779 -6.335 -10.314 330 HD11 LEU 39 HD11 LEU 39 16.179 -7.778 -9.260 331 HD12 LEU 39 HD12 LEU 39 14.960 -8.627 -10.209 332 HD13 LEU 39 HD13 LEU 39 14.507 -7.833 -8.701 333 HD21 LEU 39 HD21 LEU 39 15.228 -4.396 -10.171 334 HD22 LEU 39 HD22 LEU 39 16.589 -5.419 -9.710 335 HD23 LEU 39 HD23 LEU 39 15.205 -5.253 -8.630 336 H SER 40 H SER 40 16.881 -5.710 -14.343 337 HA SER 40 HA SER 40 16.643 -8.027 -15.905 338 HB2 SER 40 HB2 SER 40 16.155 -6.180 -17.169 339 HB3 SER 40 HB3 SER 40 17.403 -5.195 -16.405 340 HG SER 40 HG SER 40 17.611 -7.008 -18.534 341 H SER 41 H SER 41 19.552 -6.006 -15.461 342 HA SER 41 HA SER 41 21.772 -6.488 -15.628 343 HB2 SER 41 HB2 SER 41 20.705 -9.006 -14.352 344 HB3 SER 41 HB3 SER 41 22.428 -8.751 -14.629 345 HG SER 41 HG SER 41 22.321 -7.776 -12.765 346 H ASP 42 H ASP 42 20.659 -6.638 -18.039 347 HA ASP 42 HA ASP 42 22.000 -8.952 -19.259 348 HB2 ASP 42 HB2 ASP 42 19.229 -8.554 -19.230 349 HB3 ASP 42 HB3 ASP 42 19.744 -8.060 -20.841 350 H LEU 43 H LEU 43 20.387 -5.896 -20.157 351 HA LEU 43 HA LEU 43 22.516 -5.420 -22.115 352 HB2 LEU 43 HB2 LEU 43 21.055 -3.901 -23.190 353 HB3 LEU 43 HB3 LEU 43 20.114 -5.342 -22.810 354 HG LEU 43 HG LEU 43 19.825 -3.472 -20.674 355 HD11 LEU 43 HD11 LEU 43 18.585 -1.737 -22.072 356 HD12 LEU 43 HD12 LEU 43 19.520 -2.344 -23.438 357 HD13 LEU 43 HD13 LEU 43 20.346 -1.648 -22.044 358 HD21 LEU 43 HD21 LEU 43 18.171 -5.100 -21.058 359 HD22 LEU 43 HD22 LEU 43 18.019 -4.664 -22.760 360 HD23 LEU 43 HD23 LEU 43 17.427 -3.567 -21.512 Start of MODEL 20 1 H1 MET 1 H MET 1 -0.976 -2.655 -6.770 2 HA MET 1 HA MET 1 1.304 -0.913 -6.455 3 HB2 MET 1 HB2 MET 1 -1.506 -0.957 -5.550 4 HB3 MET 1 HB3 MET 1 -0.370 -0.200 -4.441 5 HG2 MET 1 HG2 MET 1 0.314 0.860 -6.893 6 HG3 MET 1 HG3 MET 1 -1.444 0.764 -6.952 7 HE1 MET 1 HE1 MET 1 -2.591 3.712 -5.522 8 HE2 MET 1 HE2 MET 1 -2.864 2.133 -6.257 9 HE3 MET 1 HE3 MET 1 -2.949 2.316 -4.505 10 H ASN 2 H ASN 2 2.778 -2.638 -5.771 11 HA ASN 2 HA ASN 2 2.589 -3.074 -2.869 12 HB2 ASN 2 HB2 ASN 2 3.025 -5.083 -5.031 13 HB3 ASN 2 HB3 ASN 2 3.903 -5.293 -3.519 14 HD21 ASN 2 HD21 ASN 2 1.015 -5.804 -5.144 15 HD22 ASN 2 HD22 ASN 2 0.051 -6.306 -3.801 16 H LYS 3 H LYS 3 4.675 -2.946 -5.723 17 HA LYS 3 HA LYS 3 6.761 -2.061 -6.004 18 HB2 LYS 3 HB2 LYS 3 5.839 -0.470 -4.119 19 HB3 LYS 3 HB3 LYS 3 6.980 -1.347 -3.108 20 HG2 LYS 3 HG2 LYS 3 8.649 -0.769 -5.052 21 HG3 LYS 3 HG3 LYS 3 7.488 0.523 -5.362 22 HD2 LYS 3 HD2 LYS 3 8.561 0.038 -2.604 23 HD3 LYS 3 HD3 LYS 3 9.468 0.996 -3.777 24 HE2 LYS 3 HE2 LYS 3 7.211 2.267 -4.064 25 HE3 LYS 3 HE3 LYS 3 6.828 1.565 -2.493 26 HZ1 LYS 3 HZ1 LYS 3 9.425 2.680 -2.453 27 HZ2 LYS 3 HZ2 LYS 3 8.083 3.079 -1.504 28 HZ3 LYS 3 HZ3 LYS 3 8.319 3.839 -2.997 29 H GLU 4 H GLU 4 6.735 -3.327 -2.665 30 HA GLU 4 HA GLU 4 9.221 -4.722 -3.127 31 HB2 GLU 4 HB2 GLU 4 7.421 -4.862 -0.705 32 HB3 GLU 4 HB3 GLU 4 9.113 -5.330 -0.795 33 HG2 GLU 4 HG2 GLU 4 9.639 -2.935 -1.333 34 HG3 GLU 4 HG3 GLU 4 7.962 -2.560 -0.942 35 H HIS 5 H HIS 5 5.820 -5.547 -2.684 36 HA HIS 5 HA HIS 5 6.328 -8.386 -2.819 37 HB2 HIS 5 HB2 HIS 5 4.325 -6.924 -1.710 38 HB3 HIS 5 HB3 HIS 5 3.569 -7.413 -3.224 39 HD1 HIS 5 HD1 HIS 5 5.197 -8.939 -0.166 40 HD2 HIS 5 HD2 HIS 5 2.631 -9.979 -3.263 41 HE1 HIS 5 HE1 HIS 5 4.359 -11.242 0.400 42 H ILE 6 H ILE 6 5.151 -5.851 -4.957 43 HA ILE 6 HA ILE 6 4.198 -7.414 -7.056 44 HB ILE 6 HB ILE 6 3.975 -4.920 -6.844 45 HG12 ILE 6 HG12 ILE 6 4.972 -6.049 -9.467 46 HG13 ILE 6 HG13 ILE 6 3.310 -6.050 -8.889 47 HG21 ILE 6 HG21 ILE 6 6.574 -4.649 -8.276 48 HG22 ILE 6 HG22 ILE 6 5.686 -3.465 -7.318 49 HG23 ILE 6 HG23 ILE 6 6.570 -4.764 -6.517 50 HD11 ILE 6 HD11 ILE 6 4.282 -3.375 -8.890 51 HD12 ILE 6 HD12 ILE 6 4.609 -4.113 -10.458 52 HD13 ILE 6 HD13 ILE 6 2.964 -4.082 -9.823 53 H LEU 7 H LEU 7 7.477 -6.469 -6.223 54 HA LEU 7 HA LEU 7 8.815 -7.089 -8.565 55 HB2 LEU 7 HB2 LEU 7 9.482 -6.707 -5.789 56 HB3 LEU 7 HB3 LEU 7 10.463 -7.992 -6.491 57 HG LEU 7 HG LEU 7 11.234 -6.443 -8.230 58 HD11 LEU 7 HD11 LEU 7 10.134 -4.577 -8.684 59 HD12 LEU 7 HD12 LEU 7 10.490 -3.961 -7.071 60 HD13 LEU 7 HD13 LEU 7 9.025 -4.901 -7.351 61 HD21 LEU 7 HD21 LEU 7 11.583 -5.446 -5.404 62 HD22 LEU 7 HD22 LEU 7 12.602 -5.001 -6.773 63 HD23 LEU 7 HD23 LEU 7 12.556 -6.674 -6.215 64 H ALA 8 H ALA 8 7.469 -9.209 -6.145 65 HA ALA 8 HA ALA 8 8.836 -11.574 -6.837 66 HB1 ALA 8 HB1 ALA 8 6.999 -10.861 -4.924 67 HB2 ALA 8 HB2 ALA 8 6.094 -11.985 -5.939 68 HB3 ALA 8 HB3 ALA 8 7.616 -12.489 -5.205 69 H GLN 9 H GLN 9 5.991 -10.006 -8.162 70 HA GLN 9 HA GLN 9 5.021 -12.150 -9.702 71 HB2 GLN 9 HB2 GLN 9 4.815 -9.214 -10.378 72 HB3 GLN 9 HB3 GLN 9 3.746 -10.503 -10.916 73 HG2 GLN 9 HG2 GLN 9 4.054 -9.470 -8.108 74 HG3 GLN 9 HG3 GLN 9 2.676 -9.235 -9.182 75 HE21 GLN 9 HE21 GLN 9 4.232 -11.321 -6.957 76 HE22 GLN 9 HE22 GLN 9 3.051 -12.582 -6.966 77 H LYS 10 H LYS 10 6.960 -9.344 -10.753 78 HA LYS 10 HA LYS 10 7.450 -10.201 -13.351 79 HB2 LYS 10 HB2 LYS 10 9.376 -8.666 -13.319 80 HB3 LYS 10 HB3 LYS 10 7.939 -7.933 -12.618 81 HG2 LYS 10 HG2 LYS 10 8.807 -7.929 -10.495 82 HG3 LYS 10 HG3 LYS 10 9.898 -9.277 -10.822 83 HD2 LYS 10 HD2 LYS 10 10.215 -6.562 -12.085 84 HD3 LYS 10 HD3 LYS 10 10.986 -7.011 -10.562 85 HE2 LYS 10 HE2 LYS 10 11.358 -8.380 -13.225 86 HE3 LYS 10 HE3 LYS 10 12.516 -7.312 -12.433 87 HZ1 LYS 10 HZ1 LYS 10 13.149 -9.561 -12.030 88 HZ2 LYS 10 HZ2 LYS 10 11.603 -9.970 -11.479 89 HZ3 LYS 10 HZ3 LYS 10 12.574 -8.922 -10.573 90 H GLU 11 H GLU 11 8.825 -11.266 -10.363 91 HA GLU 11 HA GLU 11 11.210 -12.403 -11.407 92 HB2 GLU 11 HB2 GLU 11 9.806 -12.335 -8.851 93 HB3 GLU 11 HB3 GLU 11 10.576 -13.886 -9.154 94 HG2 GLU 11 HG2 GLU 11 12.215 -11.498 -9.693 95 HG3 GLU 11 HG3 GLU 11 11.814 -11.809 -8.005 96 H VAL 12 H VAL 12 7.912 -13.421 -11.321 97 HA VAL 12 HA VAL 12 8.617 -16.180 -11.994 98 HB VAL 12 HB VAL 12 5.827 -15.085 -11.709 99 HG11 VAL 12 HG11 VAL 12 5.488 -17.519 -10.962 100 HG12 VAL 12 HG12 VAL 12 5.745 -17.207 -12.680 101 HG13 VAL 12 HG13 VAL 12 7.069 -17.815 -11.685 102 HG21 VAL 12 HG21 VAL 12 6.531 -14.550 -9.608 103 HG22 VAL 12 HG22 VAL 12 6.156 -16.254 -9.350 104 HG23 VAL 12 HG23 VAL 12 7.825 -15.749 -9.615 105 H LEU 13 H LEU 13 6.748 -13.453 -13.297 106 HA LEU 13 HA LEU 13 5.849 -14.560 -15.652 107 HB2 LEU 13 HB2 LEU 13 6.641 -11.798 -14.854 108 HB3 LEU 13 HB3 LEU 13 6.258 -12.125 -16.543 109 HG LEU 13 HG LEU 13 4.016 -12.824 -15.925 110 HD11 LEU 13 HD11 LEU 13 4.641 -13.744 -13.698 111 HD12 LEU 13 HD12 LEU 13 3.197 -12.733 -13.681 112 HD13 LEU 13 HD13 LEU 13 4.730 -12.089 -13.093 113 HD21 LEU 13 HD21 LEU 13 4.784 -10.179 -14.693 114 HD22 LEU 13 HD22 LEU 13 3.154 -10.665 -15.160 115 HD23 LEU 13 HD23 LEU 13 4.401 -10.463 -16.392 116 H THR 14 H THR 14 6.621 -14.386 -17.846 117 HA THR 14 HA THR 14 9.221 -15.372 -18.196 118 HB THR 14 HB THR 14 8.644 -14.416 -20.676 119 HG1 THR 14 HG1 THR 14 6.306 -14.751 -20.843 120 HG21 THR 14 HG21 THR 14 7.122 -16.829 -19.901 121 HG22 THR 14 HG22 THR 14 8.847 -16.842 -19.530 122 HG23 THR 14 HG23 THR 14 8.303 -16.598 -21.190 123 HA PRO 15 HA PRO 15 11.858 -11.879 -18.511 124 HB2 PRO 15 HB2 PRO 15 13.456 -12.519 -20.611 125 HB3 PRO 15 HB3 PRO 15 13.565 -13.323 -19.040 126 HG2 PRO 15 HG2 PRO 15 12.196 -14.232 -21.543 127 HG3 PRO 15 HG3 PRO 15 13.196 -15.164 -20.413 128 HD2 PRO 15 HD2 PRO 15 10.490 -15.259 -20.382 129 HD3 PRO 15 HD3 PRO 15 11.469 -15.437 -18.912 130 H ILE 16 H ILE 16 10.156 -12.841 -21.424 131 HA ILE 16 HA ILE 16 10.662 -10.324 -22.761 132 HB ILE 16 HB ILE 16 9.166 -12.815 -23.476 133 HG12 ILE 16 HG12 ILE 16 10.918 -11.420 -25.397 134 HG13 ILE 16 HG13 ILE 16 11.719 -11.981 -23.933 135 HG21 ILE 16 HG21 ILE 16 7.589 -11.195 -24.155 136 HG22 ILE 16 HG22 ILE 16 8.845 -10.117 -24.761 137 HG23 ILE 16 HG23 ILE 16 8.495 -11.624 -25.606 138 HD11 ILE 16 HD11 ILE 16 11.792 -14.036 -24.733 139 HD12 ILE 16 HD12 ILE 16 10.040 -14.055 -24.938 140 HD13 ILE 16 HD13 ILE 16 11.073 -13.453 -26.234 141 H GLU 17 H GLU 17 8.092 -11.850 -20.932 142 HA GLU 17 HA GLU 17 6.143 -9.827 -21.559 143 HB2 GLU 17 HB2 GLU 17 6.219 -12.160 -19.666 144 HB3 GLU 17 HB3 GLU 17 4.918 -10.980 -19.591 145 HG2 GLU 17 HG2 GLU 17 4.602 -11.447 -22.086 146 HG3 GLU 17 HG3 GLU 17 5.606 -12.869 -21.809 147 H TYR 18 H TYR 18 8.375 -10.512 -18.931 148 HA TYR 18 HA TYR 18 7.401 -8.705 -17.035 149 HB2 TYR 18 HB2 TYR 18 9.002 -9.912 -16.000 150 HB3 TYR 18 HB3 TYR 18 9.896 -10.180 -17.492 151 HD1 TYR 18 HD1 TYR 18 11.979 -9.205 -17.711 152 HD2 TYR 18 HD2 TYR 18 9.162 -7.446 -15.052 153 HE1 TYR 18 HE1 TYR 18 13.683 -7.586 -16.988 154 HE2 TYR 18 HE2 TYR 18 10.857 -5.821 -14.322 155 HH TYR 18 HH TYR 18 13.570 -5.138 -15.943 156 H GLU 19 H GLU 19 9.541 -8.236 -19.788 157 HA GLU 19 HA GLU 19 10.557 -5.726 -19.265 158 HB2 GLU 19 HB2 GLU 19 11.235 -7.055 -21.198 159 HB3 GLU 19 HB3 GLU 19 9.647 -6.842 -21.924 160 HG2 GLU 19 HG2 GLU 19 10.628 -4.267 -21.361 161 HG3 GLU 19 HG3 GLU 19 11.951 -5.169 -22.097 162 H HIS 20 H HIS 20 7.347 -6.627 -20.338 163 HA HIS 20 HA HIS 20 6.566 -3.865 -20.780 164 HB2 HIS 20 HB2 HIS 20 5.506 -6.492 -21.455 165 HB3 HIS 20 HB3 HIS 20 4.258 -5.413 -20.838 166 HD1 HIS 20 HD1 HIS 20 3.698 -3.315 -22.256 167 HD2 HIS 20 HD2 HIS 20 6.541 -5.821 -23.959 168 HE1 HIS 20 HE1 HIS 20 3.916 -2.560 -24.644 169 H TYR 21 H TYR 21 6.314 -6.318 -18.327 170 HA TYR 21 HA TYR 21 4.172 -5.427 -16.825 171 HB2 TYR 21 HB2 TYR 21 4.934 -7.335 -15.873 172 HB3 TYR 21 HB3 TYR 21 6.608 -6.999 -16.301 173 HD1 TYR 21 HD1 TYR 21 4.030 -6.655 -13.745 174 HD2 TYR 21 HD2 TYR 21 8.027 -5.660 -14.814 175 HE1 TYR 21 HE1 TYR 21 4.496 -6.040 -11.409 176 HE2 TYR 21 HE2 TYR 21 8.503 -5.043 -12.481 177 HH TYR 21 HH TYR 21 7.636 -5.532 -10.234 178 H VAL 22 H VAL 22 7.439 -4.162 -17.012 179 HA VAL 22 HA VAL 22 7.030 -2.301 -14.835 180 HB VAL 22 HB VAL 22 9.306 -2.644 -16.787 181 HG11 VAL 22 HG11 VAL 22 8.709 -0.492 -14.865 182 HG12 VAL 22 HG12 VAL 22 10.352 -1.134 -14.815 183 HG13 VAL 22 HG13 VAL 22 9.707 -0.474 -16.318 184 HG21 VAL 22 HG21 VAL 22 8.778 -3.507 -13.978 185 HG22 VAL 22 HG22 VAL 22 9.459 -4.421 -15.324 186 HG23 VAL 22 HG23 VAL 22 10.435 -3.204 -14.501 187 H LYS 23 H LYS 23 6.608 -2.364 -18.250 188 HA LYS 23 HA LYS 23 6.853 0.377 -18.838 189 HB2 LYS 23 HB2 LYS 23 5.197 -1.787 -20.142 190 HB3 LYS 23 HB3 LYS 23 5.384 -0.169 -20.804 191 HG2 LYS 23 HG2 LYS 23 7.729 -1.951 -20.221 192 HG3 LYS 23 HG3 LYS 23 6.871 -1.975 -21.764 193 HD2 LYS 23 HD2 LYS 23 7.307 0.480 -21.952 194 HD3 LYS 23 HD3 LYS 23 8.322 0.355 -20.513 195 HE2 LYS 23 HE2 LYS 23 9.041 -1.665 -22.431 196 HE3 LYS 23 HE3 LYS 23 9.071 -0.070 -23.181 197 HZ1 LYS 23 HZ1 LYS 23 10.693 0.672 -21.743 198 HZ2 LYS 23 HZ2 LYS 23 11.165 -0.934 -21.988 199 HZ3 LYS 23 HZ3 LYS 23 10.358 -0.497 -20.566 200 H HIS 24 H HIS 24 4.181 -1.544 -17.599 201 HA HIS 24 HA HIS 24 2.268 0.591 -17.803 202 HB2 HIS 24 HB2 HIS 24 1.104 -1.369 -17.838 203 HB3 HIS 24 HB3 HIS 24 2.275 -2.205 -16.823 204 HD1 HIS 24 HD1 HIS 24 -0.164 0.670 -16.239 205 HD2 HIS 24 HD2 HIS 24 1.119 -2.870 -14.485 206 HE1 HIS 24 HE1 HIS 24 -1.488 0.455 -14.112 207 H LEU 25 H LEU 25 4.417 -0.676 -15.345 208 HA LEU 25 HA LEU 25 3.355 0.467 -13.058 209 HB2 LEU 25 HB2 LEU 25 6.079 -0.318 -13.933 210 HB3 LEU 25 HB3 LEU 25 5.945 0.691 -12.495 211 HG LEU 25 HG LEU 25 5.066 -0.986 -11.233 212 HD11 LEU 25 HD11 LEU 25 3.804 -2.919 -12.213 213 HD12 LEU 25 HD12 LEU 25 3.897 -2.101 -13.772 214 HD13 LEU 25 HD13 LEU 25 3.044 -1.342 -12.429 215 HD21 LEU 25 HD21 LEU 25 6.455 -2.774 -11.429 216 HD22 LEU 25 HD22 LEU 25 7.254 -1.689 -12.567 217 HD23 LEU 25 HD23 LEU 25 6.171 -2.949 -13.161 218 H PHE 26 H PHE 26 5.596 1.895 -15.412 219 HA PHE 26 HA PHE 26 6.178 4.287 -14.221 220 HB2 PHE 26 HB2 PHE 26 5.570 3.785 -17.141 221 HB3 PHE 26 HB3 PHE 26 6.355 5.233 -16.520 222 HD1 PHE 26 HD1 PHE 26 6.886 2.073 -17.914 223 HD2 PHE 26 HD2 PHE 26 8.480 4.763 -15.026 224 HE1 PHE 26 HE1 PHE 26 9.070 0.952 -18.080 225 HE2 PHE 26 HE2 PHE 26 10.667 3.647 -15.189 226 HZ PHE 26 HZ PHE 26 10.964 1.739 -16.718 227 H ASP 27 H ASP 27 3.162 3.291 -15.662 228 HA ASP 27 HA ASP 27 1.868 5.676 -16.096 229 HB2 ASP 27 HB2 ASP 27 0.954 3.382 -16.545 230 HB3 ASP 27 HB3 ASP 27 0.591 3.247 -14.826 231 H ILE 28 H ILE 28 2.016 3.866 -13.033 232 HA ILE 28 HA ILE 28 0.947 6.210 -11.635 233 HB ILE 28 HB ILE 28 0.466 4.806 -9.791 234 HG12 ILE 28 HG12 ILE 28 2.159 2.714 -11.172 235 HG13 ILE 28 HG13 ILE 28 2.534 3.548 -9.668 236 HG21 ILE 28 HG21 ILE 28 -0.155 2.854 -11.936 237 HG22 ILE 28 HG22 ILE 28 -1.200 3.547 -10.696 238 HG23 ILE 28 HG23 ILE 28 -0.769 4.497 -12.118 239 HD11 ILE 28 HD11 ILE 28 0.213 1.678 -10.073 240 HD12 ILE 28 HD12 ILE 28 1.748 1.255 -9.314 241 HD13 ILE 28 HD13 ILE 28 0.693 2.450 -8.562 242 H GLY 29 H GLY 29 3.823 4.274 -11.986 243 HA2 GLY 29 HA2 GLY 29 5.982 5.181 -11.531 244 HA3 GLY 29 HA3 GLY 29 5.257 6.211 -10.306 245 H GLU 30 H GLU 30 4.409 2.849 -10.476 246 HA GLU 30 HA GLU 30 4.989 2.320 -7.809 247 HB2 GLU 30 HB2 GLU 30 3.857 0.925 -9.933 248 HB3 GLU 30 HB3 GLU 30 5.254 -0.044 -9.484 249 HG2 GLU 30 HG2 GLU 30 4.456 -0.105 -7.169 250 HG3 GLU 30 HG3 GLU 30 3.043 0.836 -7.641 251 H ILE 31 H ILE 31 6.800 1.022 -10.597 252 HA ILE 31 HA ILE 31 9.192 0.943 -8.881 253 HB ILE 31 HB ILE 31 8.366 -0.772 -11.209 254 HG12 ILE 31 HG12 ILE 31 9.130 -2.531 -9.445 255 HG13 ILE 31 HG13 ILE 31 8.991 -1.200 -8.302 256 HG21 ILE 31 HG21 ILE 31 10.632 -1.841 -10.976 257 HG22 ILE 31 HG22 ILE 31 10.622 -0.238 -11.710 258 HG23 ILE 31 HG23 ILE 31 11.113 -0.434 -10.028 259 HD11 ILE 31 HD11 ILE 31 6.642 -1.364 -9.946 260 HD12 ILE 31 HD12 ILE 31 6.974 -2.910 -9.165 261 HD13 ILE 31 HD13 ILE 31 6.798 -1.450 -8.192 262 H THR 32 H THR 32 11.107 1.807 -9.588 263 HA THR 32 HA THR 32 10.933 3.889 -11.541 264 HB THR 32 HB THR 32 13.462 4.050 -11.094 265 HG1 THR 32 HG1 THR 32 14.212 2.890 -9.340 266 HG21 THR 32 HG21 THR 32 11.301 5.111 -9.818 267 HG22 THR 32 HG22 THR 32 12.977 5.550 -9.484 268 HG23 THR 32 HG23 THR 32 12.161 4.353 -8.478 269 H LYS 33 H LYS 33 12.235 4.108 -13.435 270 HA LYS 33 HA LYS 33 12.183 1.929 -15.161 271 HB2 LYS 33 HB2 LYS 33 12.282 3.945 -16.277 272 HB3 LYS 33 HB3 LYS 33 13.511 4.601 -15.204 273 HG2 LYS 33 HG2 LYS 33 14.260 2.317 -16.945 274 HG3 LYS 33 HG3 LYS 33 14.054 3.904 -17.689 275 HD2 LYS 33 HD2 LYS 33 15.966 3.102 -15.508 276 HD3 LYS 33 HD3 LYS 33 16.342 3.742 -17.110 277 HE2 LYS 33 HE2 LYS 33 14.941 5.795 -16.268 278 HE3 LYS 33 HE3 LYS 33 15.349 5.156 -14.677 279 HZ1 LYS 33 HZ1 LYS 33 16.956 6.659 -16.436 280 HZ2 LYS 33 HZ2 LYS 33 17.684 5.154 -16.179 281 HZ3 LYS 33 HZ3 LYS 33 17.305 6.146 -14.862 282 H GLU 34 H GLU 34 14.699 3.043 -12.995 283 HA GLU 34 HA GLU 34 16.918 1.733 -13.971 284 HB2 GLU 34 HB2 GLU 34 16.135 2.038 -11.066 285 HB3 GLU 34 HB3 GLU 34 17.755 1.703 -11.663 286 HG2 GLU 34 HG2 GLU 34 17.730 3.866 -12.849 287 HG3 GLU 34 HG3 GLU 34 16.150 4.203 -12.143 288 H LEU 35 H LEU 35 14.528 0.444 -11.664 289 HA LEU 35 HA LEU 35 15.565 -2.073 -11.281 290 HB2 LEU 35 HB2 LEU 35 13.093 -0.759 -10.829 291 HB3 LEU 35 HB3 LEU 35 12.743 -2.332 -11.543 292 HG LEU 35 HG LEU 35 14.199 -3.329 -9.723 293 HD11 LEU 35 HD11 LEU 35 15.446 -1.528 -8.913 294 HD12 LEU 35 HD12 LEU 35 14.252 -1.833 -7.651 295 HD13 LEU 35 HD13 LEU 35 14.027 -0.489 -8.771 296 HD21 LEU 35 HD21 LEU 35 11.619 -3.112 -9.819 297 HD22 LEU 35 HD22 LEU 35 11.843 -1.901 -8.557 298 HD23 LEU 35 HD23 LEU 35 12.389 -3.558 -8.297 299 H TYR 36 H TYR 36 13.358 -1.026 -13.861 300 HA TYR 36 HA TYR 36 12.933 -3.422 -15.142 301 HB2 TYR 36 HB2 TYR 36 11.716 -1.897 -16.268 302 HB3 TYR 36 HB3 TYR 36 12.836 -0.593 -15.887 303 HD1 TYR 36 HD1 TYR 36 14.089 0.344 -17.595 304 HD2 TYR 36 HD2 TYR 36 12.533 -3.583 -18.103 305 HE1 TYR 36 HE1 TYR 36 14.904 0.328 -19.916 306 HE2 TYR 36 HE2 TYR 36 13.345 -3.611 -20.424 307 HH TYR 36 HH TYR 36 14.445 -0.806 -22.020 308 H ILE 37 H ILE 37 15.764 -1.355 -15.247 309 HA ILE 37 HA ILE 37 17.031 -2.936 -17.320 310 HB ILE 37 HB ILE 37 17.984 -0.585 -15.693 311 HG12 ILE 37 HG12 ILE 37 18.118 -0.117 -18.468 312 HG13 ILE 37 HG13 ILE 37 16.574 -0.914 -18.186 313 HG21 ILE 37 HG21 ILE 37 19.919 -1.928 -16.064 314 HG22 ILE 37 HG22 ILE 37 19.470 -2.211 -17.745 315 HG23 ILE 37 HG23 ILE 37 19.965 -0.600 -17.223 316 HD11 ILE 37 HD11 ILE 37 16.526 0.901 -16.210 317 HD12 ILE 37 HD12 ILE 37 17.496 1.765 -17.404 318 HD13 ILE 37 HD13 ILE 37 15.883 1.190 -17.826 319 H GLU 38 H GLU 38 17.747 -2.142 -13.916 320 HA GLU 38 HA GLU 38 19.927 -3.780 -13.532 321 HB2 GLU 38 HB2 GLU 38 18.207 -2.269 -11.904 322 HB3 GLU 38 HB3 GLU 38 18.206 -3.887 -11.217 323 HG2 GLU 38 HG2 GLU 38 19.986 -3.066 -10.106 324 HG3 GLU 38 HG3 GLU 38 20.827 -3.603 -11.559 325 H LEU 39 H LEU 39 16.545 -4.637 -12.774 326 HA LEU 39 HA LEU 39 17.009 -7.314 -12.153 327 HB2 LEU 39 HB2 LEU 39 14.635 -5.762 -13.066 328 HB3 LEU 39 HB3 LEU 39 14.534 -7.521 -13.013 329 HG LEU 39 HG LEU 39 13.617 -6.355 -11.004 330 HD11 LEU 39 HD11 LEU 39 15.951 -7.979 -10.116 331 HD12 LEU 39 HD12 LEU 39 14.724 -8.723 -11.141 332 HD13 LEU 39 HD13 LEU 39 14.271 -8.032 -9.583 333 HD21 LEU 39 HD21 LEU 39 15.352 -4.563 -10.972 334 HD22 LEU 39 HD22 LEU 39 16.506 -5.762 -10.386 335 HD23 LEU 39 HD23 LEU 39 15.093 -5.349 -9.414 336 H SER 40 H SER 40 16.472 -5.744 -15.251 337 HA SER 40 HA SER 40 16.091 -8.075 -16.792 338 HB2 SER 40 HB2 SER 40 16.782 -5.234 -17.362 339 HB3 SER 40 HB3 SER 40 17.098 -6.418 -18.630 340 HG SER 40 HG SER 40 15.022 -6.641 -18.940 341 H SER 41 H SER 41 18.925 -5.981 -17.171 342 HA SER 41 HA SER 41 21.122 -6.441 -17.538 343 HB2 SER 41 HB2 SER 41 21.309 -7.220 -15.319 344 HB3 SER 41 HB3 SER 41 20.374 -8.676 -15.660 345 HG SER 41 HG SER 41 23.054 -8.104 -16.205 346 H ASP 42 H ASP 42 20.339 -9.853 -17.293 347 HA ASP 42 HA ASP 42 20.306 -11.546 -18.818 348 HB2 ASP 42 HB2 ASP 42 18.746 -9.886 -20.023 349 HB3 ASP 42 HB3 ASP 42 20.139 -9.518 -21.036 350 H LEU 43 H LEU 43 21.920 -8.968 -20.674 351 HA LEU 43 HA LEU 43 23.975 -8.851 -21.639 352 HB2 LEU 43 HB2 LEU 43 24.356 -9.878 -18.977 353 HB3 LEU 43 HB3 LEU 43 25.576 -10.530 -20.070 354 HG LEU 43 HG LEU 43 26.393 -8.539 -18.943 355 HD11 LEU 43 HD11 LEU 43 27.460 -7.746 -20.762 356 HD12 LEU 43 HD12 LEU 43 25.965 -7.467 -21.654 357 HD13 LEU 43 HD13 LEU 43 26.646 -9.090 -21.562 358 HD21 LEU 43 HD21 LEU 43 24.130 -7.073 -20.294 359 HD22 LEU 43 HD22 LEU 43 25.382 -6.372 -19.267 360 HD23 LEU 43 HD23 LEU 43 24.192 -7.477 -18.578
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