NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10543 | 1pv0 | 5847 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 12.674 -5.303 -2.066 2 2H MET 1 2HT MET 1 11.410 -6.133 -1.257 3 3H MET 1 3HT MET 1 11.420 -4.418 -1.304 4 HA MET 1 HA MET 1 9.878 -4.975 -2.859 5 1HB MET 1 2HB MET 1 12.589 -4.310 -3.862 6 2HB MET 1 1HB MET 1 11.411 -4.791 -5.075 7 1HG MET 1 2HG MET 1 11.336 -2.437 -4.928 8 2HG MET 1 1HG MET 1 9.877 -3.047 -4.151 9 1HE MET 1 1HE MET 1 9.172 -1.500 -1.855 10 2HE MET 1 2HE MET 1 10.113 -2.250 -0.566 11 3HE MET 1 3HE MET 1 9.434 -3.243 -1.855 12 H ARG 2 H ARG 2 12.797 -6.858 -3.680 13 HA ARG 2 HA ARG 2 11.230 -8.798 -5.133 14 1HB ARG 2 2HB ARG 2 14.154 -8.467 -4.535 15 2HB ARG 2 1HB ARG 2 13.546 -9.974 -5.206 16 1HG ARG 2 2HG ARG 2 12.806 -8.905 -7.181 17 2HG ARG 2 1HG ARG 2 13.046 -7.302 -6.484 18 1HD ARG 2 2HD ARG 2 14.977 -7.399 -7.653 19 2HD ARG 2 1HD ARG 2 15.531 -8.282 -6.230 20 HE ARG 2 HE ARG 2 14.403 -10.104 -8.034 21 1HH1 ARG 2 1HH1 ARG 2 17.201 -8.021 -7.770 22 2HH1 ARG 2 2HH1 ARG 2 18.193 -9.027 -8.770 23 1HH2 ARG 2 1HH2 ARG 2 15.714 -11.420 -9.345 24 2HH2 ARG 2 2HH2 ARG 2 17.351 -10.953 -9.663 25 H LYS 3 H LYS 3 13.260 -8.843 -2.208 26 HA LYS 3 HA LYS 3 11.700 -11.160 -1.277 27 1HB LYS 3 2HB LYS 3 14.641 -10.792 -1.448 28 2HB LYS 3 1HB LYS 3 14.026 -11.585 -0.004 29 1HG LYS 3 2HG LYS 3 13.371 -13.441 -1.130 30 2HG LYS 3 1HG LYS 3 13.014 -12.552 -2.612 31 1HD LYS 3 2HD LYS 3 15.536 -12.224 -2.822 32 2HD LYS 3 1HD LYS 3 15.683 -13.463 -1.573 33 1HE LYS 3 2HE LYS 3 14.133 -13.872 -4.120 34 2HE LYS 3 1HE LYS 3 15.844 -14.268 -3.964 35 1HZ LYS 3 1HZ LYS 3 13.700 -15.385 -2.240 36 2HZ LYS 3 2HZ LYS 3 15.331 -15.833 -2.243 37 3HZ LYS 3 3HZ LYS 3 14.359 -16.177 -3.583 38 H LEU 4 H LEU 4 10.693 -10.816 0.581 39 HA LEU 4 HA LEU 4 11.842 -9.547 2.821 40 1HB LEU 4 2HB LEU 4 9.977 -7.669 2.769 41 2HB LEU 4 1HB LEU 4 11.564 -7.419 2.075 42 HG LEU 4 HG LEU 4 10.735 -7.709 -0.149 43 1HD1 LEU 4 1HD1 LEU 4 9.231 -9.475 -0.083 44 2HD1 LEU 4 2HD1 LEU 4 8.196 -8.085 -0.414 45 3HD1 LEU 4 3HD1 LEU 4 8.284 -8.751 1.216 46 1HD2 LEU 4 1HD2 LEU 4 10.373 -5.507 0.566 47 2HD2 LEU 4 2HD2 LEU 4 9.012 -5.971 1.588 48 3HD2 LEU 4 3HD2 LEU 4 8.847 -6.000 -0.169 49 H SER 5 H SER 5 10.577 -9.747 4.670 50 HA SER 5 HA SER 5 8.656 -11.814 4.648 51 1HB SER 5 2HB SER 5 8.232 -10.868 7.060 52 2HB SER 5 1HB SER 5 9.763 -11.653 6.680 53 HG SER 5 HG SER 5 10.691 -9.848 7.175 54 H ASP 6 H ASP 6 6.419 -11.759 5.095 55 HA ASP 6 HA ASP 6 4.994 -9.728 3.753 56 1HB ASP 6 2HB ASP 6 3.568 -11.357 5.820 57 2HB ASP 6 1HB ASP 6 3.053 -10.891 4.209 58 H GLU 7 H GLU 7 5.950 -10.154 7.077 59 HA GLU 7 HA GLU 7 4.223 -8.238 8.219 60 1HB GLU 7 2HB GLU 7 6.570 -9.778 9.058 61 2HB GLU 7 1HB GLU 7 6.477 -8.193 9.815 62 1HG GLU 7 2HG GLU 7 3.927 -9.059 10.110 63 2HG GLU 7 1HG GLU 7 4.818 -10.577 10.206 64 H LEU 8 H LEU 8 7.428 -8.026 6.788 65 HA LEU 8 HA LEU 8 7.657 -5.209 7.368 66 1HB LEU 8 2HB LEU 8 9.356 -7.230 6.000 67 2HB LEU 8 1HB LEU 8 9.632 -5.532 5.652 68 HG LEU 8 HG LEU 8 9.675 -5.321 8.274 69 1HD1 LEU 8 1HD1 LEU 8 10.891 -8.018 8.140 70 2HD1 LEU 8 2HD1 LEU 8 9.134 -7.911 8.252 71 3HD1 LEU 8 3HD1 LEU 8 10.144 -7.173 9.495 72 1HD2 LEU 8 1HD2 LEU 8 11.866 -6.313 6.481 73 2HD2 LEU 8 2HD2 LEU 8 12.152 -5.858 8.161 74 3HD2 LEU 8 3HD2 LEU 8 11.541 -4.665 7.015 75 H LEU 9 H LEU 9 6.924 -7.239 4.581 76 HA LEU 9 HA LEU 9 6.828 -5.181 2.656 77 1HB LEU 9 2HB LEU 9 6.928 -7.509 1.993 78 2HB LEU 9 1HB LEU 9 5.401 -7.839 2.787 79 HG LEU 9 HG LEU 9 4.371 -6.175 1.133 80 1HD1 LEU 9 1HD1 LEU 9 6.825 -5.478 0.485 81 2HD1 LEU 9 2HD1 LEU 9 5.527 -5.474 -0.709 82 3HD1 LEU 9 3HD1 LEU 9 6.664 -6.821 -0.646 83 1HD2 LEU 9 1HD2 LEU 9 4.129 -7.889 -0.571 84 2HD2 LEU 9 2HD2 LEU 9 4.053 -8.608 1.038 85 3HD2 LEU 9 3HD2 LEU 9 5.524 -8.754 0.076 86 H ILE 10 H ILE 10 4.404 -6.583 4.794 87 HA ILE 10 HA ILE 10 2.296 -4.921 3.822 88 HB ILE 10 HB ILE 10 2.476 -6.585 6.330 89 1HG1 ILE 10 2HG1 ILE 10 0.821 -7.206 3.914 90 2HG1 ILE 10 1HG1 ILE 10 2.540 -7.578 3.906 91 1HG2 ILE 10 1HG2 ILE 10 0.085 -6.345 6.530 92 2HG2 ILE 10 2HG2 ILE 10 0.023 -5.370 5.062 93 3HG2 ILE 10 3HG2 ILE 10 0.821 -4.742 6.504 94 1HD1 ILE 10 1HD1 ILE 10 2.259 -9.355 5.194 95 2HD1 ILE 10 2HD1 ILE 10 0.547 -9.192 4.826 96 3HD1 ILE 10 3HD1 ILE 10 1.197 -8.492 6.304 97 H GLU 11 H GLU 11 4.655 -4.792 6.396 98 HA GLU 11 HA GLU 11 3.559 -2.643 7.852 99 1HB GLU 11 2HB GLU 11 6.178 -3.984 7.662 100 2HB GLU 11 1HB GLU 11 6.235 -2.339 8.247 101 1HG GLU 11 2HG GLU 11 4.386 -4.382 9.426 102 2HG GLU 11 1HG GLU 11 6.053 -4.196 9.969 103 H SER 12 H SER 12 5.367 -2.834 4.877 104 HA SER 12 HA SER 12 6.095 -0.062 4.798 105 1HB SER 12 2HB SER 12 7.056 -2.145 3.460 106 2HB SER 12 1HB SER 12 5.810 -1.687 2.298 107 HG SER 12 HG SER 12 8.195 -0.590 2.655 108 H TYR 13 H TYR 13 3.558 -2.058 3.336 109 HA TYR 13 HA TYR 13 2.264 0.030 1.940 110 1HB TYR 13 2HB TYR 13 1.875 -2.383 1.505 111 2HB TYR 13 1HB TYR 13 1.061 -2.514 3.058 112 HD1 TYR 13 1HD TYR 13 -1.239 -2.241 3.156 113 HD2 TYR 13 2HD TYR 13 0.886 -0.613 -0.150 114 HE1 TYR 13 1HE TYR 13 -3.370 -1.622 2.100 115 HE2 TYR 13 2HE TYR 13 -1.240 0.012 -1.215 116 HH TYR 13 HH TYR 13 -4.221 -1.172 -0.205 117 H PHE 14 H PHE 14 1.912 -1.297 5.180 118 HA PHE 14 HA PHE 14 -0.348 0.271 5.904 119 1HB PHE 14 2HB PHE 14 1.683 -1.273 7.493 120 2HB PHE 14 1HB PHE 14 0.382 -0.387 8.265 121 HD1 PHE 14 1HD PHE 14 -0.169 -2.621 9.271 122 HD2 PHE 14 2HD PHE 14 -0.497 -1.876 5.090 123 HE1 PHE 14 1HE PHE 14 -1.622 -4.591 9.032 124 HE2 PHE 14 2HE PHE 14 -1.949 -3.841 4.850 125 HZ PHE 14 HZ PHE 14 -2.512 -5.208 6.819 126 H LYS 15 H LYS 15 3.130 0.559 6.540 127 HA LYS 15 HA LYS 15 3.021 2.919 8.058 128 1HB LYS 15 2HB LYS 15 5.155 1.571 6.441 129 2HB LYS 15 1HB LYS 15 5.444 3.175 7.090 130 1HG LYS 15 2HG LYS 15 4.879 2.272 9.355 131 2HG LYS 15 1HG LYS 15 4.845 0.665 8.636 132 1HD LYS 15 2HD LYS 15 7.230 2.451 8.310 133 2HD LYS 15 1HD LYS 15 7.020 1.469 9.763 134 1HE LYS 15 2HE LYS 15 7.113 -0.540 8.548 135 2HE LYS 15 1HE LYS 15 6.860 0.283 7.008 136 1HZ LYS 15 1HZ LYS 15 9.225 1.048 8.527 137 2HZ LYS 15 2HZ LYS 15 9.024 0.858 6.858 138 3HZ LYS 15 3HZ LYS 15 9.239 -0.501 7.844 139 H ALA 16 H ALA 16 3.441 2.381 4.586 140 HA ALA 16 HA ALA 16 3.852 5.037 3.837 141 1HB ALA 16 1HB ALA 16 4.380 3.441 2.222 142 2HB ALA 16 2HB ALA 16 2.934 4.226 1.585 143 3HB ALA 16 3HB ALA 16 2.811 2.647 2.362 144 H THR 17 H THR 17 0.857 3.243 4.344 145 HA THR 17 HA THR 17 -0.843 5.239 3.257 146 HB THR 17 HB THR 17 -2.659 4.043 4.380 147 HG1 THR 17 1HG THR 17 -1.928 3.402 6.301 148 1HG2 THR 17 1HG2 THR 17 -1.541 1.591 3.698 149 2HG2 THR 17 2HG2 THR 17 -0.774 2.767 2.630 150 3HG2 THR 17 3HG2 THR 17 -2.533 2.638 2.682 151 H GLU 18 H GLU 18 0.581 4.706 6.405 152 HA GLU 18 HA GLU 18 -1.037 6.633 7.762 153 1HB GLU 18 2HB GLU 18 1.063 4.756 8.444 154 2HB GLU 18 1HB GLU 18 1.302 6.298 9.254 155 1HG GLU 18 2HG GLU 18 -1.331 5.919 9.694 156 2HG GLU 18 1HG GLU 18 -0.765 4.250 9.650 157 H MET 19 H MET 19 2.237 6.644 6.431 158 HA MET 19 HA MET 19 2.654 9.401 7.169 159 1HB MET 19 2HB MET 19 4.843 9.125 6.231 160 2HB MET 19 1HB MET 19 4.472 7.720 7.210 161 1HG MET 19 2HG MET 19 4.028 6.413 5.249 162 2HG MET 19 1HG MET 19 4.216 7.827 4.216 163 1HE MET 19 1HE MET 19 5.797 4.876 5.905 164 2HE MET 19 2HE MET 19 7.330 4.853 5.034 165 3HE MET 19 3HE MET 19 5.808 4.834 4.143 166 H ASN 20 H ASN 20 1.265 7.780 4.517 167 HA ASN 20 HA ASN 20 0.300 8.576 2.612 168 1HB ASN 20 2HB ASN 20 1.499 11.290 3.121 169 2HB ASN 20 1HB ASN 20 0.070 10.893 2.176 170 1HD2 ASN 20 1HD2 ASN 20 1.241 11.885 5.162 171 2HD2 ASN 20 2HD2 ASN 20 -0.220 11.736 6.071 172 H LEU 21 H LEU 21 2.795 7.327 2.704 173 HA LEU 21 HA LEU 21 4.847 8.530 1.251 174 1HB LEU 21 2HB LEU 21 4.667 6.240 2.519 175 2HB LEU 21 1HB LEU 21 4.218 5.619 0.944 176 HG LEU 21 HG LEU 21 6.759 7.169 1.337 177 1HD1 LEU 21 1HD1 LEU 21 6.122 4.433 2.215 178 2HD1 LEU 21 2HD1 LEU 21 7.360 5.554 2.782 179 3HD1 LEU 21 3HD1 LEU 21 7.622 4.624 1.307 180 1HD2 LEU 21 1HD2 LEU 21 6.917 6.835 -0.857 181 2HD2 LEU 21 2HD2 LEU 21 5.451 5.855 -0.862 182 3HD2 LEU 21 3HD2 LEU 21 7.015 5.102 -0.551 183 H ASN 22 H ASN 22 5.492 8.215 -0.979 184 HA ASN 22 HA ASN 22 3.750 9.010 -2.893 185 1HB ASN 22 2HB ASN 22 6.313 8.617 -3.004 186 2HB ASN 22 1HB ASN 22 5.882 7.030 -3.634 187 1HD2 ASN 22 1HD2 ASN 22 7.039 9.714 -4.690 188 2HD2 ASN 22 2HD2 ASN 22 6.205 9.918 -6.190 189 H ARG 23 H ARG 23 2.298 8.169 -4.294 190 HA ARG 23 HA ARG 23 0.899 5.853 -3.637 191 1HB ARG 23 2HB ARG 23 0.242 7.911 -5.104 192 2HB ARG 23 1HB ARG 23 0.867 6.937 -6.428 193 1HG ARG 23 2HG ARG 23 -0.875 5.511 -6.383 194 2HG ARG 23 1HG ARG 23 -1.035 5.586 -4.628 195 1HD ARG 23 2HD ARG 23 -1.811 7.863 -6.435 196 2HD ARG 23 1HD ARG 23 -2.934 6.582 -5.984 197 HE ARG 23 HE ARG 23 -1.744 7.688 -3.674 198 1HH1 ARG 23 1HH1 ARG 23 -4.113 8.443 -6.135 199 2HH1 ARG 23 2HH1 ARG 23 -5.021 9.500 -5.106 200 1HH2 ARG 23 1HH2 ARG 23 -2.942 9.076 -2.330 201 2HH2 ARG 23 2HH2 ARG 23 -4.358 9.858 -2.950 202 H ASP 24 H ASP 24 3.649 6.292 -5.731 203 HA ASP 24 HA ASP 24 3.389 3.905 -7.198 204 1HB ASP 24 2HB ASP 24 5.659 5.762 -6.600 205 2HB ASP 24 1HB ASP 24 6.000 4.210 -7.356 206 H PHE 25 H PHE 25 4.912 4.622 -4.104 207 HA PHE 25 HA PHE 25 6.045 2.012 -3.794 208 1HB PHE 25 2HB PHE 25 6.694 4.270 -2.622 209 2HB PHE 25 1HB PHE 25 5.437 3.818 -1.475 210 HD1 PHE 25 1HD PHE 25 6.395 3.066 0.467 211 HD2 PHE 25 2HD PHE 25 8.070 1.864 -3.256 212 HE1 PHE 25 1HE PHE 25 7.996 1.626 1.657 213 HE2 PHE 25 2HE PHE 25 9.674 0.421 -2.073 214 HZ PHE 25 HZ PHE 25 9.639 0.301 0.387 215 H ILE 26 H ILE 26 3.164 3.693 -2.676 216 HA ILE 26 HA ILE 26 2.119 1.682 -1.022 217 HB ILE 26 HB ILE 26 0.713 3.824 -2.629 218 1HG1 ILE 26 2HG1 ILE 26 1.516 3.696 0.284 219 2HG1 ILE 26 1HG1 ILE 26 2.294 4.670 -0.959 220 1HG2 ILE 26 1HG2 ILE 26 -1.139 3.482 -0.927 221 2HG2 ILE 26 2HG2 ILE 26 -0.354 1.955 -0.523 222 3HG2 ILE 26 3HG2 ILE 26 -0.966 2.227 -2.154 223 1HD1 ILE 26 1HD1 ILE 26 0.908 6.124 0.262 224 2HD1 ILE 26 2HD1 ILE 26 -0.450 5.001 0.206 225 3HD1 ILE 26 3HD1 ILE 26 0.073 5.824 -1.262 226 H GLU 27 H GLU 27 1.726 2.341 -4.481 227 HA GLU 27 HA GLU 27 -0.058 0.142 -4.900 228 1HB GLU 27 2HB GLU 27 0.525 2.387 -6.322 229 2HB GLU 27 1HB GLU 27 1.453 1.189 -7.210 230 1HG GLU 27 2HG GLU 27 -0.395 0.101 -7.961 231 2HG GLU 27 1HG GLU 27 -1.359 0.531 -6.549 232 H LEU 28 H LEU 28 3.383 0.694 -5.139 233 HA LEU 28 HA LEU 28 4.056 -1.681 -6.512 234 1HB LEU 28 2HB LEU 28 5.707 -0.029 -6.518 235 2HB LEU 28 1HB LEU 28 5.536 0.290 -4.806 236 HG LEU 28 HG LEU 28 6.641 -2.349 -5.677 237 1HD1 LEU 28 1HD1 LEU 28 8.044 0.300 -5.772 238 2HD1 LEU 28 2HD1 LEU 28 8.021 -0.986 -6.979 239 3HD1 LEU 28 3HD1 LEU 28 8.920 -1.202 -5.477 240 1HD2 LEU 28 1HD2 LEU 28 6.387 -2.300 -3.387 241 2HD2 LEU 28 2HD2 LEU 28 6.745 -0.577 -3.277 242 3HD2 LEU 28 3HD2 LEU 28 8.046 -1.730 -3.567 243 H ILE 29 H ILE 29 3.957 -0.863 -3.056 244 HA ILE 29 HA ILE 29 4.734 -3.443 -2.167 245 HB ILE 29 HB ILE 29 3.139 -1.377 -0.642 246 1HG1 ILE 29 2HG1 ILE 29 6.080 -1.701 -0.293 247 2HG1 ILE 29 1HG1 ILE 29 5.520 -0.836 -1.720 248 1HG2 ILE 29 1HG2 ILE 29 4.157 -2.466 1.333 249 2HG2 ILE 29 2HG2 ILE 29 4.841 -3.692 0.266 250 3HG2 ILE 29 3HG2 ILE 29 3.092 -3.537 0.424 251 1HD1 ILE 29 1HD1 ILE 29 5.902 0.181 0.842 252 2HD1 ILE 29 2HD1 ILE 29 4.153 0.100 0.627 253 3HD1 ILE 29 3HD1 ILE 29 5.144 0.990 -0.529 254 H GLU 30 H GLU 30 1.686 -1.955 -3.011 255 HA GLU 30 HA GLU 30 0.060 -4.057 -1.923 256 1HB GLU 30 2HB GLU 30 -0.606 -1.600 -2.395 257 2HB GLU 30 1HB GLU 30 -0.824 -2.131 -4.057 258 1HG GLU 30 2HG GLU 30 -2.139 -3.859 -2.117 259 2HG GLU 30 1HG GLU 30 -2.720 -2.196 -2.081 260 H ASN 31 H ASN 31 1.541 -3.300 -4.999 261 HA ASN 31 HA ASN 31 0.122 -5.188 -6.562 262 1HB ASN 31 2HB ASN 31 2.615 -3.582 -6.902 263 2HB ASN 31 1HB ASN 31 2.351 -4.937 -7.990 264 1HD2 ASN 31 1HD2 ASN 31 -0.137 -2.860 -6.597 265 2HD2 ASN 31 2HD2 ASN 31 -0.650 -2.174 -8.095 266 H GLU 32 H GLU 32 2.911 -5.408 -4.482 267 HA GLU 32 HA GLU 32 3.684 -8.019 -5.446 268 1HB GLU 32 2HB GLU 32 5.317 -6.381 -4.471 269 2HB GLU 32 1HB GLU 32 4.544 -6.612 -2.909 270 1HG GLU 32 2HG GLU 32 6.070 -8.194 -2.580 271 2HG GLU 32 1HG GLU 32 5.090 -9.179 -3.665 272 H ILE 33 H ILE 33 2.091 -6.649 -2.619 273 HA ILE 33 HA ILE 33 1.609 -9.086 -1.271 274 HB ILE 33 HB ILE 33 0.113 -6.455 -1.138 275 1HG1 ILE 33 2HG1 ILE 33 2.130 -7.472 0.846 276 2HG1 ILE 33 1HG1 ILE 33 2.630 -6.572 -0.581 277 1HG2 ILE 33 1HG2 ILE 33 -0.910 -8.717 -0.171 278 2HG2 ILE 33 2HG2 ILE 33 -1.076 -7.178 0.668 279 3HG2 ILE 33 3HG2 ILE 33 0.166 -8.325 1.167 280 1HD1 ILE 33 1HD1 ILE 33 0.720 -5.579 1.520 281 2HD1 ILE 33 2HD1 ILE 33 1.304 -4.674 0.123 282 3HD1 ILE 33 3HD1 ILE 33 2.425 -5.152 1.398 283 H LYS 34 H LYS 34 -0.047 -7.346 -3.826 284 HA LYS 34 HA LYS 34 -2.481 -8.817 -3.703 285 1HB LYS 34 2HB LYS 34 -1.225 -6.871 -5.552 286 2HB LYS 34 1HB LYS 34 -2.427 -7.942 -6.257 287 1HG LYS 34 2HG LYS 34 -3.358 -6.853 -3.754 288 2HG LYS 34 1HG LYS 34 -2.882 -5.572 -4.867 289 1HD LYS 34 2HD LYS 34 -4.395 -6.341 -6.532 290 2HD LYS 34 1HD LYS 34 -4.696 -7.843 -5.654 291 1HE LYS 34 2HE LYS 34 -5.706 -6.518 -3.823 292 2HE LYS 34 1HE LYS 34 -5.487 -5.062 -4.794 293 1HZ LYS 34 1HZ LYS 34 -7.745 -6.217 -4.856 294 2HZ LYS 34 2HZ LYS 34 -6.998 -7.376 -5.835 295 3HZ LYS 34 3HZ LYS 34 -7.059 -5.761 -6.334 296 H ARG 35 H ARG 35 0.422 -9.043 -5.746 297 HA ARG 35 HA ARG 35 -0.482 -11.333 -7.176 298 1HB ARG 35 2HB ARG 35 1.470 -9.573 -7.641 299 2HB ARG 35 1HB ARG 35 2.432 -10.818 -6.853 300 1HG ARG 35 2HG ARG 35 1.090 -12.346 -8.591 301 2HG ARG 35 1HG ARG 35 1.105 -10.826 -9.488 302 1HD ARG 35 2HD ARG 35 3.629 -11.821 -8.244 303 2HD ARG 35 1HD ARG 35 3.061 -12.550 -9.746 304 HE ARG 35 HE ARG 35 4.295 -10.011 -9.450 305 1HH1 ARG 35 1HH1 ARG 35 1.848 -11.688 -11.306 306 2HH1 ARG 35 2HH1 ARG 35 2.011 -10.651 -12.682 307 1HH2 ARG 35 1HH2 ARG 35 4.501 -8.653 -11.263 308 2HH2 ARG 35 2HH2 ARG 35 3.514 -8.931 -12.658 309 H ARG 36 H ARG 36 0.992 -10.852 -4.088 310 HA ARG 36 HA ARG 36 1.965 -13.553 -3.830 311 1HB ARG 36 2HB ARG 36 1.922 -11.109 -2.118 312 2HB ARG 36 1HB ARG 36 2.165 -12.667 -1.345 313 1HG ARG 36 2HG ARG 36 3.958 -12.872 -3.327 314 2HG ARG 36 1HG ARG 36 3.952 -11.121 -3.105 315 1HD ARG 36 2HD ARG 36 5.615 -11.869 -1.648 316 2HD ARG 36 1HD ARG 36 4.212 -11.632 -0.607 317 HE ARG 36 HE ARG 36 4.417 -14.308 -1.601 318 1HH1 ARG 36 1HH1 ARG 36 5.556 -12.124 0.883 319 2HH1 ARG 36 2HH1 ARG 36 5.925 -13.395 1.998 320 1HH2 ARG 36 1HH2 ARG 36 4.906 -15.971 -0.131 321 2HH2 ARG 36 2HH2 ARG 36 5.558 -15.575 1.425 322 H SER 37 H SER 37 -1.106 -12.501 -3.927 323 HA SER 37 HA SER 37 -3.093 -13.289 -3.158 324 1HB SER 37 2HB SER 37 -1.841 -15.491 -3.670 325 2HB SER 37 1HB SER 37 -1.633 -15.617 -1.924 326 HG SER 37 HG SER 37 -3.754 -16.274 -3.363 327 H LEU 38 H LEU 38 -1.549 -11.505 -1.546 328 HA LEU 38 HA LEU 38 -2.520 -12.236 1.146 329 1HB LEU 38 2HB LEU 38 0.042 -12.094 0.617 330 2HB LEU 38 1HB LEU 38 -0.230 -10.368 0.723 331 HG LEU 38 HG LEU 38 -1.238 -10.823 3.024 332 1HD1 LEU 38 1HD1 LEU 38 -1.029 -12.850 4.028 333 2HD1 LEU 38 2HD1 LEU 38 0.394 -13.295 3.087 334 3HD1 LEU 38 3HD1 LEU 38 -1.209 -13.389 2.358 335 1HD2 LEU 38 1HD2 LEU 38 1.681 -11.293 2.450 336 2HD2 LEU 38 2HD2 LEU 38 1.024 -10.985 4.058 337 3HD2 LEU 38 3HD2 LEU 38 0.893 -9.755 2.800 338 H GLY 39 H GLY 39 -3.809 -10.715 -1.095 339 1HA GLY 39 2HA GLY 39 -3.806 -7.943 -0.402 340 2HA GLY 39 1HA GLY 39 -4.970 -8.758 -1.442 341 H HIS 40 H HIS 40 -5.139 -10.587 1.220 342 HA HIS 40 HA HIS 40 -7.472 -9.179 2.176 343 1HB HIS 40 2HB HIS 40 -7.975 -11.152 3.432 344 2HB HIS 40 1HB HIS 40 -7.388 -11.690 1.865 345 HD1 HIS 40 1HD HIS 40 -7.291 -13.014 4.932 346 HD2 HIS 40 2HD HIS 40 -4.176 -11.747 2.492 347 HE1 HIS 40 1HE HIS 40 -5.259 -14.258 5.734 348 HE2 HIS 40 2HE HIS 40 -3.400 -13.525 4.201 349 H ILE 41 H ILE 41 -4.190 -9.817 3.157 350 HA ILE 41 HA ILE 41 -4.359 -9.108 5.866 351 HB ILE 41 HB ILE 41 -2.416 -10.194 4.528 352 1HG1 ILE 41 2HG1 ILE 41 -0.781 -9.460 6.224 353 2HG1 ILE 41 1HG1 ILE 41 -1.873 -8.159 6.689 354 1HG2 ILE 41 1HG2 ILE 41 -1.151 -7.516 4.449 355 2HG2 ILE 41 2HG2 ILE 41 -2.250 -7.948 3.140 356 3HG2 ILE 41 3HG2 ILE 41 -0.841 -8.947 3.468 357 1HD1 ILE 41 1HD1 ILE 41 -1.772 -10.704 7.752 358 2HD1 ILE 41 2HD1 ILE 41 -3.190 -10.731 6.705 359 3HD1 ILE 41 3HD1 ILE 41 -3.058 -9.519 7.980 360 H ILE 42 H ILE 42 -4.087 -7.245 2.938 361 HA ILE 42 HA ILE 42 -3.629 -4.730 4.264 362 HB ILE 42 HB ILE 42 -4.043 -3.770 1.952 363 1HG1 ILE 42 2HG1 ILE 42 -4.011 -6.685 1.153 364 2HG1 ILE 42 1HG1 ILE 42 -5.400 -5.609 1.056 365 1HG2 ILE 42 1HG2 ILE 42 -1.884 -5.847 2.077 366 2HG2 ILE 42 2HG2 ILE 42 -1.814 -4.291 2.904 367 3HG2 ILE 42 3HG2 ILE 42 -1.888 -4.352 1.143 368 1HD1 ILE 42 1HD1 ILE 42 -4.621 -5.600 -1.100 369 2HD1 ILE 42 2HD1 ILE 42 -2.931 -5.682 -0.604 370 3HD1 ILE 42 3HD1 ILE 42 -3.828 -4.174 -0.432 371 H SER 43 H SER 43 -5.119 -2.859 3.800 372 HA SER 43 HA SER 43 -7.805 -3.622 4.550 373 1HB SER 43 2HB SER 43 -6.938 -1.733 5.723 374 2HB SER 43 1HB SER 43 -6.427 -0.951 4.227 375 HG SER 43 HG SER 43 -8.702 -0.632 5.484 376 H VAL 44 H VAL 44 -7.669 -4.728 2.254 377 HA VAL 44 HA VAL 44 -8.931 -2.901 0.321 378 HB VAL 44 HB VAL 44 -7.262 -5.334 -0.330 379 1HG1 VAL 44 1HG1 VAL 44 -8.819 -4.953 -2.072 380 2HG1 VAL 44 2HG1 VAL 44 -7.276 -4.294 -2.616 381 3HG1 VAL 44 3HG1 VAL 44 -8.541 -3.212 -2.032 382 1HG2 VAL 44 1HG2 VAL 44 -5.795 -3.709 0.584 383 2HG2 VAL 44 2HG2 VAL 44 -6.561 -2.411 -0.329 384 3HG2 VAL 44 3HG2 VAL 44 -5.619 -3.643 -1.169 385 H SER 45 H SER 45 -10.456 -3.949 -1.163 386 HA SER 45 HA SER 45 -11.876 -6.151 0.178 387 1HB SER 45 2HB SER 45 -13.258 -4.181 0.019 388 2HB SER 45 1HB SER 45 -12.882 -3.996 -1.695 389 HG SER 45 HG SER 45 -14.315 -6.143 -0.511 390 H SER 46 H SER 46 -10.705 -7.835 -0.744 391 HA SER 46 HA SER 46 -10.544 -8.051 -3.634 392 1HB SER 46 2HB SER 46 -9.794 -10.332 -1.873 393 2HB SER 46 1HB SER 46 -8.979 -9.699 -3.302 394 HG SER 46 HG SER 46 -8.454 -7.837 -1.921 Start of MODEL 2 1 1H MET 1 1HT MET 1 10.976 -2.499 -3.760 2 2H MET 1 2HT MET 1 11.643 -3.259 -5.148 3 3H MET 1 3HT MET 1 12.587 -3.083 -3.725 4 HA MET 1 HA MET 1 11.008 -4.488 -2.551 5 1HB MET 1 2HB MET 1 9.283 -3.905 -4.460 6 2HB MET 1 1HB MET 1 9.973 -5.323 -5.234 7 1HG MET 1 2HG MET 1 8.461 -6.487 -4.099 8 2HG MET 1 1HG MET 1 9.487 -6.217 -2.692 9 1HE MET 1 1HE MET 1 7.873 -2.791 -1.470 10 2HE MET 1 2HE MET 1 9.377 -3.379 -2.179 11 3HE MET 1 3HE MET 1 8.740 -4.128 -0.714 12 H ARG 2 H ARG 2 13.377 -4.993 -2.512 13 HA ARG 2 HA ARG 2 14.348 -6.881 -4.470 14 1HB ARG 2 2HB ARG 2 15.508 -5.702 -1.954 15 2HB ARG 2 1HB ARG 2 16.320 -6.992 -2.829 16 1HG ARG 2 2HG ARG 2 15.967 -5.350 -4.868 17 2HG ARG 2 1HG ARG 2 15.918 -4.150 -3.577 18 1HD ARG 2 2HD ARG 2 18.118 -4.329 -3.171 19 2HD ARG 2 1HD ARG 2 18.096 -6.086 -3.311 20 HE ARG 2 HE ARG 2 17.846 -4.743 -5.833 21 1HH1 ARG 2 1HH1 ARG 2 20.126 -5.910 -3.451 22 2HH1 ARG 2 2HH1 ARG 2 21.422 -6.052 -4.587 23 1HH2 ARG 2 1HH2 ARG 2 19.555 -4.932 -7.320 24 2HH2 ARG 2 2HH2 ARG 2 21.101 -5.498 -6.780 25 H LYS 3 H LYS 3 13.611 -6.973 -0.988 26 HA LYS 3 HA LYS 3 12.424 -9.516 -1.076 27 1HB LYS 3 2HB LYS 3 14.961 -9.984 -1.461 28 2HB LYS 3 1HB LYS 3 15.103 -9.675 0.264 29 1HG LYS 3 2HG LYS 3 14.838 -11.944 0.248 30 2HG LYS 3 1HG LYS 3 13.164 -11.420 0.434 31 1HD LYS 3 2HD LYS 3 12.764 -12.771 -1.315 32 2HD LYS 3 1HD LYS 3 13.432 -11.453 -2.280 33 1HE LYS 3 2HE LYS 3 14.846 -13.020 -3.044 34 2HE LYS 3 1HE LYS 3 15.693 -12.756 -1.519 35 1HZ LYS 3 1HZ LYS 3 15.056 -15.141 -2.217 36 2HZ LYS 3 2HZ LYS 3 13.510 -14.728 -1.668 37 3HZ LYS 3 3HZ LYS 3 14.827 -14.670 -0.607 38 H LEU 4 H LEU 4 11.281 -9.853 0.751 39 HA LEU 4 HA LEU 4 12.032 -9.078 3.337 40 1HB LEU 4 2HB LEU 4 10.074 -7.291 3.446 41 2HB LEU 4 1HB LEU 4 11.727 -6.846 3.082 42 HG LEU 4 HG LEU 4 11.240 -6.669 0.731 43 1HD1 LEU 4 1HD1 LEU 4 8.695 -6.924 0.140 44 2HD1 LEU 4 2HD1 LEU 4 8.713 -8.038 1.506 45 3HD1 LEU 4 3HD1 LEU 4 9.774 -8.319 0.126 46 1HD2 LEU 4 1HD2 LEU 4 10.351 -4.945 2.588 47 2HD2 LEU 4 2HD2 LEU 4 8.830 -5.330 1.784 48 3HD2 LEU 4 3HD2 LEU 4 10.178 -4.680 0.853 49 H SER 5 H SER 5 10.536 -9.714 4.906 50 HA SER 5 HA SER 5 8.716 -11.746 4.097 51 1HB SER 5 2HB SER 5 9.904 -11.898 6.226 52 2HB SER 5 1HB SER 5 9.112 -10.427 6.792 53 HG SER 5 HG SER 5 7.840 -12.878 6.131 54 H ASP 6 H ASP 6 6.412 -11.800 4.801 55 HA ASP 6 HA ASP 6 4.973 -9.686 3.649 56 1HB ASP 6 2HB ASP 6 3.620 -11.374 5.723 57 2HB ASP 6 1HB ASP 6 3.025 -10.810 4.173 58 H GLU 7 H GLU 7 6.239 -10.103 6.838 59 HA GLU 7 HA GLU 7 4.538 -8.194 8.116 60 1HB GLU 7 2HB GLU 7 6.791 -9.892 8.854 61 2HB GLU 7 1HB GLU 7 6.887 -8.306 9.606 62 1HG GLU 7 2HG GLU 7 5.744 -9.921 11.028 63 2HG GLU 7 1HG GLU 7 4.681 -8.594 10.563 64 H LEU 8 H LEU 8 7.651 -8.123 6.520 65 HA LEU 8 HA LEU 8 8.141 -5.352 7.149 66 1HB LEU 8 2HB LEU 8 9.539 -7.457 5.573 67 2HB LEU 8 1HB LEU 8 9.939 -5.773 5.277 68 HG LEU 8 HG LEU 8 11.465 -6.833 6.880 69 1HD1 LEU 8 1HD1 LEU 8 11.538 -5.054 8.414 70 2HD1 LEU 8 2HD1 LEU 8 9.798 -4.791 8.310 71 3HD1 LEU 8 3HD1 LEU 8 10.834 -4.384 6.943 72 1HD2 LEU 8 1HD2 LEU 8 9.818 -8.398 7.854 73 2HD2 LEU 8 2HD2 LEU 8 9.063 -7.037 8.682 74 3HD2 LEU 8 3HD2 LEU 8 10.721 -7.496 9.072 75 H LEU 9 H LEU 9 6.852 -7.234 4.501 76 HA LEU 9 HA LEU 9 6.797 -5.092 2.610 77 1HB LEU 9 2HB LEU 9 6.864 -7.375 1.830 78 2HB LEU 9 1HB LEU 9 5.391 -7.757 2.697 79 HG LEU 9 HG LEU 9 4.268 -6.008 1.174 80 1HD1 LEU 9 1HD1 LEU 9 6.530 -5.171 0.369 81 2HD1 LEU 9 2HD1 LEU 9 5.301 -5.462 -0.862 82 3HD1 LEU 9 3HD1 LEU 9 6.596 -6.633 -0.616 83 1HD2 LEU 9 1HD2 LEU 9 4.076 -7.708 -0.669 84 2HD2 LEU 9 2HD2 LEU 9 3.730 -8.313 0.950 85 3HD2 LEU 9 3HD2 LEU 9 5.281 -8.669 0.189 86 H ILE 10 H ILE 10 4.381 -6.643 4.679 87 HA ILE 10 HA ILE 10 2.265 -4.958 3.857 88 HB ILE 10 HB ILE 10 2.547 -6.639 6.342 89 1HG1 ILE 10 2HG1 ILE 10 0.838 -7.209 3.941 90 2HG1 ILE 10 1HG1 ILE 10 2.545 -7.641 3.950 91 1HG2 ILE 10 1HG2 ILE 10 0.888 -4.853 6.666 92 2HG2 ILE 10 2HG2 ILE 10 0.131 -6.443 6.585 93 3HG2 ILE 10 3HG2 ILE 10 0.063 -5.364 5.193 94 1HD1 ILE 10 1HD1 ILE 10 2.208 -9.384 5.282 95 2HD1 ILE 10 2HD1 ILE 10 0.521 -9.213 4.815 96 3HD1 ILE 10 3HD1 ILE 10 1.091 -8.501 6.320 97 H GLU 11 H GLU 11 4.671 -4.779 6.390 98 HA GLU 11 HA GLU 11 3.549 -2.654 7.861 99 1HB GLU 11 2HB GLU 11 6.244 -3.865 7.586 100 2HB GLU 11 1HB GLU 11 6.171 -2.249 8.261 101 1HG GLU 11 2HG GLU 11 4.654 -3.032 9.998 102 2HG GLU 11 1HG GLU 11 4.698 -4.654 9.312 103 H SER 12 H SER 12 5.303 -2.787 4.854 104 HA SER 12 HA SER 12 5.971 -0.004 4.769 105 1HB SER 12 2HB SER 12 6.929 -2.072 3.399 106 2HB SER 12 1HB SER 12 5.663 -1.609 2.263 107 HG SER 12 HG SER 12 7.904 -0.600 2.148 108 H TYR 13 H TYR 13 3.420 -2.030 3.381 109 HA TYR 13 HA TYR 13 2.078 0.041 1.999 110 1HB TYR 13 2HB TYR 13 1.719 -2.393 1.593 111 2HB TYR 13 1HB TYR 13 0.901 -2.502 3.145 112 HD1 TYR 13 1HD TYR 13 0.730 -0.677 -0.105 113 HD2 TYR 13 2HD TYR 13 -1.398 -2.201 3.249 114 HE1 TYR 13 1HE TYR 13 -1.396 -0.069 -1.184 115 HE2 TYR 13 2HE TYR 13 -3.529 -1.598 2.179 116 HH TYR 13 HH TYR 13 -4.034 0.429 0.099 117 H PHE 14 H PHE 14 1.865 -1.249 5.254 118 HA PHE 14 HA PHE 14 -0.410 0.294 6.020 119 1HB PHE 14 2HB PHE 14 1.645 -1.257 7.572 120 2HB PHE 14 1HB PHE 14 0.328 -0.411 8.356 121 HD1 PHE 14 1HD PHE 14 -1.020 -1.530 5.355 122 HD2 PHE 14 2HD PHE 14 0.318 -3.007 9.120 123 HE1 PHE 14 1HE PHE 14 -2.432 -3.519 5.073 124 HE2 PHE 14 2HE PHE 14 -1.097 -5.000 8.840 125 HZ PHE 14 HZ PHE 14 -2.473 -5.265 6.811 126 H LYS 15 H LYS 15 3.077 0.582 6.526 127 HA LYS 15 HA LYS 15 2.990 2.942 8.070 128 1HB LYS 15 2HB LYS 15 5.123 1.591 6.445 129 2HB LYS 15 1HB LYS 15 5.419 3.154 7.185 130 1HG LYS 15 2HG LYS 15 4.560 0.691 8.686 131 2HG LYS 15 1HG LYS 15 6.225 1.252 8.537 132 1HD LYS 15 2HD LYS 15 5.950 2.787 10.137 133 2HD LYS 15 1HD LYS 15 4.436 3.360 9.434 134 1HE LYS 15 2HE LYS 15 3.157 1.983 10.727 135 2HE LYS 15 1HE LYS 15 4.404 0.741 10.830 136 1HZ LYS 15 1HZ LYS 15 4.145 3.228 12.402 137 2HZ LYS 15 2HZ LYS 15 5.636 2.443 12.261 138 3HZ LYS 15 3HZ LYS 15 4.321 1.637 12.954 139 H ALA 16 H ALA 16 3.431 2.364 4.606 140 HA ALA 16 HA ALA 16 3.826 5.050 3.873 141 1HB ALA 16 1HB ALA 16 2.974 2.613 2.354 142 2HB ALA 16 2HB ALA 16 4.511 3.476 2.295 143 3HB ALA 16 3HB ALA 16 3.067 4.194 1.578 144 H THR 17 H THR 17 0.900 3.128 4.265 145 HA THR 17 HA THR 17 -0.850 5.005 3.057 146 HB THR 17 HB THR 17 -2.617 3.777 4.420 147 HG1 THR 17 1HG THR 17 -1.206 3.077 6.087 148 1HG2 THR 17 1HG2 THR 17 -1.870 1.466 3.283 149 2HG2 THR 17 2HG2 THR 17 -0.879 2.601 2.365 150 3HG2 THR 17 3HG2 THR 17 -2.632 2.794 2.406 151 H GLU 18 H GLU 18 0.475 4.640 6.272 152 HA GLU 18 HA GLU 18 -1.278 6.534 7.502 153 1HB GLU 18 2HB GLU 18 0.957 4.833 8.314 154 2HB GLU 18 1HB GLU 18 0.919 6.379 9.150 155 1HG GLU 18 2HG GLU 18 -0.761 5.733 10.439 156 2HG GLU 18 1HG GLU 18 -1.708 5.203 9.051 157 H MET 19 H MET 19 2.084 6.645 6.394 158 HA MET 19 HA MET 19 2.340 9.436 7.040 159 1HB MET 19 2HB MET 19 4.576 9.235 6.204 160 2HB MET 19 1HB MET 19 4.225 7.831 7.191 161 1HG MET 19 2HG MET 19 3.930 6.472 5.243 162 2HG MET 19 1HG MET 19 4.087 7.873 4.189 163 1HE MET 19 1HE MET 19 5.765 4.958 4.290 164 2HE MET 19 2HE MET 19 5.816 5.049 6.050 165 3HE MET 19 3HE MET 19 7.316 5.075 5.121 166 H ASN 20 H ASN 20 1.113 7.705 4.383 167 HA ASN 20 HA ASN 20 0.213 8.410 2.415 168 1HB ASN 20 2HB ASN 20 1.246 11.189 2.941 169 2HB ASN 20 1HB ASN 20 -0.105 10.708 1.922 170 1HD2 ASN 20 1HD2 ASN 20 0.594 12.196 4.686 171 2HD2 ASN 20 2HD2 ASN 20 -0.812 11.822 5.617 172 H LEU 21 H LEU 21 2.759 7.292 2.649 173 HA LEU 21 HA LEU 21 4.832 8.552 1.292 174 1HB LEU 21 2HB LEU 21 4.662 6.249 2.537 175 2HB LEU 21 1HB LEU 21 4.309 5.624 0.940 176 HG LEU 21 HG LEU 21 6.770 7.267 1.418 177 1HD1 LEU 21 1HD1 LEU 21 7.722 4.745 1.515 178 2HD1 LEU 21 2HD1 LEU 21 6.205 4.554 2.395 179 3HD1 LEU 21 3HD1 LEU 21 7.396 5.737 2.935 180 1HD2 LEU 21 1HD2 LEU 21 5.613 5.844 -0.788 181 2HD2 LEU 21 2HD2 LEU 21 7.172 5.129 -0.380 182 3HD2 LEU 21 3HD2 LEU 21 7.061 6.848 -0.748 183 H ASN 22 H ASN 22 5.615 8.210 -0.906 184 HA ASN 22 HA ASN 22 3.996 8.997 -2.921 185 1HB ASN 22 2HB ASN 22 6.458 8.791 -3.078 186 2HB ASN 22 1HB ASN 22 6.282 7.048 -3.257 187 1HD2 ASN 22 1HD2 ASN 22 7.518 7.578 -5.241 188 2HD2 ASN 22 2HD2 ASN 22 6.622 7.987 -6.660 189 H ARG 23 H ARG 23 2.497 8.192 -4.260 190 HA ARG 23 HA ARG 23 1.081 5.887 -3.679 191 1HB ARG 23 2HB ARG 23 0.490 7.943 -5.172 192 2HB ARG 23 1HB ARG 23 1.144 6.959 -6.473 193 1HG ARG 23 2HG ARG 23 -0.593 5.508 -6.441 194 2HG ARG 23 1HG ARG 23 -0.846 5.678 -4.702 195 1HD ARG 23 2HD ARG 23 -2.638 6.891 -5.283 196 2HD ARG 23 1HD ARG 23 -1.474 8.175 -5.606 197 HE ARG 23 HE ARG 23 -1.970 7.983 -7.820 198 1HH1 ARG 23 1HH1 ARG 23 -2.908 5.001 -6.249 199 2HH1 ARG 23 2HH1 ARG 23 -3.626 4.335 -7.678 200 1HH2 ARG 23 1HH2 ARG 23 -2.913 7.100 -9.690 201 2HH2 ARG 23 2HH2 ARG 23 -3.628 5.524 -9.627 202 H ASP 24 H ASP 24 3.895 6.271 -5.703 203 HA ASP 24 HA ASP 24 3.628 3.855 -7.139 204 1HB ASP 24 2HB ASP 24 5.844 5.777 -6.610 205 2HB ASP 24 1HB ASP 24 6.278 4.176 -7.201 206 H PHE 25 H PHE 25 5.041 4.637 -4.022 207 HA PHE 25 HA PHE 25 6.218 2.053 -3.640 208 1HB PHE 25 2HB PHE 25 6.789 4.342 -2.481 209 2HB PHE 25 1HB PHE 25 5.508 3.879 -1.367 210 HD1 PHE 25 1HD PHE 25 6.524 3.284 0.617 211 HD2 PHE 25 2HD PHE 25 8.130 1.843 -3.051 212 HE1 PHE 25 1HE PHE 25 8.122 1.893 1.867 213 HE2 PHE 25 2HE PHE 25 9.729 0.447 -1.807 214 HZ PHE 25 HZ PHE 25 9.727 0.471 0.656 215 H ILE 26 H ILE 26 3.276 3.705 -2.638 216 HA ILE 26 HA ILE 26 2.216 1.672 -1.011 217 HB ILE 26 HB ILE 26 0.817 3.814 -2.625 218 1HG1 ILE 26 2HG1 ILE 26 1.630 3.664 0.287 219 2HG1 ILE 26 1HG1 ILE 26 2.338 4.704 -0.945 220 1HG2 ILE 26 1HG2 ILE 26 -0.765 2.038 -2.132 221 2HG2 ILE 26 2HG2 ILE 26 -1.115 3.444 -1.127 222 3HG2 ILE 26 3HG2 ILE 26 -0.288 2.049 -0.434 223 1HD1 ILE 26 1HD1 ILE 26 0.928 6.095 0.283 224 2HD1 ILE 26 2HD1 ILE 26 -0.361 4.892 0.338 225 3HD1 ILE 26 3HD1 ILE 26 0.011 5.718 -1.175 226 H GLU 27 H GLU 27 1.760 2.413 -4.463 227 HA GLU 27 HA GLU 27 0.037 0.201 -4.930 228 1HB GLU 27 2HB GLU 27 0.699 2.436 -6.350 229 2HB GLU 27 1HB GLU 27 1.599 1.205 -7.220 230 1HG GLU 27 2HG GLU 27 -0.816 -0.001 -6.951 231 2HG GLU 27 1HG GLU 27 -1.283 1.695 -7.085 232 H LEU 28 H LEU 28 3.486 0.687 -5.001 233 HA LEU 28 HA LEU 28 4.161 -1.695 -6.378 234 1HB LEU 28 2HB LEU 28 5.841 -0.080 -6.359 235 2HB LEU 28 1HB LEU 28 5.620 0.277 -4.660 236 HG LEU 28 HG LEU 28 6.723 -2.389 -5.451 237 1HD1 LEU 28 1HD1 LEU 28 7.995 -0.688 -6.724 238 2HD1 LEU 28 2HD1 LEU 28 8.964 -1.508 -5.499 239 3HD1 LEU 28 3HD1 LEU 28 8.367 0.125 -5.204 240 1HD2 LEU 28 1HD2 LEU 28 6.387 -2.306 -3.171 241 2HD2 LEU 28 2HD2 LEU 28 6.758 -0.584 -3.074 242 3HD2 LEU 28 3HD2 LEU 28 8.057 -1.754 -3.299 243 H ILE 29 H ILE 29 3.965 -0.861 -2.931 244 HA ILE 29 HA ILE 29 4.672 -3.460 -2.020 245 HB ILE 29 HB ILE 29 3.107 -1.340 -0.538 246 1HG1 ILE 29 2HG1 ILE 29 6.026 -1.788 -0.120 247 2HG1 ILE 29 1HG1 ILE 29 5.526 -0.874 -1.538 248 1HG2 ILE 29 1HG2 ILE 29 3.709 -2.459 1.454 249 2HG2 ILE 29 2HG2 ILE 29 4.840 -3.513 0.608 250 3HG2 ILE 29 3HG2 ILE 29 3.104 -3.701 0.360 251 1HD1 ILE 29 1HD1 ILE 29 6.096 0.462 0.515 252 2HD1 ILE 29 2HD1 ILE 29 4.622 -0.184 1.238 253 3HD1 ILE 29 3HD1 ILE 29 4.529 0.805 -0.218 254 H GLU 30 H GLU 30 1.686 -1.882 -2.920 255 HA GLU 30 HA GLU 30 -0.022 -3.941 -1.874 256 1HB GLU 30 2HB GLU 30 -0.564 -1.434 -2.403 257 2HB GLU 30 1HB GLU 30 -0.861 -2.031 -4.030 258 1HG GLU 30 2HG GLU 30 -2.383 -3.760 -2.827 259 2HG GLU 30 1HG GLU 30 -2.343 -2.593 -1.505 260 H ASN 31 H ASN 31 1.556 -3.218 -4.908 261 HA ASN 31 HA ASN 31 0.114 -5.073 -6.501 262 1HB ASN 31 2HB ASN 31 2.647 -3.512 -6.802 263 2HB ASN 31 1HB ASN 31 2.334 -4.834 -7.922 264 1HD2 ASN 31 1HD2 ASN 31 2.115 -3.470 -9.676 265 2HD2 ASN 31 2HD2 ASN 31 0.746 -2.438 -9.887 266 H GLU 32 H GLU 32 2.855 -5.339 -4.365 267 HA GLU 32 HA GLU 32 3.634 -7.943 -5.342 268 1HB GLU 32 2HB GLU 32 5.305 -6.414 -4.365 269 2HB GLU 32 1HB GLU 32 4.453 -6.467 -2.829 270 1HG GLU 32 2HG GLU 32 6.211 -7.947 -2.536 271 2HG GLU 32 1HG GLU 32 4.846 -8.995 -2.916 272 H ILE 33 H ILE 33 1.984 -6.593 -2.537 273 HA ILE 33 HA ILE 33 1.471 -9.041 -1.222 274 HB ILE 33 HB ILE 33 -0.041 -6.421 -1.097 275 1HG1 ILE 33 2HG1 ILE 33 1.940 -7.426 0.926 276 2HG1 ILE 33 1HG1 ILE 33 2.473 -6.532 -0.494 277 1HG2 ILE 33 1HG2 ILE 33 -0.018 -8.248 1.226 278 2HG2 ILE 33 2HG2 ILE 33 -1.005 -8.746 -0.144 279 3HG2 ILE 33 3HG2 ILE 33 -1.294 -7.190 0.628 280 1HD1 ILE 33 1HD1 ILE 33 2.214 -5.107 1.480 281 2HD1 ILE 33 2HD1 ILE 33 0.504 -5.528 1.547 282 3HD1 ILE 33 3HD1 ILE 33 1.137 -4.630 0.168 283 H LYS 34 H LYS 34 -0.139 -7.275 -3.791 284 HA LYS 34 HA LYS 34 -2.574 -8.747 -3.728 285 1HB LYS 34 2HB LYS 34 -1.294 -6.764 -5.502 286 2HB LYS 34 1HB LYS 34 -2.399 -7.868 -6.306 287 1HG LYS 34 2HG LYS 34 -4.157 -7.240 -4.700 288 2HG LYS 34 1HG LYS 34 -3.043 -6.080 -3.970 289 1HD LYS 34 2HD LYS 34 -2.827 -5.151 -6.382 290 2HD LYS 34 1HD LYS 34 -4.330 -6.028 -6.674 291 1HE LYS 34 2HE LYS 34 -5.436 -4.798 -4.915 292 2HE LYS 34 1HE LYS 34 -3.926 -3.998 -4.482 293 1HZ LYS 34 1HZ LYS 34 -5.343 -3.712 -7.077 294 2HZ LYS 34 2HZ LYS 34 -3.905 -2.931 -6.645 295 3HZ LYS 34 3HZ LYS 34 -5.341 -2.572 -5.826 296 H ARG 35 H ARG 35 0.385 -8.976 -5.678 297 HA ARG 35 HA ARG 35 -0.475 -11.264 -7.144 298 1HB ARG 35 2HB ARG 35 1.483 -9.476 -7.536 299 2HB ARG 35 1HB ARG 35 2.427 -10.747 -6.771 300 1HG ARG 35 2HG ARG 35 2.558 -11.800 -8.710 301 2HG ARG 35 1HG ARG 35 0.805 -11.997 -8.709 302 1HD ARG 35 2HD ARG 35 1.568 -10.915 -10.758 303 2HD ARG 35 1HD ARG 35 0.557 -9.829 -9.805 304 HE ARG 35 HE ARG 35 3.367 -9.524 -9.299 305 1HH1 ARG 35 1HH1 ARG 35 0.720 -8.545 -11.365 306 2HH1 ARG 35 2HH1 ARG 35 1.479 -7.062 -11.836 307 1HH2 ARG 35 1HH2 ARG 35 4.356 -7.574 -9.921 308 2HH2 ARG 35 2HH2 ARG 35 3.540 -6.511 -11.018 309 H ARG 36 H ARG 36 0.976 -10.777 -4.039 310 HA ARG 36 HA ARG 36 1.958 -13.469 -3.774 311 1HB ARG 36 2HB ARG 36 1.862 -11.039 -2.048 312 2HB ARG 36 1HB ARG 36 2.097 -12.599 -1.277 313 1HG ARG 36 2HG ARG 36 3.916 -12.722 -3.293 314 2HG ARG 36 1HG ARG 36 3.931 -11.000 -2.907 315 1HD ARG 36 2HD ARG 36 5.575 -11.968 -1.528 316 2HD ARG 36 1HD ARG 36 4.183 -11.693 -0.481 317 HE ARG 36 HE ARG 36 3.810 -14.232 -1.289 318 1HH1 ARG 36 1HH1 ARG 36 6.587 -12.598 0.075 319 2HH1 ARG 36 2HH1 ARG 36 7.202 -14.024 0.837 320 1HH2 ARG 36 1HH2 ARG 36 4.625 -16.100 -0.284 321 2HH2 ARG 36 2HH2 ARG 36 6.092 -16.010 0.635 322 H SER 37 H SER 37 -1.129 -12.418 -3.889 323 HA SER 37 HA SER 37 -3.120 -13.235 -3.161 324 1HB SER 37 2HB SER 37 -1.788 -15.423 -3.679 325 2HB SER 37 1HB SER 37 -1.721 -15.590 -1.925 326 HG SER 37 HG SER 37 -3.545 -16.643 -2.811 327 H LEU 38 H LEU 38 -1.607 -11.478 -1.504 328 HA LEU 38 HA LEU 38 -2.576 -12.272 1.171 329 1HB LEU 38 2HB LEU 38 -0.013 -12.078 0.633 330 2HB LEU 38 1HB LEU 38 -0.317 -10.359 0.792 331 HG LEU 38 HG LEU 38 -1.293 -10.872 3.075 332 1HD1 LEU 38 1HD1 LEU 38 0.067 -13.509 2.550 333 2HD1 LEU 38 2HD1 LEU 38 -1.663 -13.249 2.780 334 3HD1 LEU 38 3HD1 LEU 38 -0.543 -12.966 4.113 335 1HD2 LEU 38 1HD2 LEU 38 0.939 -11.044 4.111 336 2HD2 LEU 38 2HD2 LEU 38 0.878 -9.850 2.815 337 3HD2 LEU 38 3HD2 LEU 38 1.618 -11.424 2.528 338 H GLY 39 H GLY 39 -3.895 -10.744 -1.034 339 1HA GLY 39 2HA GLY 39 -3.914 -7.978 -0.332 340 2HA GLY 39 1HA GLY 39 -5.081 -8.801 -1.357 341 H HIS 40 H HIS 40 -5.203 -10.629 1.314 342 HA HIS 40 HA HIS 40 -7.541 -9.233 2.290 343 1HB HIS 40 2HB HIS 40 -7.761 -11.242 3.792 344 2HB HIS 40 1HB HIS 40 -7.753 -11.623 2.073 345 HD1 HIS 40 1HD HIS 40 -6.082 -13.311 1.315 346 HD2 HIS 40 2HD HIS 40 -5.198 -11.803 5.084 347 HE1 HIS 40 1HE HIS 40 -4.148 -14.684 2.151 348 HE2 HIS 40 2HE HIS 40 -3.570 -13.691 4.393 349 H ILE 41 H ILE 41 -4.255 -9.909 3.245 350 HA ILE 41 HA ILE 41 -4.375 -9.211 5.954 351 HB ILE 41 HB ILE 41 -2.454 -10.268 4.559 352 1HG1 ILE 41 2HG1 ILE 41 -0.792 -9.579 6.232 353 2HG1 ILE 41 1HG1 ILE 41 -1.849 -8.261 6.731 354 1HG2 ILE 41 1HG2 ILE 41 -0.909 -8.993 3.486 355 2HG2 ILE 41 2HG2 ILE 41 -1.206 -7.581 4.498 356 3HG2 ILE 41 3HG2 ILE 41 -2.335 -7.996 3.210 357 1HD1 ILE 41 1HD1 ILE 41 -3.196 -10.824 6.757 358 2HD1 ILE 41 2HD1 ILE 41 -3.048 -9.609 8.027 359 3HD1 ILE 41 3HD1 ILE 41 -1.768 -10.799 7.791 360 H ILE 42 H ILE 42 -4.206 -7.327 3.038 361 HA ILE 42 HA ILE 42 -3.762 -4.813 4.388 362 HB ILE 42 HB ILE 42 -4.140 -3.845 2.080 363 1HG1 ILE 42 2HG1 ILE 42 -4.081 -6.751 1.252 364 2HG1 ILE 42 1HG1 ILE 42 -5.483 -5.689 1.163 365 1HG2 ILE 42 1HG2 ILE 42 -1.976 -4.480 1.263 366 2HG2 ILE 42 2HG2 ILE 42 -1.978 -5.915 2.287 367 3HG2 ILE 42 3HG2 ILE 42 -1.924 -4.310 3.018 368 1HD1 ILE 42 1HD1 ILE 42 -4.792 -5.441 -0.955 369 2HD1 ILE 42 2HD1 ILE 42 -3.126 -5.879 -0.578 370 3HD1 ILE 42 3HD1 ILE 42 -3.707 -4.248 -0.241 371 H SER 43 H SER 43 -5.256 -2.999 4.155 372 HA SER 43 HA SER 43 -7.959 -3.830 4.700 373 1HB SER 43 2HB SER 43 -6.796 -1.958 5.927 374 2HB SER 43 1HB SER 43 -6.909 -1.002 4.449 375 HG SER 43 HG SER 43 -9.234 -1.404 4.591 376 H VAL 44 H VAL 44 -7.828 -4.765 2.367 377 HA VAL 44 HA VAL 44 -8.964 -2.774 0.518 378 HB VAL 44 HB VAL 44 -7.398 -5.236 -0.259 379 1HG1 VAL 44 1HG1 VAL 44 -8.871 -4.652 -2.011 380 2HG1 VAL 44 2HG1 VAL 44 -7.290 -4.015 -2.461 381 3HG1 VAL 44 3HG1 VAL 44 -8.527 -2.932 -1.823 382 1HG2 VAL 44 1HG2 VAL 44 -5.641 -3.585 -0.929 383 2HG2 VAL 44 2HG2 VAL 44 -5.872 -3.764 0.810 384 3HG2 VAL 44 3HG2 VAL 44 -6.538 -2.366 -0.028 385 H SER 45 H SER 45 -10.491 -3.650 -1.061 386 HA SER 45 HA SER 45 -11.960 -5.970 0.013 387 1HB SER 45 2HB SER 45 -14.015 -4.956 -0.783 388 2HB SER 45 1HB SER 45 -13.161 -3.794 0.231 389 HG SER 45 HG SER 45 -14.045 -3.269 -2.076 390 H SER 46 H SER 46 -10.896 -7.478 -1.274 391 HA SER 46 HA SER 46 -11.047 -7.153 -4.174 392 1HB SER 46 2HB SER 46 -8.977 -8.016 -2.801 393 2HB SER 46 1HB SER 46 -9.836 -9.555 -2.853 394 HG SER 46 HG SER 46 -9.364 -9.739 -4.896 Start of MODEL 3 1 1H MET 1 1HT MET 1 12.087 -3.603 -0.888 2 2H MET 1 2HT MET 1 13.577 -4.236 -1.457 3 3H MET 1 3HT MET 1 12.366 -5.294 -0.858 4 HA MET 1 HA MET 1 10.907 -4.460 -2.653 5 1HB MET 1 2HB MET 1 13.431 -3.006 -3.151 6 2HB MET 1 1HB MET 1 12.674 -3.701 -4.579 7 1HG MET 1 2HG MET 1 11.880 -1.490 -4.392 8 2HG MET 1 1HG MET 1 10.558 -2.547 -3.902 9 1HE MET 1 1HE MET 1 9.397 -2.552 -2.189 10 2HE MET 1 2HE MET 1 9.216 -1.124 -1.171 11 3HE MET 1 3HE MET 1 10.063 -2.543 -0.556 12 H ARG 2 H ARG 2 14.216 -5.715 -2.633 13 HA ARG 2 HA ARG 2 13.873 -7.518 -4.789 14 1HB ARG 2 2HB ARG 2 15.829 -7.728 -2.494 15 2HB ARG 2 1HB ARG 2 15.964 -8.513 -4.062 16 1HG ARG 2 2HG ARG 2 15.714 -5.583 -4.133 17 2HG ARG 2 1HG ARG 2 17.196 -6.210 -3.409 18 1HD ARG 2 2HD ARG 2 17.671 -7.495 -5.400 19 2HD ARG 2 1HD ARG 2 16.136 -7.007 -6.118 20 HE ARG 2 HE ARG 2 17.348 -4.646 -5.656 21 1HH1 ARG 2 1HH1 ARG 2 18.432 -7.567 -7.248 22 2HH1 ARG 2 2HH1 ARG 2 19.491 -6.726 -8.329 23 1HH2 ARG 2 1HH2 ARG 2 18.742 -3.550 -7.079 24 2HH2 ARG 2 2HH2 ARG 2 19.668 -4.451 -8.234 25 H LYS 3 H LYS 3 13.834 -8.012 -1.263 26 HA LYS 3 HA LYS 3 11.799 -10.000 -1.438 27 1HB LYS 3 2HB LYS 3 13.948 -11.198 -2.167 28 2HB LYS 3 1HB LYS 3 14.467 -11.034 -0.495 29 1HG LYS 3 2HG LYS 3 13.534 -13.200 -0.748 30 2HG LYS 3 1HG LYS 3 12.386 -12.237 0.184 31 1HD LYS 3 2HD LYS 3 10.871 -12.118 -1.552 32 2HD LYS 3 1HD LYS 3 12.108 -12.379 -2.785 33 1HE LYS 3 2HE LYS 3 12.338 -14.723 -1.916 34 2HE LYS 3 1HE LYS 3 10.924 -14.416 -0.908 35 1HZ LYS 3 1HZ LYS 3 11.029 -14.345 -3.875 36 2HZ LYS 3 2HZ LYS 3 9.677 -13.916 -2.955 37 3HZ LYS 3 3HZ LYS 3 10.253 -15.506 -2.919 38 H LEU 4 H LEU 4 10.635 -9.334 0.247 39 HA LEU 4 HA LEU 4 11.971 -9.111 2.853 40 1HB LEU 4 2HB LEU 4 9.742 -7.242 2.145 41 2HB LEU 4 1HB LEU 4 10.954 -7.088 3.401 42 HG LEU 4 HG LEU 4 11.507 -6.811 0.444 43 1HD1 LEU 4 1HD1 LEU 4 11.158 -4.593 0.574 44 2HD1 LEU 4 2HD1 LEU 4 11.743 -4.488 2.235 45 3HD1 LEU 4 3HD1 LEU 4 10.098 -5.039 1.912 46 1HD2 LEU 4 1HD2 LEU 4 13.687 -6.525 0.939 47 2HD2 LEU 4 2HD2 LEU 4 13.281 -7.483 2.363 48 3HD2 LEU 4 3HD2 LEU 4 13.346 -5.723 2.472 49 H SER 5 H SER 5 10.679 -9.609 4.658 50 HA SER 5 HA SER 5 8.804 -11.664 4.299 51 1HB SER 5 2HB SER 5 8.758 -10.056 6.810 52 2HB SER 5 1HB SER 5 8.738 -11.806 6.598 53 HG SER 5 HG SER 5 10.740 -11.161 7.398 54 H ASP 6 H ASP 6 6.541 -11.719 4.758 55 HA ASP 6 HA ASP 6 5.083 -9.633 3.550 56 1HB ASP 6 2HB ASP 6 3.644 -11.379 5.503 57 2HB ASP 6 1HB ASP 6 3.171 -10.859 3.895 58 H GLU 7 H GLU 7 6.047 -10.224 6.843 59 HA GLU 7 HA GLU 7 4.271 -8.411 8.082 60 1HB GLU 7 2HB GLU 7 6.691 -9.905 8.844 61 2HB GLU 7 1HB GLU 7 6.461 -8.398 9.721 62 1HG GLU 7 2HG GLU 7 4.915 -9.314 11.007 63 2HG GLU 7 1HG GLU 7 3.986 -9.835 9.603 64 H LEU 8 H LEU 8 7.507 -8.070 6.739 65 HA LEU 8 HA LEU 8 7.651 -5.271 7.436 66 1HB LEU 8 2HB LEU 8 9.425 -7.196 6.014 67 2HB LEU 8 1HB LEU 8 9.673 -5.479 5.756 68 HG LEU 8 HG LEU 8 9.681 -5.376 8.373 69 1HD1 LEU 8 1HD1 LEU 8 9.045 -7.852 8.443 70 2HD1 LEU 8 2HD1 LEU 8 10.334 -7.300 9.513 71 3HD1 LEU 8 3HD1 LEU 8 10.730 -8.159 8.024 72 1HD2 LEU 8 1HD2 LEU 8 11.950 -6.431 6.699 73 2HD2 LEU 8 2HD2 LEU 8 12.126 -5.796 8.334 74 3HD2 LEU 8 3HD2 LEU 8 11.564 -4.743 7.036 75 H LEU 9 H LEU 9 6.949 -7.217 4.596 76 HA LEU 9 HA LEU 9 6.870 -5.119 2.712 77 1HB LEU 9 2HB LEU 9 6.981 -7.399 1.957 78 2HB LEU 9 1HB LEU 9 5.500 -7.804 2.800 79 HG LEU 9 HG LEU 9 4.392 -6.077 1.209 80 1HD1 LEU 9 1HD1 LEU 9 6.997 -6.630 -0.189 81 2HD1 LEU 9 2HD1 LEU 9 6.309 -5.066 0.247 82 3HD1 LEU 9 3HD1 LEU 9 5.555 -6.040 -1.014 83 1HD2 LEU 9 1HD2 LEU 9 4.104 -7.831 -0.509 84 2HD2 LEU 9 2HD2 LEU 9 3.905 -8.440 1.134 85 3HD2 LEU 9 3HD2 LEU 9 5.400 -8.754 0.252 86 H ILE 10 H ILE 10 4.412 -6.598 4.760 87 HA ILE 10 HA ILE 10 2.319 -4.913 3.827 88 HB ILE 10 HB ILE 10 2.485 -6.634 6.299 89 1HG1 ILE 10 2HG1 ILE 10 0.822 -7.212 3.884 90 2HG1 ILE 10 1HG1 ILE 10 2.552 -7.533 3.820 91 1HG2 ILE 10 1HG2 ILE 10 0.814 -4.947 6.679 92 2HG2 ILE 10 2HG2 ILE 10 -0.004 -6.460 6.287 93 3HG2 ILE 10 3HG2 ILE 10 0.139 -5.193 5.069 94 1HD1 ILE 10 1HD1 ILE 10 2.310 -9.400 4.956 95 2HD1 ILE 10 2HD1 ILE 10 0.570 -9.186 4.804 96 3HD1 ILE 10 3HD1 ILE 10 1.407 -8.582 6.230 97 H GLU 11 H GLU 11 4.643 -4.819 6.445 98 HA GLU 11 HA GLU 11 3.519 -2.691 7.912 99 1HB GLU 11 2HB GLU 11 6.082 -4.098 7.816 100 2HB GLU 11 1HB GLU 11 6.267 -2.403 8.212 101 1HG GLU 11 2HG GLU 11 6.055 -3.886 10.182 102 2HG GLU 11 1HG GLU 11 4.843 -2.608 10.109 103 H SER 12 H SER 12 5.338 -2.819 4.941 104 HA SER 12 HA SER 12 6.041 -0.043 4.896 105 1HB SER 12 2HB SER 12 5.790 -1.869 2.497 106 2HB SER 12 1HB SER 12 6.808 -0.439 2.667 107 HG SER 12 HG SER 12 8.009 -2.361 2.926 108 H TYR 13 H TYR 13 3.520 -2.035 3.392 109 HA TYR 13 HA TYR 13 2.209 0.057 2.024 110 1HB TYR 13 2HB TYR 13 1.835 -2.364 1.584 111 2HB TYR 13 1HB TYR 13 1.005 -2.492 3.128 112 HD1 TYR 13 1HD TYR 13 -1.294 -2.162 3.231 113 HD2 TYR 13 2HD TYR 13 0.864 -0.649 -0.109 114 HE1 TYR 13 1HE TYR 13 -3.413 -1.536 2.152 115 HE2 TYR 13 2HE TYR 13 -1.249 -0.018 -1.196 116 HH TYR 13 HH TYR 13 -4.189 -1.168 -0.308 117 H PHE 14 H PHE 14 1.902 -1.267 5.263 118 HA PHE 14 HA PHE 14 -0.376 0.281 5.997 119 1HB PHE 14 2HB PHE 14 1.657 -1.272 7.576 120 2HB PHE 14 1HB PHE 14 0.339 -0.414 8.347 121 HD1 PHE 14 1HD PHE 14 -0.131 -2.712 9.304 122 HD2 PHE 14 2HD PHE 14 -0.558 -1.826 5.158 123 HE1 PHE 14 1HE PHE 14 -1.557 -4.698 9.025 124 HE2 PHE 14 2HE PHE 14 -1.984 -3.807 4.879 125 HZ PHE 14 HZ PHE 14 -2.482 -5.254 6.809 126 H LYS 15 H LYS 15 3.104 0.559 6.584 127 HA LYS 15 HA LYS 15 3.003 2.926 8.115 128 1HB LYS 15 2HB LYS 15 5.154 1.559 6.528 129 2HB LYS 15 1HB LYS 15 5.446 3.127 7.263 130 1HG LYS 15 2HG LYS 15 4.550 0.682 8.774 131 2HG LYS 15 1HG LYS 15 6.225 1.218 8.631 132 1HD LYS 15 2HD LYS 15 5.877 2.453 10.456 133 2HD LYS 15 1HD LYS 15 4.847 3.487 9.464 134 1HE LYS 15 2HE LYS 15 3.202 2.968 10.880 135 2HE LYS 15 1HE LYS 15 3.193 1.377 10.120 136 1HZ LYS 15 1HZ LYS 15 3.360 1.296 12.562 137 2HZ LYS 15 2HZ LYS 15 4.846 2.098 12.479 138 3HZ LYS 15 3HZ LYS 15 4.677 0.561 11.796 139 H ALA 16 H ALA 16 3.412 2.328 4.659 140 HA ALA 16 HA ALA 16 3.865 5.010 3.917 141 1HB ALA 16 1HB ALA 16 2.985 2.575 2.409 142 2HB ALA 16 2HB ALA 16 4.530 3.423 2.344 143 3HB ALA 16 3HB ALA 16 3.094 4.151 1.626 144 H THR 17 H THR 17 0.909 3.105 4.238 145 HA THR 17 HA THR 17 -0.815 4.999 3.048 146 HB THR 17 HB THR 17 -2.598 3.793 4.408 147 HG1 THR 17 1HG THR 17 -1.136 3.107 6.074 148 1HG2 THR 17 1HG2 THR 17 -2.461 2.922 2.292 149 2HG2 THR 17 2HG2 THR 17 -2.080 1.513 3.282 150 3HG2 THR 17 3HG2 THR 17 -0.785 2.413 2.493 151 H GLU 18 H GLU 18 0.495 4.643 6.269 152 HA GLU 18 HA GLU 18 -1.248 6.547 7.493 153 1HB GLU 18 2HB GLU 18 1.031 4.885 8.304 154 2HB GLU 18 1HB GLU 18 0.927 6.422 9.150 155 1HG GLU 18 2HG GLU 18 -1.295 5.914 9.907 156 2HG GLU 18 1HG GLU 18 -1.325 4.438 8.945 157 H MET 19 H MET 19 2.120 6.658 6.403 158 HA MET 19 HA MET 19 2.378 9.448 7.030 159 1HB MET 19 2HB MET 19 4.612 9.239 6.189 160 2HB MET 19 1HB MET 19 4.254 7.837 7.179 161 1HG MET 19 2HG MET 19 3.984 6.461 5.257 162 2HG MET 19 1HG MET 19 4.066 7.852 4.180 163 1HE MET 19 1HE MET 19 6.717 5.301 6.288 164 2HE MET 19 2HE MET 19 7.087 5.041 4.584 165 3HE MET 19 3HE MET 19 5.415 4.988 5.142 166 H ASN 20 H ASN 20 1.154 7.723 4.362 167 HA ASN 20 HA ASN 20 0.247 8.447 2.398 168 1HB ASN 20 2HB ASN 20 1.327 11.211 2.898 169 2HB ASN 20 1HB ASN 20 -0.048 10.742 1.907 170 1HD2 ASN 20 1HD2 ASN 20 -1.399 9.071 3.597 171 2HD2 ASN 20 2HD2 ASN 20 -1.974 9.963 4.960 172 H LEU 21 H LEU 21 2.767 7.286 2.633 173 HA LEU 21 HA LEU 21 4.878 8.492 1.294 174 1HB LEU 21 2HB LEU 21 4.608 6.180 2.516 175 2HB LEU 21 1HB LEU 21 4.269 5.587 0.904 176 HG LEU 21 HG LEU 21 6.771 7.144 1.450 177 1HD1 LEU 21 1HD1 LEU 21 7.166 4.279 1.495 178 2HD1 LEU 21 2HD1 LEU 21 6.157 4.824 2.834 179 3HD1 LEU 21 3HD1 LEU 21 7.759 5.521 2.595 180 1HD2 LEU 21 1HD2 LEU 21 7.097 6.733 -0.712 181 2HD2 LEU 21 2HD2 LEU 21 5.616 5.781 -0.793 182 3HD2 LEU 21 3HD2 LEU 21 7.139 5.006 -0.358 183 H ASN 22 H ASN 22 5.670 8.119 -0.909 184 HA ASN 22 HA ASN 22 4.094 8.984 -2.927 185 1HB ASN 22 2HB ASN 22 6.619 8.492 -2.913 186 2HB ASN 22 1HB ASN 22 6.176 6.887 -3.485 187 1HD2 ASN 22 1HD2 ASN 22 7.012 9.951 -4.403 188 2HD2 ASN 22 2HD2 ASN 22 6.451 9.915 -6.037 189 H ARG 23 H ARG 23 2.572 8.249 -4.276 190 HA ARG 23 HA ARG 23 1.059 6.001 -3.720 191 1HB ARG 23 2HB ARG 23 0.360 7.995 -5.073 192 2HB ARG 23 1HB ARG 23 1.268 7.326 -6.422 193 1HG ARG 23 2HG ARG 23 -0.662 6.367 -6.995 194 2HG ARG 23 1HG ARG 23 -0.298 5.212 -5.712 195 1HD ARG 23 2HD ARG 23 -1.480 6.955 -4.182 196 2HD ARG 23 1HD ARG 23 -2.169 7.545 -5.694 197 HE ARG 23 HE ARG 23 -2.450 4.707 -5.298 198 1HH1 ARG 23 1HH1 ARG 23 -3.889 7.843 -4.721 199 2HH1 ARG 23 2HH1 ARG 23 -5.488 7.207 -4.535 200 1HH2 ARG 23 1HH2 ARG 23 -4.551 3.880 -5.053 201 2HH2 ARG 23 2HH2 ARG 23 -5.865 4.961 -4.723 202 H ASP 24 H ASP 24 3.854 6.303 -5.804 203 HA ASP 24 HA ASP 24 3.481 3.877 -7.206 204 1HB ASP 24 2HB ASP 24 5.714 5.798 -6.828 205 2HB ASP 24 1HB ASP 24 6.148 4.172 -7.344 206 H PHE 25 H PHE 25 4.959 4.659 -4.132 207 HA PHE 25 HA PHE 25 6.156 2.077 -3.774 208 1HB PHE 25 2HB PHE 25 6.754 4.378 -2.645 209 2HB PHE 25 1HB PHE 25 5.510 3.911 -1.490 210 HD1 PHE 25 1HD PHE 25 8.508 2.450 -3.162 211 HD2 PHE 25 2HD PHE 25 6.173 2.764 0.382 212 HE1 PHE 25 1HE PHE 25 10.152 1.069 -1.960 213 HE2 PHE 25 2HE PHE 25 7.813 1.386 1.590 214 HZ PHE 25 HZ PHE 25 9.806 0.535 0.419 215 H ILE 26 H ILE 26 3.254 3.744 -2.664 216 HA ILE 26 HA ILE 26 2.239 1.718 -1.005 217 HB ILE 26 HB ILE 26 0.801 3.867 -2.576 218 1HG1 ILE 26 2HG1 ILE 26 1.661 3.701 0.320 219 2HG1 ILE 26 1HG1 ILE 26 2.379 4.723 -0.920 220 1HG2 ILE 26 1HG2 ILE 26 -0.245 2.043 -0.409 221 2HG2 ILE 26 2HG2 ILE 26 -0.811 2.158 -2.076 222 3HG2 ILE 26 3HG2 ILE 26 -1.070 3.501 -0.962 223 1HD1 ILE 26 1HD1 ILE 26 1.032 6.212 0.178 224 2HD1 ILE 26 2HD1 ILE 26 -0.215 5.009 0.507 225 3HD1 ILE 26 3HD1 ILE 26 -0.042 5.679 -1.116 226 H GLU 27 H GLU 27 1.750 2.415 -4.454 227 HA GLU 27 HA GLU 27 -0.021 0.217 -4.860 228 1HB GLU 27 2HB GLU 27 0.589 2.445 -6.298 229 2HB GLU 27 1HB GLU 27 1.498 1.229 -7.181 230 1HG GLU 27 2HG GLU 27 -0.679 1.513 -8.167 231 2HG GLU 27 1HG GLU 27 -0.548 -0.093 -7.451 232 H LEU 28 H LEU 28 3.423 0.710 -5.050 233 HA LEU 28 HA LEU 28 4.076 -1.669 -6.433 234 1HB LEU 28 2HB LEU 28 5.758 -0.058 -6.435 235 2HB LEU 28 1HB LEU 28 5.556 0.305 -4.735 236 HG LEU 28 HG LEU 28 6.655 -2.362 -5.527 237 1HD1 LEU 28 1HD1 LEU 28 8.528 -0.094 -5.095 238 2HD1 LEU 28 2HD1 LEU 28 7.803 -0.295 -6.691 239 3HD1 LEU 28 3HD1 LEU 28 8.760 -1.598 -5.986 240 1HD2 LEU 28 1HD2 LEU 28 8.020 -1.711 -3.399 241 2HD2 LEU 28 2HD2 LEU 28 6.354 -2.264 -3.244 242 3HD2 LEU 28 3HD2 LEU 28 6.722 -0.541 -3.162 243 H ILE 29 H ILE 29 3.963 -0.853 -2.975 244 HA ILE 29 HA ILE 29 4.693 -3.447 -2.084 245 HB ILE 29 HB ILE 29 3.107 -1.372 -0.563 246 1HG1 ILE 29 2HG1 ILE 29 6.043 -1.720 -0.196 247 2HG1 ILE 29 1HG1 ILE 29 5.497 -0.833 -1.614 248 1HG2 ILE 29 1HG2 ILE 29 3.061 -3.580 0.452 249 2HG2 ILE 29 2HG2 ILE 29 4.038 -2.474 1.418 250 3HG2 ILE 29 3HG2 ILE 29 4.821 -3.666 0.380 251 1HD1 ILE 29 1HD1 ILE 29 5.924 0.207 0.889 252 2HD1 ILE 29 2HD1 ILE 29 4.171 0.028 0.818 253 3HD1 ILE 29 3HD1 ILE 29 5.012 0.971 -0.412 254 H GLU 30 H GLU 30 1.678 -1.903 -2.941 255 HA GLU 30 HA GLU 30 0.005 -3.976 -1.873 256 1HB GLU 30 2HB GLU 30 -0.567 -1.477 -2.410 257 2HB GLU 30 1HB GLU 30 -0.875 -2.088 -4.028 258 1HG GLU 30 2HG GLU 30 -2.312 -3.853 -2.650 259 2HG GLU 30 1HG GLU 30 -2.382 -2.502 -1.521 260 H ASN 31 H ASN 31 1.517 -3.237 -4.938 261 HA ASN 31 HA ASN 31 0.084 -5.107 -6.511 262 1HB ASN 31 2HB ASN 31 2.611 -3.542 -6.829 263 2HB ASN 31 1HB ASN 31 2.300 -4.870 -7.942 264 1HD2 ASN 31 1HD2 ASN 31 2.497 -2.533 -9.085 265 2HD2 ASN 31 2HD2 ASN 31 0.959 -1.887 -9.538 266 H GLU 32 H GLU 32 2.843 -5.363 -4.402 267 HA GLU 32 HA GLU 32 3.619 -7.969 -5.376 268 1HB GLU 32 2HB GLU 32 5.108 -6.157 -4.219 269 2HB GLU 32 1HB GLU 32 4.477 -6.842 -2.728 270 1HG GLU 32 2HG GLU 32 6.237 -8.206 -2.867 271 2HG GLU 32 1HG GLU 32 5.254 -9.082 -4.038 272 H ILE 33 H ILE 33 1.989 -6.612 -2.568 273 HA ILE 33 HA ILE 33 1.495 -9.057 -1.235 274 HB ILE 33 HB ILE 33 -0.008 -6.432 -1.098 275 1HG1 ILE 33 2HG1 ILE 33 2.000 -7.438 0.898 276 2HG1 ILE 33 1HG1 ILE 33 2.512 -6.548 -0.531 277 1HG2 ILE 33 1HG2 ILE 33 0.059 -8.444 1.117 278 2HG2 ILE 33 2HG2 ILE 33 -1.122 -8.601 -0.181 279 3HG2 ILE 33 3HG2 ILE 33 -1.099 -7.150 0.817 280 1HD1 ILE 33 1HD1 ILE 33 0.572 -5.535 1.534 281 2HD1 ILE 33 2HD1 ILE 33 1.199 -4.639 0.149 282 3HD1 ILE 33 3HD1 ILE 33 2.285 -5.124 1.452 283 H LYS 34 H LYS 34 -0.143 -7.299 -3.792 284 HA LYS 34 HA LYS 34 -2.571 -8.793 -3.687 285 1HB LYS 34 2HB LYS 34 -1.352 -6.770 -5.468 286 2HB LYS 34 1HB LYS 34 -2.489 -7.866 -6.241 287 1HG LYS 34 2HG LYS 34 -4.121 -7.276 -4.411 288 2HG LYS 34 1HG LYS 34 -2.998 -5.999 -3.944 289 1HD LYS 34 2HD LYS 34 -3.141 -5.134 -6.289 290 2HD LYS 34 1HD LYS 34 -4.420 -6.314 -6.584 291 1HE LYS 34 2HE LYS 34 -5.345 -5.162 -4.332 292 2HE LYS 34 1HE LYS 34 -4.468 -3.803 -5.033 293 1HZ LYS 34 1HZ LYS 34 -6.204 -5.302 -6.829 294 2HZ LYS 34 2HZ LYS 34 -5.912 -3.638 -6.744 295 3HZ LYS 34 3HZ LYS 34 -6.974 -4.367 -5.648 296 H ARG 35 H ARG 35 0.361 -8.957 -5.673 297 HA ARG 35 HA ARG 35 -0.492 -11.226 -7.173 298 1HB ARG 35 2HB ARG 35 1.937 -9.582 -6.941 299 2HB ARG 35 1HB ARG 35 2.241 -11.264 -7.353 300 1HG ARG 35 2HG ARG 35 1.129 -11.110 -9.368 301 2HG ARG 35 1HG ARG 35 0.181 -9.714 -8.856 302 1HD ARG 35 2HD ARG 35 1.920 -8.235 -9.214 303 2HD ARG 35 1HD ARG 35 3.151 -9.490 -9.072 304 HE ARG 35 HE ARG 35 2.913 -9.941 -11.307 305 1HH1 ARG 35 1HH1 ARG 35 0.235 -7.941 -10.272 306 2HH1 ARG 35 2HH1 ARG 35 -0.336 -7.666 -11.883 307 1HH2 ARG 35 1HH2 ARG 35 2.155 -9.574 -13.418 308 2HH2 ARG 35 2HH2 ARG 35 0.751 -8.592 -13.666 309 H ARG 36 H ARG 36 0.959 -10.772 -4.065 310 HA ARG 36 HA ARG 36 1.958 -13.468 -3.844 311 1HB ARG 36 2HB ARG 36 1.896 -11.047 -2.100 312 2HB ARG 36 1HB ARG 36 2.149 -12.612 -1.345 313 1HG ARG 36 2HG ARG 36 4.024 -12.946 -3.030 314 2HG ARG 36 1HG ARG 36 3.863 -11.222 -3.376 315 1HD ARG 36 2HD ARG 36 4.049 -10.969 -0.791 316 2HD ARG 36 1HD ARG 36 4.760 -12.580 -0.868 317 HE ARG 36 HE ARG 36 5.977 -10.808 -2.732 318 1HH1 ARG 36 1HH1 ARG 36 5.931 -11.669 0.659 319 2HH1 ARG 36 2HH1 ARG 36 7.549 -11.122 0.942 320 1HH2 ARG 36 1HH2 ARG 36 8.100 -10.092 -2.350 321 2HH2 ARG 36 2HH2 ARG 36 8.778 -10.228 -0.762 322 H SER 37 H SER 37 -1.122 -12.444 -3.933 323 HA SER 37 HA SER 37 -3.104 -13.256 -3.177 324 1HB SER 37 2HB SER 37 -1.868 -15.436 -3.748 325 2HB SER 37 1HB SER 37 -1.596 -15.594 -2.013 326 HG SER 37 HG SER 37 -3.514 -16.437 -1.978 327 H LEU 38 H LEU 38 -1.589 -11.488 -1.532 328 HA LEU 38 HA LEU 38 -2.536 -12.286 1.150 329 1HB LEU 38 2HB LEU 38 0.021 -12.086 0.605 330 2HB LEU 38 1HB LEU 38 -0.285 -10.367 0.753 331 HG LEU 38 HG LEU 38 -1.263 -10.882 3.046 332 1HD1 LEU 38 1HD1 LEU 38 0.374 -13.365 2.994 333 2HD1 LEU 38 2HD1 LEU 38 -1.272 -13.420 2.360 334 3HD1 LEU 38 3HD1 LEU 38 -0.985 -12.927 4.029 335 1HD2 LEU 38 1HD2 LEU 38 0.975 -11.003 4.078 336 2HD2 LEU 38 2HD2 LEU 38 0.884 -9.811 2.780 337 3HD2 LEU 38 3HD2 LEU 38 1.658 -11.370 2.495 338 H GLY 39 H GLY 39 -3.885 -10.762 -1.035 339 1HA GLY 39 2HA GLY 39 -3.911 -7.997 -0.321 340 2HA GLY 39 1HA GLY 39 -5.083 -8.820 -1.341 341 H HIS 40 H HIS 40 -5.172 -10.666 1.318 342 HA HIS 40 HA HIS 40 -7.510 -9.294 2.326 343 1HB HIS 40 2HB HIS 40 -7.734 -11.298 3.796 344 2HB HIS 40 1HB HIS 40 -7.644 -11.707 2.086 345 HD1 HIS 40 1HD HIS 40 -5.683 -13.133 1.321 346 HD2 HIS 40 2HD HIS 40 -5.434 -12.007 5.313 347 HE1 HIS 40 1HE HIS 40 -3.810 -14.504 2.290 348 HE2 HIS 40 2HE HIS 40 -3.666 -13.794 4.703 349 H ILE 41 H ILE 41 -4.199 -9.907 3.232 350 HA ILE 41 HA ILE 41 -4.312 -9.217 5.948 351 HB ILE 41 HB ILE 41 -2.393 -10.269 4.550 352 1HG1 ILE 41 2HG1 ILE 41 -0.725 -9.562 6.210 353 2HG1 ILE 41 1HG1 ILE 41 -1.790 -8.250 6.710 354 1HG2 ILE 41 1HG2 ILE 41 -1.157 -7.580 4.466 355 2HG2 ILE 41 2HG2 ILE 41 -2.287 -8.007 3.184 356 3HG2 ILE 41 3HG2 ILE 41 -0.858 -8.997 3.462 357 1HD1 ILE 41 1HD1 ILE 41 -3.314 -9.707 7.679 358 2HD1 ILE 41 2HD1 ILE 41 -1.749 -10.412 8.086 359 3HD1 ILE 41 3HD1 ILE 41 -2.709 -11.093 6.772 360 H ILE 42 H ILE 42 -4.143 -7.330 3.029 361 HA ILE 42 HA ILE 42 -3.683 -4.818 4.369 362 HB ILE 42 HB ILE 42 -4.157 -3.848 2.072 363 1HG1 ILE 42 2HG1 ILE 42 -4.061 -6.751 1.241 364 2HG1 ILE 42 1HG1 ILE 42 -5.486 -5.720 1.192 365 1HG2 ILE 42 1HG2 ILE 42 -2.009 -4.718 1.118 366 2HG2 ILE 42 2HG2 ILE 42 -1.934 -5.805 2.505 367 3HG2 ILE 42 3HG2 ILE 42 -1.921 -4.058 2.752 368 1HD1 ILE 42 1HD1 ILE 42 -3.126 -5.798 -0.581 369 2HD1 ILE 42 2HD1 ILE 42 -3.861 -4.224 -0.274 370 3HD1 ILE 42 3HD1 ILE 42 -4.827 -5.529 -0.960 371 H SER 43 H SER 43 -5.168 -3.029 4.305 372 HA SER 43 HA SER 43 -7.858 -3.842 4.889 373 1HB SER 43 2HB SER 43 -6.568 -1.968 6.058 374 2HB SER 43 1HB SER 43 -6.883 -0.995 4.621 375 HG SER 43 HG SER 43 -8.934 -0.839 5.158 376 H VAL 44 H VAL 44 -7.867 -4.746 2.562 377 HA VAL 44 HA VAL 44 -9.002 -2.705 0.767 378 HB VAL 44 HB VAL 44 -7.551 -5.216 -0.077 379 1HG1 VAL 44 1HG1 VAL 44 -8.632 -2.863 -1.605 380 2HG1 VAL 44 2HG1 VAL 44 -9.100 -4.557 -1.752 381 3HG1 VAL 44 3HG1 VAL 44 -7.501 -4.034 -2.284 382 1HG2 VAL 44 1HG2 VAL 44 -6.595 -2.373 0.125 383 2HG2 VAL 44 2HG2 VAL 44 -5.773 -3.615 -0.817 384 3HG2 VAL 44 3HG2 VAL 44 -5.937 -3.795 0.930 385 H SER 45 H SER 45 -10.758 -3.345 -0.548 386 HA SER 45 HA SER 45 -12.150 -5.764 0.404 387 1HB SER 45 2HB SER 45 -14.229 -4.421 -0.446 388 2HB SER 45 1HB SER 45 -13.530 -4.030 1.124 389 HG SER 45 HG SER 45 -13.350 -2.093 0.346 390 H SER 46 H SER 46 -11.300 -7.103 -1.191 391 HA SER 46 HA SER 46 -11.340 -6.474 -3.959 392 1HB SER 46 2HB SER 46 -9.922 -8.248 -2.757 393 2HB SER 46 1HB SER 46 -11.353 -9.274 -2.841 394 HG SER 46 HG SER 46 -9.557 -8.698 -4.764 Start of MODEL 4 1 1H MET 1 1HT MET 1 10.528 -3.901 -5.330 2 2H MET 1 2HT MET 1 11.646 -3.074 -4.324 3 3H MET 1 3HT MET 1 9.960 -2.853 -4.097 4 HA MET 1 HA MET 1 10.993 -4.290 -2.453 5 1HB MET 1 2HB MET 1 8.610 -4.556 -3.923 6 2HB MET 1 1HB MET 1 9.222 -6.192 -3.729 7 1HG MET 1 2HG MET 1 8.008 -6.038 -1.829 8 2HG MET 1 1HG MET 1 9.532 -5.386 -1.230 9 1HE MET 1 1HE MET 1 9.799 -2.977 -0.250 10 2HE MET 1 2HE MET 1 8.924 -1.616 -0.955 11 3HE MET 1 3HE MET 1 9.940 -2.635 -1.975 12 H ARG 2 H ARG 2 13.053 -5.076 -2.616 13 HA ARG 2 HA ARG 2 13.766 -6.983 -4.668 14 1HB ARG 2 2HB ARG 2 15.307 -5.931 -2.289 15 2HB ARG 2 1HB ARG 2 15.973 -7.002 -3.514 16 1HG ARG 2 2HG ARG 2 16.176 -5.355 -5.041 17 2HG ARG 2 1HG ARG 2 14.713 -4.526 -4.504 18 1HD ARG 2 2HD ARG 2 17.363 -4.524 -3.060 19 2HD ARG 2 1HD ARG 2 16.744 -3.212 -4.061 20 HE ARG 2 HE ARG 2 14.792 -3.640 -2.196 21 1HH1 ARG 2 1HH1 ARG 2 18.204 -2.878 -2.056 22 2HH1 ARG 2 2HH1 ARG 2 18.071 -2.014 -0.562 23 1HH2 ARG 2 1HH2 ARG 2 14.628 -2.503 -0.235 24 2HH2 ARG 2 2HH2 ARG 2 16.046 -1.800 0.470 25 H LYS 3 H LYS 3 13.525 -7.025 -1.113 26 HA LYS 3 HA LYS 3 12.464 -9.662 -1.077 27 1HB LYS 3 2HB LYS 3 14.395 -10.667 0.213 28 2HB LYS 3 1HB LYS 3 14.671 -10.425 -1.507 29 1HG LYS 3 2HG LYS 3 16.196 -8.751 -1.170 30 2HG LYS 3 1HG LYS 3 15.509 -8.290 0.389 31 1HD LYS 3 2HD LYS 3 16.397 -10.349 1.381 32 2HD LYS 3 1HD LYS 3 17.093 -10.796 -0.178 33 1HE LYS 3 2HE LYS 3 18.466 -8.756 -0.128 34 2HE LYS 3 1HE LYS 3 17.792 -8.355 1.452 35 1HZ LYS 3 1HZ LYS 3 19.770 -10.369 0.731 36 2HZ LYS 3 2HZ LYS 3 18.671 -10.792 1.946 37 3HZ LYS 3 3HZ LYS 3 19.646 -9.423 2.129 38 H LEU 4 H LEU 4 11.289 -9.895 0.724 39 HA LEU 4 HA LEU 4 12.033 -9.080 3.296 40 1HB LEU 4 2HB LEU 4 10.086 -7.285 3.387 41 2HB LEU 4 1HB LEU 4 11.739 -6.851 3.002 42 HG LEU 4 HG LEU 4 11.234 -6.692 0.661 43 1HD1 LEU 4 1HD1 LEU 4 8.689 -8.035 1.450 44 2HD1 LEU 4 2HD1 LEU 4 9.783 -8.396 0.116 45 3HD1 LEU 4 3HD1 LEU 4 8.725 -6.987 0.033 46 1HD2 LEU 4 1HD2 LEU 4 10.384 -4.933 2.462 47 2HD2 LEU 4 2HD2 LEU 4 8.822 -5.375 1.771 48 3HD2 LEU 4 3HD2 LEU 4 10.095 -4.729 0.735 49 H SER 5 H SER 5 10.556 -9.716 4.869 50 HA SER 5 HA SER 5 8.728 -11.748 4.107 51 1HB SER 5 2HB SER 5 8.766 -10.395 6.799 52 2HB SER 5 1HB SER 5 8.339 -12.064 6.419 53 HG SER 5 HG SER 5 10.471 -12.522 6.052 54 H ASP 6 H ASP 6 6.416 -11.782 4.761 55 HA ASP 6 HA ASP 6 5.008 -9.674 3.549 56 1HB ASP 6 2HB ASP 6 3.558 -11.307 5.589 57 2HB ASP 6 1HB ASP 6 3.061 -10.811 3.981 58 H GLU 7 H GLU 7 6.159 -10.113 6.783 59 HA GLU 7 HA GLU 7 4.450 -8.190 8.017 60 1HB GLU 7 2HB GLU 7 6.686 -9.892 8.801 61 2HB GLU 7 1HB GLU 7 6.766 -8.306 9.557 62 1HG GLU 7 2HG GLU 7 5.568 -9.584 11.073 63 2HG GLU 7 1HG GLU 7 4.318 -8.700 10.198 64 H LEU 8 H LEU 8 7.593 -8.130 6.487 65 HA LEU 8 HA LEU 8 8.104 -5.371 7.133 66 1HB LEU 8 2HB LEU 8 9.478 -7.478 5.538 67 2HB LEU 8 1HB LEU 8 9.906 -5.798 5.268 68 HG LEU 8 HG LEU 8 11.403 -6.914 6.866 69 1HD1 LEU 8 1HD1 LEU 8 11.655 -5.067 8.158 70 2HD1 LEU 8 2HD1 LEU 8 9.935 -4.960 8.534 71 3HD1 LEU 8 3HD1 LEU 8 10.530 -4.414 6.966 72 1HD2 LEU 8 1HD2 LEU 8 10.719 -7.834 8.866 73 2HD2 LEU 8 2HD2 LEU 8 9.414 -8.313 7.782 74 3HD2 LEU 8 3HD2 LEU 8 9.196 -6.944 8.872 75 H LEU 9 H LEU 9 6.819 -7.214 4.454 76 HA LEU 9 HA LEU 9 6.795 -5.047 2.590 77 1HB LEU 9 2HB LEU 9 6.865 -7.306 1.764 78 2HB LEU 9 1HB LEU 9 5.402 -7.721 2.633 79 HG LEU 9 HG LEU 9 4.260 -5.949 1.138 80 1HD1 LEU 9 1HD1 LEU 9 6.714 -5.330 0.326 81 2HD1 LEU 9 2HD1 LEU 9 5.304 -5.168 -0.721 82 3HD1 LEU 9 3HD1 LEU 9 6.349 -6.580 -0.864 83 1HD2 LEU 9 1HD2 LEU 9 3.754 -8.282 0.934 84 2HD2 LEU 9 2HD2 LEU 9 5.267 -8.587 0.081 85 3HD2 LEU 9 3HD2 LEU 9 4.001 -7.630 -0.686 86 H ILE 10 H ILE 10 4.346 -6.619 4.606 87 HA ILE 10 HA ILE 10 2.253 -4.906 3.785 88 HB ILE 10 HB ILE 10 2.476 -6.614 6.257 89 1HG1 ILE 10 2HG1 ILE 10 0.807 -7.202 3.840 90 2HG1 ILE 10 1HG1 ILE 10 2.529 -7.569 3.822 91 1HG2 ILE 10 1HG2 ILE 10 0.087 -6.398 6.490 92 2HG2 ILE 10 2HG2 ILE 10 -0.005 -5.405 5.035 93 3HG2 ILE 10 3HG2 ILE 10 0.804 -4.787 6.476 94 1HD1 ILE 10 1HD1 ILE 10 1.207 -8.524 6.211 95 2HD1 ILE 10 2HD1 ILE 10 2.251 -9.370 5.071 96 3HD1 ILE 10 3HD1 ILE 10 0.534 -9.196 4.731 97 H GLU 11 H GLU 11 4.647 -4.773 6.324 98 HA GLU 11 HA GLU 11 3.515 -2.686 7.840 99 1HB GLU 11 2HB GLU 11 6.221 -3.868 7.538 100 2HB GLU 11 1HB GLU 11 6.128 -2.272 8.258 101 1HG GLU 11 2HG GLU 11 4.511 -4.599 9.251 102 2HG GLU 11 1HG GLU 11 6.129 -4.230 9.847 103 H SER 12 H SER 12 5.279 -2.751 4.836 104 HA SER 12 HA SER 12 5.921 0.043 4.810 105 1HB SER 12 2HB SER 12 6.843 -2.057 3.384 106 2HB SER 12 1HB SER 12 5.667 -1.419 2.235 107 HG SER 12 HG SER 12 8.011 -0.570 2.377 108 H TYR 13 H TYR 13 3.418 -1.991 3.350 109 HA TYR 13 HA TYR 13 2.064 0.080 1.985 110 1HB TYR 13 2HB TYR 13 1.752 -2.374 1.575 111 2HB TYR 13 1HB TYR 13 0.877 -2.473 3.095 112 HD1 TYR 13 1HD TYR 13 0.823 -0.477 -0.068 113 HD2 TYR 13 2HD TYR 13 -1.423 -2.370 3.010 114 HE1 TYR 13 1HE TYR 13 -1.261 0.120 -1.229 115 HE2 TYR 13 2HE TYR 13 -3.512 -1.780 1.856 116 HH TYR 13 HH TYR 13 -4.090 0.287 0.036 117 H PHE 14 H PHE 14 1.877 -1.218 5.231 118 HA PHE 14 HA PHE 14 -0.439 0.271 5.999 119 1HB PHE 14 2HB PHE 14 1.641 -1.265 7.532 120 2HB PHE 14 1HB PHE 14 0.337 -0.418 8.338 121 HD1 PHE 14 1HD PHE 14 -0.147 -2.683 9.314 122 HD2 PHE 14 2HD PHE 14 -0.574 -1.866 5.154 123 HE1 PHE 14 1HE PHE 14 -1.565 -4.678 9.066 124 HE2 PHE 14 2HE PHE 14 -1.993 -3.856 4.906 125 HZ PHE 14 HZ PHE 14 -2.489 -5.272 6.859 126 H LYS 15 H LYS 15 3.040 0.590 6.599 127 HA LYS 15 HA LYS 15 2.893 2.959 8.116 128 1HB LYS 15 2HB LYS 15 5.068 1.595 6.566 129 2HB LYS 15 1HB LYS 15 5.341 3.198 7.226 130 1HG LYS 15 2HG LYS 15 4.584 2.204 9.461 131 2HG LYS 15 1HG LYS 15 4.824 0.637 8.690 132 1HD LYS 15 2HD LYS 15 6.934 2.784 8.829 133 2HD LYS 15 1HD LYS 15 6.789 1.469 9.996 134 1HE LYS 15 2HE LYS 15 6.941 -0.114 8.026 135 2HE LYS 15 1HE LYS 15 7.403 1.284 7.056 136 1HZ LYS 15 1HZ LYS 15 9.294 -0.035 7.950 137 2HZ LYS 15 2HZ LYS 15 8.845 0.444 9.509 138 3HZ LYS 15 3HZ LYS 15 9.333 1.602 8.376 139 H ALA 16 H ALA 16 3.389 2.362 4.667 140 HA ALA 16 HA ALA 16 3.808 5.024 3.900 141 1HB ALA 16 1HB ALA 16 3.050 4.181 1.621 142 2HB ALA 16 2HB ALA 16 2.850 2.609 2.397 143 3HB ALA 16 3HB ALA 16 4.438 3.375 2.354 144 H THR 17 H THR 17 0.827 3.162 4.290 145 HA THR 17 HA THR 17 -0.867 5.101 3.105 146 HB THR 17 HB THR 17 -2.686 3.922 4.394 147 HG1 THR 17 1HG THR 17 -2.088 2.773 6.020 148 1HG2 THR 17 1HG2 THR 17 -1.894 1.546 3.383 149 2HG2 THR 17 2HG2 THR 17 -0.900 2.663 2.448 150 3HG2 THR 17 3HG2 THR 17 -2.655 2.832 2.446 151 H GLU 18 H GLU 18 0.465 4.675 6.306 152 HA GLU 18 HA GLU 18 -1.214 6.603 7.577 153 1HB GLU 18 2HB GLU 18 1.072 4.910 8.328 154 2HB GLU 18 1HB GLU 18 0.958 6.428 9.210 155 1HG GLU 18 2HG GLU 18 -1.346 5.860 9.846 156 2HG GLU 18 1HG GLU 18 -1.182 4.320 9.004 157 H MET 19 H MET 19 2.149 6.653 6.458 158 HA MET 19 HA MET 19 2.462 9.438 7.086 159 1HB MET 19 2HB MET 19 4.687 9.187 6.220 160 2HB MET 19 1HB MET 19 4.315 7.800 7.225 161 1HG MET 19 2HG MET 19 3.945 6.439 5.280 162 2HG MET 19 1HG MET 19 4.165 7.830 4.222 163 1HE MET 19 1HE MET 19 5.714 4.919 6.025 164 2HE MET 19 2HE MET 19 7.264 4.897 5.183 165 3HE MET 19 3HE MET 19 5.759 4.862 4.263 166 H ASN 20 H ASN 20 1.201 7.729 4.424 167 HA ASN 20 HA ASN 20 0.304 8.452 2.460 168 1HB ASN 20 2HB ASN 20 1.387 11.213 2.992 169 2HB ASN 20 1HB ASN 20 0.038 10.759 1.959 170 1HD2 ASN 20 1HD2 ASN 20 -1.706 9.494 3.220 171 2HD2 ASN 20 2HD2 ASN 20 -2.183 10.202 4.722 172 H LEU 21 H LEU 21 2.796 7.259 2.653 173 HA LEU 21 HA LEU 21 4.909 8.475 1.313 174 1HB LEU 21 2HB LEU 21 4.661 6.160 2.530 175 2HB LEU 21 1HB LEU 21 4.299 5.571 0.922 176 HG LEU 21 HG LEU 21 6.806 7.130 1.439 177 1HD1 LEU 21 1HD1 LEU 21 7.366 5.558 2.943 178 2HD1 LEU 21 2HD1 LEU 21 7.682 4.582 1.509 179 3HD1 LEU 21 3HD1 LEU 21 6.150 4.419 2.366 180 1HD2 LEU 21 1HD2 LEU 21 7.091 6.737 -0.733 181 2HD2 LEU 21 2HD2 LEU 21 5.622 5.766 -0.793 182 3HD2 LEU 21 3HD2 LEU 21 7.161 5.010 -0.385 183 H ASN 22 H ASN 22 5.678 8.130 -0.891 184 HA ASN 22 HA ASN 22 4.079 8.993 -2.892 185 1HB ASN 22 2HB ASN 22 6.552 8.679 -3.022 186 2HB ASN 22 1HB ASN 22 6.281 6.962 -3.303 187 1HD2 ASN 22 1HD2 ASN 22 7.589 8.862 -5.020 188 2HD2 ASN 22 2HD2 ASN 22 6.701 8.889 -6.502 189 H ARG 23 H ARG 23 2.549 8.253 -4.228 190 HA ARG 23 HA ARG 23 1.075 5.975 -3.677 191 1HB ARG 23 2HB ARG 23 0.521 8.079 -5.106 192 2HB ARG 23 1HB ARG 23 1.143 7.122 -6.443 193 1HG ARG 23 2HG ARG 23 -0.745 5.620 -4.843 194 2HG ARG 23 1HG ARG 23 -1.447 7.122 -5.447 195 1HD ARG 23 2HD ARG 23 0.126 5.598 -7.410 196 2HD ARG 23 1HD ARG 23 -1.339 4.797 -6.844 197 HE ARG 23 HE ARG 23 -1.726 7.537 -7.638 198 1HH1 ARG 23 1HH1 ARG 23 -1.669 4.214 -8.728 199 2HH1 ARG 23 2HH1 ARG 23 -2.674 4.522 -10.103 200 1HH2 ARG 23 1HH2 ARG 23 -3.044 7.934 -9.447 201 2HH2 ARG 23 2HH2 ARG 23 -3.453 6.629 -10.512 202 H ASP 24 H ASP 24 3.921 6.300 -5.645 203 HA ASP 24 HA ASP 24 3.555 3.925 -7.155 204 1HB ASP 24 2HB ASP 24 5.964 5.623 -6.535 205 2HB ASP 24 1HB ASP 24 6.095 4.144 -7.483 206 H PHE 25 H PHE 25 5.064 4.630 -4.057 207 HA PHE 25 HA PHE 25 6.183 2.011 -3.745 208 1HB PHE 25 2HB PHE 25 6.847 4.267 -2.570 209 2HB PHE 25 1HB PHE 25 5.587 3.817 -1.425 210 HD1 PHE 25 1HD PHE 25 8.092 1.726 -3.216 211 HD2 PHE 25 2HD PHE 25 6.658 3.178 0.517 212 HE1 PHE 25 1HE PHE 25 9.689 0.270 -2.040 213 HE2 PHE 25 2HE PHE 25 8.253 1.727 1.700 214 HZ PHE 25 HZ PHE 25 9.772 0.270 0.421 215 H ILE 26 H ILE 26 3.291 3.708 -2.681 216 HA ILE 26 HA ILE 26 2.238 1.690 -1.027 217 HB ILE 26 HB ILE 26 0.852 3.867 -2.603 218 1HG1 ILE 26 2HG1 ILE 26 1.651 3.652 0.307 219 2HG1 ILE 26 1HG1 ILE 26 2.400 4.687 -0.905 220 1HG2 ILE 26 1HG2 ILE 26 -0.738 2.070 -2.114 221 2HG2 ILE 26 2HG2 ILE 26 -1.096 3.508 -1.154 222 3HG2 ILE 26 3HG2 ILE 26 -0.288 2.128 -0.409 223 1HD1 ILE 26 1HD1 ILE 26 -0.438 4.910 0.073 224 2HD1 ILE 26 2HD1 ILE 26 0.348 5.970 -1.097 225 3HD1 ILE 26 3HD1 ILE 26 0.911 5.930 0.573 226 H GLU 27 H GLU 27 1.781 2.413 -4.477 227 HA GLU 27 HA GLU 27 0.012 0.224 -4.917 228 1HB GLU 27 2HB GLU 27 0.656 2.448 -6.349 229 2HB GLU 27 1HB GLU 27 1.573 1.225 -7.217 230 1HG GLU 27 2HG GLU 27 -0.733 -0.066 -7.087 231 2HG GLU 27 1HG GLU 27 -1.357 1.577 -6.957 232 H LEU 28 H LEU 28 3.462 0.699 -5.068 233 HA LEU 28 HA LEU 28 4.115 -1.698 -6.424 234 1HB LEU 28 2HB LEU 28 5.793 -0.072 -6.420 235 2HB LEU 28 1HB LEU 28 5.600 0.267 -4.714 236 HG LEU 28 HG LEU 28 6.676 -2.398 -5.544 237 1HD1 LEU 28 1HD1 LEU 28 8.006 0.230 -5.868 238 2HD1 LEU 28 2HD1 LEU 28 8.232 -1.274 -6.761 239 3HD1 LEU 28 3HD1 LEU 28 8.957 -1.077 -5.165 240 1HD2 LEU 28 1HD2 LEU 28 6.384 -2.318 -3.257 241 2HD2 LEU 28 2HD2 LEU 28 6.777 -0.601 -3.161 242 3HD2 LEU 28 3HD2 LEU 28 8.057 -1.785 -3.418 243 H ILE 29 H ILE 29 3.967 -0.834 -2.981 244 HA ILE 29 HA ILE 29 4.678 -3.416 -2.041 245 HB ILE 29 HB ILE 29 3.090 -1.305 -0.572 246 1HG1 ILE 29 2HG1 ILE 29 5.995 -1.634 -0.088 247 2HG1 ILE 29 1HG1 ILE 29 5.548 -0.881 -1.615 248 1HG2 ILE 29 1HG2 ILE 29 3.759 -2.387 1.425 249 2HG2 ILE 29 2HG2 ILE 29 4.885 -3.434 0.563 250 3HG2 ILE 29 3HG2 ILE 29 3.147 -3.646 0.353 251 1HD1 ILE 29 1HD1 ILE 29 3.979 0.383 0.309 252 2HD1 ILE 29 2HD1 ILE 29 5.392 1.035 -0.522 253 3HD1 ILE 29 3HD1 ILE 29 5.578 0.225 1.034 254 H GLU 30 H GLU 30 1.678 -1.877 -2.958 255 HA GLU 30 HA GLU 30 -0.017 -3.926 -1.874 256 1HB GLU 30 2HB GLU 30 -0.578 -1.436 -2.462 257 2HB GLU 30 1HB GLU 30 -0.860 -2.072 -4.076 258 1HG GLU 30 2HG GLU 30 -2.350 -3.801 -2.769 259 2HG GLU 30 1HG GLU 30 -2.380 -2.515 -1.564 260 H ASN 31 H ASN 31 1.563 -3.254 -4.917 261 HA ASN 31 HA ASN 31 0.144 -5.145 -6.484 262 1HB ASN 31 2HB ASN 31 2.678 -3.586 -6.791 263 2HB ASN 31 1HB ASN 31 2.376 -4.929 -7.887 264 1HD2 ASN 31 1HD2 ASN 31 -0.205 -4.838 -8.438 265 2HD2 ASN 31 2HD2 ASN 31 -0.652 -3.334 -9.159 266 H GLU 32 H GLU 32 2.851 -5.368 -4.302 267 HA GLU 32 HA GLU 32 3.669 -7.977 -5.233 268 1HB GLU 32 2HB GLU 32 5.194 -6.253 -4.131 269 2HB GLU 32 1HB GLU 32 4.414 -6.672 -2.613 270 1HG GLU 32 2HG GLU 32 6.160 -8.088 -2.473 271 2HG GLU 32 1HG GLU 32 5.085 -9.121 -3.414 272 H ILE 33 H ILE 33 1.960 -6.617 -2.466 273 HA ILE 33 HA ILE 33 1.434 -9.060 -1.151 274 HB ILE 33 HB ILE 33 -0.085 -6.443 -1.058 275 1HG1 ILE 33 2HG1 ILE 33 1.924 -7.476 0.935 276 2HG1 ILE 33 1HG1 ILE 33 2.390 -6.471 -0.433 277 1HG2 ILE 33 1HG2 ILE 33 -0.073 -8.483 1.138 278 2HG2 ILE 33 2HG2 ILE 33 -1.238 -8.595 -0.179 279 3HG2 ILE 33 3HG2 ILE 33 -1.206 -7.166 0.850 280 1HD1 ILE 33 1HD1 ILE 33 2.164 -5.026 1.406 281 2HD1 ILE 33 2HD1 ILE 33 0.629 -5.749 1.885 282 3HD1 ILE 33 3HD1 ILE 33 0.725 -4.775 0.418 283 H LYS 34 H LYS 34 -0.137 -7.321 -3.762 284 HA LYS 34 HA LYS 34 -2.566 -8.814 -3.721 285 1HB LYS 34 2HB LYS 34 -1.298 -6.797 -5.461 286 2HB LYS 34 1HB LYS 34 -2.356 -7.922 -6.300 287 1HG LYS 34 2HG LYS 34 -4.140 -7.358 -4.647 288 2HG LYS 34 1HG LYS 34 -3.073 -6.102 -4.015 289 1HD LYS 34 2HD LYS 34 -2.967 -5.415 -6.569 290 2HD LYS 34 1HD LYS 34 -4.525 -6.243 -6.608 291 1HE LYS 34 2HE LYS 34 -5.485 -4.757 -5.081 292 2HE LYS 34 1HE LYS 34 -3.917 -4.174 -4.526 293 1HZ LYS 34 1HZ LYS 34 -5.084 -3.674 -7.211 294 2HZ LYS 34 2HZ LYS 34 -3.595 -3.094 -6.658 295 3HZ LYS 34 3HZ LYS 34 -5.030 -2.556 -5.941 296 H ARG 35 H ARG 35 0.425 -8.995 -5.616 297 HA ARG 35 HA ARG 35 -0.370 -11.288 -7.110 298 1HB ARG 35 2HB ARG 35 2.058 -9.641 -6.806 299 2HB ARG 35 1HB ARG 35 2.352 -11.320 -7.241 300 1HG ARG 35 2HG ARG 35 0.763 -11.032 -9.139 301 2HG ARG 35 1HG ARG 35 0.688 -9.314 -8.744 302 1HD ARG 35 2HD ARG 35 3.346 -10.606 -9.146 303 2HD ARG 35 1HD ARG 35 2.364 -10.202 -10.554 304 HE ARG 35 HE ARG 35 2.445 -7.943 -8.945 305 1HH1 ARG 35 1HH1 ARG 35 4.711 -9.898 -10.755 306 2HH1 ARG 35 2HH1 ARG 35 5.792 -8.579 -11.056 307 1HH2 ARG 35 1HH2 ARG 35 3.870 -6.218 -9.344 308 2HH2 ARG 35 2HH2 ARG 35 5.317 -6.494 -10.255 309 H ARG 36 H ARG 36 1.012 -10.786 -3.974 310 HA ARG 36 HA ARG 36 2.033 -13.463 -3.689 311 1HB ARG 36 2HB ARG 36 1.833 -11.044 -1.946 312 2HB ARG 36 1HB ARG 36 2.114 -12.605 -1.195 313 1HG ARG 36 2HG ARG 36 4.148 -12.907 -2.403 314 2HG ARG 36 1HG ARG 36 3.829 -11.483 -3.395 315 1HD ARG 36 2HD ARG 36 4.408 -10.027 -1.739 316 2HD ARG 36 1HD ARG 36 3.898 -11.119 -0.452 317 HE ARG 36 HE ARG 36 6.504 -10.956 -1.666 318 1HH1 ARG 36 1HH1 ARG 36 4.307 -12.984 0.152 319 2HH1 ARG 36 2HH1 ARG 36 5.570 -13.965 0.812 320 1HH2 ARG 36 1HH2 ARG 36 8.156 -12.250 -0.793 321 2HH2 ARG 36 2HH2 ARG 36 7.753 -13.551 0.277 322 H SER 37 H SER 37 -1.069 -12.448 -3.865 323 HA SER 37 HA SER 37 -3.065 -13.292 -3.183 324 1HB SER 37 2HB SER 37 -1.722 -15.462 -3.701 325 2HB SER 37 1HB SER 37 -1.640 -15.636 -1.948 326 HG SER 37 HG SER 37 -3.870 -15.705 -1.872 327 H LEU 38 H LEU 38 -1.591 -11.531 -1.484 328 HA LEU 38 HA LEU 38 -2.611 -12.348 1.165 329 1HB LEU 38 2HB LEU 38 -0.039 -12.146 0.682 330 2HB LEU 38 1HB LEU 38 -0.350 -10.430 0.852 331 HG LEU 38 HG LEU 38 -1.351 -10.934 3.107 332 1HD1 LEU 38 1HD1 LEU 38 -1.834 -13.272 2.831 333 2HD1 LEU 38 2HD1 LEU 38 -0.659 -13.079 4.132 334 3HD1 LEU 38 3HD1 LEU 38 -0.130 -13.628 2.542 335 1HD2 LEU 38 1HD2 LEU 38 0.826 -11.165 4.198 336 2HD2 LEU 38 2HD2 LEU 38 0.889 -10.018 2.861 337 3HD2 LEU 38 3HD2 LEU 38 1.543 -11.644 2.659 338 H GLY 39 H GLY 39 -3.916 -10.822 -1.027 339 1HA GLY 39 2HA GLY 39 -3.943 -8.056 -0.346 340 2HA GLY 39 1HA GLY 39 -5.123 -8.891 -1.345 341 H HIS 40 H HIS 40 -5.237 -10.707 1.317 342 HA HIS 40 HA HIS 40 -7.551 -9.302 2.314 343 1HB HIS 40 2HB HIS 40 -8.009 -11.263 3.613 344 2HB HIS 40 1HB HIS 40 -7.470 -11.810 2.031 345 HD1 HIS 40 1HD HIS 40 -7.276 -13.117 5.097 346 HD2 HIS 40 2HD HIS 40 -4.236 -11.849 2.564 347 HE1 HIS 40 1HE HIS 40 -5.219 -14.354 5.842 348 HE2 HIS 40 2HE HIS 40 -3.374 -13.502 4.354 349 H ILE 41 H ILE 41 -4.252 -9.911 3.244 350 HA ILE 41 HA ILE 41 -4.370 -9.167 5.946 351 HB ILE 41 HB ILE 41 -2.458 -10.261 4.584 352 1HG1 ILE 41 2HG1 ILE 41 -0.759 -9.424 6.203 353 2HG1 ILE 41 1HG1 ILE 41 -1.922 -8.207 6.722 354 1HG2 ILE 41 1HG2 ILE 41 -1.183 -7.598 4.422 355 2HG2 ILE 41 2HG2 ILE 41 -2.346 -8.016 3.167 356 3HG2 ILE 41 3HG2 ILE 41 -0.937 -9.037 3.434 357 1HD1 ILE 41 1HD1 ILE 41 -2.540 -11.137 6.777 358 2HD1 ILE 41 2HD1 ILE 41 -3.362 -9.824 7.618 359 3HD1 ILE 41 3HD1 ILE 41 -1.742 -10.311 8.115 360 H ILE 42 H ILE 42 -4.208 -7.341 2.991 361 HA ILE 42 HA ILE 42 -3.741 -4.806 4.295 362 HB ILE 42 HB ILE 42 -4.153 -3.873 1.975 363 1HG1 ILE 42 2HG1 ILE 42 -4.078 -6.793 1.198 364 2HG1 ILE 42 1HG1 ILE 42 -5.485 -5.742 1.095 365 1HG2 ILE 42 1HG2 ILE 42 -1.989 -4.506 1.157 366 2HG2 ILE 42 2HG2 ILE 42 -1.976 -5.923 2.207 367 3HG2 ILE 42 3HG2 ILE 42 -1.930 -4.306 2.909 368 1HD1 ILE 42 1HD1 ILE 42 -3.077 -5.877 -0.612 369 2HD1 ILE 42 2HD1 ILE 42 -3.820 -4.298 -0.366 370 3HD1 ILE 42 3HD1 ILE 42 -4.767 -5.622 -1.046 371 H SER 43 H SER 43 -5.216 -3.041 4.264 372 HA SER 43 HA SER 43 -7.921 -3.842 4.754 373 1HB SER 43 2HB SER 43 -6.678 -1.985 5.975 374 2HB SER 43 1HB SER 43 -6.908 -1.004 4.529 375 HG SER 43 HG SER 43 -9.195 -1.408 4.798 376 H VAL 44 H VAL 44 -7.912 -4.746 2.442 377 HA VAL 44 HA VAL 44 -8.966 -2.692 0.612 378 HB VAL 44 HB VAL 44 -7.545 -5.235 -0.185 379 1HG1 VAL 44 1HG1 VAL 44 -7.391 -3.870 -2.375 380 2HG1 VAL 44 2HG1 VAL 44 -8.737 -2.951 -1.701 381 3HG1 VAL 44 3HG1 VAL 44 -8.902 -4.686 -1.976 382 1HG2 VAL 44 1HG2 VAL 44 -5.934 -3.827 0.852 383 2HG2 VAL 44 2HG2 VAL 44 -6.543 -2.407 0.006 384 3HG2 VAL 44 3HG2 VAL 44 -5.720 -3.681 -0.891 385 H SER 45 H SER 45 -10.677 -3.328 -0.780 386 HA SER 45 HA SER 45 -12.160 -5.695 0.164 387 1HB SER 45 2HB SER 45 -14.222 -4.530 -0.254 388 2HB SER 45 1HB SER 45 -13.201 -3.468 0.716 389 HG SER 45 HG SER 45 -14.212 -3.082 -1.764 390 H SER 46 H SER 46 -11.284 -7.075 -1.383 391 HA SER 46 HA SER 46 -11.175 -6.492 -4.150 392 1HB SER 46 2HB SER 46 -11.098 -9.107 -4.274 393 2HB SER 46 1HB SER 46 -9.759 -8.233 -3.531 394 HG SER 46 HG SER 46 -10.385 -9.923 -2.189 Start of MODEL 5 1 1H MET 1 1HT MET 1 11.713 -3.106 -4.366 2 2H MET 1 2HT MET 1 10.025 -2.986 -4.080 3 3H MET 1 3HT MET 1 10.620 -4.070 -5.269 4 HA MET 1 HA MET 1 11.208 -4.239 -2.394 5 1HB MET 1 2HB MET 1 8.817 -4.803 -3.794 6 2HB MET 1 1HB MET 1 9.561 -6.358 -3.452 7 1HG MET 1 2HG MET 1 8.410 -6.141 -1.533 8 2HG MET 1 1HG MET 1 9.836 -5.223 -1.053 9 1HE MET 1 1HE MET 1 9.225 -1.799 -1.233 10 2HE MET 1 2HE MET 1 10.101 -3.190 -0.594 11 3HE MET 1 3HE MET 1 8.796 -2.463 0.344 12 H ARG 2 H ARG 2 13.152 -5.169 -2.257 13 HA ARG 2 HA ARG 2 14.153 -6.880 -4.361 14 1HB ARG 2 2HB ARG 2 15.265 -5.583 -1.937 15 2HB ARG 2 1HB ARG 2 16.038 -7.078 -2.446 16 1HG ARG 2 2HG ARG 2 15.957 -5.821 -4.802 17 2HG ARG 2 1HG ARG 2 16.013 -4.420 -3.730 18 1HD ARG 2 2HD ARG 2 17.937 -5.835 -2.589 19 2HD ARG 2 1HD ARG 2 18.038 -6.545 -4.199 20 HE ARG 2 HE ARG 2 18.046 -3.874 -4.675 21 1HH1 ARG 2 1HH1 ARG 2 19.986 -5.960 -2.644 22 2HH1 ARG 2 2HH1 ARG 2 21.400 -4.970 -2.771 23 1HH2 ARG 2 1HH2 ARG 2 19.908 -2.579 -4.837 24 2HH2 ARG 2 2HH2 ARG 2 21.357 -3.054 -4.014 25 H LYS 3 H LYS 3 13.465 -7.244 -0.884 26 HA LYS 3 HA LYS 3 12.303 -9.780 -1.117 27 1HB LYS 3 2HB LYS 3 14.566 -10.515 -1.725 28 2HB LYS 3 1HB LYS 3 15.195 -9.834 -0.230 29 1HG LYS 3 2HG LYS 3 14.035 -11.439 1.085 30 2HG LYS 3 1HG LYS 3 13.121 -12.009 -0.314 31 1HD LYS 3 2HD LYS 3 14.734 -13.629 -0.211 32 2HD LYS 3 1HD LYS 3 15.540 -12.467 -1.268 33 1HE LYS 3 2HE LYS 3 16.409 -11.497 1.020 34 2HE LYS 3 1HE LYS 3 16.069 -13.132 1.589 35 1HZ LYS 3 1HZ LYS 3 18.382 -12.447 0.528 36 2HZ LYS 3 2HZ LYS 3 17.579 -12.884 -0.894 37 3HZ LYS 3 3HZ LYS 3 17.740 -14.004 0.364 38 H LEU 4 H LEU 4 10.852 -9.177 0.405 39 HA LEU 4 HA LEU 4 11.851 -8.917 3.146 40 1HB LEU 4 2HB LEU 4 9.592 -7.160 2.301 41 2HB LEU 4 1HB LEU 4 10.705 -6.969 3.638 42 HG LEU 4 HG LEU 4 11.500 -6.598 0.750 43 1HD1 LEU 4 1HD1 LEU 4 9.717 -5.002 1.690 44 2HD1 LEU 4 2HD1 LEU 4 11.153 -4.307 0.937 45 3HD1 LEU 4 3HD1 LEU 4 11.021 -4.371 2.695 46 1HD2 LEU 4 1HD2 LEU 4 12.963 -5.282 2.933 47 2HD2 LEU 4 2HD2 LEU 4 13.564 -6.093 1.487 48 3HD2 LEU 4 3HD2 LEU 4 13.092 -7.040 2.899 49 H SER 5 H SER 5 10.489 -9.715 4.722 50 HA SER 5 HA SER 5 8.645 -11.719 3.929 51 1HB SER 5 2HB SER 5 8.894 -10.516 6.688 52 2HB SER 5 1HB SER 5 8.324 -12.131 6.265 53 HG SER 5 HG SER 5 10.513 -12.439 5.382 54 H ASP 6 H ASP 6 6.371 -11.823 4.769 55 HA ASP 6 HA ASP 6 4.853 -9.712 3.718 56 1HB ASP 6 2HB ASP 6 3.599 -11.404 5.842 57 2HB ASP 6 1HB ASP 6 2.949 -10.869 4.303 58 H GLU 7 H GLU 7 6.289 -10.147 6.834 59 HA GLU 7 HA GLU 7 4.635 -8.247 8.194 60 1HB GLU 7 2HB GLU 7 6.802 -10.030 8.867 61 2HB GLU 7 1HB GLU 7 7.101 -8.438 9.549 62 1HG GLU 7 2HG GLU 7 4.593 -8.668 10.312 63 2HG GLU 7 1HG GLU 7 4.943 -10.388 10.145 64 H LEU 8 H LEU 8 7.707 -8.175 6.513 65 HA LEU 8 HA LEU 8 8.201 -5.406 7.159 66 1HB LEU 8 2HB LEU 8 9.599 -7.504 5.579 67 2HB LEU 8 1HB LEU 8 9.990 -5.821 5.275 68 HG LEU 8 HG LEU 8 11.517 -6.906 6.885 69 1HD1 LEU 8 1HD1 LEU 8 11.109 -4.471 6.895 70 2HD1 LEU 8 2HD1 LEU 8 11.546 -5.110 8.480 71 3HD1 LEU 8 3HD1 LEU 8 9.864 -4.718 8.120 72 1HD2 LEU 8 1HD2 LEU 8 9.860 -8.402 7.925 73 2HD2 LEU 8 2HD2 LEU 8 9.108 -7.001 8.689 74 3HD2 LEU 8 3HD2 LEU 8 10.758 -7.458 9.113 75 H LEU 9 H LEU 9 6.881 -7.274 4.521 76 HA LEU 9 HA LEU 9 6.821 -5.116 2.645 77 1HB LEU 9 2HB LEU 9 6.906 -7.387 1.837 78 2HB LEU 9 1HB LEU 9 5.438 -7.795 2.704 79 HG LEU 9 HG LEU 9 4.313 -6.011 1.201 80 1HD1 LEU 9 1HD1 LEU 9 5.414 -5.863 -1.035 81 2HD1 LEU 9 2HD1 LEU 9 6.868 -6.544 -0.302 82 3HD1 LEU 9 3HD1 LEU 9 6.246 -4.989 0.251 83 1HD2 LEU 9 1HD2 LEU 9 4.089 -7.721 -0.639 84 2HD2 LEU 9 2HD2 LEU 9 3.720 -8.296 0.986 85 3HD2 LEU 9 3HD2 LEU 9 5.264 -8.700 0.237 86 H ILE 10 H ILE 10 4.457 -6.645 4.783 87 HA ILE 10 HA ILE 10 2.307 -5.000 3.940 88 HB ILE 10 HB ILE 10 2.643 -6.690 6.413 89 1HG1 ILE 10 2HG1 ILE 10 0.844 -7.175 4.054 90 2HG1 ILE 10 1HG1 ILE 10 2.534 -7.668 4.027 91 1HG2 ILE 10 1HG2 ILE 10 0.157 -5.303 5.403 92 2HG2 ILE 10 2HG2 ILE 10 1.027 -4.928 6.891 93 3HG2 ILE 10 3HG2 ILE 10 0.213 -6.482 6.714 94 1HD1 ILE 10 1HD1 ILE 10 2.172 -9.399 5.381 95 2HD1 ILE 10 2HD1 ILE 10 0.498 -9.201 4.879 96 3HD1 ILE 10 3HD1 ILE 10 1.046 -8.504 6.398 97 H GLU 11 H GLU 11 4.689 -4.786 6.521 98 HA GLU 11 HA GLU 11 3.552 -2.615 7.904 99 1HB GLU 11 2HB GLU 11 6.211 -3.895 7.762 100 2HB GLU 11 1HB GLU 11 6.209 -2.225 8.295 101 1HG GLU 11 2HG GLU 11 6.111 -3.895 10.131 102 2HG GLU 11 1HG GLU 11 4.792 -2.727 10.136 103 H SER 12 H SER 12 5.344 -2.833 4.925 104 HA SER 12 HA SER 12 6.049 -0.065 4.770 105 1HB SER 12 2HB SER 12 5.832 -2.193 2.621 106 2HB SER 12 1HB SER 12 6.495 -0.578 2.364 107 HG SER 12 HG SER 12 8.215 -1.069 3.591 108 H TYR 13 H TYR 13 3.473 -2.071 3.389 109 HA TYR 13 HA TYR 13 2.157 0.003 1.994 110 1HB TYR 13 2HB TYR 13 1.772 -2.428 1.605 111 2HB TYR 13 1HB TYR 13 0.949 -2.518 3.155 112 HD1 TYR 13 1HD TYR 13 -1.352 -2.302 3.197 113 HD2 TYR 13 2HD TYR 13 0.811 -0.609 -0.053 114 HE1 TYR 13 1HE TYR 13 -3.472 -1.685 2.116 115 HE2 TYR 13 2HE TYR 13 -1.303 0.015 -1.143 116 HH TYR 13 HH TYR 13 -3.880 -1.055 -0.912 117 H PHE 14 H PHE 14 1.898 -1.261 5.258 118 HA PHE 14 HA PHE 14 -0.364 0.309 5.997 119 1HB PHE 14 2HB PHE 14 1.675 -1.224 7.589 120 2HB PHE 14 1HB PHE 14 0.339 -0.375 8.340 121 HD1 PHE 14 1HD PHE 14 -0.912 -1.555 5.307 122 HD2 PHE 14 2HD PHE 14 0.291 -2.941 9.152 123 HE1 PHE 14 1HE PHE 14 -2.311 -3.552 5.023 124 HE2 PHE 14 2HE PHE 14 -1.111 -4.941 8.868 125 HZ PHE 14 HZ PHE 14 -2.413 -5.256 6.800 126 H LYS 15 H LYS 15 3.127 0.621 6.450 127 HA LYS 15 HA LYS 15 3.049 2.967 8.017 128 1HB LYS 15 2HB LYS 15 5.144 1.594 6.380 129 2HB LYS 15 1HB LYS 15 5.454 3.212 6.988 130 1HG LYS 15 2HG LYS 15 4.982 2.391 9.279 131 2HG LYS 15 1HG LYS 15 4.829 0.762 8.621 132 1HD LYS 15 2HD LYS 15 7.285 2.157 7.831 133 2HD LYS 15 1HD LYS 15 7.142 1.867 9.565 134 1HE LYS 15 2HE LYS 15 6.783 -0.503 9.161 135 2HE LYS 15 1HE LYS 15 6.847 -0.232 7.419 136 1HZ LYS 15 1HZ LYS 15 8.945 -1.003 8.799 137 2HZ LYS 15 2HZ LYS 15 9.133 0.666 8.996 138 3HZ LYS 15 3HZ LYS 15 9.086 -0.002 7.443 139 H ALA 16 H ALA 16 3.509 2.447 4.539 140 HA ALA 16 HA ALA 16 3.781 5.156 3.846 141 1HB ALA 16 1HB ALA 16 3.042 2.706 2.289 142 2HB ALA 16 2HB ALA 16 4.542 3.634 2.252 143 3HB ALA 16 3HB ALA 16 3.074 4.299 1.536 144 H THR 17 H THR 17 0.942 3.130 4.267 145 HA THR 17 HA THR 17 -0.884 4.918 3.036 146 HB THR 17 HB THR 17 -2.590 3.634 4.454 147 HG1 THR 17 1HG THR 17 -0.989 2.980 6.030 148 1HG2 THR 17 1HG2 THR 17 -0.964 2.662 2.255 149 2HG2 THR 17 2HG2 THR 17 -2.708 2.578 2.506 150 3HG2 THR 17 3HG2 THR 17 -1.653 1.368 3.235 151 H GLU 18 H GLU 18 0.462 4.647 6.251 152 HA GLU 18 HA GLU 18 -1.363 6.504 7.444 153 1HB GLU 18 2HB GLU 18 0.922 4.886 8.308 154 2HB GLU 18 1HB GLU 18 0.804 6.438 9.127 155 1HG GLU 18 2HG GLU 18 -0.356 4.838 10.437 156 2HG GLU 18 1HG GLU 18 -1.559 5.882 9.682 157 H MET 19 H MET 19 2.017 6.681 6.395 158 HA MET 19 HA MET 19 2.205 9.483 6.992 159 1HB MET 19 2HB MET 19 4.451 9.317 6.166 160 2HB MET 19 1HB MET 19 4.122 7.920 7.172 161 1HG MET 19 2HG MET 19 3.904 6.513 5.271 162 2HG MET 19 1HG MET 19 3.949 7.889 4.174 163 1HE MET 19 1HE MET 19 5.670 5.066 4.432 164 2HE MET 19 2HE MET 19 6.039 5.257 6.144 165 3HE MET 19 3HE MET 19 7.338 5.294 4.952 166 H ASN 20 H ASN 20 1.041 7.686 4.347 167 HA ASN 20 HA ASN 20 0.143 8.335 2.359 168 1HB ASN 20 2HB ASN 20 1.055 11.157 2.896 169 2HB ASN 20 1HB ASN 20 -0.238 10.622 1.830 170 1HD2 ASN 20 1HD2 ASN 20 -1.889 9.187 3.102 171 2HD2 ASN 20 2HD2 ASN 20 -2.464 9.898 4.568 172 H LEU 21 H LEU 21 2.748 7.340 2.649 173 HA LEU 21 HA LEU 21 4.782 8.655 1.301 174 1HB LEU 21 2HB LEU 21 4.669 6.349 2.548 175 2HB LEU 21 1HB LEU 21 4.358 5.712 0.948 176 HG LEU 21 HG LEU 21 6.752 7.443 1.413 177 1HD1 LEU 21 1HD1 LEU 21 6.276 4.790 2.554 178 2HD1 LEU 21 2HD1 LEU 21 7.461 6.023 2.986 179 3HD1 LEU 21 3HD1 LEU 21 7.773 4.936 1.634 180 1HD2 LEU 21 1HD2 LEU 21 7.252 5.230 -0.273 181 2HD2 LEU 21 2HD2 LEU 21 7.102 6.926 -0.725 182 3HD2 LEU 21 3HD2 LEU 21 5.682 5.883 -0.739 183 H ASN 22 H ASN 22 5.622 8.255 -0.897 184 HA ASN 22 HA ASN 22 4.030 9.024 -2.939 185 1HB ASN 22 2HB ASN 22 6.584 8.571 -2.874 186 2HB ASN 22 1HB ASN 22 6.156 6.977 -3.489 187 1HD2 ASN 22 1HD2 ASN 22 7.470 9.566 -4.553 188 2HD2 ASN 22 2HD2 ASN 22 6.734 9.759 -6.103 189 H ARG 23 H ARG 23 2.527 8.215 -4.267 190 HA ARG 23 HA ARG 23 1.099 5.921 -3.674 191 1HB ARG 23 2HB ARG 23 0.499 7.961 -5.164 192 2HB ARG 23 1HB ARG 23 1.186 7.003 -6.468 193 1HG ARG 23 2HG ARG 23 -1.070 6.515 -6.586 194 2HG ARG 23 1HG ARG 23 -0.419 5.156 -5.667 195 1HD ARG 23 2HD ARG 23 -2.326 5.773 -4.475 196 2HD ARG 23 1HD ARG 23 -1.008 6.538 -3.588 197 HE ARG 23 HE ARG 23 -1.950 8.553 -4.061 198 1HH1 ARG 23 1HH1 ARG 23 -3.099 6.256 -6.438 199 2HH1 ARG 23 2HH1 ARG 23 -4.171 7.390 -7.189 200 1HH2 ARG 23 1HH2 ARG 23 -3.360 10.033 -5.054 201 2HH2 ARG 23 2HH2 ARG 23 -4.319 9.530 -6.406 202 H ASP 24 H ASP 24 3.924 6.275 -5.682 203 HA ASP 24 HA ASP 24 3.650 3.851 -7.107 204 1HB ASP 24 2HB ASP 24 5.900 5.742 -6.564 205 2HB ASP 24 1HB ASP 24 6.282 4.150 -7.212 206 H PHE 25 H PHE 25 5.041 4.644 -3.986 207 HA PHE 25 HA PHE 25 6.229 2.071 -3.580 208 1HB PHE 25 2HB PHE 25 6.772 4.370 -2.428 209 2HB PHE 25 1HB PHE 25 5.480 3.908 -1.326 210 HD1 PHE 25 1HD PHE 25 6.516 3.396 0.673 211 HD2 PHE 25 2HD PHE 25 8.098 1.818 -2.949 212 HE1 PHE 25 1HE PHE 25 8.106 2.032 1.964 213 HE2 PHE 25 2HE PHE 25 9.688 0.451 -1.665 214 HZ PHE 25 HZ PHE 25 9.694 0.557 0.796 215 H ILE 26 H ILE 26 3.275 3.712 -2.581 216 HA ILE 26 HA ILE 26 2.220 1.661 -0.971 217 HB ILE 26 HB ILE 26 0.825 3.827 -2.555 218 1HG1 ILE 26 2HG1 ILE 26 1.606 3.624 0.361 219 2HG1 ILE 26 1HG1 ILE 26 2.342 4.675 -0.845 220 1HG2 ILE 26 1HG2 ILE 26 -1.063 3.419 -0.905 221 2HG2 ILE 26 2HG2 ILE 26 -0.269 1.892 -0.520 222 3HG2 ILE 26 3HG2 ILE 26 -0.847 2.197 -2.158 223 1HD1 ILE 26 1HD1 ILE 26 0.306 5.335 0.885 224 2HD1 ILE 26 2HD1 ILE 26 -0.522 5.071 -0.650 225 3HD1 ILE 26 3HD1 ILE 26 0.795 6.239 -0.547 226 H GLU 27 H GLU 27 1.810 2.412 -4.423 227 HA GLU 27 HA GLU 27 0.067 0.215 -4.913 228 1HB GLU 27 2HB GLU 27 0.702 2.451 -6.311 229 2HB GLU 27 1HB GLU 27 1.671 1.261 -7.165 230 1HG GLU 27 2HG GLU 27 -0.196 0.998 -8.374 231 2HG GLU 27 1HG GLU 27 -0.668 -0.054 -7.040 232 H LEU 28 H LEU 28 3.517 0.697 -4.984 233 HA LEU 28 HA LEU 28 4.190 -1.678 -6.370 234 1HB LEU 28 2HB LEU 28 5.872 -0.065 -6.336 235 2HB LEU 28 1HB LEU 28 5.643 0.286 -4.638 236 HG LEU 28 HG LEU 28 6.753 -2.376 -5.429 237 1HD1 LEU 28 1HD1 LEU 28 8.648 -0.150 -4.932 238 2HD1 LEU 28 2HD1 LEU 28 7.916 -0.258 -6.533 239 3HD1 LEU 28 3HD1 LEU 28 8.845 -1.614 -5.895 240 1HD2 LEU 28 1HD2 LEU 28 8.082 -1.752 -3.277 241 2HD2 LEU 28 2HD2 LEU 28 6.405 -2.282 -3.147 242 3HD2 LEU 28 3HD2 LEU 28 6.796 -0.565 -3.053 243 H ILE 29 H ILE 29 3.995 -0.868 -2.918 244 HA ILE 29 HA ILE 29 4.700 -3.473 -2.024 245 HB ILE 29 HB ILE 29 3.125 -1.375 -0.522 246 1HG1 ILE 29 2HG1 ILE 29 6.050 -1.780 -0.114 247 2HG1 ILE 29 1HG1 ILE 29 5.540 -0.882 -1.539 248 1HG2 ILE 29 1HG2 ILE 29 3.763 -2.502 1.458 249 2HG2 ILE 29 2HG2 ILE 29 4.893 -3.540 0.588 250 3HG2 ILE 29 3HG2 ILE 29 3.156 -3.739 0.357 251 1HD1 ILE 29 1HD1 ILE 29 6.075 0.541 0.407 252 2HD1 ILE 29 2HD1 ILE 29 4.732 -0.202 1.275 253 3HD1 ILE 29 3HD1 ILE 29 4.425 0.745 -0.180 254 H GLU 30 H GLU 30 1.714 -1.888 -2.910 255 HA GLU 30 HA GLU 30 0.007 -3.953 -1.874 256 1HB GLU 30 2HB GLU 30 -0.554 -1.455 -2.364 257 2HB GLU 30 1HB GLU 30 -0.816 -2.010 -4.011 258 1HG GLU 30 2HG GLU 30 -2.330 -3.795 -2.822 259 2HG GLU 30 1HG GLU 30 -2.367 -2.582 -1.543 260 H ASN 31 H ASN 31 1.575 -3.211 -4.909 261 HA ASN 31 HA ASN 31 0.125 -5.045 -6.514 262 1HB ASN 31 2HB ASN 31 2.673 -3.508 -6.798 263 2HB ASN 31 1HB ASN 31 2.356 -4.822 -7.925 264 1HD2 ASN 31 1HD2 ASN 31 2.591 -2.445 -9.017 265 2HD2 ASN 31 2HD2 ASN 31 1.061 -1.793 -9.486 266 H GLU 32 H GLU 32 2.869 -5.350 -4.386 267 HA GLU 32 HA GLU 32 3.608 -7.962 -5.372 268 1HB GLU 32 2HB GLU 32 5.290 -6.439 -4.382 269 2HB GLU 32 1HB GLU 32 4.447 -6.526 -2.841 270 1HG GLU 32 2HG GLU 32 6.424 -7.967 -2.911 271 2HG GLU 32 1HG GLU 32 4.937 -8.881 -2.659 272 H ILE 33 H ILE 33 1.996 -6.603 -2.547 273 HA ILE 33 HA ILE 33 1.451 -9.038 -1.235 274 HB ILE 33 HB ILE 33 -0.036 -6.402 -1.123 275 1HG1 ILE 33 2HG1 ILE 33 1.920 -7.433 0.914 276 2HG1 ILE 33 1HG1 ILE 33 2.473 -6.549 -0.503 277 1HG2 ILE 33 1HG2 ILE 33 -1.031 -8.719 -0.167 278 2HG2 ILE 33 2HG2 ILE 33 -1.317 -7.155 0.587 279 3HG2 ILE 33 3HG2 ILE 33 -0.055 -8.215 1.209 280 1HD1 ILE 33 1HD1 ILE 33 0.512 -5.517 1.531 281 2HD1 ILE 33 2HD1 ILE 33 1.154 -4.628 0.150 282 3HD1 ILE 33 3HD1 ILE 33 2.226 -5.114 1.463 283 H LYS 34 H LYS 34 -0.143 -7.276 -3.818 284 HA LYS 34 HA LYS 34 -2.589 -8.731 -3.744 285 1HB LYS 34 2HB LYS 34 -1.305 -6.747 -5.505 286 2HB LYS 34 1HB LYS 34 -2.383 -7.860 -6.335 287 1HG LYS 34 2HG LYS 34 -4.133 -7.267 -4.628 288 2HG LYS 34 1HG LYS 34 -3.048 -5.987 -4.082 289 1HD LYS 34 2HD LYS 34 -3.030 -5.429 -6.681 290 2HD LYS 34 1HD LYS 34 -4.604 -6.224 -6.600 291 1HE LYS 34 2HE LYS 34 -5.292 -4.682 -4.832 292 2HE LYS 34 1HE LYS 34 -3.716 -3.895 -4.900 293 1HZ LYS 34 1HZ LYS 34 -5.228 -4.079 -7.391 294 2HZ LYS 34 2HZ LYS 34 -4.222 -2.843 -6.826 295 3HZ LYS 34 3HZ LYS 34 -5.796 -2.991 -6.224 296 H ARG 35 H ARG 35 0.355 -8.990 -5.722 297 HA ARG 35 HA ARG 35 -0.536 -11.288 -7.155 298 1HB ARG 35 2HB ARG 35 1.476 -9.502 -7.520 299 2HB ARG 35 1HB ARG 35 2.376 -10.865 -6.869 300 1HG ARG 35 2HG ARG 35 0.446 -11.465 -9.024 301 2HG ARG 35 1HG ARG 35 1.882 -10.541 -9.472 302 1HD ARG 35 2HD ARG 35 3.251 -12.307 -8.325 303 2HD ARG 35 1HD ARG 35 1.772 -13.254 -8.166 304 HE ARG 35 HE ARG 35 2.160 -12.478 -10.858 305 1HH1 ARG 35 1HH1 ARG 35 3.384 -14.710 -8.457 306 2HH1 ARG 35 2HH1 ARG 35 3.901 -15.874 -9.629 307 1HH2 ARG 35 1HH2 ARG 35 2.843 -14.014 -12.390 308 2HH2 ARG 35 2HH2 ARG 35 3.596 -15.480 -11.857 309 H ARG 36 H ARG 36 0.959 -10.781 -4.073 310 HA ARG 36 HA ARG 36 1.941 -13.471 -3.798 311 1HB ARG 36 2HB ARG 36 1.848 -11.031 -2.085 312 2HB ARG 36 1HB ARG 36 2.098 -12.586 -1.308 313 1HG ARG 36 2HG ARG 36 4.008 -12.947 -2.917 314 2HG ARG 36 1HG ARG 36 3.824 -11.252 -3.372 315 1HD ARG 36 2HD ARG 36 4.576 -10.485 -1.349 316 2HD ARG 36 1HD ARG 36 4.040 -11.924 -0.483 317 HE ARG 36 HE ARG 36 6.188 -12.435 -2.315 318 1HH1 ARG 36 1HH1 ARG 36 5.410 -11.361 0.923 319 2HH1 ARG 36 2HH1 ARG 36 6.952 -11.807 1.570 320 1HH2 ARG 36 1HH2 ARG 36 8.210 -13.017 -1.456 321 2HH2 ARG 36 2HH2 ARG 36 8.540 -12.745 0.222 322 H SER 37 H SER 37 -1.153 -12.406 -3.876 323 HA SER 37 HA SER 37 -3.135 -13.236 -3.139 324 1HB SER 37 2HB SER 37 -1.835 -15.422 -3.672 325 2HB SER 37 1HB SER 37 -1.690 -15.579 -1.922 326 HG SER 37 HG SER 37 -3.944 -15.761 -3.553 327 H LEU 38 H LEU 38 -1.629 -11.461 -1.502 328 HA LEU 38 HA LEU 38 -2.577 -12.243 1.186 329 1HB LEU 38 2HB LEU 38 -0.018 -12.037 0.633 330 2HB LEU 38 1HB LEU 38 -0.332 -10.320 0.784 331 HG LEU 38 HG LEU 38 -1.307 -10.847 3.077 332 1HD1 LEU 38 1HD1 LEU 38 -0.052 -12.996 3.953 333 2HD1 LEU 38 2HD1 LEU 38 -0.239 -13.499 2.273 334 3HD1 LEU 38 3HD1 LEU 38 -1.660 -13.094 3.236 335 1HD2 LEU 38 1HD2 LEU 38 0.957 -10.985 4.095 336 2HD2 LEU 38 2HD2 LEU 38 0.814 -9.747 2.847 337 3HD2 LEU 38 3HD2 LEU 38 1.616 -11.276 2.485 338 H GLY 39 H GLY 39 -3.928 -10.754 -1.017 339 1HA GLY 39 2HA GLY 39 -3.967 -7.978 -0.352 340 2HA GLY 39 1HA GLY 39 -5.132 -8.824 -1.360 341 H HIS 40 H HIS 40 -5.219 -10.623 1.331 342 HA HIS 40 HA HIS 40 -7.567 -9.241 2.312 343 1HB HIS 40 2HB HIS 40 -7.749 -11.247 3.829 344 2HB HIS 40 1HB HIS 40 -7.770 -11.628 2.110 345 HD1 HIS 40 1HD HIS 40 -6.355 -13.561 1.536 346 HD2 HIS 40 2HD HIS 40 -4.903 -11.531 4.858 347 HE1 HIS 40 1HE HIS 40 -4.332 -14.853 2.282 348 HE2 HIS 40 2HE HIS 40 -3.516 -13.652 4.340 349 H ILE 41 H ILE 41 -4.271 -9.888 3.251 350 HA ILE 41 HA ILE 41 -4.402 -9.183 5.961 351 HB ILE 41 HB ILE 41 -2.479 -10.262 4.575 352 1HG1 ILE 41 2HG1 ILE 41 -0.830 -9.601 6.261 353 2HG1 ILE 41 1HG1 ILE 41 -1.859 -8.257 6.746 354 1HG2 ILE 41 1HG2 ILE 41 -0.908 -8.989 3.526 355 2HG2 ILE 41 2HG2 ILE 41 -1.227 -7.573 4.524 356 3HG2 ILE 41 3HG2 ILE 41 -2.332 -8.000 3.220 357 1HD1 ILE 41 1HD1 ILE 41 -3.450 -9.676 7.684 358 2HD1 ILE 41 2HD1 ILE 41 -1.904 -10.390 8.145 359 3HD1 ILE 41 3HD1 ILE 41 -2.835 -11.084 6.817 360 H ILE 42 H ILE 42 -4.195 -7.311 3.037 361 HA ILE 42 HA ILE 42 -3.687 -4.804 4.355 362 HB ILE 42 HB ILE 42 -4.165 -3.838 2.057 363 1HG1 ILE 42 2HG1 ILE 42 -4.122 -6.747 1.241 364 2HG1 ILE 42 1HG1 ILE 42 -5.538 -5.700 1.213 365 1HG2 ILE 42 1HG2 ILE 42 -1.991 -5.895 2.273 366 2HG2 ILE 42 2HG2 ILE 42 -1.919 -4.239 2.877 367 3HG2 ILE 42 3HG2 ILE 42 -2.034 -4.542 1.143 368 1HD1 ILE 42 1HD1 ILE 42 -3.204 -5.801 -0.596 369 2HD1 ILE 42 2HD1 ILE 42 -3.929 -4.224 -0.285 370 3HD1 ILE 42 3HD1 ILE 42 -4.910 -5.529 -0.951 371 H SER 43 H SER 43 -5.125 -2.980 4.288 372 HA SER 43 HA SER 43 -7.827 -3.720 4.914 373 1HB SER 43 2HB SER 43 -6.971 -1.966 6.252 374 2HB SER 43 1HB SER 43 -6.339 -1.097 4.854 375 HG SER 43 HG SER 43 -8.407 -0.360 5.884 376 H VAL 44 H VAL 44 -7.891 -4.651 2.603 377 HA VAL 44 HA VAL 44 -8.988 -2.605 0.791 378 HB VAL 44 HB VAL 44 -7.601 -5.165 -0.015 379 1HG1 VAL 44 1HG1 VAL 44 -8.402 -2.803 -1.700 380 2HG1 VAL 44 2HG1 VAL 44 -9.316 -4.308 -1.588 381 3HG1 VAL 44 3HG1 VAL 44 -7.683 -4.314 -2.254 382 1HG2 VAL 44 1HG2 VAL 44 -5.944 -3.757 0.916 383 2HG2 VAL 44 2HG2 VAL 44 -6.607 -2.333 0.117 384 3HG2 VAL 44 3HG2 VAL 44 -5.821 -3.592 -0.835 385 H SER 45 H SER 45 -10.852 -3.121 -0.357 386 HA SER 45 HA SER 45 -12.336 -5.416 0.715 387 1HB SER 45 2HB SER 45 -13.120 -2.829 0.584 388 2HB SER 45 1HB SER 45 -13.744 -3.414 -0.958 389 HG SER 45 HG SER 45 -15.204 -3.637 0.861 390 H SER 46 H SER 46 -11.471 -7.021 -0.601 391 HA SER 46 HA SER 46 -12.426 -6.943 -3.379 392 1HB SER 46 2HB SER 46 -10.011 -6.480 -3.409 393 2HB SER 46 1HB SER 46 -9.713 -7.959 -2.496 394 HG SER 46 HG SER 46 -10.147 -7.624 -5.159 Start of MODEL 6 1 1H MET 1 1HT MET 1 11.296 -3.033 -4.305 2 2H MET 1 2HT MET 1 9.675 -2.886 -3.763 3 3H MET 1 3HT MET 1 10.070 -4.014 -4.994 4 HA MET 1 HA MET 1 11.108 -4.096 -2.245 5 1HB MET 1 2HB MET 1 8.534 -4.793 -3.337 6 2HB MET 1 1HB MET 1 9.348 -6.248 -2.781 7 1HG MET 1 2HG MET 1 8.384 -5.691 -0.834 8 2HG MET 1 1HG MET 1 9.810 -4.666 -0.677 9 1HE MET 1 1HE MET 1 9.185 -2.861 0.766 10 2HE MET 1 2HE MET 1 8.277 -1.462 0.193 11 3HE MET 1 3HE MET 1 9.721 -1.992 -0.672 12 H ARG 2 H ARG 2 12.954 -5.193 -2.245 13 HA ARG 2 HA ARG 2 13.690 -6.865 -4.484 14 1HB ARG 2 2HB ARG 2 15.179 -5.264 -2.997 15 2HB ARG 2 1HB ARG 2 15.336 -6.702 -1.997 16 1HG ARG 2 2HG ARG 2 15.804 -7.591 -4.594 17 2HG ARG 2 1HG ARG 2 16.630 -6.035 -4.490 18 1HD ARG 2 2HD ARG 2 17.739 -6.816 -2.416 19 2HD ARG 2 1HD ARG 2 16.978 -8.390 -2.636 20 HE ARG 2 HE ARG 2 18.513 -7.513 -4.904 21 1HH1 ARG 2 1HH1 ARG 2 18.643 -9.190 -1.836 22 2HH1 ARG 2 2HH1 ARG 2 20.065 -10.086 -2.251 23 1HH2 ARG 2 1HH2 ARG 2 20.379 -8.694 -5.440 24 2HH2 ARG 2 2HH2 ARG 2 21.050 -9.805 -4.294 25 H LYS 3 H LYS 3 13.275 -7.340 -0.974 26 HA LYS 3 HA LYS 3 11.993 -9.815 -1.209 27 1HB LYS 3 2HB LYS 3 14.657 -10.106 -1.796 28 2HB LYS 3 1HB LYS 3 14.623 -10.483 -0.079 29 1HG LYS 3 2HG LYS 3 12.778 -12.112 -0.581 30 2HG LYS 3 1HG LYS 3 13.110 -11.840 -2.293 31 1HD LYS 3 2HD LYS 3 15.600 -12.349 -1.425 32 2HD LYS 3 1HD LYS 3 14.680 -13.301 -0.257 33 1HE LYS 3 2HE LYS 3 13.834 -14.712 -1.870 34 2HE LYS 3 1HE LYS 3 14.021 -13.521 -3.157 35 1HZ LYS 3 1HZ LYS 3 15.729 -14.921 -3.642 36 2HZ LYS 3 2HZ LYS 3 15.993 -15.368 -2.032 37 3HZ LYS 3 3HZ LYS 3 16.544 -13.871 -2.594 38 H LEU 4 H LEU 4 10.706 -9.000 0.411 39 HA LEU 4 HA LEU 4 11.918 -8.983 3.090 40 1HB LEU 4 2HB LEU 4 9.686 -7.095 2.489 41 2HB LEU 4 1HB LEU 4 10.914 -7.003 3.736 42 HG LEU 4 HG LEU 4 11.464 -6.545 0.804 43 1HD1 LEU 4 1HD1 LEU 4 10.026 -4.791 1.434 44 2HD1 LEU 4 2HD1 LEU 4 11.659 -4.135 1.559 45 3HD1 LEU 4 3HD1 LEU 4 10.792 -4.624 3.014 46 1HD2 LEU 4 1HD2 LEU 4 13.103 -6.652 3.243 47 2HD2 LEU 4 2HD2 LEU 4 13.404 -5.267 2.194 48 3HD2 LEU 4 3HD2 LEU 4 13.553 -6.904 1.557 49 H SER 5 H SER 5 10.625 -9.768 4.744 50 HA SER 5 HA SER 5 8.727 -11.727 4.091 51 1HB SER 5 2HB SER 5 9.197 -10.330 6.733 52 2HB SER 5 1HB SER 5 8.261 -11.809 6.522 53 HG SER 5 HG SER 5 10.385 -12.294 7.136 54 H ASP 6 H ASP 6 6.449 -11.796 4.824 55 HA ASP 6 HA ASP 6 4.949 -9.721 3.687 56 1HB ASP 6 2HB ASP 6 3.677 -11.384 5.830 57 2HB ASP 6 1HB ASP 6 3.030 -10.861 4.286 58 H GLU 7 H GLU 7 6.269 -10.092 6.868 59 HA GLU 7 HA GLU 7 4.590 -8.158 8.136 60 1HB GLU 7 2HB GLU 7 6.808 -9.877 8.883 61 2HB GLU 7 1HB GLU 7 6.988 -8.272 9.576 62 1HG GLU 7 2HG GLU 7 4.604 -8.514 10.398 63 2HG GLU 7 1HG GLU 7 4.734 -10.215 9.954 64 H LEU 8 H LEU 8 7.657 -8.107 6.466 65 HA LEU 8 HA LEU 8 8.186 -5.341 7.083 66 1HB LEU 8 2HB LEU 8 9.525 -7.455 5.473 67 2HB LEU 8 1HB LEU 8 9.929 -5.777 5.160 68 HG LEU 8 HG LEU 8 11.478 -6.884 6.734 69 1HD1 LEU 8 1HD1 LEU 8 11.683 -4.672 7.103 70 2HD1 LEU 8 2HD1 LEU 8 10.933 -5.085 8.645 71 3HD1 LEU 8 3HD1 LEU 8 9.949 -4.442 7.331 72 1HD2 LEU 8 1HD2 LEU 8 10.811 -7.534 8.914 73 2HD2 LEU 8 2HD2 LEU 8 9.697 -8.312 7.788 74 3HD2 LEU 8 3HD2 LEU 8 9.190 -6.879 8.682 75 H LEU 9 H LEU 9 6.858 -7.207 4.431 76 HA LEU 9 HA LEU 9 6.762 -5.028 2.585 77 1HB LEU 9 2HB LEU 9 6.857 -7.296 1.758 78 2HB LEU 9 1HB LEU 9 5.385 -7.710 2.615 79 HG LEU 9 HG LEU 9 4.275 -5.898 1.124 80 1HD1 LEU 9 1HD1 LEU 9 5.353 -5.110 -0.696 81 2HD1 LEU 9 2HD1 LEU 9 6.298 -6.583 -0.910 82 3HD1 LEU 9 3HD1 LEU 9 6.777 -5.396 0.304 83 1HD2 LEU 9 1HD2 LEU 9 5.205 -8.587 0.142 84 2HD2 LEU 9 2HD2 LEU 9 4.032 -7.593 -0.722 85 3HD2 LEU 9 3HD2 LEU 9 3.665 -8.179 0.900 86 H ILE 10 H ILE 10 4.406 -6.603 4.703 87 HA ILE 10 HA ILE 10 2.253 -4.948 3.891 88 HB ILE 10 HB ILE 10 2.570 -6.623 6.377 89 1HG1 ILE 10 2HG1 ILE 10 0.865 -7.220 3.978 90 2HG1 ILE 10 1HG1 ILE 10 2.575 -7.642 3.996 91 1HG2 ILE 10 1HG2 ILE 10 0.091 -5.331 5.235 92 2HG2 ILE 10 2HG2 ILE 10 0.890 -4.892 6.745 93 3HG2 ILE 10 3HG2 ILE 10 0.126 -6.473 6.578 94 1HD1 ILE 10 1HD1 ILE 10 1.120 -8.492 6.368 95 2HD1 ILE 10 2HD1 ILE 10 2.244 -9.377 5.339 96 3HD1 ILE 10 3HD1 ILE 10 0.558 -9.218 4.868 97 H GLU 11 H GLU 11 4.679 -4.751 6.409 98 HA GLU 11 HA GLU 11 3.540 -2.637 7.882 99 1HB GLU 11 2HB GLU 11 6.242 -3.827 7.610 100 2HB GLU 11 1HB GLU 11 6.165 -2.204 8.267 101 1HG GLU 11 2HG GLU 11 4.549 -4.485 9.361 102 2HG GLU 11 1HG GLU 11 6.166 -4.085 9.939 103 H SER 12 H SER 12 5.282 -2.751 4.869 104 HA SER 12 HA SER 12 5.913 0.044 4.790 105 1HB SER 12 2HB SER 12 6.843 -2.070 3.397 106 2HB SER 12 1HB SER 12 5.646 -1.476 2.246 107 HG SER 12 HG SER 12 6.711 0.648 2.631 108 H TYR 13 H TYR 13 3.402 -2.020 3.374 109 HA TYR 13 HA TYR 13 2.035 0.036 1.999 110 1HB TYR 13 2HB TYR 13 1.708 -2.404 1.587 111 2HB TYR 13 1HB TYR 13 0.882 -2.524 3.133 112 HD1 TYR 13 1HD TYR 13 0.716 -0.578 -0.052 113 HD2 TYR 13 2HD TYR 13 -1.422 -2.366 3.163 114 HE1 TYR 13 1HE TYR 13 -1.406 0.014 -1.143 115 HE2 TYR 13 2HE TYR 13 -3.551 -1.780 2.080 116 HH TYR 13 HH TYR 13 -4.415 -0.194 0.455 117 H PHE 14 H PHE 14 1.827 -1.272 5.249 118 HA PHE 14 HA PHE 14 -0.470 0.239 6.016 119 1HB PHE 14 2HB PHE 14 1.609 -1.290 7.560 120 2HB PHE 14 1HB PHE 14 0.292 -0.451 8.354 121 HD1 PHE 14 1HD PHE 14 -0.072 -2.802 9.292 122 HD2 PHE 14 2HD PHE 14 -0.694 -1.820 5.195 123 HE1 PHE 14 1HE PHE 14 -1.479 -4.804 9.025 124 HE2 PHE 14 2HE PHE 14 -2.102 -3.816 4.928 125 HZ PHE 14 HZ PHE 14 -2.494 -5.316 6.839 126 H LYS 15 H LYS 15 3.012 0.569 6.554 127 HA LYS 15 HA LYS 15 2.877 2.941 8.079 128 1HB LYS 15 2HB LYS 15 5.056 1.619 6.482 129 2HB LYS 15 1HB LYS 15 5.316 3.175 7.247 130 1HG LYS 15 2HG LYS 15 4.448 0.698 8.719 131 2HG LYS 15 1HG LYS 15 6.120 1.241 8.574 132 1HD LYS 15 2HD LYS 15 5.741 2.385 10.460 133 2HD LYS 15 1HD LYS 15 4.822 3.502 9.449 134 1HE LYS 15 2HE LYS 15 2.774 2.505 10.022 135 2HE LYS 15 1HE LYS 15 3.559 1.063 10.663 136 1HZ LYS 15 1HZ LYS 15 4.335 2.277 12.531 137 2HZ LYS 15 2HZ LYS 15 2.689 2.629 12.371 138 3HZ LYS 15 3HZ LYS 15 3.845 3.756 11.872 139 H ALA 16 H ALA 16 3.406 2.333 4.634 140 HA ALA 16 HA ALA 16 3.786 5.004 3.866 141 1HB ALA 16 1HB ALA 16 2.849 2.600 2.318 142 2HB ALA 16 2HB ALA 16 4.473 3.284 2.382 143 3HB ALA 16 3HB ALA 16 3.176 4.167 1.577 144 H THR 17 H THR 17 0.855 3.095 4.287 145 HA THR 17 HA THR 17 -0.873 4.964 3.021 146 HB THR 17 HB THR 17 -2.663 3.746 4.372 147 HG1 THR 17 1HG THR 17 -1.057 3.057 5.989 148 1HG2 THR 17 1HG2 THR 17 -2.659 2.787 2.343 149 2HG2 THR 17 2HG2 THR 17 -1.939 1.441 3.225 150 3HG2 THR 17 3HG2 THR 17 -0.911 2.559 2.330 151 H GLU 18 H GLU 18 0.402 4.609 6.257 152 HA GLU 18 HA GLU 18 -1.363 6.517 7.449 153 1HB GLU 18 2HB GLU 18 0.821 4.789 8.312 154 2HB GLU 18 1HB GLU 18 0.843 6.355 9.112 155 1HG GLU 18 2HG GLU 18 -0.517 5.286 10.552 156 2HG GLU 18 1HG GLU 18 -1.745 5.787 9.389 157 H MET 19 H MET 19 2.003 6.610 6.357 158 HA MET 19 HA MET 19 2.261 9.405 6.996 159 1HB MET 19 2HB MET 19 4.511 9.192 6.210 160 2HB MET 19 1HB MET 19 4.137 7.791 7.194 161 1HG MET 19 2HG MET 19 3.883 6.424 5.246 162 2HG MET 19 1HG MET 19 4.054 7.821 4.190 163 1HE MET 19 1HE MET 19 5.710 4.903 4.363 164 2HE MET 19 2HE MET 19 5.782 5.019 6.121 165 3HE MET 19 3HE MET 19 7.270 5.033 5.175 166 H ASN 20 H ASN 20 1.107 7.634 4.323 167 HA ASN 20 HA ASN 20 0.253 8.310 2.324 168 1HB ASN 20 2HB ASN 20 1.214 11.111 2.869 169 2HB ASN 20 1HB ASN 20 -0.093 10.601 1.808 170 1HD2 ASN 20 1HD2 ASN 20 0.617 11.928 4.732 171 2HD2 ASN 20 2HD2 ASN 20 -0.862 11.602 5.562 172 H LEU 21 H LEU 21 2.781 7.216 2.600 173 HA LEU 21 HA LEU 21 4.894 8.502 1.332 174 1HB LEU 21 2HB LEU 21 4.675 6.169 2.526 175 2HB LEU 21 1HB LEU 21 4.390 5.584 0.900 176 HG LEU 21 HG LEU 21 6.823 7.224 1.492 177 1HD1 LEU 21 1HD1 LEU 21 6.231 4.525 2.478 178 2HD1 LEU 21 2HD1 LEU 21 7.413 5.710 3.033 179 3HD1 LEU 21 3HD1 LEU 21 7.772 4.695 1.637 180 1HD2 LEU 21 1HD2 LEU 21 7.305 5.074 -0.276 181 2HD2 LEU 21 2HD2 LEU 21 7.209 6.793 -0.656 182 3HD2 LEU 21 3HD2 LEU 21 5.764 5.788 -0.753 183 H ASN 22 H ASN 22 5.759 8.148 -0.851 184 HA ASN 22 HA ASN 22 4.228 8.996 -2.908 185 1HB ASN 22 2HB ASN 22 6.699 8.695 -2.963 186 2HB ASN 22 1HB ASN 22 6.451 6.972 -3.225 187 1HD2 ASN 22 1HD2 ASN 22 7.146 6.674 -5.237 188 2HD2 ASN 22 2HD2 ASN 22 6.561 7.513 -6.629 189 H ARG 23 H ARG 23 2.703 8.261 -4.236 190 HA ARG 23 HA ARG 23 1.198 6.012 -3.752 191 1HB ARG 23 2HB ARG 23 0.510 7.966 -5.127 192 2HB ARG 23 1HB ARG 23 1.521 7.362 -6.432 193 1HG ARG 23 2HG ARG 23 -0.525 5.535 -5.298 194 2HG ARG 23 1HG ARG 23 -1.067 6.865 -6.324 195 1HD ARG 23 2HD ARG 23 1.070 5.824 -7.720 196 2HD ARG 23 1HD ARG 23 0.305 4.392 -7.031 197 HE ARG 23 HE ARG 23 -1.474 4.702 -8.437 198 1HH1 ARG 23 1HH1 ARG 23 0.443 7.629 -8.404 199 2HH1 ARG 23 2HH1 ARG 23 -0.431 8.359 -9.708 200 1HH2 ARG 23 1HH2 ARG 23 -2.615 5.668 -10.150 201 2HH2 ARG 23 2HH2 ARG 23 -2.165 7.248 -10.697 202 H ASP 24 H ASP 24 4.043 6.293 -5.777 203 HA ASP 24 HA ASP 24 3.716 3.867 -7.167 204 1HB ASP 24 2HB ASP 24 5.456 5.925 -7.386 205 2HB ASP 24 1HB ASP 24 6.485 4.742 -6.585 206 H PHE 25 H PHE 25 5.151 4.623 -4.051 207 HA PHE 25 HA PHE 25 6.264 2.012 -3.671 208 1HB PHE 25 2HB PHE 25 6.897 4.282 -2.512 209 2HB PHE 25 1HB PHE 25 5.605 3.856 -1.395 210 HD1 PHE 25 1HD PHE 25 6.627 3.256 0.590 211 HD2 PHE 25 2HD PHE 25 8.146 1.722 -3.079 212 HE1 PHE 25 1HE PHE 25 8.184 1.819 1.839 213 HE2 PHE 25 2HE PHE 25 9.704 0.280 -1.835 214 HZ PHE 25 HZ PHE 25 9.725 0.328 0.627 215 H ILE 26 H ILE 26 3.371 3.734 -2.618 216 HA ILE 26 HA ILE 26 2.281 1.705 -1.009 217 HB ILE 26 HB ILE 26 0.933 3.919 -2.567 218 1HG1 ILE 26 2HG1 ILE 26 1.706 3.648 0.346 219 2HG1 ILE 26 1HG1 ILE 26 2.467 4.701 -0.841 220 1HG2 ILE 26 1HG2 ILE 26 -0.246 2.143 -0.423 221 2HG2 ILE 26 2HG2 ILE 26 -0.690 2.147 -2.129 222 3HG2 ILE 26 3HG2 ILE 26 -1.030 3.557 -1.128 223 1HD1 ILE 26 1HD1 ILE 26 -0.394 4.924 0.066 224 2HD1 ILE 26 2HD1 ILE 26 0.468 6.033 -1.002 225 3HD1 ILE 26 3HD1 ILE 26 0.946 5.886 0.690 226 H GLU 27 H GLU 27 1.845 2.468 -4.459 227 HA GLU 27 HA GLU 27 0.045 0.309 -4.920 228 1HB GLU 27 2HB GLU 27 0.769 2.530 -6.338 229 2HB GLU 27 1HB GLU 27 1.619 1.270 -7.220 230 1HG GLU 27 2HG GLU 27 -0.694 0.061 -7.144 231 2HG GLU 27 1HG GLU 27 -1.307 1.689 -6.860 232 H LEU 28 H LEU 28 3.506 0.712 -5.036 233 HA LEU 28 HA LEU 28 4.105 -1.697 -6.406 234 1HB LEU 28 2HB LEU 28 5.821 -0.117 -6.423 235 2HB LEU 28 1HB LEU 28 5.636 0.253 -4.723 236 HG LEU 28 HG LEU 28 6.667 -2.441 -5.525 237 1HD1 LEU 28 1HD1 LEU 28 8.053 0.170 -5.813 238 2HD1 LEU 28 2HD1 LEU 28 8.232 -1.317 -6.746 239 3HD1 LEU 28 3HD1 LEU 28 8.968 -1.183 -5.148 240 1HD2 LEU 28 1HD2 LEU 28 6.373 -2.364 -3.244 241 2HD2 LEU 28 2HD2 LEU 28 6.750 -0.643 -3.145 242 3HD2 LEU 28 3HD2 LEU 28 8.043 -1.817 -3.387 243 H ILE 29 H ILE 29 3.964 -0.826 -2.967 244 HA ILE 29 HA ILE 29 4.647 -3.415 -2.022 245 HB ILE 29 HB ILE 29 3.068 -1.293 -0.561 246 1HG1 ILE 29 2HG1 ILE 29 5.963 -1.628 -0.049 247 2HG1 ILE 29 1HG1 ILE 29 5.538 -0.890 -1.589 248 1HG2 ILE 29 1HG2 ILE 29 3.067 -3.592 0.397 249 2HG2 ILE 29 2HG2 ILE 29 3.785 -2.370 1.446 250 3HG2 ILE 29 3HG2 ILE 29 4.820 -3.477 0.543 251 1HD1 ILE 29 1HD1 ILE 29 5.465 0.215 1.083 252 2HD1 ILE 29 2HD1 ILE 29 3.942 0.436 0.221 253 3HD1 ILE 29 3HD1 ILE 29 5.446 1.028 -0.482 254 H GLU 30 H GLU 30 1.666 -1.828 -2.923 255 HA GLU 30 HA GLU 30 -0.054 -3.861 -1.852 256 1HB GLU 30 2HB GLU 30 -0.576 -1.357 -2.396 257 2HB GLU 30 1HB GLU 30 -0.879 -1.958 -4.020 258 1HG GLU 30 2HG GLU 30 -2.404 -3.676 -2.770 259 2HG GLU 30 1HG GLU 30 -2.379 -2.453 -1.500 260 H ASN 31 H ASN 31 1.512 -3.191 -4.903 261 HA ASN 31 HA ASN 31 0.035 -5.044 -6.467 262 1HB ASN 31 2HB ASN 31 2.583 -3.517 -6.807 263 2HB ASN 31 1HB ASN 31 2.246 -4.847 -7.909 264 1HD2 ASN 31 1HD2 ASN 31 -0.338 -4.720 -8.425 265 2HD2 ASN 31 2HD2 ASN 31 -0.780 -3.203 -9.123 266 H GLU 32 H GLU 32 2.790 -5.325 -4.352 267 HA GLU 32 HA GLU 32 3.533 -7.943 -5.319 268 1HB GLU 32 2HB GLU 32 5.115 -6.244 -4.243 269 2HB GLU 32 1HB GLU 32 4.382 -6.690 -2.709 270 1HG GLU 32 2HG GLU 32 5.995 -8.220 -2.599 271 2HG GLU 32 1HG GLU 32 5.013 -9.126 -3.750 272 H ILE 33 H ILE 33 1.922 -6.564 -2.506 273 HA ILE 33 HA ILE 33 1.397 -8.986 -1.161 274 HB ILE 33 HB ILE 33 -0.116 -6.362 -1.087 275 1HG1 ILE 33 2HG1 ILE 33 1.855 -7.332 0.962 276 2HG1 ILE 33 1HG1 ILE 33 2.399 -6.473 -0.475 277 1HG2 ILE 33 1HG2 ILE 33 -1.202 -7.048 0.861 278 2HG2 ILE 33 2HG2 ILE 33 -0.085 -8.386 1.127 279 3HG2 ILE 33 3HG2 ILE 33 -1.277 -8.478 -0.167 280 1HD1 ILE 33 1HD1 ILE 33 2.145 -5.000 1.461 281 2HD1 ILE 33 2HD1 ILE 33 0.434 -5.416 1.544 282 3HD1 ILE 33 3HD1 ILE 33 1.064 -4.550 0.143 283 H LYS 34 H LYS 34 -0.214 -7.265 -3.762 284 HA LYS 34 HA LYS 34 -2.635 -8.770 -3.676 285 1HB LYS 34 2HB LYS 34 -1.419 -6.724 -5.409 286 2HB LYS 34 1HB LYS 34 -2.471 -7.852 -6.253 287 1HG LYS 34 2HG LYS 34 -4.267 -7.332 -4.646 288 2HG LYS 34 1HG LYS 34 -3.208 -6.141 -3.889 289 1HD LYS 34 2HD LYS 34 -3.471 -5.855 -6.797 290 2HD LYS 34 1HD LYS 34 -4.973 -5.616 -5.904 291 1HE LYS 34 2HE LYS 34 -3.596 -4.074 -4.387 292 2HE LYS 34 1HE LYS 34 -2.387 -4.110 -5.669 293 1HZ LYS 34 1HZ LYS 34 -3.639 -2.828 -7.003 294 2HZ LYS 34 2HZ LYS 34 -4.370 -2.339 -5.558 295 3HZ LYS 34 3HZ LYS 34 -5.101 -3.526 -6.516 296 H ARG 35 H ARG 35 0.278 -8.907 -5.708 297 HA ARG 35 HA ARG 35 -0.551 -11.206 -7.162 298 1HB ARG 35 2HB ARG 35 1.145 -9.596 -7.987 299 2HB ARG 35 1HB ARG 35 2.245 -10.141 -6.728 300 1HG ARG 35 2HG ARG 35 3.010 -11.423 -8.425 301 2HG ARG 35 1HG ARG 35 1.736 -12.497 -7.843 302 1HD ARG 35 2HD ARG 35 0.412 -10.837 -9.604 303 2HD ARG 35 1HD ARG 35 1.978 -11.080 -10.376 304 HE ARG 35 HE ARG 35 0.763 -13.509 -9.439 305 1HH1 ARG 35 1HH1 ARG 35 0.952 -11.254 -12.108 306 2HH1 ARG 35 2HH1 ARG 35 0.450 -12.421 -13.284 307 1HH2 ARG 35 1HH2 ARG 35 0.102 -15.033 -10.989 308 2HH2 ARG 35 2HH2 ARG 35 -0.033 -14.562 -12.651 309 H ARG 36 H ARG 36 0.937 -10.712 -4.075 310 HA ARG 36 HA ARG 36 1.971 -13.391 -3.848 311 1HB ARG 36 2HB ARG 36 1.882 -10.966 -2.114 312 2HB ARG 36 1HB ARG 36 2.165 -12.525 -1.355 313 1HG ARG 36 2HG ARG 36 3.994 -12.780 -3.188 314 2HG ARG 36 1HG ARG 36 3.866 -11.023 -3.289 315 1HD ARG 36 2HD ARG 36 4.471 -10.763 -1.008 316 2HD ARG 36 1HD ARG 36 4.304 -12.491 -0.699 317 HE ARG 36 HE ARG 36 6.278 -11.862 -2.689 318 1HH1 ARG 36 1HH1 ARG 36 5.705 -12.218 0.744 319 2HH1 ARG 36 2HH1 ARG 36 7.365 -12.550 1.107 320 1HH2 ARG 36 1HH2 ARG 36 8.454 -12.299 -2.202 321 2HH2 ARG 36 2HH2 ARG 36 8.924 -12.594 -0.561 322 H SER 37 H SER 37 -1.131 -12.412 -3.902 323 HA SER 37 HA SER 37 -3.091 -13.262 -3.125 324 1HB SER 37 2HB SER 37 -2.022 -15.419 -3.770 325 2HB SER 37 1HB SER 37 -1.384 -15.560 -2.132 326 HG SER 37 HG SER 37 -3.266 -16.691 -2.142 327 H LEU 38 H LEU 38 -1.591 -11.470 -1.496 328 HA LEU 38 HA LEU 38 -2.489 -12.292 1.196 329 1HB LEU 38 2HB LEU 38 0.057 -12.040 0.616 330 2HB LEU 38 1HB LEU 38 -0.282 -10.328 0.778 331 HG LEU 38 HG LEU 38 -1.222 -10.882 3.081 332 1HD1 LEU 38 1HD1 LEU 38 -0.173 -13.513 2.229 333 2HD1 LEU 38 2HD1 LEU 38 -1.524 -13.118 3.292 334 3HD1 LEU 38 3HD1 LEU 38 0.130 -13.026 3.896 335 1HD2 LEU 38 1HD2 LEU 38 0.871 -9.741 2.845 336 2HD2 LEU 38 2HD2 LEU 38 1.699 -11.246 2.446 337 3HD2 LEU 38 3HD2 LEU 38 1.059 -10.995 4.070 338 H GLY 39 H GLY 39 -3.846 -10.753 -1.012 339 1HA GLY 39 2HA GLY 39 -3.924 -8.005 -0.277 340 2HA GLY 39 1HA GLY 39 -5.094 -8.844 -1.286 341 H HIS 40 H HIS 40 -5.180 -10.721 1.320 342 HA HIS 40 HA HIS 40 -7.518 -9.393 2.365 343 1HB HIS 40 2HB HIS 40 -7.687 -11.410 3.827 344 2HB HIS 40 1HB HIS 40 -7.600 -11.806 2.114 345 HD1 HIS 40 1HD HIS 40 -5.901 -13.504 1.488 346 HD2 HIS 40 2HD HIS 40 -5.066 -11.744 5.158 347 HE1 HIS 40 1HE HIS 40 -3.909 -14.744 2.391 348 HE2 HIS 40 2HE HIS 40 -3.363 -13.598 4.566 349 H ILE 41 H ILE 41 -4.201 -9.989 3.287 350 HA ILE 41 HA ILE 41 -4.328 -9.299 6.000 351 HB ILE 41 HB ILE 41 -2.388 -10.317 4.596 352 1HG1 ILE 41 2HG1 ILE 41 -0.743 -9.610 6.279 353 2HG1 ILE 41 1HG1 ILE 41 -1.822 -8.312 6.782 354 1HG2 ILE 41 1HG2 ILE 41 -0.863 -9.005 3.538 355 2HG2 ILE 41 2HG2 ILE 41 -1.192 -7.605 4.556 356 3HG2 ILE 41 3HG2 ILE 41 -2.306 -8.036 3.260 357 1HD1 ILE 41 1HD1 ILE 41 -1.717 -10.628 8.036 358 2HD1 ILE 41 2HD1 ILE 41 -2.879 -11.079 6.788 359 3HD1 ILE 41 3HD1 ILE 41 -3.226 -9.730 7.870 360 H ILE 42 H ILE 42 -4.182 -7.403 3.090 361 HA ILE 42 HA ILE 42 -3.812 -4.880 4.456 362 HB ILE 42 HB ILE 42 -4.135 -3.903 2.155 363 1HG1 ILE 42 2HG1 ILE 42 -4.138 -6.809 1.315 364 2HG1 ILE 42 1HG1 ILE 42 -5.483 -5.686 1.159 365 1HG2 ILE 42 1HG2 ILE 42 -1.972 -4.685 1.293 366 2HG2 ILE 42 2HG2 ILE 42 -1.989 -5.980 2.492 367 3HG2 ILE 42 3HG2 ILE 42 -1.924 -4.295 3.012 368 1HD1 ILE 42 1HD1 ILE 42 -4.516 -5.835 -0.968 369 2HD1 ILE 42 2HD1 ILE 42 -2.879 -5.706 -0.324 370 3HD1 ILE 42 3HD1 ILE 42 -3.947 -4.301 -0.308 371 H SER 43 H SER 43 -5.410 -3.074 3.530 372 HA SER 43 HA SER 43 -8.057 -3.907 4.405 373 1HB SER 43 2HB SER 43 -7.326 -1.861 5.388 374 2HB SER 43 1HB SER 43 -6.827 -1.208 3.828 375 HG SER 43 HG SER 43 -8.786 -0.528 3.531 376 H VAL 44 H VAL 44 -7.656 -5.191 2.164 377 HA VAL 44 HA VAL 44 -9.104 -3.686 0.092 378 HB VAL 44 HB VAL 44 -7.049 -5.864 -0.315 379 1HG1 VAL 44 1HG1 VAL 44 -8.555 -4.161 -2.287 380 2HG1 VAL 44 2HG1 VAL 44 -8.667 -5.910 -2.086 381 3HG1 VAL 44 3HG1 VAL 44 -7.177 -5.184 -2.691 382 1HG2 VAL 44 1HG2 VAL 44 -5.957 -3.891 0.450 383 2HG2 VAL 44 2HG2 VAL 44 -6.886 -2.883 -0.659 384 3HG2 VAL 44 3HG2 VAL 44 -5.695 -4.021 -1.289 385 H SER 45 H SER 45 -10.722 -4.764 -1.035 386 HA SER 45 HA SER 45 -11.572 -7.320 0.158 387 1HB SER 45 2HB SER 45 -13.104 -4.967 -0.892 388 2HB SER 45 1HB SER 45 -13.842 -6.567 -0.932 389 HG SER 45 HG SER 45 -14.154 -6.434 1.136 390 H SER 46 H SER 46 -10.376 -8.634 -1.224 391 HA SER 46 HA SER 46 -10.401 -8.393 -4.047 392 1HB SER 46 2HB SER 46 -8.616 -9.608 -2.935 393 2HB SER 46 1HB SER 46 -9.771 -10.767 -2.278 394 HG SER 46 HG SER 46 -9.241 -11.823 -4.033 Start of MODEL 7 1 1H MET 1 1HT MET 1 11.208 -4.013 -0.938 2 2H MET 1 2HT MET 1 12.772 -4.503 -1.450 3 3H MET 1 3HT MET 1 11.617 -5.678 -0.969 4 HA MET 1 HA MET 1 10.197 -4.799 -2.814 5 1HB MET 1 2HB MET 1 12.786 -3.378 -3.195 6 2HB MET 1 1HB MET 1 11.958 -3.949 -4.637 7 1HG MET 1 2HG MET 1 11.224 -1.756 -4.357 8 2HG MET 1 1HG MET 1 9.905 -2.749 -3.739 9 1HE MET 1 1HE MET 1 9.498 -2.063 -0.224 10 2HE MET 1 2HE MET 1 9.070 -2.913 -1.708 11 3HE MET 1 3HE MET 1 8.696 -1.199 -1.535 12 H ARG 2 H ARG 2 13.442 -6.108 -2.458 13 HA ARG 2 HA ARG 2 13.243 -7.862 -4.717 14 1HB ARG 2 2HB ARG 2 15.173 -7.740 -2.399 15 2HB ARG 2 1HB ARG 2 15.311 -8.901 -3.713 16 1HG ARG 2 2HG ARG 2 15.265 -6.798 -5.233 17 2HG ARG 2 1HG ARG 2 15.707 -5.943 -3.753 18 1HD ARG 2 2HD ARG 2 17.784 -6.429 -4.593 19 2HD ARG 2 1HD ARG 2 17.510 -7.840 -3.573 20 HE ARG 2 HE ARG 2 16.559 -8.354 -6.174 21 1HH1 ARG 2 1HH1 ARG 2 19.568 -7.977 -4.428 22 2HH1 ARG 2 2HH1 ARG 2 20.460 -8.997 -5.504 23 1HH2 ARG 2 1HH2 ARG 2 17.740 -9.692 -7.583 24 2HH2 ARG 2 2HH2 ARG 2 19.424 -9.969 -7.293 25 H LYS 3 H LYS 3 13.153 -8.355 -1.188 26 HA LYS 3 HA LYS 3 11.149 -10.347 -1.353 27 1HB LYS 3 2HB LYS 3 12.596 -12.237 -0.479 28 2HB LYS 3 1HB LYS 3 12.790 -11.837 -2.181 29 1HG LYS 3 2HG LYS 3 14.705 -10.280 -1.136 30 2HG LYS 3 1HG LYS 3 14.687 -11.578 0.059 31 1HD LYS 3 2HD LYS 3 14.897 -13.209 -1.818 32 2HD LYS 3 1HD LYS 3 15.100 -11.843 -2.916 33 1HE LYS 3 2HE LYS 3 17.168 -11.285 -2.048 34 2HE LYS 3 1HE LYS 3 16.850 -12.080 -0.507 35 1HZ LYS 3 1HZ LYS 3 18.443 -13.162 -2.223 36 2HZ LYS 3 2HZ LYS 3 17.016 -13.699 -2.954 37 3HZ LYS 3 3HZ LYS 3 17.362 -14.132 -1.356 38 H LEU 4 H LEU 4 10.167 -9.245 0.289 39 HA LEU 4 HA LEU 4 11.550 -9.265 2.896 40 1HB LEU 4 2HB LEU 4 9.285 -7.402 2.310 41 2HB LEU 4 1HB LEU 4 10.572 -7.243 3.488 42 HG LEU 4 HG LEU 4 10.803 -6.835 0.506 43 1HD1 LEU 4 1HD1 LEU 4 11.482 -4.530 1.289 44 2HD1 LEU 4 2HD1 LEU 4 10.861 -4.986 2.875 45 3HD1 LEU 4 3HD1 LEU 4 9.780 -4.948 1.483 46 1HD2 LEU 4 1HD2 LEU 4 12.834 -7.279 2.601 47 2HD2 LEU 4 2HD2 LEU 4 13.135 -5.939 1.494 48 3HD2 LEU 4 3HD2 LEU 4 12.910 -7.570 0.864 49 H SER 5 H SER 5 10.362 -9.877 4.716 50 HA SER 5 HA SER 5 8.439 -11.890 4.363 51 1HB SER 5 2HB SER 5 8.502 -10.407 6.945 52 2HB SER 5 1HB SER 5 8.509 -12.145 6.645 53 HG SER 5 HG SER 5 10.589 -12.083 6.817 54 H ASP 6 H ASP 6 6.199 -11.895 5.165 55 HA ASP 6 HA ASP 6 4.654 -9.895 3.956 56 1HB ASP 6 2HB ASP 6 3.400 -11.333 6.248 57 2HB ASP 6 1HB ASP 6 2.775 -11.011 4.644 58 H GLU 7 H GLU 7 6.077 -10.082 7.110 59 HA GLU 7 HA GLU 7 4.478 -7.998 8.255 60 1HB GLU 7 2HB GLU 7 6.546 -9.811 9.140 61 2HB GLU 7 1HB GLU 7 6.892 -8.179 9.694 62 1HG GLU 7 2HG GLU 7 5.135 -8.136 11.107 63 2HG GLU 7 1HG GLU 7 4.121 -9.121 10.054 64 H LEU 8 H LEU 8 7.522 -8.226 6.571 65 HA LEU 8 HA LEU 8 8.263 -5.487 7.047 66 1HB LEU 8 2HB LEU 8 9.378 -7.758 5.483 67 2HB LEU 8 1HB LEU 8 9.898 -6.130 5.086 68 HG LEU 8 HG LEU 8 11.392 -7.343 6.668 69 1HD1 LEU 8 1HD1 LEU 8 11.757 -5.456 8.118 70 2HD1 LEU 8 2HD1 LEU 8 10.130 -4.857 7.793 71 3HD1 LEU 8 3HD1 LEU 8 11.332 -4.889 6.503 72 1HD2 LEU 8 1HD2 LEU 8 10.767 -7.947 8.797 73 2HD2 LEU 8 2HD2 LEU 8 9.308 -8.328 7.884 74 3HD2 LEU 8 3HD2 LEU 8 9.396 -6.838 8.821 75 H LEU 9 H LEU 9 6.796 -7.345 4.445 76 HA LEU 9 HA LEU 9 6.775 -5.181 2.578 77 1HB LEU 9 2HB LEU 9 6.793 -7.477 1.798 78 2HB LEU 9 1HB LEU 9 5.282 -7.799 2.624 79 HG LEU 9 HG LEU 9 4.207 -6.086 1.109 80 1HD1 LEU 9 1HD1 LEU 9 6.480 -5.093 0.499 81 2HD1 LEU 9 2HD1 LEU 9 5.309 -5.309 -0.803 82 3HD1 LEU 9 3HD1 LEU 9 6.637 -6.454 -0.613 83 1HD2 LEU 9 1HD2 LEU 9 5.422 -8.596 -0.033 84 2HD2 LEU 9 2HD2 LEU 9 4.181 -7.646 -0.851 85 3HD2 LEU 9 3HD2 LEU 9 3.829 -8.406 0.702 86 H ILE 10 H ILE 10 4.367 -6.655 4.710 87 HA ILE 10 HA ILE 10 2.271 -4.944 3.867 88 HB ILE 10 HB ILE 10 2.523 -6.604 6.370 89 1HG1 ILE 10 2HG1 ILE 10 0.825 -7.142 3.944 90 2HG1 ILE 10 1HG1 ILE 10 2.505 -7.667 4.023 91 1HG2 ILE 10 1HG2 ILE 10 0.020 -6.389 6.436 92 2HG2 ILE 10 2HG2 ILE 10 0.168 -5.102 5.239 93 3HG2 ILE 10 3HG2 ILE 10 0.903 -4.914 6.831 94 1HD1 ILE 10 1HD1 ILE 10 0.398 -9.135 4.820 95 2HD1 ILE 10 2HD1 ILE 10 0.878 -8.390 6.341 96 3HD1 ILE 10 3HD1 ILE 10 2.040 -9.340 5.417 97 H GLU 11 H GLU 11 4.723 -4.758 6.355 98 HA GLU 11 HA GLU 11 3.639 -2.603 7.814 99 1HB GLU 11 2HB GLU 11 6.330 -3.819 7.512 100 2HB GLU 11 1HB GLU 11 6.260 -2.201 8.177 101 1HG GLU 11 2HG GLU 11 4.387 -4.134 9.360 102 2HG GLU 11 1HG GLU 11 6.098 -4.451 9.645 103 H SER 12 H SER 12 5.350 -2.804 4.788 104 HA SER 12 HA SER 12 6.046 -0.033 4.641 105 1HB SER 12 2HB SER 12 5.774 -2.092 2.432 106 2HB SER 12 1HB SER 12 6.535 -0.510 2.269 107 HG SER 12 HG SER 12 8.099 -2.098 2.645 108 H TYR 13 H TYR 13 3.448 -2.047 3.316 109 HA TYR 13 HA TYR 13 2.108 0.038 1.945 110 1HB TYR 13 2HB TYR 13 1.718 -2.383 1.528 111 2HB TYR 13 1HB TYR 13 0.938 -2.506 3.099 112 HD1 TYR 13 1HD TYR 13 -1.355 -2.184 3.273 113 HD2 TYR 13 2HD TYR 13 0.690 -0.665 -0.135 114 HE1 TYR 13 1HE TYR 13 -3.510 -1.563 2.264 115 HE2 TYR 13 2HE TYR 13 -1.459 -0.039 -1.153 116 HH TYR 13 HH TYR 13 -3.859 0.538 -0.181 117 H PHE 14 H PHE 14 1.889 -1.271 5.200 118 HA PHE 14 HA PHE 14 -0.360 0.293 5.986 119 1HB PHE 14 2HB PHE 14 1.702 -1.276 7.511 120 2HB PHE 14 1HB PHE 14 0.414 -0.404 8.320 121 HD1 PHE 14 1HD PHE 14 0.004 -2.751 9.260 122 HD2 PHE 14 2HD PHE 14 -0.642 -1.747 5.171 123 HE1 PHE 14 1HE PHE 14 -1.456 -4.715 9.007 124 HE2 PHE 14 2HE PHE 14 -2.103 -3.707 4.918 125 HZ PHE 14 HZ PHE 14 -2.511 -5.200 6.833 126 H LYS 15 H LYS 15 3.137 0.609 6.366 127 HA LYS 15 HA LYS 15 3.077 2.954 7.945 128 1HB LYS 15 2HB LYS 15 5.166 1.611 6.261 129 2HB LYS 15 1HB LYS 15 5.472 3.201 6.937 130 1HG LYS 15 2HG LYS 15 4.732 0.765 8.543 131 2HG LYS 15 1HG LYS 15 6.371 1.373 8.317 132 1HD LYS 15 2HD LYS 15 6.066 2.671 10.100 133 2HD LYS 15 1HD LYS 15 4.868 3.577 9.178 134 1HE LYS 15 2HE LYS 15 3.416 2.954 10.758 135 2HE LYS 15 1HE LYS 15 3.459 1.364 10.000 136 1HZ LYS 15 1HZ LYS 15 5.106 2.277 12.295 137 2HZ LYS 15 2HZ LYS 15 5.295 0.786 11.520 138 3HZ LYS 15 3HZ LYS 15 3.855 1.138 12.335 139 H ALA 16 H ALA 16 3.420 2.389 4.467 140 HA ALA 16 HA ALA 16 3.787 5.042 3.675 141 1HB ALA 16 1HB ALA 16 4.236 3.219 2.165 142 2HB ALA 16 2HB ALA 16 3.022 4.279 1.449 143 3HB ALA 16 3HB ALA 16 2.537 2.746 2.174 144 H THR 17 H THR 17 0.838 3.230 4.334 145 HA THR 17 HA THR 17 -0.921 5.207 3.285 146 HB THR 17 HB THR 17 -2.671 3.999 4.588 147 HG1 THR 17 1HG THR 17 -2.152 2.501 6.000 148 1HG2 THR 17 1HG2 THR 17 -2.559 2.982 2.564 149 2HG2 THR 17 2HG2 THR 17 -2.064 1.637 3.594 150 3HG2 THR 17 3HG2 THR 17 -0.849 2.582 2.731 151 H GLU 18 H GLU 18 0.621 4.666 6.374 152 HA GLU 18 HA GLU 18 -0.947 6.604 7.784 153 1HB GLU 18 2HB GLU 18 1.169 4.707 8.404 154 2HB GLU 18 1HB GLU 18 1.382 6.233 9.249 155 1HG GLU 18 2HG GLU 18 -0.591 6.009 10.427 156 2HG GLU 18 1HG GLU 18 -1.274 4.871 9.267 157 H MET 19 H MET 19 2.317 6.561 6.414 158 HA MET 19 HA MET 19 2.786 9.307 7.155 159 1HB MET 19 2HB MET 19 4.963 9.006 6.235 160 2HB MET 19 1HB MET 19 4.566 7.563 7.144 161 1HG MET 19 2HG MET 19 4.109 6.357 5.120 162 2HG MET 19 1HG MET 19 4.328 7.815 4.157 163 1HE MET 19 1HE MET 19 5.725 4.801 4.053 164 2HE MET 19 2HE MET 19 6.007 4.757 5.793 165 3HE MET 19 3HE MET 19 7.374 4.756 4.677 166 H ASN 20 H ASN 20 1.367 7.712 4.493 167 HA ASN 20 HA ASN 20 0.397 8.527 2.600 168 1HB ASN 20 2HB ASN 20 1.573 11.243 3.159 169 2HB ASN 20 1HB ASN 20 0.154 10.850 2.196 170 1HD2 ASN 20 1HD2 ASN 20 1.006 12.276 4.919 171 2HD2 ASN 20 2HD2 ASN 20 -0.350 11.911 5.926 172 H LEU 21 H LEU 21 2.912 7.303 2.673 173 HA LEU 21 HA LEU 21 4.938 8.558 1.221 174 1HB LEU 21 2HB LEU 21 4.809 6.245 2.465 175 2HB LEU 21 1HB LEU 21 4.366 5.638 0.883 176 HG LEU 21 HG LEU 21 6.868 7.248 1.261 177 1HD1 LEU 21 1HD1 LEU 21 6.320 4.508 2.179 178 2HD1 LEU 21 2HD1 LEU 21 7.538 5.668 2.711 179 3HD1 LEU 21 3HD1 LEU 21 7.800 4.723 1.245 180 1HD2 LEU 21 1HD2 LEU 21 5.582 5.885 -0.917 181 2HD2 LEU 21 2HD2 LEU 21 7.163 5.165 -0.610 182 3HD2 LEU 21 3HD2 LEU 21 7.029 6.893 -0.929 183 H ASN 22 H ASN 22 5.575 8.245 -1.020 184 HA ASN 22 HA ASN 22 3.844 9.054 -2.925 185 1HB ASN 22 2HB ASN 22 6.343 8.738 -3.142 186 2HB ASN 22 1HB ASN 22 6.019 7.051 -3.531 187 1HD2 ASN 22 1HD2 ASN 22 7.164 7.681 -5.514 188 2HD2 ASN 22 2HD2 ASN 22 6.245 8.362 -6.810 189 H ARG 23 H ARG 23 2.338 8.254 -4.284 190 HA ARG 23 HA ARG 23 0.887 5.983 -3.628 191 1HB ARG 23 2HB ARG 23 0.099 7.938 -4.994 192 2HB ARG 23 1HB ARG 23 0.978 7.262 -6.358 193 1HG ARG 23 2HG ARG 23 -0.853 6.126 -6.867 194 2HG ARG 23 1HG ARG 23 -0.575 5.156 -5.420 195 1HD ARG 23 2HD ARG 23 -2.543 5.890 -4.680 196 2HD ARG 23 1HD ARG 23 -1.787 7.468 -4.472 197 HE ARG 23 HE ARG 23 -2.582 7.313 -7.118 198 1HH1 ARG 23 1HH1 ARG 23 -4.123 7.256 -3.977 199 2HH1 ARG 23 2HH1 ARG 23 -5.599 7.951 -4.556 200 1HH2 ARG 23 1HH2 ARG 23 -4.524 8.226 -7.869 201 2HH2 ARG 23 2HH2 ARG 23 -5.827 8.501 -6.762 202 H ASP 24 H ASP 24 3.607 6.330 -5.798 203 HA ASP 24 HA ASP 24 3.276 3.896 -7.176 204 1HB ASP 24 2HB ASP 24 5.573 5.761 -6.725 205 2HB ASP 24 1HB ASP 24 5.889 4.174 -7.421 206 H PHE 25 H PHE 25 4.715 4.694 -4.095 207 HA PHE 25 HA PHE 25 5.955 2.134 -3.721 208 1HB PHE 25 2HB PHE 25 6.501 4.447 -2.593 209 2HB PHE 25 1HB PHE 25 5.250 3.964 -1.450 210 HD1 PHE 25 1HD PHE 25 7.984 2.094 -3.167 211 HD2 PHE 25 2HD PHE 25 6.219 3.285 0.518 212 HE1 PHE 25 1HE PHE 25 9.638 0.747 -1.944 213 HE2 PHE 25 2HE PHE 25 7.871 1.940 1.748 214 HZ PHE 25 HZ PHE 25 9.584 0.668 0.517 215 H ILE 26 H ILE 26 3.043 3.768 -2.575 216 HA ILE 26 HA ILE 26 2.031 1.725 -0.947 217 HB ILE 26 HB ILE 26 0.569 3.847 -2.531 218 1HG1 ILE 26 2HG1 ILE 26 1.443 3.733 0.362 219 2HG1 ILE 26 1HG1 ILE 26 2.148 4.743 -0.894 220 1HG2 ILE 26 1HG2 ILE 26 -1.321 3.474 -1.007 221 2HG2 ILE 26 2HG2 ILE 26 -0.458 2.121 -0.276 222 3HG2 ILE 26 3HG2 ILE 26 -0.962 2.036 -1.963 223 1HD1 ILE 26 1HD1 ILE 26 -0.436 5.511 -1.029 224 2HD1 ILE 26 2HD1 ILE 26 0.788 6.302 -0.037 225 3HD1 ILE 26 3HD1 ILE 26 -0.296 5.112 0.683 226 H GLU 27 H GLU 27 1.614 2.400 -4.401 227 HA GLU 27 HA GLU 27 -0.157 0.194 -4.826 228 1HB GLU 27 2HB GLU 27 0.407 2.444 -6.236 229 2HB GLU 27 1HB GLU 27 1.359 1.265 -7.124 230 1HG GLU 27 2HG GLU 27 -0.484 0.100 -7.837 231 2HG GLU 27 1HG GLU 27 -1.481 0.643 -6.487 232 H LEU 28 H LEU 28 3.282 0.741 -5.012 233 HA LEU 28 HA LEU 28 3.961 -1.627 -6.409 234 1HB LEU 28 2HB LEU 28 5.616 0.010 -6.434 235 2HB LEU 28 1HB LEU 28 5.427 0.374 -4.733 236 HG LEU 28 HG LEU 28 6.566 -2.275 -5.539 237 1HD1 LEU 28 1HD1 LEU 28 7.691 -0.262 -6.740 238 2HD1 LEU 28 2HD1 LEU 28 8.693 -1.454 -5.911 239 3HD1 LEU 28 3HD1 LEU 28 8.344 0.094 -5.141 240 1HD2 LEU 28 1HD2 LEU 28 7.931 -1.586 -3.412 241 2HD2 LEU 28 2HD2 LEU 28 6.290 -2.211 -3.258 242 3HD2 LEU 28 3HD2 LEU 28 6.585 -0.475 -3.162 243 H ILE 29 H ILE 29 3.835 -0.811 -2.952 244 HA ILE 29 HA ILE 29 4.639 -3.384 -2.058 245 HB ILE 29 HB ILE 29 3.005 -1.346 -0.537 246 1HG1 ILE 29 2HG1 ILE 29 5.955 -1.617 -0.194 247 2HG1 ILE 29 1HG1 ILE 29 5.369 -0.740 -1.602 248 1HG2 ILE 29 1HG2 ILE 29 4.013 -2.418 1.439 249 2HG2 ILE 29 2HG2 ILE 29 4.762 -3.615 0.383 250 3HG2 ILE 29 3HG2 ILE 29 3.006 -3.526 0.508 251 1HD1 ILE 29 1HD1 ILE 29 4.261 -0.035 1.060 252 2HD1 ILE 29 2HD1 ILE 29 4.544 0.980 -0.354 253 3HD1 ILE 29 3HD1 ILE 29 5.898 0.481 0.658 254 H GLU 30 H GLU 30 1.582 -1.919 -2.911 255 HA GLU 30 HA GLU 30 -0.039 -4.030 -1.834 256 1HB GLU 30 2HB GLU 30 -0.718 -1.582 -2.317 257 2HB GLU 30 1HB GLU 30 -0.907 -2.111 -3.983 258 1HG GLU 30 2HG GLU 30 -2.287 -4.007 -2.505 259 2HG GLU 30 1HG GLU 30 -2.656 -2.477 -1.711 260 H ASN 31 H ASN 31 1.487 -3.283 -4.886 261 HA ASN 31 HA ASN 31 0.095 -5.205 -6.446 262 1HB ASN 31 2HB ASN 31 2.558 -3.545 -6.791 263 2HB ASN 31 1HB ASN 31 2.291 -4.891 -7.893 264 1HD2 ASN 31 1HD2 ASN 31 1.974 -3.600 -9.671 265 2HD2 ASN 31 2HD2 ASN 31 0.572 -2.612 -9.877 266 H GLU 32 H GLU 32 2.864 -5.336 -4.336 267 HA GLU 32 HA GLU 32 3.754 -7.909 -5.295 268 1HB GLU 32 2HB GLU 32 5.152 -6.028 -4.128 269 2HB GLU 32 1HB GLU 32 4.541 -6.744 -2.642 270 1HG GLU 32 2HG GLU 32 6.276 -8.119 -2.737 271 2HG GLU 32 1HG GLU 32 5.448 -8.917 -4.074 272 H ILE 33 H ILE 33 2.099 -6.616 -2.463 273 HA ILE 33 HA ILE 33 1.670 -9.076 -1.144 274 HB ILE 33 HB ILE 33 0.063 -6.511 -1.020 275 1HG1 ILE 33 2HG1 ILE 33 2.113 -7.419 0.981 276 2HG1 ILE 33 1HG1 ILE 33 2.585 -6.510 -0.451 277 1HG2 ILE 33 1HG2 ILE 33 -0.989 -8.687 -0.106 278 2HG2 ILE 33 2HG2 ILE 33 -0.963 -7.266 0.933 279 3HG2 ILE 33 3HG2 ILE 33 0.217 -8.551 1.172 280 1HD1 ILE 33 1HD1 ILE 33 2.277 -5.116 1.564 281 2HD1 ILE 33 2HD1 ILE 33 0.572 -5.569 1.575 282 3HD1 ILE 33 3HD1 ILE 33 1.232 -4.649 0.222 283 H LYS 34 H LYS 34 -0.022 -7.357 -3.694 284 HA LYS 34 HA LYS 34 -2.407 -8.903 -3.624 285 1HB LYS 34 2HB LYS 34 -1.160 -6.950 -5.488 286 2HB LYS 34 1HB LYS 34 -2.378 -8.028 -6.158 287 1HG LYS 34 2HG LYS 34 -3.082 -6.704 -3.622 288 2HG LYS 34 1HG LYS 34 -2.940 -5.659 -5.035 289 1HD LYS 34 2HD LYS 34 -4.637 -6.786 -6.184 290 2HD LYS 34 1HD LYS 34 -4.537 -8.196 -5.127 291 1HE LYS 34 2HE LYS 34 -5.201 -6.425 -3.288 292 2HE LYS 34 1HE LYS 34 -5.862 -5.569 -4.681 293 1HZ LYS 34 1HZ LYS 34 -6.553 -8.325 -3.814 294 2HZ LYS 34 2HZ LYS 34 -7.131 -7.587 -5.222 295 3HZ LYS 34 3HZ LYS 34 -7.544 -6.957 -3.707 296 H ARG 35 H ARG 35 0.540 -9.042 -5.602 297 HA ARG 35 HA ARG 35 -0.251 -11.342 -7.073 298 1HB ARG 35 2HB ARG 35 1.616 -9.570 -7.556 299 2HB ARG 35 1HB ARG 35 2.623 -10.643 -6.592 300 1HG ARG 35 2HG ARG 35 3.047 -11.606 -8.570 301 2HG ARG 35 1HG ARG 35 1.509 -12.421 -8.284 302 1HD ARG 35 2HD ARG 35 1.030 -9.854 -9.472 303 2HD ARG 35 1HD ARG 35 2.213 -10.738 -10.434 304 HE ARG 35 HE ARG 35 0.015 -12.398 -9.760 305 1HH1 ARG 35 1HH1 ARG 35 0.934 -9.789 -11.903 306 2HH1 ARG 35 2HH1 ARG 35 -0.220 -10.223 -13.119 307 1HH2 ARG 35 1HH2 ARG 35 -1.495 -12.962 -11.362 308 2HH2 ARG 35 2HH2 ARG 35 -1.596 -12.021 -12.814 309 H ARG 36 H ARG 36 1.083 -10.858 -3.922 310 HA ARG 36 HA ARG 36 2.091 -13.550 -3.649 311 1HB ARG 36 2HB ARG 36 1.972 -11.113 -1.929 312 2HB ARG 36 1HB ARG 36 2.203 -12.670 -1.154 313 1HG ARG 36 2HG ARG 36 3.984 -12.468 -3.378 314 2HG ARG 36 1HG ARG 36 4.133 -11.021 -2.379 315 1HD ARG 36 2HD ARG 36 5.596 -12.333 -1.251 316 2HD ARG 36 1HD ARG 36 4.120 -12.869 -0.449 317 HE ARG 36 HE ARG 36 4.741 -14.411 -2.779 318 1HH1 ARG 36 1HH1 ARG 36 5.439 -14.041 0.629 319 2HH1 ARG 36 2HH1 ARG 36 5.919 -15.692 0.832 320 1HH2 ARG 36 1HH2 ARG 36 5.372 -16.577 -2.503 321 2HH2 ARG 36 2HH2 ARG 36 5.881 -17.130 -0.943 322 H SER 37 H SER 37 -0.978 -12.556 -3.869 323 HA SER 37 HA SER 37 -2.988 -13.336 -3.154 324 1HB SER 37 2HB SER 37 -1.642 -15.531 -3.612 325 2HB SER 37 1HB SER 37 -1.621 -15.676 -1.855 326 HG SER 37 HG SER 37 -3.599 -16.256 -3.550 327 H LEU 38 H LEU 38 -1.485 -11.565 -1.475 328 HA LEU 38 HA LEU 38 -2.537 -12.327 1.175 329 1HB LEU 38 2HB LEU 38 0.036 -12.188 0.738 330 2HB LEU 38 1HB LEU 38 -0.233 -10.459 0.843 331 HG LEU 38 HG LEU 38 -1.326 -10.917 3.103 332 1HD1 LEU 38 1HD1 LEU 38 -1.065 -12.951 4.148 333 2HD1 LEU 38 2HD1 LEU 38 0.271 -13.437 3.105 334 3HD1 LEU 38 3HD1 LEU 38 -1.381 -13.451 2.486 335 1HD2 LEU 38 1HD2 LEU 38 0.836 -10.995 4.238 336 2HD2 LEU 38 2HD2 LEU 38 0.871 -9.894 2.860 337 3HD2 LEU 38 3HD2 LEU 38 1.611 -11.490 2.733 338 H GLY 39 H GLY 39 -3.661 -10.660 -1.147 339 1HA GLY 39 2HA GLY 39 -3.656 -7.949 -0.360 340 2HA GLY 39 1HA GLY 39 -4.865 -8.702 -1.379 341 H HIS 40 H HIS 40 -5.420 -10.705 0.831 342 HA HIS 40 HA HIS 40 -7.583 -9.339 2.009 343 1HB HIS 40 2HB HIS 40 -7.924 -11.332 3.340 344 2HB HIS 40 1HB HIS 40 -7.486 -11.804 1.703 345 HD1 HIS 40 1HD HIS 40 -7.109 -13.483 4.428 346 HD2 HIS 40 2HD HIS 40 -4.165 -11.510 2.263 347 HE1 HIS 40 1HE HIS 40 -4.950 -14.619 5.039 348 HE2 HIS 40 2HE HIS 40 -3.192 -13.455 3.660 349 H ILE 41 H ILE 41 -4.252 -9.624 2.902 350 HA ILE 41 HA ILE 41 -4.555 -8.968 5.661 351 HB ILE 41 HB ILE 41 -2.576 -10.131 4.447 352 1HG1 ILE 41 2HG1 ILE 41 -1.008 -9.415 6.192 353 2HG1 ILE 41 1HG1 ILE 41 -2.049 -8.044 6.563 354 1HG2 ILE 41 1HG2 ILE 41 -1.198 -7.526 4.374 355 2HG2 ILE 41 2HG2 ILE 41 -2.315 -7.865 3.052 356 3HG2 ILE 41 3HG2 ILE 41 -0.975 -8.963 3.376 357 1HD1 ILE 41 1HD1 ILE 41 -2.204 -10.111 8.045 358 2HD1 ILE 41 2HD1 ILE 41 -3.057 -10.858 6.694 359 3HD1 ILE 41 3HD1 ILE 41 -3.712 -9.410 7.459 360 H ILE 42 H ILE 42 -4.218 -7.172 2.701 361 HA ILE 42 HA ILE 42 -3.861 -4.631 4.097 362 HB ILE 42 HB ILE 42 -3.771 -3.693 1.745 363 1HG1 ILE 42 2HG1 ILE 42 -3.528 -6.592 0.978 364 2HG1 ILE 42 1HG1 ILE 42 -4.969 -5.624 0.718 365 1HG2 ILE 42 1HG2 ILE 42 -1.759 -5.805 2.462 366 2HG2 ILE 42 2HG2 ILE 42 -1.752 -4.126 3.005 367 3HG2 ILE 42 3HG2 ILE 42 -1.517 -4.502 1.298 368 1HD1 ILE 42 1HD1 ILE 42 -3.651 -4.106 -0.703 369 2HD1 ILE 42 2HD1 ILE 42 -3.691 -5.760 -1.315 370 3HD1 ILE 42 3HD1 ILE 42 -2.255 -5.161 -0.486 371 H SER 43 H SER 43 -5.236 -2.810 3.604 372 HA SER 43 HA SER 43 -8.031 -3.607 3.331 373 1HB SER 43 2HB SER 43 -7.419 -2.138 5.219 374 2HB SER 43 1HB SER 43 -6.823 -0.929 4.083 375 HG SER 43 HG SER 43 -9.034 -0.638 4.891 376 H VAL 44 H VAL 44 -7.689 -4.092 1.047 377 HA VAL 44 HA VAL 44 -7.058 -1.977 -0.784 378 HB VAL 44 HB VAL 44 -8.497 -4.417 -1.734 379 1HG1 VAL 44 1HG1 VAL 44 -6.432 -2.529 -2.729 380 2HG1 VAL 44 2HG1 VAL 44 -7.882 -3.142 -3.523 381 3HG1 VAL 44 3HG1 VAL 44 -6.457 -4.170 -3.375 382 1HG2 VAL 44 1HG2 VAL 44 -7.046 -5.490 -0.206 383 2HG2 VAL 44 2HG2 VAL 44 -5.711 -4.413 -0.618 384 3HG2 VAL 44 3HG2 VAL 44 -6.268 -5.611 -1.786 385 H SER 45 H SER 45 -8.586 -1.461 -2.624 386 HA SER 45 HA SER 45 -11.146 -0.680 -1.474 387 1HB SER 45 2HB SER 45 -10.052 1.125 -2.550 388 2HB SER 45 1HB SER 45 -9.649 0.144 -3.959 389 HG SER 45 HG SER 45 -11.377 1.272 -4.613 390 H SER 46 H SER 46 -12.317 -2.597 -1.498 391 HA SER 46 HA SER 46 -13.361 -3.336 -4.117 392 1HB SER 46 2HB SER 46 -12.225 -5.377 -2.189 393 2HB SER 46 1HB SER 46 -13.096 -5.749 -3.676 394 HG SER 46 HG SER 46 -10.556 -5.452 -3.477 Start of MODEL 8 1 1H MET 1 1HT MET 1 12.838 -5.618 -2.608 2 2H MET 1 2HT MET 1 12.271 -4.970 -1.122 3 3H MET 1 3HT MET 1 12.590 -3.929 -2.448 4 HA MET 1 HA MET 1 10.237 -4.356 -2.063 5 1HB MET 1 2HB MET 1 11.677 -4.099 -4.366 6 2HB MET 1 1HB MET 1 10.785 -5.579 -4.692 7 1HG MET 1 2HG MET 1 9.599 -2.921 -3.929 8 2HG MET 1 1HG MET 1 9.602 -3.642 -5.538 9 1HE MET 1 1HE MET 1 6.719 -3.974 -2.246 10 2HE MET 1 2HE MET 1 8.349 -3.302 -2.198 11 3HE MET 1 3HE MET 1 8.074 -4.981 -1.736 12 H ARG 2 H ARG 2 11.629 -7.144 -3.802 13 HA ARG 2 HA ARG 2 9.496 -8.845 -2.851 14 1HB ARG 2 2HB ARG 2 10.720 -8.830 -5.184 15 2HB ARG 2 1HB ARG 2 11.855 -9.890 -4.359 16 1HG ARG 2 2HG ARG 2 10.210 -11.531 -3.984 17 2HG ARG 2 1HG ARG 2 8.900 -10.421 -4.393 18 1HD ARG 2 2HD ARG 2 9.749 -10.330 -6.711 19 2HD ARG 2 1HD ARG 2 10.982 -11.514 -6.282 20 HE ARG 2 HE ARG 2 8.613 -12.686 -5.581 21 1HH1 ARG 2 1HH1 ARG 2 9.932 -11.366 -8.541 22 2HH1 ARG 2 2HH1 ARG 2 9.034 -12.439 -9.560 23 1HH2 ARG 2 1HH2 ARG 2 7.438 -14.092 -6.928 24 2HH2 ARG 2 2HH2 ARG 2 7.620 -13.983 -8.647 25 H LYS 3 H LYS 3 12.830 -8.230 -2.063 26 HA LYS 3 HA LYS 3 13.135 -10.665 -0.539 27 1HB LYS 3 2HB LYS 3 14.915 -9.047 -1.783 28 2HB LYS 3 1HB LYS 3 15.058 -8.457 -0.133 29 1HG LYS 3 2HG LYS 3 15.280 -11.367 -0.847 30 2HG LYS 3 1HG LYS 3 16.665 -10.273 -0.811 31 1HD LYS 3 2HD LYS 3 15.980 -9.710 1.564 32 2HD LYS 3 1HD LYS 3 14.874 -11.083 1.468 33 1HE LYS 3 2HE LYS 3 16.644 -12.215 2.291 34 2HE LYS 3 1HE LYS 3 17.137 -12.246 0.598 35 1HZ LYS 3 1HZ LYS 3 18.221 -9.967 1.279 36 2HZ LYS 3 2HZ LYS 3 19.020 -11.435 1.546 37 3HZ LYS 3 3HZ LYS 3 18.207 -10.671 2.818 38 H LEU 4 H LEU 4 10.979 -9.701 0.548 39 HA LEU 4 HA LEU 4 11.831 -8.895 3.205 40 1HB LEU 4 2HB LEU 4 9.525 -7.361 2.121 41 2HB LEU 4 1HB LEU 4 10.652 -6.933 3.390 42 HG LEU 4 HG LEU 4 11.529 -7.007 0.520 43 1HD1 LEU 4 1HD1 LEU 4 9.755 -5.524 0.317 44 2HD1 LEU 4 2HD1 LEU 4 11.126 -4.470 0.664 45 3HD1 LEU 4 3HD1 LEU 4 9.982 -4.878 1.943 46 1HD2 LEU 4 1HD2 LEU 4 12.555 -5.038 2.453 47 2HD2 LEU 4 2HD2 LEU 4 13.411 -6.006 1.253 48 3HD2 LEU 4 3HD2 LEU 4 12.948 -6.721 2.797 49 H SER 5 H SER 5 10.495 -9.625 4.805 50 HA SER 5 HA SER 5 8.687 -11.722 4.169 51 1HB SER 5 2HB SER 5 8.565 -10.461 6.857 52 2HB SER 5 1HB SER 5 8.668 -12.165 6.417 53 HG SER 5 HG SER 5 10.593 -11.186 7.408 54 H ASP 6 H ASP 6 6.407 -11.802 4.869 55 HA ASP 6 HA ASP 6 4.901 -9.734 3.723 56 1HB ASP 6 2HB ASP 6 3.615 -11.400 5.854 57 2HB ASP 6 1HB ASP 6 2.987 -10.892 4.296 58 H GLU 7 H GLU 7 6.176 -10.136 6.923 59 HA GLU 7 HA GLU 7 4.507 -8.204 8.193 60 1HB GLU 7 2HB GLU 7 6.828 -9.848 8.910 61 2HB GLU 7 1HB GLU 7 6.817 -8.273 9.694 62 1HG GLU 7 2HG GLU 7 5.688 -9.574 11.210 63 2HG GLU 7 1HG GLU 7 4.365 -8.866 10.283 64 H LEU 8 H LEU 8 7.639 -8.144 6.619 65 HA LEU 8 HA LEU 8 8.121 -5.368 7.211 66 1HB LEU 8 2HB LEU 8 9.508 -7.485 5.643 67 2HB LEU 8 1HB LEU 8 9.913 -5.806 5.336 68 HG LEU 8 HG LEU 8 11.447 -6.831 6.937 69 1HD1 LEU 8 1HD1 LEU 8 11.621 -4.983 8.241 70 2HD1 LEU 8 2HD1 LEU 8 9.900 -4.954 8.621 71 3HD1 LEU 8 3HD1 LEU 8 10.467 -4.374 7.055 72 1HD2 LEU 8 1HD2 LEU 8 10.778 -7.658 9.039 73 2HD2 LEU 8 2HD2 LEU 8 9.688 -8.396 7.866 74 3HD2 LEU 8 3HD2 LEU 8 9.140 -7.036 8.845 75 H LEU 9 H LEU 9 6.887 -7.261 4.527 76 HA LEU 9 HA LEU 9 6.827 -5.112 2.655 77 1HB LEU 9 2HB LEU 9 6.911 -7.401 1.880 78 2HB LEU 9 1HB LEU 9 5.414 -7.775 2.709 79 HG LEU 9 HG LEU 9 4.371 -5.976 1.154 80 1HD1 LEU 9 1HD1 LEU 9 6.258 -4.984 0.175 81 2HD1 LEU 9 2HD1 LEU 9 5.580 -6.012 -1.086 82 3HD1 LEU 9 3HD1 LEU 9 6.998 -6.543 -0.184 83 1HD2 LEU 9 1HD2 LEU 9 5.282 -8.689 0.209 84 2HD2 LEU 9 2HD2 LEU 9 4.092 -7.698 -0.635 85 3HD2 LEU 9 3HD2 LEU 9 3.758 -8.281 0.996 86 H ILE 10 H ILE 10 4.432 -6.617 4.773 87 HA ILE 10 HA ILE 10 2.308 -4.940 3.903 88 HB ILE 10 HB ILE 10 2.561 -6.636 6.383 89 1HG1 ILE 10 2HG1 ILE 10 0.838 -7.180 3.989 90 2HG1 ILE 10 1HG1 ILE 10 2.545 -7.616 3.973 91 1HG2 ILE 10 1HG2 ILE 10 0.896 -5.108 6.968 92 2HG2 ILE 10 2HG2 ILE 10 -0.010 -6.456 6.283 93 3HG2 ILE 10 3HG2 ILE 10 0.278 -5.009 5.319 94 1HD1 ILE 10 1HD1 ILE 10 2.218 -9.369 5.294 95 2HD1 ILE 10 2HD1 ILE 10 0.526 -9.188 4.853 96 3HD1 ILE 10 3HD1 ILE 10 1.121 -8.491 6.355 97 H GLU 11 H GLU 11 4.698 -4.795 6.452 98 HA GLU 11 HA GLU 11 3.586 -2.668 7.923 99 1HB GLU 11 2HB GLU 11 6.280 -3.887 7.656 100 2HB GLU 11 1HB GLU 11 6.197 -2.283 8.361 101 1HG GLU 11 2HG GLU 11 4.284 -4.222 9.452 102 2HG GLU 11 1HG GLU 11 5.981 -4.589 9.753 103 H SER 12 H SER 12 5.365 -2.802 4.933 104 HA SER 12 HA SER 12 6.042 -0.015 4.873 105 1HB SER 12 2HB SER 12 5.864 -1.985 2.573 106 2HB SER 12 1HB SER 12 6.686 -0.425 2.551 107 HG SER 12 HG SER 12 8.178 -2.071 2.927 108 H TYR 13 H TYR 13 3.522 -2.042 3.421 109 HA TYR 13 HA TYR 13 2.202 0.038 2.033 110 1HB TYR 13 2HB TYR 13 1.860 -2.404 1.611 111 2HB TYR 13 1HB TYR 13 0.988 -2.506 3.135 112 HD1 TYR 13 1HD TYR 13 -1.313 -2.325 3.086 113 HD2 TYR 13 2HD TYR 13 0.948 -0.545 -0.047 114 HE1 TYR 13 1HE TYR 13 -3.400 -1.704 1.940 115 HE2 TYR 13 2HE TYR 13 -1.132 0.080 -1.201 116 HH TYR 13 HH TYR 13 -4.177 -1.157 -0.304 117 H PHE 14 H PHE 14 1.913 -1.292 5.273 118 HA PHE 14 HA PHE 14 -0.374 0.245 6.011 119 1HB PHE 14 2HB PHE 14 1.666 -1.313 7.575 120 2HB PHE 14 1HB PHE 14 0.358 -0.452 8.360 121 HD1 PHE 14 1HD PHE 14 -0.007 -2.829 9.276 122 HD2 PHE 14 2HD PHE 14 -0.673 -1.766 5.205 123 HE1 PHE 14 1HE PHE 14 -1.446 -4.805 8.995 124 HE2 PHE 14 2HE PHE 14 -2.114 -3.738 4.923 125 HZ PHE 14 HZ PHE 14 -2.500 -5.266 6.816 126 H LYS 15 H LYS 15 3.105 0.539 6.583 127 HA LYS 15 HA LYS 15 2.989 2.908 8.118 128 1HB LYS 15 2HB LYS 15 5.166 1.573 6.527 129 2HB LYS 15 1HB LYS 15 5.436 3.111 7.330 130 1HG LYS 15 2HG LYS 15 4.444 0.681 8.786 131 2HG LYS 15 1HG LYS 15 6.158 1.045 8.584 132 1HD LYS 15 2HD LYS 15 5.903 2.156 10.527 133 2HD LYS 15 1HD LYS 15 5.233 3.424 9.497 134 1HE LYS 15 2HE LYS 15 3.110 3.057 10.199 135 2HE LYS 15 1HE LYS 15 3.356 1.320 10.378 136 1HZ LYS 15 1HZ LYS 15 3.810 3.470 12.300 137 2HZ LYS 15 2HZ LYS 15 4.884 2.165 12.340 138 3HZ LYS 15 3HZ LYS 15 3.227 1.901 12.548 139 H ALA 16 H ALA 16 3.320 2.279 4.670 140 HA ALA 16 HA ALA 16 3.824 4.960 3.916 141 1HB ALA 16 1HB ALA 16 2.918 2.536 2.400 142 2HB ALA 16 2HB ALA 16 4.495 3.326 2.376 143 3HB ALA 16 3HB ALA 16 3.104 4.108 1.624 144 H THR 17 H THR 17 0.859 3.066 4.218 145 HA THR 17 HA THR 17 -0.840 4.977 3.010 146 HB THR 17 HB THR 17 -2.663 3.759 4.237 147 HG1 THR 17 1HG THR 17 -2.056 2.710 5.933 148 1HG2 THR 17 1HG2 THR 17 -0.799 2.561 2.343 149 2HG2 THR 17 2HG2 THR 17 -2.562 2.615 2.331 150 3HG2 THR 17 3HG2 THR 17 -1.724 1.390 3.284 151 H GLU 18 H GLU 18 0.412 4.578 6.249 152 HA GLU 18 HA GLU 18 -1.352 6.461 7.469 153 1HB GLU 18 2HB GLU 18 0.845 4.740 8.296 154 2HB GLU 18 1HB GLU 18 0.884 6.300 9.105 155 1HG GLU 18 2HG GLU 18 -1.745 5.637 9.322 156 2HG GLU 18 1HG GLU 18 -0.966 4.058 9.416 157 H MET 19 H MET 19 1.996 6.608 6.337 158 HA MET 19 HA MET 19 2.230 9.398 7.015 159 1HB MET 19 2HB MET 19 4.479 9.215 6.250 160 2HB MET 19 1HB MET 19 4.113 7.772 7.174 161 1HG MET 19 2HG MET 19 3.920 6.468 5.194 162 2HG MET 19 1HG MET 19 4.011 7.901 4.174 163 1HE MET 19 1HE MET 19 6.602 5.367 6.357 164 2HE MET 19 2HE MET 19 7.103 5.118 4.685 165 3HE MET 19 3HE MET 19 5.398 5.019 5.118 166 H ASN 20 H ASN 20 1.055 7.663 4.335 167 HA ASN 20 HA ASN 20 0.174 8.369 2.355 168 1HB ASN 20 2HB ASN 20 1.201 11.150 2.881 169 2HB ASN 20 1HB ASN 20 -0.145 10.663 1.856 170 1HD2 ASN 20 1HD2 ASN 20 0.763 11.809 4.864 171 2HD2 ASN 20 2HD2 ASN 20 -0.736 11.583 5.694 172 H LEU 21 H LEU 21 2.693 7.238 2.619 173 HA LEU 21 HA LEU 21 4.817 8.476 1.330 174 1HB LEU 21 2HB LEU 21 4.547 6.152 2.532 175 2HB LEU 21 1HB LEU 21 4.253 5.567 0.909 176 HG LEU 21 HG LEU 21 6.715 7.166 1.479 177 1HD1 LEU 21 1HD1 LEU 21 7.191 4.323 1.639 178 2HD1 LEU 21 2HD1 LEU 21 6.116 4.868 2.924 179 3HD1 LEU 21 3HD1 LEU 21 7.698 5.617 2.723 180 1HD2 LEU 21 1HD2 LEU 21 7.186 6.628 -0.627 181 2HD2 LEU 21 2HD2 LEU 21 5.635 5.800 -0.757 182 3HD2 LEU 21 3HD2 LEU 21 7.068 4.911 -0.243 183 H ASN 22 H ASN 22 5.667 8.063 -0.862 184 HA ASN 22 HA ASN 22 4.145 8.954 -2.911 185 1HB ASN 22 2HB ASN 22 6.676 8.350 -2.806 186 2HB ASN 22 1HB ASN 22 6.162 6.813 -3.495 187 1HD2 ASN 22 1HD2 ASN 22 5.370 10.239 -3.999 188 2HD2 ASN 22 2HD2 ASN 22 5.556 10.202 -5.717 189 H ARG 23 H ARG 23 2.604 8.252 -4.250 190 HA ARG 23 HA ARG 23 1.085 5.994 -3.723 191 1HB ARG 23 2HB ARG 23 0.573 8.126 -5.138 192 2HB ARG 23 1HB ARG 23 1.175 7.162 -6.479 193 1HG ARG 23 2HG ARG 23 -0.960 6.522 -6.672 194 2HG ARG 23 1HG ARG 23 -0.563 5.423 -5.351 195 1HD ARG 23 2HD ARG 23 -2.381 6.391 -4.411 196 2HD ARG 23 1HD ARG 23 -1.189 7.594 -3.923 197 HE ARG 23 HE ARG 23 -2.149 8.357 -6.414 198 1HH1 ARG 23 1HH1 ARG 23 -3.409 7.942 -3.176 199 2HH1 ARG 23 2HH1 ARG 23 -4.633 9.150 -3.370 200 1HH2 ARG 23 1HH2 ARG 23 -3.759 9.943 -6.658 201 2HH2 ARG 23 2HH2 ARG 23 -4.832 10.284 -5.342 202 H ASP 24 H ASP 24 3.918 6.320 -5.720 203 HA ASP 24 HA ASP 24 3.530 3.949 -7.231 204 1HB ASP 24 2HB ASP 24 5.836 5.779 -6.709 205 2HB ASP 24 1HB ASP 24 6.162 4.197 -7.409 206 H PHE 25 H PHE 25 5.066 4.642 -4.147 207 HA PHE 25 HA PHE 25 6.180 2.018 -3.846 208 1HB PHE 25 2HB PHE 25 6.863 4.275 -2.684 209 2HB PHE 25 1HB PHE 25 5.615 3.832 -1.524 210 HD1 PHE 25 1HD PHE 25 8.322 1.991 -3.323 211 HD2 PHE 25 2HD PHE 25 6.481 2.940 0.393 212 HE1 PHE 25 1HE PHE 25 9.931 0.536 -2.159 213 HE2 PHE 25 2HE PHE 25 8.087 1.489 1.565 214 HZ PHE 25 HZ PHE 25 9.814 0.285 0.288 215 H ILE 26 H ILE 26 3.323 3.740 -2.715 216 HA ILE 26 HA ILE 26 2.264 1.737 -1.056 217 HB ILE 26 HB ILE 26 0.874 3.904 -2.645 218 1HG1 ILE 26 2HG1 ILE 26 1.710 3.725 0.256 219 2HG1 ILE 26 1HG1 ILE 26 2.440 4.746 -0.978 220 1HG2 ILE 26 1HG2 ILE 26 -0.226 2.085 -0.500 221 2HG2 ILE 26 2HG2 ILE 26 -0.782 2.237 -2.167 222 3HG2 ILE 26 3HG2 ILE 26 -1.017 3.569 -1.036 223 1HD1 ILE 26 1HD1 ILE 26 1.070 6.162 0.284 224 2HD1 ILE 26 2HD1 ILE 26 -0.258 5.003 0.301 225 3HD1 ILE 26 3HD1 ILE 26 0.160 5.842 -1.193 226 H GLU 27 H GLU 27 1.826 2.416 -4.512 227 HA GLU 27 HA GLU 27 0.025 0.240 -4.926 228 1HB GLU 27 2HB GLU 27 0.657 2.452 -6.368 229 2HB GLU 27 1HB GLU 27 1.588 1.238 -7.229 230 1HG GLU 27 2HG GLU 27 -0.259 0.159 -8.000 231 2HG GLU 27 1HG GLU 27 -1.242 0.615 -6.610 232 H LEU 28 H LEU 28 3.476 0.701 -5.101 233 HA LEU 28 HA LEU 28 4.116 -1.696 -6.457 234 1HB LEU 28 2HB LEU 28 5.807 -0.093 -6.465 235 2HB LEU 28 1HB LEU 28 5.606 0.276 -4.767 236 HG LEU 28 HG LEU 28 6.683 -2.402 -5.546 237 1HD1 LEU 28 1HD1 LEU 28 8.976 -1.227 -5.275 238 2HD1 LEU 28 2HD1 LEU 28 8.094 0.226 -5.743 239 3HD1 LEU 28 3HD1 LEU 28 8.151 -1.160 -6.833 240 1HD2 LEU 28 1HD2 LEU 28 6.766 -0.571 -3.190 241 2HD2 LEU 28 2HD2 LEU 28 8.053 -1.755 -3.422 242 3HD2 LEU 28 3HD2 LEU 28 6.380 -2.290 -3.264 243 H ILE 29 H ILE 29 3.983 -0.846 -3.009 244 HA ILE 29 HA ILE 29 4.698 -3.435 -2.088 245 HB ILE 29 HB ILE 29 3.100 -1.356 -0.586 246 1HG1 ILE 29 2HG1 ILE 29 6.025 -1.632 -0.165 247 2HG1 ILE 29 1HG1 ILE 29 5.520 -0.844 -1.654 248 1HG2 ILE 29 1HG2 ILE 29 3.909 -2.434 1.397 249 2HG2 ILE 29 2HG2 ILE 29 4.923 -3.521 0.446 250 3HG2 ILE 29 3HG2 ILE 29 3.166 -3.652 0.360 251 1HD1 ILE 29 1HD1 ILE 29 4.006 0.245 0.482 252 2HD1 ILE 29 2HD1 ILE 29 5.196 1.038 -0.548 253 3HD1 ILE 29 3HD1 ILE 29 5.708 0.246 0.942 254 H GLU 30 H GLU 30 1.694 -1.886 -2.977 255 HA GLU 30 HA GLU 30 0.005 -3.944 -1.898 256 1HB GLU 30 2HB GLU 30 -0.551 -1.446 -2.463 257 2HB GLU 30 1HB GLU 30 -0.857 -2.071 -4.076 258 1HG GLU 30 2HG GLU 30 -2.304 -3.816 -2.667 259 2HG GLU 30 1HG GLU 30 -2.381 -2.435 -1.574 260 H ASN 31 H ASN 31 1.552 -3.241 -4.955 261 HA ASN 31 HA ASN 31 0.123 -5.117 -6.525 262 1HB ASN 31 2HB ASN 31 2.664 -3.572 -6.834 263 2HB ASN 31 1HB ASN 31 2.352 -4.909 -7.937 264 1HD2 ASN 31 1HD2 ASN 31 2.343 -1.819 -8.021 265 2HD2 ASN 31 2HD2 ASN 31 0.906 -1.463 -8.912 266 H GLU 32 H GLU 32 2.859 -5.362 -4.383 267 HA GLU 32 HA GLU 32 3.629 -7.985 -5.314 268 1HB GLU 32 2HB GLU 32 5.125 -6.178 -4.169 269 2HB GLU 32 1HB GLU 32 4.455 -6.812 -2.673 270 1HG GLU 32 2HG GLU 32 6.440 -7.977 -2.922 271 2HG GLU 32 1HG GLU 32 5.225 -9.102 -3.527 272 H ILE 33 H ILE 33 2.025 -6.586 -2.501 273 HA ILE 33 HA ILE 33 1.468 -9.009 -1.168 274 HB ILE 33 HB ILE 33 -0.007 -6.366 -1.067 275 1HG1 ILE 33 2HG1 ILE 33 1.983 -7.372 0.949 276 2HG1 ILE 33 1HG1 ILE 33 2.509 -6.492 -0.482 277 1HG2 ILE 33 1HG2 ILE 33 0.028 -8.370 1.160 278 2HG2 ILE 33 2HG2 ILE 33 -1.154 -8.505 -0.140 279 3HG2 ILE 33 3HG2 ILE 33 -1.107 -7.056 0.860 280 1HD1 ILE 33 1HD1 ILE 33 2.264 -5.077 1.525 281 2HD1 ILE 33 2HD1 ILE 33 0.539 -5.445 1.535 282 3HD1 ILE 33 3HD1 ILE 33 1.245 -4.564 0.180 283 H LYS 34 H LYS 34 -0.112 -7.242 -3.751 284 HA LYS 34 HA LYS 34 -2.569 -8.688 -3.670 285 1HB LYS 34 2HB LYS 34 -1.258 -6.770 -5.537 286 2HB LYS 34 1HB LYS 34 -2.557 -7.770 -6.175 287 1HG LYS 34 2HG LYS 34 -3.629 -6.850 -3.831 288 2HG LYS 34 1HG LYS 34 -2.661 -5.479 -4.372 289 1HD LYS 34 2HD LYS 34 -3.812 -5.403 -6.465 290 2HD LYS 34 1HD LYS 34 -4.641 -6.924 -6.125 291 1HE LYS 34 2HE LYS 34 -5.768 -5.839 -4.213 292 2HE LYS 34 1HE LYS 34 -4.994 -4.316 -4.651 293 1HZ LYS 34 1HZ LYS 34 -6.124 -4.955 -6.962 294 2HZ LYS 34 2HZ LYS 34 -6.908 -4.036 -5.779 295 3HZ LYS 34 3HZ LYS 34 -7.224 -5.692 -5.910 296 H ARG 35 H ARG 35 0.348 -8.887 -5.695 297 HA ARG 35 HA ARG 35 -0.552 -11.157 -7.164 298 1HB ARG 35 2HB ARG 35 1.204 -9.531 -7.932 299 2HB ARG 35 1HB ARG 35 2.298 -10.241 -6.753 300 1HG ARG 35 2HG ARG 35 1.908 -12.451 -7.904 301 2HG ARG 35 1HG ARG 35 1.100 -11.540 -9.181 302 1HD ARG 35 2HD ARG 35 3.191 -10.167 -9.388 303 2HD ARG 35 1HD ARG 35 3.967 -11.304 -8.285 304 HE ARG 35 HE ARG 35 2.752 -12.604 -10.522 305 1HH1 ARG 35 1HH1 ARG 35 5.615 -10.882 -9.484 306 2HH1 ARG 35 2HH1 ARG 35 6.635 -11.619 -10.673 307 1HH2 ARG 35 1HH2 ARG 35 4.098 -13.567 -12.079 308 2HH2 ARG 35 2HH2 ARG 35 5.775 -13.141 -12.144 309 H ARG 36 H ARG 36 0.951 -10.711 -4.082 310 HA ARG 36 HA ARG 36 1.939 -13.409 -3.869 311 1HB ARG 36 2HB ARG 36 1.887 -10.992 -2.120 312 2HB ARG 36 1HB ARG 36 2.140 -12.559 -1.369 313 1HG ARG 36 2HG ARG 36 4.020 -12.907 -3.017 314 2HG ARG 36 1HG ARG 36 3.843 -11.202 -3.437 315 1HD ARG 36 2HD ARG 36 4.756 -10.494 -1.497 316 2HD ARG 36 1HD ARG 36 4.030 -11.798 -0.557 317 HE ARG 36 HE ARG 36 6.021 -12.885 -2.197 318 1HH1 ARG 36 1HH1 ARG 36 5.739 -10.764 0.571 319 2HH1 ARG 36 2HH1 ARG 36 7.295 -11.183 1.201 320 1HH2 ARG 36 1HH2 ARG 36 8.064 -13.430 -1.361 321 2HH2 ARG 36 2HH2 ARG 36 8.614 -12.692 0.107 322 H SER 37 H SER 37 -1.145 -12.363 -3.918 323 HA SER 37 HA SER 37 -3.121 -13.188 -3.160 324 1HB SER 37 2HB SER 37 -2.136 -15.364 -3.804 325 2HB SER 37 1HB SER 37 -1.433 -15.511 -2.194 326 HG SER 37 HG SER 37 -3.359 -16.631 -2.212 327 H LEU 38 H LEU 38 -1.606 -11.419 -1.525 328 HA LEU 38 HA LEU 38 -2.531 -12.226 1.162 329 1HB LEU 38 2HB LEU 38 0.024 -12.006 0.600 330 2HB LEU 38 1HB LEU 38 -0.296 -10.290 0.757 331 HG LEU 38 HG LEU 38 -1.254 -10.825 3.055 332 1HD1 LEU 38 1HD1 LEU 38 -0.082 -13.465 2.293 333 2HD1 LEU 38 2HD1 LEU 38 -1.613 -13.108 3.091 334 3HD1 LEU 38 3HD1 LEU 38 -0.097 -12.950 3.979 335 1HD2 LEU 38 1HD2 LEU 38 1.008 -10.958 4.064 336 2HD2 LEU 38 2HD2 LEU 38 0.870 -9.727 2.809 337 3HD2 LEU 38 3HD2 LEU 38 1.666 -11.261 2.457 338 H GLY 39 H GLY 39 -3.894 -10.711 -1.022 339 1HA GLY 39 2HA GLY 39 -3.938 -7.947 -0.304 340 2HA GLY 39 1HA GLY 39 -5.099 -8.774 -1.332 341 H HIS 40 H HIS 40 -5.178 -10.627 1.325 342 HA HIS 40 HA HIS 40 -7.531 -9.284 2.331 343 1HB HIS 40 2HB HIS 40 -7.250 -11.829 1.985 344 2HB HIS 40 1HB HIS 40 -6.336 -11.778 3.485 345 HD1 HIS 40 1HD HIS 40 -9.807 -11.323 2.142 346 HD2 HIS 40 2HD HIS 40 -7.844 -11.495 5.800 347 HE1 HIS 40 1HE HIS 40 -11.625 -11.480 3.873 348 HE2 HIS 40 2HE HIS 40 -10.415 -11.493 6.083 349 H ILE 41 H ILE 41 -4.228 -9.894 3.250 350 HA ILE 41 HA ILE 41 -4.360 -9.226 5.969 351 HB ILE 41 HB ILE 41 -2.426 -10.261 4.570 352 1HG1 ILE 41 2HG1 ILE 41 -0.779 -9.571 6.258 353 2HG1 ILE 41 1HG1 ILE 41 -1.847 -8.264 6.760 354 1HG2 ILE 41 1HG2 ILE 41 -1.207 -7.558 4.534 355 2HG2 ILE 41 2HG2 ILE 41 -2.317 -7.983 3.233 356 3HG2 ILE 41 3HG2 ILE 41 -0.884 -8.961 3.518 357 1HD1 ILE 41 1HD1 ILE 41 -1.759 -10.850 7.758 358 2HD1 ILE 41 2HD1 ILE 41 -3.221 -10.793 6.773 359 3HD1 ILE 41 3HD1 ILE 41 -2.990 -9.628 8.077 360 H ILE 42 H ILE 42 -4.181 -7.318 3.067 361 HA ILE 42 HA ILE 42 -3.729 -4.813 4.421 362 HB ILE 42 HB ILE 42 -4.190 -3.833 2.125 363 1HG1 ILE 42 2HG1 ILE 42 -4.098 -6.736 1.285 364 2HG1 ILE 42 1HG1 ILE 42 -5.521 -5.699 1.234 365 1HG2 ILE 42 1HG2 ILE 42 -1.985 -5.859 2.334 366 2HG2 ILE 42 2HG2 ILE 42 -1.948 -4.217 2.977 367 3HG2 ILE 42 3HG2 ILE 42 -2.037 -4.480 1.235 368 1HD1 ILE 42 1HD1 ILE 42 -4.870 -5.468 -0.908 369 2HD1 ILE 42 2HD1 ILE 42 -3.178 -5.811 -0.546 370 3HD1 ILE 42 3HD1 ILE 42 -3.844 -4.213 -0.213 371 H SER 43 H SER 43 -5.215 -3.021 4.343 372 HA SER 43 HA SER 43 -7.909 -3.842 4.910 373 1HB SER 43 2HB SER 43 -7.060 -2.091 6.287 374 2HB SER 43 1HB SER 43 -6.532 -1.153 4.890 375 HG SER 43 HG SER 43 -8.443 -0.279 5.636 376 H VAL 44 H VAL 44 -7.895 -4.727 2.574 377 HA VAL 44 HA VAL 44 -9.020 -2.672 0.786 378 HB VAL 44 HB VAL 44 -7.563 -5.176 -0.069 379 1HG1 VAL 44 1HG1 VAL 44 -7.470 -3.890 -2.253 380 2HG1 VAL 44 2HG1 VAL 44 -8.699 -2.831 -1.558 381 3HG1 VAL 44 3HG1 VAL 44 -9.038 -4.548 -1.784 382 1HG2 VAL 44 1HG2 VAL 44 -6.600 -2.341 0.172 383 2HG2 VAL 44 2HG2 VAL 44 -5.774 -3.576 -0.775 384 3HG2 VAL 44 3HG2 VAL 44 -5.955 -3.773 0.969 385 H SER 45 H SER 45 -10.622 -3.480 -0.760 386 HA SER 45 HA SER 45 -12.258 -5.591 0.456 387 1HB SER 45 2HB SER 45 -12.863 -3.122 -1.082 388 2HB SER 45 1HB SER 45 -13.925 -4.503 -1.353 389 HG SER 45 HG SER 45 -14.826 -3.540 0.355 390 H SER 46 H SER 46 -11.205 -7.375 -0.424 391 HA SER 46 HA SER 46 -11.774 -7.817 -3.268 392 1HB SER 46 2HB SER 46 -9.125 -7.915 -1.926 393 2HB SER 46 1HB SER 46 -9.477 -9.202 -3.079 394 HG SER 46 HG SER 46 -8.480 -7.296 -3.998 Start of MODEL 9 1 1H MET 1 1HT MET 1 11.194 -6.103 -1.247 2 2H MET 1 2HT MET 1 10.962 -4.414 -1.049 3 3H MET 1 3HT MET 1 12.412 -5.007 -1.749 4 HA MET 1 HA MET 1 9.708 -4.924 -2.864 5 1HB MET 1 2HB MET 1 12.364 -3.706 -3.339 6 2HB MET 1 1HB MET 1 11.467 -4.158 -4.782 7 1HG MET 1 2HG MET 1 10.682 -2.057 -4.538 8 2HG MET 1 1HG MET 1 9.520 -2.890 -3.508 9 1HE MET 1 1HE MET 1 9.290 -2.822 -1.220 10 2HE MET 1 2HE MET 1 8.880 -1.117 -1.409 11 3HE MET 1 3HE MET 1 9.970 -1.623 -0.119 12 H ARG 2 H ARG 2 12.758 -6.650 -2.868 13 HA ARG 2 HA ARG 2 12.090 -8.204 -5.210 14 1HB ARG 2 2HB ARG 2 14.448 -7.496 -4.350 15 2HB ARG 2 1HB ARG 2 14.297 -8.901 -3.305 16 1HG ARG 2 2HG ARG 2 14.165 -10.375 -5.157 17 2HG ARG 2 1HG ARG 2 13.977 -9.035 -6.291 18 1HD ARG 2 2HD ARG 2 16.192 -8.538 -6.281 19 2HD ARG 2 1HD ARG 2 16.401 -9.016 -4.597 20 HE ARG 2 HE ARG 2 17.070 -11.061 -5.333 21 1HH1 ARG 2 1HH1 ARG 2 15.159 -9.589 -7.868 22 2HH1 ARG 2 2HH1 ARG 2 15.430 -10.883 -8.987 23 1HH2 ARG 2 1HH2 ARG 2 17.421 -12.754 -6.809 24 2HH2 ARG 2 2HH2 ARG 2 16.711 -12.676 -8.388 25 H LYS 3 H LYS 3 12.524 -8.879 -1.737 26 HA LYS 3 HA LYS 3 10.388 -10.777 -1.739 27 1HB LYS 3 2HB LYS 3 12.694 -11.856 -2.647 28 2HB LYS 3 1HB LYS 3 12.899 -12.109 -0.920 29 1HG LYS 3 2HG LYS 3 11.302 -13.688 -0.825 30 2HG LYS 3 1HG LYS 3 10.268 -12.861 -1.992 31 1HD LYS 3 2HD LYS 3 12.791 -14.325 -2.745 32 2HD LYS 3 1HD LYS 3 11.191 -15.071 -2.757 33 1HE LYS 3 2HE LYS 3 10.602 -14.045 -4.664 34 2HE LYS 3 1HE LYS 3 11.322 -12.513 -4.174 35 1HZ LYS 3 1HZ LYS 3 13.365 -13.101 -5.026 36 2HZ LYS 3 2HZ LYS 3 12.317 -13.795 -6.157 37 3HZ LYS 3 3HZ LYS 3 13.045 -14.762 -4.975 38 H LEU 4 H LEU 4 9.545 -9.710 -0.006 39 HA LEU 4 HA LEU 4 11.103 -9.849 2.494 40 1HB LEU 4 2HB LEU 4 9.016 -7.751 2.147 41 2HB LEU 4 1HB LEU 4 10.443 -7.745 3.162 42 HG LEU 4 HG LEU 4 10.397 -7.340 0.168 43 1HD1 LEU 4 1HD1 LEU 4 10.805 -5.464 2.484 44 2HD1 LEU 4 2HD1 LEU 4 9.562 -5.394 1.235 45 3HD1 LEU 4 3HD1 LEU 4 11.245 -5.071 0.822 46 1HD2 LEU 4 1HD2 LEU 4 12.645 -7.447 0.115 47 2HD2 LEU 4 2HD2 LEU 4 12.436 -8.455 1.548 48 3HD2 LEU 4 3HD2 LEU 4 12.822 -6.743 1.723 49 H SER 5 H SER 5 10.001 -10.470 4.338 50 HA SER 5 HA SER 5 7.812 -12.199 4.043 51 1HB SER 5 2HB SER 5 8.523 -10.834 6.634 52 2HB SER 5 1HB SER 5 7.856 -12.450 6.394 53 HG SER 5 HG SER 5 10.474 -11.551 6.180 54 H ASP 6 H ASP 6 5.652 -11.991 4.991 55 HA ASP 6 HA ASP 6 4.258 -9.782 4.046 56 1HB ASP 6 2HB ASP 6 3.253 -11.348 6.418 57 2HB ASP 6 1HB ASP 6 2.331 -10.622 5.109 58 H GLU 7 H GLU 7 5.928 -10.243 7.061 59 HA GLU 7 HA GLU 7 4.706 -8.091 8.457 60 1HB GLU 7 2HB GLU 7 6.854 -9.989 8.922 61 2HB GLU 7 1HB GLU 7 7.282 -8.388 9.508 62 1HG GLU 7 2HG GLU 7 5.004 -8.406 10.667 63 2HG GLU 7 1HG GLU 7 4.998 -10.139 10.338 64 H LEU 8 H LEU 8 7.470 -8.380 6.339 65 HA LEU 8 HA LEU 8 8.319 -5.655 6.738 66 1HB LEU 8 2HB LEU 8 9.222 -7.950 5.078 67 2HB LEU 8 1HB LEU 8 9.712 -6.334 4.604 68 HG LEU 8 HG LEU 8 11.346 -7.593 6.034 69 1HD1 LEU 8 1HD1 LEU 8 11.231 -5.092 5.752 70 2HD1 LEU 8 2HD1 LEU 8 12.051 -5.673 7.201 71 3HD1 LEU 8 3HD1 LEU 8 10.405 -5.047 7.309 72 1HD2 LEU 8 1HD2 LEU 8 10.949 -7.713 8.423 73 2HD2 LEU 8 2HD2 LEU 8 9.721 -8.630 7.551 74 3HD2 LEU 8 3HD2 LEU 8 9.333 -7.038 8.204 75 H LEU 9 H LEU 9 6.548 -7.492 4.311 76 HA LEU 9 HA LEU 9 6.372 -5.317 2.466 77 1HB LEU 9 2HB LEU 9 6.180 -7.889 2.059 78 2HB LEU 9 1HB LEU 9 4.489 -7.640 2.454 79 HG LEU 9 HG LEU 9 4.329 -5.989 0.613 80 1HD1 LEU 9 1HD1 LEU 9 6.222 -6.112 -1.086 81 2HD1 LEU 9 2HD1 LEU 9 7.200 -6.773 0.224 82 3HD1 LEU 9 3HD1 LEU 9 6.508 -5.158 0.369 83 1HD2 LEU 9 1HD2 LEU 9 5.417 -8.613 -0.377 84 2HD2 LEU 9 2HD2 LEU 9 4.200 -7.585 -1.132 85 3HD2 LEU 9 3HD2 LEU 9 3.824 -8.446 0.360 86 H ILE 10 H ILE 10 4.294 -6.613 4.996 87 HA ILE 10 HA ILE 10 2.085 -4.944 4.295 88 HB ILE 10 HB ILE 10 2.633 -6.533 6.795 89 1HG1 ILE 10 2HG1 ILE 10 0.598 -7.066 4.641 90 2HG1 ILE 10 1HG1 ILE 10 2.251 -7.665 4.526 91 1HG2 ILE 10 1HG2 ILE 10 -0.131 -6.040 6.534 92 2HG2 ILE 10 2HG2 ILE 10 0.681 -4.484 6.362 93 3HG2 ILE 10 3HG2 ILE 10 0.959 -5.470 7.797 94 1HD1 ILE 10 1HD1 ILE 10 0.654 -9.314 5.412 95 2HD1 ILE 10 2HD1 ILE 10 0.381 -8.253 6.794 96 3HD1 ILE 10 3HD1 ILE 10 1.974 -8.951 6.520 97 H GLU 11 H GLU 11 4.711 -4.786 6.634 98 HA GLU 11 HA GLU 11 3.830 -2.507 8.018 99 1HB GLU 11 2HB GLU 11 6.424 -3.895 7.647 100 2HB GLU 11 1HB GLU 11 6.490 -2.245 8.229 101 1HG GLU 11 2HG GLU 11 4.545 -3.931 9.616 102 2HG GLU 11 1HG GLU 11 6.220 -4.450 9.792 103 H SER 12 H SER 12 5.373 -2.924 4.924 104 HA SER 12 HA SER 12 6.161 -0.175 4.635 105 1HB SER 12 2HB SER 12 7.034 -2.329 3.387 106 2HB SER 12 1HB SER 12 5.705 -1.980 2.283 107 HG SER 12 HG SER 12 7.433 -0.880 1.498 108 H TYR 13 H TYR 13 3.478 -2.183 3.519 109 HA TYR 13 HA TYR 13 2.163 -0.122 2.066 110 1HB TYR 13 2HB TYR 13 1.804 -2.593 1.747 111 2HB TYR 13 1HB TYR 13 0.927 -2.605 3.272 112 HD1 TYR 13 1HD TYR 13 -1.369 -2.477 3.158 113 HD2 TYR 13 2HD TYR 13 0.930 -0.696 0.055 114 HE1 TYR 13 1HE TYR 13 -3.441 -1.868 1.981 115 HE2 TYR 13 2HE TYR 13 -1.135 -0.081 -1.131 116 HH TYR 13 HH TYR 13 -4.161 -1.351 -0.332 117 H PHE 14 H PHE 14 2.014 -1.327 5.358 118 HA PHE 14 HA PHE 14 -0.255 0.248 6.100 119 1HB PHE 14 2HB PHE 14 1.771 -1.342 7.647 120 2HB PHE 14 1HB PHE 14 0.523 -0.413 8.455 121 HD1 PHE 14 1HD PHE 14 -0.062 -2.652 9.469 122 HD2 PHE 14 2HD PHE 14 -0.513 -1.850 5.309 123 HE1 PHE 14 1HE PHE 14 -1.589 -4.571 9.262 124 HE2 PHE 14 2HE PHE 14 -2.040 -3.765 5.102 125 HZ PHE 14 HZ PHE 14 -2.578 -5.138 7.075 126 H LYS 15 H LYS 15 3.242 0.576 6.352 127 HA LYS 15 HA LYS 15 3.253 2.913 7.948 128 1HB LYS 15 2HB LYS 15 5.251 1.578 6.161 129 2HB LYS 15 1HB LYS 15 5.581 3.186 6.775 130 1HG LYS 15 2HG LYS 15 4.895 0.863 8.554 131 2HG LYS 15 1HG LYS 15 6.547 1.296 8.109 132 1HD LYS 15 2HD LYS 15 6.508 2.614 9.918 133 2HD LYS 15 1HD LYS 15 5.508 3.695 8.947 134 1HE LYS 15 2HE LYS 15 3.544 2.224 9.797 135 2HE LYS 15 1HE LYS 15 4.684 1.728 11.047 136 1HZ LYS 15 1HZ LYS 15 4.604 4.572 10.692 137 2HZ LYS 15 2HZ LYS 15 4.444 3.656 12.105 138 3HZ LYS 15 3HZ LYS 15 3.096 3.935 11.122 139 H ALA 16 H ALA 16 3.722 2.458 4.453 140 HA ALA 16 HA ALA 16 3.825 5.160 3.773 141 1HB ALA 16 1HB ALA 16 3.129 2.697 2.215 142 2HB ALA 16 2HB ALA 16 4.595 3.675 2.148 143 3HB ALA 16 3HB ALA 16 3.088 4.297 1.474 144 H THR 17 H THR 17 1.076 3.058 4.324 145 HA THR 17 HA THR 17 -0.850 4.778 3.129 146 HB THR 17 HB THR 17 -2.442 3.435 4.671 147 HG1 THR 17 1HG THR 17 -1.600 1.762 5.726 148 1HG2 THR 17 1HG2 THR 17 -2.674 2.545 2.635 149 2HG2 THR 17 2HG2 THR 17 -1.684 1.243 3.295 150 3HG2 THR 17 3HG2 THR 17 -0.936 2.517 2.333 151 H GLU 18 H GLU 18 0.604 4.537 6.301 152 HA GLU 18 HA GLU 18 -1.236 6.344 7.553 153 1HB GLU 18 2HB GLU 18 1.059 4.732 8.353 154 2HB GLU 18 1HB GLU 18 1.020 6.296 9.154 155 1HG GLU 18 2HG GLU 18 -1.495 5.647 9.567 156 2HG GLU 18 1HG GLU 18 -0.870 4.013 9.346 157 H MET 19 H MET 19 2.088 6.591 6.370 158 HA MET 19 HA MET 19 2.255 9.394 6.996 159 1HB MET 19 2HB MET 19 4.474 9.265 6.059 160 2HB MET 19 1HB MET 19 4.211 7.899 7.125 161 1HG MET 19 2HG MET 19 3.966 6.416 5.302 162 2HG MET 19 1HG MET 19 3.881 7.742 4.146 163 1HE MET 19 1HE MET 19 7.413 5.321 4.755 164 2HE MET 19 2HE MET 19 5.735 5.028 4.303 165 3HE MET 19 3HE MET 19 6.167 5.237 5.999 166 H ASN 20 H ASN 20 1.076 7.581 4.354 167 HA ASN 20 HA ASN 20 0.124 8.230 2.390 168 1HB ASN 20 2HB ASN 20 0.973 11.069 2.925 169 2HB ASN 20 1HB ASN 20 -0.346 10.505 1.906 170 1HD2 ASN 20 1HD2 ASN 20 -2.226 9.674 2.901 171 2HD2 ASN 20 2HD2 ASN 20 -2.640 10.112 4.520 172 H LEU 21 H LEU 21 2.714 7.256 2.569 173 HA LEU 21 HA LEU 21 4.711 8.653 1.232 174 1HB LEU 21 2HB LEU 21 4.662 6.316 2.427 175 2HB LEU 21 1HB LEU 21 4.336 5.709 0.818 176 HG LEU 21 HG LEU 21 6.701 7.480 1.269 177 1HD1 LEU 21 1HD1 LEU 21 7.772 4.985 1.448 178 2HD1 LEU 21 2HD1 LEU 21 6.300 4.815 2.405 179 3HD1 LEU 21 3HD1 LEU 21 7.478 6.063 2.811 180 1HD2 LEU 21 1HD2 LEU 21 5.626 5.914 -0.877 181 2HD2 LEU 21 2HD2 LEU 21 7.218 5.291 -0.445 182 3HD2 LEU 21 3HD2 LEU 21 7.025 6.988 -0.878 183 H ASN 22 H ASN 22 5.524 8.300 -0.986 184 HA ASN 22 HA ASN 22 3.912 9.113 -2.987 185 1HB ASN 22 2HB ASN 22 6.445 8.695 -3.004 186 2HB ASN 22 1HB ASN 22 6.047 7.070 -3.554 187 1HD2 ASN 22 1HD2 ASN 22 5.812 10.481 -4.318 188 2HD2 ASN 22 2HD2 ASN 22 5.612 10.278 -6.022 189 H ARG 23 H ARG 23 2.457 8.329 -4.402 190 HA ARG 23 HA ARG 23 0.961 6.067 -3.829 191 1HB ARG 23 2HB ARG 23 0.236 8.014 -5.220 192 2HB ARG 23 1HB ARG 23 1.210 7.375 -6.536 193 1HG ARG 23 2HG ARG 23 -0.673 6.360 -7.170 194 2HG ARG 23 1HG ARG 23 -0.304 5.210 -5.884 195 1HD ARG 23 2HD ARG 23 -2.024 5.901 -4.622 196 2HD ARG 23 1HD ARG 23 -1.701 7.602 -4.952 197 HE ARG 23 HE ARG 23 -2.852 6.235 -7.189 198 1HH1 ARG 23 1HH1 ARG 23 -3.596 7.853 -4.177 199 2HH1 ARG 23 2HH1 ARG 23 -5.208 8.264 -4.659 200 1HH2 ARG 23 1HH2 ARG 23 -4.968 6.780 -7.812 201 2HH2 ARG 23 2HH2 ARG 23 -5.986 7.656 -6.718 202 H ASP 24 H ASP 24 3.763 6.402 -5.906 203 HA ASP 24 HA ASP 24 3.477 3.960 -7.274 204 1HB ASP 24 2HB ASP 24 5.173 6.060 -7.508 205 2HB ASP 24 1HB ASP 24 6.235 4.888 -6.733 206 H PHE 25 H PHE 25 4.903 4.768 -4.172 207 HA PHE 25 HA PHE 25 6.106 2.200 -3.778 208 1HB PHE 25 2HB PHE 25 6.658 4.505 -2.642 209 2HB PHE 25 1HB PHE 25 5.389 4.037 -1.516 210 HD1 PHE 25 1HD PHE 25 8.194 2.223 -3.185 211 HD2 PHE 25 2HD PHE 25 6.255 3.265 0.457 212 HE1 PHE 25 1HE PHE 25 9.816 0.859 -1.936 213 HE2 PHE 25 2HE PHE 25 7.874 1.902 1.714 214 HZ PHE 25 HZ PHE 25 9.658 0.698 0.517 215 H ILE 26 H ILE 26 3.171 3.830 -2.674 216 HA ILE 26 HA ILE 26 2.176 1.746 -1.071 217 HB ILE 26 HB ILE 26 0.757 3.976 -2.540 218 1HG1 ILE 26 2HG1 ILE 26 1.599 3.603 0.341 219 2HG1 ILE 26 1HG1 ILE 26 2.279 4.742 -0.814 220 1HG2 ILE 26 1HG2 ILE 26 -0.384 2.123 -0.442 221 2HG2 ILE 26 2HG2 ILE 26 -0.823 2.143 -2.150 222 3HG2 ILE 26 3HG2 ILE 26 -1.194 3.531 -1.128 223 1HD1 ILE 26 1HD1 ILE 26 -0.298 4.848 0.665 224 2HD1 ILE 26 2HD1 ILE 26 -0.172 5.647 -0.902 225 3HD1 ILE 26 3HD1 ILE 26 0.913 6.105 0.411 226 H GLU 27 H GLU 27 1.771 2.502 -4.511 227 HA GLU 27 HA GLU 27 -0.035 0.338 -4.991 228 1HB GLU 27 2HB GLU 27 0.559 2.572 -6.376 229 2HB GLU 27 1HB GLU 27 1.579 1.425 -7.229 230 1HG GLU 27 2HG GLU 27 -0.229 1.028 -8.466 231 2HG GLU 27 1HG GLU 27 -0.779 0.070 -7.091 232 H LEU 28 H LEU 28 3.416 0.812 -5.124 233 HA LEU 28 HA LEU 28 4.058 -1.581 -6.505 234 1HB LEU 28 2HB LEU 28 5.724 0.051 -6.555 235 2HB LEU 28 1HB LEU 28 5.553 0.421 -4.854 236 HG LEU 28 HG LEU 28 6.662 -2.237 -5.664 237 1HD1 LEU 28 1HD1 LEU 28 8.921 -0.899 -5.321 238 2HD1 LEU 28 2HD1 LEU 28 7.949 0.419 -5.975 239 3HD1 LEU 28 3HD1 LEU 28 8.167 -1.061 -6.907 240 1HD2 LEU 28 1HD2 LEU 28 6.411 -2.181 -3.384 241 2HD2 LEU 28 2HD2 LEU 28 6.691 -0.442 -3.287 242 3HD2 LEU 28 3HD2 LEU 28 8.047 -1.541 -3.543 243 H ILE 29 H ILE 29 3.925 -0.709 -3.066 244 HA ILE 29 HA ILE 29 4.729 -3.263 -2.124 245 HB ILE 29 HB ILE 29 3.098 -1.173 -0.667 246 1HG1 ILE 29 2HG1 ILE 29 6.022 -1.510 -0.218 247 2HG1 ILE 29 1HG1 ILE 29 5.520 -0.683 -1.688 248 1HG2 ILE 29 1HG2 ILE 29 4.806 -3.423 0.386 249 2HG2 ILE 29 2HG2 ILE 29 3.044 -3.375 0.384 250 3HG2 ILE 29 3HG2 ILE 29 3.954 -2.224 1.358 251 1HD1 ILE 29 1HD1 ILE 29 5.148 1.181 -0.560 252 2HD1 ILE 29 2HD1 ILE 29 5.799 0.392 0.875 253 3HD1 ILE 29 3HD1 ILE 29 4.066 0.346 0.554 254 H GLU 30 H GLU 30 1.668 -1.822 -3.008 255 HA GLU 30 HA GLU 30 0.061 -3.934 -1.909 256 1HB GLU 30 2HB GLU 30 -0.593 -1.462 -2.464 257 2HB GLU 30 1HB GLU 30 -0.885 -2.093 -4.078 258 1HG GLU 30 2HG GLU 30 -2.100 -3.679 -1.949 259 2HG GLU 30 1HG GLU 30 -2.702 -2.025 -2.048 260 H ASN 31 H ASN 31 1.548 -3.196 -4.986 261 HA ASN 31 HA ASN 31 0.148 -5.097 -6.544 262 1HB ASN 31 2HB ASN 31 2.669 -3.521 -6.859 263 2HB ASN 31 1HB ASN 31 2.373 -4.859 -7.963 264 1HD2 ASN 31 1HD2 ASN 31 2.554 -2.596 -9.186 265 2HD2 ASN 31 2HD2 ASN 31 1.020 -1.938 -9.629 266 H GLU 32 H GLU 32 2.974 -5.288 -4.492 267 HA GLU 32 HA GLU 32 3.713 -7.929 -5.393 268 1HB GLU 32 2HB GLU 32 5.384 -6.315 -4.498 269 2HB GLU 32 1HB GLU 32 4.602 -6.414 -2.926 270 1HG GLU 32 2HG GLU 32 5.312 -8.602 -2.574 271 2HG GLU 32 1HG GLU 32 5.651 -8.866 -4.283 272 H ILE 33 H ILE 33 2.162 -6.487 -2.576 273 HA ILE 33 HA ILE 33 1.685 -8.877 -1.152 274 HB ILE 33 HB ILE 33 0.237 -6.214 -1.112 275 1HG1 ILE 33 2HG1 ILE 33 2.179 -7.320 0.907 276 2HG1 ILE 33 1HG1 ILE 33 2.693 -6.347 -0.466 277 1HG2 ILE 33 1HG2 ILE 33 0.104 -8.269 1.075 278 2HG2 ILE 33 2HG2 ILE 33 -1.101 -8.185 -0.209 279 3HG2 ILE 33 3HG2 ILE 33 -0.869 -6.815 0.870 280 1HD1 ILE 33 1HD1 ILE 33 1.259 -4.517 0.330 281 2HD1 ILE 33 2HD1 ILE 33 2.497 -4.973 1.501 282 3HD1 ILE 33 3HD1 ILE 33 0.828 -5.493 1.733 283 H LYS 34 H LYS 34 0.024 -7.251 -3.777 284 HA LYS 34 HA LYS 34 -2.400 -8.742 -3.598 285 1HB LYS 34 2HB LYS 34 -1.172 -6.822 -5.492 286 2HB LYS 34 1HB LYS 34 -2.361 -7.923 -6.173 287 1HG LYS 34 2HG LYS 34 -3.115 -6.567 -3.662 288 2HG LYS 34 1HG LYS 34 -2.991 -5.559 -5.104 289 1HD LYS 34 2HD LYS 34 -4.568 -6.959 -6.274 290 2HD LYS 34 1HD LYS 34 -4.609 -8.098 -4.926 291 1HE LYS 34 2HE LYS 34 -5.504 -6.285 -3.490 292 2HE LYS 34 1HE LYS 34 -5.565 -5.238 -4.907 293 1HZ LYS 34 1HZ LYS 34 -6.908 -7.843 -5.022 294 2HZ LYS 34 2HZ LYS 34 -7.303 -6.394 -5.800 295 3HZ LYS 34 3HZ LYS 34 -7.649 -6.592 -4.157 296 H ARG 35 H ARG 35 0.468 -8.970 -5.691 297 HA ARG 35 HA ARG 35 -0.430 -11.314 -7.036 298 1HB ARG 35 2HB ARG 35 1.253 -9.735 -7.964 299 2HB ARG 35 1HB ARG 35 2.394 -10.273 -6.739 300 1HG ARG 35 2HG ARG 35 1.179 -12.382 -8.407 301 2HG ARG 35 1HG ARG 35 2.295 -11.281 -9.216 302 1HD ARG 35 2HD ARG 35 3.439 -12.041 -6.720 303 2HD ARG 35 1HD ARG 35 2.889 -13.499 -7.545 304 HE ARG 35 HE ARG 35 5.104 -11.855 -8.264 305 1HH1 ARG 35 1HH1 ARG 35 2.631 -13.947 -9.587 306 2HH1 ARG 35 2HH1 ARG 35 3.558 -14.351 -10.992 307 1HH2 ARG 35 1HH2 ARG 35 6.313 -12.394 -10.113 308 2HH2 ARG 35 2HH2 ARG 35 5.643 -13.471 -11.291 309 H ARG 36 H ARG 36 1.127 -10.729 -4.008 310 HA ARG 36 HA ARG 36 2.171 -13.400 -3.723 311 1HB ARG 36 2HB ARG 36 2.137 -10.915 -2.078 312 2HB ARG 36 1HB ARG 36 2.430 -12.443 -1.266 313 1HG ARG 36 2HG ARG 36 4.034 -12.134 -3.671 314 2HG ARG 36 1HG ARG 36 4.314 -10.851 -2.493 315 1HD ARG 36 2HD ARG 36 5.821 -12.403 -1.755 316 2HD ARG 36 1HD ARG 36 4.408 -12.878 -0.813 317 HE ARG 36 HE ARG 36 4.301 -14.325 -3.166 318 1HH1 ARG 36 1HH1 ARG 36 6.488 -14.035 -0.450 319 2HH1 ARG 36 2HH1 ARG 36 7.055 -15.666 -0.581 320 1HH2 ARG 36 1HH2 ARG 36 5.053 -16.465 -3.328 321 2HH2 ARG 36 2HH2 ARG 36 6.243 -17.042 -2.210 322 H SER 37 H SER 37 -0.929 -12.433 -3.738 323 HA SER 37 HA SER 37 -2.865 -13.265 -2.876 324 1HB SER 37 2HB SER 37 -1.799 -15.454 -3.402 325 2HB SER 37 1HB SER 37 -1.112 -15.480 -1.779 326 HG SER 37 HG SER 37 -2.931 -16.303 -1.162 327 H LEU 38 H LEU 38 -1.345 -11.364 -1.422 328 HA LEU 38 HA LEU 38 -2.141 -11.981 1.355 329 1HB LEU 38 2HB LEU 38 0.339 -11.847 0.840 330 2HB LEU 38 1HB LEU 38 0.091 -10.146 0.508 331 HG LEU 38 HG LEU 38 -0.901 -10.075 2.909 332 1HD1 LEU 38 1HD1 LEU 38 0.539 -11.797 4.276 333 2HD1 LEU 38 2HD1 LEU 38 0.402 -12.744 2.795 334 3HD1 LEU 38 3HD1 LEU 38 -1.051 -12.231 3.652 335 1HD2 LEU 38 1HD2 LEU 38 1.529 -9.450 1.829 336 2HD2 LEU 38 2HD2 LEU 38 1.982 -10.522 3.154 337 3HD2 LEU 38 3HD2 LEU 38 1.025 -9.079 3.476 338 H GLY 39 H GLY 39 -3.550 -10.594 -0.979 339 1HA GLY 39 2HA GLY 39 -3.676 -7.818 -0.246 340 2HA GLY 39 1HA GLY 39 -4.712 -8.643 -1.402 341 H HIS 40 H HIS 40 -4.891 -10.494 1.311 342 HA HIS 40 HA HIS 40 -7.415 -9.271 2.069 343 1HB HIS 40 2HB HIS 40 -7.652 -11.341 3.487 344 2HB HIS 40 1HB HIS 40 -7.495 -11.651 1.762 345 HD1 HIS 40 1HD HIS 40 -5.850 -13.398 1.171 346 HD2 HIS 40 2HD HIS 40 -5.008 -11.663 4.851 347 HE1 HIS 40 1HE HIS 40 -3.878 -14.668 2.077 348 HE2 HIS 40 2HE HIS 40 -3.344 -13.557 4.275 349 H ILE 41 H ILE 41 -4.185 -9.782 3.292 350 HA ILE 41 HA ILE 41 -4.643 -9.202 6.007 351 HB ILE 41 HB ILE 41 -2.520 -10.138 4.794 352 1HG1 ILE 41 2HG1 ILE 41 -1.114 -9.512 6.685 353 2HG1 ILE 41 1HG1 ILE 41 -2.237 -8.222 7.108 354 1HG2 ILE 41 1HG2 ILE 41 -2.209 -8.032 3.437 355 2HG2 ILE 41 2HG2 ILE 41 -0.777 -8.645 4.256 356 3HG2 ILE 41 3HG2 ILE 41 -1.649 -7.267 4.922 357 1HD1 ILE 41 1HD1 ILE 41 -3.464 -10.862 6.877 358 2HD1 ILE 41 2HD1 ILE 41 -3.633 -9.634 8.131 359 3HD1 ILE 41 3HD1 ILE 41 -2.250 -10.728 8.148 360 H ILE 42 H ILE 42 -4.012 -7.239 3.196 361 HA ILE 42 HA ILE 42 -3.762 -4.737 4.520 362 HB ILE 42 HB ILE 42 -4.225 -3.787 2.212 363 1HG1 ILE 42 2HG1 ILE 42 -4.118 -6.701 1.408 364 2HG1 ILE 42 1HG1 ILE 42 -5.550 -5.680 1.342 365 1HG2 ILE 42 1HG2 ILE 42 -1.969 -4.381 3.204 366 2HG2 ILE 42 2HG2 ILE 42 -2.060 -4.205 1.451 367 3HG2 ILE 42 3HG2 ILE 42 -2.023 -5.813 2.176 368 1HD1 ILE 42 1HD1 ILE 42 -3.161 -5.742 -0.405 369 2HD1 ILE 42 2HD1 ILE 42 -3.954 -4.188 -0.142 370 3HD1 ILE 42 3HD1 ILE 42 -4.865 -5.540 -0.814 371 H SER 43 H SER 43 -5.294 -2.905 4.115 372 HA SER 43 HA SER 43 -7.975 -3.751 4.818 373 1HB SER 43 2HB SER 43 -6.794 -1.840 5.968 374 2HB SER 43 1HB SER 43 -6.948 -0.924 4.469 375 HG SER 43 HG SER 43 -8.852 -0.412 5.171 376 H VAL 44 H VAL 44 -7.790 -4.724 2.464 377 HA VAL 44 HA VAL 44 -9.055 -2.804 0.621 378 HB VAL 44 HB VAL 44 -7.403 -5.197 -0.185 379 1HG1 VAL 44 1HG1 VAL 44 -7.342 -3.801 -2.351 380 2HG1 VAL 44 2HG1 VAL 44 -8.745 -2.977 -1.670 381 3HG1 VAL 44 3HG1 VAL 44 -8.801 -4.714 -1.968 382 1HG2 VAL 44 1HG2 VAL 44 -5.909 -3.692 0.892 383 2HG2 VAL 44 2HG2 VAL 44 -6.618 -2.305 0.066 384 3HG2 VAL 44 3HG2 VAL 44 -5.694 -3.498 -0.848 385 H SER 45 H SER 45 -10.556 -3.781 -0.938 386 HA SER 45 HA SER 45 -12.081 -5.929 0.335 387 1HB SER 45 2HB SER 45 -13.760 -5.207 -1.553 388 2HB SER 45 1HB SER 45 -13.563 -4.200 -0.119 389 HG SER 45 HG SER 45 -13.231 -2.727 -1.611 390 H SER 46 H SER 46 -10.841 -7.705 -0.283 391 HA SER 46 HA SER 46 -11.257 -8.538 -3.051 392 1HB SER 46 2HB SER 46 -8.917 -9.342 -3.235 393 2HB SER 46 1HB SER 46 -9.010 -7.589 -3.072 394 HG SER 46 HG SER 46 -7.599 -9.193 -1.606 Start of MODEL 10 1 1H MET 1 1HT MET 1 8.354 -6.532 -1.908 2 2H MET 1 2HT MET 1 8.822 -5.327 -0.777 3 3H MET 1 3HT MET 1 9.468 -6.913 -0.663 4 HA MET 1 HA MET 1 9.865 -5.111 -2.946 5 1HB MET 1 2HB MET 1 10.800 -4.637 -0.471 6 2HB MET 1 1HB MET 1 12.050 -5.735 -1.037 7 1HG MET 1 2HG MET 1 13.011 -3.890 -1.839 8 2HG MET 1 1HG MET 1 11.837 -4.041 -3.145 9 1HE MET 1 1HE MET 1 8.957 -1.724 -1.564 10 2HE MET 1 2HE MET 1 9.278 -3.292 -0.825 11 3HE MET 1 3HE MET 1 9.254 -3.133 -2.581 12 H ARG 2 H ARG 2 12.587 -6.030 -3.195 13 HA ARG 2 HA ARG 2 12.384 -8.083 -4.982 14 1HB ARG 2 2HB ARG 2 14.422 -6.568 -4.080 15 2HB ARG 2 1HB ARG 2 14.846 -8.104 -3.336 16 1HG ARG 2 2HG ARG 2 14.772 -9.175 -5.547 17 2HG ARG 2 1HG ARG 2 14.402 -7.610 -6.274 18 1HD ARG 2 2HD ARG 2 16.646 -7.099 -4.744 19 2HD ARG 2 1HD ARG 2 16.951 -8.709 -5.396 20 HE ARG 2 HE ARG 2 16.092 -7.205 -7.528 21 1HH1 ARG 2 1HH1 ARG 2 18.730 -7.020 -5.236 22 2HH1 ARG 2 2HH1 ARG 2 19.797 -6.230 -6.346 23 1HH2 ARG 2 1HH2 ARG 2 17.503 -6.165 -8.979 24 2HH2 ARG 2 2HH2 ARG 2 19.102 -5.744 -8.466 25 H LYS 3 H LYS 3 12.728 -8.347 -1.490 26 HA LYS 3 HA LYS 3 11.563 -10.891 -1.358 27 1HB LYS 3 2HB LYS 3 13.895 -11.372 -2.388 28 2HB LYS 3 1HB LYS 3 14.505 -11.063 -0.768 29 1HG LYS 3 2HG LYS 3 13.341 -12.900 0.133 30 2HG LYS 3 1HG LYS 3 12.344 -13.074 -1.312 31 1HD LYS 3 2HD LYS 3 14.312 -13.729 -2.600 32 2HD LYS 3 1HD LYS 3 15.324 -13.529 -1.169 33 1HE LYS 3 2HE LYS 3 14.580 -15.448 -0.204 34 2HE LYS 3 1HE LYS 3 12.975 -15.315 -0.921 35 1HZ LYS 3 1HZ LYS 3 15.361 -16.606 -1.947 36 2HZ LYS 3 2HZ LYS 3 14.465 -15.736 -3.089 37 3HZ LYS 3 3HZ LYS 3 13.730 -16.977 -2.206 38 H LEU 4 H LEU 4 10.537 -9.445 0.212 39 HA LEU 4 HA LEU 4 12.004 -9.425 2.769 40 1HB LEU 4 2HB LEU 4 9.831 -7.449 2.215 41 2HB LEU 4 1HB LEU 4 11.159 -7.345 3.352 42 HG LEU 4 HG LEU 4 11.215 -6.857 0.379 43 1HD1 LEU 4 1HD1 LEU 4 12.206 -4.712 1.135 44 2HD1 LEU 4 2HD1 LEU 4 11.921 -5.209 2.803 45 3HD1 LEU 4 3HD1 LEU 4 10.559 -4.970 1.709 46 1HD2 LEU 4 1HD2 LEU 4 13.342 -7.914 2.055 47 2HD2 LEU 4 2HD2 LEU 4 13.774 -6.360 1.345 48 3HD2 LEU 4 3HD2 LEU 4 13.284 -7.697 0.307 49 H SER 5 H SER 5 10.712 -9.673 4.680 50 HA SER 5 HA SER 5 8.803 -11.721 4.515 51 1HB SER 5 2HB SER 5 9.003 -9.824 6.845 52 2HB SER 5 1HB SER 5 8.596 -11.540 6.860 53 HG SER 5 HG SER 5 10.769 -11.953 6.205 54 H ASP 6 H ASP 6 6.551 -11.720 4.872 55 HA ASP 6 HA ASP 6 5.137 -9.658 3.581 56 1HB ASP 6 2HB ASP 6 3.674 -11.368 5.556 57 2HB ASP 6 1HB ASP 6 3.198 -10.850 3.948 58 H GLU 7 H GLU 7 5.989 -10.193 6.919 59 HA GLU 7 HA GLU 7 4.215 -8.335 8.073 60 1HB GLU 7 2HB GLU 7 6.407 -9.983 8.941 61 2HB GLU 7 1HB GLU 7 6.590 -8.370 9.617 62 1HG GLU 7 2HG GLU 7 5.369 -9.581 11.202 63 2HG GLU 7 1HG GLU 7 4.187 -8.564 10.380 64 H LEU 8 H LEU 8 7.448 -8.025 6.730 65 HA LEU 8 HA LEU 8 7.628 -5.223 7.394 66 1HB LEU 8 2HB LEU 8 9.351 -7.179 5.951 67 2HB LEU 8 1HB LEU 8 9.617 -5.466 5.679 68 HG LEU 8 HG LEU 8 9.671 -5.349 8.295 69 1HD1 LEU 8 1HD1 LEU 8 9.986 -8.251 7.701 70 2HD1 LEU 8 2HD1 LEU 8 9.127 -7.457 9.021 71 3HD1 LEU 8 3HD1 LEU 8 10.889 -7.530 9.032 72 1HD2 LEU 8 1HD2 LEU 8 11.625 -4.676 7.379 73 2HD2 LEU 8 2HD2 LEU 8 11.744 -6.081 6.321 74 3HD2 LEU 8 3HD2 LEU 8 12.175 -6.222 8.026 75 H LEU 9 H LEU 9 6.966 -7.167 4.523 76 HA LEU 9 HA LEU 9 6.843 -5.057 2.667 77 1HB LEU 9 2HB LEU 9 6.980 -7.344 1.913 78 2HB LEU 9 1HB LEU 9 5.480 -7.749 2.723 79 HG LEU 9 HG LEU 9 4.455 -5.955 1.104 80 1HD1 LEU 9 1HD1 LEU 9 5.563 -5.566 -0.898 81 2HD1 LEU 9 2HD1 LEU 9 6.694 -6.894 -0.644 82 3HD1 LEU 9 3HD1 LEU 9 6.845 -5.414 0.304 83 1HD2 LEU 9 1HD2 LEU 9 5.303 -8.715 0.236 84 2HD2 LEU 9 2HD2 LEU 9 4.067 -7.740 -0.558 85 3HD2 LEU 9 3HD2 LEU 9 3.827 -8.287 1.101 86 H ILE 10 H ILE 10 4.421 -6.535 4.751 87 HA ILE 10 HA ILE 10 2.298 -4.882 3.807 88 HB ILE 10 HB ILE 10 2.494 -6.574 6.296 89 1HG1 ILE 10 2HG1 ILE 10 0.834 -7.213 3.897 90 2HG1 ILE 10 1HG1 ILE 10 2.568 -7.505 3.828 91 1HG2 ILE 10 1HG2 ILE 10 0.807 -4.790 6.526 92 2HG2 ILE 10 2HG2 ILE 10 0.075 -6.392 6.445 93 3HG2 ILE 10 3HG2 ILE 10 0.047 -5.338 5.032 94 1HD1 ILE 10 1HD1 ILE 10 2.355 -9.366 4.980 95 2HD1 ILE 10 2HD1 ILE 10 0.611 -9.171 4.859 96 3HD1 ILE 10 3HD1 ILE 10 1.469 -8.541 6.260 97 H GLU 11 H GLU 11 4.636 -4.764 6.409 98 HA GLU 11 HA GLU 11 3.508 -2.646 7.883 99 1HB GLU 11 2HB GLU 11 6.067 -4.046 7.779 100 2HB GLU 11 1HB GLU 11 6.271 -2.346 8.143 101 1HG GLU 11 2HG GLU 11 6.074 -3.791 10.141 102 2HG GLU 11 1HG GLU 11 4.865 -2.510 10.062 103 H SER 12 H SER 12 5.309 -2.749 4.899 104 HA SER 12 HA SER 12 5.963 0.046 4.869 105 1HB SER 12 2HB SER 12 6.937 -2.041 3.484 106 2HB SER 12 1HB SER 12 5.747 -1.472 2.313 107 HG SER 12 HG SER 12 7.706 -0.428 1.958 108 H TYR 13 H TYR 13 3.499 -2.006 3.357 109 HA TYR 13 HA TYR 13 2.150 0.046 1.967 110 1HB TYR 13 2HB TYR 13 1.821 -2.375 1.532 111 2HB TYR 13 1HB TYR 13 1.014 -2.529 3.086 112 HD1 TYR 13 1HD TYR 13 -1.292 -2.343 3.179 113 HD2 TYR 13 2HD TYR 13 0.781 -0.605 -0.105 114 HE1 TYR 13 1HE TYR 13 -3.442 -1.778 2.129 115 HE2 TYR 13 2HE TYR 13 -1.364 -0.034 -1.164 116 HH TYR 13 HH TYR 13 -4.363 -1.265 -0.026 117 H PHE 14 H PHE 14 1.874 -1.253 5.214 118 HA PHE 14 HA PHE 14 -0.440 0.257 5.933 119 1HB PHE 14 2HB PHE 14 1.613 -1.267 7.514 120 2HB PHE 14 1HB PHE 14 0.300 -0.408 8.293 121 HD1 PHE 14 1HD PHE 14 -0.231 -2.643 9.289 122 HD2 PHE 14 2HD PHE 14 -0.541 -1.904 5.105 123 HE1 PHE 14 1HE PHE 14 -1.648 -4.638 9.040 124 HE2 PHE 14 2HE PHE 14 -1.958 -3.895 4.855 125 HZ PHE 14 HZ PHE 14 -2.510 -5.272 6.820 126 H LYS 15 H LYS 15 3.019 0.557 6.651 127 HA LYS 15 HA LYS 15 2.875 2.939 8.129 128 1HB LYS 15 2HB LYS 15 5.064 1.621 6.545 129 2HB LYS 15 1HB LYS 15 5.321 3.173 7.319 130 1HG LYS 15 2HG LYS 15 4.429 0.694 8.772 131 2HG LYS 15 1HG LYS 15 6.107 1.224 8.641 132 1HD LYS 15 2HD LYS 15 5.733 2.376 10.520 133 2HD LYS 15 1HD LYS 15 4.805 3.490 9.517 134 1HE LYS 15 2HE LYS 15 2.778 2.149 9.971 135 2HE LYS 15 1HE LYS 15 3.728 1.117 11.039 136 1HZ LYS 15 1HZ LYS 15 3.433 4.044 11.427 137 2HZ LYS 15 2HZ LYS 15 4.099 2.926 12.509 138 3HZ LYS 15 3HZ LYS 15 2.440 2.897 12.178 139 H ALA 16 H ALA 16 3.352 2.332 4.684 140 HA ALA 16 HA ALA 16 3.819 4.977 3.899 141 1HB ALA 16 1HB ALA 16 3.053 4.149 1.631 142 2HB ALA 16 2HB ALA 16 2.766 2.592 2.407 143 3HB ALA 16 3HB ALA 16 4.392 3.274 2.375 144 H THR 17 H THR 17 0.793 3.175 4.266 145 HA THR 17 HA THR 17 -0.857 5.155 3.098 146 HB THR 17 HB THR 17 -2.713 4.006 4.275 147 HG1 THR 17 1HG THR 17 -0.701 2.324 5.340 148 1HG2 THR 17 1HG2 THR 17 -1.754 1.559 3.483 149 2HG2 THR 17 2HG2 THR 17 -0.852 2.696 2.482 150 3HG2 THR 17 3HG2 THR 17 -2.616 2.720 2.473 151 H GLU 18 H GLU 18 0.453 4.699 6.305 152 HA GLU 18 HA GLU 18 -1.202 6.657 7.564 153 1HB GLU 18 2HB GLU 18 0.988 4.875 8.343 154 2HB GLU 18 1HB GLU 18 0.994 6.413 9.195 155 1HG GLU 18 2HG GLU 18 -0.555 5.639 10.562 156 2HG GLU 18 1HG GLU 18 -1.668 5.505 9.202 157 H MET 19 H MET 19 2.156 6.640 6.438 158 HA MET 19 HA MET 19 2.530 9.414 7.095 159 1HB MET 19 2HB MET 19 4.752 9.123 6.249 160 2HB MET 19 1HB MET 19 4.343 7.731 7.231 161 1HG MET 19 2HG MET 19 3.972 6.398 5.269 162 2HG MET 19 1HG MET 19 4.213 7.798 4.228 163 1HE MET 19 1HE MET 19 5.764 4.797 4.285 164 2HE MET 19 2HE MET 19 5.736 4.864 6.047 165 3HE MET 19 3HE MET 19 7.277 4.821 5.191 166 H ASN 20 H ASN 20 1.214 7.758 4.436 167 HA ASN 20 HA ASN 20 0.337 8.513 2.475 168 1HB ASN 20 2HB ASN 20 1.500 11.240 3.007 169 2HB ASN 20 1HB ASN 20 0.123 10.826 1.993 170 1HD2 ASN 20 1HD2 ASN 20 -1.629 9.593 3.290 171 2HD2 ASN 20 2HD2 ASN 20 -2.066 10.319 4.796 172 H LEU 21 H LEU 21 2.828 7.276 2.683 173 HA LEU 21 HA LEU 21 4.949 8.448 1.321 174 1HB LEU 21 2HB LEU 21 4.675 6.148 2.557 175 2HB LEU 21 1HB LEU 21 4.292 5.550 0.956 176 HG LEU 21 HG LEU 21 6.828 7.071 1.453 177 1HD1 LEU 21 1HD1 LEU 21 6.131 4.370 2.379 178 2HD1 LEU 21 2HD1 LEU 21 7.371 5.488 2.948 179 3HD1 LEU 21 3HD1 LEU 21 7.659 4.509 1.511 180 1HD2 LEU 21 1HD2 LEU 21 7.125 4.946 -0.380 181 2HD2 LEU 21 2HD2 LEU 21 7.096 6.675 -0.720 182 3HD2 LEU 21 3HD2 LEU 21 5.602 5.742 -0.775 183 H ASN 22 H ASN 22 5.701 8.097 -0.885 184 HA ASN 22 HA ASN 22 4.065 8.948 -2.872 185 1HB ASN 22 2HB ASN 22 6.626 8.470 -2.862 186 2HB ASN 22 1HB ASN 22 6.163 6.913 -3.543 187 1HD2 ASN 22 1HD2 ASN 22 5.284 10.326 -3.989 188 2HD2 ASN 22 2HD2 ASN 22 5.373 10.297 -5.714 189 H ARG 23 H ARG 23 2.501 8.186 -4.143 190 HA ARG 23 HA ARG 23 1.110 5.859 -3.590 191 1HB ARG 23 2HB ARG 23 0.456 7.964 -4.980 192 2HB ARG 23 1HB ARG 23 1.069 7.038 -6.344 193 1HG ARG 23 2HG ARG 23 -0.696 5.413 -4.766 194 2HG ARG 23 1HG ARG 23 -1.486 6.931 -5.194 195 1HD ARG 23 2HD ARG 23 -0.016 5.348 -7.266 196 2HD ARG 23 1HD ARG 23 -1.657 4.901 -6.803 197 HE ARG 23 HE ARG 23 -0.910 7.038 -8.490 198 1HH1 ARG 23 1HH1 ARG 23 -3.196 6.238 -5.965 199 2HH1 ARG 23 2HH1 ARG 23 -4.383 7.371 -6.516 200 1HH2 ARG 23 1HH2 ARG 23 -2.476 8.524 -9.206 201 2HH2 ARG 23 2HH2 ARG 23 -3.976 8.666 -8.353 202 H ASP 24 H ASP 24 3.879 6.301 -5.645 203 HA ASP 24 HA ASP 24 3.557 3.951 -7.183 204 1HB ASP 24 2HB ASP 24 5.920 5.701 -6.548 205 2HB ASP 24 1HB ASP 24 6.113 4.219 -7.481 206 H PHE 25 H PHE 25 5.072 4.608 -4.082 207 HA PHE 25 HA PHE 25 6.206 1.987 -3.831 208 1HB PHE 25 2HB PHE 25 6.890 4.227 -2.637 209 2HB PHE 25 1HB PHE 25 5.650 3.761 -1.477 210 HD1 PHE 25 1HD PHE 25 8.126 1.701 -3.341 211 HD2 PHE 25 2HD PHE 25 6.755 3.096 0.438 212 HE1 PHE 25 1HE PHE 25 9.745 0.229 -2.216 213 HE2 PHE 25 2HE PHE 25 8.374 1.627 1.572 214 HZ PHE 25 HZ PHE 25 9.871 0.192 0.243 215 H ILE 26 H ILE 26 3.321 3.670 -2.742 216 HA ILE 26 HA ILE 26 2.279 1.640 -1.089 217 HB ILE 26 HB ILE 26 0.862 3.808 -2.650 218 1HG1 ILE 26 2HG1 ILE 26 1.718 3.644 0.246 219 2HG1 ILE 26 1HG1 ILE 26 2.462 4.644 -0.997 220 1HG2 ILE 26 1HG2 ILE 26 -0.181 1.646 -0.963 221 2HG2 ILE 26 2HG2 ILE 26 -1.000 2.642 -2.164 222 3HG2 ILE 26 3HG2 ILE 26 -0.765 3.251 -0.527 223 1HD1 ILE 26 1HD1 ILE 26 0.404 5.928 -1.200 224 2HD1 ILE 26 2HD1 ILE 26 1.013 5.947 0.454 225 3HD1 ILE 26 3HD1 ILE 26 -0.353 4.916 0.029 226 H GLU 27 H GLU 27 1.753 2.425 -4.516 227 HA GLU 27 HA GLU 27 -0.009 0.248 -4.985 228 1HB GLU 27 2HB GLU 27 0.640 2.478 -6.386 229 2HB GLU 27 1HB GLU 27 1.583 1.279 -7.257 230 1HG GLU 27 2HG GLU 27 -0.415 1.330 -8.415 231 2HG GLU 27 1HG GLU 27 -0.598 -0.069 -7.358 232 H LEU 28 H LEU 28 3.445 0.696 -5.140 233 HA LEU 28 HA LEU 28 4.069 -1.697 -6.517 234 1HB LEU 28 2HB LEU 28 5.746 -0.065 -6.528 235 2HB LEU 28 1HB LEU 28 5.587 0.250 -4.814 236 HG LEU 28 HG LEU 28 6.636 -2.406 -5.698 237 1HD1 LEU 28 1HD1 LEU 28 8.034 -1.061 -7.006 238 2HD1 LEU 28 2HD1 LEU 28 8.940 -1.308 -5.514 239 3HD1 LEU 28 3HD1 LEU 28 8.094 0.214 -5.789 240 1HD2 LEU 28 1HD2 LEU 28 8.062 -1.828 -3.595 241 2HD2 LEU 28 2HD2 LEU 28 6.388 -2.348 -3.405 242 3HD2 LEU 28 3HD2 LEU 28 6.797 -0.636 -3.298 243 H ILE 29 H ILE 29 3.950 -0.853 -3.071 244 HA ILE 29 HA ILE 29 4.670 -3.451 -2.168 245 HB ILE 29 HB ILE 29 3.153 -1.317 -0.656 246 1HG1 ILE 29 2HG1 ILE 29 6.060 -1.740 -0.236 247 2HG1 ILE 29 1HG1 ILE 29 5.593 -0.940 -1.732 248 1HG2 ILE 29 1HG2 ILE 29 4.786 -3.660 0.311 249 2HG2 ILE 29 2HG2 ILE 29 3.031 -3.506 0.389 250 3HG2 ILE 29 3HG2 ILE 29 4.054 -2.426 1.336 251 1HD1 ILE 29 1HD1 ILE 29 5.480 0.959 -0.608 252 2HD1 ILE 29 2HD1 ILE 29 5.761 0.119 0.917 253 3HD1 ILE 29 3HD1 ILE 29 4.119 0.300 0.300 254 H GLU 30 H GLU 30 1.669 -1.861 -2.998 255 HA GLU 30 HA GLU 30 -0.017 -3.915 -1.902 256 1HB GLU 30 2HB GLU 30 -0.571 -1.408 -2.416 257 2HB GLU 30 1HB GLU 30 -0.916 -2.007 -4.031 258 1HG GLU 30 2HG GLU 30 -2.397 -3.737 -2.776 259 2HG GLU 30 1HG GLU 30 -2.322 -2.564 -1.462 260 H ASN 31 H ASN 31 1.504 -3.217 -4.967 261 HA ASN 31 HA ASN 31 0.004 -5.067 -6.519 262 1HB ASN 31 2HB ASN 31 2.524 -3.505 -6.898 263 2HB ASN 31 1HB ASN 31 2.190 -4.838 -7.998 264 1HD2 ASN 31 1HD2 ASN 31 -0.391 -4.755 -8.491 265 2HD2 ASN 31 2HD2 ASN 31 -0.871 -3.242 -9.172 266 H GLU 32 H GLU 32 2.796 -5.328 -4.450 267 HA GLU 32 HA GLU 32 3.557 -7.929 -5.443 268 1HB GLU 32 2HB GLU 32 5.099 -6.173 -4.338 269 2HB GLU 32 1HB GLU 32 4.428 -6.739 -2.815 270 1HG GLU 32 2HG GLU 32 6.227 -8.095 -2.899 271 2HG GLU 32 1HG GLU 32 5.119 -9.092 -3.842 272 H ILE 33 H ILE 33 1.984 -6.589 -2.589 273 HA ILE 33 HA ILE 33 1.492 -9.031 -1.268 274 HB ILE 33 HB ILE 33 -0.039 -6.422 -1.129 275 1HG1 ILE 33 2HG1 ILE 33 1.991 -7.393 0.860 276 2HG1 ILE 33 1HG1 ILE 33 2.491 -6.514 -0.580 277 1HG2 ILE 33 1HG2 ILE 33 -1.222 -7.180 0.662 278 2HG2 ILE 33 2HG2 ILE 33 0.057 -8.275 1.184 279 3HG2 ILE 33 3HG2 ILE 33 -0.994 -8.725 -0.157 280 1HD1 ILE 33 1HD1 ILE 33 0.571 -5.501 1.503 281 2HD1 ILE 33 2HD1 ILE 33 1.140 -4.616 0.088 282 3HD1 ILE 33 3HD1 ILE 33 2.272 -5.058 1.366 283 H LYS 34 H LYS 34 -0.163 -7.290 -3.823 284 HA LYS 34 HA LYS 34 -2.593 -8.765 -3.718 285 1HB LYS 34 2HB LYS 34 -1.332 -6.799 -5.531 286 2HB LYS 34 1HB LYS 34 -2.476 -7.895 -6.292 287 1HG LYS 34 2HG LYS 34 -4.169 -7.230 -4.621 288 2HG LYS 34 1HG LYS 34 -3.018 -6.062 -3.967 289 1HD LYS 34 2HD LYS 34 -2.903 -5.246 -6.455 290 2HD LYS 34 1HD LYS 34 -4.471 -6.049 -6.576 291 1HE LYS 34 2HE LYS 34 -5.094 -4.708 -4.479 292 2HE LYS 34 1HE LYS 34 -3.672 -3.733 -4.842 293 1HZ LYS 34 1HZ LYS 34 -6.196 -3.958 -6.314 294 2HZ LYS 34 2HZ LYS 34 -4.785 -3.640 -7.190 295 3HZ LYS 34 3HZ LYS 34 -5.272 -2.584 -5.962 296 H ARG 35 H ARG 35 0.314 -8.986 -5.755 297 HA ARG 35 HA ARG 35 -0.580 -11.295 -7.167 298 1HB ARG 35 2HB ARG 35 1.267 -9.533 -7.770 299 2HB ARG 35 1HB ARG 35 2.319 -10.608 -6.861 300 1HG ARG 35 2HG ARG 35 2.620 -11.615 -8.835 301 2HG ARG 35 1HG ARG 35 1.065 -12.377 -8.486 302 1HD ARG 35 2HD ARG 35 0.180 -10.121 -9.601 303 2HD ARG 35 1HD ARG 35 1.745 -10.222 -10.405 304 HE ARG 35 HE ARG 35 0.715 -12.708 -10.718 305 1HH1 ARG 35 1HH1 ARG 35 -0.504 -9.504 -11.424 306 2HH1 ARG 35 2HH1 ARG 35 -1.467 -10.037 -12.762 307 1HH2 ARG 35 1HH2 ARG 35 -0.552 -13.396 -12.477 308 2HH2 ARG 35 2HH2 ARG 35 -1.494 -12.241 -13.358 309 H ARG 36 H ARG 36 0.971 -10.771 -4.117 310 HA ARG 36 HA ARG 36 2.013 -13.441 -3.868 311 1HB ARG 36 2HB ARG 36 1.887 -11.014 -2.135 312 2HB ARG 36 1HB ARG 36 2.191 -12.569 -1.379 313 1HG ARG 36 2HG ARG 36 4.082 -12.868 -3.017 314 2HG ARG 36 1HG ARG 36 3.845 -11.177 -3.464 315 1HD ARG 36 2HD ARG 36 4.543 -10.398 -1.403 316 2HD ARG 36 1HD ARG 36 4.178 -11.919 -0.590 317 HE ARG 36 HE ARG 36 6.627 -11.199 -1.898 318 1HH1 ARG 36 1HH1 ARG 36 4.605 -13.890 -0.942 319 2HH1 ARG 36 2HH1 ARG 36 5.918 -15.018 -0.910 320 1HH2 ARG 36 1HH2 ARG 36 8.343 -12.688 -1.852 321 2HH2 ARG 36 2HH2 ARG 36 8.036 -14.338 -1.424 322 H SER 37 H SER 37 -1.105 -12.427 -3.880 323 HA SER 37 HA SER 37 -3.057 -13.310 -3.125 324 1HB SER 37 2HB SER 37 -1.946 -15.470 -3.748 325 2HB SER 37 1HB SER 37 -1.370 -15.601 -2.086 326 HG SER 37 HG SER 37 -3.413 -15.894 -1.386 327 H LEU 38 H LEU 38 -1.544 -11.511 -1.503 328 HA LEU 38 HA LEU 38 -2.461 -12.308 1.191 329 1HB LEU 38 2HB LEU 38 0.090 -12.056 0.625 330 2HB LEU 38 1HB LEU 38 -0.254 -10.343 0.768 331 HG LEU 38 HG LEU 38 -1.209 -10.879 3.069 332 1HD1 LEU 38 1HD1 LEU 38 0.045 -13.496 2.343 333 2HD1 LEU 38 2HD1 LEU 38 -1.519 -13.178 3.091 334 3HD1 LEU 38 3HD1 LEU 38 -0.037 -12.967 4.024 335 1HD2 LEU 38 1HD2 LEU 38 0.896 -9.741 2.806 336 2HD2 LEU 38 2HD2 LEU 38 1.720 -11.265 2.480 337 3HD2 LEU 38 3HD2 LEU 38 1.051 -10.950 4.080 338 H GLY 39 H GLY 39 -3.868 -10.854 -0.983 339 1HA GLY 39 2HA GLY 39 -3.948 -8.077 -0.323 340 2HA GLY 39 1HA GLY 39 -5.111 -8.948 -1.314 341 H HIS 40 H HIS 40 -5.120 -10.744 1.380 342 HA HIS 40 HA HIS 40 -7.478 -9.418 2.395 343 1HB HIS 40 2HB HIS 40 -7.198 -11.955 2.087 344 2HB HIS 40 1HB HIS 40 -6.220 -11.887 3.544 345 HD1 HIS 40 1HD HIS 40 -9.730 -11.743 2.351 346 HD2 HIS 40 2HD HIS 40 -7.648 -11.321 5.922 347 HE1 HIS 40 1HE HIS 40 -11.474 -11.833 4.162 348 HE2 HIS 40 2HE HIS 40 -10.187 -11.618 6.316 349 H ILE 41 H ILE 41 -4.157 -9.973 3.286 350 HA ILE 41 HA ILE 41 -4.274 -9.262 5.997 351 HB ILE 41 HB ILE 41 -2.341 -10.301 4.601 352 1HG1 ILE 41 2HG1 ILE 41 -0.680 -9.548 6.259 353 2HG1 ILE 41 1HG1 ILE 41 -1.785 -8.272 6.763 354 1HG2 ILE 41 1HG2 ILE 41 -1.153 -7.586 4.507 355 2HG2 ILE 41 2HG2 ILE 41 -2.257 -8.057 3.217 356 3HG2 ILE 41 3HG2 ILE 41 -0.810 -9.008 3.524 357 1HD1 ILE 41 1HD1 ILE 41 -1.618 -10.887 7.730 358 2HD1 ILE 41 2HD1 ILE 41 -3.122 -10.803 6.811 359 3HD1 ILE 41 3HD1 ILE 41 -2.827 -9.666 8.127 360 H ILE 42 H ILE 42 -4.108 -7.399 3.060 361 HA ILE 42 HA ILE 42 -3.667 -4.870 4.356 362 HB ILE 42 HB ILE 42 -4.192 -3.936 2.057 363 1HG1 ILE 42 2HG1 ILE 42 -4.103 -6.852 1.267 364 2HG1 ILE 42 1HG1 ILE 42 -5.534 -5.828 1.235 365 1HG2 ILE 42 1HG2 ILE 42 -2.056 -4.533 1.145 366 2HG2 ILE 42 2HG2 ILE 42 -1.975 -5.953 2.189 367 3HG2 ILE 42 3HG2 ILE 42 -1.924 -4.336 2.893 368 1HD1 ILE 42 1HD1 ILE 42 -3.913 -4.354 -0.283 369 2HD1 ILE 42 2HD1 ILE 42 -4.941 -5.635 -0.927 370 3HD1 ILE 42 3HD1 ILE 42 -3.236 -5.952 -0.603 371 H SER 43 H SER 43 -5.172 -3.070 4.204 372 HA SER 43 HA SER 43 -7.840 -3.893 4.901 373 1HB SER 43 2HB SER 43 -6.677 -2.026 6.073 374 2HB SER 43 1HB SER 43 -6.738 -1.089 4.580 375 HG SER 43 HG SER 43 -9.090 -1.435 4.715 376 H VAL 44 H VAL 44 -7.858 -4.864 2.589 377 HA VAL 44 HA VAL 44 -9.079 -2.895 0.769 378 HB VAL 44 HB VAL 44 -7.584 -5.393 -0.043 379 1HG1 VAL 44 1HG1 VAL 44 -9.245 -4.746 -1.665 380 2HG1 VAL 44 2HG1 VAL 44 -7.638 -4.364 -2.282 381 3HG1 VAL 44 3HG1 VAL 44 -8.665 -3.081 -1.641 382 1HG2 VAL 44 1HG2 VAL 44 -5.983 -3.912 0.889 383 2HG2 VAL 44 2HG2 VAL 44 -6.696 -2.525 0.072 384 3HG2 VAL 44 3HG2 VAL 44 -5.865 -3.766 -0.864 385 H SER 45 H SER 45 -10.855 -3.610 -0.487 386 HA SER 45 HA SER 45 -12.263 -5.892 0.710 387 1HB SER 45 2HB SER 45 -13.148 -3.334 -0.543 388 2HB SER 45 1HB SER 45 -14.204 -4.738 -0.702 389 HG SER 45 HG SER 45 -13.961 -4.924 1.655 390 H SER 46 H SER 46 -11.286 -7.540 -0.467 391 HA SER 46 HA SER 46 -11.814 -7.532 -3.365 392 1HB SER 46 2HB SER 46 -10.074 -9.556 -3.126 393 2HB SER 46 1HB SER 46 -9.551 -7.883 -3.325 394 HG SER 46 HG SER 46 -9.129 -9.545 -1.263 Start of MODEL 11 1 1H MET 1 1HT MET 1 11.519 -4.043 -0.794 2 2H MET 1 2HT MET 1 13.136 -4.423 -1.224 3 3H MET 1 3HT MET 1 12.022 -5.679 -0.871 4 HA MET 1 HA MET 1 10.670 -4.752 -2.763 5 1HB MET 1 2HB MET 1 13.265 -3.293 -2.952 6 2HB MET 1 1HB MET 1 12.505 -3.809 -4.451 7 1HG MET 1 2HG MET 1 11.759 -1.624 -4.104 8 2HG MET 1 1HG MET 1 10.411 -2.651 -3.619 9 1HE MET 1 1HE MET 1 10.065 -2.658 -0.125 10 2HE MET 1 2HE MET 1 9.455 -2.923 -1.757 11 3HE MET 1 3HE MET 1 9.162 -1.385 -0.945 12 H ARG 2 H ARG 2 13.825 -6.115 -2.128 13 HA ARG 2 HA ARG 2 13.799 -7.790 -4.483 14 1HB ARG 2 2HB ARG 2 15.852 -6.807 -3.185 15 2HB ARG 2 1HB ARG 2 15.643 -8.221 -2.161 16 1HG ARG 2 2HG ARG 2 17.237 -8.849 -3.750 17 2HG ARG 2 1HG ARG 2 15.732 -9.592 -4.299 18 1HD ARG 2 2HD ARG 2 15.471 -7.417 -5.693 19 2HD ARG 2 1HD ARG 2 17.203 -7.239 -5.420 20 HE ARG 2 HE ARG 2 16.699 -9.833 -6.352 21 1HH1 ARG 2 1HH1 ARG 2 16.619 -6.532 -7.506 22 2HH1 ARG 2 2HH1 ARG 2 16.939 -6.974 -9.149 23 1HH2 ARG 2 1HH2 ARG 2 17.119 -10.402 -8.512 24 2HH2 ARG 2 2HH2 ARG 2 17.222 -9.165 -9.720 25 H LYS 3 H LYS 3 13.598 -8.325 -0.965 26 HA LYS 3 HA LYS 3 11.664 -10.381 -1.237 27 1HB LYS 3 2HB LYS 3 14.483 -11.154 -1.287 28 2HB LYS 3 1HB LYS 3 13.581 -11.959 -0.012 29 1HG LYS 3 2HG LYS 3 12.380 -13.202 -1.455 30 2HG LYS 3 1HG LYS 3 12.290 -11.915 -2.659 31 1HD LYS 3 2HD LYS 3 13.734 -13.214 -3.799 32 2HD LYS 3 1HD LYS 3 14.935 -12.493 -2.728 33 1HE LYS 3 2HE LYS 3 13.482 -14.926 -1.815 34 2HE LYS 3 1HE LYS 3 14.751 -15.106 -3.025 35 1HZ LYS 3 1HZ LYS 3 16.006 -15.278 -1.169 36 2HZ LYS 3 2HZ LYS 3 14.957 -14.356 -0.215 37 3HZ LYS 3 3HZ LYS 3 16.020 -13.590 -1.284 38 H LEU 4 H LEU 4 10.609 -9.167 0.326 39 HA LEU 4 HA LEU 4 11.813 -9.240 3.019 40 1HB LEU 4 2HB LEU 4 9.621 -7.335 2.326 41 2HB LEU 4 1HB LEU 4 10.862 -7.199 3.556 42 HG LEU 4 HG LEU 4 11.197 -6.766 0.587 43 1HD1 LEU 4 1HD1 LEU 4 12.078 -4.528 1.685 44 2HD1 LEU 4 2HD1 LEU 4 10.977 -5.015 2.974 45 3HD1 LEU 4 3HD1 LEU 4 10.367 -4.782 1.336 46 1HD2 LEU 4 1HD2 LEU 4 13.277 -7.552 0.953 47 2HD2 LEU 4 2HD2 LEU 4 13.163 -7.351 2.701 48 3HD2 LEU 4 3HD2 LEU 4 13.537 -5.965 1.676 49 H SER 5 H SER 5 10.531 -9.884 4.741 50 HA SER 5 HA SER 5 8.583 -11.837 4.246 51 1HB SER 5 2HB SER 5 9.147 -10.273 6.774 52 2HB SER 5 1HB SER 5 8.139 -11.718 6.692 53 HG SER 5 HG SER 5 10.129 -12.440 7.241 54 H ASP 6 H ASP 6 6.311 -11.822 4.915 55 HA ASP 6 HA ASP 6 4.861 -9.752 3.707 56 1HB ASP 6 2HB ASP 6 3.521 -11.307 5.885 57 2HB ASP 6 1HB ASP 6 2.922 -10.841 4.303 58 H GLU 7 H GLU 7 6.110 -10.088 6.924 59 HA GLU 7 HA GLU 7 4.482 -8.055 8.098 60 1HB GLU 7 2HB GLU 7 6.541 -9.883 8.960 61 2HB GLU 7 1HB GLU 7 6.879 -8.271 9.573 62 1HG GLU 7 2HG GLU 7 4.279 -8.421 10.171 63 2HG GLU 7 1HG GLU 7 4.690 -10.134 10.231 64 H LEU 8 H LEU 8 7.570 -8.183 6.479 65 HA LEU 8 HA LEU 8 8.254 -5.447 7.059 66 1HB LEU 8 2HB LEU 8 9.450 -7.653 5.458 67 2HB LEU 8 1HB LEU 8 9.950 -6.005 5.124 68 HG LEU 8 HG LEU 8 11.423 -7.248 6.707 69 1HD1 LEU 8 1HD1 LEU 8 10.134 -4.649 7.328 70 2HD1 LEU 8 2HD1 LEU 8 11.794 -5.003 6.847 71 3HD1 LEU 8 3HD1 LEU 8 11.261 -5.339 8.496 72 1HD2 LEU 8 1HD2 LEU 8 10.676 -7.518 9.020 73 2HD2 LEU 8 2HD2 LEU 8 9.714 -8.496 7.910 74 3HD2 LEU 8 3HD2 LEU 8 9.058 -6.991 8.554 75 H LEU 9 H LEU 9 6.860 -7.264 4.401 76 HA LEU 9 HA LEU 9 6.838 -5.072 2.565 77 1HB LEU 9 2HB LEU 9 6.903 -7.331 1.724 78 2HB LEU 9 1HB LEU 9 5.418 -7.730 2.565 79 HG LEU 9 HG LEU 9 4.339 -5.907 1.079 80 1HD1 LEU 9 1HD1 LEU 9 5.485 -5.767 -1.152 81 2HD1 LEU 9 2HD1 LEU 9 6.922 -6.429 -0.373 82 3HD1 LEU 9 3HD1 LEU 9 6.268 -4.878 0.156 83 1HD2 LEU 9 1HD2 LEU 9 3.740 -8.197 0.832 84 2HD2 LEU 9 2HD2 LEU 9 5.276 -8.579 0.055 85 3HD2 LEU 9 3HD2 LEU 9 4.090 -7.575 -0.780 86 H ILE 10 H ILE 10 4.395 -6.652 4.587 87 HA ILE 10 HA ILE 10 2.296 -4.948 3.769 88 HB ILE 10 HB ILE 10 2.544 -6.648 6.246 89 1HG1 ILE 10 2HG1 ILE 10 0.872 -7.179 3.804 90 2HG1 ILE 10 1HG1 ILE 10 2.566 -7.655 3.867 91 1HG2 ILE 10 1HG2 ILE 10 0.891 -4.807 6.507 92 2HG2 ILE 10 2HG2 ILE 10 0.161 -6.413 6.529 93 3HG2 ILE 10 3HG2 ILE 10 0.049 -5.413 5.081 94 1HD1 ILE 10 1HD1 ILE 10 0.586 -9.259 4.583 95 2HD1 ILE 10 2HD1 ILE 10 0.867 -8.464 6.130 96 3HD1 ILE 10 3HD1 ILE 10 2.180 -9.321 5.327 97 H GLU 11 H GLU 11 4.694 -4.773 6.317 98 HA GLU 11 HA GLU 11 3.558 -2.660 7.792 99 1HB GLU 11 2HB GLU 11 6.274 -3.823 7.503 100 2HB GLU 11 1HB GLU 11 6.164 -2.221 8.203 101 1HG GLU 11 2HG GLU 11 4.313 -4.219 9.310 102 2HG GLU 11 1HG GLU 11 6.025 -4.504 9.619 103 H SER 12 H SER 12 5.315 -2.767 4.787 104 HA SER 12 HA SER 12 5.949 0.023 4.705 105 1HB SER 12 2HB SER 12 5.660 -1.533 2.177 106 2HB SER 12 1HB SER 12 6.934 -0.419 2.672 107 HG SER 12 HG SER 12 7.558 -2.674 2.609 108 H TYR 13 H TYR 13 3.416 -2.031 3.326 109 HA TYR 13 HA TYR 13 2.046 0.022 1.942 110 1HB TYR 13 2HB TYR 13 1.707 -2.418 1.551 111 2HB TYR 13 1HB TYR 13 0.897 -2.525 3.108 112 HD1 TYR 13 1HD TYR 13 -1.407 -2.420 3.124 113 HD2 TYR 13 2HD TYR 13 0.703 -0.545 -0.058 114 HE1 TYR 13 1HE TYR 13 -3.545 -1.842 2.055 115 HE2 TYR 13 2HE TYR 13 -1.429 0.040 -1.135 116 HH TYR 13 HH TYR 13 -3.736 -0.668 -1.156 117 H PHE 14 H PHE 14 1.856 -1.260 5.201 118 HA PHE 14 HA PHE 14 -0.426 0.261 5.981 119 1HB PHE 14 2HB PHE 14 1.669 -1.249 7.520 120 2HB PHE 14 1HB PHE 14 0.358 -0.404 8.317 121 HD1 PHE 14 1HD PHE 14 0.474 -3.039 9.059 122 HD2 PHE 14 2HD PHE 14 -1.120 -1.522 5.411 123 HE1 PHE 14 1HE PHE 14 -0.925 -5.050 8.833 124 HE2 PHE 14 2HE PHE 14 -2.519 -3.530 5.185 125 HZ PHE 14 HZ PHE 14 -2.422 -5.301 6.894 126 H LYS 15 H LYS 15 3.064 0.604 6.482 127 HA LYS 15 HA LYS 15 2.935 2.976 8.000 128 1HB LYS 15 2HB LYS 15 5.079 1.608 6.418 129 2HB LYS 15 1HB LYS 15 5.359 3.229 7.033 130 1HG LYS 15 2HG LYS 15 4.672 2.286 9.310 131 2HG LYS 15 1HG LYS 15 4.890 0.699 8.569 132 1HD LYS 15 2HD LYS 15 7.045 2.767 8.372 133 2HD LYS 15 1HD LYS 15 6.870 1.802 9.839 134 1HE LYS 15 2HE LYS 15 7.039 -0.247 8.487 135 2HE LYS 15 1HE LYS 15 7.265 0.740 7.043 136 1HZ LYS 15 1HZ LYS 15 9.176 1.719 8.611 137 2HZ LYS 15 2HZ LYS 15 9.423 0.432 7.542 138 3HZ LYS 15 3HZ LYS 15 9.133 0.126 9.180 139 H ALA 16 H ALA 16 3.393 2.383 4.539 140 HA ALA 16 HA ALA 16 3.749 5.035 3.739 141 1HB ALA 16 1HB ALA 16 4.282 3.237 2.244 142 2HB ALA 16 2HB ALA 16 3.041 4.241 1.493 143 3HB ALA 16 3HB ALA 16 2.604 2.697 2.226 144 H THR 17 H THR 17 0.792 3.176 4.263 145 HA THR 17 HA THR 17 -0.946 5.122 3.141 146 HB THR 17 HB THR 17 -2.727 3.906 4.402 147 HG1 THR 17 1HG THR 17 -1.771 3.155 6.196 148 1HG2 THR 17 1HG2 THR 17 -1.867 1.525 3.439 149 2HG2 THR 17 2HG2 THR 17 -0.904 2.658 2.490 150 3HG2 THR 17 3HG2 THR 17 -2.663 2.775 2.482 151 H GLU 18 H GLU 18 0.477 4.655 6.296 152 HA GLU 18 HA GLU 18 -1.188 6.581 7.610 153 1HB GLU 18 2HB GLU 18 0.897 4.705 8.352 154 2HB GLU 18 1HB GLU 18 1.095 6.248 9.172 155 1HG GLU 18 2HG GLU 18 -0.844 6.033 10.352 156 2HG GLU 18 1HG GLU 18 -1.603 5.007 9.134 157 H MET 19 H MET 19 2.127 6.577 6.373 158 HA MET 19 HA MET 19 2.529 9.332 7.118 159 1HB MET 19 2HB MET 19 4.743 9.057 6.277 160 2HB MET 19 1HB MET 19 4.334 7.616 7.186 161 1HG MET 19 2HG MET 19 3.987 6.376 5.172 162 2HG MET 19 1HG MET 19 4.178 7.825 4.190 163 1HE MET 19 1HE MET 19 5.942 4.874 5.977 164 2HE MET 19 2HE MET 19 7.311 4.876 4.866 165 3HE MET 19 3HE MET 19 5.665 4.836 4.236 166 H ASN 20 H ASN 20 1.221 7.709 4.421 167 HA ASN 20 HA ASN 20 0.306 8.506 2.493 168 1HB ASN 20 2HB ASN 20 1.447 11.236 3.048 169 2HB ASN 20 1HB ASN 20 0.039 10.818 2.079 170 1HD2 ASN 20 1HD2 ASN 20 1.153 11.803 5.093 171 2HD2 ASN 20 2HD2 ASN 20 -0.323 11.632 5.976 172 H LEU 21 H LEU 21 2.853 7.327 2.687 173 HA LEU 21 HA LEU 21 4.915 8.570 1.296 174 1HB LEU 21 2HB LEU 21 4.739 6.267 2.542 175 2HB LEU 21 1HB LEU 21 4.351 5.649 0.950 176 HG LEU 21 HG LEU 21 6.843 7.255 1.398 177 1HD1 LEU 21 1HD1 LEU 21 6.251 4.547 2.361 178 2HD1 LEU 21 2HD1 LEU 21 7.481 5.699 2.879 179 3HD1 LEU 21 3HD1 LEU 21 7.749 4.710 1.444 180 1HD2 LEU 21 1HD2 LEU 21 7.084 6.864 -0.779 181 2HD2 LEU 21 2HD2 LEU 21 5.630 5.868 -0.805 182 3HD2 LEU 21 3HD2 LEU 21 7.192 5.141 -0.431 183 H ASN 22 H ASN 22 5.651 8.235 -0.919 184 HA ASN 22 HA ASN 22 3.984 9.034 -2.896 185 1HB ASN 22 2HB ASN 22 6.499 8.739 -3.006 186 2HB ASN 22 1HB ASN 22 6.199 7.054 -3.421 187 1HD2 ASN 22 1HD2 ASN 22 7.310 7.506 -5.396 188 2HD2 ASN 22 2HD2 ASN 22 6.480 8.272 -6.702 189 H ARG 23 H ARG 23 2.502 8.217 -4.260 190 HA ARG 23 HA ARG 23 1.092 5.910 -3.650 191 1HB ARG 23 2HB ARG 23 0.474 7.965 -5.131 192 2HB ARG 23 1HB ARG 23 1.118 6.989 -6.443 193 1HG ARG 23 2HG ARG 23 -0.523 5.197 -5.291 194 2HG ARG 23 1HG ARG 23 -1.374 6.693 -4.905 195 1HD ARG 23 2HD ARG 23 -0.685 7.039 -7.545 196 2HD ARG 23 1HD ARG 23 -1.058 5.318 -7.459 197 HE ARG 23 HE ARG 23 -3.138 6.493 -6.170 198 1HH1 ARG 23 1HH1 ARG 23 -1.700 6.940 -9.329 199 2HH1 ARG 23 2HH1 ARG 23 -3.187 7.433 -10.067 200 1HH2 ARG 23 1HH2 ARG 23 -5.085 7.143 -7.149 201 2HH2 ARG 23 2HH2 ARG 23 -5.104 7.549 -8.833 202 H ASP 24 H ASP 24 3.901 6.299 -5.667 203 HA ASP 24 HA ASP 24 3.629 3.898 -7.126 204 1HB ASP 24 2HB ASP 24 5.563 6.005 -6.890 205 2HB ASP 24 1HB ASP 24 6.398 4.458 -6.802 206 H PHE 25 H PHE 25 5.008 4.648 -3.992 207 HA PHE 25 HA PHE 25 6.176 2.063 -3.605 208 1HB PHE 25 2HB PHE 25 6.727 4.351 -2.431 209 2HB PHE 25 1HB PHE 25 5.430 3.881 -1.337 210 HD1 PHE 25 1HD PHE 25 6.322 3.173 0.655 211 HD2 PHE 25 2HD PHE 25 8.175 1.967 -2.981 212 HE1 PHE 25 1HE PHE 25 7.903 1.779 1.926 213 HE2 PHE 25 2HE PHE 25 9.757 0.571 -1.717 214 HZ PHE 25 HZ PHE 25 9.622 0.475 0.740 215 H ILE 26 H ILE 26 3.231 3.721 -2.608 216 HA ILE 26 HA ILE 26 2.145 1.680 -1.014 217 HB ILE 26 HB ILE 26 0.775 3.849 -2.615 218 1HG1 ILE 26 2HG1 ILE 26 1.537 3.656 0.307 219 2HG1 ILE 26 1HG1 ILE 26 2.294 4.690 -0.900 220 1HG2 ILE 26 1HG2 ILE 26 -0.336 1.925 -0.580 221 2HG2 ILE 26 2HG2 ILE 26 -0.912 2.237 -2.217 222 3HG2 ILE 26 3HG2 ILE 26 -1.120 3.459 -0.962 223 1HD1 ILE 26 1HD1 ILE 26 0.924 6.232 -0.012 224 2HD1 ILE 26 2HD1 ILE 26 -0.223 5.031 0.581 225 3HD1 ILE 26 3HD1 ILE 26 -0.252 5.515 -1.114 226 H GLU 27 H GLU 27 1.752 2.433 -4.469 227 HA GLU 27 HA GLU 27 0.004 0.240 -4.963 228 1HB GLU 27 2HB GLU 27 0.682 2.482 -6.359 229 2HB GLU 27 1HB GLU 27 1.599 1.261 -7.226 230 1HG GLU 27 2HG GLU 27 -0.272 0.192 -7.989 231 2HG GLU 27 1HG GLU 27 -1.265 0.733 -6.637 232 H LEU 28 H LEU 28 3.455 0.716 -5.031 233 HA LEU 28 HA LEU 28 4.121 -1.672 -6.405 234 1HB LEU 28 2HB LEU 28 5.793 -0.038 -6.391 235 2HB LEU 28 1HB LEU 28 5.592 0.294 -4.684 236 HG LEU 28 HG LEU 28 6.681 -2.363 -5.519 237 1HD1 LEU 28 1HD1 LEU 28 8.829 -1.586 -5.873 238 2HD1 LEU 28 2HD1 LEU 28 8.504 -0.030 -5.110 239 3HD1 LEU 28 3HD1 LEU 28 7.852 -0.381 -6.711 240 1HD2 LEU 28 1HD2 LEU 28 6.769 -0.573 -3.131 241 2HD2 LEU 28 2HD2 LEU 28 8.054 -1.753 -3.389 242 3HD2 LEU 28 3HD2 LEU 28 6.382 -2.290 -3.232 243 H ILE 29 H ILE 29 3.936 -0.821 -2.965 244 HA ILE 29 HA ILE 29 4.653 -3.414 -2.043 245 HB ILE 29 HB ILE 29 3.098 -1.290 -0.556 246 1HG1 ILE 29 2HG1 ILE 29 6.018 -1.702 -0.143 247 2HG1 ILE 29 1HG1 ILE 29 5.523 -0.850 -1.600 248 1HG2 ILE 29 1HG2 ILE 29 2.993 -3.492 0.477 249 2HG2 ILE 29 2HG2 ILE 29 3.974 -2.391 1.445 250 3HG2 ILE 29 3HG2 ILE 29 4.752 -3.608 0.433 251 1HD1 ILE 29 1HD1 ILE 29 4.109 0.210 0.643 252 2HD1 ILE 29 2HD1 ILE 29 5.239 1.013 -0.447 253 3HD1 ILE 29 3HD1 ILE 29 5.839 0.182 0.987 254 H GLU 30 H GLU 30 1.663 -1.845 -2.937 255 HA GLU 30 HA GLU 30 -0.043 -3.893 -1.864 256 1HB GLU 30 2HB GLU 30 -0.623 -1.418 -2.371 257 2HB GLU 30 1HB GLU 30 -0.839 -1.961 -4.027 258 1HG GLU 30 2HG GLU 30 -2.371 -3.764 -2.875 259 2HG GLU 30 1HG GLU 30 -2.457 -2.539 -1.608 260 H ASN 31 H ASN 31 1.537 -3.206 -4.903 261 HA ASN 31 HA ASN 31 0.088 -5.088 -6.466 262 1HB ASN 31 2HB ASN 31 2.595 -3.499 -6.813 263 2HB ASN 31 1HB ASN 31 2.296 -4.843 -7.908 264 1HD2 ASN 31 1HD2 ASN 31 2.143 -3.364 -9.628 265 2HD2 ASN 31 2HD2 ASN 31 0.719 -2.416 -9.871 266 H GLU 32 H GLU 32 2.829 -5.301 -4.329 267 HA GLU 32 HA GLU 32 3.648 -7.899 -5.287 268 1HB GLU 32 2HB GLU 32 5.312 -6.382 -4.320 269 2HB GLU 32 1HB GLU 32 4.429 -6.360 -2.800 270 1HG GLU 32 2HG GLU 32 6.225 -7.826 -2.467 271 2HG GLU 32 1HG GLU 32 4.811 -8.855 -2.692 272 H ILE 33 H ILE 33 2.007 -6.562 -2.465 273 HA ILE 33 HA ILE 33 1.500 -9.004 -1.151 274 HB ILE 33 HB ILE 33 -0.058 -6.410 -1.056 275 1HG1 ILE 33 2HG1 ILE 33 1.940 -7.343 0.985 276 2HG1 ILE 33 1HG1 ILE 33 2.463 -6.471 -0.452 277 1HG2 ILE 33 1HG2 ILE 33 -1.415 -7.285 0.490 278 2HG2 ILE 33 2HG2 ILE 33 -0.071 -8.019 1.365 279 3HG2 ILE 33 3HG2 ILE 33 -0.802 -8.863 0.001 280 1HD1 ILE 33 1HD1 ILE 33 2.182 -5.007 1.487 281 2HD1 ILE 33 2HD1 ILE 33 0.479 -5.456 1.567 282 3HD1 ILE 33 3HD1 ILE 33 1.094 -4.577 0.167 283 H LYS 34 H LYS 34 -0.132 -7.270 -3.731 284 HA LYS 34 HA LYS 34 -2.545 -8.774 -3.663 285 1HB LYS 34 2HB LYS 34 -1.284 -6.795 -5.457 286 2HB LYS 34 1HB LYS 34 -2.380 -7.920 -6.248 287 1HG LYS 34 2HG LYS 34 -4.116 -7.297 -4.571 288 2HG LYS 34 1HG LYS 34 -3.014 -6.053 -3.977 289 1HD LYS 34 2HD LYS 34 -2.990 -5.527 -6.634 290 2HD LYS 34 1HD LYS 34 -4.634 -6.135 -6.433 291 1HE LYS 34 2HE LYS 34 -4.684 -4.510 -4.395 292 2HE LYS 34 1HE LYS 34 -3.336 -3.730 -5.222 293 1HZ LYS 34 1HZ LYS 34 -4.676 -3.267 -7.082 294 2HZ LYS 34 2HZ LYS 34 -5.613 -2.841 -5.740 295 3HZ LYS 34 3HZ LYS 34 -5.919 -4.289 -6.560 296 H ARG 35 H ARG 35 0.412 -8.973 -5.628 297 HA ARG 35 HA ARG 35 -0.398 -11.291 -7.068 298 1HB ARG 35 2HB ARG 35 1.555 -9.491 -7.450 299 2HB ARG 35 1HB ARG 35 2.495 -10.748 -6.659 300 1HG ARG 35 2HG ARG 35 0.721 -11.535 -8.906 301 2HG ARG 35 1HG ARG 35 2.211 -10.664 -9.277 302 1HD ARG 35 2HD ARG 35 2.237 -13.049 -7.463 303 2HD ARG 35 1HD ARG 35 2.246 -13.251 -9.214 304 HE ARG 35 HE ARG 35 4.254 -11.424 -8.359 305 1HH1 ARG 35 1HH1 ARG 35 3.522 -14.839 -8.597 306 2HH1 ARG 35 2HH1 ARG 35 5.185 -15.311 -8.671 307 1HH2 ARG 35 1HH2 ARG 35 6.435 -12.055 -8.458 308 2HH2 ARG 35 2HH2 ARG 35 6.837 -13.735 -8.592 309 H ARG 36 H ARG 36 1.042 -10.745 -3.962 310 HA ARG 36 HA ARG 36 2.078 -13.392 -3.618 311 1HB ARG 36 2HB ARG 36 1.673 -11.024 -1.815 312 2HB ARG 36 1HB ARG 36 2.157 -12.577 -1.158 313 1HG ARG 36 2HG ARG 36 3.854 -12.038 -3.353 314 2HG ARG 36 1HG ARG 36 3.759 -10.567 -2.386 315 1HD ARG 36 2HD ARG 36 5.293 -11.478 -1.054 316 2HD ARG 36 1HD ARG 36 4.037 -12.586 -0.507 317 HE ARG 36 HE ARG 36 5.145 -13.624 -2.850 318 1HH1 ARG 36 1HH1 ARG 36 6.108 -12.982 0.452 319 2HH1 ARG 36 2HH1 ARG 36 7.278 -14.257 0.485 320 1HH2 ARG 36 1HH2 ARG 36 6.683 -15.298 -2.797 321 2HH2 ARG 36 2HH2 ARG 36 7.604 -15.569 -1.356 322 H SER 37 H SER 37 -1.068 -12.388 -3.801 323 HA SER 37 HA SER 37 -3.053 -13.282 -3.163 324 1HB SER 37 2HB SER 37 -1.984 -15.419 -3.847 325 2HB SER 37 1HB SER 37 -1.378 -15.619 -2.203 326 HG SER 37 HG SER 37 -3.221 -16.554 -1.852 327 H LEU 38 H LEU 38 -1.591 -11.565 -1.403 328 HA LEU 38 HA LEU 38 -2.622 -12.477 1.209 329 1HB LEU 38 2HB LEU 38 -0.046 -12.256 0.766 330 2HB LEU 38 1HB LEU 38 -0.362 -10.544 0.984 331 HG LEU 38 HG LEU 38 -1.338 -11.055 3.213 332 1HD1 LEU 38 1HD1 LEU 38 -0.442 -13.405 4.031 333 2HD1 LEU 38 2HD1 LEU 38 -0.679 -13.807 2.329 334 3HD1 LEU 38 3HD1 LEU 38 -2.034 -13.218 3.294 335 1HD2 LEU 38 1HD2 LEU 38 0.738 -11.238 4.315 336 2HD2 LEU 38 2HD2 LEU 38 1.070 -10.412 2.793 337 3HD2 LEU 38 3HD2 LEU 38 1.458 -12.124 2.971 338 H GLY 39 H GLY 39 -3.844 -10.797 -0.995 339 1HA GLY 39 2HA GLY 39 -3.868 -8.096 -0.239 340 2HA GLY 39 1HA GLY 39 -5.137 -8.894 -1.141 341 H HIS 40 H HIS 40 -5.568 -10.865 1.044 342 HA HIS 40 HA HIS 40 -7.638 -9.564 2.399 343 1HB HIS 40 2HB HIS 40 -7.150 -12.102 2.064 344 2HB HIS 40 1HB HIS 40 -6.272 -11.941 3.578 345 HD1 HIS 40 1HD HIS 40 -9.607 -12.471 2.240 346 HD2 HIS 40 2HD HIS 40 -7.978 -11.005 5.771 347 HE1 HIS 40 1HE HIS 40 -11.480 -12.525 3.918 348 HE2 HIS 40 2HE HIS 40 -10.495 -11.545 6.020 349 H ILE 41 H ILE 41 -4.250 -9.717 3.060 350 HA ILE 41 HA ILE 41 -4.427 -9.039 5.835 351 HB ILE 41 HB ILE 41 -2.519 -10.242 4.556 352 1HG1 ILE 41 2HG1 ILE 41 -0.848 -9.430 6.207 353 2HG1 ILE 41 1HG1 ILE 41 -1.972 -8.150 6.656 354 1HG2 ILE 41 1HG2 ILE 41 -0.977 -9.115 3.371 355 2HG2 ILE 41 2HG2 ILE 41 -1.080 -7.683 4.394 356 3HG2 ILE 41 3HG2 ILE 41 -2.291 -7.963 3.145 357 1HD1 ILE 41 1HD1 ILE 41 -3.039 -10.894 6.701 358 2HD1 ILE 41 2HD1 ILE 41 -3.297 -9.554 7.819 359 3HD1 ILE 41 3HD1 ILE 41 -1.816 -10.507 7.912 360 H ILE 42 H ILE 42 -4.246 -7.296 2.832 361 HA ILE 42 HA ILE 42 -3.788 -4.736 4.167 362 HB ILE 42 HB ILE 42 -3.848 -3.833 1.792 363 1HG1 ILE 42 2HG1 ILE 42 -3.608 -6.743 1.074 364 2HG1 ILE 42 1HG1 ILE 42 -5.079 -5.805 0.878 365 1HG2 ILE 42 1HG2 ILE 42 -1.611 -4.435 1.317 366 2HG2 ILE 42 2HG2 ILE 42 -1.756 -5.938 2.229 367 3HG2 ILE 42 3HG2 ILE 42 -1.773 -4.388 3.073 368 1HD1 ILE 42 1HD1 ILE 42 -3.891 -4.308 -0.661 369 2HD1 ILE 42 2HD1 ILE 42 -3.895 -5.980 -1.221 370 3HD1 ILE 42 3HD1 ILE 42 -2.445 -5.301 -0.481 371 H SER 43 H SER 43 -5.137 -2.870 3.291 372 HA SER 43 HA SER 43 -7.971 -3.652 3.358 373 1HB SER 43 2HB SER 43 -6.905 -2.007 5.081 374 2HB SER 43 1HB SER 43 -6.984 -0.838 3.764 375 HG SER 43 HG SER 43 -9.002 -0.602 4.249 376 H VAL 44 H VAL 44 -7.655 -4.227 1.062 377 HA VAL 44 HA VAL 44 -7.188 -2.120 -0.840 378 HB VAL 44 HB VAL 44 -8.453 -4.692 -1.686 379 1HG1 VAL 44 1HG1 VAL 44 -6.561 -2.686 -2.786 380 2HG1 VAL 44 2HG1 VAL 44 -7.975 -3.434 -3.528 381 3HG1 VAL 44 3HG1 VAL 44 -6.471 -4.343 -3.379 382 1HG2 VAL 44 1HG2 VAL 44 -6.956 -5.832 -0.423 383 2HG2 VAL 44 2HG2 VAL 44 -5.851 -4.463 -0.313 384 3HG2 VAL 44 3HG2 VAL 44 -5.888 -5.448 -1.774 385 H SER 45 H SER 45 -8.792 -1.777 -2.659 386 HA SER 45 HA SER 45 -11.347 -1.083 -1.474 387 1HB SER 45 2HB SER 45 -10.066 -0.467 -4.138 388 2HB SER 45 1HB SER 45 -11.727 -0.013 -3.757 389 HG SER 45 HG SER 45 -10.426 1.706 -3.230 390 H SER 46 H SER 46 -12.388 -3.060 -1.225 391 HA SER 46 HA SER 46 -13.609 -4.089 -3.645 392 1HB SER 46 2HB SER 46 -12.552 -6.225 -1.875 393 2HB SER 46 1HB SER 46 -12.756 -6.209 -3.627 394 HG SER 46 HG SER 46 -10.532 -6.159 -2.836 Start of MODEL 12 1 1H MET 1 1HT MET 1 12.993 -3.566 -0.563 2 2H MET 1 2HT MET 1 12.015 -4.938 -0.234 3 3H MET 1 3HT MET 1 11.373 -3.358 -0.042 4 HA MET 1 HA MET 1 10.498 -4.067 -2.009 5 1HB MET 1 2HB MET 1 12.174 -1.923 -1.874 6 2HB MET 1 1HB MET 1 12.868 -2.797 -3.232 7 1HG MET 1 2HG MET 1 10.041 -1.804 -2.969 8 2HG MET 1 1HG MET 1 11.294 -1.185 -4.044 9 1HE MET 1 1HE MET 1 8.780 -3.507 -3.099 10 2HE MET 1 2HE MET 1 8.936 -4.965 -4.079 11 3HE MET 1 3HE MET 1 8.027 -3.583 -4.692 12 H ARG 2 H ARG 2 13.843 -5.044 -1.648 13 HA ARG 2 HA ARG 2 13.864 -6.585 -4.088 14 1HB ARG 2 2HB ARG 2 15.875 -5.438 -2.971 15 2HB ARG 2 1HB ARG 2 15.875 -6.800 -1.860 16 1HG ARG 2 2HG ARG 2 16.652 -8.251 -3.415 17 2HG ARG 2 1HG ARG 2 15.837 -7.431 -4.749 18 1HD ARG 2 2HD ARG 2 17.596 -5.528 -4.068 19 2HD ARG 2 1HD ARG 2 18.503 -6.952 -3.561 20 HE ARG 2 HE ARG 2 18.065 -6.079 -6.222 21 1HH1 ARG 2 1HH1 ARG 2 18.346 -8.987 -4.295 22 2HH1 ARG 2 2HH1 ARG 2 18.897 -9.954 -5.622 23 1HH2 ARG 2 1HH2 ARG 2 18.789 -7.358 -7.956 24 2HH2 ARG 2 2HH2 ARG 2 19.149 -9.032 -7.695 25 H LYS 3 H LYS 3 13.879 -7.313 -0.605 26 HA LYS 3 HA LYS 3 12.297 -9.662 -1.003 27 1HB LYS 3 2HB LYS 3 14.229 -11.016 0.283 28 2HB LYS 3 1HB LYS 3 14.059 -11.016 -1.462 29 1HG LYS 3 2HG LYS 3 16.379 -10.704 -0.758 30 2HG LYS 3 1HG LYS 3 15.774 -9.314 -1.662 31 1HD LYS 3 2HD LYS 3 15.350 -8.154 0.480 32 2HD LYS 3 1HD LYS 3 16.049 -9.528 1.337 33 1HE LYS 3 2HE LYS 3 17.694 -8.357 -0.817 34 2HE LYS 3 1HE LYS 3 17.453 -7.351 0.610 35 1HZ LYS 3 1HZ LYS 3 18.650 -10.058 0.487 36 2HZ LYS 3 2HZ LYS 3 18.192 -9.322 1.939 37 3HZ LYS 3 3HZ LYS 3 19.392 -8.619 0.977 38 H LEU 4 H LEU 4 10.890 -8.995 0.528 39 HA LEU 4 HA LEU 4 11.894 -8.924 3.287 40 1HB LEU 4 2HB LEU 4 9.659 -7.099 2.546 41 2HB LEU 4 1HB LEU 4 10.823 -6.962 3.847 42 HG LEU 4 HG LEU 4 11.479 -6.493 0.936 43 1HD1 LEU 4 1HD1 LEU 4 10.446 -4.701 3.065 44 2HD1 LEU 4 2HD1 LEU 4 10.161 -4.678 1.325 45 3HD1 LEU 4 3HD1 LEU 4 11.684 -4.072 1.976 46 1HD2 LEU 4 1HD2 LEU 4 13.191 -7.117 2.936 47 2HD2 LEU 4 2HD2 LEU 4 13.133 -5.361 3.089 48 3HD2 LEU 4 3HD2 LEU 4 13.606 -6.098 1.558 49 H SER 5 H SER 5 10.534 -9.777 4.829 50 HA SER 5 HA SER 5 8.658 -11.714 3.988 51 1HB SER 5 2HB SER 5 8.786 -10.581 6.776 52 2HB SER 5 1HB SER 5 8.362 -12.220 6.278 53 HG SER 5 HG SER 5 10.786 -11.185 6.850 54 H ASP 6 H ASP 6 6.366 -11.801 4.775 55 HA ASP 6 HA ASP 6 4.892 -9.659 3.735 56 1HB ASP 6 2HB ASP 6 3.614 -11.366 5.841 57 2HB ASP 6 1HB ASP 6 2.959 -10.779 4.324 58 H GLU 7 H GLU 7 6.279 -10.144 6.868 59 HA GLU 7 HA GLU 7 4.648 -8.248 8.245 60 1HB GLU 7 2HB GLU 7 6.979 -9.920 8.847 61 2HB GLU 7 1HB GLU 7 7.017 -8.362 9.660 62 1HG GLU 7 2HG GLU 7 5.055 -8.790 10.837 63 2HG GLU 7 1HG GLU 7 4.580 -10.096 9.751 64 H LEU 8 H LEU 8 7.723 -8.147 6.562 65 HA LEU 8 HA LEU 8 8.169 -5.366 7.198 66 1HB LEU 8 2HB LEU 8 9.615 -7.449 5.639 67 2HB LEU 8 1HB LEU 8 9.983 -5.760 5.333 68 HG LEU 8 HG LEU 8 11.516 -6.791 6.960 69 1HD1 LEU 8 1HD1 LEU 8 9.988 -4.851 8.584 70 2HD1 LEU 8 2HD1 LEU 8 10.546 -4.319 6.999 71 3HD1 LEU 8 3HD1 LEU 8 11.706 -4.898 8.194 72 1HD2 LEU 8 1HD2 LEU 8 9.496 -8.188 7.909 73 2HD2 LEU 8 2HD2 LEU 8 9.372 -6.818 9.014 74 3HD2 LEU 8 3HD2 LEU 8 10.868 -7.750 8.929 75 H LEU 9 H LEU 9 6.888 -7.269 4.564 76 HA LEU 9 HA LEU 9 6.816 -5.127 2.670 77 1HB LEU 9 2HB LEU 9 6.930 -7.399 1.879 78 2HB LEU 9 1HB LEU 9 5.467 -7.822 2.745 79 HG LEU 9 HG LEU 9 4.308 -6.083 1.229 80 1HD1 LEU 9 1HD1 LEU 9 5.336 -5.600 -0.858 81 2HD1 LEU 9 2HD1 LEU 9 6.701 -6.659 -0.504 82 3HD1 LEU 9 3HD1 LEU 9 6.489 -5.159 0.401 83 1HD2 LEU 9 1HD2 LEU 9 4.115 -7.786 -0.600 84 2HD2 LEU 9 2HD2 LEU 9 3.818 -8.406 1.024 85 3HD2 LEU 9 3HD2 LEU 9 5.359 -8.722 0.227 86 H ILE 10 H ILE 10 4.468 -6.649 4.830 87 HA ILE 10 HA ILE 10 2.303 -5.029 3.962 88 HB ILE 10 HB ILE 10 2.633 -6.699 6.453 89 1HG1 ILE 10 2HG1 ILE 10 0.898 -7.215 4.045 90 2HG1 ILE 10 1HG1 ILE 10 2.578 -7.738 4.109 91 1HG2 ILE 10 1HG2 ILE 10 0.269 -6.472 6.842 92 2HG2 ILE 10 2HG2 ILE 10 0.080 -5.492 5.388 93 3HG2 ILE 10 3HG2 ILE 10 0.975 -4.858 6.768 94 1HD1 ILE 10 1HD1 ILE 10 0.498 -9.234 4.882 95 2HD1 ILE 10 2HD1 ILE 10 0.935 -8.487 6.415 96 3HD1 ILE 10 3HD1 ILE 10 2.132 -9.416 5.512 97 H GLU 11 H GLU 11 4.689 -4.784 6.530 98 HA GLU 11 HA GLU 11 3.531 -2.615 7.906 99 1HB GLU 11 2HB GLU 11 6.190 -3.890 7.795 100 2HB GLU 11 1HB GLU 11 6.188 -2.212 8.306 101 1HG GLU 11 2HG GLU 11 6.078 -3.833 10.171 102 2HG GLU 11 1HG GLU 11 4.734 -2.692 10.133 103 H SER 12 H SER 12 5.345 -2.845 4.943 104 HA SER 12 HA SER 12 6.048 -0.082 4.770 105 1HB SER 12 2HB SER 12 5.724 -2.007 2.459 106 2HB SER 12 1HB SER 12 6.737 -0.565 2.525 107 HG SER 12 HG SER 12 8.087 -1.599 3.961 108 H TYR 13 H TYR 13 3.465 -2.095 3.417 109 HA TYR 13 HA TYR 13 2.153 -0.010 2.024 110 1HB TYR 13 2HB TYR 13 1.762 -2.422 1.586 111 2HB TYR 13 1HB TYR 13 0.970 -2.561 3.151 112 HD1 TYR 13 1HD TYR 13 -1.321 -2.171 3.340 113 HD2 TYR 13 2HD TYR 13 0.744 -0.763 -0.102 114 HE1 TYR 13 1HE TYR 13 -3.468 -1.542 2.316 115 HE2 TYR 13 2HE TYR 13 -1.396 -0.127 -1.134 116 HH TYR 13 HH TYR 13 -3.900 0.502 0.058 117 H PHE 14 H PHE 14 1.796 -1.373 5.261 118 HA PHE 14 HA PHE 14 -0.443 0.190 6.016 119 1HB PHE 14 2HB PHE 14 1.650 -1.273 7.605 120 2HB PHE 14 1HB PHE 14 0.322 -0.421 8.369 121 HD1 PHE 14 1HD PHE 14 -0.101 -2.680 9.410 122 HD2 PHE 14 2HD PHE 14 -0.564 -1.969 5.236 123 HE1 PHE 14 1HE PHE 14 -1.486 -4.705 9.216 124 HE2 PHE 14 2HE PHE 14 -1.943 -3.987 5.042 125 HZ PHE 14 HZ PHE 14 -2.410 -5.365 7.028 126 H LYS 15 H LYS 15 3.039 0.588 6.397 127 HA LYS 15 HA LYS 15 2.930 2.956 7.931 128 1HB LYS 15 2HB LYS 15 5.038 1.605 6.286 129 2HB LYS 15 1HB LYS 15 5.322 3.226 6.902 130 1HG LYS 15 2HG LYS 15 4.627 0.835 8.594 131 2HG LYS 15 1HG LYS 15 6.254 1.473 8.352 132 1HD LYS 15 2HD LYS 15 5.818 2.655 10.216 133 2HD LYS 15 1HD LYS 15 4.921 3.711 9.124 134 1HE LYS 15 2HE LYS 15 2.919 3.055 9.926 135 2HE LYS 15 1HE LYS 15 3.433 1.380 10.127 136 1HZ LYS 15 1HZ LYS 15 2.954 2.931 12.176 137 2HZ LYS 15 2HZ LYS 15 4.566 3.383 11.932 138 3HZ LYS 15 3HZ LYS 15 4.177 1.763 12.224 139 H ALA 16 H ALA 16 3.403 2.380 4.461 140 HA ALA 16 HA ALA 16 3.635 5.054 3.683 141 1HB ALA 16 1HB ALA 16 3.065 4.260 1.424 142 2HB ALA 16 2HB ALA 16 2.587 2.706 2.107 143 3HB ALA 16 3HB ALA 16 4.266 3.236 2.211 144 H THR 17 H THR 17 0.789 3.123 4.369 145 HA THR 17 HA THR 17 -1.038 4.965 3.162 146 HB THR 17 HB THR 17 -2.778 3.721 4.426 147 HG1 THR 17 1HG THR 17 -2.083 1.902 5.633 148 1HG2 THR 17 1HG2 THR 17 -1.914 1.334 3.576 149 2HG2 THR 17 2HG2 THR 17 -0.852 2.394 2.646 150 3HG2 THR 17 3HG2 THR 17 -2.603 2.562 2.515 151 H GLU 18 H GLU 18 0.448 4.585 6.300 152 HA GLU 18 HA GLU 18 -1.221 6.498 7.623 153 1HB GLU 18 2HB GLU 18 1.134 4.854 8.315 154 2HB GLU 18 1HB GLU 18 0.968 6.359 9.208 155 1HG GLU 18 2HG GLU 18 -1.525 5.462 9.463 156 2HG GLU 18 1HG GLU 18 -0.696 3.917 9.269 157 H MET 19 H MET 19 2.123 6.534 6.446 158 HA MET 19 HA MET 19 2.403 9.354 6.960 159 1HB MET 19 2HB MET 19 4.625 9.050 5.915 160 2HB MET 19 1HB MET 19 4.320 7.974 7.262 161 1HG MET 19 2HG MET 19 3.504 6.527 5.053 162 2HG MET 19 1HG MET 19 4.944 7.377 4.502 163 1HE MET 19 1HE MET 19 5.600 3.778 5.003 164 2HE MET 19 2HE MET 19 7.053 4.761 4.816 165 3HE MET 19 3HE MET 19 5.585 5.183 3.940 166 H ASN 20 H ASN 20 1.076 7.560 4.453 167 HA ASN 20 HA ASN 20 0.287 8.087 2.398 168 1HB ASN 20 2HB ASN 20 0.775 10.803 3.543 169 2HB ASN 20 1HB ASN 20 0.424 10.663 1.825 170 1HD2 ASN 20 1HD2 ASN 20 -1.509 11.813 2.169 171 2HD2 ASN 20 2HD2 ASN 20 -2.896 11.043 2.852 172 H LEU 21 H LEU 21 2.779 7.059 2.511 173 HA LEU 21 HA LEU 21 4.838 8.476 1.260 174 1HB LEU 21 2HB LEU 21 4.745 6.105 2.395 175 2HB LEU 21 1HB LEU 21 4.434 5.551 0.762 176 HG LEU 21 HG LEU 21 6.798 7.302 1.259 177 1HD1 LEU 21 1HD1 LEU 21 6.459 4.500 2.194 178 2HD1 LEU 21 2HD1 LEU 21 7.346 5.839 2.924 179 3HD1 LEU 21 3HD1 LEU 21 8.016 4.994 1.528 180 1HD2 LEU 21 1HD2 LEU 21 7.217 5.031 -0.447 181 2HD2 LEU 21 2HD2 LEU 21 7.268 6.747 -0.845 182 3HD2 LEU 21 3HD2 LEU 21 5.742 5.870 -0.928 183 H ASN 22 H ASN 22 5.669 8.133 -0.964 184 HA ASN 22 HA ASN 22 4.086 9.023 -2.959 185 1HB ASN 22 2HB ASN 22 6.623 8.497 -2.941 186 2HB ASN 22 1HB ASN 22 6.148 6.934 -3.599 187 1HD2 ASN 22 1HD2 ASN 22 6.190 6.814 -5.712 188 2HD2 ASN 22 2HD2 ASN 22 5.961 8.122 -6.817 189 H ARG 23 H ARG 23 2.537 8.319 -4.285 190 HA ARG 23 HA ARG 23 1.017 6.080 -3.782 191 1HB ARG 23 2HB ARG 23 0.554 8.177 -5.252 192 2HB ARG 23 1HB ARG 23 1.189 7.189 -6.560 193 1HG ARG 23 2HG ARG 23 -1.211 7.041 -6.521 194 2HG ARG 23 1HG ARG 23 -0.517 5.483 -6.067 195 1HD ARG 23 2HD ARG 23 -1.257 5.624 -3.922 196 2HD ARG 23 1HD ARG 23 -1.124 7.381 -3.876 197 HE ARG 23 HE ARG 23 -3.447 5.881 -4.465 198 1HH1 ARG 23 1HH1 ARG 23 -1.768 8.795 -5.431 199 2HH1 ARG 23 2HH1 ARG 23 -3.211 9.596 -5.952 200 1HH2 ARG 23 1HH2 ARG 23 -5.337 6.941 -5.152 201 2HH2 ARG 23 2HH2 ARG 23 -5.233 8.547 -5.793 202 H ASP 24 H ASP 24 3.939 6.282 -5.642 203 HA ASP 24 HA ASP 24 3.527 3.889 -7.133 204 1HB ASP 24 2HB ASP 24 5.285 5.934 -7.356 205 2HB ASP 24 1HB ASP 24 6.309 4.733 -6.574 206 H PHE 25 H PHE 25 4.951 4.626 -4.012 207 HA PHE 25 HA PHE 25 6.067 2.008 -3.649 208 1HB PHE 25 2HB PHE 25 6.726 4.272 -2.494 209 2HB PHE 25 1HB PHE 25 5.442 3.850 -1.365 210 HD1 PHE 25 1HD PHE 25 7.954 1.705 -3.079 211 HD2 PHE 25 2HD PHE 25 6.483 3.242 0.608 212 HE1 PHE 25 1HE PHE 25 9.514 0.250 -1.854 213 HE2 PHE 25 2HE PHE 25 8.042 1.790 1.838 214 HZ PHE 25 HZ PHE 25 9.560 0.291 0.606 215 H ILE 26 H ILE 26 3.167 3.728 -2.625 216 HA ILE 26 HA ILE 26 2.092 1.721 -0.973 217 HB ILE 26 HB ILE 26 0.729 3.894 -2.576 218 1HG1 ILE 26 2HG1 ILE 26 1.500 3.678 0.341 219 2HG1 ILE 26 1HG1 ILE 26 2.237 4.731 -0.860 220 1HG2 ILE 26 1HG2 ILE 26 -1.194 3.527 -0.984 221 2HG2 ILE 26 2HG2 ILE 26 -0.420 2.013 -0.517 222 3HG2 ILE 26 3HG2 ILE 26 -0.955 2.255 -2.180 223 1HD1 ILE 26 1HD1 ILE 26 -0.436 4.949 0.454 224 2HD1 ILE 26 2HD1 ILE 26 -0.122 5.740 -1.090 225 3HD1 ILE 26 3HD1 ILE 26 0.849 6.150 0.323 226 H GLU 27 H GLU 27 1.765 2.382 -4.440 227 HA GLU 27 HA GLU 27 -0.028 0.195 -4.890 228 1HB GLU 27 2HB GLU 27 0.614 2.425 -6.315 229 2HB GLU 27 1HB GLU 27 1.543 1.208 -7.174 230 1HG GLU 27 2HG GLU 27 -0.406 -0.049 -7.676 231 2HG GLU 27 1HG GLU 27 -1.390 0.931 -6.590 232 H LEU 28 H LEU 28 3.419 0.707 -5.016 233 HA LEU 28 HA LEU 28 4.101 -1.680 -6.374 234 1HB LEU 28 2HB LEU 28 5.754 -0.024 -6.364 235 2HB LEU 28 1HB LEU 28 5.566 0.292 -4.653 236 HG LEU 28 HG LEU 28 6.660 -2.355 -5.505 237 1HD1 LEU 28 1HD1 LEU 28 8.685 -1.594 -6.137 238 2HD1 LEU 28 2HD1 LEU 28 8.626 -0.211 -5.046 239 3HD1 LEU 28 3HD1 LEU 28 7.776 -0.153 -6.589 240 1HD2 LEU 28 1HD2 LEU 28 6.475 -2.333 -3.230 241 2HD2 LEU 28 2HD2 LEU 28 6.694 -0.586 -3.119 242 3HD2 LEU 28 3HD2 LEU 28 8.085 -1.633 -3.395 243 H ILE 29 H ILE 29 3.922 -0.837 -2.928 244 HA ILE 29 HA ILE 29 4.680 -3.416 -2.008 245 HB ILE 29 HB ILE 29 3.043 -1.368 -0.508 246 1HG1 ILE 29 2HG1 ILE 29 5.962 -1.585 -0.052 247 2HG1 ILE 29 1HG1 ILE 29 5.474 -0.833 -1.567 248 1HG2 ILE 29 1HG2 ILE 29 3.220 -3.732 0.371 249 2HG2 ILE 29 2HG2 ILE 29 3.751 -2.455 1.464 250 3HG2 ILE 29 3HG2 ILE 29 4.941 -3.422 0.593 251 1HD1 ILE 29 1HD1 ILE 29 3.869 0.340 0.387 252 2HD1 ILE 29 2HD1 ILE 29 5.242 1.062 -0.452 253 3HD1 ILE 29 3HD1 ILE 29 5.483 0.244 1.091 254 H GLU 30 H GLU 30 1.656 -1.906 -2.902 255 HA GLU 30 HA GLU 30 -0.001 -4.001 -1.843 256 1HB GLU 30 2HB GLU 30 -0.629 -1.526 -2.335 257 2HB GLU 30 1HB GLU 30 -0.866 -2.082 -3.985 258 1HG GLU 30 2HG GLU 30 -2.272 -3.935 -2.571 259 2HG GLU 30 1HG GLU 30 -2.514 -2.479 -1.606 260 H ASN 31 H ASN 31 1.533 -3.246 -4.893 261 HA ASN 31 HA ASN 31 0.115 -5.115 -6.481 262 1HB ASN 31 2HB ASN 31 2.640 -3.543 -6.781 263 2HB ASN 31 1HB ASN 31 2.337 -4.868 -7.899 264 1HD2 ASN 31 1HD2 ASN 31 2.512 -2.650 -9.147 265 2HD2 ASN 31 2HD2 ASN 31 0.982 -1.961 -9.561 266 H GLU 32 H GLU 32 2.885 -5.356 -4.377 267 HA GLU 32 HA GLU 32 3.650 -7.972 -5.335 268 1HB GLU 32 2HB GLU 32 5.249 -6.289 -4.310 269 2HB GLU 32 1HB GLU 32 4.496 -6.635 -2.759 270 1HG GLU 32 2HG GLU 32 6.053 -8.202 -2.533 271 2HG GLU 32 1HG GLU 32 5.109 -9.137 -3.691 272 H ILE 33 H ILE 33 2.081 -6.595 -2.492 273 HA ILE 33 HA ILE 33 1.556 -9.025 -1.159 274 HB ILE 33 HB ILE 33 0.085 -6.378 -1.034 275 1HG1 ILE 33 2HG1 ILE 33 2.072 -7.441 0.961 276 2HG1 ILE 33 1HG1 ILE 33 2.586 -6.510 -0.442 277 1HG2 ILE 33 1HG2 ILE 33 -1.150 -8.435 -0.147 278 2HG2 ILE 33 2HG2 ILE 33 -0.964 -7.070 0.949 279 3HG2 ILE 33 3HG2 ILE 33 0.081 -8.479 1.113 280 1HD1 ILE 33 1HD1 ILE 33 2.367 -5.138 1.571 281 2HD1 ILE 33 2HD1 ILE 33 0.656 -5.559 1.661 282 3HD1 ILE 33 3HD1 ILE 33 1.264 -4.624 0.294 283 H LYS 34 H LYS 34 -0.068 -7.273 -3.727 284 HA LYS 34 HA LYS 34 -2.511 -8.737 -3.621 285 1HB LYS 34 2HB LYS 34 -1.230 -6.814 -5.495 286 2HB LYS 34 1HB LYS 34 -2.498 -7.844 -6.143 287 1HG LYS 34 2HG LYS 34 -2.817 -6.108 -3.707 288 2HG LYS 34 1HG LYS 34 -3.287 -5.630 -5.338 289 1HD LYS 34 2HD LYS 34 -4.819 -7.545 -5.445 290 2HD LYS 34 1HD LYS 34 -4.359 -7.996 -3.802 291 1HE LYS 34 2HE LYS 34 -5.097 -5.618 -3.166 292 2HE LYS 34 1HE LYS 34 -5.901 -5.599 -4.736 293 1HZ LYS 34 1HZ LYS 34 -7.166 -6.390 -2.626 294 2HZ LYS 34 2HZ LYS 34 -6.373 -7.855 -2.916 295 3HZ LYS 34 3HZ LYS 34 -7.389 -7.198 -4.097 296 H ARG 35 H ARG 35 0.382 -8.929 -5.680 297 HA ARG 35 HA ARG 35 -0.500 -11.209 -7.129 298 1HB ARG 35 2HB ARG 35 1.369 -9.492 -7.701 299 2HB ARG 35 1HB ARG 35 2.397 -10.527 -6.719 300 1HG ARG 35 2HG ARG 35 0.810 -11.941 -8.740 301 2HG ARG 35 1HG ARG 35 2.005 -10.813 -9.385 302 1HD ARG 35 2HD ARG 35 2.704 -12.823 -7.267 303 2HD ARG 35 1HD ARG 35 2.740 -13.232 -8.981 304 HE ARG 35 HE ARG 35 4.213 -10.891 -8.630 305 1HH1 ARG 35 1HH1 ARG 35 4.401 -14.261 -7.710 306 2HH1 ARG 35 2HH1 ARG 35 6.131 -14.270 -7.644 307 1HH2 ARG 35 1HH2 ARG 35 6.485 -10.912 -8.542 308 2HH2 ARG 35 2HH2 ARG 35 7.312 -12.373 -8.115 309 H ARG 36 H ARG 36 0.939 -10.765 -4.018 310 HA ARG 36 HA ARG 36 1.910 -13.471 -3.786 311 1HB ARG 36 2HB ARG 36 1.863 -11.044 -2.050 312 2HB ARG 36 1HB ARG 36 2.097 -12.609 -1.290 313 1HG ARG 36 2HG ARG 36 3.942 -12.903 -3.109 314 2HG ARG 36 1HG ARG 36 3.864 -11.141 -3.187 315 1HD ARG 36 2HD ARG 36 4.798 -10.877 -1.148 316 2HD ARG 36 1HD ARG 36 3.998 -12.300 -0.481 317 HE ARG 36 HE ARG 36 5.956 -13.114 -2.327 318 1HH1 ARG 36 1HH1 ARG 36 5.701 -11.693 0.860 319 2HH1 ARG 36 2HH1 ARG 36 7.213 -12.339 1.400 320 1HH2 ARG 36 1HH2 ARG 36 7.942 -13.959 -1.609 321 2HH2 ARG 36 2HH2 ARG 36 8.484 -13.623 0.002 322 H SER 37 H SER 37 -1.156 -12.428 -3.908 323 HA SER 37 HA SER 37 -3.153 -13.209 -3.156 324 1HB SER 37 2HB SER 37 -1.907 -15.409 -3.685 325 2HB SER 37 1HB SER 37 -1.702 -15.554 -1.939 326 HG SER 37 HG SER 37 -3.936 -15.924 -3.483 327 H LEU 38 H LEU 38 -1.568 -11.466 -1.501 328 HA LEU 38 HA LEU 38 -2.589 -12.207 1.169 329 1HB LEU 38 2HB LEU 38 -0.021 -12.134 0.659 330 2HB LEU 38 1HB LEU 38 -0.244 -10.402 0.792 331 HG LEU 38 HG LEU 38 -1.302 -10.892 3.078 332 1HD1 LEU 38 1HD1 LEU 38 -1.596 -13.294 2.755 333 2HD1 LEU 38 2HD1 LEU 38 -0.560 -12.957 4.141 334 3HD1 LEU 38 3HD1 LEU 38 0.150 -13.493 2.619 335 1HD2 LEU 38 1HD2 LEU 38 0.942 -11.045 4.132 336 2HD2 LEU 38 2HD2 LEU 38 0.836 -9.817 2.871 337 3HD2 LEU 38 3HD2 LEU 38 1.626 -11.358 2.537 338 H GLY 39 H GLY 39 -3.750 -10.561 -1.111 339 1HA GLY 39 2HA GLY 39 -3.663 -7.825 -0.320 340 2HA GLY 39 1HA GLY 39 -4.830 -8.548 -1.416 341 H HIS 40 H HIS 40 -5.178 -10.458 1.171 342 HA HIS 40 HA HIS 40 -7.473 -8.985 2.106 343 1HB HIS 40 2HB HIS 40 -7.610 -11.425 1.799 344 2HB HIS 40 1HB HIS 40 -6.359 -11.634 3.016 345 HD1 HIS 40 1HD HIS 40 -9.922 -10.408 2.700 346 HD2 HIS 40 2HD HIS 40 -7.260 -11.746 5.598 347 HE1 HIS 40 1HE HIS 40 -11.282 -10.647 4.801 348 HE2 HIS 40 2HE HIS 40 -9.633 -11.382 6.560 349 H ILE 41 H ILE 41 -4.256 -9.799 3.169 350 HA ILE 41 HA ILE 41 -4.433 -9.119 5.877 351 HB ILE 41 HB ILE 41 -2.510 -10.234 4.525 352 1HG1 ILE 41 2HG1 ILE 41 -0.877 -9.653 6.247 353 2HG1 ILE 41 1HG1 ILE 41 -1.854 -8.265 6.719 354 1HG2 ILE 41 1HG2 ILE 41 -2.275 -7.938 3.215 355 2HG2 ILE 41 2HG2 ILE 41 -0.903 -9.007 3.495 356 3HG2 ILE 41 3HG2 ILE 41 -1.152 -7.605 4.532 357 1HD1 ILE 41 1HD1 ILE 41 -3.408 -10.690 6.740 358 2HD1 ILE 41 2HD1 ILE 41 -3.114 -9.527 8.034 359 3HD1 ILE 41 3HD1 ILE 41 -1.970 -10.838 7.748 360 H ILE 42 H ILE 42 -4.143 -7.205 2.993 361 HA ILE 42 HA ILE 42 -3.655 -4.730 4.419 362 HB ILE 42 HB ILE 42 -3.824 -3.706 2.112 363 1HG1 ILE 42 2HG1 ILE 42 -3.815 -6.601 1.240 364 2HG1 ILE 42 1HG1 ILE 42 -5.156 -5.477 1.051 365 1HG2 ILE 42 1HG2 ILE 42 -1.776 -5.826 2.658 366 2HG2 ILE 42 2HG2 ILE 42 -1.692 -4.112 3.069 367 3HG2 ILE 42 3HG2 ILE 42 -1.637 -4.619 1.381 368 1HD1 ILE 42 1HD1 ILE 42 -4.245 -5.333 -1.016 369 2HD1 ILE 42 2HD1 ILE 42 -2.614 -5.682 -0.444 370 3HD1 ILE 42 3HD1 ILE 42 -3.305 -4.076 -0.214 371 H SER 43 H SER 43 -5.068 -2.978 4.488 372 HA SER 43 HA SER 43 -7.827 -3.679 4.635 373 1HB SER 43 2HB SER 43 -6.611 -1.954 6.081 374 2HB SER 43 1HB SER 43 -6.724 -0.868 4.695 375 HG SER 43 HG SER 43 -8.478 -0.584 6.120 376 H VAL 44 H VAL 44 -7.700 -4.426 2.297 377 HA VAL 44 HA VAL 44 -8.447 -2.203 0.513 378 HB VAL 44 HB VAL 44 -7.143 -4.801 -0.307 379 1HG1 VAL 44 1HG1 VAL 44 -8.654 -3.529 -1.937 380 2HG1 VAL 44 2HG1 VAL 44 -7.031 -3.957 -2.478 381 3HG1 VAL 44 3HG1 VAL 44 -7.380 -2.309 -1.954 382 1HG2 VAL 44 1HG2 VAL 44 -5.541 -3.551 0.936 383 2HG2 VAL 44 2HG2 VAL 44 -5.973 -2.062 0.100 384 3HG2 VAL 44 3HG2 VAL 44 -5.164 -3.360 -0.775 385 H SER 45 H SER 45 -10.246 -2.443 -0.753 386 HA SER 45 HA SER 45 -11.823 -4.897 -0.320 387 1HB SER 45 2HB SER 45 -12.693 -2.694 0.683 388 2HB SER 45 1HB SER 45 -13.015 -2.206 -0.981 389 HG SER 45 HG SER 45 -14.861 -3.162 -0.365 390 H SER 46 H SER 46 -11.015 -5.934 -2.148 391 HA SER 46 HA SER 46 -10.826 -4.817 -4.711 392 1HB SER 46 2HB SER 46 -11.409 -7.723 -4.126 393 2HB SER 46 1HB SER 46 -10.560 -7.052 -5.518 394 HG SER 46 HG SER 46 -9.568 -7.785 -3.141 Start of MODEL 13 1 1H MET 1 1HT MET 1 12.093 -5.829 -1.202 2 2H MET 1 2HT MET 1 12.122 -4.132 -1.453 3 3H MET 1 3HT MET 1 13.065 -5.165 -2.446 4 HA MET 1 HA MET 1 10.173 -4.745 -2.400 5 1HB MET 1 2HB MET 1 12.444 -4.155 -4.107 6 2HB MET 1 1HB MET 1 11.211 -5.044 -4.990 7 1HG MET 1 2HG MET 1 10.791 -2.730 -5.284 8 2HG MET 1 1HG MET 1 9.543 -3.369 -4.216 9 1HE MET 1 1HE MET 1 10.497 -2.834 -0.950 10 2HE MET 1 2HE MET 1 9.172 -3.040 -2.096 11 3HE MET 1 3HE MET 1 9.439 -1.475 -1.329 12 H ARG 2 H ARG 2 12.630 -6.921 -3.808 13 HA ARG 2 HA ARG 2 10.616 -8.899 -4.427 14 1HB ARG 2 2HB ARG 2 12.674 -8.358 -5.841 15 2HB ARG 2 1HB ARG 2 13.598 -9.258 -4.646 16 1HG ARG 2 2HG ARG 2 13.196 -10.859 -6.246 17 2HG ARG 2 1HG ARG 2 11.876 -11.144 -5.112 18 1HD ARG 2 2HD ARG 2 10.935 -9.206 -6.911 19 2HD ARG 2 1HD ARG 2 11.774 -10.406 -7.892 20 HE ARG 2 HE ARG 2 10.239 -11.919 -6.269 21 1HH1 ARG 2 1HH1 ARG 2 9.519 -9.198 -8.347 22 2HH1 ARG 2 2HH1 ARG 2 7.900 -9.720 -8.670 23 1HH2 ARG 2 1HH2 ARG 2 8.111 -12.597 -6.699 24 2HH2 ARG 2 2HH2 ARG 2 7.102 -11.646 -7.736 25 H LYS 3 H LYS 3 13.507 -8.777 -2.342 26 HA LYS 3 HA LYS 3 12.615 -11.214 -0.999 27 1HB LYS 3 2HB LYS 3 15.185 -9.643 -0.763 28 2HB LYS 3 1HB LYS 3 14.835 -11.125 0.115 29 1HG LYS 3 2HG LYS 3 14.529 -11.263 -2.811 30 2HG LYS 3 1HG LYS 3 16.173 -11.044 -2.209 31 1HD LYS 3 2HD LYS 3 16.062 -13.324 -2.175 32 2HD LYS 3 1HD LYS 3 15.438 -12.981 -0.560 33 1HE LYS 3 2HE LYS 3 13.175 -13.228 -1.320 34 2HE LYS 3 1HE LYS 3 13.705 -13.368 -2.996 35 1HZ LYS 3 1HZ LYS 3 14.759 -15.288 -1.053 36 2HZ LYS 3 2HZ LYS 3 14.407 -15.497 -2.693 37 3HZ LYS 3 3HZ LYS 3 13.154 -15.473 -1.557 38 H LEU 4 H LEU 4 10.914 -10.526 0.269 39 HA LEU 4 HA LEU 4 11.666 -9.158 2.711 40 1HB LEU 4 2HB LEU 4 9.402 -8.103 1.017 41 2HB LEU 4 1HB LEU 4 9.860 -7.524 2.605 42 HG LEU 4 HG LEU 4 11.620 -7.341 0.159 43 1HD1 LEU 4 1HD1 LEU 4 9.741 -5.361 1.418 44 2HD1 LEU 4 2HD1 LEU 4 9.776 -5.924 -0.252 45 3HD1 LEU 4 3HD1 LEU 4 11.066 -4.886 0.354 46 1HD2 LEU 4 1HD2 LEU 4 12.575 -7.386 2.578 47 2HD2 LEU 4 2HD2 LEU 4 11.922 -5.751 2.670 48 3HD2 LEU 4 3HD2 LEU 4 13.125 -6.151 1.446 49 H SER 5 H SER 5 10.043 -9.343 4.376 50 HA SER 5 HA SER 5 8.466 -11.785 4.080 51 1HB SER 5 2HB SER 5 8.650 -10.311 6.668 52 2HB SER 5 1HB SER 5 8.616 -12.048 6.366 53 HG SER 5 HG SER 5 10.763 -11.878 5.601 54 H ASP 6 H ASP 6 6.266 -11.839 5.012 55 HA ASP 6 HA ASP 6 4.635 -9.845 3.894 56 1HB ASP 6 2HB ASP 6 3.490 -11.330 6.210 57 2HB ASP 6 1HB ASP 6 2.810 -11.013 4.627 58 H GLU 7 H GLU 7 6.199 -10.077 6.980 59 HA GLU 7 HA GLU 7 4.627 -8.026 8.226 60 1HB GLU 7 2HB GLU 7 6.735 -9.843 9.006 61 2HB GLU 7 1HB GLU 7 7.091 -8.220 9.578 62 1HG GLU 7 2HG GLU 7 4.344 -9.218 10.014 63 2HG GLU 7 1HG GLU 7 5.631 -9.964 10.959 64 H LEU 8 H LEU 8 7.629 -8.201 6.450 65 HA LEU 8 HA LEU 8 8.337 -5.454 6.940 66 1HB LEU 8 2HB LEU 8 9.460 -7.691 5.332 67 2HB LEU 8 1HB LEU 8 9.942 -6.050 4.941 68 HG LEU 8 HG LEU 8 11.490 -7.253 6.479 69 1HD1 LEU 8 1HD1 LEU 8 11.781 -5.370 8.013 70 2HD1 LEU 8 2HD1 LEU 8 10.191 -4.762 7.551 71 3HD1 LEU 8 3HD1 LEU 8 11.488 -4.836 6.357 72 1HD2 LEU 8 1HD2 LEU 8 9.637 -6.776 8.737 73 2HD2 LEU 8 2HD2 LEU 8 10.908 -7.983 8.552 74 3HD2 LEU 8 3HD2 LEU 8 9.358 -8.203 7.740 75 H LEU 9 H LEU 9 6.815 -7.318 4.389 76 HA LEU 9 HA LEU 9 6.722 -5.167 2.511 77 1HB LEU 9 2HB LEU 9 6.725 -7.529 1.824 78 2HB LEU 9 1HB LEU 9 5.165 -7.749 2.595 79 HG LEU 9 HG LEU 9 4.258 -6.008 0.993 80 1HD1 LEU 9 1HD1 LEU 9 6.526 -6.594 -0.818 81 2HD1 LEU 9 2HD1 LEU 9 6.791 -5.396 0.450 82 3HD1 LEU 9 3HD1 LEU 9 5.489 -5.171 -0.718 83 1HD2 LEU 9 1HD2 LEU 9 3.789 -8.353 0.682 84 2HD2 LEU 9 2HD2 LEU 9 5.357 -8.602 -0.086 85 3HD2 LEU 9 3HD2 LEU 9 4.130 -7.619 -0.885 86 H ILE 10 H ILE 10 4.370 -6.664 4.698 87 HA ILE 10 HA ILE 10 2.253 -4.951 3.919 88 HB ILE 10 HB ILE 10 2.568 -6.624 6.406 89 1HG1 ILE 10 2HG1 ILE 10 0.812 -7.154 4.023 90 2HG1 ILE 10 1HG1 ILE 10 2.497 -7.661 4.044 91 1HG2 ILE 10 1HG2 ILE 10 0.050 -5.372 5.315 92 2HG2 ILE 10 2HG2 ILE 10 0.950 -4.755 6.701 93 3HG2 ILE 10 3HG2 ILE 10 0.203 -6.351 6.773 94 1HD1 ILE 10 1HD1 ILE 10 2.096 -9.350 5.446 95 2HD1 ILE 10 2HD1 ILE 10 0.443 -9.171 4.874 96 3HD1 ILE 10 3HD1 ILE 10 0.931 -8.430 6.394 97 H GLU 11 H GLU 11 4.764 -4.765 6.349 98 HA GLU 11 HA GLU 11 3.702 -2.621 7.839 99 1HB GLU 11 2HB GLU 11 6.396 -3.816 7.468 100 2HB GLU 11 1HB GLU 11 6.322 -2.206 8.155 101 1HG GLU 11 2HG GLU 11 4.545 -4.267 9.321 102 2HG GLU 11 1HG GLU 11 6.273 -4.397 9.644 103 H SER 12 H SER 12 5.348 -2.800 4.777 104 HA SER 12 HA SER 12 6.018 -0.020 4.629 105 1HB SER 12 2HB SER 12 6.819 -2.196 3.220 106 2HB SER 12 1HB SER 12 5.629 -1.526 2.105 107 HG SER 12 HG SER 12 7.701 -0.653 1.737 108 H TYR 13 H TYR 13 3.411 -2.056 3.362 109 HA TYR 13 HA TYR 13 2.039 0.028 2.015 110 1HB TYR 13 2HB TYR 13 1.674 -2.404 1.592 111 2HB TYR 13 1HB TYR 13 0.884 -2.525 3.159 112 HD1 TYR 13 1HD TYR 13 0.655 -0.783 -0.122 113 HD2 TYR 13 2HD TYR 13 -1.404 -2.099 3.362 114 HE1 TYR 13 1HE TYR 13 -1.487 -0.153 -1.155 115 HE2 TYR 13 2HE TYR 13 -3.550 -1.477 2.337 116 HH TYR 13 HH TYR 13 -4.249 0.285 0.456 117 H PHE 14 H PHE 14 1.859 -1.329 5.258 118 HA PHE 14 HA PHE 14 -0.387 0.204 6.093 119 1HB PHE 14 2HB PHE 14 1.736 -1.326 7.569 120 2HB PHE 14 1HB PHE 14 0.471 -0.456 8.416 121 HD1 PHE 14 1HD PHE 14 0.009 -2.715 9.430 122 HD2 PHE 14 2HD PHE 14 -0.579 -1.918 5.286 123 HE1 PHE 14 1HE PHE 14 -1.440 -4.695 9.254 124 HE2 PHE 14 2HE PHE 14 -2.030 -3.893 5.109 125 HZ PHE 14 HZ PHE 14 -2.461 -5.291 7.090 126 H LYS 15 H LYS 15 3.109 0.559 6.441 127 HA LYS 15 HA LYS 15 3.053 2.920 7.988 128 1HB LYS 15 2HB LYS 15 5.130 1.617 6.250 129 2HB LYS 15 1HB LYS 15 5.429 3.181 6.988 130 1HG LYS 15 2HG LYS 15 4.622 0.764 8.576 131 2HG LYS 15 1HG LYS 15 6.303 1.177 8.235 132 1HD LYS 15 2HD LYS 15 6.139 2.300 10.187 133 2HD LYS 15 1HD LYS 15 5.411 3.543 9.168 134 1HE LYS 15 2HE LYS 15 3.336 3.200 10.000 135 2HE LYS 15 1HE LYS 15 3.580 1.463 10.177 136 1HZ LYS 15 1HZ LYS 15 5.030 2.001 12.118 137 2HZ LYS 15 2HZ LYS 15 3.397 2.381 12.336 138 3HZ LYS 15 3HZ LYS 15 4.511 3.608 12.001 139 H ALA 16 H ALA 16 3.437 2.355 4.509 140 HA ALA 16 HA ALA 16 3.704 5.024 3.729 141 1HB ALA 16 1HB ALA 16 2.630 2.655 2.210 142 2HB ALA 16 2HB ALA 16 4.286 3.261 2.216 143 3HB ALA 16 3HB ALA 16 3.000 4.218 1.483 144 H THR 17 H THR 17 0.818 3.100 4.352 145 HA THR 17 HA THR 17 -0.994 4.979 3.218 146 HB THR 17 HB THR 17 -2.717 3.748 4.565 147 HG1 THR 17 1HG THR 17 -2.122 2.413 6.063 148 1HG2 THR 17 1HG2 THR 17 -1.016 2.603 2.519 149 2HG2 THR 17 2HG2 THR 17 -2.769 2.551 2.701 150 3HG2 THR 17 3HG2 THR 17 -1.759 1.382 3.552 151 H GLU 18 H GLU 18 0.503 4.589 6.352 152 HA GLU 18 HA GLU 18 -1.166 6.507 7.673 153 1HB GLU 18 2HB GLU 18 1.052 4.744 8.387 154 2HB GLU 18 1HB GLU 18 1.111 6.294 9.214 155 1HG GLU 18 2HG GLU 18 -0.818 5.906 10.375 156 2HG GLU 18 1HG GLU 18 -1.464 4.810 9.155 157 H MET 19 H MET 19 2.138 6.535 6.406 158 HA MET 19 HA MET 19 2.477 9.331 7.021 159 1HB MET 19 2HB MET 19 4.689 9.067 6.187 160 2HB MET 19 1HB MET 19 4.316 7.661 7.162 161 1HG MET 19 2HG MET 19 4.005 6.318 5.210 162 2HG MET 19 1HG MET 19 4.147 7.726 4.162 163 1HE MET 19 1HE MET 19 5.602 4.843 4.266 164 2HE MET 19 2HE MET 19 6.146 4.843 5.942 165 3HE MET 19 3HE MET 19 7.325 4.912 4.632 166 H ASN 20 H ASN 20 1.050 7.651 4.490 167 HA ASN 20 HA ASN 20 0.225 8.264 2.474 168 1HB ASN 20 2HB ASN 20 0.856 10.936 3.653 169 2HB ASN 20 1HB ASN 20 0.462 10.840 1.942 170 1HD2 ASN 20 1HD2 ASN 20 -0.698 10.349 5.188 171 2HD2 ASN 20 2HD2 ASN 20 -2.378 10.296 4.792 172 H LEU 21 H LEU 21 2.749 7.191 2.617 173 HA LEU 21 HA LEU 21 4.798 8.539 1.289 174 1HB LEU 21 2HB LEU 21 4.692 6.204 2.483 175 2HB LEU 21 1HB LEU 21 4.333 5.609 0.875 176 HG LEU 21 HG LEU 21 6.754 7.309 1.316 177 1HD1 LEU 21 1HD1 LEU 21 7.496 5.846 2.834 178 2HD1 LEU 21 2HD1 LEU 21 7.758 4.789 1.449 179 3HD1 LEU 21 3HD1 LEU 21 6.288 4.634 2.409 180 1HD2 LEU 21 1HD2 LEU 21 5.611 5.815 -0.843 181 2HD2 LEU 21 2HD2 LEU 21 7.184 5.132 -0.436 182 3HD2 LEU 21 3HD2 LEU 21 7.045 6.842 -0.838 183 H ASN 22 H ASN 22 5.579 8.194 -0.936 184 HA ASN 22 HA ASN 22 3.934 9.025 -2.913 185 1HB ASN 22 2HB ASN 22 6.487 8.588 -2.932 186 2HB ASN 22 1HB ASN 22 6.056 7.005 -3.571 187 1HD2 ASN 22 1HD2 ASN 22 7.415 7.920 -5.352 188 2HD2 ASN 22 2HD2 ASN 22 6.597 8.804 -6.591 189 H ARG 23 H ARG 23 2.484 8.229 -4.333 190 HA ARG 23 HA ARG 23 1.004 5.962 -3.751 191 1HB ARG 23 2HB ARG 23 0.310 7.923 -5.171 192 2HB ARG 23 1HB ARG 23 1.234 7.211 -6.486 193 1HG ARG 23 2HG ARG 23 -0.464 5.903 -7.029 194 2HG ARG 23 1HG ARG 23 -0.507 5.226 -5.400 195 1HD ARG 23 2HD ARG 23 -1.885 7.146 -4.678 196 2HD ARG 23 1HD ARG 23 -1.887 7.742 -6.338 197 HE ARG 23 HE ARG 23 -3.533 6.243 -6.809 198 1HH1 ARG 23 1HH1 ARG 23 -1.868 5.135 -3.939 199 2HH1 ARG 23 2HH1 ARG 23 -2.955 3.813 -3.673 200 1HH2 ARG 23 1HH2 ARG 23 -4.957 4.507 -6.451 201 2HH2 ARG 23 2HH2 ARG 23 -4.705 3.457 -5.097 202 H ASP 24 H ASP 24 3.859 6.271 -5.734 203 HA ASP 24 HA ASP 24 3.576 3.839 -7.138 204 1HB ASP 24 2HB ASP 24 5.906 5.632 -6.529 205 2HB ASP 24 1HB ASP 24 6.166 4.077 -7.313 206 H PHE 25 H PHE 25 4.937 4.633 -4.005 207 HA PHE 25 HA PHE 25 6.107 2.059 -3.570 208 1HB PHE 25 2HB PHE 25 6.631 4.364 -2.422 209 2HB PHE 25 1HB PHE 25 5.326 3.902 -1.336 210 HD1 PHE 25 1HD PHE 25 6.291 3.342 0.680 211 HD2 PHE 25 2HD PHE 25 8.011 1.869 -2.924 212 HE1 PHE 25 1HE PHE 25 7.869 1.984 1.992 213 HE2 PHE 25 2HE PHE 25 9.590 0.507 -1.618 214 HZ PHE 25 HZ PHE 25 9.520 0.563 0.843 215 H ILE 26 H ILE 26 3.150 3.710 -2.580 216 HA ILE 26 HA ILE 26 2.080 1.658 -0.988 217 HB ILE 26 HB ILE 26 0.717 3.851 -2.561 218 1HG1 ILE 26 2HG1 ILE 26 1.473 3.586 0.358 219 2HG1 ILE 26 1HG1 ILE 26 2.211 4.664 -0.823 220 1HG2 ILE 26 1HG2 ILE 26 -0.448 1.986 -0.489 221 2HG2 ILE 26 2HG2 ILE 26 -0.924 2.127 -2.181 222 3HG2 ILE 26 3HG2 ILE 26 -1.236 3.454 -1.064 223 1HD1 ILE 26 1HD1 ILE 26 -0.432 4.862 0.536 224 2HD1 ILE 26 2HD1 ILE 26 -0.204 5.614 -1.043 225 3HD1 ILE 26 3HD1 ILE 26 0.818 6.087 0.315 226 H GLU 27 H GLU 27 1.760 2.384 -4.448 227 HA GLU 27 HA GLU 27 -0.022 0.209 -4.950 228 1HB GLU 27 2HB GLU 27 0.631 2.442 -6.339 229 2HB GLU 27 1HB GLU 27 1.611 1.254 -7.184 230 1HG GLU 27 2HG GLU 27 -0.205 0.873 -8.406 231 2HG GLU 27 1HG GLU 27 -0.802 -0.014 -7.003 232 H LEU 28 H LEU 28 3.430 0.692 -5.027 233 HA LEU 28 HA LEU 28 4.108 -1.702 -6.382 234 1HB LEU 28 2HB LEU 28 5.778 -0.067 -6.371 235 2HB LEU 28 1HB LEU 28 5.565 0.281 -4.669 236 HG LEU 28 HG LEU 28 6.675 -2.377 -5.477 237 1HD1 LEU 28 1HD1 LEU 28 8.954 -1.227 -5.215 238 2HD1 LEU 28 2HD1 LEU 28 8.086 0.267 -5.566 239 3HD1 LEU 28 3HD1 LEU 28 8.105 -1.040 -6.749 240 1HD2 LEU 28 1HD2 LEU 28 6.716 -0.578 -3.096 241 2HD2 LEU 28 2HD2 LEU 28 8.023 -1.738 -3.334 242 3HD2 LEU 28 3HD2 LEU 28 6.358 -2.302 -3.195 243 H ILE 29 H ILE 29 3.896 -0.837 -2.947 244 HA ILE 29 HA ILE 29 4.637 -3.411 -1.999 245 HB ILE 29 HB ILE 29 3.012 -1.320 -0.542 246 1HG1 ILE 29 2HG1 ILE 29 5.922 -1.605 -0.050 247 2HG1 ILE 29 1HG1 ILE 29 5.464 -0.852 -1.572 248 1HG2 ILE 29 1HG2 ILE 29 3.945 -2.384 1.468 249 2HG2 ILE 29 2HG2 ILE 29 4.716 -3.599 0.449 250 3HG2 ILE 29 3HG2 ILE 29 2.958 -3.494 0.520 251 1HD1 ILE 29 1HD1 ILE 29 3.873 0.373 0.361 252 2HD1 ILE 29 2HD1 ILE 29 5.270 1.055 -0.471 253 3HD1 ILE 29 3HD1 ILE 29 5.478 0.242 1.080 254 H GLU 30 H GLU 30 1.631 -1.898 -2.938 255 HA GLU 30 HA GLU 30 -0.049 -3.966 -1.866 256 1HB GLU 30 2HB GLU 30 -0.683 -1.515 -2.373 257 2HB GLU 30 1HB GLU 30 -0.843 -2.045 -4.041 258 1HG GLU 30 2HG GLU 30 -2.303 -3.921 -2.690 259 2HG GLU 30 1HG GLU 30 -2.612 -2.455 -1.762 260 H ASN 31 H ASN 31 1.529 -3.268 -4.905 261 HA ASN 31 HA ASN 31 0.132 -5.190 -6.463 262 1HB ASN 31 2HB ASN 31 2.617 -3.562 -6.796 263 2HB ASN 31 1HB ASN 31 2.349 -4.917 -7.887 264 1HD2 ASN 31 1HD2 ASN 31 2.492 -2.562 -9.041 265 2HD2 ASN 31 2HD2 ASN 31 0.938 -1.981 -9.525 266 H GLU 32 H GLU 32 2.861 -5.341 -4.308 267 HA GLU 32 HA GLU 32 3.739 -7.931 -5.238 268 1HB GLU 32 2HB GLU 32 5.216 -6.142 -4.144 269 2HB GLU 32 1HB GLU 32 4.480 -6.624 -2.621 270 1HG GLU 32 2HG GLU 32 6.428 -7.855 -2.661 271 2HG GLU 32 1HG GLU 32 5.235 -9.002 -3.269 272 H ILE 33 H ILE 33 2.055 -6.598 -2.444 273 HA ILE 33 HA ILE 33 1.575 -9.054 -1.126 274 HB ILE 33 HB ILE 33 0.021 -6.458 -1.001 275 1HG1 ILE 33 2HG1 ILE 33 2.057 -7.408 0.996 276 2HG1 ILE 33 1HG1 ILE 33 2.541 -6.500 -0.433 277 1HG2 ILE 33 1HG2 ILE 33 -1.044 -7.199 0.926 278 2HG2 ILE 33 2HG2 ILE 33 0.135 -8.479 1.207 279 3HG2 ILE 33 3HG2 ILE 33 -1.049 -8.640 -0.087 280 1HD1 ILE 33 1HD1 ILE 33 2.271 -5.095 1.565 281 2HD1 ILE 33 2HD1 ILE 33 0.566 -5.543 1.624 282 3HD1 ILE 33 3HD1 ILE 33 1.191 -4.629 0.251 283 H LYS 34 H LYS 34 -0.071 -7.284 -3.672 284 HA LYS 34 HA LYS 34 -2.482 -8.793 -3.616 285 1HB LYS 34 2HB LYS 34 -1.207 -6.854 -5.485 286 2HB LYS 34 1HB LYS 34 -2.487 -7.880 -6.118 287 1HG LYS 34 2HG LYS 34 -3.120 -6.614 -3.556 288 2HG LYS 34 1HG LYS 34 -2.864 -5.484 -4.885 289 1HD LYS 34 2HD LYS 34 -4.580 -6.485 -6.183 290 2HD LYS 34 1HD LYS 34 -4.685 -7.872 -5.095 291 1HE LYS 34 2HE LYS 34 -5.504 -6.404 -3.313 292 2HE LYS 34 1HE LYS 34 -5.404 -5.024 -4.406 293 1HZ LYS 34 1HZ LYS 34 -7.128 -7.409 -4.814 294 2HZ LYS 34 2HZ LYS 34 -7.055 -6.053 -5.822 295 3HZ LYS 34 3HZ LYS 34 -7.658 -5.904 -4.250 296 H ARG 35 H ARG 35 0.497 -8.974 -5.524 297 HA ARG 35 HA ARG 35 -0.332 -11.230 -7.059 298 1HB ARG 35 2HB ARG 35 1.525 -9.509 -7.582 299 2HB ARG 35 1HB ARG 35 2.535 -10.491 -6.531 300 1HG ARG 35 2HG ARG 35 2.651 -12.209 -8.011 301 2HG ARG 35 1HG ARG 35 1.056 -11.880 -8.689 302 1HD ARG 35 2HD ARG 35 2.385 -9.643 -9.425 303 2HD ARG 35 1HD ARG 35 3.697 -10.820 -9.446 304 HE ARG 35 HE ARG 35 1.469 -10.665 -11.260 305 1HH1 ARG 35 1HH1 ARG 35 3.933 -12.756 -9.917 306 2HH1 ARG 35 2HH1 ARG 35 3.900 -13.853 -11.256 307 1HH2 ARG 35 1HH2 ARG 35 1.434 -12.112 -13.014 308 2HH2 ARG 35 2HH2 ARG 35 2.485 -13.489 -13.010 309 H ARG 36 H ARG 36 1.053 -10.790 -3.915 310 HA ARG 36 HA ARG 36 2.007 -13.498 -3.658 311 1HB ARG 36 2HB ARG 36 1.910 -11.074 -1.916 312 2HB ARG 36 1HB ARG 36 2.124 -12.640 -1.156 313 1HG ARG 36 2HG ARG 36 4.114 -13.040 -2.504 314 2HG ARG 36 1HG ARG 36 3.890 -11.481 -3.302 315 1HD ARG 36 2HD ARG 36 4.797 -10.357 -1.593 316 2HD ARG 36 1HD ARG 36 3.906 -11.290 -0.391 317 HE ARG 36 HE ARG 36 6.095 -12.716 -1.600 318 1HH1 ARG 36 1HH1 ARG 36 5.158 -10.558 0.990 319 2HH1 ARG 36 2HH1 ARG 36 6.491 -11.000 2.001 320 1HH2 ARG 36 1HH2 ARG 36 7.843 -13.291 -0.264 321 2HH2 ARG 36 2HH2 ARG 36 8.013 -12.547 1.291 322 H SER 37 H SER 37 -1.060 -12.423 -3.829 323 HA SER 37 HA SER 37 -3.076 -13.199 -3.122 324 1HB SER 37 2HB SER 37 -2.179 -15.391 -3.756 325 2HB SER 37 1HB SER 37 -1.420 -15.551 -2.172 326 HG SER 37 HG SER 37 -4.150 -15.628 -2.851 327 H LEU 38 H LEU 38 -1.558 -11.470 -1.433 328 HA LEU 38 HA LEU 38 -2.571 -12.275 1.221 329 1HB LEU 38 2HB LEU 38 -0.007 -12.128 0.743 330 2HB LEU 38 1HB LEU 38 -0.274 -10.401 0.882 331 HG LEU 38 HG LEU 38 -1.312 -10.881 3.151 332 1HD1 LEU 38 1HD1 LEU 38 0.155 -13.490 2.878 333 2HD1 LEU 38 2HD1 LEU 38 -1.588 -13.334 2.659 334 3HD1 LEU 38 3HD1 LEU 38 -0.856 -12.944 4.216 335 1HD2 LEU 38 1HD2 LEU 38 1.602 -11.517 2.726 336 2HD2 LEU 38 2HD2 LEU 38 0.863 -11.014 4.245 337 3HD2 LEU 38 3HD2 LEU 38 0.903 -9.904 2.876 338 H GLY 39 H GLY 39 -3.617 -10.479 -1.125 339 1HA GLY 39 2HA GLY 39 -3.629 -7.818 -0.247 340 2HA GLY 39 1HA GLY 39 -4.856 -8.536 -1.270 341 H HIS 40 H HIS 40 -5.412 -10.581 0.889 342 HA HIS 40 HA HIS 40 -7.557 -9.264 2.128 343 1HB HIS 40 2HB HIS 40 -7.273 -11.761 1.764 344 2HB HIS 40 1HB HIS 40 -6.232 -11.743 3.179 345 HD1 HIS 40 1HD HIS 40 -9.751 -11.848 2.161 346 HD2 HIS 40 2HD HIS 40 -7.602 -11.033 5.622 347 HE1 HIS 40 1HE HIS 40 -11.424 -11.967 4.034 348 HE2 HIS 40 2HE HIS 40 -10.079 -11.578 6.128 349 H ILE 41 H ILE 41 -4.217 -9.589 2.998 350 HA ILE 41 HA ILE 41 -4.492 -8.957 5.759 351 HB ILE 41 HB ILE 41 -2.538 -10.119 4.513 352 1HG1 ILE 41 2HG1 ILE 41 -0.949 -9.454 6.253 353 2HG1 ILE 41 1HG1 ILE 41 -1.956 -8.065 6.647 354 1HG2 ILE 41 1HG2 ILE 41 -1.142 -7.521 4.456 355 2HG2 ILE 41 2HG2 ILE 41 -2.269 -7.846 3.139 356 3HG2 ILE 41 3HG2 ILE 41 -0.930 -8.950 3.445 357 1HD1 ILE 41 1HD1 ILE 41 -3.226 -9.299 7.976 358 2HD1 ILE 41 2HD1 ILE 41 -2.075 -10.615 7.746 359 3HD1 ILE 41 3HD1 ILE 41 -3.494 -10.492 6.705 360 H ILE 42 H ILE 42 -4.152 -7.110 2.828 361 HA ILE 42 HA ILE 42 -3.765 -4.600 4.272 362 HB ILE 42 HB ILE 42 -3.685 -3.614 1.939 363 1HG1 ILE 42 2HG1 ILE 42 -3.468 -6.498 1.114 364 2HG1 ILE 42 1HG1 ILE 42 -4.902 -5.513 0.879 365 1HG2 ILE 42 1HG2 ILE 42 -1.656 -4.064 3.158 366 2HG2 ILE 42 2HG2 ILE 42 -1.439 -4.453 1.451 367 3HG2 ILE 42 3HG2 ILE 42 -1.684 -5.746 2.627 368 1HD1 ILE 42 1HD1 ILE 42 -3.760 -5.508 -1.173 369 2HD1 ILE 42 2HD1 ILE 42 -2.207 -5.207 -0.394 370 3HD1 ILE 42 3HD1 ILE 42 -3.431 -3.938 -0.441 371 H SER 43 H SER 43 -5.127 -2.757 3.827 372 HA SER 43 HA SER 43 -7.930 -3.527 3.556 373 1HB SER 43 2HB SER 43 -7.293 -2.105 5.473 374 2HB SER 43 1HB SER 43 -6.702 -0.873 4.359 375 HG SER 43 HG SER 43 -8.807 -0.610 3.601 376 H VAL 44 H VAL 44 -7.576 -3.962 1.252 377 HA VAL 44 HA VAL 44 -6.959 -1.803 -0.528 378 HB VAL 44 HB VAL 44 -8.417 -4.212 -1.529 379 1HG1 VAL 44 1HG1 VAL 44 -6.074 -2.595 -2.505 380 2HG1 VAL 44 2HG1 VAL 44 -7.728 -2.547 -3.115 381 3HG1 VAL 44 3HG1 VAL 44 -6.746 -3.995 -3.340 382 1HG2 VAL 44 1HG2 VAL 44 -6.182 -5.404 -1.632 383 2HG2 VAL 44 2HG2 VAL 44 -6.963 -5.339 -0.051 384 3HG2 VAL 44 3HG2 VAL 44 -5.629 -4.248 -0.422 385 H SER 45 H SER 45 -8.288 -0.347 -1.414 386 HA SER 45 HA SER 45 -11.015 -0.211 -0.573 387 1HB SER 45 2HB SER 45 -11.106 1.819 -2.001 388 2HB SER 45 1HB SER 45 -9.731 1.836 -0.896 389 HG SER 45 HG SER 45 -9.532 2.295 -3.358 390 H SER 46 H SER 46 -12.057 -2.034 -1.371 391 HA SER 46 HA SER 46 -12.987 -1.799 -4.090 392 1HB SER 46 2HB SER 46 -12.339 -4.065 -4.776 393 2HB SER 46 1HB SER 46 -10.914 -3.093 -4.409 394 HG SER 46 HG SER 46 -10.609 -5.012 -3.385 Start of MODEL 14 1 1H MET 1 1HT MET 1 12.233 -5.398 -1.752 2 2H MET 1 2HT MET 1 12.203 -4.665 -3.305 3 3H MET 1 3HT MET 1 12.223 -6.375 -3.159 4 HA MET 1 HA MET 1 10.072 -4.641 -2.151 5 1HB MET 1 2HB MET 1 10.709 -5.025 -4.778 6 2HB MET 1 1HB MET 1 9.616 -6.372 -4.497 7 1HG MET 1 2HG MET 1 9.032 -3.453 -4.072 8 2HG MET 1 1HG MET 1 8.383 -4.495 -5.337 9 1HE MET 1 1HE MET 1 6.827 -3.366 -1.493 10 2HE MET 1 2HE MET 1 8.505 -3.226 -2.015 11 3HE MET 1 3HE MET 1 8.013 -4.565 -0.979 12 H ARG 2 H ARG 2 10.564 -7.871 -3.582 13 HA ARG 2 HA ARG 2 8.692 -9.031 -1.712 14 1HB ARG 2 2HB ARG 2 9.005 -11.088 -2.971 15 2HB ARG 2 1HB ARG 2 8.721 -9.741 -4.064 16 1HG ARG 2 2HG ARG 2 11.547 -10.188 -3.534 17 2HG ARG 2 1HG ARG 2 10.749 -11.589 -4.250 18 1HD ARG 2 2HD ARG 2 10.402 -8.830 -5.381 19 2HD ARG 2 1HD ARG 2 11.774 -9.843 -5.828 20 HE ARG 2 HE ARG 2 9.569 -11.421 -6.216 21 1HH1 ARG 2 1HH1 ARG 2 10.639 -8.319 -7.428 22 2HH1 ARG 2 2HH1 ARG 2 9.828 -8.498 -8.946 23 1HH2 ARG 2 1HH2 ARG 2 8.508 -11.649 -8.213 24 2HH2 ARG 2 2HH2 ARG 2 8.620 -10.384 -9.392 25 H LYS 3 H LYS 3 12.130 -8.711 -1.982 26 HA LYS 3 HA LYS 3 13.085 -10.907 -0.619 27 1HB LYS 3 2HB LYS 3 14.260 -8.766 -1.664 28 2HB LYS 3 1HB LYS 3 14.278 -8.253 0.019 29 1HG LYS 3 2HG LYS 3 15.493 -10.270 0.638 30 2HG LYS 3 1HG LYS 3 15.450 -10.817 -1.040 31 1HD LYS 3 2HD LYS 3 16.579 -8.516 -1.524 32 2HD LYS 3 1HD LYS 3 17.002 -8.577 0.188 33 1HE LYS 3 2HE LYS 3 18.420 -10.349 -0.082 34 2HE LYS 3 1HE LYS 3 17.531 -10.988 -1.465 35 1HZ LYS 3 1HZ LYS 3 18.405 -9.083 -2.765 36 2HZ LYS 3 2HZ LYS 3 19.607 -10.144 -2.228 37 3HZ LYS 3 3HZ LYS 3 19.376 -8.663 -1.445 38 H LEU 4 H LEU 4 11.309 -8.200 0.645 39 HA LEU 4 HA LEU 4 12.003 -8.786 3.399 40 1HB LEU 4 2HB LEU 4 9.775 -6.958 2.596 41 2HB LEU 4 1HB LEU 4 10.837 -6.861 3.987 42 HG LEU 4 HG LEU 4 11.557 -6.202 1.130 43 1HD1 LEU 4 1HD1 LEU 4 11.968 -3.946 2.155 44 2HD1 LEU 4 2HD1 LEU 4 11.157 -4.538 3.605 45 3HD1 LEU 4 3HD1 LEU 4 10.278 -4.444 2.079 46 1HD2 LEU 4 1HD2 LEU 4 13.420 -7.287 2.314 47 2HD2 LEU 4 2HD2 LEU 4 13.284 -6.088 3.600 48 3HD2 LEU 4 3HD2 LEU 4 13.744 -5.588 1.973 49 H SER 5 H SER 5 10.601 -9.581 4.963 50 HA SER 5 HA SER 5 8.807 -11.599 4.148 51 1HB SER 5 2HB SER 5 9.198 -10.281 6.840 52 2HB SER 5 1HB SER 5 8.208 -11.715 6.572 53 HG SER 5 HG SER 5 10.204 -12.433 7.175 54 H ASP 6 H ASP 6 6.501 -11.729 4.871 55 HA ASP 6 HA ASP 6 4.992 -9.681 3.691 56 1HB ASP 6 2HB ASP 6 3.693 -11.369 5.799 57 2HB ASP 6 1HB ASP 6 3.080 -10.864 4.233 58 H GLU 7 H GLU 7 6.268 -10.020 6.890 59 HA GLU 7 HA GLU 7 4.531 -8.122 8.138 60 1HB GLU 7 2HB GLU 7 6.918 -9.677 8.889 61 2HB GLU 7 1HB GLU 7 6.780 -8.120 9.692 62 1HG GLU 7 2HG GLU 7 4.307 -9.682 9.662 63 2HG GLU 7 1HG GLU 7 5.637 -10.431 10.543 64 H LEU 8 H LEU 8 7.703 -8.029 6.642 65 HA LEU 8 HA LEU 8 8.105 -5.232 7.182 66 1HB LEU 8 2HB LEU 8 9.582 -7.351 5.702 67 2HB LEU 8 1HB LEU 8 9.956 -5.671 5.361 68 HG LEU 8 HG LEU 8 11.448 -6.703 7.047 69 1HD1 LEU 8 1HD1 LEU 8 11.660 -4.778 8.255 70 2HD1 LEU 8 2HD1 LEU 8 9.921 -4.606 8.490 71 3HD1 LEU 8 3HD1 LEU 8 10.643 -4.208 6.932 72 1HD2 LEU 8 1HD2 LEU 8 10.742 -7.559 9.037 73 2HD2 LEU 8 2HD2 LEU 8 9.348 -7.968 8.037 74 3HD2 LEU 8 3HD2 LEU 8 9.298 -6.548 9.082 75 H LEU 9 H LEU 9 6.894 -7.206 4.565 76 HA LEU 9 HA LEU 9 6.841 -5.104 2.625 77 1HB LEU 9 2HB LEU 9 6.989 -7.385 1.871 78 2HB LEU 9 1HB LEU 9 5.526 -7.816 2.736 79 HG LEU 9 HG LEU 9 4.346 -6.129 1.179 80 1HD1 LEU 9 1HD1 LEU 9 6.832 -6.648 -0.444 81 2HD1 LEU 9 2HD1 LEU 9 6.421 -5.113 0.321 82 3HD1 LEU 9 3HD1 LEU 9 5.400 -5.759 -0.963 83 1HD2 LEU 9 1HD2 LEU 9 4.062 -8.568 1.090 84 2HD2 LEU 9 2HD2 LEU 9 5.471 -8.685 0.037 85 3HD2 LEU 9 3HD2 LEU 9 4.024 -7.840 -0.515 86 H ILE 10 H ILE 10 4.407 -6.684 4.663 87 HA ILE 10 HA ILE 10 2.280 -5.061 3.758 88 HB ILE 10 HB ILE 10 2.535 -6.687 6.281 89 1HG1 ILE 10 2HG1 ILE 10 0.835 -7.312 3.892 90 2HG1 ILE 10 1HG1 ILE 10 2.549 -7.719 3.895 91 1HG2 ILE 10 1HG2 ILE 10 0.832 -5.217 6.852 92 2HG2 ILE 10 2HG2 ILE 10 -0.054 -6.554 6.117 93 3HG2 ILE 10 3HG2 ILE 10 0.252 -5.084 5.191 94 1HD1 ILE 10 1HD1 ILE 10 2.262 -9.423 5.293 95 2HD1 ILE 10 2HD1 ILE 10 0.581 -9.324 4.784 96 3HD1 ILE 10 3HD1 ILE 10 1.093 -8.553 6.281 97 H GLU 11 H GLU 11 4.515 -4.827 6.477 98 HA GLU 11 HA GLU 11 3.321 -2.642 7.769 99 1HB GLU 11 2HB GLU 11 6.101 -3.714 7.651 100 2HB GLU 11 1HB GLU 11 5.827 -2.154 8.388 101 1HG GLU 11 2HG GLU 11 4.315 -3.128 9.994 102 2HG GLU 11 1HG GLU 11 4.454 -4.701 9.209 103 H SER 12 H SER 12 5.298 -2.879 4.907 104 HA SER 12 HA SER 12 5.989 -0.127 4.719 105 1HB SER 12 2HB SER 12 6.812 -2.328 3.390 106 2HB SER 12 1HB SER 12 5.663 -1.693 2.213 107 HG SER 12 HG SER 12 8.083 -0.641 3.092 108 H TYR 13 H TYR 13 3.401 -2.104 3.331 109 HA TYR 13 HA TYR 13 2.139 -0.037 1.877 110 1HB TYR 13 2HB TYR 13 1.696 -2.430 1.485 111 2HB TYR 13 1HB TYR 13 0.943 -2.551 3.069 112 HD1 TYR 13 1HD TYR 13 0.647 -0.583 -0.091 113 HD2 TYR 13 2HD TYR 13 -1.355 -2.378 3.205 114 HE1 TYR 13 1HE TYR 13 -1.518 0.034 -1.080 115 HE2 TYR 13 2HE TYR 13 -3.527 -1.768 2.226 116 HH TYR 13 HH TYR 13 -4.248 -1.250 -0.476 117 H PHE 14 H PHE 14 1.743 -1.279 5.139 118 HA PHE 14 HA PHE 14 -0.488 0.330 5.834 119 1HB PHE 14 2HB PHE 14 1.537 -1.156 7.489 120 2HB PHE 14 1HB PHE 14 0.166 -0.322 8.190 121 HD1 PHE 14 1HD PHE 14 -0.100 -2.713 9.147 122 HD2 PHE 14 2HD PHE 14 -0.733 -1.736 5.050 123 HE1 PHE 14 1HE PHE 14 -1.452 -4.749 8.870 124 HE2 PHE 14 2HE PHE 14 -2.083 -3.768 4.771 125 HZ PHE 14 HZ PHE 14 -2.444 -5.285 6.679 126 H LYS 15 H LYS 15 2.981 0.595 6.533 127 HA LYS 15 HA LYS 15 2.888 2.968 8.017 128 1HB LYS 15 2HB LYS 15 4.995 1.494 6.518 129 2HB LYS 15 1HB LYS 15 5.327 3.163 6.928 130 1HG LYS 15 2HG LYS 15 6.240 1.661 8.597 131 2HG LYS 15 1HG LYS 15 4.978 2.670 9.288 132 1HD LYS 15 2HD LYS 15 3.540 0.504 8.521 133 2HD LYS 15 1HD LYS 15 5.084 -0.241 8.927 134 1HE LYS 15 2HE LYS 15 4.168 1.742 10.875 135 2HE LYS 15 1HE LYS 15 3.089 0.358 10.703 136 1HZ LYS 15 1HZ LYS 15 4.705 -0.097 12.393 137 2HZ LYS 15 2HZ LYS 15 5.985 0.269 11.351 138 3HZ LYS 15 3HZ LYS 15 5.027 -1.094 11.064 139 H ALA 16 H ALA 16 3.346 2.417 4.553 140 HA ALA 16 HA ALA 16 3.758 5.081 3.807 141 1HB ALA 16 1HB ALA 16 3.029 4.292 1.530 142 2HB ALA 16 2HB ALA 16 2.712 2.722 2.268 143 3HB ALA 16 3HB ALA 16 4.347 3.385 2.269 144 H THR 17 H THR 17 0.766 3.253 4.212 145 HA THR 17 HA THR 17 -0.913 5.217 3.046 146 HB THR 17 HB THR 17 -2.753 4.020 4.172 147 HG1 THR 17 1HG THR 17 -2.233 2.232 5.476 148 1HG2 THR 17 1HG2 THR 17 -0.764 2.667 2.513 149 2HG2 THR 17 2HG2 THR 17 -2.514 2.786 2.331 150 3HG2 THR 17 3HG2 THR 17 -1.820 1.592 3.428 151 H GLU 18 H GLU 18 0.410 4.753 6.245 152 HA GLU 18 HA GLU 18 -1.276 6.705 7.493 153 1HB GLU 18 2HB GLU 18 0.833 4.859 8.315 154 2HB GLU 18 1HB GLU 18 0.894 6.395 9.167 155 1HG GLU 18 2HG GLU 18 -1.645 5.999 9.528 156 2HG GLU 18 1HG GLU 18 -1.251 4.322 9.153 157 H MET 19 H MET 19 2.097 6.644 6.417 158 HA MET 19 HA MET 19 2.510 9.401 7.125 159 1HB MET 19 2HB MET 19 4.737 9.091 6.326 160 2HB MET 19 1HB MET 19 4.290 7.660 7.233 161 1HG MET 19 2HG MET 19 4.013 6.394 5.252 162 2HG MET 19 1HG MET 19 4.137 7.828 4.239 163 1HE MET 19 1HE MET 19 6.450 5.059 6.219 164 2HE MET 19 2HE MET 19 7.235 4.957 4.643 165 3HE MET 19 3HE MET 19 5.478 4.870 4.760 166 H ASN 20 H ASN 20 1.224 7.783 4.419 167 HA ASN 20 HA ASN 20 0.354 8.570 2.469 168 1HB ASN 20 2HB ASN 20 1.514 11.291 3.037 169 2HB ASN 20 1HB ASN 20 0.133 10.886 2.026 170 1HD2 ASN 20 1HD2 ASN 20 1.163 11.860 5.073 171 2HD2 ASN 20 2HD2 ASN 20 -0.341 11.710 5.909 172 H LEU 21 H LEU 21 2.873 7.356 2.707 173 HA LEU 21 HA LEU 21 4.976 8.565 1.338 174 1HB LEU 21 2HB LEU 21 4.749 6.279 2.609 175 2HB LEU 21 1HB LEU 21 4.385 5.648 1.018 176 HG LEU 21 HG LEU 21 6.884 7.232 1.488 177 1HD1 LEU 21 1HD1 LEU 21 6.247 4.728 2.729 178 2HD1 LEU 21 2HD1 LEU 21 7.713 5.699 2.852 179 3HD1 LEU 21 3HD1 LEU 21 7.552 4.505 1.565 180 1HD2 LEU 21 1HD2 LEU 21 7.241 5.071 -0.289 181 2HD2 LEU 21 2HD2 LEU 21 7.168 6.789 -0.674 182 3HD2 LEU 21 3HD2 LEU 21 5.698 5.816 -0.708 183 H ASN 22 H ASN 22 5.739 8.169 -0.868 184 HA ASN 22 HA ASN 22 4.110 8.975 -2.874 185 1HB ASN 22 2HB ASN 22 6.658 8.508 -2.871 186 2HB ASN 22 1HB ASN 22 6.211 6.913 -3.468 187 1HD2 ASN 22 1HD2 ASN 22 6.618 6.850 -5.554 188 2HD2 ASN 22 2HD2 ASN 22 6.193 8.062 -6.710 189 H ARG 23 H ARG 23 2.605 8.177 -4.217 190 HA ARG 23 HA ARG 23 1.163 5.891 -3.591 191 1HB ARG 23 2HB ARG 23 0.488 7.919 -5.018 192 2HB ARG 23 1HB ARG 23 1.219 7.051 -6.361 193 1HG ARG 23 2HG ARG 23 -0.493 5.620 -6.535 194 2HG ARG 23 1HG ARG 23 -0.662 5.455 -4.787 195 1HD ARG 23 2HD ARG 23 -1.499 8.024 -5.203 196 2HD ARG 23 1HD ARG 23 -2.066 7.212 -6.663 197 HE ARG 23 HE ARG 23 -2.732 5.689 -4.381 198 1HH1 ARG 23 1HH1 ARG 23 -3.656 8.616 -6.058 199 2HH1 ARG 23 2HH1 ARG 23 -5.290 8.569 -5.487 200 1HH2 ARG 23 1HH2 ARG 23 -4.880 5.635 -3.636 201 2HH2 ARG 23 2HH2 ARG 23 -5.984 6.882 -4.115 202 H ASP 24 H ASP 24 3.961 6.239 -5.634 203 HA ASP 24 HA ASP 24 3.647 3.845 -7.094 204 1HB ASP 24 2HB ASP 24 5.390 5.916 -7.241 205 2HB ASP 24 1HB ASP 24 6.412 4.705 -6.473 206 H PHE 25 H PHE 25 5.085 4.564 -3.971 207 HA PHE 25 HA PHE 25 6.177 1.943 -3.594 208 1HB PHE 25 2HB PHE 25 6.814 4.212 -2.430 209 2HB PHE 25 1HB PHE 25 5.514 3.789 -1.320 210 HD1 PHE 25 1HD PHE 25 6.436 3.099 0.666 211 HD2 PHE 25 2HD PHE 25 8.149 1.740 -2.985 212 HE1 PHE 25 1HE PHE 25 7.982 1.662 1.930 213 HE2 PHE 25 2HE PHE 25 9.698 0.300 -1.727 214 HZ PHE 25 HZ PHE 25 9.615 0.260 0.734 215 H ILE 26 H ILE 26 3.289 3.686 -2.592 216 HA ILE 26 HA ILE 26 2.147 1.705 -0.963 217 HB ILE 26 HB ILE 26 0.830 3.862 -2.626 218 1HG1 ILE 26 2HG1 ILE 26 1.559 3.759 0.307 219 2HG1 ILE 26 1HG1 ILE 26 2.394 4.695 -0.927 220 1HG2 ILE 26 1HG2 ILE 26 -0.322 2.085 -0.480 221 2HG2 ILE 26 2HG2 ILE 26 -0.865 2.254 -2.149 222 3HG2 ILE 26 3HG2 ILE 26 -1.081 3.585 -1.013 223 1HD1 ILE 26 1HD1 ILE 26 0.275 5.948 -1.301 224 2HD1 ILE 26 2HD1 ILE 26 0.979 6.160 0.302 225 3HD1 ILE 26 3HD1 ILE 26 -0.409 5.094 0.082 226 H GLU 27 H GLU 27 1.807 2.393 -4.430 227 HA GLU 27 HA GLU 27 0.008 0.225 -4.894 228 1HB GLU 27 2HB GLU 27 0.695 2.459 -6.299 229 2HB GLU 27 1HB GLU 27 1.584 1.225 -7.177 230 1HG GLU 27 2HG GLU 27 -0.268 0.743 -8.280 231 2HG GLU 27 1HG GLU 27 -0.973 0.165 -6.772 232 H LEU 28 H LEU 28 3.465 0.677 -5.016 233 HA LEU 28 HA LEU 28 4.096 -1.714 -6.396 234 1HB LEU 28 2HB LEU 28 5.795 -0.109 -6.385 235 2HB LEU 28 1HB LEU 28 5.606 0.224 -4.678 236 HG LEU 28 HG LEU 28 6.654 -2.447 -5.526 237 1HD1 LEU 28 1HD1 LEU 28 8.947 -1.165 -5.129 238 2HD1 LEU 28 2HD1 LEU 28 8.017 0.168 -5.813 239 3HD1 LEU 28 3HD1 LEU 28 8.222 -1.325 -6.729 240 1HD2 LEU 28 1HD2 LEU 28 6.366 -2.396 -3.242 241 2HD2 LEU 28 2HD2 LEU 28 6.753 -0.679 -3.125 242 3HD2 LEU 28 3HD2 LEU 28 8.039 -1.856 -3.391 243 H ILE 29 H ILE 29 3.941 -0.885 -2.950 244 HA ILE 29 HA ILE 29 4.641 -3.486 -2.046 245 HB ILE 29 HB ILE 29 3.087 -1.372 -0.545 246 1HG1 ILE 29 2HG1 ILE 29 6.005 -1.775 -0.129 247 2HG1 ILE 29 1HG1 ILE 29 5.513 -0.924 -1.588 248 1HG2 ILE 29 1HG2 ILE 29 2.987 -3.575 0.477 249 2HG2 ILE 29 2HG2 ILE 29 3.974 -2.483 1.447 250 3HG2 ILE 29 3HG2 ILE 29 4.745 -3.696 0.424 251 1HD1 ILE 29 1HD1 ILE 29 5.771 0.078 1.039 252 2HD1 ILE 29 2HD1 ILE 29 4.065 0.158 0.597 253 3HD1 ILE 29 3HD1 ILE 29 5.278 0.936 -0.420 254 H GLU 30 H GLU 30 1.652 -1.894 -2.910 255 HA GLU 30 HA GLU 30 -0.049 -3.953 -1.852 256 1HB GLU 30 2HB GLU 30 -0.621 -1.464 -2.316 257 2HB GLU 30 1HB GLU 30 -0.875 -1.992 -3.973 258 1HG GLU 30 2HG GLU 30 -2.331 -3.826 -2.605 259 2HG GLU 30 1HG GLU 30 -2.519 -2.400 -1.587 260 H ASN 31 H ASN 31 1.501 -3.233 -4.898 261 HA ASN 31 HA ASN 31 0.025 -5.079 -6.478 262 1HB ASN 31 2HB ASN 31 2.548 -3.513 -6.816 263 2HB ASN 31 1HB ASN 31 2.224 -4.836 -7.932 264 1HD2 ASN 31 1HD2 ASN 31 2.067 -3.338 -9.631 265 2HD2 ASN 31 2HD2 ASN 31 0.656 -2.363 -9.843 266 H GLU 32 H GLU 32 2.795 -5.350 -4.384 267 HA GLU 32 HA GLU 32 3.573 -7.945 -5.383 268 1HB GLU 32 2HB GLU 32 5.157 -6.264 -4.322 269 2HB GLU 32 1HB GLU 32 4.409 -6.657 -2.781 270 1HG GLU 32 2HG GLU 32 6.479 -7.879 -3.085 271 2HG GLU 32 1HG GLU 32 5.102 -8.978 -3.021 272 H ILE 33 H ILE 33 1.967 -6.619 -2.541 273 HA ILE 33 HA ILE 33 1.469 -9.072 -1.237 274 HB ILE 33 HB ILE 33 -0.043 -6.452 -1.080 275 1HG1 ILE 33 2HG1 ILE 33 1.976 -7.468 0.901 276 2HG1 ILE 33 1HG1 ILE 33 2.480 -6.562 -0.521 277 1HG2 ILE 33 1HG2 ILE 33 -1.135 -8.643 -0.173 278 2HG2 ILE 33 2HG2 ILE 33 -1.138 -7.190 0.820 279 3HG2 ILE 33 3HG2 ILE 33 0.038 -8.466 1.130 280 1HD1 ILE 33 1HD1 ILE 33 0.555 -5.581 1.573 281 2HD1 ILE 33 2HD1 ILE 33 1.147 -4.669 0.183 282 3HD1 ILE 33 3HD1 ILE 33 2.262 -5.150 1.462 283 H LYS 34 H LYS 34 -0.174 -7.298 -3.780 284 HA LYS 34 HA LYS 34 -2.601 -8.790 -3.692 285 1HB LYS 34 2HB LYS 34 -1.370 -6.769 -5.465 286 2HB LYS 34 1HB LYS 34 -2.508 -7.860 -6.244 287 1HG LYS 34 2HG LYS 34 -4.236 -7.236 -4.665 288 2HG LYS 34 1HG LYS 34 -3.099 -6.197 -3.804 289 1HD LYS 34 2HD LYS 34 -2.826 -4.862 -5.878 290 2HD LYS 34 1HD LYS 34 -4.068 -5.858 -6.641 291 1HE LYS 34 2HE LYS 34 -5.728 -5.100 -5.114 292 2HE LYS 34 1HE LYS 34 -4.522 -4.315 -4.098 293 1HZ LYS 34 1HZ LYS 34 -4.081 -2.747 -5.868 294 2HZ LYS 34 2HZ LYS 34 -5.727 -2.729 -5.482 295 3HZ LYS 34 3HZ LYS 34 -5.196 -3.520 -6.880 296 H ARG 35 H ARG 35 0.321 -8.950 -5.702 297 HA ARG 35 HA ARG 35 -0.546 -11.223 -7.189 298 1HB ARG 35 2HB ARG 35 1.402 -9.408 -7.570 299 2HB ARG 35 1HB ARG 35 2.359 -10.703 -6.869 300 1HG ARG 35 2HG ARG 35 1.876 -12.170 -8.619 301 2HG ARG 35 1HG ARG 35 0.502 -11.206 -9.165 302 1HD ARG 35 2HD ARG 35 1.926 -9.504 -10.013 303 2HD ARG 35 1HD ARG 35 3.340 -10.207 -9.229 304 HE ARG 35 HE ARG 35 3.572 -11.613 -11.010 305 1HH1 ARG 35 1HH1 ARG 35 0.309 -10.348 -11.042 306 2HH1 ARG 35 2HH1 ARG 35 -0.079 -11.061 -12.572 307 1HH2 ARG 35 1HH2 ARG 35 3.053 -12.542 -13.018 308 2HH2 ARG 35 2HH2 ARG 35 1.475 -12.304 -13.691 309 H ARG 36 H ARG 36 0.939 -10.771 -4.095 310 HA ARG 36 HA ARG 36 1.951 -13.462 -3.889 311 1HB ARG 36 2HB ARG 36 1.877 -11.053 -2.129 312 2HB ARG 36 1HB ARG 36 2.148 -12.621 -1.389 313 1HG ARG 36 2HG ARG 36 3.995 -12.899 -3.162 314 2HG ARG 36 1HG ARG 36 3.853 -11.151 -3.356 315 1HD ARG 36 2HD ARG 36 4.987 -10.770 -1.476 316 2HD ARG 36 1HD ARG 36 3.991 -11.902 -0.563 317 HE ARG 36 HE ARG 36 5.733 -13.407 -2.115 318 1HH1 ARG 36 1HH1 ARG 36 5.938 -11.110 0.515 319 2HH1 ARG 36 2HH1 ARG 36 7.394 -11.794 1.157 320 1HH2 ARG 36 1HH2 ARG 36 7.644 -14.299 -1.264 321 2HH2 ARG 36 2HH2 ARG 36 8.361 -13.601 0.150 322 H SER 37 H SER 37 -1.138 -12.443 -3.943 323 HA SER 37 HA SER 37 -3.111 -13.277 -3.184 324 1HB SER 37 2HB SER 37 -1.934 -15.445 -3.804 325 2HB SER 37 1HB SER 37 -1.531 -15.613 -2.096 326 HG SER 37 HG SER 37 -3.453 -16.713 -2.571 327 H LEU 38 H LEU 38 -1.586 -11.517 -1.535 328 HA LEU 38 HA LEU 38 -2.513 -12.342 1.148 329 1HB LEU 38 2HB LEU 38 0.042 -12.106 0.572 330 2HB LEU 38 1HB LEU 38 -0.285 -10.395 0.756 331 HG LEU 38 HG LEU 38 -1.199 -10.931 3.054 332 1HD1 LEU 38 1HD1 LEU 38 -0.146 -13.104 3.956 333 2HD1 LEU 38 2HD1 LEU 38 -0.116 -13.605 2.265 334 3HD1 LEU 38 3HD1 LEU 38 -1.649 -13.206 3.040 335 1HD2 LEU 38 1HD2 LEU 38 1.699 -11.516 2.460 336 2HD2 LEU 38 2HD2 LEU 38 1.046 -11.119 4.050 337 3HD2 LEU 38 3HD2 LEU 38 0.989 -9.929 2.750 338 H GLY 39 H GLY 39 -3.880 -10.820 -1.031 339 1HA GLY 39 2HA GLY 39 -3.931 -8.058 -0.322 340 2HA GLY 39 1HA GLY 39 -5.100 -8.898 -1.335 341 H HIS 40 H HIS 40 -5.171 -10.735 1.323 342 HA HIS 40 HA HIS 40 -7.513 -9.377 2.339 343 1HB HIS 40 2HB HIS 40 -7.735 -11.380 3.797 344 2HB HIS 40 1HB HIS 40 -7.614 -11.798 2.090 345 HD1 HIS 40 1HD HIS 40 -5.455 -13.006 1.316 346 HD2 HIS 40 2HD HIS 40 -5.617 -12.247 5.397 347 HE1 HIS 40 1HE HIS 40 -3.620 -14.394 2.330 348 HE2 HIS 40 2HE HIS 40 -3.785 -13.976 4.809 349 H ILE 41 H ILE 41 -4.198 -9.978 3.238 350 HA ILE 41 HA ILE 41 -4.313 -9.293 5.954 351 HB ILE 41 HB ILE 41 -2.390 -10.344 4.552 352 1HG1 ILE 41 2HG1 ILE 41 -0.734 -9.643 6.228 353 2HG1 ILE 41 1HG1 ILE 41 -1.806 -8.339 6.732 354 1HG2 ILE 41 1HG2 ILE 41 -1.156 -7.649 4.499 355 2HG2 ILE 41 2HG2 ILE 41 -2.276 -8.070 3.204 356 3HG2 ILE 41 3HG2 ILE 41 -0.848 -9.057 3.484 357 1HD1 ILE 41 1HD1 ILE 41 -2.751 -11.169 6.758 358 2HD1 ILE 41 2HD1 ILE 41 -3.307 -9.794 7.712 359 3HD1 ILE 41 3HD1 ILE 41 -1.751 -10.545 8.070 360 H ILE 42 H ILE 42 -4.140 -7.403 3.038 361 HA ILE 42 HA ILE 42 -3.662 -4.896 4.372 362 HB ILE 42 HB ILE 42 -4.150 -3.923 2.079 363 1HG1 ILE 42 2HG1 ILE 42 -4.093 -6.830 1.253 364 2HG1 ILE 42 1HG1 ILE 42 -5.507 -5.782 1.215 365 1HG2 ILE 42 1HG2 ILE 42 -1.898 -4.266 2.850 366 2HG2 ILE 42 2HG2 ILE 42 -2.018 -4.654 1.135 367 3HG2 ILE 42 3HG2 ILE 42 -1.950 -5.949 2.329 368 1HD1 ILE 42 1HD1 ILE 42 -3.112 -5.814 -0.542 369 2HD1 ILE 42 2HD1 ILE 42 -3.980 -4.298 -0.295 370 3HD1 ILE 42 3HD1 ILE 42 -4.821 -5.697 -0.960 371 H SER 43 H SER 43 -5.148 -3.049 4.110 372 HA SER 43 HA SER 43 -7.824 -3.831 4.848 373 1HB SER 43 2HB SER 43 -6.717 -1.966 6.012 374 2HB SER 43 1HB SER 43 -6.612 -1.075 4.495 375 HG SER 43 HG SER 43 -8.426 -0.316 5.415 376 H VAL 44 H VAL 44 -7.802 -4.849 2.535 377 HA VAL 44 HA VAL 44 -9.042 -2.922 0.686 378 HB VAL 44 HB VAL 44 -7.489 -5.397 -0.080 379 1HG1 VAL 44 1HG1 VAL 44 -8.891 -3.260 -1.625 380 2HG1 VAL 44 2HG1 VAL 44 -8.927 -5.010 -1.843 381 3HG1 VAL 44 3HG1 VAL 44 -7.498 -4.091 -2.317 382 1HG2 VAL 44 1HG2 VAL 44 -6.672 -2.507 -0.002 383 2HG2 VAL 44 2HG2 VAL 44 -5.804 -3.738 -0.917 384 3HG2 VAL 44 3HG2 VAL 44 -5.928 -3.866 0.837 385 H SER 45 H SER 45 -10.645 -3.861 -0.783 386 HA SER 45 HA SER 45 -12.154 -5.992 0.562 387 1HB SER 45 2HB SER 45 -14.124 -5.132 -0.515 388 2HB SER 45 1HB SER 45 -13.261 -3.760 0.179 389 HG SER 45 HG SER 45 -13.402 -2.990 -1.771 390 H SER 46 H SER 46 -11.045 -7.755 -0.288 391 HA SER 46 HA SER 46 -10.547 -8.107 -3.061 392 1HB SER 46 2HB SER 46 -10.541 -9.964 -0.690 393 2HB SER 46 1HB SER 46 -10.285 -10.572 -2.325 394 HG SER 46 HG SER 46 -8.409 -9.791 -0.896 Start of MODEL 15 1 1H MET 1 1HT MET 1 13.315 -4.748 -1.679 2 2H MET 1 2HT MET 1 12.245 -5.948 -1.081 3 3H MET 1 3HT MET 1 11.946 -4.292 -0.752 4 HA MET 1 HA MET 1 10.489 -4.689 -2.402 5 1HB MET 1 2HB MET 1 12.995 -3.968 -3.931 6 2HB MET 1 1HB MET 1 11.341 -3.524 -4.328 7 1HG MET 1 2HG MET 1 12.530 -2.654 -1.734 8 2HG MET 1 1HG MET 1 12.931 -1.797 -3.221 9 1HE MET 1 1HE MET 1 9.168 -3.186 -1.864 10 2HE MET 1 2HE MET 1 9.144 -1.784 -0.794 11 3HE MET 1 3HE MET 1 10.486 -2.925 -0.723 12 H ARG 2 H ARG 2 13.408 -6.568 -2.764 13 HA ARG 2 HA ARG 2 12.434 -8.032 -5.056 14 1HB ARG 2 2HB ARG 2 14.798 -8.716 -3.311 15 2HB ARG 2 1HB ARG 2 14.497 -9.241 -4.963 16 1HG ARG 2 2HG ARG 2 14.593 -6.742 -5.554 17 2HG ARG 2 1HG ARG 2 15.347 -6.548 -3.970 18 1HD ARG 2 2HD ARG 2 17.017 -8.283 -4.647 19 2HD ARG 2 1HD ARG 2 16.322 -8.238 -6.267 20 HE ARG 2 HE ARG 2 17.104 -5.651 -5.324 21 1HH1 ARG 2 1HH1 ARG 2 18.279 -8.581 -6.834 22 2HH1 ARG 2 2HH1 ARG 2 19.619 -7.793 -7.596 23 1HH2 ARG 2 1HH2 ARG 2 18.867 -4.625 -6.330 24 2HH2 ARG 2 2HH2 ARG 2 19.953 -5.552 -7.310 25 H LYS 3 H LYS 3 13.135 -8.817 -1.647 26 HA LYS 3 HA LYS 3 10.958 -10.734 -1.648 27 1HB LYS 3 2HB LYS 3 13.840 -11.510 -1.468 28 2HB LYS 3 1HB LYS 3 12.656 -12.407 -0.526 29 1HG LYS 3 2HG LYS 3 11.419 -12.916 -2.580 30 2HG LYS 3 1HG LYS 3 12.633 -12.040 -3.516 31 1HD LYS 3 2HD LYS 3 14.277 -13.635 -3.109 32 2HD LYS 3 1HD LYS 3 13.436 -14.283 -1.700 33 1HE LYS 3 2HE LYS 3 12.101 -15.622 -2.944 34 2HE LYS 3 1HE LYS 3 12.000 -14.467 -4.273 35 1HZ LYS 3 1HZ LYS 3 13.278 -16.059 -5.235 36 2HZ LYS 3 2HZ LYS 3 13.974 -16.567 -3.779 37 3HZ LYS 3 3HZ LYS 3 14.515 -15.149 -4.525 38 H LEU 4 H LEU 4 9.888 -9.778 -0.013 39 HA LEU 4 HA LEU 4 11.279 -9.593 2.577 40 1HB LEU 4 2HB LEU 4 9.045 -7.717 1.981 41 2HB LEU 4 1HB LEU 4 10.399 -7.525 3.074 42 HG LEU 4 HG LEU 4 10.712 -5.945 1.343 43 1HD1 LEU 4 1HD1 LEU 4 12.566 -7.749 0.068 44 2HD1 LEU 4 2HD1 LEU 4 12.569 -7.969 1.818 45 3HD1 LEU 4 3HD1 LEU 4 12.876 -6.376 1.129 46 1HD2 LEU 4 1HD2 LEU 4 10.758 -7.874 -0.889 47 2HD2 LEU 4 2HD2 LEU 4 10.196 -6.203 -0.837 48 3HD2 LEU 4 3HD2 LEU 4 9.176 -7.497 -0.209 49 H SER 5 H SER 5 10.142 -10.278 4.349 50 HA SER 5 HA SER 5 8.051 -12.133 3.966 51 1HB SER 5 2HB SER 5 8.609 -10.809 6.608 52 2HB SER 5 1HB SER 5 8.105 -12.469 6.289 53 HG SER 5 HG SER 5 10.243 -12.601 6.720 54 H ASP 6 H ASP 6 5.881 -12.018 4.957 55 HA ASP 6 HA ASP 6 4.413 -9.842 4.008 56 1HB ASP 6 2HB ASP 6 3.390 -11.420 6.358 57 2HB ASP 6 1HB ASP 6 2.508 -10.782 4.983 58 H GLU 7 H GLU 7 6.074 -10.320 7.023 59 HA GLU 7 HA GLU 7 4.788 -8.240 8.463 60 1HB GLU 7 2HB GLU 7 7.071 -10.028 8.858 61 2HB GLU 7 1HB GLU 7 7.308 -8.441 9.575 62 1HG GLU 7 2HG GLU 7 6.345 -10.075 11.139 63 2HG GLU 7 1HG GLU 7 5.306 -8.674 10.882 64 H LEU 8 H LEU 8 7.620 -8.388 6.401 65 HA LEU 8 HA LEU 8 8.337 -5.639 6.870 66 1HB LEU 8 2HB LEU 8 9.375 -7.850 5.177 67 2HB LEU 8 1HB LEU 8 9.807 -6.203 4.758 68 HG LEU 8 HG LEU 8 11.459 -7.424 6.197 69 1HD1 LEU 8 1HD1 LEU 8 10.395 -4.986 7.571 70 2HD1 LEU 8 2HD1 LEU 8 11.181 -4.906 5.994 71 3HD1 LEU 8 3HD1 LEU 8 12.069 -5.512 7.392 72 1HD2 LEU 8 1HD2 LEU 8 9.480 -6.955 8.409 73 2HD2 LEU 8 2HD2 LEU 8 11.036 -7.781 8.501 74 3HD2 LEU 8 3HD2 LEU 8 9.698 -8.517 7.620 75 H LEU 9 H LEU 9 6.656 -7.476 4.386 76 HA LEU 9 HA LEU 9 6.456 -5.276 2.571 77 1HB LEU 9 2HB LEU 9 6.391 -7.733 1.962 78 2HB LEU 9 1HB LEU 9 4.755 -7.760 2.591 79 HG LEU 9 HG LEU 9 4.145 -6.004 0.918 80 1HD1 LEU 9 1HD1 LEU 9 6.986 -6.479 0.080 81 2HD1 LEU 9 2HD1 LEU 9 6.164 -4.950 0.390 82 3HD1 LEU 9 3HD1 LEU 9 5.769 -5.887 -1.051 83 1HD2 LEU 9 1HD2 LEU 9 3.678 -8.371 0.525 84 2HD2 LEU 9 2HD2 LEU 9 5.272 -8.568 -0.203 85 3HD2 LEU 9 3HD2 LEU 9 4.069 -7.535 -0.977 86 H ILE 10 H ILE 10 4.374 -6.662 5.047 87 HA ILE 10 HA ILE 10 2.135 -5.041 4.343 88 HB ILE 10 HB ILE 10 2.700 -6.661 6.820 89 1HG1 ILE 10 2HG1 ILE 10 0.686 -7.178 4.643 90 2HG1 ILE 10 1HG1 ILE 10 2.347 -7.751 4.529 91 1HG2 ILE 10 1HG2 ILE 10 0.541 -4.759 6.243 92 2HG2 ILE 10 2HG2 ILE 10 1.101 -5.406 7.785 93 3HG2 ILE 10 3HG2 ILE 10 -0.004 -6.347 6.784 94 1HD1 ILE 10 1HD1 ILE 10 2.083 -9.130 6.427 95 2HD1 ILE 10 2HD1 ILE 10 0.693 -9.408 5.380 96 3HD1 ILE 10 3HD1 ILE 10 0.530 -8.399 6.818 97 H GLU 11 H GLU 11 4.727 -4.813 6.724 98 HA GLU 11 HA GLU 11 3.733 -2.560 8.089 99 1HB GLU 11 2HB GLU 11 6.303 -3.973 7.902 100 2HB GLU 11 1HB GLU 11 6.456 -2.267 8.270 101 1HG GLU 11 2HG GLU 11 6.371 -3.319 10.346 102 2HG GLU 11 1HG GLU 11 4.752 -2.665 10.108 103 H SER 12 H SER 12 5.346 -2.936 5.025 104 HA SER 12 HA SER 12 6.090 -0.175 4.763 105 1HB SER 12 2HB SER 12 6.004 -1.135 2.193 106 2HB SER 12 1HB SER 12 7.392 -1.279 3.269 107 HG SER 12 HG SER 12 7.110 -3.347 3.212 108 H TYR 13 H TYR 13 3.452 -2.213 3.576 109 HA TYR 13 HA TYR 13 2.126 -0.178 2.116 110 1HB TYR 13 2HB TYR 13 1.742 -2.629 1.813 111 2HB TYR 13 1HB TYR 13 0.928 -2.658 3.372 112 HD1 TYR 13 1HD TYR 13 -1.369 -2.404 3.431 113 HD2 TYR 13 2HD TYR 13 0.777 -0.885 0.087 114 HE1 TYR 13 1HE TYR 13 -3.494 -1.812 2.344 115 HE2 TYR 13 2HE TYR 13 -1.342 -0.287 -1.009 116 HH TYR 13 HH TYR 13 -4.179 -0.003 0.503 117 H PHE 14 H PHE 14 1.983 -1.328 5.420 118 HA PHE 14 HA PHE 14 -0.276 0.264 6.157 119 1HB PHE 14 2HB PHE 14 1.762 -1.290 7.730 120 2HB PHE 14 1HB PHE 14 0.472 -0.391 8.506 121 HD1 PHE 14 1HD PHE 14 0.088 -2.749 9.482 122 HD2 PHE 14 2HD PHE 14 -0.614 -1.765 5.397 123 HE1 PHE 14 1HE PHE 14 -1.379 -4.711 9.260 124 HE2 PHE 14 2HE PHE 14 -2.083 -3.724 5.173 125 HZ PHE 14 HZ PHE 14 -2.466 -5.207 7.104 126 H LYS 15 H LYS 15 3.227 0.561 6.484 127 HA LYS 15 HA LYS 15 3.203 2.930 8.033 128 1HB LYS 15 2HB LYS 15 5.264 1.544 6.355 129 2HB LYS 15 1HB LYS 15 5.589 3.143 6.996 130 1HG LYS 15 2HG LYS 15 4.806 0.780 8.687 131 2HG LYS 15 1HG LYS 15 6.469 1.290 8.391 132 1HD LYS 15 2HD LYS 15 6.203 2.523 10.248 133 2HD LYS 15 1HD LYS 15 5.313 3.624 9.197 134 1HE LYS 15 2HE LYS 15 3.377 1.833 9.853 135 2HE LYS 15 1HE LYS 15 4.350 1.840 11.324 136 1HZ LYS 15 1HZ LYS 15 3.999 4.124 11.617 137 2HZ LYS 15 2HZ LYS 15 2.482 3.513 11.188 138 3HZ LYS 15 3HZ LYS 15 3.414 4.339 10.045 139 H ALA 16 H ALA 16 3.586 2.343 4.557 140 HA ALA 16 HA ALA 16 3.861 5.050 3.825 141 1HB ALA 16 1HB ALA 16 3.109 2.580 2.298 142 2HB ALA 16 2HB ALA 16 4.620 3.489 2.257 143 3HB ALA 16 3HB ALA 16 3.163 4.166 1.530 144 H THR 17 H THR 17 1.026 2.988 4.220 145 HA THR 17 HA THR 17 -0.808 4.778 3.005 146 HB THR 17 HB THR 17 -2.504 3.470 4.426 147 HG1 THR 17 1HG THR 17 -1.742 2.120 5.819 148 1HG2 THR 17 1HG2 THR 17 -1.843 1.247 3.171 149 2HG2 THR 17 2HG2 THR 17 -0.769 2.348 2.307 150 3HG2 THR 17 3HG2 THR 17 -2.509 2.641 2.319 151 H GLU 18 H GLU 18 0.528 4.490 6.221 152 HA GLU 18 HA GLU 18 -1.319 6.278 7.462 153 1HB GLU 18 2HB GLU 18 1.031 4.728 8.247 154 2HB GLU 18 1HB GLU 18 0.922 6.277 9.069 155 1HG GLU 18 2HG GLU 18 -1.602 4.819 8.993 156 2HG GLU 18 1HG GLU 18 -0.313 3.965 9.838 157 H MET 19 H MET 19 1.999 6.598 6.282 158 HA MET 19 HA MET 19 2.092 9.405 6.913 159 1HB MET 19 2HB MET 19 4.330 9.330 6.048 160 2HB MET 19 1HB MET 19 4.073 7.929 7.071 161 1HG MET 19 2HG MET 19 3.868 6.501 5.176 162 2HG MET 19 1HG MET 19 3.864 7.874 4.074 163 1HE MET 19 1HE MET 19 5.798 5.097 4.280 164 2HE MET 19 2HE MET 19 5.897 5.313 6.026 165 3HE MET 19 3HE MET 19 7.358 5.405 5.042 166 H ASN 20 H ASN 20 0.958 7.572 4.281 167 HA ASN 20 HA ASN 20 0.011 8.198 2.306 168 1HB ASN 20 2HB ASN 20 0.864 11.043 2.799 169 2HB ASN 20 1HB ASN 20 -0.458 10.464 1.793 170 1HD2 ASN 20 1HD2 ASN 20 0.465 11.568 4.846 171 2HD2 ASN 20 2HD2 ASN 20 -1.030 11.297 5.668 172 H LEU 21 H LEU 21 2.626 7.253 2.552 173 HA LEU 21 HA LEU 21 4.633 8.609 1.212 174 1HB LEU 21 2HB LEU 21 4.550 6.276 2.416 175 2HB LEU 21 1HB LEU 21 4.243 5.670 0.801 176 HG LEU 21 HG LEU 21 6.615 7.424 1.296 177 1HD1 LEU 21 1HD1 LEU 21 7.678 4.935 1.453 178 2HD1 LEU 21 2HD1 LEU 21 6.182 4.730 2.364 179 3HD1 LEU 21 3HD1 LEU 21 7.340 5.973 2.838 180 1HD2 LEU 21 1HD2 LEU 21 5.551 5.962 -0.902 181 2HD2 LEU 21 2HD2 LEU 21 7.087 5.225 -0.447 182 3HD2 LEU 21 3HD2 LEU 21 7.014 6.943 -0.837 183 H ASN 22 H ASN 22 5.468 8.282 -0.985 184 HA ASN 22 HA ASN 22 3.884 9.075 -3.015 185 1HB ASN 22 2HB ASN 22 6.424 8.681 -2.984 186 2HB ASN 22 1HB ASN 22 6.049 7.054 -3.548 187 1HD2 ASN 22 1HD2 ASN 22 7.563 8.968 -4.962 188 2HD2 ASN 22 2HD2 ASN 22 6.711 9.354 -6.413 189 H ARG 23 H ARG 23 2.486 8.272 -4.480 190 HA ARG 23 HA ARG 23 1.001 5.992 -3.927 191 1HB ARG 23 2HB ARG 23 0.299 7.950 -5.338 192 2HB ARG 23 1HB ARG 23 1.268 7.279 -6.642 193 1HG ARG 23 2HG ARG 23 -0.882 6.552 -7.119 194 2HG ARG 23 1HG ARG 23 -0.142 5.158 -6.330 195 1HD ARG 23 2HD ARG 23 -1.512 5.280 -4.550 196 2HD ARG 23 1HD ARG 23 -1.468 7.042 -4.510 197 HE ARG 23 HE ARG 23 -2.975 6.099 -6.726 198 1HH1 ARG 23 1HH1 ARG 23 -3.155 6.584 -3.266 199 2HH1 ARG 23 2HH1 ARG 23 -4.877 6.751 -3.258 200 1HH2 ARG 23 1HH2 ARG 23 -5.237 6.320 -6.707 201 2HH2 ARG 23 2HH2 ARG 23 -6.058 6.601 -5.207 202 H ASP 24 H ASP 24 3.852 6.362 -5.928 203 HA ASP 24 HA ASP 24 3.613 3.913 -7.307 204 1HB ASP 24 2HB ASP 24 5.267 6.030 -7.559 205 2HB ASP 24 1HB ASP 24 6.343 4.916 -6.722 206 H PHE 25 H PHE 25 4.999 4.762 -4.198 207 HA PHE 25 HA PHE 25 6.230 2.217 -3.764 208 1HB PHE 25 2HB PHE 25 6.717 4.536 -2.626 209 2HB PHE 25 1HB PHE 25 5.432 4.049 -1.525 210 HD1 PHE 25 1HD PHE 25 6.185 3.176 0.449 211 HD2 PHE 25 2HD PHE 25 8.389 2.404 -3.108 212 HE1 PHE 25 1HE PHE 25 7.802 1.849 1.744 213 HE2 PHE 25 2HE PHE 25 10.009 1.074 -1.821 214 HZ PHE 25 HZ PHE 25 9.717 0.795 0.609 215 H ILE 26 H ILE 26 3.256 3.812 -2.731 216 HA ILE 26 HA ILE 26 2.239 1.734 -1.139 217 HB ILE 26 HB ILE 26 0.809 3.897 -2.693 218 1HG1 ILE 26 2HG1 ILE 26 1.634 3.654 0.207 219 2HG1 ILE 26 1HG1 ILE 26 2.299 4.763 -0.986 220 1HG2 ILE 26 1HG2 ILE 26 -1.130 3.457 -1.227 221 2HG2 ILE 26 2HG2 ILE 26 -0.291 2.055 -0.563 222 3HG2 ILE 26 3HG2 ILE 26 -0.753 2.082 -2.265 223 1HD1 ILE 26 1HD1 ILE 26 -0.565 4.812 -0.074 224 2HD1 ILE 26 2HD1 ILE 26 0.272 6.012 -1.056 225 3HD1 ILE 26 3HD1 ILE 26 0.718 5.792 0.636 226 H GLU 27 H GLU 27 1.794 2.495 -4.586 227 HA GLU 27 HA GLU 27 0.074 0.293 -5.089 228 1HB GLU 27 2HB GLU 27 0.689 2.500 -6.497 229 2HB GLU 27 1HB GLU 27 1.755 1.353 -7.294 230 1HG GLU 27 2HG GLU 27 -0.586 -0.033 -7.216 231 2HG GLU 27 1HG GLU 27 -1.151 1.625 -7.415 232 H LEU 28 H LEU 28 3.527 0.764 -5.095 233 HA LEU 28 HA LEU 28 4.221 -1.641 -6.424 234 1HB LEU 28 2HB LEU 28 5.915 -0.047 -6.415 235 2HB LEU 28 1HB LEU 28 5.642 0.387 -4.743 236 HG LEU 28 HG LEU 28 6.784 -2.306 -5.383 237 1HD1 LEU 28 1HD1 LEU 28 8.109 -0.707 -6.686 238 2HD1 LEU 28 2HD1 LEU 28 9.030 -1.373 -5.337 239 3HD1 LEU 28 3HD1 LEU 28 8.366 0.257 -5.232 240 1HD2 LEU 28 1HD2 LEU 28 8.041 -1.598 -3.218 241 2HD2 LEU 28 2HD2 LEU 28 6.359 -2.119 -3.117 242 3HD2 LEU 28 3HD2 LEU 28 6.754 -0.400 -3.081 243 H ILE 29 H ILE 29 3.939 -0.746 -3.001 244 HA ILE 29 HA ILE 29 4.642 -3.326 -2.028 245 HB ILE 29 HB ILE 29 3.022 -1.212 -0.601 246 1HG1 ILE 29 2HG1 ILE 29 5.932 -1.528 -0.093 247 2HG1 ILE 29 1HG1 ILE 29 5.474 -0.742 -1.600 248 1HG2 ILE 29 1HG2 ILE 29 3.872 -2.275 1.426 249 2HG2 ILE 29 2HG2 ILE 29 4.723 -3.470 0.448 250 3HG2 ILE 29 3HG2 ILE 29 2.961 -3.417 0.441 251 1HD1 ILE 29 1HD1 ILE 29 3.941 0.362 0.537 252 2HD1 ILE 29 2HD1 ILE 29 5.103 1.153 -0.528 253 3HD1 ILE 29 3HD1 ILE 29 5.651 0.387 0.962 254 H GLU 30 H GLU 30 1.674 -1.766 -3.015 255 HA GLU 30 HA GLU 30 -0.056 -3.806 -1.968 256 1HB GLU 30 2HB GLU 30 -0.585 -1.309 -2.543 257 2HB GLU 30 1HB GLU 30 -0.849 -1.928 -4.166 258 1HG GLU 30 2HG GLU 30 -2.436 -3.603 -3.074 259 2HG GLU 30 1HG GLU 30 -2.351 -2.561 -1.654 260 H ASN 31 H ASN 31 1.575 -3.140 -4.989 261 HA ASN 31 HA ASN 31 0.138 -5.004 -6.577 262 1HB ASN 31 2HB ASN 31 2.685 -3.466 -6.862 263 2HB ASN 31 1HB ASN 31 2.386 -4.802 -7.966 264 1HD2 ASN 31 1HD2 ASN 31 2.474 -2.988 -9.519 265 2HD2 ASN 31 2HD2 ASN 31 1.006 -2.141 -9.857 266 H GLU 32 H GLU 32 2.917 -5.243 -4.477 267 HA GLU 32 HA GLU 32 3.636 -7.888 -5.373 268 1HB GLU 32 2HB GLU 32 5.197 -6.127 -4.313 269 2HB GLU 32 1HB GLU 32 4.497 -6.619 -2.777 270 1HG GLU 32 2HG GLU 32 5.733 -8.461 -2.685 271 2HG GLU 32 1HG GLU 32 5.372 -8.887 -4.357 272 H ILE 33 H ILE 33 2.050 -6.436 -2.578 273 HA ILE 33 HA ILE 33 1.508 -8.813 -1.169 274 HB ILE 33 HB ILE 33 0.105 -6.127 -1.173 275 1HG1 ILE 33 2HG1 ILE 33 1.936 -7.300 0.914 276 2HG1 ILE 33 1HG1 ILE 33 2.526 -6.319 -0.423 277 1HG2 ILE 33 1HG2 ILE 33 -0.184 -8.193 0.986 278 2HG2 ILE 33 2HG2 ILE 33 -1.336 -8.049 -0.338 279 3HG2 ILE 33 3HG2 ILE 33 -1.091 -6.702 0.766 280 1HD1 ILE 33 1HD1 ILE 33 2.254 -5.014 1.615 281 2HD1 ILE 33 2HD1 ILE 33 0.541 -5.433 1.657 282 3HD1 ILE 33 3HD1 ILE 33 1.177 -4.448 0.338 283 H LYS 34 H LYS 34 -0.089 -7.182 -3.836 284 HA LYS 34 HA LYS 34 -2.519 -8.667 -3.701 285 1HB LYS 34 2HB LYS 34 -1.268 -6.718 -5.530 286 2HB LYS 34 1HB LYS 34 -2.363 -7.854 -6.304 287 1HG LYS 34 2HG LYS 34 -4.157 -7.190 -4.829 288 2HG LYS 34 1HG LYS 34 -3.065 -6.120 -3.945 289 1HD LYS 34 2HD LYS 34 -2.669 -4.976 -6.204 290 2HD LYS 34 1HD LYS 34 -4.105 -5.845 -6.750 291 1HE LYS 34 2HE LYS 34 -5.031 -4.809 -4.445 292 2HE LYS 34 1HE LYS 34 -3.850 -3.576 -4.878 293 1HZ LYS 34 1HZ LYS 34 -6.098 -4.522 -6.570 294 2HZ LYS 34 2HZ LYS 34 -4.929 -3.404 -7.059 295 3HZ LYS 34 3HZ LYS 34 -5.986 -3.022 -5.795 296 H ARG 35 H ARG 35 0.390 -8.905 -5.737 297 HA ARG 35 HA ARG 35 -0.480 -11.259 -7.086 298 1HB ARG 35 2HB ARG 35 1.415 -9.459 -7.636 299 2HB ARG 35 1HB ARG 35 2.425 -10.659 -6.841 300 1HG ARG 35 2HG ARG 35 2.575 -11.658 -8.818 301 2HG ARG 35 1HG ARG 35 0.901 -12.161 -8.581 302 1HD ARG 35 2HD ARG 35 0.069 -10.508 -9.959 303 2HD ARG 35 1HD ARG 35 1.471 -9.465 -9.726 304 HE ARG 35 HE ARG 35 2.492 -10.501 -11.490 305 1HH1 ARG 35 1HH1 ARG 35 -0.198 -12.484 -10.452 306 2HH1 ARG 35 2HH1 ARG 35 -0.062 -13.576 -11.788 307 1HH2 ARG 35 1HH2 ARG 35 2.660 -11.939 -13.242 308 2HH2 ARG 35 2HH2 ARG 35 1.556 -13.267 -13.370 309 H ARG 36 H ARG 36 1.077 -10.642 -4.057 310 HA ARG 36 HA ARG 36 2.115 -13.312 -3.745 311 1HB ARG 36 2HB ARG 36 2.063 -10.820 -2.107 312 2HB ARG 36 1HB ARG 36 2.360 -12.346 -1.293 313 1HG ARG 36 2HG ARG 36 4.248 -12.760 -2.830 314 2HG ARG 36 1HG ARG 36 3.973 -11.173 -3.548 315 1HD ARG 36 2HD ARG 36 4.952 -10.099 -1.839 316 2HD ARG 36 1HD ARG 36 4.194 -11.135 -0.630 317 HE ARG 36 HE ARG 36 6.807 -11.443 -1.793 318 1HH1 ARG 36 1HH1 ARG 36 4.183 -13.094 -0.173 319 2HH1 ARG 36 2HH1 ARG 36 5.195 -14.365 0.428 320 1HH2 ARG 36 1HH2 ARG 36 8.128 -13.116 -1.001 321 2HH2 ARG 36 2HH2 ARG 36 7.430 -14.378 -0.043 322 H SER 37 H SER 37 -0.988 -12.336 -3.773 323 HA SER 37 HA SER 37 -2.926 -13.162 -2.916 324 1HB SER 37 2HB SER 37 -1.579 -15.348 -3.356 325 2HB SER 37 1HB SER 37 -1.401 -15.396 -1.601 326 HG SER 37 HG SER 37 -3.334 -16.438 -2.749 327 H LEU 38 H LEU 38 -1.319 -11.295 -1.424 328 HA LEU 38 HA LEU 38 -2.147 -11.933 1.335 329 1HB LEU 38 2HB LEU 38 0.324 -11.755 0.856 330 2HB LEU 38 1HB LEU 38 0.059 -10.067 0.480 331 HG LEU 38 HG LEU 38 -1.019 -10.104 2.926 332 1HD1 LEU 38 1HD1 LEU 38 0.767 -12.481 2.770 333 2HD1 LEU 38 2HD1 LEU 38 -0.750 -12.265 3.643 334 3HD1 LEU 38 3HD1 LEU 38 0.731 -11.527 4.254 335 1HD2 LEU 38 1HD2 LEU 38 1.680 -9.581 1.866 336 2HD2 LEU 38 2HD2 LEU 38 1.564 -9.736 3.617 337 3HD2 LEU 38 3HD2 LEU 38 0.595 -8.532 2.776 338 H GLY 39 H GLY 39 -3.568 -10.538 -0.998 339 1HA GLY 39 2HA GLY 39 -3.757 -7.775 -0.281 340 2HA GLY 39 1HA GLY 39 -4.817 -8.644 -1.380 341 H HIS 40 H HIS 40 -4.926 -10.486 1.313 342 HA HIS 40 HA HIS 40 -7.410 -9.257 2.158 343 1HB HIS 40 2HB HIS 40 -7.346 -11.680 1.766 344 2HB HIS 40 1HB HIS 40 -6.122 -11.838 3.016 345 HD1 HIS 40 1HD HIS 40 -9.568 -10.214 2.922 346 HD2 HIS 40 2HD HIS 40 -7.282 -12.780 5.258 347 HE1 HIS 40 1HE HIS 40 -11.017 -10.800 4.890 348 HE2 HIS 40 2HE HIS 40 -9.583 -12.287 6.333 349 H ILE 41 H ILE 41 -4.166 -9.799 3.318 350 HA ILE 41 HA ILE 41 -4.573 -9.244 6.046 351 HB ILE 41 HB ILE 41 -2.471 -10.167 4.776 352 1HG1 ILE 41 2HG1 ILE 41 -1.032 -9.601 6.654 353 2HG1 ILE 41 1HG1 ILE 41 -2.118 -8.295 7.118 354 1HG2 ILE 41 1HG2 ILE 41 -1.601 -7.298 4.954 355 2HG2 ILE 41 2HG2 ILE 41 -2.177 -8.035 3.461 356 3HG2 ILE 41 3HG2 ILE 41 -0.735 -8.661 4.252 357 1HD1 ILE 41 1HD1 ILE 41 -2.161 -10.801 8.141 358 2HD1 ILE 41 2HD1 ILE 41 -3.395 -10.916 6.886 359 3HD1 ILE 41 3HD1 ILE 41 -3.531 -9.691 8.148 360 H ILE 42 H ILE 42 -3.989 -7.241 3.254 361 HA ILE 42 HA ILE 42 -3.694 -4.760 4.603 362 HB ILE 42 HB ILE 42 -4.221 -3.780 2.315 363 1HG1 ILE 42 2HG1 ILE 42 -4.090 -6.680 1.468 364 2HG1 ILE 42 1HG1 ILE 42 -5.545 -5.688 1.468 365 1HG2 ILE 42 1HG2 ILE 42 -1.997 -5.786 2.281 366 2HG2 ILE 42 2HG2 ILE 42 -1.946 -4.306 3.239 367 3HG2 ILE 42 3HG2 ILE 42 -2.066 -4.217 1.481 368 1HD1 ILE 42 1HD1 ILE 42 -3.255 -5.722 -0.387 369 2HD1 ILE 42 2HD1 ILE 42 -3.958 -4.144 -0.028 370 3HD1 ILE 42 3HD1 ILE 42 -4.967 -5.430 -0.693 371 H SER 43 H SER 43 -5.205 -2.921 4.337 372 HA SER 43 HA SER 43 -7.882 -3.743 5.061 373 1HB SER 43 2HB SER 43 -6.568 -1.838 6.162 374 2HB SER 43 1HB SER 43 -6.924 -0.901 4.711 375 HG SER 43 HG SER 43 -8.939 -2.175 6.237 376 H VAL 44 H VAL 44 -7.811 -4.683 2.710 377 HA VAL 44 HA VAL 44 -9.047 -2.702 0.912 378 HB VAL 44 HB VAL 44 -7.477 -5.144 0.077 379 1HG1 VAL 44 1HG1 VAL 44 -7.540 -4.143 -2.144 380 2HG1 VAL 44 2HG1 VAL 44 -8.512 -2.810 -1.522 381 3HG1 VAL 44 3HG1 VAL 44 -9.167 -4.447 -1.535 382 1HG2 VAL 44 1HG2 VAL 44 -5.786 -3.446 -0.683 383 2HG2 VAL 44 2HG2 VAL 44 -5.917 -3.663 1.063 384 3HG2 VAL 44 3HG2 VAL 44 -6.656 -2.260 0.289 385 H SER 45 H SER 45 -10.825 -3.370 -0.311 386 HA SER 45 HA SER 45 -12.112 -5.829 0.672 387 1HB SER 45 2HB SER 45 -14.248 -4.785 0.058 388 2HB SER 45 1HB SER 45 -13.346 -3.754 1.168 389 HG SER 45 HG SER 45 -14.349 -2.922 -0.978 390 H SER 46 H SER 46 -11.158 -7.237 -0.805 391 HA SER 46 HA SER 46 -11.208 -6.764 -3.623 392 1HB SER 46 2HB SER 46 -10.444 -9.038 -1.848 393 2HB SER 46 1HB SER 46 -10.766 -9.385 -3.547 394 HG SER 46 HG SER 46 -8.965 -7.392 -2.629 Start of MODEL 16 1 1H MET 1 1HT MET 1 11.867 -3.886 -0.447 2 2H MET 1 2HT MET 1 13.435 -4.458 -0.845 3 3H MET 1 3HT MET 1 12.165 -5.572 -0.542 4 HA MET 1 HA MET 1 10.986 -4.461 -2.448 5 1HB MET 1 2HB MET 1 13.851 -3.646 -2.990 6 2HB MET 1 1HB MET 1 12.485 -3.407 -4.071 7 1HG MET 1 2HG MET 1 12.537 -2.223 -1.320 8 2HG MET 1 1HG MET 1 13.291 -1.417 -2.695 9 1HE MET 1 1HE MET 1 9.197 -1.282 -1.229 10 2HE MET 1 2HE MET 1 10.490 -2.369 -0.727 11 3HE MET 1 3HE MET 1 9.308 -2.898 -1.924 12 H ARG 2 H ARG 2 14.236 -5.888 -2.204 13 HA ARG 2 HA ARG 2 13.914 -7.616 -4.436 14 1HB ARG 2 2HB ARG 2 16.050 -6.810 -3.014 15 2HB ARG 2 1HB ARG 2 15.793 -8.385 -2.272 16 1HG ARG 2 2HG ARG 2 15.889 -9.416 -4.514 17 2HG ARG 2 1HG ARG 2 16.249 -7.829 -5.196 18 1HD ARG 2 2HD ARG 2 17.909 -9.337 -3.179 19 2HD ARG 2 1HD ARG 2 18.295 -9.098 -4.882 20 HE ARG 2 HE ARG 2 18.649 -7.214 -2.740 21 1HH1 ARG 2 1HH1 ARG 2 18.252 -7.569 -6.198 22 2HH1 ARG 2 2HH1 ARG 2 19.013 -6.056 -6.560 23 1HH2 ARG 2 1HH2 ARG 2 19.646 -5.229 -3.226 24 2HH2 ARG 2 2HH2 ARG 2 19.802 -4.730 -4.877 25 H LYS 3 H LYS 3 13.794 -8.199 -0.924 26 HA LYS 3 HA LYS 3 11.729 -10.150 -1.206 27 1HB LYS 3 2HB LYS 3 13.721 -11.466 -1.909 28 2HB LYS 3 1HB LYS 3 14.444 -11.156 -0.336 29 1HG LYS 3 2HG LYS 3 13.140 -12.666 0.714 30 2HG LYS 3 1HG LYS 3 11.741 -12.334 -0.309 31 1HD LYS 3 2HD LYS 3 14.020 -13.592 -1.679 32 2HD LYS 3 1HD LYS 3 13.245 -14.590 -0.447 33 1HE LYS 3 2HE LYS 3 11.351 -14.829 -1.646 34 2HE LYS 3 1HE LYS 3 11.409 -13.177 -2.260 35 1HZ LYS 3 1HZ LYS 3 11.868 -14.283 -4.163 36 2HZ LYS 3 2HZ LYS 3 12.552 -15.617 -3.378 37 3HZ LYS 3 3HZ LYS 3 13.450 -14.197 -3.571 38 H LEU 4 H LEU 4 10.529 -9.376 0.412 39 HA LEU 4 HA LEU 4 11.758 -9.234 3.084 40 1HB LEU 4 2HB LEU 4 9.534 -7.372 2.406 41 2HB LEU 4 1HB LEU 4 10.814 -7.196 3.589 42 HG LEU 4 HG LEU 4 11.221 -6.949 0.605 43 1HD1 LEU 4 1HD1 LEU 4 10.450 -4.980 2.687 44 2HD1 LEU 4 2HD1 LEU 4 10.019 -5.054 0.979 45 3HD1 LEU 4 3HD1 LEU 4 11.614 -4.477 1.462 46 1HD2 LEU 4 1HD2 LEU 4 13.326 -7.382 1.336 47 2HD2 LEU 4 2HD2 LEU 4 12.990 -6.838 2.979 48 3HD2 LEU 4 3HD2 LEU 4 13.280 -5.657 1.702 49 H SER 5 H SER 5 10.504 -9.943 4.782 50 HA SER 5 HA SER 5 8.542 -11.879 4.258 51 1HB SER 5 2HB SER 5 8.905 -10.420 6.878 52 2HB SER 5 1HB SER 5 8.272 -12.047 6.633 53 HG SER 5 HG SER 5 10.437 -12.486 5.700 54 H ASP 6 H ASP 6 6.281 -11.866 4.990 55 HA ASP 6 HA ASP 6 4.813 -9.781 3.851 56 1HB ASP 6 2HB ASP 6 3.605 -11.405 6.072 57 2HB ASP 6 1HB ASP 6 2.870 -10.830 4.586 58 H GLU 7 H GLU 7 6.170 -10.123 7.024 59 HA GLU 7 HA GLU 7 4.585 -8.097 8.261 60 1HB GLU 7 2HB GLU 7 6.770 -9.865 9.017 61 2HB GLU 7 1HB GLU 7 6.977 -8.254 9.689 62 1HG GLU 7 2HG GLU 7 4.404 -8.641 10.294 63 2HG GLU 7 1HG GLU 7 4.951 -10.316 10.281 64 H LEU 8 H LEU 8 7.636 -8.197 6.561 65 HA LEU 8 HA LEU 8 8.273 -5.441 7.106 66 1HB LEU 8 2HB LEU 8 9.507 -7.641 5.527 67 2HB LEU 8 1HB LEU 8 9.970 -5.987 5.170 68 HG LEU 8 HG LEU 8 11.490 -7.138 6.753 69 1HD1 LEU 8 1HD1 LEU 8 10.031 -4.768 7.895 70 2HD1 LEU 8 2HD1 LEU 8 11.323 -4.703 6.696 71 3HD1 LEU 8 3HD1 LEU 8 11.659 -5.294 8.323 72 1HD2 LEU 8 1HD2 LEU 8 9.508 -6.826 8.932 73 2HD2 LEU 8 2HD2 LEU 8 10.852 -7.958 8.776 74 3HD2 LEU 8 3HD2 LEU 8 9.358 -8.235 7.881 75 H LEU 9 H LEU 9 6.873 -7.309 4.483 76 HA LEU 9 HA LEU 9 6.820 -5.138 2.620 77 1HB LEU 9 2HB LEU 9 6.881 -7.405 1.799 78 2HB LEU 9 1HB LEU 9 5.414 -7.805 2.668 79 HG LEU 9 HG LEU 9 4.246 -6.076 1.196 80 1HD1 LEU 9 1HD1 LEU 9 5.254 -5.324 -0.760 81 2HD1 LEU 9 2HD1 LEU 9 6.559 -6.505 -0.658 82 3HD1 LEU 9 3HD1 LEU 9 6.519 -5.137 0.455 83 1HD2 LEU 9 1HD2 LEU 9 4.094 -7.682 -0.707 84 2HD2 LEU 9 2HD2 LEU 9 3.856 -8.416 0.879 85 3HD2 LEU 9 3HD2 LEU 9 5.394 -8.611 0.039 86 H ILE 10 H ILE 10 4.441 -6.659 4.754 87 HA ILE 10 HA ILE 10 2.315 -4.978 3.916 88 HB ILE 10 HB ILE 10 2.592 -6.655 6.406 89 1HG1 ILE 10 2HG1 ILE 10 0.918 -7.199 3.963 90 2HG1 ILE 10 1HG1 ILE 10 2.598 -7.717 4.067 91 1HG2 ILE 10 1HG2 ILE 10 0.079 -5.450 5.254 92 2HG2 ILE 10 2HG2 ILE 10 0.938 -4.807 6.653 93 3HG2 ILE 10 3HG2 ILE 10 0.222 -6.416 6.722 94 1HD1 ILE 10 1HD1 ILE 10 0.639 -9.301 4.744 95 2HD1 ILE 10 2HD1 ILE 10 0.756 -8.432 6.271 96 3HD1 ILE 10 3HD1 ILE 10 2.156 -9.296 5.637 97 H GLU 11 H GLU 11 4.750 -4.794 6.422 98 HA GLU 11 HA GLU 11 3.634 -2.668 7.896 99 1HB GLU 11 2HB GLU 11 6.343 -3.850 7.597 100 2HB GLU 11 1HB GLU 11 6.241 -2.246 8.297 101 1HG GLU 11 2HG GLU 11 4.877 -3.027 10.085 102 2HG GLU 11 1HG GLU 11 4.686 -4.605 9.323 103 H SER 12 H SER 12 5.374 -2.812 4.885 104 HA SER 12 HA SER 12 6.037 -0.029 4.784 105 1HB SER 12 2HB SER 12 5.732 -1.795 2.361 106 2HB SER 12 1HB SER 12 6.842 -0.448 2.609 107 HG SER 12 HG SER 12 7.749 -2.638 2.771 108 H TYR 13 H TYR 13 3.489 -2.061 3.385 109 HA TYR 13 HA TYR 13 2.142 0.028 2.034 110 1HB TYR 13 2HB TYR 13 1.788 -2.410 1.600 111 2HB TYR 13 1HB TYR 13 0.943 -2.522 3.137 112 HD1 TYR 13 1HD TYR 13 0.852 -0.601 -0.063 113 HD2 TYR 13 2HD TYR 13 -1.359 -2.265 3.169 114 HE1 TYR 13 1HE TYR 13 -1.245 0.044 -1.173 115 HE2 TYR 13 2HE TYR 13 -3.462 -1.625 2.066 116 HH TYR 13 HH TYR 13 -4.044 -1.162 -0.662 117 H PHE 14 H PHE 14 1.888 -1.339 5.268 118 HA PHE 14 HA PHE 14 -0.385 0.181 6.053 119 1HB PHE 14 2HB PHE 14 1.714 -1.330 7.582 120 2HB PHE 14 1HB PHE 14 0.421 -0.472 8.394 121 HD1 PHE 14 1HD PHE 14 -0.515 -1.971 5.238 122 HD2 PHE 14 2HD PHE 14 -0.062 -2.713 9.408 123 HE1 PHE 14 1HE PHE 14 -1.937 -3.965 5.034 124 HE2 PHE 14 2HE PHE 14 -1.487 -4.709 9.207 125 HZ PHE 14 HZ PHE 14 -2.422 -5.342 7.018 126 H LYS 15 H LYS 15 3.100 0.547 6.526 127 HA LYS 15 HA LYS 15 2.972 2.914 8.057 128 1HB LYS 15 2HB LYS 15 5.121 1.584 6.437 129 2HB LYS 15 1HB LYS 15 5.391 3.175 7.127 130 1HG LYS 15 2HG LYS 15 4.647 0.710 8.688 131 2HG LYS 15 1HG LYS 15 6.272 1.384 8.543 132 1HD LYS 15 2HD LYS 15 5.737 2.466 10.443 133 2HD LYS 15 1HD LYS 15 4.878 3.563 9.362 134 1HE LYS 15 2HE LYS 15 2.851 2.853 10.045 135 2HE LYS 15 1HE LYS 15 3.371 1.174 10.180 136 1HZ LYS 15 1HZ LYS 15 4.706 2.267 12.201 137 2HZ LYS 15 2HZ LYS 15 3.158 1.605 12.364 138 3HZ LYS 15 3HZ LYS 15 3.348 3.275 12.183 139 H ALA 16 H ALA 16 3.495 2.331 4.602 140 HA ALA 16 HA ALA 16 3.790 5.008 3.840 141 1HB ALA 16 1HB ALA 16 3.098 4.133 1.554 142 2HB ALA 16 2HB ALA 16 2.951 2.555 2.328 143 3HB ALA 16 3HB ALA 16 4.507 3.384 2.304 144 H THR 17 H THR 17 0.909 3.035 4.294 145 HA THR 17 HA THR 17 -0.878 4.871 3.059 146 HB THR 17 HB THR 17 -2.625 3.605 4.409 147 HG1 THR 17 1HG THR 17 -1.931 1.791 5.497 148 1HG2 THR 17 1HG2 THR 17 -2.654 2.567 2.439 149 2HG2 THR 17 2HG2 THR 17 -1.741 1.306 3.268 150 3HG2 THR 17 3HG2 THR 17 -0.895 2.530 2.320 151 H GLU 18 H GLU 18 0.450 4.529 6.273 152 HA GLU 18 HA GLU 18 -1.341 6.380 7.510 153 1HB GLU 18 2HB GLU 18 0.907 4.706 8.316 154 2HB GLU 18 1HB GLU 18 0.902 6.264 9.129 155 1HG GLU 18 2HG GLU 18 -1.376 4.299 9.072 156 2HG GLU 18 1HG GLU 18 -0.273 4.572 10.420 157 H MET 19 H MET 19 1.995 6.563 6.351 158 HA MET 19 HA MET 19 2.204 9.360 7.004 159 1HB MET 19 2HB MET 19 4.443 9.197 6.158 160 2HB MET 19 1HB MET 19 4.120 7.798 7.164 161 1HG MET 19 2HG MET 19 3.843 6.411 5.231 162 2HG MET 19 1HG MET 19 3.972 7.803 4.162 163 1HE MET 19 1HE MET 19 7.248 5.071 5.134 164 2HE MET 19 2HE MET 19 5.746 4.934 4.221 165 3HE MET 19 3HE MET 19 5.702 5.008 5.981 166 H ASN 20 H ASN 20 1.030 7.583 4.346 167 HA ASN 20 HA ASN 20 0.120 8.254 2.370 168 1HB ASN 20 2HB ASN 20 1.056 11.067 2.905 169 2HB ASN 20 1HB ASN 20 -0.266 10.542 1.869 170 1HD2 ASN 20 1HD2 ASN 20 -2.096 9.488 2.959 171 2HD2 ASN 20 2HD2 ASN 20 -2.553 10.059 4.523 172 H LEU 21 H LEU 21 2.674 7.196 2.589 173 HA LEU 21 HA LEU 21 4.733 8.516 1.268 174 1HB LEU 21 2HB LEU 21 4.589 6.186 2.472 175 2HB LEU 21 1HB LEU 21 4.265 5.587 0.859 176 HG LEU 21 HG LEU 21 6.692 7.262 1.392 177 1HD1 LEU 21 1HD1 LEU 21 7.687 4.756 1.468 178 2HD1 LEU 21 2HD1 LEU 21 6.162 4.524 2.321 179 3HD1 LEU 21 3HD1 LEU 21 7.322 5.721 2.899 180 1HD2 LEU 21 1HD2 LEU 21 7.013 6.878 -0.776 181 2HD2 LEU 21 2HD2 LEU 21 5.586 5.846 -0.846 182 3HD2 LEU 21 3HD2 LEU 21 7.153 5.156 -0.427 183 H ASN 22 H ASN 22 5.541 8.209 -0.934 184 HA ASN 22 HA ASN 22 3.928 9.009 -2.947 185 1HB ASN 22 2HB ASN 22 6.444 8.720 -2.990 186 2HB ASN 22 1HB ASN 22 6.160 7.037 -3.426 187 1HD2 ASN 22 1HD2 ASN 22 7.540 8.008 -5.245 188 2HD2 ASN 22 2HD2 ASN 22 6.662 8.586 -6.616 189 H ARG 23 H ARG 23 2.429 8.214 -4.285 190 HA ARG 23 HA ARG 23 1.024 5.900 -3.752 191 1HB ARG 23 2HB ARG 23 0.368 7.927 -5.183 192 2HB ARG 23 1HB ARG 23 1.155 7.085 -6.511 193 1HG ARG 23 2HG ARG 23 -1.095 6.526 -6.722 194 2HG ARG 23 1HG ARG 23 -0.372 5.121 -5.937 195 1HD ARG 23 2HD ARG 23 -1.141 5.939 -3.764 196 2HD ARG 23 1HD ARG 23 -1.854 7.349 -4.545 197 HE ARG 23 HE ARG 23 -2.990 5.202 -5.804 198 1HH1 ARG 23 1HH1 ARG 23 -2.785 6.293 -2.485 199 2HH1 ARG 23 2HH1 ARG 23 -4.300 5.586 -2.034 200 1HH2 ARG 23 1HH2 ARG 23 -4.977 4.278 -5.202 201 2HH2 ARG 23 2HH2 ARG 23 -5.542 4.445 -3.573 202 H ASP 24 H ASP 24 3.853 6.298 -5.758 203 HA ASP 24 HA ASP 24 3.591 3.876 -7.192 204 1HB ASP 24 2HB ASP 24 5.270 6.013 -7.370 205 2HB ASP 24 1HB ASP 24 6.340 4.812 -6.650 206 H PHE 25 H PHE 25 5.025 4.679 -4.089 207 HA PHE 25 HA PHE 25 6.241 2.117 -3.708 208 1HB PHE 25 2HB PHE 25 6.775 4.418 -2.556 209 2HB PHE 25 1HB PHE 25 5.505 3.934 -1.436 210 HD1 PHE 25 1HD PHE 25 8.540 2.467 -3.041 211 HD2 PHE 25 2HD PHE 25 6.157 2.838 0.466 212 HE1 PHE 25 1HE PHE 25 10.168 1.105 -1.795 213 HE2 PHE 25 2HE PHE 25 7.780 1.477 1.718 214 HZ PHE 25 HZ PHE 25 9.789 0.609 0.588 215 H ILE 26 H ILE 26 3.283 3.723 -2.669 216 HA ILE 26 HA ILE 26 2.270 1.661 -1.049 217 HB ILE 26 HB ILE 26 0.834 3.816 -2.612 218 1HG1 ILE 26 2HG1 ILE 26 1.651 3.607 0.293 219 2HG1 ILE 26 1HG1 ILE 26 2.357 4.674 -0.915 220 1HG2 ILE 26 1HG2 ILE 26 -0.252 2.013 -0.441 221 2HG2 ILE 26 2HG2 ILE 26 -0.722 1.997 -2.141 222 3HG2 ILE 26 3HG2 ILE 26 -1.094 3.398 -1.137 223 1HD1 ILE 26 1HD1 ILE 26 -0.227 4.881 0.529 224 2HD1 ILE 26 2HD1 ILE 26 -0.119 5.543 -1.103 225 3HD1 ILE 26 3HD1 ILE 26 0.968 6.123 0.159 226 H GLU 27 H GLU 27 1.767 2.426 -4.490 227 HA GLU 27 HA GLU 27 0.062 0.206 -4.966 228 1HB GLU 27 2HB GLU 27 0.668 2.433 -6.383 229 2HB GLU 27 1HB GLU 27 1.658 1.253 -7.227 230 1HG GLU 27 2HG GLU 27 -0.720 -0.060 -7.029 231 2HG GLU 27 1HG GLU 27 -1.239 1.615 -7.213 232 H LEU 28 H LEU 28 3.507 0.691 -4.994 233 HA LEU 28 HA LEU 28 4.194 -1.684 -6.383 234 1HB LEU 28 2HB LEU 28 5.879 -0.079 -6.358 235 2HB LEU 28 1HB LEU 28 5.632 0.305 -4.669 236 HG LEU 28 HG LEU 28 6.758 -2.370 -5.394 237 1HD1 LEU 28 1HD1 LEU 28 9.022 -1.386 -5.295 238 2HD1 LEU 28 2HD1 LEU 28 8.296 0.221 -5.313 239 3HD1 LEU 28 3HD1 LEU 28 8.102 -0.849 -6.701 240 1HD2 LEU 28 1HD2 LEU 28 8.061 -1.712 -3.244 241 2HD2 LEU 28 2HD2 LEU 28 6.377 -2.219 -3.116 242 3HD2 LEU 28 3HD2 LEU 28 6.790 -0.506 -3.057 243 H ILE 29 H ILE 29 3.969 -0.857 -2.936 244 HA ILE 29 HA ILE 29 4.672 -3.467 -2.037 245 HB ILE 29 HB ILE 29 3.112 -1.365 -0.524 246 1HG1 ILE 29 2HG1 ILE 29 6.041 -1.750 -0.136 247 2HG1 ILE 29 1HG1 ILE 29 5.521 -0.867 -1.567 248 1HG2 ILE 29 1HG2 ILE 29 3.940 -2.482 1.459 249 2HG2 ILE 29 2HG2 ILE 29 4.830 -3.636 0.464 250 3HG2 ILE 29 3HG2 ILE 29 3.066 -3.626 0.439 251 1HD1 ILE 29 1HD1 ILE 29 5.074 0.956 -0.384 252 2HD1 ILE 29 2HD1 ILE 29 5.930 0.176 0.945 253 3HD1 ILE 29 3HD1 ILE 29 4.176 0.045 0.830 254 H GLU 30 H GLU 30 1.704 -1.858 -2.933 255 HA GLU 30 HA GLU 30 -0.028 -3.898 -1.888 256 1HB GLU 30 2HB GLU 30 -0.541 -1.385 -2.417 257 2HB GLU 30 1HB GLU 30 -0.845 -1.979 -4.043 258 1HG GLU 30 2HG GLU 30 -2.423 -3.655 -2.927 259 2HG GLU 30 1HG GLU 30 -2.301 -2.615 -1.507 260 H ASN 31 H ASN 31 1.546 -3.178 -4.928 261 HA ASN 31 HA ASN 31 0.088 -5.022 -6.518 262 1HB ASN 31 2HB ASN 31 2.628 -3.478 -6.825 263 2HB ASN 31 1HB ASN 31 2.311 -4.799 -7.942 264 1HD2 ASN 31 1HD2 ASN 31 2.402 -2.905 -9.435 265 2HD2 ASN 31 2HD2 ASN 31 0.921 -2.075 -9.752 266 H GLU 32 H GLU 32 2.854 -5.300 -4.416 267 HA GLU 32 HA GLU 32 3.597 -7.915 -5.384 268 1HB GLU 32 2HB GLU 32 5.304 -6.421 -4.439 269 2HB GLU 32 1HB GLU 32 4.452 -6.405 -2.902 270 1HG GLU 32 2HG GLU 32 6.089 -7.940 -2.482 271 2HG GLU 32 1HG GLU 32 4.778 -8.989 -3.019 272 H ILE 33 H ILE 33 1.993 -6.540 -2.562 273 HA ILE 33 HA ILE 33 1.472 -8.981 -1.238 274 HB ILE 33 HB ILE 33 0.035 -6.319 -1.101 275 1HG1 ILE 33 2HG1 ILE 33 1.965 -7.487 0.898 276 2HG1 ILE 33 1HG1 ILE 33 2.504 -6.492 -0.451 277 1HG2 ILE 33 1HG2 ILE 33 -0.222 -7.836 1.311 278 2HG2 ILE 33 2HG2 ILE 33 -0.798 -8.804 -0.045 279 3HG2 ILE 33 3HG2 ILE 33 -1.485 -7.209 0.251 280 1HD1 ILE 33 1HD1 ILE 33 2.310 -5.136 1.514 281 2HD1 ILE 33 2HD1 ILE 33 0.649 -5.672 1.769 282 3HD1 ILE 33 3HD1 ILE 33 1.049 -4.672 0.372 283 H LYS 34 H LYS 34 -0.174 -7.180 -3.766 284 HA LYS 34 HA LYS 34 -2.612 -8.633 -3.684 285 1HB LYS 34 2HB LYS 34 -1.307 -6.703 -5.516 286 2HB LYS 34 1HB LYS 34 -2.484 -7.777 -6.258 287 1HG LYS 34 2HG LYS 34 -4.193 -7.030 -4.729 288 2HG LYS 34 1HG LYS 34 -3.022 -6.032 -3.865 289 1HD LYS 34 2HD LYS 34 -2.708 -5.146 -6.420 290 2HD LYS 34 1HD LYS 34 -4.428 -5.537 -6.395 291 1HE LYS 34 2HE LYS 34 -4.153 -4.233 -4.033 292 2HE LYS 34 1HE LYS 34 -2.947 -3.405 -5.016 293 1HZ LYS 34 1HZ LYS 34 -4.524 -2.570 -6.414 294 2HZ LYS 34 2HZ LYS 34 -5.425 -2.622 -4.984 295 3HZ LYS 34 3HZ LYS 34 -5.617 -3.834 -6.147 296 H ARG 35 H ARG 35 0.326 -8.899 -5.664 297 HA ARG 35 HA ARG 35 -0.562 -11.179 -7.122 298 1HB ARG 35 2HB ARG 35 1.290 -9.484 -7.730 299 2HB ARG 35 1HB ARG 35 2.324 -10.456 -6.693 300 1HG ARG 35 2HG ARG 35 2.365 -12.213 -8.138 301 2HG ARG 35 1HG ARG 35 0.767 -11.853 -8.796 302 1HD ARG 35 2HD ARG 35 1.647 -10.006 -10.061 303 2HD ARG 35 1HD ARG 35 3.229 -10.191 -9.304 304 HE ARG 35 HE ARG 35 2.728 -12.604 -10.494 305 1HH1 ARG 35 1HH1 ARG 35 2.915 -9.290 -11.600 306 2HH1 ARG 35 2HH1 ARG 35 3.454 -9.724 -13.187 307 1HH2 ARG 35 1HH2 ARG 35 3.436 -13.165 -12.580 308 2HH2 ARG 35 2HH2 ARG 35 3.749 -11.920 -13.743 309 H ARG 36 H ARG 36 0.949 -10.701 -4.038 310 HA ARG 36 HA ARG 36 1.911 -13.393 -3.763 311 1HB ARG 36 2HB ARG 36 1.753 -10.983 -2.000 312 2HB ARG 36 1HB ARG 36 2.033 -12.553 -1.269 313 1HG ARG 36 2HG ARG 36 3.906 -12.714 -3.109 314 2HG ARG 36 1HG ARG 36 3.788 -10.954 -3.053 315 1HD ARG 36 2HD ARG 36 3.956 -11.269 -0.489 316 2HD ARG 36 1HD ARG 36 4.583 -12.866 -0.891 317 HE ARG 36 HE ARG 36 5.995 -10.979 -2.388 318 1HH1 ARG 36 1HH1 ARG 36 5.598 -11.917 0.960 319 2HH1 ARG 36 2HH1 ARG 36 7.182 -11.392 1.418 320 1HH2 ARG 36 1HH2 ARG 36 8.074 -10.292 -1.775 321 2HH2 ARG 36 2HH2 ARG 36 8.586 -10.471 -0.130 322 H SER 37 H SER 37 -1.186 -12.277 -3.845 323 HA SER 37 HA SER 37 -3.185 -13.085 -3.134 324 1HB SER 37 2HB SER 37 -2.061 -15.268 -3.815 325 2HB SER 37 1HB SER 37 -1.687 -15.501 -2.108 326 HG SER 37 HG SER 37 -3.651 -16.518 -2.728 327 H LEU 38 H LEU 38 -1.610 -11.422 -1.432 328 HA LEU 38 HA LEU 38 -2.573 -12.302 1.215 329 1HB LEU 38 2HB LEU 38 -0.012 -12.166 0.677 330 2HB LEU 38 1HB LEU 38 -0.258 -10.446 0.907 331 HG LEU 38 HG LEU 38 -1.225 -10.993 3.174 332 1HD1 LEU 38 1HD1 LEU 38 -1.161 -13.097 4.049 333 2HD1 LEU 38 2HD1 LEU 38 0.190 -13.598 3.033 334 3HD1 LEU 38 3HD1 LEU 38 -1.434 -13.495 2.352 335 1HD2 LEU 38 1HD2 LEU 38 0.995 -11.367 4.187 336 2HD2 LEU 38 2HD2 LEU 38 1.008 -10.108 2.952 337 3HD2 LEU 38 3HD2 LEU 38 1.641 -11.712 2.584 338 H GLY 39 H GLY 39 -3.667 -10.462 -1.040 339 1HA GLY 39 2HA GLY 39 -3.646 -7.799 -0.147 340 2HA GLY 39 1HA GLY 39 -4.911 -8.536 -1.126 341 H HIS 40 H HIS 40 -5.461 -10.582 0.947 342 HA HIS 40 HA HIS 40 -7.538 -9.288 2.306 343 1HB HIS 40 2HB HIS 40 -7.682 -11.350 3.664 344 2HB HIS 40 1HB HIS 40 -7.551 -11.697 1.943 345 HD1 HIS 40 1HD HIS 40 -5.572 -13.071 1.180 346 HD2 HIS 40 2HD HIS 40 -5.315 -11.936 5.169 347 HE1 HIS 40 1HE HIS 40 -3.634 -14.367 2.124 348 HE2 HIS 40 2HE HIS 40 -3.542 -13.717 4.556 349 H ILE 41 H ILE 41 -4.174 -9.691 3.084 350 HA ILE 41 HA ILE 41 -4.386 -9.096 5.859 351 HB ILE 41 HB ILE 41 -2.453 -10.255 4.563 352 1HG1 ILE 41 2HG1 ILE 41 -0.840 -9.618 6.297 353 2HG1 ILE 41 1HG1 ILE 41 -1.853 -8.244 6.732 354 1HG2 ILE 41 1HG2 ILE 41 -1.018 -7.683 4.553 355 2HG2 ILE 41 2HG2 ILE 41 -2.175 -7.936 3.250 356 3HG2 ILE 41 3HG2 ILE 41 -0.860 -9.079 3.489 357 1HD1 ILE 41 1HD1 ILE 41 -3.324 -10.736 6.743 358 2HD1 ILE 41 2HD1 ILE 41 -3.161 -9.513 8.001 359 3HD1 ILE 41 3HD1 ILE 41 -1.936 -10.770 7.828 360 H ILE 42 H ILE 42 -4.041 -7.225 2.932 361 HA ILE 42 HA ILE 42 -3.692 -4.744 4.436 362 HB ILE 42 HB ILE 42 -3.087 -3.694 2.394 363 1HG1 ILE 42 2HG1 ILE 42 -3.958 -6.161 0.896 364 2HG1 ILE 42 1HG1 ILE 42 -4.859 -4.652 0.955 365 1HG2 ILE 42 1HG2 ILE 42 -1.917 -6.406 2.011 366 2HG2 ILE 42 2HG2 ILE 42 -1.515 -5.424 3.420 367 3HG2 ILE 42 3HG2 ILE 42 -1.162 -4.828 1.797 368 1HD1 ILE 42 1HD1 ILE 42 -2.335 -3.894 0.132 369 2HD1 ILE 42 2HD1 ILE 42 -3.766 -4.077 -0.881 370 3HD1 ILE 42 3HD1 ILE 42 -2.631 -5.415 -0.710 371 H SER 43 H SER 43 -4.871 -2.870 3.007 372 HA SER 43 HA SER 43 -7.726 -3.525 3.185 373 1HB SER 43 2HB SER 43 -6.677 -1.560 4.502 374 2HB SER 43 1HB SER 43 -6.584 -0.742 2.942 375 HG SER 43 HG SER 43 -8.522 -0.252 4.051 376 H VAL 44 H VAL 44 -7.630 -4.615 1.135 377 HA VAL 44 HA VAL 44 -7.005 -3.014 -1.209 378 HB VAL 44 HB VAL 44 -8.212 -5.736 -1.481 379 1HG1 VAL 44 1HG1 VAL 44 -6.333 -5.769 -3.249 380 2HG1 VAL 44 2HG1 VAL 44 -6.249 -4.032 -2.956 381 3HG1 VAL 44 3HG1 VAL 44 -7.752 -4.758 -3.528 382 1HG2 VAL 44 1HG2 VAL 44 -6.365 -5.779 0.336 383 2HG2 VAL 44 2HG2 VAL 44 -5.267 -5.494 -1.009 384 3HG2 VAL 44 3HG2 VAL 44 -6.282 -6.931 -0.989 385 H SER 45 H SER 45 -8.488 -1.676 -1.979 386 HA SER 45 HA SER 45 -11.318 -2.269 -1.580 387 1HB SER 45 2HB SER 45 -10.357 0.012 -1.066 388 2HB SER 45 1HB SER 45 -10.103 0.218 -2.799 389 HG SER 45 HG SER 45 -12.145 1.040 -1.837 390 H SER 46 H SER 46 -11.645 -3.918 -3.073 391 HA SER 46 HA SER 46 -12.054 -3.013 -5.786 392 1HB SER 46 2HB SER 46 -9.614 -4.078 -5.358 393 2HB SER 46 1HB SER 46 -10.526 -5.554 -5.675 394 HG SER 46 HG SER 46 -10.617 -5.025 -7.703 Start of MODEL 17 1 1H MET 1 1HT MET 1 12.709 -4.761 -1.312 2 2H MET 1 2HT MET 1 11.423 -5.792 -0.831 3 3H MET 1 3HT MET 1 11.219 -4.088 -0.796 4 HA MET 1 HA MET 1 10.103 -4.820 -2.662 5 1HB MET 1 2HB MET 1 12.697 -3.436 -2.948 6 2HB MET 1 1HB MET 1 12.012 -4.046 -4.447 7 1HG MET 1 2HG MET 1 11.169 -1.909 -4.345 8 2HG MET 1 1HG MET 1 9.853 -2.867 -3.668 9 1HE MET 1 1HE MET 1 9.003 -2.920 -1.734 10 2HE MET 1 2HE MET 1 8.759 -1.324 -1.022 11 3HE MET 1 3HE MET 1 9.751 -2.520 -0.187 12 H ARG 2 H ARG 2 13.381 -6.170 -2.564 13 HA ARG 2 HA ARG 2 13.062 -7.883 -4.798 14 1HB ARG 2 2HB ARG 2 15.182 -7.110 -3.289 15 2HB ARG 2 1HB ARG 2 14.930 -8.738 -2.674 16 1HG ARG 2 2HG ARG 2 16.431 -9.084 -4.385 17 2HG ARG 2 1HG ARG 2 14.887 -9.407 -5.177 18 1HD ARG 2 2HD ARG 2 14.872 -7.138 -6.080 19 2HD ARG 2 1HD ARG 2 16.405 -6.802 -5.275 20 HE ARG 2 HE ARG 2 16.840 -9.024 -6.846 21 1HH1 ARG 2 1HH1 ARG 2 15.864 -5.707 -7.376 22 2HH1 ARG 2 2HH1 ARG 2 16.561 -5.629 -8.958 23 1HH2 ARG 2 1HH2 ARG 2 17.753 -8.913 -8.925 24 2HH2 ARG 2 2HH2 ARG 2 17.631 -7.446 -9.838 25 H LYS 3 H LYS 3 12.913 -8.510 -1.295 26 HA LYS 3 HA LYS 3 10.800 -10.368 -1.536 27 1HB LYS 3 2HB LYS 3 12.072 -12.404 -0.819 28 2HB LYS 3 1HB LYS 3 12.400 -11.882 -2.465 29 1HG LYS 3 2HG LYS 3 14.444 -10.718 -1.570 30 2HG LYS 3 1HG LYS 3 14.148 -11.550 -0.044 31 1HD LYS 3 2HD LYS 3 14.667 -13.612 -0.909 32 2HD LYS 3 1HD LYS 3 14.224 -13.151 -2.554 33 1HE LYS 3 2HE LYS 3 16.517 -11.735 -1.328 34 2HE LYS 3 1HE LYS 3 16.759 -13.429 -1.753 35 1HZ LYS 3 1HZ LYS 3 15.986 -11.204 -3.554 36 2HZ LYS 3 2HZ LYS 3 15.895 -12.831 -4.009 37 3HZ LYS 3 3HZ LYS 3 17.391 -12.145 -3.615 38 H LEU 4 H LEU 4 9.845 -9.424 0.187 39 HA LEU 4 HA LEU 4 11.251 -9.639 2.770 40 1HB LEU 4 2HB LEU 4 9.164 -7.549 2.369 41 2HB LEU 4 1HB LEU 4 10.524 -7.566 3.472 42 HG LEU 4 HG LEU 4 10.718 -7.110 0.491 43 1HD1 LEU 4 1HD1 LEU 4 11.209 -4.800 1.073 44 2HD1 LEU 4 2HD1 LEU 4 10.953 -5.163 2.780 45 3HD1 LEU 4 3HD1 LEU 4 9.607 -5.265 1.645 46 1HD2 LEU 4 1HD2 LEU 4 12.708 -7.462 2.657 47 2HD2 LEU 4 2HD2 LEU 4 13.028 -6.205 1.461 48 3HD2 LEU 4 3HD2 LEU 4 12.806 -7.877 0.945 49 H SER 5 H SER 5 10.054 -10.339 4.519 50 HA SER 5 HA SER 5 7.894 -12.066 4.031 51 1HB SER 5 2HB SER 5 8.430 -10.831 6.724 52 2HB SER 5 1HB SER 5 7.846 -12.454 6.354 53 HG SER 5 HG SER 5 9.903 -12.951 5.547 54 H ASP 6 H ASP 6 5.690 -11.899 4.928 55 HA ASP 6 HA ASP 6 4.330 -9.667 3.985 56 1HB ASP 6 2HB ASP 6 3.221 -11.251 6.295 57 2HB ASP 6 1HB ASP 6 2.366 -10.527 4.944 58 H GLU 7 H GLU 7 5.898 -10.198 7.042 59 HA GLU 7 HA GLU 7 4.632 -8.093 8.459 60 1HB GLU 7 2HB GLU 7 6.852 -9.934 8.896 61 2HB GLU 7 1HB GLU 7 7.172 -8.341 9.566 62 1HG GLU 7 2HG GLU 7 5.617 -8.556 11.177 63 2HG GLU 7 1HG GLU 7 4.511 -9.459 10.143 64 H LEU 8 H LEU 8 7.463 -8.274 6.404 65 HA LEU 8 HA LEU 8 8.193 -5.521 6.867 66 1HB LEU 8 2HB LEU 8 9.259 -7.758 5.224 67 2HB LEU 8 1HB LEU 8 9.706 -6.117 4.796 68 HG LEU 8 HG LEU 8 11.334 -7.297 6.276 69 1HD1 LEU 8 1HD1 LEU 8 11.363 -4.901 6.132 70 2HD1 LEU 8 2HD1 LEU 8 11.644 -5.385 7.804 71 3HD1 LEU 8 3HD1 LEU 8 10.062 -4.780 7.315 72 1HD2 LEU 8 1HD2 LEU 8 9.290 -8.257 7.647 73 2HD2 LEU 8 2HD2 LEU 8 9.554 -6.794 8.596 74 3HD2 LEU 8 3HD2 LEU 8 10.856 -7.968 8.404 75 H LEU 9 H LEU 9 6.552 -7.395 4.388 76 HA LEU 9 HA LEU 9 6.383 -5.235 2.525 77 1HB LEU 9 2HB LEU 9 6.302 -7.737 2.016 78 2HB LEU 9 1HB LEU 9 4.636 -7.680 2.559 79 HG LEU 9 HG LEU 9 4.148 -6.010 0.790 80 1HD1 LEU 9 1HD1 LEU 9 6.375 -5.070 0.539 81 2HD1 LEU 9 2HD1 LEU 9 5.781 -5.682 -1.004 82 3HD1 LEU 9 3HD1 LEU 9 6.971 -6.607 -0.087 83 1HD2 LEU 9 1HD2 LEU 9 5.377 -8.563 -0.243 84 2HD2 LEU 9 2HD2 LEU 9 4.152 -7.581 -1.046 85 3HD2 LEU 9 3HD2 LEU 9 3.763 -8.424 0.454 86 H ILE 10 H ILE 10 4.267 -6.572 4.995 87 HA ILE 10 HA ILE 10 2.043 -4.948 4.246 88 HB ILE 10 HB ILE 10 2.561 -6.521 6.766 89 1HG1 ILE 10 2HG1 ILE 10 0.587 -7.134 4.583 90 2HG1 ILE 10 1HG1 ILE 10 2.265 -7.654 4.465 91 1HG2 ILE 10 1HG2 ILE 10 0.967 -5.099 7.571 92 2HG2 ILE 10 2HG2 ILE 10 -0.080 -6.283 6.791 93 3HG2 ILE 10 3HG2 ILE 10 0.298 -4.767 5.973 94 1HD1 ILE 10 1HD1 ILE 10 0.586 -8.301 6.847 95 2HD1 ILE 10 2HD1 ILE 10 2.068 -9.076 6.293 96 3HD1 ILE 10 3HD1 ILE 10 0.571 -9.300 5.397 97 H GLU 11 H GLU 11 4.606 -4.741 6.654 98 HA GLU 11 HA GLU 11 3.643 -2.474 8.009 99 1HB GLU 11 2HB GLU 11 6.250 -3.850 7.753 100 2HB GLU 11 1HB GLU 11 6.311 -2.179 8.277 101 1HG GLU 11 2HG GLU 11 6.263 -3.803 10.136 102 2HG GLU 11 1HG GLU 11 4.929 -2.652 10.170 103 H SER 12 H SER 12 5.272 -2.873 4.956 104 HA SER 12 HA SER 12 6.049 -0.120 4.688 105 1HB SER 12 2HB SER 12 6.948 -2.262 3.442 106 2HB SER 12 1HB SER 12 5.631 -1.918 2.322 107 HG SER 12 HG SER 12 7.572 -0.004 3.100 108 H TYR 13 H TYR 13 3.390 -2.136 3.524 109 HA TYR 13 HA TYR 13 2.085 -0.093 2.048 110 1HB TYR 13 2HB TYR 13 1.670 -2.516 1.706 111 2HB TYR 13 1HB TYR 13 0.911 -2.593 3.290 112 HD1 TYR 13 1HD TYR 13 0.619 -0.944 -0.032 113 HD2 TYR 13 2HD TYR 13 -1.372 -2.159 3.526 114 HE1 TYR 13 1HE TYR 13 -1.541 -0.342 -1.041 115 HE2 TYR 13 2HE TYR 13 -3.538 -1.562 2.525 116 HH TYR 13 HH TYR 13 -4.028 0.363 0.216 117 H PHE 14 H PHE 14 1.861 -1.293 5.342 118 HA PHE 14 HA PHE 14 -0.365 0.331 6.075 119 1HB PHE 14 2HB PHE 14 1.656 -1.234 7.658 120 2HB PHE 14 1HB PHE 14 0.375 -0.320 8.429 121 HD1 PHE 14 1HD PHE 14 -0.857 -1.606 5.377 122 HD2 PHE 14 2HD PHE 14 0.099 -2.764 9.363 123 HE1 PHE 14 1HE PHE 14 -2.344 -3.552 5.165 124 HE2 PHE 14 2HE PHE 14 -1.389 -4.711 9.153 125 HZ PHE 14 HZ PHE 14 -2.611 -5.115 7.050 126 H LYS 15 H LYS 15 3.139 0.618 6.391 127 HA LYS 15 HA LYS 15 3.134 2.981 7.945 128 1HB LYS 15 2HB LYS 15 5.173 1.619 6.218 129 2HB LYS 15 1HB LYS 15 5.499 3.213 6.874 130 1HG LYS 15 2HG LYS 15 4.687 0.904 8.610 131 2HG LYS 15 1HG LYS 15 6.369 1.239 8.193 132 1HD LYS 15 2HD LYS 15 6.324 2.497 10.061 133 2HD LYS 15 1HD LYS 15 5.553 3.688 9.011 134 1HE LYS 15 2HE LYS 15 3.478 3.334 9.904 135 2HE LYS 15 1HE LYS 15 3.826 1.658 10.324 136 1HZ LYS 15 1HZ LYS 15 5.422 2.689 12.026 137 2HZ LYS 15 2HZ LYS 15 3.764 2.727 12.359 138 3HZ LYS 15 3HZ LYS 15 4.543 4.116 11.788 139 H ALA 16 H ALA 16 3.485 2.405 4.464 140 HA ALA 16 HA ALA 16 3.787 5.061 3.677 141 1HB ALA 16 1HB ALA 16 4.306 3.328 2.132 142 2HB ALA 16 2HB ALA 16 2.975 4.258 1.444 143 3HB ALA 16 3HB ALA 16 2.662 2.695 2.198 144 H THR 17 H THR 17 0.872 3.197 4.326 145 HA THR 17 HA THR 17 -0.919 5.131 3.253 146 HB THR 17 HB THR 17 -2.654 3.895 4.533 147 HG1 THR 17 1HG THR 17 -2.044 2.144 5.774 148 1HG2 THR 17 1HG2 THR 17 -2.559 2.769 2.600 149 2HG2 THR 17 2HG2 THR 17 -1.839 1.512 3.607 150 3HG2 THR 17 3HG2 THR 17 -0.806 2.587 2.664 151 H GLU 18 H GLU 18 0.612 4.648 6.357 152 HA GLU 18 HA GLU 18 -1.010 6.559 7.742 153 1HB GLU 18 2HB GLU 18 1.126 4.700 8.393 154 2HB GLU 18 1HB GLU 18 1.324 6.238 9.221 155 1HG GLU 18 2HG GLU 18 -1.118 5.978 9.915 156 2HG GLU 18 1HG GLU 18 -0.956 4.301 9.392 157 H MET 19 H MET 19 2.257 6.569 6.387 158 HA MET 19 HA MET 19 2.678 9.326 7.118 159 1HB MET 19 2HB MET 19 4.864 9.053 6.206 160 2HB MET 19 1HB MET 19 4.485 7.610 7.124 161 1HG MET 19 2HG MET 19 4.112 6.355 5.144 162 2HG MET 19 1HG MET 19 4.187 7.802 4.141 163 1HE MET 19 1HE MET 19 7.319 4.946 4.369 164 2HE MET 19 2HE MET 19 5.567 4.849 4.533 165 3HE MET 19 3HE MET 19 6.577 5.010 5.968 166 H ASN 20 H ASN 20 1.285 7.700 4.464 167 HA ASN 20 HA ASN 20 0.321 8.487 2.555 168 1HB ASN 20 2HB ASN 20 1.442 11.225 3.118 169 2HB ASN 20 1HB ASN 20 0.037 10.806 2.146 170 1HD2 ASN 20 1HD2 ASN 20 0.673 12.419 4.721 171 2HD2 ASN 20 2HD2 ASN 20 -0.616 11.967 5.777 172 H LEU 21 H LEU 21 2.856 7.312 2.658 173 HA LEU 21 HA LEU 21 4.892 8.575 1.247 174 1HB LEU 21 2HB LEU 21 4.739 6.255 2.456 175 2HB LEU 21 1HB LEU 21 4.312 5.661 0.865 176 HG LEU 21 HG LEU 21 6.813 7.264 1.258 177 1HD1 LEU 21 1HD1 LEU 21 7.725 5.726 2.563 178 2HD1 LEU 21 2HD1 LEU 21 7.512 4.541 1.276 179 3HD1 LEU 21 3HD1 LEU 21 6.263 4.744 2.504 180 1HD2 LEU 21 1HD2 LEU 21 5.554 5.858 -0.902 181 2HD2 LEU 21 2HD2 LEU 21 7.119 5.125 -0.555 182 3HD2 LEU 21 3HD2 LEU 21 7.014 6.845 -0.917 183 H ASN 22 H ASN 22 5.590 8.240 -0.988 184 HA ASN 22 HA ASN 22 3.886 9.089 -2.918 185 1HB ASN 22 2HB ASN 22 6.411 8.749 -3.054 186 2HB ASN 22 1HB ASN 22 6.057 7.097 -3.549 187 1HD2 ASN 22 1HD2 ASN 22 7.365 8.060 -5.402 188 2HD2 ASN 22 2HD2 ASN 22 6.448 8.742 -6.698 189 H ARG 23 H ARG 23 2.395 8.295 -4.291 190 HA ARG 23 HA ARG 23 0.973 5.987 -3.687 191 1HB ARG 23 2HB ARG 23 0.129 7.942 -4.993 192 2HB ARG 23 1HB ARG 23 1.058 7.366 -6.370 193 1HG ARG 23 2HG ARG 23 -0.882 6.378 -6.919 194 2HG ARG 23 1HG ARG 23 -0.335 5.141 -5.786 195 1HD ARG 23 2HD ARG 23 -1.610 6.203 -3.999 196 2HD ARG 23 1HD ARG 23 -2.134 7.466 -5.110 197 HE ARG 23 HE ARG 23 -2.895 5.070 -6.251 198 1HH1 ARG 23 1HH1 ARG 23 -3.587 6.813 -3.296 199 2HH1 ARG 23 2HH1 ARG 23 -5.181 6.154 -3.142 200 1HH2 ARG 23 1HH2 ARG 23 -4.989 4.211 -6.039 201 2HH2 ARG 23 2HH2 ARG 23 -5.976 4.680 -4.694 202 H ASP 24 H ASP 24 3.696 6.432 -5.829 203 HA ASP 24 HA ASP 24 3.410 4.039 -7.282 204 1HB ASP 24 2HB ASP 24 5.684 5.910 -6.745 205 2HB ASP 24 1HB ASP 24 6.021 4.351 -7.492 206 H PHE 25 H PHE 25 4.883 4.757 -4.186 207 HA PHE 25 HA PHE 25 6.112 2.190 -3.886 208 1HB PHE 25 2HB PHE 25 6.656 4.463 -2.685 209 2HB PHE 25 1HB PHE 25 5.403 3.949 -1.561 210 HD1 PHE 25 1HD PHE 25 8.321 2.377 -3.285 211 HD2 PHE 25 2HD PHE 25 6.178 2.959 0.347 212 HE1 PHE 25 1HE PHE 25 9.965 0.986 -2.096 213 HE2 PHE 25 2HE PHE 25 7.820 1.570 1.542 214 HZ PHE 25 HZ PHE 25 9.717 0.581 0.321 215 H ILE 26 H ILE 26 3.165 3.765 -2.755 216 HA ILE 26 HA ILE 26 2.177 1.675 -1.166 217 HB ILE 26 HB ILE 26 0.706 3.823 -2.703 218 1HG1 ILE 26 2HG1 ILE 26 1.565 3.605 0.191 219 2HG1 ILE 26 1HG1 ILE 26 2.226 4.699 -1.019 220 1HG2 ILE 26 1HG2 ILE 26 -1.189 2.738 -2.225 221 2HG2 ILE 26 2HG2 ILE 26 -0.865 3.054 -0.520 222 3HG2 ILE 26 3HG2 ILE 26 -0.331 1.542 -1.255 223 1HD1 ILE 26 1HD1 ILE 26 -0.037 5.751 -1.172 224 2HD1 ILE 26 2HD1 ILE 26 0.777 5.951 0.379 225 3HD1 ILE 26 3HD1 ILE 26 -0.516 4.764 0.208 226 H GLU 27 H GLU 27 1.671 2.441 -4.603 227 HA GLU 27 HA GLU 27 -0.043 0.232 -5.087 228 1HB GLU 27 2HB GLU 27 0.573 2.445 -6.500 229 2HB GLU 27 1HB GLU 27 1.608 1.283 -7.317 230 1HG GLU 27 2HG GLU 27 -0.123 0.198 -8.265 231 2HG GLU 27 1HG GLU 27 -1.179 0.438 -6.875 232 H LEU 28 H LEU 28 3.406 0.717 -5.150 233 HA LEU 28 HA LEU 28 4.089 -1.692 -6.481 234 1HB LEU 28 2HB LEU 28 5.755 -0.073 -6.527 235 2HB LEU 28 1HB LEU 28 5.524 0.362 -4.848 236 HG LEU 28 HG LEU 28 6.692 -2.312 -5.526 237 1HD1 LEU 28 1HD1 LEU 28 8.003 -0.791 -6.852 238 2HD1 LEU 28 2HD1 LEU 28 8.932 -1.259 -5.429 239 3HD1 LEU 28 3HD1 LEU 28 8.154 0.323 -5.493 240 1HD2 LEU 28 1HD2 LEU 28 7.989 -1.578 -3.386 241 2HD2 LEU 28 2HD2 LEU 28 6.328 -2.153 -3.248 242 3HD2 LEU 28 3HD2 LEU 28 6.668 -0.424 -3.211 243 H ILE 29 H ILE 29 3.880 -0.779 -3.057 244 HA ILE 29 HA ILE 29 4.640 -3.344 -2.084 245 HB ILE 29 HB ILE 29 3.030 -1.231 -0.640 246 1HG1 ILE 29 2HG1 ILE 29 5.955 -1.548 -0.201 247 2HG1 ILE 29 1HG1 ILE 29 5.449 -0.746 -1.682 248 1HG2 ILE 29 1HG2 ILE 29 3.162 -3.607 0.278 249 2HG2 ILE 29 2HG2 ILE 29 3.626 -2.296 1.360 250 3HG2 ILE 29 3HG2 ILE 29 4.867 -3.270 0.572 251 1HD1 ILE 29 1HD1 ILE 29 5.782 0.414 0.802 252 2HD1 ILE 29 2HD1 ILE 29 4.033 0.272 0.621 253 3HD1 ILE 29 3HD1 ILE 29 4.978 1.130 -0.596 254 H GLU 30 H GLU 30 1.628 -1.828 -3.001 255 HA GLU 30 HA GLU 30 -0.043 -3.893 -1.906 256 1HB GLU 30 2HB GLU 30 -0.620 -1.400 -2.458 257 2HB GLU 30 1HB GLU 30 -0.932 -2.021 -4.072 258 1HG GLU 30 2HG GLU 30 -2.465 -3.710 -2.939 259 2HG GLU 30 1HG GLU 30 -2.331 -2.687 -1.509 260 H ASN 31 H ASN 31 1.494 -3.206 -4.970 261 HA ASN 31 HA ASN 31 0.031 -5.097 -6.507 262 1HB ASN 31 2HB ASN 31 2.533 -3.508 -6.890 263 2HB ASN 31 1HB ASN 31 2.226 -4.857 -7.976 264 1HD2 ASN 31 1HD2 ASN 31 1.745 -3.820 -9.812 265 2HD2 ASN 31 2HD2 ASN 31 0.436 -2.709 -10.002 266 H GLU 32 H GLU 32 2.845 -5.301 -4.460 267 HA GLU 32 HA GLU 32 3.598 -7.921 -5.416 268 1HB GLU 32 2HB GLU 32 5.131 -6.108 -4.342 269 2HB GLU 32 1HB GLU 32 4.524 -6.731 -2.814 270 1HG GLU 32 2HG GLU 32 6.302 -8.085 -2.958 271 2HG GLU 32 1HG GLU 32 5.245 -9.032 -4.005 272 H ILE 33 H ILE 33 2.042 -6.534 -2.573 273 HA ILE 33 HA ILE 33 1.602 -8.949 -1.183 274 HB ILE 33 HB ILE 33 0.081 -6.329 -1.103 275 1HG1 ILE 33 2HG1 ILE 33 2.079 -7.342 0.908 276 2HG1 ILE 33 1HG1 ILE 33 2.577 -6.419 -0.505 277 1HG2 ILE 33 1HG2 ILE 33 0.090 -8.320 1.135 278 2HG2 ILE 33 2HG2 ILE 33 -1.095 -8.438 -0.163 279 3HG2 ILE 33 3HG2 ILE 33 -1.023 -6.988 0.833 280 1HD1 ILE 33 1HD1 ILE 33 2.350 -5.014 1.473 281 2HD1 ILE 33 2HD1 ILE 33 0.654 -5.477 1.609 282 3HD1 ILE 33 3HD1 ILE 33 1.206 -4.549 0.215 283 H LYS 34 H LYS 34 -0.105 -7.304 -3.772 284 HA LYS 34 HA LYS 34 -2.501 -8.834 -3.588 285 1HB LYS 34 2HB LYS 34 -1.346 -6.828 -5.413 286 2HB LYS 34 1HB LYS 34 -2.432 -7.974 -6.183 287 1HG LYS 34 2HG LYS 34 -4.196 -7.389 -4.622 288 2HG LYS 34 1HG LYS 34 -3.105 -6.286 -3.782 289 1HD LYS 34 2HD LYS 34 -2.839 -5.207 -6.145 290 2HD LYS 34 1HD LYS 34 -4.369 -6.023 -6.477 291 1HE LYS 34 2HE LYS 34 -5.138 -4.927 -4.253 292 2HE LYS 34 1HE LYS 34 -3.768 -3.848 -4.511 293 1HZ LYS 34 1HZ LYS 34 -5.566 -4.263 -6.768 294 2HZ LYS 34 2HZ LYS 34 -4.758 -2.863 -6.272 295 3HZ LYS 34 3HZ LYS 34 -6.168 -3.350 -5.476 296 H ARG 35 H ARG 35 0.353 -9.007 -5.715 297 HA ARG 35 HA ARG 35 -0.537 -11.351 -7.069 298 1HB ARG 35 2HB ARG 35 1.317 -9.530 -7.664 299 2HB ARG 35 1HB ARG 35 2.367 -10.716 -6.902 300 1HG ARG 35 2HG ARG 35 2.364 -11.119 -9.249 301 2HG ARG 35 1HG ARG 35 1.471 -12.425 -8.469 302 1HD ARG 35 2HD ARG 35 -0.092 -11.995 -10.021 303 2HD ARG 35 1HD ARG 35 -0.519 -10.643 -8.974 304 HE ARG 35 HE ARG 35 0.235 -9.225 -10.589 305 1HH1 ARG 35 1HH1 ARG 35 1.643 -12.373 -11.178 306 2HH1 ARG 35 2HH1 ARG 35 2.375 -11.899 -12.672 307 1HH2 ARG 35 1HH2 ARG 35 1.201 -8.611 -12.554 308 2HH2 ARG 35 2HH2 ARG 35 2.125 -9.767 -13.454 309 H ARG 36 H ARG 36 1.089 -10.762 -4.075 310 HA ARG 36 HA ARG 36 2.177 -13.418 -3.831 311 1HB ARG 36 2HB ARG 36 2.124 -10.951 -2.158 312 2HB ARG 36 1HB ARG 36 2.462 -12.483 -1.370 313 1HG ARG 36 2HG ARG 36 4.178 -12.693 -3.391 314 2HG ARG 36 1HG ARG 36 4.090 -10.934 -3.292 315 1HD ARG 36 2HD ARG 36 4.981 -10.877 -1.165 316 2HD ARG 36 1HD ARG 36 4.483 -12.528 -0.799 317 HE ARG 36 HE ARG 36 6.349 -12.700 -2.834 318 1HH1 ARG 36 1HH1 ARG 36 6.276 -11.562 0.474 319 2HH1 ARG 36 2HH1 ARG 36 7.946 -11.917 0.758 320 1HH2 ARG 36 1HH2 ARG 36 8.541 -13.164 -2.450 321 2HH2 ARG 36 2HH2 ARG 36 9.231 -12.822 -0.898 322 H SER 37 H SER 37 -0.942 -12.481 -3.760 323 HA SER 37 HA SER 37 -2.848 -13.345 -2.869 324 1HB SER 37 2HB SER 37 -1.524 -15.503 -3.424 325 2HB SER 37 1HB SER 37 -1.235 -15.598 -1.686 326 HG SER 37 HG SER 37 -3.290 -16.051 -1.351 327 H LEU 38 H LEU 38 -1.279 -11.481 -1.392 328 HA LEU 38 HA LEU 38 -1.948 -12.216 1.387 329 1HB LEU 38 2HB LEU 38 0.488 -11.890 0.757 330 2HB LEU 38 1HB LEU 38 0.107 -10.200 0.509 331 HG LEU 38 HG LEU 38 -0.741 -10.247 2.945 332 1HD1 LEU 38 1HD1 LEU 38 0.594 -12.886 2.686 333 2HD1 LEU 38 2HD1 LEU 38 -0.808 -12.415 3.645 334 3HD1 LEU 38 3HD1 LEU 38 0.815 -11.981 4.182 335 1HD2 LEU 38 1HD2 LEU 38 2.177 -10.648 2.968 336 2HD2 LEU 38 2HD2 LEU 38 1.214 -9.280 3.526 337 3HD2 LEU 38 3HD2 LEU 38 1.575 -9.463 1.810 338 H GLY 39 H GLY 39 -3.156 -10.452 -1.103 339 1HA GLY 39 2HA GLY 39 -3.532 -7.875 -0.130 340 2HA GLY 39 1HA GLY 39 -4.634 -8.693 -1.213 341 H HIS 40 H HIS 40 -4.998 -10.849 0.888 342 HA HIS 40 HA HIS 40 -7.336 -9.830 2.065 343 1HB HIS 40 2HB HIS 40 -6.586 -12.284 1.626 344 2HB HIS 40 1HB HIS 40 -5.861 -12.153 3.221 345 HD1 HIS 40 1HD HIS 40 -9.258 -11.783 1.577 346 HD2 HIS 40 2HD HIS 40 -7.573 -12.642 5.277 347 HE1 HIS 40 1HE HIS 40 -11.186 -12.418 3.062 348 HE2 HIS 40 2HE HIS 40 -10.132 -13.018 5.270 349 H ILE 41 H ILE 41 -4.048 -9.509 2.989 350 HA ILE 41 HA ILE 41 -4.602 -9.110 5.795 351 HB ILE 41 HB ILE 41 -2.443 -10.080 4.705 352 1HG1 ILE 41 2HG1 ILE 41 -1.105 -9.337 6.619 353 2HG1 ILE 41 1HG1 ILE 41 -2.279 -8.067 6.949 354 1HG2 ILE 41 1HG2 ILE 41 -0.717 -8.646 4.081 355 2HG2 ILE 41 2HG2 ILE 41 -1.507 -7.237 4.780 356 3HG2 ILE 41 3HG2 ILE 41 -2.137 -7.957 3.302 357 1HD1 ILE 41 1HD1 ILE 41 -3.307 -10.829 6.784 358 2HD1 ILE 41 2HD1 ILE 41 -3.764 -9.507 7.860 359 3HD1 ILE 41 3HD1 ILE 41 -2.294 -10.431 8.172 360 H ILE 42 H ILE 42 -3.928 -7.184 2.951 361 HA ILE 42 HA ILE 42 -3.837 -4.675 4.379 362 HB ILE 42 HB ILE 42 -3.853 -3.691 2.035 363 1HG1 ILE 42 2HG1 ILE 42 -3.340 -6.518 1.175 364 2HG1 ILE 42 1HG1 ILE 42 -4.935 -5.792 1.079 365 1HG2 ILE 42 1HG2 ILE 42 -1.695 -5.704 2.603 366 2HG2 ILE 42 2HG2 ILE 42 -1.800 -4.099 3.329 367 3HG2 ILE 42 3HG2 ILE 42 -1.563 -4.268 1.589 368 1HD1 ILE 42 1HD1 ILE 42 -3.878 -5.635 -1.061 369 2HD1 ILE 42 2HD1 ILE 42 -2.445 -4.896 -0.345 370 3HD1 ILE 42 3HD1 ILE 42 -3.975 -4.018 -0.363 371 H SER 43 H SER 43 -5.288 -2.898 3.935 372 HA SER 43 HA SER 43 -8.056 -3.796 3.743 373 1HB SER 43 2HB SER 43 -7.141 -2.198 5.564 374 2HB SER 43 1HB SER 43 -7.174 -0.967 4.301 375 HG SER 43 HG SER 43 -9.441 -1.581 4.027 376 H VAL 44 H VAL 44 -7.668 -4.259 1.430 377 HA VAL 44 HA VAL 44 -7.263 -2.075 -0.388 378 HB VAL 44 HB VAL 44 -8.471 -4.642 -1.331 379 1HG1 VAL 44 1HG1 VAL 44 -6.110 -3.212 -2.476 380 2HG1 VAL 44 2HG1 VAL 44 -7.744 -2.602 -2.738 381 3HG1 VAL 44 3HG1 VAL 44 -7.308 -4.221 -3.286 382 1HG2 VAL 44 1HG2 VAL 44 -5.860 -5.298 -1.440 383 2HG2 VAL 44 2HG2 VAL 44 -6.947 -5.813 -0.148 384 3HG2 VAL 44 3HG2 VAL 44 -5.902 -4.413 0.085 385 H SER 45 H SER 45 -8.737 -0.972 -1.601 386 HA SER 45 HA SER 45 -11.448 -0.948 -0.627 387 1HB SER 45 2HB SER 45 -10.507 0.613 -3.017 388 2HB SER 45 1HB SER 45 -11.711 1.055 -1.807 389 HG SER 45 HG SER 45 -9.769 2.193 -1.485 390 H SER 46 H SER 46 -12.338 -2.918 -1.238 391 HA SER 46 HA SER 46 -12.791 -3.236 -4.133 392 1HB SER 46 2HB SER 46 -11.394 -5.056 -3.485 393 2HB SER 46 1HB SER 46 -12.336 -5.350 -2.025 394 HG SER 46 HG SER 46 -12.663 -6.439 -4.403 Start of MODEL 18 1 1H MET 1 1HT MET 1 12.155 -3.637 -0.763 2 2H MET 1 2HT MET 1 13.559 -4.213 -1.566 3 3H MET 1 3HT MET 1 12.462 -5.322 -0.850 4 HA MET 1 HA MET 1 10.751 -4.388 -2.387 5 1HB MET 1 2HB MET 1 12.740 -2.575 -2.884 6 2HB MET 1 1HB MET 1 12.922 -3.670 -4.248 7 1HG MET 1 2HG MET 1 10.439 -2.166 -3.457 8 2HG MET 1 1HG MET 1 11.471 -1.853 -4.850 9 1HE MET 1 1HE MET 1 7.799 -3.690 -4.543 10 2HE MET 1 2HE MET 1 8.873 -3.529 -3.154 11 3HE MET 1 3HE MET 1 8.617 -5.111 -3.892 12 H ARG 2 H ARG 2 13.886 -5.925 -2.538 13 HA ARG 2 HA ARG 2 13.159 -7.655 -4.734 14 1HB ARG 2 2HB ARG 2 15.575 -7.293 -3.012 15 2HB ARG 2 1HB ARG 2 15.386 -8.799 -3.900 16 1HG ARG 2 2HG ARG 2 15.394 -7.669 -5.986 17 2HG ARG 2 1HG ARG 2 15.261 -6.094 -5.204 18 1HD ARG 2 2HD ARG 2 17.507 -7.039 -4.037 19 2HD ARG 2 1HD ARG 2 17.613 -7.820 -5.615 20 HE ARG 2 HE ARG 2 18.008 -5.053 -5.036 21 1HH1 ARG 2 1HH1 ARG 2 16.922 -7.270 -7.516 22 2HH1 ARG 2 2HH1 ARG 2 17.294 -6.187 -8.814 23 1HH2 ARG 2 1HH2 ARG 2 18.493 -3.638 -6.749 24 2HH2 ARG 2 2HH2 ARG 2 18.184 -4.129 -8.381 25 H LYS 3 H LYS 3 13.849 -8.085 -1.264 26 HA LYS 3 HA LYS 3 11.958 -10.300 -1.194 27 1HB LYS 3 2HB LYS 3 14.894 -10.562 -0.827 28 2HB LYS 3 1HB LYS 3 13.868 -11.461 0.284 29 1HG LYS 3 2HG LYS 3 13.130 -11.699 -2.546 30 2HG LYS 3 1HG LYS 3 14.705 -12.372 -2.122 31 1HD LYS 3 2HD LYS 3 13.175 -13.312 -0.089 32 2HD LYS 3 1HD LYS 3 12.000 -13.281 -1.405 33 1HE LYS 3 2HE LYS 3 12.944 -15.405 -1.561 34 2HE LYS 3 1HE LYS 3 13.813 -14.471 -2.779 35 1HZ LYS 3 1HZ LYS 3 14.946 -14.590 -0.085 36 2HZ LYS 3 2HZ LYS 3 15.728 -14.517 -1.583 37 3HZ LYS 3 3HZ LYS 3 15.065 -15.977 -1.047 38 H LEU 4 H LEU 4 10.634 -9.863 0.430 39 HA LEU 4 HA LEU 4 11.715 -9.100 3.024 40 1HB LEU 4 2HB LEU 4 9.386 -7.491 2.121 41 2HB LEU 4 1HB LEU 4 10.645 -7.089 3.268 42 HG LEU 4 HG LEU 4 11.210 -7.223 0.317 43 1HD1 LEU 4 1HD1 LEU 4 10.903 -4.749 0.322 44 2HD1 LEU 4 2HD1 LEU 4 10.132 -4.902 1.901 45 3HD1 LEU 4 3HD1 LEU 4 9.409 -5.670 0.487 46 1HD2 LEU 4 1HD2 LEU 4 13.226 -6.377 0.833 47 2HD2 LEU 4 2HD2 LEU 4 12.881 -7.002 2.446 48 3HD2 LEU 4 3HD2 LEU 4 12.573 -5.306 2.073 49 H SER 5 H SER 5 10.477 -9.778 4.726 50 HA SER 5 HA SER 5 8.611 -11.848 4.283 51 1HB SER 5 2HB SER 5 9.038 -10.255 6.820 52 2HB SER 5 1HB SER 5 8.300 -11.852 6.695 53 HG SER 5 HG SER 5 10.667 -11.617 7.268 54 H ASP 6 H ASP 6 6.358 -11.876 5.091 55 HA ASP 6 HA ASP 6 4.822 -9.863 3.872 56 1HB ASP 6 2HB ASP 6 3.525 -11.363 6.098 57 2HB ASP 6 1HB ASP 6 2.941 -11.017 4.482 58 H GLU 7 H GLU 7 6.217 -10.091 7.033 59 HA GLU 7 HA GLU 7 4.563 -8.079 8.226 60 1HB GLU 7 2HB GLU 7 6.718 -9.832 9.056 61 2HB GLU 7 1HB GLU 7 6.966 -8.203 9.670 62 1HG GLU 7 2HG GLU 7 4.933 -8.225 10.848 63 2HG GLU 7 1HG GLU 7 4.360 -9.654 9.989 64 H LEU 8 H LEU 8 7.634 -8.175 6.561 65 HA LEU 8 HA LEU 8 8.247 -5.410 7.078 66 1HB LEU 8 2HB LEU 8 9.502 -7.615 5.525 67 2HB LEU 8 1HB LEU 8 9.953 -5.961 5.150 68 HG LEU 8 HG LEU 8 11.472 -7.099 6.755 69 1HD1 LEU 8 1HD1 LEU 8 11.847 -5.198 8.037 70 2HD1 LEU 8 2HD1 LEU 8 10.131 -4.800 8.113 71 3HD1 LEU 8 3HD1 LEU 8 11.020 -4.583 6.606 72 1HD2 LEU 8 1HD2 LEU 8 10.694 -7.314 9.099 73 2HD2 LEU 8 2HD2 LEU 8 9.907 -8.438 7.991 74 3HD2 LEU 8 3HD2 LEU 8 9.052 -6.996 8.540 75 H LEU 9 H LEU 9 6.860 -7.309 4.475 76 HA LEU 9 HA LEU 9 6.799 -5.161 2.590 77 1HB LEU 9 2HB LEU 9 6.868 -7.453 1.817 78 2HB LEU 9 1HB LEU 9 5.376 -7.818 2.662 79 HG LEU 9 HG LEU 9 4.266 -6.096 1.137 80 1HD1 LEU 9 1HD1 LEU 9 6.897 -6.442 -0.287 81 2HD1 LEU 9 2HD1 LEU 9 6.181 -4.941 0.303 82 3HD1 LEU 9 3HD1 LEU 9 5.440 -5.800 -1.046 83 1HD2 LEU 9 1HD2 LEU 9 5.404 -8.665 0.045 84 2HD2 LEU 9 2HD2 LEU 9 4.134 -7.729 -0.744 85 3HD2 LEU 9 3HD2 LEU 9 3.850 -8.436 0.847 86 H ILE 10 H ILE 10 4.412 -6.689 4.708 87 HA ILE 10 HA ILE 10 2.285 -5.020 3.870 88 HB ILE 10 HB ILE 10 2.575 -6.687 6.363 89 1HG1 ILE 10 2HG1 ILE 10 0.858 -7.239 3.958 90 2HG1 ILE 10 1HG1 ILE 10 2.553 -7.716 3.995 91 1HG2 ILE 10 1HG2 ILE 10 0.931 -4.969 6.792 92 2HG2 ILE 10 2HG2 ILE 10 0.105 -6.504 6.524 93 3HG2 ILE 10 3HG2 ILE 10 0.144 -5.289 5.247 94 1HD1 ILE 10 1HD1 ILE 10 1.010 -8.512 6.341 95 2HD1 ILE 10 2HD1 ILE 10 2.162 -9.424 5.366 96 3HD1 ILE 10 3HD1 ILE 10 0.496 -9.245 4.825 97 H GLU 11 H GLU 11 4.692 -4.807 6.413 98 HA GLU 11 HA GLU 11 3.555 -2.654 7.831 99 1HB GLU 11 2HB GLU 11 6.289 -3.798 7.578 100 2HB GLU 11 1HB GLU 11 6.130 -2.209 8.289 101 1HG GLU 11 2HG GLU 11 4.815 -3.022 10.068 102 2HG GLU 11 1HG GLU 11 4.564 -4.573 9.267 103 H SER 12 H SER 12 5.348 -2.854 4.853 104 HA SER 12 HA SER 12 6.040 -0.089 4.697 105 1HB SER 12 2HB SER 12 5.673 -1.879 2.299 106 2HB SER 12 1HB SER 12 6.812 -0.551 2.519 107 HG SER 12 HG SER 12 8.128 -1.832 3.602 108 H TYR 13 H TYR 13 3.427 -2.083 3.385 109 HA TYR 13 HA TYR 13 2.112 0.002 1.990 110 1HB TYR 13 2HB TYR 13 1.699 -2.413 1.584 111 2HB TYR 13 1HB TYR 13 0.926 -2.527 3.159 112 HD1 TYR 13 1HD TYR 13 0.672 -0.744 -0.101 113 HD2 TYR 13 2HD TYR 13 -1.363 -2.144 3.363 114 HE1 TYR 13 1HE TYR 13 -1.478 -0.109 -1.114 115 HE2 TYR 13 2HE TYR 13 -3.518 -1.515 2.359 116 HH TYR 13 HH TYR 13 -4.439 -1.163 0.044 117 H PHE 14 H PHE 14 1.829 -1.303 5.243 118 HA PHE 14 HA PHE 14 -0.396 0.277 6.027 119 1HB PHE 14 2HB PHE 14 1.696 -1.226 7.578 120 2HB PHE 14 1HB PHE 14 0.381 -0.376 8.362 121 HD1 PHE 14 1HD PHE 14 0.244 -2.847 9.269 122 HD2 PHE 14 2HD PHE 14 -0.831 -1.678 5.316 123 HE1 PHE 14 1HE PHE 14 -1.155 -4.860 9.054 124 HE2 PHE 14 2HE PHE 14 -2.229 -3.685 5.101 125 HZ PHE 14 HZ PHE 14 -2.393 -5.286 6.965 126 H LYS 15 H LYS 15 3.099 0.596 6.491 127 HA LYS 15 HA LYS 15 3.029 2.968 8.007 128 1HB LYS 15 2HB LYS 15 5.107 1.544 6.399 129 2HB LYS 15 1HB LYS 15 5.430 3.185 6.911 130 1HG LYS 15 2HG LYS 15 6.206 1.132 8.348 131 2HG LYS 15 1HG LYS 15 5.648 2.615 9.108 132 1HD LYS 15 2HD LYS 15 3.678 1.663 9.831 133 2HD LYS 15 1HD LYS 15 3.671 0.448 8.552 134 1HE LYS 15 2HE LYS 15 5.044 -0.966 9.696 135 2HE LYS 15 1HE LYS 15 5.884 0.346 10.523 136 1HZ LYS 15 1HZ LYS 15 4.082 0.599 12.023 137 2HZ LYS 15 2HZ LYS 15 4.444 -1.052 11.972 138 3HZ LYS 15 3HZ LYS 15 3.096 -0.456 11.141 139 H ALA 16 H ALA 16 3.395 2.382 4.534 140 HA ALA 16 HA ALA 16 3.745 5.051 3.757 141 1HB ALA 16 1HB ALA 16 4.321 3.296 2.245 142 2HB ALA 16 2HB ALA 16 3.038 4.252 1.503 143 3HB ALA 16 3HB ALA 16 2.664 2.692 2.233 144 H THR 17 H THR 17 0.820 3.167 4.308 145 HA THR 17 HA THR 17 -0.950 5.070 3.161 146 HB THR 17 HB THR 17 -2.714 3.851 4.431 147 HG1 THR 17 1HG THR 17 -2.021 2.936 6.183 148 1HG2 THR 17 1HG2 THR 17 -2.653 2.625 2.581 149 2HG2 THR 17 2HG2 THR 17 -1.747 1.456 3.539 150 3HG2 THR 17 3HG2 THR 17 -0.890 2.621 2.531 151 H GLU 18 H GLU 18 0.491 4.668 6.319 152 HA GLU 18 HA GLU 18 -1.196 6.587 7.614 153 1HB GLU 18 2HB GLU 18 0.949 4.777 8.367 154 2HB GLU 18 1HB GLU 18 1.094 6.333 9.170 155 1HG GLU 18 2HG GLU 18 -1.403 6.011 9.736 156 2HG GLU 18 1HG GLU 18 -1.105 4.319 9.343 157 H MET 19 H MET 19 2.114 6.623 6.364 158 HA MET 19 HA MET 19 2.469 9.399 7.049 159 1HB MET 19 2HB MET 19 4.682 9.145 6.190 160 2HB MET 19 1HB MET 19 4.307 7.720 7.135 161 1HG MET 19 2HG MET 19 3.983 6.418 5.168 162 2HG MET 19 1HG MET 19 4.091 7.844 4.141 163 1HE MET 19 1HE MET 19 7.338 5.032 4.776 164 2HE MET 19 2HE MET 19 5.630 4.899 4.358 165 3HE MET 19 3HE MET 19 6.114 5.054 6.045 166 H ASN 20 H ASN 20 1.182 7.700 4.386 167 HA ASN 20 HA ASN 20 0.255 8.438 2.440 168 1HB ASN 20 2HB ASN 20 1.321 11.204 2.969 169 2HB ASN 20 1HB ASN 20 -0.059 10.740 1.982 170 1HD2 ASN 20 1HD2 ASN 20 0.921 11.906 4.937 171 2HD2 ASN 20 2HD2 ASN 20 -0.541 11.659 5.824 172 H LEU 21 H LEU 21 2.813 7.314 2.649 173 HA LEU 21 HA LEU 21 4.875 8.569 1.282 174 1HB LEU 21 2HB LEU 21 4.696 6.253 2.505 175 2HB LEU 21 1HB LEU 21 4.330 5.648 0.903 176 HG LEU 21 HG LEU 21 6.795 7.284 1.334 177 1HD1 LEU 21 1HD1 LEU 21 6.244 4.650 2.478 178 2HD1 LEU 21 2HD1 LEU 21 7.493 5.829 2.877 179 3HD1 LEU 21 3HD1 LEU 21 7.719 4.732 1.515 180 1HD2 LEU 21 1HD2 LEU 21 7.082 6.772 -0.812 181 2HD2 LEU 21 2HD2 LEU 21 5.624 5.782 -0.805 182 3HD2 LEU 21 3HD2 LEU 21 7.178 5.067 -0.377 183 H ASN 22 H ASN 22 5.659 8.168 -0.930 184 HA ASN 22 HA ASN 22 4.051 9.021 -2.931 185 1HB ASN 22 2HB ASN 22 6.578 8.562 -2.952 186 2HB ASN 22 1HB ASN 22 6.153 6.940 -3.491 187 1HD2 ASN 22 1HD2 ASN 22 7.662 8.139 -5.184 188 2HD2 ASN 22 2HD2 ASN 22 6.801 8.788 -6.534 189 H ARG 23 H ARG 23 2.528 8.263 -4.272 190 HA ARG 23 HA ARG 23 1.040 6.004 -3.685 191 1HB ARG 23 2HB ARG 23 0.506 8.084 -5.164 192 2HB ARG 23 1HB ARG 23 1.123 7.089 -6.475 193 1HG ARG 23 2HG ARG 23 -1.169 6.725 -6.527 194 2HG ARG 23 1HG ARG 23 -0.544 5.322 -5.660 195 1HD ARG 23 2HD ARG 23 -1.322 6.085 -3.610 196 2HD ARG 23 1HD ARG 23 -1.429 7.755 -4.162 197 HE ARG 23 HE ARG 23 -3.423 5.701 -4.438 198 1HH1 ARG 23 1HH1 ARG 23 -2.253 8.744 -5.709 199 2HH1 ARG 23 2HH1 ARG 23 -3.781 9.180 -6.395 200 1HH2 ARG 23 1HH2 ARG 23 -5.424 6.282 -5.344 201 2HH2 ARG 23 2HH2 ARG 23 -5.579 7.787 -6.189 202 H ASP 24 H ASP 24 3.883 6.287 -5.668 203 HA ASP 24 HA ASP 24 3.520 3.894 -7.136 204 1HB ASP 24 2HB ASP 24 5.292 5.961 -7.279 205 2HB ASP 24 1HB ASP 24 6.303 4.702 -6.576 206 H PHE 25 H PHE 25 4.964 4.609 -4.017 207 HA PHE 25 HA PHE 25 6.065 1.986 -3.659 208 1HB PHE 25 2HB PHE 25 6.717 4.250 -2.495 209 2HB PHE 25 1HB PHE 25 5.432 3.821 -1.371 210 HD1 PHE 25 1HD PHE 25 6.370 3.102 0.600 211 HD2 PHE 25 2HD PHE 25 8.050 1.795 -3.085 212 HE1 PHE 25 1HE PHE 25 7.933 1.652 1.829 213 HE2 PHE 25 2HE PHE 25 9.614 0.342 -1.863 214 HZ PHE 25 HZ PHE 25 9.557 0.269 0.598 215 H ILE 26 H ILE 26 3.181 3.720 -2.610 216 HA ILE 26 HA ILE 26 2.081 1.718 -0.975 217 HB ILE 26 HB ILE 26 0.741 3.903 -2.581 218 1HG1 ILE 26 2HG1 ILE 26 1.519 3.696 0.336 219 2HG1 ILE 26 1HG1 ILE 26 2.276 4.723 -0.876 220 1HG2 ILE 26 1HG2 ILE 26 -0.438 1.707 -1.110 221 2HG2 ILE 26 2HG2 ILE 26 -1.213 2.921 -2.127 222 3HG2 ILE 26 3HG2 ILE 26 -0.912 3.262 -0.423 223 1HD1 ILE 26 1HD1 ILE 26 0.364 6.111 -1.016 224 2HD1 ILE 26 2HD1 ILE 26 0.702 5.870 0.698 225 3HD1 ILE 26 3HD1 ILE 26 -0.607 4.978 -0.076 226 H GLU 27 H GLU 27 1.759 2.389 -4.441 227 HA GLU 27 HA GLU 27 -0.060 0.225 -4.892 228 1HB GLU 27 2HB GLU 27 0.603 2.452 -6.308 229 2HB GLU 27 1HB GLU 27 1.517 1.230 -7.176 230 1HG GLU 27 2HG GLU 27 -0.367 0.118 -7.880 231 2HG GLU 27 1HG GLU 27 -1.356 0.742 -6.560 232 H LEU 28 H LEU 28 3.394 0.686 -5.010 233 HA LEU 28 HA LEU 28 4.034 -1.707 -6.383 234 1HB LEU 28 2HB LEU 28 5.720 -0.095 -6.402 235 2HB LEU 28 1HB LEU 28 5.532 0.267 -4.700 236 HG LEU 28 HG LEU 28 6.611 -2.405 -5.509 237 1HD1 LEU 28 1HD1 LEU 28 8.002 0.232 -5.695 238 2HD1 LEU 28 2HD1 LEU 28 8.088 -1.161 -6.774 239 3HD1 LEU 28 3HD1 LEU 28 8.900 -1.205 -5.209 240 1HD2 LEU 28 1HD2 LEU 28 6.329 -2.338 -3.227 241 2HD2 LEU 28 2HD2 LEU 28 6.670 -0.610 -3.128 242 3HD2 LEU 28 3HD2 LEU 28 7.987 -1.756 -3.376 243 H ILE 29 H ILE 29 3.873 -0.861 -2.939 244 HA ILE 29 HA ILE 29 4.616 -3.451 -2.029 245 HB ILE 29 HB ILE 29 3.038 -1.360 -0.522 246 1HG1 ILE 29 2HG1 ILE 29 5.971 -1.709 -0.143 247 2HG1 ILE 29 1HG1 ILE 29 5.438 -0.853 -1.586 248 1HG2 ILE 29 1HG2 ILE 29 3.693 -2.469 1.448 249 2HG2 ILE 29 2HG2 ILE 29 4.866 -3.466 0.593 250 3HG2 ILE 29 3HG2 ILE 29 3.141 -3.735 0.355 251 1HD1 ILE 29 1HD1 ILE 29 5.788 0.179 0.978 252 2HD1 ILE 29 2HD1 ILE 29 4.044 0.126 0.722 253 3HD1 ILE 29 3HD1 ILE 29 5.077 0.989 -0.417 254 H GLU 30 H GLU 30 1.603 -1.906 -2.893 255 HA GLU 30 HA GLU 30 -0.070 -3.980 -1.816 256 1HB GLU 30 2HB GLU 30 -0.672 -1.499 -2.303 257 2HB GLU 30 1HB GLU 30 -0.923 -2.048 -3.954 258 1HG GLU 30 2HG GLU 30 -2.344 -3.886 -2.534 259 2HG GLU 30 1HG GLU 30 -2.568 -2.428 -1.570 260 H ASN 31 H ASN 31 1.465 -3.256 -4.871 261 HA ASN 31 HA ASN 31 0.011 -5.140 -6.428 262 1HB ASN 31 2HB ASN 31 2.501 -3.525 -6.796 263 2HB ASN 31 1HB ASN 31 2.197 -4.863 -7.899 264 1HD2 ASN 31 1HD2 ASN 31 2.248 -1.953 -8.338 265 2HD2 ASN 31 2HD2 ASN 31 0.718 -1.564 -9.041 266 H GLU 32 H GLU 32 2.796 -5.341 -4.347 267 HA GLU 32 HA GLU 32 3.619 -7.928 -5.332 268 1HB GLU 32 2HB GLU 32 5.092 -6.105 -4.195 269 2HB GLU 32 1HB GLU 32 4.460 -6.762 -2.691 270 1HG GLU 32 2HG GLU 32 5.250 -9.038 -3.696 271 2HG GLU 32 1HG GLU 32 6.281 -8.010 -4.689 272 H ILE 33 H ILE 33 2.028 -6.615 -2.471 273 HA ILE 33 HA ILE 33 1.565 -9.078 -1.169 274 HB ILE 33 HB ILE 33 0.034 -6.471 -0.986 275 1HG1 ILE 33 2HG1 ILE 33 2.100 -7.480 0.953 276 2HG1 ILE 33 1HG1 ILE 33 2.556 -6.537 -0.461 277 1HG2 ILE 33 1HG2 ILE 33 -0.996 -7.220 0.964 278 2HG2 ILE 33 2HG2 ILE 33 0.160 -8.532 1.188 279 3HG2 ILE 33 3HG2 ILE 33 -1.060 -8.638 -0.080 280 1HD1 ILE 33 1HD1 ILE 33 0.652 -5.635 1.687 281 2HD1 ILE 33 2HD1 ILE 33 1.201 -4.686 0.306 282 3HD1 ILE 33 3HD1 ILE 33 2.348 -5.168 1.556 283 H LYS 34 H LYS 34 -0.116 -7.305 -3.685 284 HA LYS 34 HA LYS 34 -2.534 -8.805 -3.581 285 1HB LYS 34 2HB LYS 34 -1.299 -6.840 -5.441 286 2HB LYS 34 1HB LYS 34 -2.562 -7.878 -6.089 287 1HG LYS 34 2HG LYS 34 -2.969 -6.342 -3.553 288 2HG LYS 34 1HG LYS 34 -3.229 -5.599 -5.130 289 1HD LYS 34 2HD LYS 34 -4.893 -7.250 -5.688 290 2HD LYS 34 1HD LYS 34 -4.560 -8.139 -4.200 291 1HE LYS 34 2HE LYS 34 -5.144 -5.837 -3.080 292 2HE LYS 34 1HE LYS 34 -6.000 -5.560 -4.595 293 1HZ LYS 34 1HZ LYS 34 -7.374 -6.560 -2.802 294 2HZ LYS 34 2HZ LYS 34 -6.413 -7.950 -2.886 295 3HZ LYS 34 3HZ LYS 34 -7.333 -7.477 -4.224 296 H ARG 35 H ARG 35 0.367 -8.944 -5.623 297 HA ARG 35 HA ARG 35 -0.497 -11.209 -7.115 298 1HB ARG 35 2HB ARG 35 1.385 -9.426 -7.594 299 2HB ARG 35 1HB ARG 35 2.402 -10.577 -6.738 300 1HG ARG 35 2HG ARG 35 2.421 -12.026 -8.444 301 2HG ARG 35 1HG ARG 35 0.714 -11.771 -8.811 302 1HD ARG 35 2HD ARG 35 1.142 -9.975 -10.198 303 2HD ARG 35 1HD ARG 35 2.692 -9.622 -9.433 304 HE ARG 35 HE ARG 35 3.680 -10.996 -10.953 305 1HH1 ARG 35 1HH1 ARG 35 0.299 -11.874 -10.762 306 2HH1 ARG 35 2HH1 ARG 35 0.406 -13.036 -12.041 307 1HH2 ARG 35 1HH2 ARG 35 3.810 -12.524 -12.631 308 2HH2 ARG 35 2HH2 ARG 35 2.395 -13.406 -13.100 309 H ARG 36 H ARG 36 0.973 -10.781 -4.014 310 HA ARG 36 HA ARG 36 1.977 -13.478 -3.818 311 1HB ARG 36 2HB ARG 36 1.902 -11.076 -2.045 312 2HB ARG 36 1HB ARG 36 2.165 -12.650 -1.313 313 1HG ARG 36 2HG ARG 36 3.928 -12.672 -3.414 314 2HG ARG 36 1HG ARG 36 3.967 -10.988 -2.889 315 1HD ARG 36 2HD ARG 36 5.561 -11.849 -1.504 316 2HD ARG 36 1HD ARG 36 4.134 -12.112 -0.501 317 HE ARG 36 HE ARG 36 4.558 -14.361 -2.138 318 1HH1 ARG 36 1HH1 ARG 36 5.956 -12.754 0.638 319 2HH1 ARG 36 2HH1 ARG 36 6.626 -14.210 1.292 320 1HH2 ARG 36 1HH2 ARG 36 5.441 -16.268 -1.271 321 2HH2 ARG 36 2HH2 ARG 36 6.335 -16.201 0.211 322 H SER 37 H SER 37 -1.106 -12.452 -3.893 323 HA SER 37 HA SER 37 -3.087 -13.270 -3.143 324 1HB SER 37 2HB SER 37 -1.769 -15.451 -3.691 325 2HB SER 37 1HB SER 37 -1.654 -15.624 -1.940 326 HG SER 37 HG SER 37 -3.621 -16.413 -3.378 327 H LEU 38 H LEU 38 -1.555 -11.515 -1.488 328 HA LEU 38 HA LEU 38 -2.504 -12.335 1.183 329 1HB LEU 38 2HB LEU 38 0.048 -12.161 0.662 330 2HB LEU 38 1HB LEU 38 -0.231 -10.437 0.800 331 HG LEU 38 HG LEU 38 -1.224 -10.921 3.092 332 1HD1 LEU 38 1HD1 LEU 38 -0.592 -12.991 4.157 333 2HD1 LEU 38 2HD1 LEU 38 0.210 -13.540 2.685 334 3HD1 LEU 38 3HD1 LEU 38 -1.541 -13.339 2.713 335 1HD2 LEU 38 1HD2 LEU 38 0.963 -9.909 2.798 336 2HD2 LEU 38 2HD2 LEU 38 1.690 -11.503 2.589 337 3HD2 LEU 38 3HD2 LEU 38 0.987 -11.052 4.142 338 H GLY 39 H GLY 39 -3.570 -10.514 -1.163 339 1HA GLY 39 2HA GLY 39 -3.614 -7.869 -0.252 340 2HA GLY 39 1HA GLY 39 -4.838 -8.587 -1.276 341 H HIS 40 H HIS 40 -5.367 -10.665 0.849 342 HA HIS 40 HA HIS 40 -7.518 -9.384 2.121 343 1HB HIS 40 2HB HIS 40 -7.655 -11.430 3.511 344 2HB HIS 40 1HB HIS 40 -7.491 -11.795 1.796 345 HD1 HIS 40 1HD HIS 40 -5.661 -13.362 1.173 346 HD2 HIS 40 2HD HIS 40 -5.123 -11.750 4.965 347 HE1 HIS 40 1HE HIS 40 -3.674 -14.563 2.138 348 HE2 HIS 40 2HE HIS 40 -3.324 -13.523 4.407 349 H ILE 41 H ILE 41 -4.161 -9.617 2.938 350 HA ILE 41 HA ILE 41 -4.437 -9.037 5.719 351 HB ILE 41 HB ILE 41 -2.470 -10.172 4.472 352 1HG1 ILE 41 2HG1 ILE 41 -0.890 -9.488 6.216 353 2HG1 ILE 41 1HG1 ILE 41 -1.917 -8.112 6.609 354 1HG2 ILE 41 1HG2 ILE 41 -1.103 -7.559 4.418 355 2HG2 ILE 41 2HG2 ILE 41 -2.227 -7.895 3.101 356 3HG2 ILE 41 3HG2 ILE 41 -0.876 -8.986 3.405 357 1HD1 ILE 41 1HD1 ILE 41 -3.546 -9.449 7.560 358 2HD1 ILE 41 2HD1 ILE 41 -2.050 -10.248 8.042 359 3HD1 ILE 41 3HD1 ILE 41 -3.002 -10.891 6.704 360 H ILE 42 H ILE 42 -4.103 -7.167 2.799 361 HA ILE 42 HA ILE 42 -3.732 -4.668 4.259 362 HB ILE 42 HB ILE 42 -3.722 -3.659 1.927 363 1HG1 ILE 42 2HG1 ILE 42 -3.418 -6.525 1.078 364 2HG1 ILE 42 1HG1 ILE 42 -4.902 -5.608 0.894 365 1HG2 ILE 42 1HG2 ILE 42 -1.605 -5.744 2.164 366 2HG2 ILE 42 2HG2 ILE 42 -1.707 -4.421 3.328 367 3HG2 ILE 42 3HG2 ILE 42 -1.475 -4.074 1.614 368 1HD1 ILE 42 1HD1 ILE 42 -3.848 -5.506 -1.191 369 2HD1 ILE 42 2HD1 ILE 42 -2.271 -5.189 -0.468 370 3HD1 ILE 42 3HD1 ILE 42 -3.521 -3.945 -0.438 371 H SER 43 H SER 43 -5.133 -2.863 3.971 372 HA SER 43 HA SER 43 -7.925 -3.642 3.729 373 1HB SER 43 2HB SER 43 -7.370 -2.247 5.633 374 2HB SER 43 1HB SER 43 -6.614 -1.048 4.585 375 HG SER 43 HG SER 43 -9.297 -1.528 5.099 376 H VAL 44 H VAL 44 -7.635 -4.065 1.417 377 HA VAL 44 HA VAL 44 -7.097 -1.896 -0.374 378 HB VAL 44 HB VAL 44 -8.546 -4.328 -1.333 379 1HG1 VAL 44 1HG1 VAL 44 -6.308 -2.613 -2.376 380 2HG1 VAL 44 2HG1 VAL 44 -7.966 -2.705 -2.972 381 3HG1 VAL 44 3HG1 VAL 44 -6.876 -4.077 -3.177 382 1HG2 VAL 44 1HG2 VAL 44 -7.018 -5.418 0.103 383 2HG2 VAL 44 2HG2 VAL 44 -5.716 -4.310 -0.328 384 3HG2 VAL 44 3HG2 VAL 44 -6.301 -5.483 -1.506 385 H SER 45 H SER 45 -8.597 -1.047 -1.952 386 HA SER 45 HA SER 45 -11.366 -0.965 -0.941 387 1HB SER 45 2HB SER 45 -9.528 1.176 -1.865 388 2HB SER 45 1HB SER 45 -11.218 1.323 -2.349 389 HG SER 45 HG SER 45 -11.735 1.056 -0.087 390 H SER 46 H SER 46 -12.151 -2.606 -2.250 391 HA SER 46 HA SER 46 -12.067 -2.087 -5.150 392 1HB SER 46 2HB SER 46 -12.851 -4.761 -4.072 393 2HB SER 46 1HB SER 46 -12.026 -4.355 -5.577 394 HG SER 46 HG SER 46 -10.170 -4.477 -4.587 Start of MODEL 19 1 1H MET 1 1HT MET 1 12.915 -4.932 -2.841 2 2H MET 1 2HT MET 1 12.159 -5.672 -1.489 3 3H MET 1 3HT MET 1 11.814 -4.037 -1.881 4 HA MET 1 HA MET 1 10.007 -5.206 -2.622 5 1HB MET 1 2HB MET 1 10.717 -3.598 -4.227 6 2HB MET 1 1HB MET 1 12.010 -4.634 -4.803 7 1HG MET 1 2HG MET 1 9.987 -4.363 -6.302 8 2HG MET 1 1HG MET 1 10.544 -6.004 -5.998 9 1HE MET 1 1HE MET 1 8.743 -3.436 -4.030 10 2HE MET 1 2HE MET 1 8.135 -4.596 -2.849 11 3HE MET 1 3HE MET 1 7.043 -3.900 -4.045 12 H ARG 2 H ARG 2 13.003 -6.804 -3.631 13 HA ARG 2 HA ARG 2 11.601 -9.174 -4.503 14 1HB ARG 2 2HB ARG 2 13.941 -8.071 -5.262 15 2HB ARG 2 1HB ARG 2 14.533 -9.263 -4.112 16 1HG ARG 2 2HG ARG 2 14.196 -10.938 -5.532 17 2HG ARG 2 1HG ARG 2 12.558 -10.397 -5.898 18 1HD ARG 2 2HD ARG 2 14.000 -10.430 -7.890 19 2HD ARG 2 1HD ARG 2 13.409 -8.812 -7.519 20 HE ARG 2 HE ARG 2 16.000 -9.406 -6.411 21 1HH1 ARG 2 1HH1 ARG 2 14.282 -8.176 -9.200 22 2HH1 ARG 2 2HH1 ARG 2 15.637 -7.271 -9.784 23 1HH2 ARG 2 1HH2 ARG 2 17.773 -8.214 -7.186 24 2HH2 ARG 2 2HH2 ARG 2 17.615 -7.292 -8.644 25 H LYS 3 H LYS 3 13.926 -8.418 -1.900 26 HA LYS 3 HA LYS 3 13.141 -10.925 -0.583 27 1HB LYS 3 2HB LYS 3 15.649 -9.450 -0.819 28 2HB LYS 3 1HB LYS 3 15.295 -9.919 0.838 29 1HG LYS 3 2HG LYS 3 15.088 -12.238 0.164 30 2HG LYS 3 1HG LYS 3 15.369 -11.791 -1.520 31 1HD LYS 3 2HD LYS 3 17.592 -11.627 -1.230 32 2HD LYS 3 1HD LYS 3 17.425 -10.834 0.339 33 1HE LYS 3 2HE LYS 3 17.518 -12.785 1.487 34 2HE LYS 3 1HE LYS 3 16.684 -13.691 0.225 35 1HZ LYS 3 1HZ LYS 3 18.768 -13.564 -1.089 36 2HZ LYS 3 2HZ LYS 3 18.922 -14.452 0.343 37 3HZ LYS 3 3HZ LYS 3 19.538 -12.880 0.253 38 H LEU 4 H LEU 4 11.225 -10.217 0.385 39 HA LEU 4 HA LEU 4 11.626 -8.736 2.849 40 1HB LEU 4 2HB LEU 4 9.270 -7.850 1.267 41 2HB LEU 4 1HB LEU 4 10.186 -6.989 2.484 42 HG LEU 4 HG LEU 4 11.369 -7.532 -0.221 43 1HD1 LEU 4 1HD1 LEU 4 9.621 -6.375 -1.055 44 2HD1 LEU 4 2HD1 LEU 4 10.546 -4.994 -0.464 45 3HD1 LEU 4 3HD1 LEU 4 9.219 -5.644 0.498 46 1HD2 LEU 4 1HD2 LEU 4 11.870 -5.054 1.298 47 2HD2 LEU 4 2HD2 LEU 4 12.985 -6.078 0.394 48 3HD2 LEU 4 3HD2 LEU 4 12.484 -6.541 2.020 49 H SER 5 H SER 5 10.224 -9.319 4.448 50 HA SER 5 HA SER 5 8.590 -11.664 3.945 51 1HB SER 5 2HB SER 5 8.211 -11.384 6.516 52 2HB SER 5 1HB SER 5 9.787 -11.919 5.932 53 HG SER 5 HG SER 5 10.634 -10.156 6.691 54 H ASP 6 H ASP 6 6.361 -11.779 4.828 55 HA ASP 6 HA ASP 6 4.757 -9.727 3.776 56 1HB ASP 6 2HB ASP 6 3.573 -11.369 5.968 57 2HB ASP 6 1HB ASP 6 2.908 -10.931 4.405 58 H GLU 7 H GLU 7 6.263 -10.098 6.874 59 HA GLU 7 HA GLU 7 4.625 -8.164 8.216 60 1HB GLU 7 2HB GLU 7 6.870 -9.899 8.885 61 2HB GLU 7 1HB GLU 7 7.028 -8.308 9.616 62 1HG GLU 7 2HG GLU 7 5.235 -8.599 10.975 63 2HG GLU 7 1HG GLU 7 4.401 -9.657 9.838 64 H LEU 8 H LEU 8 7.681 -8.148 6.506 65 HA LEU 8 HA LEU 8 8.236 -5.383 7.112 66 1HB LEU 8 2HB LEU 8 9.545 -7.514 5.497 67 2HB LEU 8 1HB LEU 8 9.965 -5.840 5.184 68 HG LEU 8 HG LEU 8 11.507 -6.973 6.752 69 1HD1 LEU 8 1HD1 LEU 8 10.715 -4.442 6.779 70 2HD1 LEU 8 2HD1 LEU 8 11.878 -5.081 7.941 71 3HD1 LEU 8 3HD1 LEU 8 10.182 -4.905 8.396 72 1HD2 LEU 8 1HD2 LEU 8 9.550 -6.805 8.951 73 2HD2 LEU 8 2HD2 LEU 8 10.875 -7.940 8.693 74 3HD2 LEU 8 3HD2 LEU 8 9.355 -8.147 7.823 75 H LEU 9 H LEU 9 6.863 -7.245 4.490 76 HA LEU 9 HA LEU 9 6.779 -5.081 2.623 77 1HB LEU 9 2HB LEU 9 6.862 -7.358 1.821 78 2HB LEU 9 1HB LEU 9 5.389 -7.755 2.684 79 HG LEU 9 HG LEU 9 4.254 -5.998 1.187 80 1HD1 LEU 9 1HD1 LEU 9 6.390 -6.572 -0.789 81 2HD1 LEU 9 2HD1 LEU 9 6.694 -5.316 0.411 82 3HD1 LEU 9 3HD1 LEU 9 5.302 -5.191 -0.663 83 1HD2 LEU 9 1HD2 LEU 9 4.098 -7.668 -0.696 84 2HD2 LEU 9 2HD2 LEU 9 3.731 -8.295 0.911 85 3HD2 LEU 9 3HD2 LEU 9 5.295 -8.633 0.169 86 H ILE 10 H ILE 10 4.435 -6.610 4.786 87 HA ILE 10 HA ILE 10 2.291 -4.943 3.952 88 HB ILE 10 HB ILE 10 2.590 -6.653 6.418 89 1HG1 ILE 10 2HG1 ILE 10 0.841 -7.155 4.023 90 2HG1 ILE 10 1HG1 ILE 10 2.536 -7.637 4.027 91 1HG2 ILE 10 1HG2 ILE 10 0.202 -6.419 6.745 92 2HG2 ILE 10 2HG2 ILE 10 0.082 -5.372 5.331 93 3HG2 ILE 10 3HG2 ILE 10 0.954 -4.824 6.762 94 1HD1 ILE 10 1HD1 ILE 10 2.156 -9.373 5.366 95 2HD1 ILE 10 2HD1 ILE 10 0.484 -9.172 4.863 96 3HD1 ILE 10 3HD1 ILE 10 1.032 -8.476 6.382 97 H GLU 11 H GLU 11 4.724 -4.763 6.454 98 HA GLU 11 HA GLU 11 3.593 -2.644 7.932 99 1HB GLU 11 2HB GLU 11 6.294 -3.848 7.664 100 2HB GLU 11 1HB GLU 11 6.200 -2.244 8.367 101 1HG GLU 11 2HG GLU 11 4.564 -4.551 9.371 102 2HG GLU 11 1HG GLU 11 6.180 -4.190 9.974 103 H SER 12 H SER 12 5.370 -2.777 4.938 104 HA SER 12 HA SER 12 6.010 0.022 4.892 105 1HB SER 12 2HB SER 12 6.791 -0.350 2.643 106 2HB SER 12 1HB SER 12 7.288 -1.734 3.614 107 HG SER 12 HG SER 12 6.417 -2.560 1.775 108 H TYR 13 H TYR 13 3.499 -2.039 3.486 109 HA TYR 13 HA TYR 13 2.185 0.028 2.048 110 1HB TYR 13 2HB TYR 13 1.828 -2.402 1.620 111 2HB TYR 13 1HB TYR 13 0.993 -2.524 3.161 112 HD1 TYR 13 1HD TYR 13 0.859 -0.714 -0.095 113 HD2 TYR 13 2HD TYR 13 -1.307 -2.187 3.258 114 HE1 TYR 13 1HE TYR 13 -1.251 -0.099 -1.196 115 HE2 TYR 13 2HE TYR 13 -3.425 -1.577 2.165 116 HH TYR 13 HH TYR 13 -4.305 -1.141 -0.032 117 H PHE 14 H PHE 14 1.894 -1.293 5.286 118 HA PHE 14 HA PHE 14 -0.397 0.228 6.026 119 1HB PHE 14 2HB PHE 14 1.664 -1.304 7.585 120 2HB PHE 14 1HB PHE 14 0.358 -0.446 8.377 121 HD1 PHE 14 1HD PHE 14 -0.568 -1.874 5.201 122 HD2 PHE 14 2HD PHE 14 -0.110 -2.733 9.348 123 HE1 PHE 14 1HE PHE 14 -1.998 -3.855 4.945 124 HE2 PHE 14 2HE PHE 14 -1.543 -4.717 9.094 125 HZ PHE 14 HZ PHE 14 -2.487 -5.285 6.889 126 H LYS 15 H LYS 15 3.078 0.551 6.615 127 HA LYS 15 HA LYS 15 2.946 2.922 8.133 128 1HB LYS 15 2HB LYS 15 5.122 1.619 6.514 129 2HB LYS 15 1HB LYS 15 5.381 3.162 7.310 130 1HG LYS 15 2HG LYS 15 4.412 0.755 8.813 131 2HG LYS 15 1HG LYS 15 6.128 1.062 8.537 132 1HD LYS 15 2HD LYS 15 5.986 2.202 10.474 133 2HD LYS 15 1HD LYS 15 5.318 3.480 9.455 134 1HE LYS 15 2HE LYS 15 3.225 3.210 10.263 135 2HE LYS 15 1HE LYS 15 3.395 1.462 10.413 136 1HZ LYS 15 1HZ LYS 15 4.871 1.939 12.373 137 2HZ LYS 15 2HZ LYS 15 3.233 2.305 12.588 138 3HZ LYS 15 3HZ LYS 15 4.344 3.545 12.292 139 H ALA 16 H ALA 16 3.442 2.322 4.684 140 HA ALA 16 HA ALA 16 3.829 4.992 3.914 141 1HB ALA 16 1HB ALA 16 3.125 4.126 1.630 142 2HB ALA 16 2HB ALA 16 2.923 2.558 2.408 143 3HB ALA 16 3HB ALA 16 4.506 3.335 2.389 144 H THR 17 H THR 17 0.890 3.062 4.254 145 HA THR 17 HA THR 17 -0.841 4.939 3.037 146 HB THR 17 HB THR 17 -2.632 3.712 4.345 147 HG1 THR 17 1HG THR 17 -2.005 1.921 5.501 148 1HG2 THR 17 1HG2 THR 17 -1.911 1.393 3.282 149 2HG2 THR 17 2HG2 THR 17 -0.780 2.443 2.427 150 3HG2 THR 17 3HG2 THR 17 -2.515 2.736 2.312 151 H GLU 18 H GLU 18 0.439 4.592 6.270 152 HA GLU 18 HA GLU 18 -1.340 6.476 7.474 153 1HB GLU 18 2HB GLU 18 0.887 4.787 8.317 154 2HB GLU 18 1HB GLU 18 0.865 6.346 9.131 155 1HG GLU 18 2HG GLU 18 -1.087 5.912 10.219 156 2HG GLU 18 1HG GLU 18 -1.676 4.825 8.963 157 H MET 19 H MET 19 2.021 6.617 6.374 158 HA MET 19 HA MET 19 2.255 9.411 7.018 159 1HB MET 19 2HB MET 19 4.498 9.219 6.184 160 2HB MET 19 1HB MET 19 4.149 7.826 7.191 161 1HG MET 19 2HG MET 19 3.870 6.436 5.266 162 2HG MET 19 1HG MET 19 4.010 7.821 4.190 163 1HE MET 19 1HE MET 19 5.711 5.051 6.080 164 2HE MET 19 2HE MET 19 7.267 5.077 5.250 165 3HE MET 19 3HE MET 19 5.776 4.917 4.324 166 H ASN 20 H ASN 20 1.065 7.659 4.356 167 HA ASN 20 HA ASN 20 0.179 8.344 2.374 168 1HB ASN 20 2HB ASN 20 1.176 11.136 2.905 169 2HB ASN 20 1HB ASN 20 -0.146 10.639 1.858 170 1HD2 ASN 20 1HD2 ASN 20 -0.826 12.549 3.443 171 2HD2 ASN 20 2HD2 ASN 20 -1.746 12.010 4.803 172 H LEU 21 H LEU 21 2.707 7.228 2.613 173 HA LEU 21 HA LEU 21 4.807 8.489 1.302 174 1HB LEU 21 2HB LEU 21 4.586 6.161 2.506 175 2HB LEU 21 1HB LEU 21 4.268 5.574 0.887 176 HG LEU 21 HG LEU 21 6.726 7.192 1.438 177 1HD1 LEU 21 1HD1 LEU 21 7.319 5.665 2.968 178 2HD1 LEU 21 2HD1 LEU 21 7.657 4.659 1.561 179 3HD1 LEU 21 3HD1 LEU 21 6.125 4.490 2.417 180 1HD2 LEU 21 1HD2 LEU 21 5.615 5.771 -0.792 181 2HD2 LEU 21 2HD2 LEU 21 7.156 5.044 -0.344 182 3HD2 LEU 21 3HD2 LEU 21 7.069 6.764 -0.719 183 H ASN 22 H ASN 22 5.622 8.130 -0.901 184 HA ASN 22 HA ASN 22 4.039 8.982 -2.920 185 1HB ASN 22 2HB ASN 22 6.567 8.551 -2.914 186 2HB ASN 22 1HB ASN 22 6.168 6.925 -3.460 187 1HD2 ASN 22 1HD2 ASN 22 6.700 6.846 -5.525 188 2HD2 ASN 22 2HD2 ASN 22 6.228 7.986 -6.733 189 H ARG 23 H ARG 23 2.507 8.235 -4.246 190 HA ARG 23 HA ARG 23 1.057 5.941 -3.708 191 1HB ARG 23 2HB ARG 23 0.489 8.043 -5.142 192 2HB ARG 23 1HB ARG 23 1.113 7.081 -6.475 193 1HG ARG 23 2HG ARG 23 -1.068 6.501 -6.623 194 2HG ARG 23 1HG ARG 23 -0.554 5.286 -5.451 195 1HD ARG 23 2HD ARG 23 -2.296 6.071 -4.258 196 2HD ARG 23 1HD ARG 23 -1.155 7.334 -3.799 197 HE ARG 23 HE ARG 23 -2.319 8.249 -6.098 198 1HH1 ARG 23 1HH1 ARG 23 -3.511 7.218 -2.973 199 2HH1 ARG 23 2HH1 ARG 23 -4.891 8.263 -3.023 200 1HH2 ARG 23 1HH2 ARG 23 -4.134 9.616 -6.153 201 2HH2 ARG 23 2HH2 ARG 23 -5.245 9.622 -4.824 202 H ASP 24 H ASP 24 3.891 6.306 -5.691 203 HA ASP 24 HA ASP 24 3.558 3.925 -7.196 204 1HB ASP 24 2HB ASP 24 5.275 6.030 -7.350 205 2HB ASP 24 1HB ASP 24 6.326 4.805 -6.645 206 H PHE 25 H PHE 25 5.061 4.646 -4.101 207 HA PHE 25 HA PHE 25 6.197 2.035 -3.777 208 1HB PHE 25 2HB PHE 25 6.851 4.302 -2.622 209 2HB PHE 25 1HB PHE 25 5.597 3.858 -1.469 210 HD1 PHE 25 1HD PHE 25 8.396 2.108 -3.219 211 HD2 PHE 25 2HD PHE 25 6.392 2.904 0.449 212 HE1 PHE 25 1HE PHE 25 10.004 0.672 -2.034 213 HE2 PHE 25 2HE PHE 25 7.997 1.470 1.642 214 HZ PHE 25 HZ PHE 25 9.808 0.353 0.400 215 H ILE 26 H ILE 26 3.303 3.722 -2.692 216 HA ILE 26 HA ILE 26 2.275 1.704 -1.024 217 HB ILE 26 HB ILE 26 0.874 3.882 -2.585 218 1HG1 ILE 26 2HG1 ILE 26 1.699 3.658 0.318 219 2HG1 ILE 26 1HG1 ILE 26 2.441 4.692 -0.896 220 1HG2 ILE 26 1HG2 ILE 26 -0.238 1.677 -1.036 221 2HG2 ILE 26 2HG2 ILE 26 -1.037 2.805 -2.130 222 3HG2 ILE 26 3HG2 ILE 26 -0.764 3.254 -0.448 223 1HD1 ILE 26 1HD1 ILE 26 0.903 5.852 0.682 224 2HD1 ILE 26 2HD1 ILE 26 -0.426 4.934 -0.024 225 3HD1 ILE 26 3HD1 ILE 26 0.495 6.058 -1.021 226 H GLU 27 H GLU 27 1.866 2.377 -4.481 227 HA GLU 27 HA GLU 27 0.060 0.202 -4.903 228 1HB GLU 27 2HB GLU 27 0.676 2.408 -6.347 229 2HB GLU 27 1HB GLU 27 1.644 1.211 -7.191 230 1HG GLU 27 2HG GLU 27 -0.154 0.147 -8.043 231 2HG GLU 27 1HG GLU 27 -1.153 0.467 -6.626 232 H LEU 28 H LEU 28 3.513 0.671 -5.056 233 HA LEU 28 HA LEU 28 4.175 -1.719 -6.409 234 1HB LEU 28 2HB LEU 28 5.886 -0.152 -6.391 235 2HB LEU 28 1HB LEU 28 5.621 0.275 -4.716 236 HG LEU 28 HG LEU 28 6.734 -2.426 -5.359 237 1HD1 LEU 28 1HD1 LEU 28 8.881 -1.683 -5.712 238 2HD1 LEU 28 2HD1 LEU 28 8.573 -0.110 -4.976 239 3HD1 LEU 28 3HD1 LEU 28 7.950 -0.468 -6.588 240 1HD2 LEU 28 1HD2 LEU 28 6.336 -2.217 -3.093 241 2HD2 LEU 28 2HD2 LEU 28 6.754 -0.504 -3.071 242 3HD2 LEU 28 3HD2 LEU 28 8.023 -1.721 -3.214 243 H ILE 29 H ILE 29 3.992 -0.891 -2.958 244 HA ILE 29 HA ILE 29 4.683 -3.490 -2.050 245 HB ILE 29 HB ILE 29 3.079 -1.418 -0.546 246 1HG1 ILE 29 2HG1 ILE 29 6.004 -1.719 -0.118 247 2HG1 ILE 29 1HG1 ILE 29 5.499 -0.887 -1.583 248 1HG2 ILE 29 1HG2 ILE 29 4.916 -3.543 0.529 249 2HG2 ILE 29 2HG2 ILE 29 3.180 -3.776 0.325 250 3HG2 ILE 29 3HG2 ILE 29 3.779 -2.535 1.423 251 1HD1 ILE 29 1HD1 ILE 29 5.705 0.133 1.037 252 2HD1 ILE 29 2HD1 ILE 29 3.998 0.143 0.596 253 3HD1 ILE 29 3HD1 ILE 29 5.178 0.965 -0.425 254 H GLU 30 H GLU 30 1.700 -1.919 -2.967 255 HA GLU 30 HA GLU 30 -0.013 -3.969 -1.917 256 1HB GLU 30 2HB GLU 30 -0.568 -1.478 -2.470 257 2HB GLU 30 1HB GLU 30 -0.815 -2.077 -4.105 258 1HG GLU 30 2HG GLU 30 -2.255 -3.853 -2.598 259 2HG GLU 30 1HG GLU 30 -2.493 -2.333 -1.738 260 H ASN 31 H ASN 31 1.582 -3.274 -4.950 261 HA ASN 31 HA ASN 31 0.172 -5.152 -6.537 262 1HB ASN 31 2HB ASN 31 2.715 -3.603 -6.811 263 2HB ASN 31 1HB ASN 31 2.424 -4.940 -7.917 264 1HD2 ASN 31 1HD2 ASN 31 2.646 -2.229 -8.652 265 2HD2 ASN 31 2HD2 ASN 31 1.130 -1.729 -9.312 266 H GLU 32 H GLU 32 2.875 -5.391 -4.354 267 HA GLU 32 HA GLU 32 3.662 -8.016 -5.268 268 1HB GLU 32 2HB GLU 32 5.272 -6.386 -4.245 269 2HB GLU 32 1HB GLU 32 4.433 -6.587 -2.713 270 1HG GLU 32 2HG GLU 32 6.312 -7.976 -2.587 271 2HG GLU 32 1HG GLU 32 4.955 -9.054 -2.906 272 H ILE 33 H ILE 33 2.025 -6.613 -2.476 273 HA ILE 33 HA ILE 33 1.450 -9.035 -1.149 274 HB ILE 33 HB ILE 33 -0.020 -6.388 -1.063 275 1HG1 ILE 33 2HG1 ILE 33 1.945 -7.403 0.972 276 2HG1 ILE 33 1HG1 ILE 33 2.484 -6.515 -0.449 277 1HG2 ILE 33 1HG2 ILE 33 -1.157 -7.076 0.836 278 2HG2 ILE 33 2HG2 ILE 33 -0.019 -8.378 1.170 279 3HG2 ILE 33 3HG2 ILE 33 -1.176 -8.536 -0.148 280 1HD1 ILE 33 1HD1 ILE 33 0.522 -5.496 1.591 281 2HD1 ILE 33 2HD1 ILE 33 1.160 -4.604 0.211 282 3HD1 ILE 33 3HD1 ILE 33 2.235 -5.086 1.523 283 H LYS 34 H LYS 34 -0.103 -7.266 -3.749 284 HA LYS 34 HA LYS 34 -2.560 -8.712 -3.691 285 1HB LYS 34 2HB LYS 34 -1.231 -6.801 -5.553 286 2HB LYS 34 1HB LYS 34 -2.526 -7.800 -6.196 287 1HG LYS 34 2HG LYS 34 -3.594 -6.860 -3.845 288 2HG LYS 34 1HG LYS 34 -2.645 -5.492 -4.427 289 1HD LYS 34 2HD LYS 34 -3.835 -5.427 -6.479 290 2HD LYS 34 1HD LYS 34 -4.594 -6.989 -6.165 291 1HE LYS 34 2HE LYS 34 -5.610 -5.853 -4.099 292 2HE LYS 34 1HE LYS 34 -5.137 -4.338 -4.866 293 1HZ LYS 34 1HZ LYS 34 -6.762 -6.358 -6.288 294 2HZ LYS 34 2HZ LYS 34 -6.568 -4.718 -6.655 295 3HZ LYS 34 3HZ LYS 34 -7.473 -5.179 -5.302 296 H ARG 35 H ARG 35 0.386 -8.922 -5.664 297 HA ARG 35 HA ARG 35 -0.497 -11.195 -7.144 298 1HB ARG 35 2HB ARG 35 1.457 -9.407 -7.552 299 2HB ARG 35 1HB ARG 35 2.411 -10.680 -6.803 300 1HG ARG 35 2HG ARG 35 2.117 -12.122 -8.548 301 2HG ARG 35 1HG ARG 35 0.569 -11.415 -9.016 302 1HD ARG 35 2HD ARG 35 1.592 -9.610 -10.100 303 2HD ARG 35 1HD ARG 35 3.136 -9.889 -9.296 304 HE ARG 35 HE ARG 35 2.288 -12.051 -10.997 305 1HH1 ARG 35 1HH1 ARG 35 4.025 -9.016 -10.865 306 2HH1 ARG 35 2HH1 ARG 35 4.977 -9.365 -12.268 307 1HH2 ARG 35 1HH2 ARG 35 3.544 -12.498 -12.838 308 2HH2 ARG 35 2HH2 ARG 35 4.705 -11.337 -13.387 309 H ARG 36 H ARG 36 0.966 -10.736 -4.043 310 HA ARG 36 HA ARG 36 1.954 -13.434 -3.812 311 1HB ARG 36 2HB ARG 36 1.884 -11.012 -2.069 312 2HB ARG 36 1HB ARG 36 2.133 -12.578 -1.315 313 1HG ARG 36 2HG ARG 36 4.077 -12.959 -2.751 314 2HG ARG 36 1HG ARG 36 3.828 -11.378 -3.496 315 1HD ARG 36 2HD ARG 36 4.088 -10.347 -1.247 316 2HD ARG 36 1HD ARG 36 4.490 -11.941 -0.609 317 HE ARG 36 HE ARG 36 6.141 -11.196 -2.821 318 1HH1 ARG 36 1HH1 ARG 36 5.720 -10.816 0.631 319 2HH1 ARG 36 2HH1 ARG 36 7.393 -10.477 0.919 320 1HH2 ARG 36 1HH2 ARG 36 8.337 -10.750 -2.433 321 2HH2 ARG 36 2HH2 ARG 36 8.877 -10.440 -0.817 322 H SER 37 H SER 37 -1.126 -12.381 -3.898 323 HA SER 37 HA SER 37 -3.113 -13.195 -3.157 324 1HB SER 37 2HB SER 37 -2.203 -15.376 -3.797 325 2HB SER 37 1HB SER 37 -1.401 -15.517 -2.233 326 HG SER 37 HG SER 37 -3.397 -16.649 -2.301 327 H LEU 38 H LEU 38 -1.617 -11.427 -1.506 328 HA LEU 38 HA LEU 38 -2.568 -12.236 1.172 329 1HB LEU 38 2HB LEU 38 -0.008 -12.019 0.633 330 2HB LEU 38 1HB LEU 38 -0.325 -10.303 0.791 331 HG LEU 38 HG LEU 38 -1.303 -10.837 3.079 332 1HD1 LEU 38 1HD1 LEU 38 -1.672 -13.147 3.008 333 2HD1 LEU 38 2HD1 LEU 38 -0.266 -12.951 4.052 334 3HD1 LEU 38 3HD1 LEU 38 -0.057 -13.475 2.381 335 1HD2 LEU 38 1HD2 LEU 38 0.843 -9.760 2.832 336 2HD2 LEU 38 2HD2 LEU 38 1.623 -11.312 2.526 337 3HD2 LEU 38 3HD2 LEU 38 0.938 -10.966 4.114 338 H GLY 39 H GLY 39 -3.871 -10.679 -1.058 339 1HA GLY 39 2HA GLY 39 -3.923 -7.929 -0.327 340 2HA GLY 39 1HA GLY 39 -5.089 -8.752 -1.352 341 H HIS 40 H HIS 40 -5.238 -10.622 1.259 342 HA HIS 40 HA HIS 40 -7.558 -9.236 2.270 343 1HB HIS 40 2HB HIS 40 -8.029 -11.231 3.514 344 2HB HIS 40 1HB HIS 40 -7.478 -11.736 1.922 345 HD1 HIS 40 1HD HIS 40 -7.333 -13.220 4.862 346 HD2 HIS 40 2HD HIS 40 -4.224 -11.694 2.567 347 HE1 HIS 40 1HE HIS 40 -5.275 -14.454 5.610 348 HE2 HIS 40 2HE HIS 40 -3.393 -13.447 4.273 349 H ILE 41 H ILE 41 -4.253 -9.797 3.183 350 HA ILE 41 HA ILE 41 -4.421 -9.147 5.919 351 HB ILE 41 HB ILE 41 -2.489 -10.226 4.555 352 1HG1 ILE 41 2HG1 ILE 41 -0.850 -9.551 6.256 353 2HG1 ILE 41 1HG1 ILE 41 -1.900 -8.220 6.733 354 1HG2 ILE 41 1HG2 ILE 41 -1.215 -7.551 4.514 355 2HG2 ILE 41 2HG2 ILE 41 -2.325 -7.954 3.206 356 3HG2 ILE 41 3HG2 ILE 41 -0.916 -8.963 3.504 357 1HD1 ILE 41 1HD1 ILE 41 -2.862 -11.050 6.780 358 2HD1 ILE 41 2HD1 ILE 41 -3.479 -9.652 7.660 359 3HD1 ILE 41 3HD1 ILE 41 -1.935 -10.371 8.117 360 H ILE 42 H ILE 42 -4.174 -7.255 3.008 361 HA ILE 42 HA ILE 42 -3.669 -4.758 4.351 362 HB ILE 42 HB ILE 42 -4.142 -3.774 2.053 363 1HG1 ILE 42 2HG1 ILE 42 -4.069 -6.677 1.222 364 2HG1 ILE 42 1HG1 ILE 42 -5.488 -5.636 1.175 365 1HG2 ILE 42 1HG2 ILE 42 -2.000 -4.540 1.127 366 2HG2 ILE 42 2HG2 ILE 42 -1.947 -5.793 2.369 367 3HG2 ILE 42 3HG2 ILE 42 -1.904 -4.089 2.829 368 1HD1 ILE 42 1HD1 ILE 42 -3.082 -5.657 -0.563 369 2HD1 ILE 42 2HD1 ILE 42 -3.945 -4.140 -0.314 370 3HD1 ILE 42 3HD1 ILE 42 -4.787 -5.534 -0.992 371 H SER 43 H SER 43 -5.102 -2.941 4.328 372 HA SER 43 HA SER 43 -7.805 -3.677 4.926 373 1HB SER 43 2HB SER 43 -6.696 -1.898 6.198 374 2HB SER 43 1HB SER 43 -6.510 -0.944 4.726 375 HG SER 43 HG SER 43 -8.473 -0.263 4.977 376 H VAL 44 H VAL 44 -7.883 -4.604 2.621 377 HA VAL 44 HA VAL 44 -8.969 -2.553 0.807 378 HB VAL 44 HB VAL 44 -7.595 -5.120 0.002 379 1HG1 VAL 44 1HG1 VAL 44 -7.555 -4.015 -2.239 380 2HG1 VAL 44 2HG1 VAL 44 -8.639 -2.787 -1.584 381 3HG1 VAL 44 3HG1 VAL 44 -9.161 -4.470 -1.669 382 1HG2 VAL 44 1HG2 VAL 44 -6.584 -2.294 0.121 383 2HG2 VAL 44 2HG2 VAL 44 -5.802 -3.567 -0.813 384 3HG2 VAL 44 3HG2 VAL 44 -5.936 -3.712 0.940 385 H SER 45 H SER 45 -10.818 -3.082 -0.375 386 HA SER 45 HA SER 45 -12.293 -5.407 0.665 387 1HB SER 45 2HB SER 45 -14.258 -4.008 -0.447 388 2HB SER 45 1HB SER 45 -13.669 -3.628 1.172 389 HG SER 45 HG SER 45 -13.859 -1.801 -0.288 390 H SER 46 H SER 46 -11.468 -6.928 -0.771 391 HA SER 46 HA SER 46 -12.574 -6.735 -3.478 392 1HB SER 46 2HB SER 46 -10.485 -7.698 -4.420 393 2HB SER 46 1HB SER 46 -10.236 -6.099 -3.716 394 HG SER 46 HG SER 46 -9.589 -7.327 -1.762 Start of MODEL 20 1 1H MET 1 1HT MET 1 12.772 -4.658 -0.925 2 2H MET 1 2HT MET 1 11.502 -5.776 -0.639 3 3H MET 1 3HT MET 1 11.282 -4.114 -0.276 4 HA MET 1 HA MET 1 10.172 -4.328 -2.217 5 1HB MET 1 2HB MET 1 13.015 -3.656 -3.014 6 2HB MET 1 1HB MET 1 11.557 -3.182 -3.876 7 1HG MET 1 2HG MET 1 11.919 -2.380 -1.027 8 2HG MET 1 1HG MET 1 12.756 -1.500 -2.304 9 1HE MET 1 1HE MET 1 8.452 -1.152 -1.034 10 2HE MET 1 2HE MET 1 9.842 -1.821 -0.180 11 3HE MET 1 3HE MET 1 8.996 -2.794 -1.384 12 H ARG 2 H ARG 2 13.165 -6.197 -2.305 13 HA ARG 2 HA ARG 2 12.413 -7.566 -4.736 14 1HB ARG 2 2HB ARG 2 14.788 -7.030 -4.128 15 2HB ARG 2 1HB ARG 2 14.671 -8.222 -2.840 16 1HG ARG 2 2HG ARG 2 14.269 -9.977 -4.470 17 2HG ARG 2 1HG ARG 2 14.316 -8.791 -5.776 18 1HD ARG 2 2HD ARG 2 16.602 -8.428 -5.530 19 2HD ARG 2 1HD ARG 2 16.627 -9.085 -3.894 20 HE ARG 2 HE ARG 2 15.876 -11.094 -5.728 21 1HH1 ARG 2 1HH1 ARG 2 18.679 -9.265 -4.711 22 2HH1 ARG 2 2HH1 ARG 2 19.799 -10.508 -5.155 23 1HH2 ARG 2 1HH2 ARG 2 17.354 -12.721 -6.308 24 2HH2 ARG 2 2HH2 ARG 2 19.050 -12.467 -6.061 25 H LYS 3 H LYS 3 12.880 -8.493 -1.324 26 HA LYS 3 HA LYS 3 10.701 -10.358 -1.470 27 1HB LYS 3 2HB LYS 3 12.644 -11.604 -2.486 28 2HB LYS 3 1HB LYS 3 13.446 -11.492 -0.926 29 1HG LYS 3 2HG LYS 3 12.069 -13.018 0.052 30 2HG LYS 3 1HG LYS 3 10.705 -12.626 -0.998 31 1HD LYS 3 2HD LYS 3 12.020 -13.690 -2.880 32 2HD LYS 3 1HD LYS 3 13.131 -14.288 -1.646 33 1HE LYS 3 2HE LYS 3 10.174 -14.862 -1.809 34 2HE LYS 3 1HE LYS 3 11.473 -15.979 -2.225 35 1HZ LYS 3 1HZ LYS 3 10.612 -16.419 -0.017 36 2HZ LYS 3 2HZ LYS 3 10.965 -14.839 0.471 37 3HZ LYS 3 3HZ LYS 3 12.221 -15.902 0.075 38 H LEU 4 H LEU 4 9.763 -9.474 0.294 39 HA LEU 4 HA LEU 4 11.253 -9.668 2.830 40 1HB LEU 4 2HB LEU 4 9.146 -7.583 2.487 41 2HB LEU 4 1HB LEU 4 10.516 -7.611 3.578 42 HG LEU 4 HG LEU 4 10.618 -7.053 0.610 43 1HD1 LEU 4 1HD1 LEU 4 10.480 -5.370 3.030 44 2HD1 LEU 4 2HD1 LEU 4 9.927 -5.050 1.387 45 3HD1 LEU 4 3HD1 LEU 4 11.635 -4.875 1.793 46 1HD2 LEU 4 1HD2 LEU 4 12.985 -6.478 2.226 47 2HD2 LEU 4 2HD2 LEU 4 12.847 -7.246 0.645 48 3HD2 LEU 4 3HD2 LEU 4 12.609 -8.197 2.110 49 H SER 5 H SER 5 10.085 -10.340 4.629 50 HA SER 5 HA SER 5 7.948 -12.110 4.204 51 1HB SER 5 2HB SER 5 8.957 -10.785 6.725 52 2HB SER 5 1HB SER 5 7.710 -12.031 6.717 53 HG SER 5 HG SER 5 9.235 -13.452 6.561 54 H ASP 6 H ASP 6 5.751 -11.955 5.127 55 HA ASP 6 HA ASP 6 4.350 -9.762 4.135 56 1HB ASP 6 2HB ASP 6 3.231 -11.273 6.480 57 2HB ASP 6 1HB ASP 6 2.404 -10.650 5.065 58 H GLU 7 H GLU 7 5.917 -10.231 7.204 59 HA GLU 7 HA GLU 7 4.633 -8.086 8.559 60 1HB GLU 7 2HB GLU 7 6.775 -9.974 9.101 61 2HB GLU 7 1HB GLU 7 7.164 -8.373 9.712 62 1HG GLU 7 2HG GLU 7 5.183 -8.326 11.045 63 2HG GLU 7 1HG GLU 7 4.596 -9.818 10.312 64 H LEU 8 H LEU 8 7.485 -8.356 6.551 65 HA LEU 8 HA LEU 8 8.280 -5.617 6.988 66 1HB LEU 8 2HB LEU 8 9.303 -7.899 5.379 67 2HB LEU 8 1HB LEU 8 9.798 -6.274 4.941 68 HG LEU 8 HG LEU 8 11.389 -7.456 6.440 69 1HD1 LEU 8 1HD1 LEU 8 11.019 -4.920 6.293 70 2HD1 LEU 8 2HD1 LEU 8 11.953 -5.559 7.647 71 3HD1 LEU 8 3HD1 LEU 8 10.268 -5.090 7.879 72 1HD2 LEU 8 1HD2 LEU 8 9.777 -8.685 7.793 73 2HD2 LEU 8 2HD2 LEU 8 9.180 -7.168 8.465 74 3HD2 LEU 8 3HD2 LEU 8 10.829 -7.695 8.805 75 H LEU 9 H LEU 9 6.635 -7.488 4.504 76 HA LEU 9 HA LEU 9 6.523 -5.341 2.621 77 1HB LEU 9 2HB LEU 9 6.430 -7.807 2.078 78 2HB LEU 9 1HB LEU 9 4.784 -7.799 2.683 79 HG LEU 9 HG LEU 9 4.271 -6.034 0.945 80 1HD1 LEU 9 1HD1 LEU 9 6.583 -6.929 -0.644 81 2HD1 LEU 9 2HD1 LEU 9 6.935 -5.805 0.669 82 3HD1 LEU 9 3HD1 LEU 9 5.779 -5.359 -0.587 83 1HD2 LEU 9 1HD2 LEU 9 3.630 -8.387 0.698 84 2HD2 LEU 9 2HD2 LEU 9 5.191 -8.729 -0.047 85 3HD2 LEU 9 3HD2 LEU 9 4.046 -7.657 -0.852 86 H ILE 10 H ILE 10 4.345 -6.632 5.072 87 HA ILE 10 HA ILE 10 2.175 -4.951 4.278 88 HB ILE 10 HB ILE 10 2.580 -6.549 6.803 89 1HG1 ILE 10 2HG1 ILE 10 0.681 -7.117 4.539 90 2HG1 ILE 10 1HG1 ILE 10 2.349 -7.679 4.496 91 1HG2 ILE 10 1HG2 ILE 10 -0.132 -6.166 6.503 92 2HG2 ILE 10 2HG2 ILE 10 0.545 -4.592 6.085 93 3HG2 ILE 10 3HG2 ILE 10 0.913 -5.321 7.647 94 1HD1 ILE 10 1HD1 ILE 10 2.032 -9.085 6.326 95 2HD1 ILE 10 2HD1 ILE 10 0.589 -9.289 5.338 96 3HD1 ILE 10 3HD1 ILE 10 0.533 -8.286 6.788 97 H GLU 11 H GLU 11 4.740 -4.814 6.664 98 HA GLU 11 HA GLU 11 3.817 -2.566 8.082 99 1HB GLU 11 2HB GLU 11 6.443 -3.909 7.716 100 2HB GLU 11 1HB GLU 11 6.450 -2.288 8.376 101 1HG GLU 11 2HG GLU 11 5.187 -2.938 10.256 102 2HG GLU 11 1HG GLU 11 4.765 -4.487 9.527 103 H SER 12 H SER 12 5.439 -2.932 5.017 104 HA SER 12 HA SER 12 6.213 -0.174 4.798 105 1HB SER 12 2HB SER 12 6.802 -0.708 2.500 106 2HB SER 12 1HB SER 12 7.371 -1.999 3.556 107 HG SER 12 HG SER 12 6.205 -2.603 1.549 108 H TYR 13 H TYR 13 3.563 -2.175 3.588 109 HA TYR 13 HA TYR 13 2.278 -0.102 2.129 110 1HB TYR 13 2HB TYR 13 1.875 -2.555 1.791 111 2HB TYR 13 1HB TYR 13 1.017 -2.579 3.326 112 HD1 TYR 13 1HD TYR 13 0.995 -0.782 0.051 113 HD2 TYR 13 2HD TYR 13 -1.275 -2.278 3.323 114 HE1 TYR 13 1HE TYR 13 -1.080 -0.136 -1.100 115 HE2 TYR 13 2HE TYR 13 -3.356 -1.637 2.181 116 HH TYR 13 HH TYR 13 -4.118 -1.228 -0.165 117 H PHE 14 H PHE 14 2.057 -1.325 5.414 118 HA PHE 14 HA PHE 14 -0.187 0.283 6.147 119 1HB PHE 14 2HB PHE 14 1.815 -1.326 7.703 120 2HB PHE 14 1HB PHE 14 0.573 -0.385 8.505 121 HD1 PHE 14 1HD PHE 14 -0.591 -1.711 5.395 122 HD2 PHE 14 2HD PHE 14 0.092 -2.717 9.478 123 HE1 PHE 14 1HE PHE 14 -2.139 -3.609 5.184 124 HE2 PHE 14 2HE PHE 14 -1.457 -4.618 9.268 125 HZ PHE 14 HZ PHE 14 -2.572 -5.072 7.116 126 H LYS 15 H LYS 15 3.315 0.550 6.511 127 HA LYS 15 HA LYS 15 3.325 2.894 8.086 128 1HB LYS 15 2HB LYS 15 5.349 1.548 6.328 129 2HB LYS 15 1HB LYS 15 5.687 3.132 7.004 130 1HG LYS 15 2HG LYS 15 4.864 0.813 8.720 131 2HG LYS 15 1HG LYS 15 6.547 1.119 8.285 132 1HD LYS 15 2HD LYS 15 6.531 2.342 10.183 133 2HD LYS 15 1HD LYS 15 5.821 3.572 9.136 134 1HE LYS 15 2HE LYS 15 3.783 3.393 10.089 135 2HE LYS 15 1HE LYS 15 3.924 1.650 10.311 136 1HZ LYS 15 1HZ LYS 15 4.876 1.891 12.339 137 2HZ LYS 15 2HZ LYS 15 3.971 3.320 12.331 138 3HZ LYS 15 3HZ LYS 15 5.620 3.363 11.961 139 H ALA 16 H ALA 16 3.668 2.389 4.590 140 HA ALA 16 HA ALA 16 3.929 5.103 3.915 141 1HB ALA 16 1HB ALA 16 3.307 2.613 2.416 142 2HB ALA 16 2HB ALA 16 4.634 3.755 2.209 143 3HB ALA 16 3HB ALA 16 3.020 4.165 1.627 144 H THR 17 H THR 17 1.097 3.060 4.336 145 HA THR 17 HA THR 17 -0.764 4.852 3.183 146 HB THR 17 HB THR 17 -2.426 3.560 4.639 147 HG1 THR 17 1HG THR 17 -1.379 2.631 6.233 148 1HG2 THR 17 1HG2 THR 17 -2.529 2.580 2.632 149 2HG2 THR 17 2HG2 THR 17 -1.619 1.293 3.426 150 3HG2 THR 17 3HG2 THR 17 -0.775 2.504 2.461 151 H GLU 18 H GLU 18 0.662 4.575 6.362 152 HA GLU 18 HA GLU 18 -1.133 6.397 7.634 153 1HB GLU 18 2HB GLU 18 1.272 4.876 8.375 154 2HB GLU 18 1HB GLU 18 1.082 6.402 9.227 155 1HG GLU 18 2HG GLU 18 -0.921 5.745 10.211 156 2HG GLU 18 1HG GLU 18 -1.173 4.444 9.049 157 H MET 19 H MET 19 2.190 6.659 6.446 158 HA MET 19 HA MET 19 2.334 9.469 7.020 159 1HB MET 19 2HB MET 19 4.547 9.342 6.078 160 2HB MET 19 1HB MET 19 4.293 7.979 7.151 161 1HG MET 19 2HG MET 19 4.031 6.490 5.325 162 2HG MET 19 1HG MET 19 3.972 7.818 4.169 163 1HE MET 19 1HE MET 19 5.524 5.092 5.089 164 2HE MET 19 2HE MET 19 6.886 5.467 6.143 165 3HE MET 19 3HE MET 19 7.146 5.233 4.415 166 H ASN 20 H ASN 20 1.051 7.667 4.457 167 HA ASN 20 HA ASN 20 0.089 8.282 2.492 168 1HB ASN 20 2HB ASN 20 0.988 11.113 3.039 169 2HB ASN 20 1HB ASN 20 -0.266 10.592 1.924 170 1HD2 ASN 20 1HD2 ASN 20 -1.722 11.990 2.969 171 2HD2 ASN 20 2HD2 ASN 20 -2.437 11.567 4.483 172 H LEU 21 H LEU 21 2.602 7.214 2.575 173 HA LEU 21 HA LEU 21 4.637 8.530 1.205 174 1HB LEU 21 2HB LEU 21 4.495 6.197 2.403 175 2HB LEU 21 1HB LEU 21 4.129 5.610 0.795 176 HG LEU 21 HG LEU 21 6.587 7.251 1.300 177 1HD1 LEU 21 1HD1 LEU 21 6.139 4.973 2.717 178 2HD1 LEU 21 2HD1 LEU 21 7.729 5.589 2.265 179 3HD1 LEU 21 3HD1 LEU 21 6.952 4.348 1.283 180 1HD2 LEU 21 1HD2 LEU 21 5.420 5.878 -0.940 181 2HD2 LEU 21 2HD2 LEU 21 6.998 5.184 -0.568 182 3HD2 LEU 21 3HD2 LEU 21 6.847 6.911 -0.885 183 H ASN 22 H ASN 22 5.363 8.233 -1.027 184 HA ASN 22 HA ASN 22 3.659 9.045 -2.969 185 1HB ASN 22 2HB ASN 22 6.200 8.748 -3.075 186 2HB ASN 22 1HB ASN 22 5.870 7.104 -3.613 187 1HD2 ASN 22 1HD2 ASN 22 6.756 7.418 -5.628 188 2HD2 ASN 22 2HD2 ASN 22 6.007 8.398 -6.838 189 H ARG 23 H ARG 23 2.201 8.223 -4.360 190 HA ARG 23 HA ARG 23 0.816 5.893 -3.777 191 1HB ARG 23 2HB ARG 23 0.180 7.955 -5.240 192 2HB ARG 23 1HB ARG 23 0.845 7.002 -6.558 193 1HG ARG 23 2HG ARG 23 -1.517 6.668 -6.495 194 2HG ARG 23 1HG ARG 23 -0.730 5.180 -5.970 195 1HD ARG 23 2HD ARG 23 -1.812 5.240 -4.029 196 2HD ARG 23 1HD ARG 23 -1.215 6.866 -3.700 197 HE ARG 23 HE ARG 23 -3.265 7.217 -5.477 198 1HH1 ARG 23 1HH1 ARG 23 -2.957 5.728 -2.326 199 2HH1 ARG 23 2HH1 ARG 23 -4.592 6.071 -1.872 200 1HH2 ARG 23 1HH2 ARG 23 -5.411 7.664 -4.872 201 2HH2 ARG 23 2HH2 ARG 23 -5.983 7.167 -3.315 202 H ASP 24 H ASP 24 3.558 6.363 -5.906 203 HA ASP 24 HA ASP 24 3.316 3.935 -7.314 204 1HB ASP 24 2HB ASP 24 5.543 5.875 -6.838 205 2HB ASP 24 1HB ASP 24 5.916 4.309 -7.551 206 H PHE 25 H PHE 25 4.813 4.749 -4.248 207 HA PHE 25 HA PHE 25 6.096 2.208 -3.923 208 1HB PHE 25 2HB PHE 25 6.620 4.515 -2.777 209 2HB PHE 25 1HB PHE 25 5.401 3.997 -1.617 210 HD1 PHE 25 1HD PHE 25 6.027 2.692 0.181 211 HD2 PHE 25 2HD PHE 25 8.526 2.822 -3.261 212 HE1 PHE 25 1HE PHE 25 7.724 1.364 1.367 213 HE2 PHE 25 2HE PHE 25 10.227 1.493 -2.081 214 HZ PHE 25 HZ PHE 25 9.827 0.761 0.236 215 H ILE 26 H ILE 26 3.154 3.756 -2.743 216 HA ILE 26 HA ILE 26 2.231 1.659 -1.119 217 HB ILE 26 HB ILE 26 0.704 3.804 -2.605 218 1HG1 ILE 26 2HG1 ILE 26 1.648 3.577 0.261 219 2HG1 ILE 26 1HG1 ILE 26 2.264 4.683 -0.962 220 1HG2 ILE 26 1HG2 ILE 26 -0.875 2.074 -2.148 221 2HG2 ILE 26 2HG2 ILE 26 -1.115 3.325 -0.929 222 3HG2 ILE 26 3HG2 ILE 26 -0.247 1.846 -0.516 223 1HD1 ILE 26 1HD1 ILE 26 -0.157 5.573 -1.038 224 2HD1 ILE 26 2HD1 ILE 26 0.883 6.022 0.314 225 3HD1 ILE 26 3HD1 ILE 26 -0.330 4.756 0.515 226 H GLU 27 H GLU 27 1.625 2.431 -4.540 227 HA GLU 27 HA GLU 27 -0.080 0.197 -4.972 228 1HB GLU 27 2HB GLU 27 0.470 2.439 -6.394 229 2HB GLU 27 1HB GLU 27 1.438 1.265 -7.275 230 1HG GLU 27 2HG GLU 27 -0.447 -0.029 -7.828 231 2HG GLU 27 1HG GLU 27 -1.462 0.811 -6.657 232 H LEU 28 H LEU 28 3.357 0.745 -5.137 233 HA LEU 28 HA LEU 28 4.054 -1.623 -6.525 234 1HB LEU 28 2HB LEU 28 5.718 0.003 -6.529 235 2HB LEU 28 1HB LEU 28 5.489 0.391 -4.839 236 HG LEU 28 HG LEU 28 6.647 -2.269 -5.572 237 1HD1 LEU 28 1HD1 LEU 28 7.911 0.385 -5.939 238 2HD1 LEU 28 2HD1 LEU 28 8.195 -1.136 -6.787 239 3HD1 LEU 28 3HD1 LEU 28 8.883 -0.878 -5.183 240 1HD2 LEU 28 1HD2 LEU 28 6.302 -2.132 -3.291 241 2HD2 LEU 28 2HD2 LEU 28 6.664 -0.407 -3.236 242 3HD2 LEU 28 3HD2 LEU 28 7.969 -1.575 -3.438 243 H ILE 29 H ILE 29 3.888 -0.797 -3.073 244 HA ILE 29 HA ILE 29 4.652 -3.381 -2.167 245 HB ILE 29 HB ILE 29 3.038 -1.311 -0.667 246 1HG1 ILE 29 2HG1 ILE 29 5.968 -1.626 -0.255 247 2HG1 ILE 29 1HG1 ILE 29 5.444 -0.775 -1.702 248 1HG2 ILE 29 1HG2 ILE 29 3.082 -3.616 0.269 249 2HG2 ILE 29 2HG2 ILE 29 3.801 -2.398 1.323 250 3HG2 ILE 29 3HG2 ILE 29 4.836 -3.482 0.392 251 1HD1 ILE 29 1HD1 ILE 29 4.084 0.115 0.711 252 2HD1 ILE 29 2HD1 ILE 29 4.885 1.048 -0.551 253 3HD1 ILE 29 3HD1 ILE 29 5.831 0.342 0.759 254 H GLU 30 H GLU 30 1.630 -1.864 -3.047 255 HA GLU 30 HA GLU 30 -0.038 -3.944 -1.982 256 1HB GLU 30 2HB GLU 30 -0.614 -1.446 -2.531 257 2HB GLU 30 1HB GLU 30 -0.917 -2.066 -4.148 258 1HG GLU 30 2HG GLU 30 -2.434 -3.779 -2.978 259 2HG GLU 30 1HG GLU 30 -2.347 -2.686 -1.597 260 H ASN 31 H ASN 31 1.521 -3.228 -5.026 261 HA ASN 31 HA ASN 31 0.096 -5.083 -6.624 262 1HB ASN 31 2HB ASN 31 2.657 -3.562 -6.887 263 2HB ASN 31 1HB ASN 31 2.349 -4.885 -8.004 264 1HD2 ASN 31 1HD2 ASN 31 2.625 -2.332 -8.916 265 2HD2 ASN 31 2HD2 ASN 31 1.105 -1.749 -9.494 266 H GLU 32 H GLU 32 2.932 -5.326 -4.582 267 HA GLU 32 HA GLU 32 3.619 -7.979 -5.458 268 1HB GLU 32 2HB GLU 32 5.217 -6.258 -4.438 269 2HB GLU 32 1HB GLU 32 4.494 -6.661 -2.887 270 1HG GLU 32 2HG GLU 32 5.506 -8.680 -2.779 271 2HG GLU 32 1HG GLU 32 5.463 -8.919 -4.525 272 H ILE 33 H ILE 33 2.063 -6.520 -2.650 273 HA ILE 33 HA ILE 33 1.522 -8.883 -1.222 274 HB ILE 33 HB ILE 33 0.122 -6.196 -1.259 275 1HG1 ILE 33 2HG1 ILE 33 1.919 -7.360 0.862 276 2HG1 ILE 33 1HG1 ILE 33 2.533 -6.400 -0.479 277 1HG2 ILE 33 1HG2 ILE 33 -1.395 -8.003 -0.443 278 2HG2 ILE 33 2HG2 ILE 33 -1.026 -6.768 0.759 279 3HG2 ILE 33 3HG2 ILE 33 -0.225 -8.334 0.834 280 1HD1 ILE 33 1HD1 ILE 33 0.478 -5.443 1.496 281 2HD1 ILE 33 2HD1 ILE 33 1.276 -4.491 0.244 282 3HD1 ILE 33 3HD1 ILE 33 2.207 -5.117 1.606 283 H LYS 34 H LYS 34 -0.087 -7.285 -3.899 284 HA LYS 34 HA LYS 34 -2.510 -8.778 -3.750 285 1HB LYS 34 2HB LYS 34 -1.265 -6.829 -5.582 286 2HB LYS 34 1HB LYS 34 -2.357 -7.969 -6.355 287 1HG LYS 34 2HG LYS 34 -4.156 -7.305 -4.898 288 2HG LYS 34 1HG LYS 34 -3.070 -6.252 -3.990 289 1HD LYS 34 2HD LYS 34 -2.685 -5.304 -6.486 290 2HD LYS 34 1HD LYS 34 -4.360 -5.845 -6.612 291 1HE LYS 34 2HE LYS 34 -4.409 -4.563 -4.224 292 2HE LYS 34 1HE LYS 34 -3.198 -3.616 -5.086 293 1HZ LYS 34 1HZ LYS 34 -5.736 -4.258 -6.421 294 2HZ LYS 34 2HZ LYS 34 -4.711 -2.931 -6.646 295 3HZ LYS 34 3HZ LYS 34 -5.699 -3.013 -5.275 296 H ARG 35 H ARG 35 0.393 -9.014 -5.792 297 HA ARG 35 HA ARG 35 -0.468 -11.381 -7.122 298 1HB ARG 35 2HB ARG 35 1.679 -9.543 -7.344 299 2HB ARG 35 1HB ARG 35 2.396 -11.135 -7.142 300 1HG ARG 35 2HG ARG 35 0.178 -11.021 -9.059 301 2HG ARG 35 1HG ARG 35 1.603 -10.081 -9.507 302 1HD ARG 35 2HD ARG 35 2.999 -11.982 -9.446 303 2HD ARG 35 1HD ARG 35 1.781 -12.943 -8.606 304 HE ARG 35 HE ARG 35 0.882 -13.470 -10.632 305 1HH1 ARG 35 1HH1 ARG 35 2.819 -10.585 -11.034 306 2HH1 ARG 35 2HH1 ARG 35 2.616 -10.543 -12.752 307 1HH2 ARG 35 1HH2 ARG 35 0.620 -13.407 -12.889 308 2HH2 ARG 35 2HH2 ARG 35 1.370 -12.141 -13.804 309 H ARG 36 H ARG 36 1.105 -10.733 -4.106 310 HA ARG 36 HA ARG 36 2.160 -13.395 -3.785 311 1HB ARG 36 2HB ARG 36 2.113 -10.892 -2.165 312 2HB ARG 36 1HB ARG 36 2.419 -12.410 -1.342 313 1HG ARG 36 2HG ARG 36 4.049 -12.316 -3.671 314 2HG ARG 36 1HG ARG 36 4.223 -10.789 -2.806 315 1HD ARG 36 2HD ARG 36 5.547 -11.766 -1.314 316 2HD ARG 36 1HD ARG 36 4.276 -12.918 -0.908 317 HE ARG 36 HE ARG 36 6.601 -13.417 -2.472 318 1HH1 ARG 36 1HH1 ARG 36 3.245 -14.338 -2.102 319 2HH1 ARG 36 2HH1 ARG 36 3.475 -15.906 -2.799 320 1HH2 ARG 36 1HH2 ARG 36 6.892 -15.478 -3.386 321 2HH2 ARG 36 2HH2 ARG 36 5.541 -16.553 -3.527 322 H SER 37 H SER 37 -0.946 -12.425 -3.791 323 HA SER 37 HA SER 37 -2.875 -13.251 -2.913 324 1HB SER 37 2HB SER 37 -1.803 -15.444 -3.430 325 2HB SER 37 1HB SER 37 -1.126 -15.461 -1.801 326 HG SER 37 HG SER 37 -3.067 -16.639 -1.892 327 H LEU 38 H LEU 38 -1.285 -11.360 -1.455 328 HA LEU 38 HA LEU 38 -2.112 -11.968 1.311 329 1HB LEU 38 2HB LEU 38 0.359 -11.886 0.879 330 2HB LEU 38 1HB LEU 38 0.174 -10.204 0.434 331 HG LEU 38 HG LEU 38 -0.961 -10.180 2.898 332 1HD1 LEU 38 1HD1 LEU 38 1.125 -12.344 2.905 333 2HD1 LEU 38 2HD1 LEU 38 -0.550 -12.448 3.449 334 3HD1 LEU 38 3HD1 LEU 38 0.613 -11.480 4.355 335 1HD2 LEU 38 1HD2 LEU 38 0.586 -8.543 2.631 336 2HD2 LEU 38 2HD2 LEU 38 1.736 -9.610 1.827 337 3HD2 LEU 38 3HD2 LEU 38 1.570 -9.653 3.581 338 H GLY 39 H GLY 39 -3.385 -10.465 -1.115 339 1HA GLY 39 2HA GLY 39 -3.521 -7.733 -0.318 340 2HA GLY 39 1HA GLY 39 -4.577 -8.522 -1.469 341 H HIS 40 H HIS 40 -4.873 -10.476 1.101 342 HA HIS 40 HA HIS 40 -7.357 -9.258 1.910 343 1HB HIS 40 2HB HIS 40 -7.523 -11.305 3.379 344 2HB HIS 40 1HB HIS 40 -7.385 -11.636 1.655 345 HD1 HIS 40 1HD HIS 40 -5.839 -13.493 1.182 346 HD2 HIS 40 2HD HIS 40 -4.715 -11.393 4.587 347 HE1 HIS 40 1HE HIS 40 -3.785 -14.661 2.044 348 HE2 HIS 40 2HE HIS 40 -3.173 -13.423 4.152 349 H ILE 41 H ILE 41 -4.119 -9.610 3.139 350 HA ILE 41 HA ILE 41 -4.640 -8.988 5.850 351 HB ILE 41 HB ILE 41 -2.518 -10.007 4.711 352 1HG1 ILE 41 2HG1 ILE 41 -1.131 -9.342 6.614 353 2HG1 ILE 41 1HG1 ILE 41 -2.258 -8.039 6.984 354 1HG2 ILE 41 1HG2 ILE 41 -1.503 -7.195 4.825 355 2HG2 ILE 41 2HG2 ILE 41 -2.173 -7.869 3.342 356 3HG2 ILE 41 3HG2 ILE 41 -0.766 -8.614 4.090 357 1HD1 ILE 41 1HD1 ILE 41 -3.876 -9.493 7.743 358 2HD1 ILE 41 2HD1 ILE 41 -2.390 -10.277 8.275 359 3HD1 ILE 41 3HD1 ILE 41 -3.224 -10.855 6.834 360 H ILE 42 H ILE 42 -3.977 -7.103 2.993 361 HA ILE 42 HA ILE 42 -3.787 -4.575 4.374 362 HB ILE 42 HB ILE 42 -3.821 -3.632 2.021 363 1HG1 ILE 42 2HG1 ILE 42 -3.494 -6.505 1.194 364 2HG1 ILE 42 1HG1 ILE 42 -5.026 -5.653 1.095 365 1HG2 ILE 42 1HG2 ILE 42 -1.757 -4.220 3.327 366 2HG2 ILE 42 2HG2 ILE 42 -1.572 -4.176 1.574 367 3HG2 ILE 42 3HG2 ILE 42 -1.708 -5.724 2.408 368 1HD1 ILE 42 1HD1 ILE 42 -3.904 -3.978 -0.373 369 2HD1 ILE 42 2HD1 ILE 42 -4.000 -5.603 -1.052 370 3HD1 ILE 42 3HD1 ILE 42 -2.481 -5.020 -0.371 371 H SER 43 H SER 43 -5.200 -2.754 3.842 372 HA SER 43 HA SER 43 -7.999 -3.606 3.722 373 1HB SER 43 2HB SER 43 -7.483 -2.180 5.604 374 2HB SER 43 1HB SER 43 -6.719 -0.989 4.551 375 HG SER 43 HG SER 43 -8.790 -0.297 5.018 376 H VAL 44 H VAL 44 -7.676 -4.059 1.410 377 HA VAL 44 HA VAL 44 -7.216 -1.874 -0.395 378 HB VAL 44 HB VAL 44 -8.490 -4.403 -1.350 379 1HG1 VAL 44 1HG1 VAL 44 -7.602 -2.296 -2.675 380 2HG1 VAL 44 2HG1 VAL 44 -7.464 -3.930 -3.324 381 3HG1 VAL 44 3HG1 VAL 44 -6.075 -3.169 -2.548 382 1HG2 VAL 44 1HG2 VAL 44 -6.988 -5.613 -0.167 383 2HG2 VAL 44 2HG2 VAL 44 -5.898 -4.244 0.044 384 3HG2 VAL 44 3HG2 VAL 44 -5.906 -5.135 -1.478 385 H SER 45 H SER 45 -8.672 -0.749 -1.623 386 HA SER 45 HA SER 45 -11.467 -0.944 -0.762 387 1HB SER 45 2HB SER 45 -10.634 1.265 -0.482 388 2HB SER 45 1HB SER 45 -9.879 1.262 -2.076 389 HG SER 45 HG SER 45 -11.886 1.389 -3.014 390 H SER 46 H SER 46 -12.179 -2.656 -2.029 391 HA SER 46 HA SER 46 -11.713 -2.900 -4.801 392 1HB SER 46 2HB SER 46 -14.088 -3.998 -3.284 393 2HB SER 46 1HB SER 46 -13.385 -4.626 -4.775 394 HG SER 46 HG SER 46 -12.434 -5.877 -3.327 Start of MODEL 21 1 1H MET 1 1HT MET 1 10.983 -3.688 -4.721 2 2H MET 1 2HT MET 1 9.634 -3.170 -3.796 3 3H MET 1 3HT MET 1 9.474 -4.481 -4.891 4 HA MET 1 HA MET 1 10.971 -4.376 -2.369 5 1HB MET 1 2HB MET 1 8.657 -5.999 -3.437 6 2HB MET 1 1HB MET 1 9.489 -6.370 -1.934 7 1HG MET 1 2HG MET 1 8.269 -3.680 -2.424 8 2HG MET 1 1HG MET 1 7.317 -5.033 -1.817 9 1HE MET 1 1HE MET 1 8.568 -2.113 0.772 10 2HE MET 1 2HE MET 1 8.175 -2.116 -0.947 11 3HE MET 1 3HE MET 1 9.860 -2.104 -0.427 12 H ARG 2 H ARG 2 12.794 -5.514 -2.282 13 HA ARG 2 HA ARG 2 13.574 -7.179 -4.512 14 1HB ARG 2 2HB ARG 2 15.023 -5.551 -3.011 15 2HB ARG 2 1HB ARG 2 15.202 -6.990 -2.018 16 1HG ARG 2 2HG ARG 2 15.789 -8.041 -4.404 17 2HG ARG 2 1HG ARG 2 16.298 -6.375 -4.688 18 1HD ARG 2 2HD ARG 2 17.825 -6.441 -2.876 19 2HD ARG 2 1HD ARG 2 17.153 -7.956 -2.275 20 HE ARG 2 HE ARG 2 19.138 -7.639 -4.303 21 1HH1 ARG 2 1HH1 ARG 2 16.520 -9.704 -3.242 22 2HH1 ARG 2 2HH1 ARG 2 17.164 -11.116 -4.010 23 1HH2 ARG 2 1HH2 ARG 2 19.976 -9.499 -5.306 24 2HH2 ARG 2 2HH2 ARG 2 19.122 -11.001 -5.179 25 H LYS 3 H LYS 3 13.153 -7.649 -1.004 26 HA LYS 3 HA LYS 3 11.903 -10.143 -1.227 27 1HB LYS 3 2HB LYS 3 14.401 -10.573 -1.957 28 2HB LYS 3 1HB LYS 3 14.688 -10.568 -0.223 29 1HG LYS 3 2HG LYS 3 14.371 -12.822 -0.907 30 2HG LYS 3 1HG LYS 3 12.940 -12.330 0.001 31 1HD LYS 3 2HD LYS 3 11.836 -13.220 -1.752 32 2HD LYS 3 1HD LYS 3 12.185 -11.664 -2.508 33 1HE LYS 3 2HE LYS 3 14.083 -12.555 -3.642 34 2HE LYS 3 1HE LYS 3 14.001 -14.057 -2.722 35 1HZ LYS 3 1HZ LYS 3 12.935 -14.759 -4.560 36 2HZ LYS 3 2HZ LYS 3 12.452 -13.207 -5.029 37 3HZ LYS 3 3HZ LYS 3 11.589 -14.035 -3.832 38 H LEU 4 H LEU 4 10.634 -9.167 0.368 39 HA LEU 4 HA LEU 4 11.836 -9.209 3.054 40 1HB LEU 4 2HB LEU 4 9.660 -7.263 2.428 41 2HB LEU 4 1HB LEU 4 10.871 -7.204 3.691 42 HG LEU 4 HG LEU 4 11.421 -6.725 0.759 43 1HD1 LEU 4 1HD1 LEU 4 11.328 -4.456 1.130 44 2HD1 LEU 4 2HD1 LEU 4 11.553 -4.623 2.872 45 3HD1 LEU 4 3HD1 LEU 4 10.001 -5.031 2.140 46 1HD2 LEU 4 1HD2 LEU 4 13.115 -7.001 3.156 47 2HD2 LEU 4 2HD2 LEU 4 13.490 -5.639 2.100 48 3HD2 LEU 4 3HD2 LEU 4 13.495 -7.280 1.457 49 H SER 5 H SER 5 10.534 -9.965 4.702 50 HA SER 5 HA SER 5 8.559 -11.852 4.044 51 1HB SER 5 2HB SER 5 9.264 -10.541 6.673 52 2HB SER 5 1HB SER 5 8.095 -11.853 6.526 53 HG SER 5 HG SER 5 10.566 -12.204 6.916 54 H ASP 6 H ASP 6 6.289 -11.837 4.861 55 HA ASP 6 HA ASP 6 4.856 -9.690 3.774 56 1HB ASP 6 2HB ASP 6 3.580 -11.312 5.949 57 2HB ASP 6 1HB ASP 6 2.902 -10.733 4.439 58 H GLU 7 H GLU 7 6.284 -10.105 6.897 59 HA GLU 7 HA GLU 7 4.711 -8.132 8.232 60 1HB GLU 7 2HB GLU 7 6.901 -9.910 8.889 61 2HB GLU 7 1HB GLU 7 7.188 -8.305 9.547 62 1HG GLU 7 2HG GLU 7 4.903 -8.406 10.558 63 2HG GLU 7 1HG GLU 7 4.825 -10.092 10.049 64 H LEU 8 H LEU 8 7.718 -8.141 6.440 65 HA LEU 8 HA LEU 8 8.288 -5.370 7.021 66 1HB LEU 8 2HB LEU 8 9.577 -7.519 5.415 67 2HB LEU 8 1HB LEU 8 9.981 -5.849 5.060 68 HG LEU 8 HG LEU 8 11.540 -7.006 6.634 69 1HD1 LEU 8 1HD1 LEU 8 10.240 -4.701 8.017 70 2HD1 LEU 8 2HD1 LEU 8 11.071 -4.486 6.476 71 3HD1 LEU 8 3HD1 LEU 8 11.954 -5.095 7.876 72 1HD2 LEU 8 1HD2 LEU 8 9.428 -8.057 7.833 73 2HD2 LEU 8 2HD2 LEU 8 9.590 -6.612 8.830 74 3HD2 LEU 8 3HD2 LEU 8 10.933 -7.749 8.699 75 H LEU 9 H LEU 9 6.862 -7.262 4.454 76 HA LEU 9 HA LEU 9 6.722 -5.116 2.566 77 1HB LEU 9 2HB LEU 9 6.805 -7.390 1.771 78 2HB LEU 9 1HB LEU 9 5.377 -7.810 2.694 79 HG LEU 9 HG LEU 9 4.092 -6.185 1.241 80 1HD1 LEU 9 1HD1 LEU 9 5.016 -5.170 -0.566 81 2HD1 LEU 9 2HD1 LEU 9 6.217 -6.439 -0.806 82 3HD1 LEU 9 3HD1 LEU 9 6.450 -5.233 0.460 83 1HD2 LEU 9 1HD2 LEU 9 5.381 -8.656 0.107 84 2HD2 LEU 9 2HD2 LEU 9 4.100 -7.777 -0.727 85 3HD2 LEU 9 3HD2 LEU 9 3.791 -8.497 0.853 86 H ILE 10 H ILE 10 4.416 -6.680 4.750 87 HA ILE 10 HA ILE 10 2.243 -5.047 3.967 88 HB ILE 10 HB ILE 10 2.623 -6.706 6.453 89 1HG1 ILE 10 2HG1 ILE 10 0.922 -7.240 4.021 90 2HG1 ILE 10 1HG1 ILE 10 2.588 -7.797 4.158 91 1HG2 ILE 10 1HG2 ILE 10 0.959 -5.151 7.052 92 2HG2 ILE 10 2HG2 ILE 10 0.076 -6.581 6.514 93 3HG2 ILE 10 3HG2 ILE 10 0.233 -5.187 5.444 94 1HD1 ILE 10 1HD1 ILE 10 2.068 -9.397 5.651 95 2HD1 ILE 10 2HD1 ILE 10 0.511 -9.283 4.835 96 3HD1 ILE 10 3HD1 ILE 10 0.762 -8.459 6.373 97 H GLU 11 H GLU 11 4.674 -4.790 6.512 98 HA GLU 11 HA GLU 11 3.514 -2.628 7.894 99 1HB GLU 11 2HB GLU 11 6.216 -3.814 7.712 100 2HB GLU 11 1HB GLU 11 6.153 -2.149 8.244 101 1HG GLU 11 2HG GLU 11 6.153 -3.819 10.082 102 2HG GLU 11 1HG GLU 11 4.790 -2.701 10.108 103 H SER 12 H SER 12 5.283 -2.847 4.897 104 HA SER 12 HA SER 12 5.949 -0.090 4.672 105 1HB SER 12 2HB SER 12 5.524 -2.055 2.409 106 2HB SER 12 1HB SER 12 6.495 -0.583 2.377 107 HG SER 12 HG SER 12 7.751 -1.647 4.107 108 H TYR 13 H TYR 13 3.307 -2.087 3.405 109 HA TYR 13 HA TYR 13 1.949 0.002 2.069 110 1HB TYR 13 2HB TYR 13 1.559 -2.440 1.695 111 2HB TYR 13 1HB TYR 13 0.751 -2.511 3.254 112 HD1 TYR 13 1HD TYR 13 0.584 -0.848 -0.069 113 HD2 TYR 13 2HD TYR 13 -1.529 -2.034 3.427 114 HE1 TYR 13 1HE TYR 13 -1.534 -0.197 -1.137 115 HE2 TYR 13 2HE TYR 13 -3.653 -1.389 2.369 116 HH TYR 13 HH TYR 13 -3.818 0.483 -0.432 117 H PHE 14 H PHE 14 1.853 -1.237 5.341 118 HA PHE 14 HA PHE 14 -0.415 0.302 6.157 119 1HB PHE 14 2HB PHE 14 1.689 -1.201 7.696 120 2HB PHE 14 1HB PHE 14 0.359 -0.370 8.477 121 HD1 PHE 14 1HD PHE 14 0.090 -2.745 9.438 122 HD2 PHE 14 2HD PHE 14 -0.664 -1.778 5.359 123 HE1 PHE 14 1HE PHE 14 -1.283 -4.774 9.210 124 HE2 PHE 14 2HE PHE 14 -2.036 -3.801 5.130 125 HZ PHE 14 HZ PHE 14 -2.348 -5.310 7.051 126 H LYS 15 H LYS 15 3.079 0.637 6.443 127 HA LYS 15 HA LYS 15 3.053 2.990 8.014 128 1HB LYS 15 2HB LYS 15 5.084 1.563 6.348 129 2HB LYS 15 1HB LYS 15 5.421 3.211 6.849 130 1HG LYS 15 2HG LYS 15 5.670 2.648 9.038 131 2HG LYS 15 1HG LYS 15 4.528 1.313 8.942 132 1HD LYS 15 2HD LYS 15 6.950 0.684 9.306 133 2HD LYS 15 1HD LYS 15 6.143 -0.121 7.966 134 1HE LYS 15 2HE LYS 15 7.643 0.665 6.524 135 2HE LYS 15 1HE LYS 15 7.359 2.320 7.061 136 1HZ LYS 15 1HZ LYS 15 9.683 1.103 7.343 137 2HZ LYS 15 2HZ LYS 15 8.974 0.635 8.805 138 3HZ LYS 15 3HZ LYS 15 9.138 2.276 8.433 139 H ALA 16 H ALA 16 3.566 2.454 4.537 140 HA ALA 16 HA ALA 16 3.743 5.141 3.793 141 1HB ALA 16 1HB ALA 16 2.994 2.657 2.287 142 2HB ALA 16 2HB ALA 16 4.486 3.595 2.208 143 3HB ALA 16 3HB ALA 16 3.000 4.241 1.509 144 H THR 17 H THR 17 0.942 3.129 4.408 145 HA THR 17 HA THR 17 -0.922 4.908 3.174 146 HB THR 17 HB THR 17 -2.574 3.618 4.700 147 HG1 THR 17 1HG THR 17 -1.495 2.548 6.164 148 1HG2 THR 17 1HG2 THR 17 -2.812 2.766 2.643 149 2HG2 THR 17 2HG2 THR 17 -1.920 1.405 3.325 150 3HG2 THR 17 3HG2 THR 17 -1.074 2.629 2.380 151 H GLU 18 H GLU 18 0.531 4.602 6.335 152 HA GLU 18 HA GLU 18 -1.221 6.474 7.615 153 1HB GLU 18 2HB GLU 18 1.177 4.912 8.366 154 2HB GLU 18 1HB GLU 18 0.912 6.402 9.260 155 1HG GLU 18 2HG GLU 18 -1.295 5.645 9.918 156 2HG GLU 18 1HG GLU 18 -1.088 4.173 8.970 157 H MET 19 H MET 19 2.156 6.587 6.541 158 HA MET 19 HA MET 19 2.387 9.394 7.064 159 1HB MET 19 2HB MET 19 4.591 9.142 5.920 160 2HB MET 19 1HB MET 19 4.353 8.087 7.300 161 1HG MET 19 2HG MET 19 3.490 6.591 5.131 162 2HG MET 19 1HG MET 19 4.909 7.446 4.540 163 1HE MET 19 1HE MET 19 5.559 3.917 4.985 164 2HE MET 19 2HE MET 19 7.082 4.806 4.921 165 3HE MET 19 3HE MET 19 5.699 5.356 3.977 166 H ASN 20 H ASN 20 1.180 7.559 4.461 167 HA ASN 20 HA ASN 20 0.249 8.181 2.481 168 1HB ASN 20 2HB ASN 20 1.116 11.021 2.986 169 2HB ASN 20 1HB ASN 20 -0.203 10.455 1.967 170 1HD2 ASN 20 1HD2 ASN 20 -1.850 9.096 3.240 171 2HD2 ASN 20 2HD2 ASN 20 -2.360 9.768 4.747 172 H LEU 21 H LEU 21 2.779 7.135 2.582 173 HA LEU 21 HA LEU 21 4.786 8.541 1.240 174 1HB LEU 21 2HB LEU 21 4.758 6.201 2.438 175 2HB LEU 21 1HB LEU 21 4.411 5.599 0.830 176 HG LEU 21 HG LEU 21 6.769 7.386 1.257 177 1HD1 LEU 21 1HD1 LEU 21 7.488 5.934 2.823 178 2HD1 LEU 21 2HD1 LEU 21 7.939 4.986 1.406 179 3HD1 LEU 21 3HD1 LEU 21 6.438 4.633 2.261 180 1HD2 LEU 21 1HD2 LEU 21 7.067 6.926 -0.899 181 2HD2 LEU 21 2HD2 LEU 21 5.668 5.855 -0.895 182 3HD2 LEU 21 3HD2 LEU 21 7.264 5.221 -0.499 183 H ASN 22 H ASN 22 5.552 8.226 -0.987 184 HA ASN 22 HA ASN 22 3.886 9.018 -2.953 185 1HB ASN 22 2HB ASN 22 6.408 8.705 -3.055 186 2HB ASN 22 1HB ASN 22 6.087 7.038 -3.521 187 1HD2 ASN 22 1HD2 ASN 22 7.461 8.173 -5.320 188 2HD2 ASN 22 2HD2 ASN 22 6.538 8.743 -6.665 189 H ARG 23 H ARG 23 2.463 8.204 -4.392 190 HA ARG 23 HA ARG 23 0.987 5.936 -3.802 191 1HB ARG 23 2HB ARG 23 0.318 7.900 -5.252 192 2HB ARG 23 1HB ARG 23 1.219 7.139 -6.555 193 1HG ARG 23 2HG ARG 23 -0.302 5.446 -6.806 194 2HG ARG 23 1HG ARG 23 -0.857 5.549 -5.135 195 1HD ARG 23 2HD ARG 23 -2.480 6.982 -5.670 196 2HD ARG 23 1HD ARG 23 -1.377 7.999 -6.599 197 HE ARG 23 HE ARG 23 -1.916 5.726 -8.117 198 1HH1 ARG 23 1HH1 ARG 23 -3.643 8.502 -6.870 199 2HH1 ARG 23 2HH1 ARG 23 -4.795 8.516 -8.162 200 1HH2 ARG 23 1HH2 ARG 23 -3.433 5.752 -9.810 201 2HH2 ARG 23 2HH2 ARG 23 -4.676 6.958 -9.828 202 H ASP 24 H ASP 24 3.839 6.245 -5.798 203 HA ASP 24 HA ASP 24 3.567 3.794 -7.168 204 1HB ASP 24 2HB ASP 24 5.843 5.662 -6.631 205 2HB ASP 24 1HB ASP 24 6.184 4.069 -7.299 206 H PHE 25 H PHE 25 4.898 4.631 -4.041 207 HA PHE 25 HA PHE 25 6.110 2.075 -3.586 208 1HB PHE 25 2HB PHE 25 6.620 4.396 -2.468 209 2HB PHE 25 1HB PHE 25 5.321 3.939 -1.371 210 HD1 PHE 25 1HD PHE 25 6.324 3.446 0.646 211 HD2 PHE 25 2HD PHE 25 7.990 1.873 -2.939 212 HE1 PHE 25 1HE PHE 25 7.915 2.119 1.973 213 HE2 PHE 25 2HE PHE 25 9.583 0.541 -1.619 214 HZ PHE 25 HZ PHE 25 9.547 0.662 0.840 215 H ILE 26 H ILE 26 3.141 3.708 -2.591 216 HA ILE 26 HA ILE 26 2.104 1.647 -0.984 217 HB ILE 26 HB ILE 26 0.705 3.826 -2.545 218 1HG1 ILE 26 2HG1 ILE 26 1.506 3.563 0.361 219 2HG1 ILE 26 1HG1 ILE 26 2.189 4.671 -0.825 220 1HG2 ILE 26 1HG2 ILE 26 -0.434 1.976 -0.444 221 2HG2 ILE 26 2HG2 ILE 26 -0.893 2.045 -2.145 222 3HG2 ILE 26 3HG2 ILE 26 -1.247 3.405 -1.080 223 1HD1 ILE 26 1HD1 ILE 26 -0.506 4.755 0.481 224 2HD1 ILE 26 2HD1 ILE 26 -0.156 5.658 -0.992 225 3HD1 ILE 26 3HD1 ILE 26 0.764 5.980 0.477 226 H GLU 27 H GLU 27 1.779 2.358 -4.442 227 HA GLU 27 HA GLU 27 0.006 0.172 -4.940 228 1HB GLU 27 2HB GLU 27 0.625 2.401 -6.336 229 2HB GLU 27 1HB GLU 27 1.653 1.241 -7.160 230 1HG GLU 27 2HG GLU 27 -0.704 -0.110 -7.049 231 2HG GLU 27 1HG GLU 27 -1.251 1.557 -7.216 232 H LEU 28 H LEU 28 3.458 0.672 -4.998 233 HA LEU 28 HA LEU 28 4.155 -1.714 -6.352 234 1HB LEU 28 2HB LEU 28 5.825 -0.091 -6.330 235 2HB LEU 28 1HB LEU 28 5.582 0.283 -4.639 236 HG LEU 28 HG LEU 28 6.724 -2.379 -5.389 237 1HD1 LEU 28 1HD1 LEU 28 8.858 -1.582 -5.729 238 2HD1 LEU 28 2HD1 LEU 28 8.520 -0.037 -4.950 239 3HD1 LEU 28 3HD1 LEU 28 7.893 -0.364 -6.564 240 1HD2 LEU 28 1HD2 LEU 28 6.359 -2.271 -3.113 241 2HD2 LEU 28 2HD2 LEU 28 6.718 -0.546 -3.031 242 3HD2 LEU 28 3HD2 LEU 28 8.027 -1.710 -3.231 243 H ILE 29 H ILE 29 3.921 -0.865 -2.913 244 HA ILE 29 HA ILE 29 4.651 -3.448 -1.975 245 HB ILE 29 HB ILE 29 3.033 -1.346 -0.524 246 1HG1 ILE 29 2HG1 ILE 29 5.959 -1.714 -0.085 247 2HG1 ILE 29 1HG1 ILE 29 5.447 -0.835 -1.521 248 1HG2 ILE 29 1HG2 ILE 29 3.544 -2.450 1.461 249 2HG2 ILE 29 2HG2 ILE 29 4.844 -3.383 0.720 250 3HG2 ILE 29 3HG2 ILE 29 3.163 -3.761 0.346 251 1HD1 ILE 29 1HD1 ILE 29 4.340 0.810 -0.206 252 2HD1 ILE 29 2HD1 ILE 29 5.958 0.586 0.456 253 3HD1 ILE 29 3HD1 ILE 29 4.567 -0.136 1.265 254 H GLU 30 H GLU 30 1.656 -1.912 -2.916 255 HA GLU 30 HA GLU 30 -0.039 -3.982 -1.872 256 1HB GLU 30 2HB GLU 30 -0.665 -1.528 -2.346 257 2HB GLU 30 1HB GLU 30 -0.802 -2.022 -4.028 258 1HG GLU 30 2HG GLU 30 -2.301 -3.920 -2.815 259 2HG GLU 30 1HG GLU 30 -2.579 -2.539 -1.754 260 H ASN 31 H ASN 31 1.545 -3.258 -4.903 261 HA ASN 31 HA ASN 31 0.134 -5.149 -6.483 262 1HB ASN 31 2HB ASN 31 2.634 -3.540 -6.796 263 2HB ASN 31 1HB ASN 31 2.356 -4.879 -7.903 264 1HD2 ASN 31 1HD2 ASN 31 2.356 -3.095 -9.470 265 2HD2 ASN 31 2HD2 ASN 31 0.869 -2.270 -9.774 266 H GLU 32 H GLU 32 2.871 -5.357 -4.340 267 HA GLU 32 HA GLU 32 3.705 -7.947 -5.308 268 1HB GLU 32 2HB GLU 32 5.351 -6.399 -4.334 269 2HB GLU 32 1HB GLU 32 4.488 -6.436 -2.803 270 1HG GLU 32 2HG GLU 32 6.276 -7.888 -2.492 271 2HG GLU 32 1HG GLU 32 4.909 -8.951 -2.826 272 H ILE 33 H ILE 33 2.063 -6.623 -2.482 273 HA ILE 33 HA ILE 33 1.567 -9.088 -1.189 274 HB ILE 33 HB ILE 33 0.039 -6.479 -1.023 275 1HG1 ILE 33 2HG1 ILE 33 2.080 -7.475 0.948 276 2HG1 ILE 33 1HG1 ILE 33 2.558 -6.543 -0.467 277 1HG2 ILE 33 1HG2 ILE 33 -1.143 -7.261 0.758 278 2HG2 ILE 33 2HG2 ILE 33 0.135 -8.364 1.265 279 3HG2 ILE 33 3HG2 ILE 33 -0.913 -8.792 -0.084 280 1HD1 ILE 33 1HD1 ILE 33 0.605 -5.616 1.623 281 2HD1 ILE 33 2HD1 ILE 33 1.219 -4.678 0.262 282 3HD1 ILE 33 3HD1 ILE 33 2.311 -5.173 1.557 283 H LYS 34 H LYS 34 -0.076 -7.282 -3.711 284 HA LYS 34 HA LYS 34 -2.505 -8.758 -3.646 285 1HB LYS 34 2HB LYS 34 -1.215 -6.828 -5.514 286 2HB LYS 34 1HB LYS 34 -2.516 -7.833 -6.143 287 1HG LYS 34 2HG LYS 34 -2.990 -6.444 -3.571 288 2HG LYS 34 1HG LYS 34 -2.956 -5.465 -5.036 289 1HD LYS 34 2HD LYS 34 -4.738 -6.693 -6.005 290 2HD LYS 34 1HD LYS 34 -4.632 -7.949 -4.769 291 1HE LYS 34 2HE LYS 34 -5.169 -6.065 -3.106 292 2HE LYS 34 1HE LYS 34 -5.677 -5.148 -4.523 293 1HZ LYS 34 1HZ LYS 34 -6.886 -7.537 -3.324 294 2HZ LYS 34 2HZ LYS 34 -7.045 -7.304 -4.991 295 3HZ LYS 34 3HZ LYS 34 -7.628 -6.136 -3.916 296 H ARG 35 H ARG 35 0.454 -8.979 -5.588 297 HA ARG 35 HA ARG 35 -0.429 -11.222 -7.114 298 1HB ARG 35 2HB ARG 35 1.332 -9.708 -7.920 299 2HB ARG 35 1HB ARG 35 2.371 -10.201 -6.591 300 1HG ARG 35 2HG ARG 35 3.201 -11.766 -7.919 301 2HG ARG 35 1HG ARG 35 1.638 -12.581 -7.839 302 1HD ARG 35 2HD ARG 35 1.617 -12.337 -10.066 303 2HD ARG 35 1HD ARG 35 1.176 -10.664 -9.725 304 HE ARG 35 HE ARG 35 3.259 -9.999 -10.417 305 1HH1 ARG 35 1HH1 ARG 35 3.269 -13.472 -9.991 306 2HH1 ARG 35 2HH1 ARG 35 4.826 -13.677 -10.719 307 1HH2 ARG 35 1HH2 ARG 35 5.304 -10.278 -11.372 308 2HH2 ARG 35 2HH2 ARG 35 5.980 -11.867 -11.500 309 H ARG 36 H ARG 36 0.981 -10.809 -3.980 310 HA ARG 36 HA ARG 36 1.893 -13.536 -3.739 311 1HB ARG 36 2HB ARG 36 1.879 -11.109 -2.000 312 2HB ARG 36 1HB ARG 36 2.075 -12.680 -1.241 313 1HG ARG 36 2HG ARG 36 3.934 -13.019 -3.023 314 2HG ARG 36 1HG ARG 36 3.882 -11.260 -3.142 315 1HD ARG 36 2HD ARG 36 4.819 -10.965 -1.111 316 2HD ARG 36 1HD ARG 36 3.971 -12.341 -0.406 317 HE ARG 36 HE ARG 36 6.599 -12.328 -1.546 318 1HH1 ARG 36 1HH1 ARG 36 3.813 -14.336 -0.876 319 2HH1 ARG 36 2HH1 ARG 36 4.727 -15.805 -0.856 320 1HH2 ARG 36 1HH2 ARG 36 7.791 -14.264 -1.520 321 2HH2 ARG 36 2HH2 ARG 36 6.981 -15.765 -1.221 322 H SER 37 H SER 37 -1.149 -12.431 -3.892 323 HA SER 37 HA SER 37 -3.172 -13.149 -3.146 324 1HB SER 37 2HB SER 37 -2.116 -15.365 -3.766 325 2HB SER 37 1HB SER 37 -1.698 -15.557 -2.064 326 HG SER 37 HG SER 37 -3.770 -16.495 -2.864 327 H LEU 38 H LEU 38 -1.601 -11.463 -1.462 328 HA LEU 38 HA LEU 38 -2.599 -12.271 1.197 329 1HB LEU 38 2HB LEU 38 -0.036 -12.162 0.677 330 2HB LEU 38 1HB LEU 38 -0.272 -10.434 0.850 331 HG LEU 38 HG LEU 38 -1.280 -10.934 3.130 332 1HD1 LEU 38 1HD1 LEU 38 0.124 -13.569 2.750 333 2HD1 LEU 38 2HD1 LEU 38 -1.623 -13.364 2.628 334 3HD1 LEU 38 3HD1 LEU 38 -0.800 -13.030 4.152 335 1HD2 LEU 38 1HD2 LEU 38 0.946 -9.989 2.831 336 2HD2 LEU 38 2HD2 LEU 38 1.616 -11.608 2.633 337 3HD2 LEU 38 3HD2 LEU 38 0.919 -11.126 4.178 338 H GLY 39 H GLY 39 -3.597 -10.419 -1.149 339 1HA GLY 39 2HA GLY 39 -3.572 -7.774 -0.238 340 2HA GLY 39 1HA GLY 39 -4.802 -8.456 -1.281 341 H HIS 40 H HIS 40 -5.389 -10.518 0.878 342 HA HIS 40 HA HIS 40 -7.527 -9.154 2.105 343 1HB HIS 40 2HB HIS 40 -7.772 -11.191 3.483 344 2HB HIS 40 1HB HIS 40 -7.577 -11.569 1.775 345 HD1 HIS 40 1HD HIS 40 -5.479 -12.857 1.079 346 HD2 HIS 40 2HD HIS 40 -5.605 -11.944 5.130 347 HE1 HIS 40 1HE HIS 40 -3.641 -14.213 2.130 348 HE2 HIS 40 2HE HIS 40 -3.687 -13.587 4.571 349 H ILE 41 H ILE 41 -4.199 -9.590 2.989 350 HA ILE 41 HA ILE 41 -4.465 -8.984 5.754 351 HB ILE 41 HB ILE 41 -2.530 -10.171 4.490 352 1HG1 ILE 41 2HG1 ILE 41 -0.942 -9.602 6.248 353 2HG1 ILE 41 1HG1 ILE 41 -1.880 -8.167 6.654 354 1HG2 ILE 41 1HG2 ILE 41 -1.078 -7.603 4.489 355 2HG2 ILE 41 2HG2 ILE 41 -2.208 -7.876 3.164 356 3HG2 ILE 41 3HG2 ILE 41 -0.894 -9.016 3.449 357 1HD1 ILE 41 1HD1 ILE 41 -3.210 -10.825 6.711 358 2HD1 ILE 41 2HD1 ILE 41 -3.528 -9.382 7.674 359 3HD1 ILE 41 3HD1 ILE 41 -2.117 -10.382 8.022 360 H ILE 42 H ILE 42 -4.103 -7.103 2.849 361 HA ILE 42 HA ILE 42 -3.641 -4.630 4.331 362 HB ILE 42 HB ILE 42 -3.573 -3.603 2.014 363 1HG1 ILE 42 2HG1 ILE 42 -3.413 -6.475 1.141 364 2HG1 ILE 42 1HG1 ILE 42 -4.829 -5.460 0.934 365 1HG2 ILE 42 1HG2 ILE 42 -1.543 -4.127 3.227 366 2HG2 ILE 42 2HG2 ILE 42 -1.343 -4.431 1.501 367 3HG2 ILE 42 3HG2 ILE 42 -1.591 -5.780 2.612 368 1HD1 ILE 42 1HD1 ILE 42 -2.128 -5.122 -0.329 369 2HD1 ILE 42 2HD1 ILE 42 -3.400 -3.903 -0.405 370 3HD1 ILE 42 3HD1 ILE 42 -3.657 -5.491 -1.127 371 H SER 43 H SER 43 -4.956 -2.753 3.963 372 HA SER 43 HA SER 43 -7.782 -3.431 3.711 373 1HB SER 43 2HB SER 43 -6.691 -1.925 5.567 374 2HB SER 43 1HB SER 43 -6.774 -0.669 4.332 375 HG SER 43 HG SER 43 -8.649 -1.044 5.867 376 H VAL 44 H VAL 44 -7.400 -3.845 1.389 377 HA VAL 44 HA VAL 44 -6.741 -1.708 -0.376 378 HB VAL 44 HB VAL 44 -8.378 -4.004 -1.370 379 1HG1 VAL 44 1HG1 VAL 44 -7.008 -3.800 -3.300 380 2HG1 VAL 44 2HG1 VAL 44 -5.857 -2.770 -2.449 381 3HG1 VAL 44 3HG1 VAL 44 -7.474 -2.169 -2.818 382 1HG2 VAL 44 1HG2 VAL 44 -5.565 -4.225 -0.353 383 2HG2 VAL 44 2HG2 VAL 44 -6.229 -5.329 -1.554 384 3HG2 VAL 44 3HG2 VAL 44 -6.951 -5.236 0.053 385 H SER 45 H SER 45 -8.027 -0.332 -1.522 386 HA SER 45 HA SER 45 -10.593 0.260 -0.457 387 1HB SER 45 2HB SER 45 -9.327 1.277 -3.013 388 2HB SER 45 1HB SER 45 -10.690 2.005 -2.164 389 HG SER 45 HG SER 45 -8.318 2.726 -1.809 390 H SER 46 H SER 46 -11.887 -1.559 -0.714 391 HA SER 46 HA SER 46 -12.991 -1.870 -3.400 392 1HB SER 46 2HB SER 46 -11.459 -3.689 -3.388 393 2HB SER 46 1HB SER 46 -11.870 -4.118 -1.727 394 HG SER 46 HG SER 46 -13.490 -5.245 -2.442 Start of MODEL 22 1 1H MET 1 1HT MET 1 11.908 -3.787 -0.725 2 2H MET 1 2HT MET 1 13.308 -4.266 -1.594 3 3H MET 1 3HT MET 1 12.304 -5.449 -0.860 4 HA MET 1 HA MET 1 10.484 -4.555 -2.310 5 1HB MET 1 2HB MET 1 12.408 -2.683 -2.880 6 2HB MET 1 1HB MET 1 12.543 -3.764 -4.261 7 1HG MET 1 2HG MET 1 10.074 -2.319 -3.331 8 2HG MET 1 1HG MET 1 11.023 -1.982 -4.777 9 1HE MET 1 1HE MET 1 7.394 -3.881 -4.322 10 2HE MET 1 2HE MET 1 8.513 -3.650 -2.978 11 3HE MET 1 3HE MET 1 8.272 -5.259 -3.657 12 H ARG 2 H ARG 2 13.662 -5.983 -2.596 13 HA ARG 2 HA ARG 2 12.995 -7.682 -4.807 14 1HB ARG 2 2HB ARG 2 15.263 -8.124 -2.875 15 2HB ARG 2 1HB ARG 2 15.159 -8.611 -4.560 16 1HG ARG 2 2HG ARG 2 15.221 -6.231 -5.216 17 2HG ARG 2 1HG ARG 2 15.430 -5.799 -3.519 18 1HD ARG 2 2HD ARG 2 17.323 -7.247 -5.341 19 2HD ARG 2 1HD ARG 2 17.596 -5.790 -4.396 20 HE ARG 2 HE ARG 2 17.987 -7.083 -2.515 21 1HH1 ARG 2 1HH1 ARG 2 16.971 -9.131 -5.173 22 2HH1 ARG 2 2HH1 ARG 2 17.453 -10.590 -4.381 23 1HH2 ARG 2 1HH2 ARG 2 18.612 -9.008 -1.495 24 2HH2 ARG 2 2HH2 ARG 2 18.380 -10.523 -2.300 25 H LYS 3 H LYS 3 13.493 -8.231 -1.322 26 HA LYS 3 HA LYS 3 11.473 -10.288 -1.321 27 1HB LYS 3 2HB LYS 3 13.573 -11.451 -2.086 28 2HB LYS 3 1HB LYS 3 14.282 -11.061 -0.526 29 1HG LYS 3 2HG LYS 3 12.841 -12.485 0.624 30 2HG LYS 3 1HG LYS 3 11.699 -12.561 -0.719 31 1HD LYS 3 2HD LYS 3 14.438 -13.522 -1.269 32 2HD LYS 3 1HD LYS 3 13.470 -14.505 -0.170 33 1HE LYS 3 2HE LYS 3 12.734 -15.447 -2.081 34 2HE LYS 3 1HE LYS 3 11.665 -14.045 -2.118 35 1HZ LYS 3 1HZ LYS 3 13.496 -12.928 -3.433 36 2HZ LYS 3 2HZ LYS 3 12.635 -14.149 -4.228 37 3HZ LYS 3 3HZ LYS 3 14.181 -14.465 -3.616 38 H LEU 4 H LEU 4 10.328 -9.775 0.405 39 HA LEU 4 HA LEU 4 11.677 -9.390 2.967 40 1HB LEU 4 2HB LEU 4 9.467 -7.499 2.313 41 2HB LEU 4 1HB LEU 4 10.776 -7.325 3.463 42 HG LEU 4 HG LEU 4 11.233 -7.226 0.486 43 1HD1 LEU 4 1HD1 LEU 4 11.392 -4.690 1.009 44 2HD1 LEU 4 2HD1 LEU 4 10.338 -5.085 2.368 45 3HD1 LEU 4 3HD1 LEU 4 9.813 -5.422 0.718 46 1HD2 LEU 4 1HD2 LEU 4 12.918 -5.765 2.414 47 2HD2 LEU 4 2HD2 LEU 4 13.367 -6.674 0.970 48 3HD2 LEU 4 3HD2 LEU 4 13.020 -7.524 2.476 49 H SER 5 H SER 5 10.465 -10.023 4.731 50 HA SER 5 HA SER 5 8.463 -11.947 4.328 51 1HB SER 5 2HB SER 5 8.949 -10.395 6.878 52 2HB SER 5 1HB SER 5 8.231 -11.999 6.727 53 HG SER 5 HG SER 5 10.209 -12.805 6.092 54 H ASP 6 H ASP 6 6.219 -11.880 5.107 55 HA ASP 6 HA ASP 6 4.761 -9.804 3.934 56 1HB ASP 6 2HB ASP 6 3.540 -11.335 6.209 57 2HB ASP 6 1HB ASP 6 2.818 -10.814 4.698 58 H GLU 7 H GLU 7 6.202 -10.047 7.070 59 HA GLU 7 HA GLU 7 4.638 -7.982 8.284 60 1HB GLU 7 2HB GLU 7 6.802 -9.760 9.060 61 2HB GLU 7 1HB GLU 7 7.065 -8.132 9.669 62 1HG GLU 7 2HG GLU 7 5.231 -8.193 11.032 63 2HG GLU 7 1HG GLU 7 4.386 -9.369 10.026 64 H LEU 8 H LEU 8 7.659 -8.157 6.537 65 HA LEU 8 HA LEU 8 8.355 -5.406 7.009 66 1HB LEU 8 2HB LEU 8 9.488 -7.648 5.415 67 2HB LEU 8 1HB LEU 8 9.970 -6.009 5.019 68 HG LEU 8 HG LEU 8 11.507 -7.220 6.573 69 1HD1 LEU 8 1HD1 LEU 8 11.976 -5.320 7.895 70 2HD1 LEU 8 2HD1 LEU 8 10.301 -4.772 7.820 71 3HD1 LEU 8 3HD1 LEU 8 11.311 -4.725 6.374 72 1HD2 LEU 8 1HD2 LEU 8 9.237 -6.877 8.522 73 2HD2 LEU 8 2HD2 LEU 8 10.866 -7.428 8.917 74 3HD2 LEU 8 3HD2 LEU 8 9.828 -8.410 7.883 75 H LEU 9 H LEU 9 6.859 -7.282 4.446 76 HA LEU 9 HA LEU 9 6.770 -5.127 2.570 77 1HB LEU 9 2HB LEU 9 6.806 -7.418 1.792 78 2HB LEU 9 1HB LEU 9 5.330 -7.773 2.667 79 HG LEU 9 HG LEU 9 4.179 -6.073 1.175 80 1HD1 LEU 9 1HD1 LEU 9 5.235 -5.501 -0.912 81 2HD1 LEU 9 2HD1 LEU 9 6.677 -6.417 -0.475 82 3HD1 LEU 9 3HD1 LEU 9 6.254 -4.958 0.422 83 1HD2 LEU 9 1HD2 LEU 9 4.146 -7.679 -0.781 84 2HD2 LEU 9 2HD2 LEU 9 3.749 -8.365 0.795 85 3HD2 LEU 9 3HD2 LEU 9 5.347 -8.627 0.097 86 H ILE 10 H ILE 10 4.412 -6.633 4.742 87 HA ILE 10 HA ILE 10 2.283 -4.948 3.938 88 HB ILE 10 HB ILE 10 2.607 -6.597 6.439 89 1HG1 ILE 10 2HG1 ILE 10 0.892 -7.145 4.022 90 2HG1 ILE 10 1HG1 ILE 10 2.564 -7.689 4.124 91 1HG2 ILE 10 1HG2 ILE 10 0.893 -5.323 7.178 92 2HG2 ILE 10 2HG2 ILE 10 -0.063 -6.362 6.121 93 3HG2 ILE 10 3HG2 ILE 10 0.464 -4.776 5.558 94 1HD1 ILE 10 1HD1 ILE 10 0.572 -9.229 4.823 95 2HD1 ILE 10 2HD1 ILE 10 0.723 -8.356 6.344 96 3HD1 ILE 10 3HD1 ILE 10 2.099 -9.252 5.700 97 H GLU 11 H GLU 11 4.767 -4.727 6.393 98 HA GLU 11 HA GLU 11 3.680 -2.581 7.859 99 1HB GLU 11 2HB GLU 11 6.387 -3.757 7.508 100 2HB GLU 11 1HB GLU 11 6.293 -2.148 8.195 101 1HG GLU 11 2HG GLU 11 4.466 -4.114 9.383 102 2HG GLU 11 1HG GLU 11 6.183 -4.436 9.624 103 H SER 12 H SER 12 5.354 -2.765 4.812 104 HA SER 12 HA SER 12 6.008 0.017 4.652 105 1HB SER 12 2HB SER 12 5.637 -1.597 2.169 106 2HB SER 12 1HB SER 12 6.928 -0.474 2.598 107 HG SER 12 HG SER 12 6.649 -3.184 3.187 108 H TYR 13 H TYR 13 3.423 -2.035 3.355 109 HA TYR 13 HA TYR 13 2.054 0.041 1.995 110 1HB TYR 13 2HB TYR 13 1.710 -2.413 1.601 111 2HB TYR 13 1HB TYR 13 0.863 -2.493 3.141 112 HD1 TYR 13 1HD TYR 13 -1.434 -2.148 3.205 113 HD2 TYR 13 2HD TYR 13 0.775 -0.711 -0.135 114 HE1 TYR 13 1HE TYR 13 -3.535 -1.519 2.093 115 HE2 TYR 13 2HE TYR 13 -1.320 -0.078 -1.256 116 HH TYR 13 HH TYR 13 -3.817 -0.901 -1.093 117 H PHE 14 H PHE 14 1.895 -1.267 5.251 118 HA PHE 14 HA PHE 14 -0.383 0.252 6.050 119 1HB PHE 14 2HB PHE 14 1.716 -1.277 7.562 120 2HB PHE 14 1HB PHE 14 0.429 -0.416 8.382 121 HD1 PHE 14 1HD PHE 14 0.100 -2.790 9.329 122 HD2 PHE 14 2HD PHE 14 -0.694 -1.761 5.272 123 HE1 PHE 14 1HE PHE 14 -1.338 -4.774 9.106 124 HE2 PHE 14 2HE PHE 14 -2.133 -3.740 5.049 125 HZ PHE 14 HZ PHE 14 -2.456 -5.257 6.963 126 H LYS 15 H LYS 15 3.110 0.633 6.399 127 HA LYS 15 HA LYS 15 3.013 2.994 7.957 128 1HB LYS 15 2HB LYS 15 5.117 1.653 6.299 129 2HB LYS 15 1HB LYS 15 5.401 3.267 6.923 130 1HG LYS 15 2HG LYS 15 4.777 0.820 8.563 131 2HG LYS 15 1HG LYS 15 6.355 1.591 8.390 132 1HD LYS 15 2HD LYS 15 5.827 2.772 10.213 133 2HD LYS 15 1HD LYS 15 4.714 3.669 9.180 134 1HE LYS 15 2HE LYS 15 2.883 2.300 9.821 135 2HE LYS 15 1HE LYS 15 3.945 1.131 10.603 136 1HZ LYS 15 1HZ LYS 15 3.168 2.315 12.384 137 2HZ LYS 15 2HZ LYS 15 3.092 3.779 11.541 138 3HZ LYS 15 3HZ LYS 15 4.587 3.173 12.050 139 H ALA 16 H ALA 16 3.440 2.412 4.489 140 HA ALA 16 HA ALA 16 3.708 5.073 3.693 141 1HB ALA 16 1HB ALA 16 3.026 4.263 1.450 142 2HB ALA 16 2HB ALA 16 2.612 2.711 2.177 143 3HB ALA 16 3HB ALA 16 4.282 3.278 2.200 144 H THR 17 H THR 17 0.828 3.150 4.315 145 HA THR 17 HA THR 17 -0.992 5.029 3.187 146 HB THR 17 HB THR 17 -2.704 3.765 4.538 147 HG1 THR 17 1HG THR 17 -2.035 2.001 5.695 148 1HG2 THR 17 1HG2 THR 17 -2.701 2.722 2.558 149 2HG2 THR 17 2HG2 THR 17 -1.899 1.437 3.461 150 3HG2 THR 17 3HG2 THR 17 -0.944 2.577 2.514 151 H GLU 18 H GLU 18 0.497 4.611 6.321 152 HA GLU 18 HA GLU 18 -1.198 6.505 7.649 153 1HB GLU 18 2HB GLU 18 0.939 4.678 8.374 154 2HB GLU 18 1HB GLU 18 1.103 6.227 9.191 155 1HG GLU 18 2HG GLU 18 -0.581 5.791 10.566 156 2HG GLU 18 1HG GLU 18 -1.624 5.256 9.250 157 H MET 19 H MET 19 2.103 6.555 6.377 158 HA MET 19 HA MET 19 2.466 9.320 7.104 159 1HB MET 19 2HB MET 19 4.675 9.078 6.247 160 2HB MET 19 1HB MET 19 4.298 7.625 7.149 161 1HG MET 19 2HG MET 19 3.981 6.380 5.150 162 2HG MET 19 1HG MET 19 4.078 7.833 4.161 163 1HE MET 19 1HE MET 19 6.198 5.018 6.008 164 2HE MET 19 2HE MET 19 7.315 5.018 4.642 165 3HE MET 19 3HE MET 19 5.579 4.891 4.361 166 H ASN 20 H ASN 20 1.168 7.657 4.418 167 HA ASN 20 HA ASN 20 0.229 8.427 2.491 168 1HB ASN 20 2HB ASN 20 1.291 11.186 3.059 169 2HB ASN 20 1HB ASN 20 -0.095 10.735 2.074 170 1HD2 ASN 20 1HD2 ASN 20 0.961 11.730 5.106 171 2HD2 ASN 20 2HD2 ASN 20 -0.517 11.512 5.972 172 H LEU 21 H LEU 21 2.811 7.324 2.692 173 HA LEU 21 HA LEU 21 4.843 8.611 1.305 174 1HB LEU 21 2HB LEU 21 4.720 6.303 2.539 175 2HB LEU 21 1HB LEU 21 4.339 5.680 0.948 176 HG LEU 21 HG LEU 21 6.786 7.355 1.335 177 1HD1 LEU 21 1HD1 LEU 21 6.289 4.718 2.496 178 2HD1 LEU 21 2HD1 LEU 21 7.530 5.915 2.869 179 3HD1 LEU 21 3HD1 LEU 21 7.748 4.816 1.508 180 1HD2 LEU 21 1HD2 LEU 21 5.605 5.834 -0.784 181 2HD2 LEU 21 2HD2 LEU 21 7.172 5.137 -0.376 182 3HD2 LEU 21 3HD2 LEU 21 7.052 6.840 -0.813 183 H ASN 22 H ASN 22 5.611 8.220 -0.913 184 HA ASN 22 HA ASN 22 3.958 9.029 -2.899 185 1HB ASN 22 2HB ASN 22 6.501 8.625 -2.936 186 2HB ASN 22 1HB ASN 22 6.100 7.003 -3.492 187 1HD2 ASN 22 1HD2 ASN 22 7.188 7.455 -5.443 188 2HD2 ASN 22 2HD2 ASN 22 6.447 8.412 -6.676 189 H ARG 23 H ARG 23 2.429 8.228 -4.203 190 HA ARG 23 HA ARG 23 1.026 5.919 -3.596 191 1HB ARG 23 2HB ARG 23 0.397 7.988 -5.055 192 2HB ARG 23 1HB ARG 23 1.015 7.013 -6.382 193 1HG ARG 23 2HG ARG 23 -1.208 6.483 -6.444 194 2HG ARG 23 1HG ARG 23 -0.589 5.196 -5.409 195 1HD ARG 23 2HD ARG 23 -2.517 5.989 -4.323 196 2HD ARG 23 1HD ARG 23 -1.164 6.705 -3.448 197 HE ARG 23 HE ARG 23 -1.909 8.524 -5.400 198 1HH1 ARG 23 1HH1 ARG 23 -3.353 7.058 -2.570 199 2HH1 ARG 23 2HH1 ARG 23 -4.374 8.416 -2.241 200 1HH2 ARG 23 1HH2 ARG 23 -3.253 10.304 -4.959 201 2HH2 ARG 23 2HH2 ARG 23 -4.318 10.256 -3.593 202 H ASP 24 H ASP 24 3.854 6.278 -5.573 203 HA ASP 24 HA ASP 24 3.534 3.907 -7.086 204 1HB ASP 24 2HB ASP 24 5.843 5.715 -6.473 205 2HB ASP 24 1HB ASP 24 6.143 4.160 -7.245 206 H PHE 25 H PHE 25 4.962 4.593 -3.950 207 HA PHE 25 HA PHE 25 6.093 1.975 -3.645 208 1HB PHE 25 2HB PHE 25 6.741 4.217 -2.443 209 2HB PHE 25 1HB PHE 25 5.457 3.769 -1.323 210 HD1 PHE 25 1HD PHE 25 7.960 1.636 -3.069 211 HD2 PHE 25 2HD PHE 25 6.524 3.161 0.636 212 HE1 PHE 25 1HE PHE 25 9.522 0.169 -1.864 213 HE2 PHE 25 2HE PHE 25 8.086 1.696 1.848 214 HZ PHE 25 HZ PHE 25 9.589 0.198 0.596 215 H ILE 26 H ILE 26 3.183 3.653 -2.589 216 HA ILE 26 HA ILE 26 2.113 1.610 -0.979 217 HB ILE 26 HB ILE 26 0.742 3.801 -2.551 218 1HG1 ILE 26 2HG1 ILE 26 1.505 3.555 0.367 219 2HG1 ILE 26 1HG1 ILE 26 2.255 4.614 -0.822 220 1HG2 ILE 26 1HG2 ILE 26 -0.872 2.036 -2.131 221 2HG2 ILE 26 2HG2 ILE 26 -1.212 3.416 -1.086 222 3HG2 ILE 26 3HG2 ILE 26 -0.415 1.987 -0.428 223 1HD1 ILE 26 1HD1 ILE 26 0.061 5.773 -1.057 224 2HD1 ILE 26 2HD1 ILE 26 0.806 5.923 0.535 225 3HD1 ILE 26 3HD1 ILE 26 -0.531 4.800 0.289 226 H GLU 27 H GLU 27 1.744 2.358 -4.431 227 HA GLU 27 HA GLU 27 -0.026 0.174 -4.930 228 1HB GLU 27 2HB GLU 27 0.630 2.418 -6.316 229 2HB GLU 27 1HB GLU 27 1.579 1.220 -7.180 230 1HG GLU 27 2HG GLU 27 -0.428 -0.096 -7.586 231 2HG GLU 27 1HG GLU 27 -1.388 1.084 -6.696 232 H LEU 28 H LEU 28 3.426 0.667 -5.010 233 HA LEU 28 HA LEU 28 4.110 -1.708 -6.390 234 1HB LEU 28 2HB LEU 28 5.782 -0.082 -6.359 235 2HB LEU 28 1HB LEU 28 5.561 0.258 -4.656 236 HG LEU 28 HG LEU 28 6.674 -2.396 -5.473 237 1HD1 LEU 28 1HD1 LEU 28 8.949 -1.348 -5.292 238 2HD1 LEU 28 2HD1 LEU 28 8.158 0.222 -5.423 239 3HD1 LEU 28 3HD1 LEU 28 8.047 -0.935 -6.749 240 1HD2 LEU 28 1HD2 LEU 28 8.015 -1.749 -3.316 241 2HD2 LEU 28 2HD2 LEU 28 6.363 -2.352 -3.197 242 3HD2 LEU 28 3HD2 LEU 28 6.681 -0.621 -3.079 243 H ILE 29 H ILE 29 3.878 -0.898 -2.939 244 HA ILE 29 HA ILE 29 4.619 -3.490 -2.035 245 HB ILE 29 HB ILE 29 2.978 -1.436 -0.543 246 1HG1 ILE 29 2HG1 ILE 29 5.882 -1.691 -0.025 247 2HG1 ILE 29 1HG1 ILE 29 5.443 -0.944 -1.556 248 1HG2 ILE 29 1HG2 ILE 29 3.718 -2.536 1.444 249 2HG2 ILE 29 2HG2 ILE 29 4.795 -3.586 0.525 250 3HG2 ILE 29 3HG2 ILE 29 3.048 -3.758 0.365 251 1HD1 ILE 29 1HD1 ILE 29 3.804 0.309 0.273 252 2HD1 ILE 29 2HD1 ILE 29 5.288 0.955 -0.426 253 3HD1 ILE 29 3HD1 ILE 29 5.335 0.123 1.128 254 H GLU 30 H GLU 30 1.615 -1.957 -2.953 255 HA GLU 30 HA GLU 30 -0.071 -4.049 -1.938 256 1HB GLU 30 2HB GLU 30 -0.651 -1.551 -2.443 257 2HB GLU 30 1HB GLU 30 -0.917 -2.130 -4.080 258 1HG GLU 30 2HG GLU 30 -2.368 -3.935 -2.760 259 2HG GLU 30 1HG GLU 30 -2.483 -2.594 -1.620 260 H ASN 31 H ASN 31 1.517 -3.280 -4.955 261 HA ASN 31 HA ASN 31 0.102 -5.131 -6.575 262 1HB ASN 31 2HB ASN 31 2.627 -3.553 -6.845 263 2HB ASN 31 1HB ASN 31 2.333 -4.870 -7.975 264 1HD2 ASN 31 1HD2 ASN 31 2.099 -3.535 -9.735 265 2HD2 ASN 31 2HD2 ASN 31 0.734 -2.498 -9.950 266 H GLU 32 H GLU 32 2.871 -5.375 -4.469 267 HA GLU 32 HA GLU 32 3.640 -7.986 -5.429 268 1HB GLU 32 2HB GLU 32 5.330 -6.470 -4.487 269 2HB GLU 32 1HB GLU 32 4.480 -6.466 -2.948 270 1HG GLU 32 2HG GLU 32 6.395 -7.927 -2.844 271 2HG GLU 32 1HG GLU 32 4.908 -8.865 -2.712 272 H ILE 33 H ILE 33 2.017 -6.617 -2.614 273 HA ILE 33 HA ILE 33 1.515 -9.053 -1.273 274 HB ILE 33 HB ILE 33 0.055 -6.401 -1.177 275 1HG1 ILE 33 2HG1 ILE 33 1.933 -7.547 0.880 276 2HG1 ILE 33 1HG1 ILE 33 2.511 -6.574 -0.469 277 1HG2 ILE 33 1HG2 ILE 33 -1.496 -7.292 0.134 278 2HG2 ILE 33 2HG2 ILE 33 -0.260 -7.890 1.240 279 3HG2 ILE 33 3HG2 ILE 33 -0.789 -8.884 -0.116 280 1HD1 ILE 33 1HD1 ILE 33 0.485 -5.659 1.555 281 2HD1 ILE 33 2HD1 ILE 33 1.220 -4.691 0.277 282 3HD1 ILE 33 3HD1 ILE 33 2.208 -5.291 1.610 283 H LYS 34 H LYS 34 -0.158 -7.258 -3.790 284 HA LYS 34 HA LYS 34 -2.572 -8.732 -3.742 285 1HB LYS 34 2HB LYS 34 -1.228 -6.857 -5.623 286 2HB LYS 34 1HB LYS 34 -2.486 -7.890 -6.290 287 1HG LYS 34 2HG LYS 34 -3.977 -7.052 -4.424 288 2HG LYS 34 1HG LYS 34 -2.731 -5.842 -4.108 289 1HD LYS 34 2HD LYS 34 -2.923 -5.107 -6.474 290 2HD LYS 34 1HD LYS 34 -4.266 -6.235 -6.675 291 1HE LYS 34 2HE LYS 34 -4.954 -4.810 -4.411 292 2HE LYS 34 1HE LYS 34 -4.206 -3.596 -5.448 293 1HZ LYS 34 1HZ LYS 34 -6.510 -3.654 -5.944 294 2HZ LYS 34 2HZ LYS 34 -6.516 -5.338 -6.098 295 3HZ LYS 34 3HZ LYS 34 -5.715 -4.387 -7.246 296 H ARG 35 H ARG 35 0.383 -9.004 -5.690 297 HA ARG 35 HA ARG 35 -0.489 -11.301 -7.134 298 1HB ARG 35 2HB ARG 35 1.433 -9.544 -7.614 299 2HB ARG 35 1HB ARG 35 2.412 -10.716 -6.742 300 1HG ARG 35 2HG ARG 35 2.704 -11.595 -8.785 301 2HG ARG 35 1HG ARG 35 1.143 -12.351 -8.463 302 1HD ARG 35 2HD ARG 35 0.132 -11.176 -10.071 303 2HD ARG 35 1HD ARG 35 0.875 -9.665 -9.547 304 HE ARG 35 HE ARG 35 2.307 -9.882 -11.294 305 1HH1 ARG 35 1HH1 ARG 35 1.258 -13.098 -10.394 306 2HH1 ARG 35 2HH1 ARG 35 2.170 -13.874 -11.645 307 1HH2 ARG 35 1HH2 ARG 35 3.497 -10.911 -12.934 308 2HH2 ARG 35 2HH2 ARG 35 3.438 -12.635 -13.085 309 H ARG 36 H ARG 36 0.996 -10.787 -4.043 310 HA ARG 36 HA ARG 36 1.964 -13.479 -3.750 311 1HB ARG 36 2HB ARG 36 1.829 -11.052 -2.006 312 2HB ARG 36 1HB ARG 36 2.126 -12.617 -1.270 313 1HG ARG 36 2HG ARG 36 3.932 -12.700 -3.256 314 2HG ARG 36 1HG ARG 36 3.869 -10.961 -2.969 315 1HD ARG 36 2HD ARG 36 5.001 -11.148 -1.056 316 2HD ARG 36 1HD ARG 36 3.973 -12.463 -0.489 317 HE ARG 36 HE ARG 36 5.543 -13.969 -1.214 318 1HH1 ARG 36 1HH1 ARG 36 6.292 -10.827 -2.558 319 2HH1 ARG 36 2HH1 ARG 36 7.834 -11.324 -3.168 320 1HH2 ARG 36 1HH2 ARG 36 7.569 -14.612 -2.018 321 2HH2 ARG 36 2HH2 ARG 36 8.558 -13.469 -2.862 322 H SER 37 H SER 37 -1.125 -12.384 -3.839 323 HA SER 37 HA SER 37 -3.118 -13.189 -3.103 324 1HB SER 37 2HB SER 37 -1.992 -15.378 -3.733 325 2HB SER 37 1HB SER 37 -1.583 -15.562 -2.028 326 HG SER 37 HG SER 37 -3.790 -16.300 -3.161 327 H LEU 38 H LEU 38 -1.543 -11.475 -1.431 328 HA LEU 38 HA LEU 38 -2.530 -12.293 1.229 329 1HB LEU 38 2HB LEU 38 0.037 -12.176 0.723 330 2HB LEU 38 1HB LEU 38 -0.206 -10.451 0.904 331 HG LEU 38 HG LEU 38 -1.245 -10.975 3.168 332 1HD1 LEU 38 1HD1 LEU 38 -1.285 -13.511 2.382 333 2HD1 LEU 38 2HD1 LEU 38 -1.127 -13.053 4.077 334 3HD1 LEU 38 3HD1 LEU 38 0.304 -13.501 3.148 335 1HD2 LEU 38 1HD2 LEU 38 0.992 -10.013 2.873 336 2HD2 LEU 38 2HD2 LEU 38 1.664 -11.639 2.742 337 3HD2 LEU 38 3HD2 LEU 38 0.919 -11.112 4.251 338 H GLY 39 H GLY 39 -3.617 -10.526 -1.069 339 1HA GLY 39 2HA GLY 39 -3.606 -7.837 -0.245 340 2HA GLY 39 1HA GLY 39 -4.855 -8.601 -1.224 341 H HIS 40 H HIS 40 -5.438 -10.601 0.872 342 HA HIS 40 HA HIS 40 -7.536 -9.296 2.176 343 1HB HIS 40 2HB HIS 40 -7.535 -11.344 3.677 344 2HB HIS 40 1HB HIS 40 -7.658 -11.663 1.950 345 HD1 HIS 40 1HD HIS 40 -6.176 -13.472 1.169 346 HD2 HIS 40 2HD HIS 40 -4.648 -11.580 4.538 347 HE1 HIS 40 1HE HIS 40 -4.061 -14.710 1.735 348 HE2 HIS 40 2HE HIS 40 -3.197 -13.597 3.823 349 H ILE 41 H ILE 41 -4.182 -9.660 3.025 350 HA ILE 41 HA ILE 41 -4.449 -8.985 5.777 351 HB ILE 41 HB ILE 41 -2.494 -10.186 4.548 352 1HG1 ILE 41 2HG1 ILE 41 -0.918 -9.522 6.303 353 2HG1 ILE 41 1HG1 ILE 41 -1.929 -8.130 6.683 354 1HG2 ILE 41 1HG2 ILE 41 -2.184 -7.891 3.197 355 2HG2 ILE 41 2HG2 ILE 41 -0.881 -9.042 3.477 356 3HG2 ILE 41 3HG2 ILE 41 -1.045 -7.626 4.515 357 1HD1 ILE 41 1HD1 ILE 41 -2.123 -10.233 8.135 358 2HD1 ILE 41 2HD1 ILE 41 -3.027 -10.909 6.780 359 3HD1 ILE 41 3HD1 ILE 41 -3.608 -9.454 7.590 360 H ILE 42 H ILE 42 -4.117 -7.197 2.806 361 HA ILE 42 HA ILE 42 -3.653 -4.680 4.188 362 HB ILE 42 HB ILE 42 -3.087 -3.723 2.152 363 1HG1 ILE 42 2HG1 ILE 42 -3.756 -5.392 0.011 364 2HG1 ILE 42 1HG1 ILE 42 -5.192 -5.386 1.021 365 1HG2 ILE 42 1HG2 ILE 42 -1.540 -5.510 2.732 366 2HG2 ILE 42 2HG2 ILE 42 -1.620 -5.243 0.989 367 3HG2 ILE 42 3HG2 ILE 42 -2.454 -6.618 1.711 368 1HD1 ILE 42 1HD1 ILE 42 -3.800 -2.910 0.052 369 2HD1 ILE 42 2HD1 ILE 42 -5.347 -3.005 0.892 370 3HD1 ILE 42 3HD1 ILE 42 -5.187 -3.657 -0.739 371 H SER 43 H SER 43 -6.221 -6.456 2.701 372 HA SER 43 HA SER 43 -8.459 -6.148 2.685 373 1HB SER 43 2HB SER 43 -7.995 -4.965 4.954 374 2HB SER 43 1HB SER 43 -8.187 -3.470 4.039 375 HG SER 43 HG SER 43 -10.121 -4.481 5.095 376 H VAL 44 H VAL 44 -7.756 -5.906 0.404 377 HA VAL 44 HA VAL 44 -7.592 -3.318 -0.775 378 HB VAL 44 HB VAL 44 -8.427 -5.657 -2.436 379 1HG1 VAL 44 1HG1 VAL 44 -8.039 -3.451 -3.430 380 2HG1 VAL 44 2HG1 VAL 44 -6.909 -4.659 -4.041 381 3HG1 VAL 44 3HG1 VAL 44 -6.378 -3.483 -2.837 382 1HG2 VAL 44 1HG2 VAL 44 -6.081 -5.677 -0.717 383 2HG2 VAL 44 2HG2 VAL 44 -5.667 -5.863 -2.418 384 3HG2 VAL 44 3HG2 VAL 44 -6.801 -6.979 -1.658 385 H SER 45 H SER 45 -9.101 -2.309 -2.187 386 HA SER 45 HA SER 45 -11.833 -2.605 -1.287 387 1HB SER 45 2HB SER 45 -12.116 -0.680 -3.055 388 2HB SER 45 1HB SER 45 -11.308 -0.355 -1.522 389 HG SER 45 HG SER 45 -10.249 -0.542 -4.095 390 H SER 46 H SER 46 -12.510 -4.579 -2.115 391 HA SER 46 HA SER 46 -12.773 -4.693 -5.050 392 1HB SER 46 2HB SER 46 -12.488 -6.967 -3.074 393 2HB SER 46 1HB SER 46 -12.850 -7.176 -4.787 394 HG SER 46 HG SER 46 -10.531 -5.947 -3.702 Start of MODEL 23 1 1H MET 1 1HT MET 1 12.713 -5.063 -0.911 2 2H MET 1 2HT MET 1 13.258 -3.805 -1.944 3 3H MET 1 3HT MET 1 13.625 -5.440 -2.312 4 HA MET 1 HA MET 1 10.939 -4.236 -2.244 5 1HB MET 1 2HB MET 1 12.878 -3.869 -4.122 6 2HB MET 1 1HB MET 1 12.096 -5.317 -4.737 7 1HG MET 1 2HG MET 1 10.510 -2.899 -3.968 8 2HG MET 1 1HG MET 1 11.264 -3.043 -5.554 9 1HE MET 1 1HE MET 1 8.735 -3.669 -3.215 10 2HE MET 1 2HE MET 1 8.097 -5.292 -3.479 11 3HE MET 1 3HE MET 1 7.389 -3.916 -4.327 12 H ARG 2 H ARG 2 12.688 -6.949 -3.763 13 HA ARG 2 HA ARG 2 10.375 -8.655 -3.454 14 1HB ARG 2 2HB ARG 2 11.868 -10.350 -4.589 15 2HB ARG 2 1HB ARG 2 11.528 -8.893 -5.512 16 1HG ARG 2 2HG ARG 2 13.675 -8.252 -5.536 17 2HG ARG 2 1HG ARG 2 13.950 -8.753 -3.867 18 1HD ARG 2 2HD ARG 2 15.061 -10.516 -4.636 19 2HD ARG 2 1HD ARG 2 13.556 -11.119 -5.326 20 HE ARG 2 HE ARG 2 14.617 -9.258 -7.105 21 1HH1 ARG 2 1HH1 ARG 2 15.444 -12.403 -5.817 22 2HH1 ARG 2 2HH1 ARG 2 16.322 -12.884 -7.229 23 1HH2 ARG 2 1HH2 ARG 2 15.771 -9.896 -8.957 24 2HH2 ARG 2 2HH2 ARG 2 16.508 -11.463 -9.010 25 H LYS 3 H LYS 3 13.533 -8.274 -1.976 26 HA LYS 3 HA LYS 3 13.264 -10.727 -0.453 27 1HB LYS 3 2HB LYS 3 15.455 -10.137 0.483 28 2HB LYS 3 1HB LYS 3 15.469 -10.094 -1.275 29 1HG LYS 3 2HG LYS 3 14.822 -7.518 -0.082 30 2HG LYS 3 1HG LYS 3 16.403 -8.131 0.405 31 1HD LYS 3 2HD LYS 3 16.988 -8.450 -1.964 32 2HD LYS 3 1HD LYS 3 15.418 -7.792 -2.429 33 1HE LYS 3 2HE LYS 3 16.559 -5.854 -2.557 34 2HE LYS 3 1HE LYS 3 16.303 -5.824 -0.813 35 1HZ LYS 3 1HZ LYS 3 18.547 -5.480 -0.953 36 2HZ LYS 3 2HZ LYS 3 18.742 -6.455 -2.322 37 3HZ LYS 3 3HZ LYS 3 18.516 -7.166 -0.804 38 H LEU 4 H LEU 4 11.193 -9.869 0.495 39 HA LEU 4 HA LEU 4 11.790 -8.737 3.106 40 1HB LEU 4 2HB LEU 4 9.467 -7.551 1.654 41 2HB LEU 4 1HB LEU 4 10.369 -6.912 3.012 42 HG LEU 4 HG LEU 4 11.592 -7.117 0.272 43 1HD1 LEU 4 1HD1 LEU 4 10.362 -4.597 1.305 44 2HD1 LEU 4 2HD1 LEU 4 9.386 -5.769 0.419 45 3HD1 LEU 4 3HD1 LEU 4 10.797 -5.038 -0.346 46 1HD2 LEU 4 1HD2 LEU 4 12.747 -6.608 2.649 47 2HD2 LEU 4 2HD2 LEU 4 12.272 -4.976 2.180 48 3HD2 LEU 4 3HD2 LEU 4 13.312 -5.930 1.122 49 H SER 5 H SER 5 10.342 -9.331 4.696 50 HA SER 5 HA SER 5 8.687 -11.616 4.095 51 1HB SER 5 2HB SER 5 9.392 -10.165 6.643 52 2HB SER 5 1HB SER 5 8.211 -11.474 6.608 53 HG SER 5 HG SER 5 10.574 -11.945 7.032 54 H ASP 6 H ASP 6 6.428 -11.746 4.911 55 HA ASP 6 HA ASP 6 4.839 -9.727 3.776 56 1HB ASP 6 2HB ASP 6 3.598 -11.342 5.956 57 2HB ASP 6 1HB ASP 6 2.985 -10.942 4.363 58 H GLU 7 H GLU 7 6.235 -10.049 6.932 59 HA GLU 7 HA GLU 7 4.546 -8.103 8.188 60 1HB GLU 7 2HB GLU 7 6.720 -9.857 8.970 61 2HB GLU 7 1HB GLU 7 6.933 -8.251 9.651 62 1HG GLU 7 2HG GLU 7 5.735 -9.571 11.222 63 2HG GLU 7 1HG GLU 7 4.618 -8.388 10.542 64 H LEU 8 H LEU 8 7.642 -8.094 6.558 65 HA LEU 8 HA LEU 8 8.176 -5.325 7.172 66 1HB LEU 8 2HB LEU 8 9.543 -7.461 5.610 67 2HB LEU 8 1HB LEU 8 9.967 -5.786 5.303 68 HG LEU 8 HG LEU 8 11.473 -6.866 6.918 69 1HD1 LEU 8 1HD1 LEU 8 9.813 -4.721 8.215 70 2HD1 LEU 8 2HD1 LEU 8 11.013 -4.423 6.957 71 3HD1 LEU 8 3HD1 LEU 8 11.513 -5.088 8.512 72 1HD2 LEU 8 1HD2 LEU 8 9.970 -8.417 7.970 73 2HD2 LEU 8 2HD2 LEU 8 8.979 -7.095 8.588 74 3HD2 LEU 8 3HD2 LEU 8 10.618 -7.330 9.197 75 H LEU 9 H LEU 9 6.865 -7.207 4.535 76 HA LEU 9 HA LEU 9 6.832 -5.061 2.643 77 1HB LEU 9 2HB LEU 9 6.919 -7.334 1.846 78 2HB LEU 9 1HB LEU 9 5.448 -7.739 2.706 79 HG LEU 9 HG LEU 9 4.370 -5.914 1.169 80 1HD1 LEU 9 1HD1 LEU 9 6.741 -6.743 -0.494 81 2HD1 LEU 9 2HD1 LEU 9 6.530 -5.155 0.245 82 3HD1 LEU 9 3HD1 LEU 9 5.405 -5.706 -0.996 83 1HD2 LEU 9 1HD2 LEU 9 4.032 -7.684 -0.589 84 2HD2 LEU 9 2HD2 LEU 9 3.658 -8.173 1.063 85 3HD2 LEU 9 3HD2 LEU 9 5.169 -8.686 0.314 86 H ILE 10 H ILE 10 4.423 -6.597 4.730 87 HA ILE 10 HA ILE 10 2.304 -4.917 3.874 88 HB ILE 10 HB ILE 10 2.562 -6.624 6.345 89 1HG1 ILE 10 2HG1 ILE 10 0.849 -7.145 3.935 90 2HG1 ILE 10 1HG1 ILE 10 2.552 -7.594 3.939 91 1HG2 ILE 10 1HG2 ILE 10 0.174 -6.392 6.638 92 2HG2 ILE 10 2HG2 ILE 10 0.065 -5.362 5.210 93 3HG2 ILE 10 3HG2 ILE 10 0.915 -4.791 6.645 94 1HD1 ILE 10 1HD1 ILE 10 1.092 -8.476 6.296 95 2HD1 ILE 10 2HD1 ILE 10 2.194 -9.356 5.239 96 3HD1 ILE 10 3HD1 ILE 10 0.507 -9.155 4.782 97 H GLU 11 H GLU 11 4.709 -4.742 6.404 98 HA GLU 11 HA GLU 11 3.572 -2.630 7.883 99 1HB GLU 11 2HB GLU 11 6.281 -3.814 7.608 100 2HB GLU 11 1HB GLU 11 6.178 -2.210 8.309 101 1HG GLU 11 2HG GLU 11 4.611 -4.571 9.315 102 2HG GLU 11 1HG GLU 11 6.186 -4.095 9.950 103 H SER 12 H SER 12 5.337 -2.748 4.884 104 HA SER 12 HA SER 12 5.991 0.040 4.812 105 1HB SER 12 2HB SER 12 5.735 -1.764 2.402 106 2HB SER 12 1HB SER 12 6.776 -0.355 2.604 107 HG SER 12 HG SER 12 7.743 -2.550 2.827 108 H TYR 13 H TYR 13 3.480 -1.999 3.358 109 HA TYR 13 HA TYR 13 2.126 0.071 1.995 110 1HB TYR 13 2HB TYR 13 1.801 -2.373 1.577 111 2HB TYR 13 1HB TYR 13 0.949 -2.486 3.111 112 HD1 TYR 13 1HD TYR 13 -1.353 -2.369 3.071 113 HD2 TYR 13 2HD TYR 13 0.842 -0.488 -0.050 114 HE1 TYR 13 1HE TYR 13 -3.461 -1.777 1.953 115 HE2 TYR 13 2HE TYR 13 -1.260 0.110 -1.176 116 HH TYR 13 HH TYR 13 -4.240 -1.233 -0.341 117 H PHE 14 H PHE 14 1.890 -1.253 5.239 118 HA PHE 14 HA PHE 14 -0.409 0.261 5.995 119 1HB PHE 14 2HB PHE 14 1.654 -1.282 7.545 120 2HB PHE 14 1HB PHE 14 0.345 -0.430 8.339 121 HD1 PHE 14 1HD PHE 14 -0.564 -1.857 5.153 122 HD2 PHE 14 2HD PHE 14 -0.134 -2.711 9.304 123 HE1 PHE 14 1HE PHE 14 -1.989 -3.842 4.890 124 HE2 PHE 14 2HE PHE 14 -1.561 -4.697 9.043 125 HZ PHE 14 HZ PHE 14 -2.489 -5.269 6.833 126 H LYS 15 H LYS 15 3.071 0.579 6.556 127 HA LYS 15 HA LYS 15 2.945 2.941 8.092 128 1HB LYS 15 2HB LYS 15 5.116 1.625 6.480 129 2HB LYS 15 1HB LYS 15 5.382 3.177 7.254 130 1HG LYS 15 2HG LYS 15 4.482 0.716 8.730 131 2HG LYS 15 1HG LYS 15 6.171 1.195 8.552 132 1HD LYS 15 2HD LYS 15 5.985 2.603 10.265 133 2HD LYS 15 1HD LYS 15 4.658 3.448 9.466 134 1HE LYS 15 2HE LYS 15 3.056 1.913 10.408 135 2HE LYS 15 1HE LYS 15 4.348 0.929 11.095 136 1HZ LYS 15 1HZ LYS 15 4.942 3.223 12.215 137 2HZ LYS 15 2HZ LYS 15 3.810 2.170 12.899 138 3HZ LYS 15 3HZ LYS 15 3.288 3.500 11.994 139 H ALA 16 H ALA 16 3.393 2.346 4.638 140 HA ALA 16 HA ALA 16 3.817 5.011 3.872 141 1HB ALA 16 1HB ALA 16 3.046 4.172 1.596 142 2HB ALA 16 2HB ALA 16 2.844 2.602 2.371 143 3HB ALA 16 3HB ALA 16 4.435 3.361 2.319 144 H THR 17 H THR 17 0.851 3.151 4.303 145 HA THR 17 HA THR 17 -0.864 5.083 3.129 146 HB THR 17 HB THR 17 -2.666 3.880 4.400 147 HG1 THR 17 1HG THR 17 -2.140 2.572 5.940 148 1HG2 THR 17 1HG2 THR 17 -2.667 2.704 2.522 149 2HG2 THR 17 2HG2 THR 17 -1.725 1.503 3.405 150 3HG2 THR 17 3HG2 THR 17 -0.907 2.712 2.415 151 H GLU 18 H GLU 18 0.485 4.643 6.323 152 HA GLU 18 HA GLU 18 -1.209 6.552 7.606 153 1HB GLU 18 2HB GLU 18 1.011 4.803 8.356 154 2HB GLU 18 1HB GLU 18 1.029 6.344 9.203 155 1HG GLU 18 2HG GLU 18 -1.539 4.866 9.064 156 2HG GLU 18 1HG GLU 18 -0.277 4.244 10.126 157 H MET 19 H MET 19 2.126 6.625 6.419 158 HA MET 19 HA MET 19 2.439 9.407 7.091 159 1HB MET 19 2HB MET 19 4.662 9.173 6.235 160 2HB MET 19 1HB MET 19 4.294 7.760 7.205 161 1HG MET 19 2HG MET 19 3.952 6.436 5.237 162 2HG MET 19 1HG MET 19 4.133 7.851 4.205 163 1HE MET 19 1HE MET 19 5.790 4.977 6.039 164 2HE MET 19 2HE MET 19 7.303 4.968 5.134 165 3HE MET 19 3HE MET 19 5.764 4.882 4.279 166 H ASN 20 H ASN 20 1.167 7.703 4.431 167 HA ASN 20 HA ASN 20 0.254 8.430 2.477 168 1HB ASN 20 2HB ASN 20 1.322 11.195 3.007 169 2HB ASN 20 1HB ASN 20 -0.041 10.734 1.996 170 1HD2 ASN 20 1HD2 ASN 20 -2.020 10.495 2.889 171 2HD2 ASN 20 2HD2 ASN 20 -2.372 10.795 4.554 172 H LEU 21 H LEU 21 2.767 7.265 2.664 173 HA LEU 21 HA LEU 21 4.856 8.506 1.309 174 1HB LEU 21 2HB LEU 21 4.653 6.197 2.538 175 2HB LEU 21 1HB LEU 21 4.281 5.590 0.938 176 HG LEU 21 HG LEU 21 6.773 7.185 1.419 177 1HD1 LEU 21 1HD1 LEU 21 6.163 4.474 2.371 178 2HD1 LEU 21 2HD1 LEU 21 7.375 5.629 2.920 179 3HD1 LEU 21 3HD1 LEU 21 7.680 4.646 1.489 180 1HD2 LEU 21 1HD2 LEU 21 7.123 5.053 -0.399 181 2HD2 LEU 21 2HD2 LEU 21 7.054 6.779 -0.751 182 3HD2 LEU 21 3HD2 LEU 21 5.581 5.811 -0.797 183 H ASN 22 H ASN 22 5.621 8.165 -0.898 184 HA ASN 22 HA ASN 22 3.979 8.981 -2.892 185 1HB ASN 22 2HB ASN 22 6.491 8.690 -2.977 186 2HB ASN 22 1HB ASN 22 6.203 7.001 -3.383 187 1HD2 ASN 22 1HD2 ASN 22 6.857 9.933 -4.649 188 2HD2 ASN 22 2HD2 ASN 22 6.227 9.719 -6.243 189 H ARG 23 H ARG 23 2.469 8.180 -4.217 190 HA ARG 23 HA ARG 23 1.076 5.858 -3.648 191 1HB ARG 23 2HB ARG 23 0.307 7.851 -5.010 192 2HB ARG 23 1HB ARG 23 1.164 7.142 -6.372 193 1HG ARG 23 2HG ARG 23 -0.762 6.124 -6.831 194 2HG ARG 23 1HG ARG 23 -0.357 5.046 -5.496 195 1HD ARG 23 2HD ARG 23 -1.858 6.009 -4.079 196 2HD ARG 23 1HD ARG 23 -1.712 7.598 -4.829 197 HE ARG 23 HE ARG 23 -2.938 6.106 -6.733 198 1HH1 ARG 23 1HH1 ARG 23 -3.634 6.744 -3.363 199 2HH1 ARG 23 2HH1 ARG 23 -5.346 6.576 -3.562 200 1HH2 ARG 23 1HH2 ARG 23 -5.187 5.887 -6.983 201 2HH2 ARG 23 2HH2 ARG 23 -6.226 6.090 -5.612 202 H ASP 24 H ASP 24 3.882 6.278 -5.662 203 HA ASP 24 HA ASP 24 3.614 3.901 -7.159 204 1HB ASP 24 2HB ASP 24 5.306 6.012 -7.283 205 2HB ASP 24 1HB ASP 24 6.360 4.816 -6.536 206 H PHE 25 H PHE 25 5.082 4.597 -4.035 207 HA PHE 25 HA PHE 25 6.205 1.976 -3.731 208 1HB PHE 25 2HB PHE 25 6.861 4.226 -2.543 209 2HB PHE 25 1HB PHE 25 5.595 3.773 -1.407 210 HD1 PHE 25 1HD PHE 25 8.120 1.700 -3.190 211 HD2 PHE 25 2HD PHE 25 6.644 3.119 0.540 212 HE1 PHE 25 1HE PHE 25 9.710 0.239 -2.011 213 HE2 PHE 25 2HE PHE 25 8.233 1.661 1.728 214 HZ PHE 25 HZ PHE 25 9.768 0.218 0.451 215 H ILE 26 H ILE 26 3.302 3.663 -2.691 216 HA ILE 26 HA ILE 26 2.239 1.638 -1.046 217 HB ILE 26 HB ILE 26 0.857 3.815 -2.627 218 1HG1 ILE 26 2HG1 ILE 26 1.657 3.614 0.283 219 2HG1 ILE 26 1HG1 ILE 26 2.397 4.650 -0.931 220 1HG2 ILE 26 1HG2 ILE 26 -1.056 3.449 -1.061 221 2HG2 ILE 26 2HG2 ILE 26 -0.257 1.979 -0.504 222 3HG2 ILE 26 3HG2 ILE 26 -0.783 2.114 -2.182 223 1HD1 ILE 26 1HD1 ILE 26 0.202 5.810 -1.162 224 2HD1 ILE 26 2HD1 ILE 26 0.967 5.987 0.417 225 3HD1 ILE 26 3HD1 ILE 26 -0.377 4.862 0.208 226 H GLU 27 H GLU 27 1.802 2.384 -4.494 227 HA GLU 27 HA GLU 27 0.036 0.201 -4.966 228 1HB GLU 27 2HB GLU 27 0.698 2.427 -6.377 229 2HB GLU 27 1HB GLU 27 1.636 1.215 -7.234 230 1HG GLU 27 2HG GLU 27 -0.224 0.094 -7.975 231 2HG GLU 27 1HG GLU 27 -1.236 0.685 -6.658 232 H LEU 28 H LEU 28 3.489 0.656 -5.051 233 HA LEU 28 HA LEU 28 4.143 -1.733 -6.424 234 1HB LEU 28 2HB LEU 28 5.834 -0.129 -6.414 235 2HB LEU 28 1HB LEU 28 5.618 0.236 -4.717 236 HG LEU 28 HG LEU 28 6.704 -2.441 -5.495 237 1HD1 LEU 28 1HD1 LEU 28 8.002 -0.824 -6.799 238 2HD1 LEU 28 2HD1 LEU 28 8.963 -1.537 -5.504 239 3HD1 LEU 28 3HD1 LEU 28 8.324 0.097 -5.330 240 1HD2 LEU 28 1HD2 LEU 28 6.379 -2.333 -3.214 241 2HD2 LEU 28 2HD2 LEU 28 6.769 -0.615 -3.133 242 3HD2 LEU 28 3HD2 LEU 28 8.054 -1.801 -3.358 243 H ILE 29 H ILE 29 3.953 -0.893 -2.979 244 HA ILE 29 HA ILE 29 4.654 -3.495 -2.066 245 HB ILE 29 HB ILE 29 3.079 -1.398 -0.564 246 1HG1 ILE 29 2HG1 ILE 29 5.986 -1.717 -0.096 247 2HG1 ILE 29 1HG1 ILE 29 5.533 -0.955 -1.616 248 1HG2 ILE 29 1HG2 ILE 29 3.021 -3.602 0.457 249 2HG2 ILE 29 2HG2 ILE 29 4.004 -2.500 1.421 250 3HG2 ILE 29 3HG2 ILE 29 4.780 -3.698 0.386 251 1HD1 ILE 29 1HD1 ILE 29 5.541 0.121 1.052 252 2HD1 ILE 29 2HD1 ILE 29 3.959 0.301 0.295 253 3HD1 ILE 29 3HD1 ILE 29 5.395 0.949 -0.498 254 H GLU 30 H GLU 30 1.675 -1.901 -2.962 255 HA GLU 30 HA GLU 30 -0.045 -3.944 -1.907 256 1HB GLU 30 2HB GLU 30 -0.590 -1.450 -2.416 257 2HB GLU 30 1HB GLU 30 -0.844 -2.011 -4.062 258 1HG GLU 30 2HG GLU 30 -2.376 -3.782 -2.860 259 2HG GLU 30 1HG GLU 30 -2.421 -2.546 -1.605 260 H ASN 31 H ASN 31 1.531 -3.242 -4.947 261 HA ASN 31 HA ASN 31 0.081 -5.098 -6.532 262 1HB ASN 31 2HB ASN 31 2.625 -3.557 -6.838 263 2HB ASN 31 1HB ASN 31 2.306 -4.883 -7.949 264 1HD2 ASN 31 1HD2 ASN 31 2.234 -3.332 -9.635 265 2HD2 ASN 31 2HD2 ASN 31 0.821 -2.371 -9.889 266 H GLU 32 H GLU 32 2.821 -5.361 -4.398 267 HA GLU 32 HA GLU 32 3.586 -7.979 -5.344 268 1HB GLU 32 2HB GLU 32 5.151 -6.266 -4.267 269 2HB GLU 32 1HB GLU 32 4.402 -6.698 -2.735 270 1HG GLU 32 2HG GLU 32 6.272 -8.033 -2.757 271 2HG GLU 32 1HG GLU 32 5.036 -9.120 -3.389 272 H ILE 33 H ILE 33 1.921 -6.589 -2.568 273 HA ILE 33 HA ILE 33 1.401 -9.014 -1.216 274 HB ILE 33 HB ILE 33 -0.099 -6.385 -1.154 275 1HG1 ILE 33 2HG1 ILE 33 1.817 -7.391 0.931 276 2HG1 ILE 33 1HG1 ILE 33 2.400 -6.530 -0.489 277 1HG2 ILE 33 1HG2 ILE 33 -0.214 -8.027 1.256 278 2HG2 ILE 33 2HG2 ILE 33 -0.996 -8.782 -0.130 279 3HG2 ILE 33 3HG2 ILE 33 -1.500 -7.180 0.399 280 1HD1 ILE 33 1HD1 ILE 33 0.395 -5.458 1.482 281 2HD1 ILE 33 2HD1 ILE 33 1.088 -4.593 0.111 282 3HD1 ILE 33 3HD1 ILE 33 2.116 -5.072 1.462 283 H LYS 34 H LYS 34 -0.210 -7.270 -3.802 284 HA LYS 34 HA LYS 34 -2.631 -8.761 -3.751 285 1HB LYS 34 2HB LYS 34 -1.346 -6.778 -5.524 286 2HB LYS 34 1HB LYS 34 -2.456 -7.881 -6.324 287 1HG LYS 34 2HG LYS 34 -4.203 -7.248 -4.699 288 2HG LYS 34 1HG LYS 34 -3.083 -6.081 -3.995 289 1HD LYS 34 2HD LYS 34 -2.976 -5.439 -6.650 290 2HD LYS 34 1HD LYS 34 -4.660 -5.932 -6.460 291 1HE LYS 34 2HE LYS 34 -4.419 -4.390 -4.289 292 2HE LYS 34 1HE LYS 34 -3.211 -3.618 -5.315 293 1HZ LYS 34 1HZ LYS 34 -5.476 -2.665 -5.507 294 2HZ LYS 34 2HZ LYS 34 -6.008 -4.131 -6.161 295 3HZ LYS 34 3HZ LYS 34 -4.846 -3.215 -6.979 296 H ARG 35 H ARG 35 0.333 -8.970 -5.701 297 HA ARG 35 HA ARG 35 -0.507 -11.275 -7.156 298 1HB ARG 35 2HB ARG 35 1.266 -9.593 -7.857 299 2HB ARG 35 1HB ARG 35 2.338 -10.379 -6.706 300 1HG ARG 35 2HG ARG 35 2.925 -11.754 -8.341 301 2HG ARG 35 1HG ARG 35 1.320 -12.472 -8.208 302 1HD ARG 35 2HD ARG 35 1.450 -10.009 -9.804 303 2HD ARG 35 1HD ARG 35 2.342 -11.373 -10.473 304 HE ARG 35 HE ARG 35 -0.234 -12.208 -9.688 305 1HH1 ARG 35 1HH1 ARG 35 1.358 -10.309 -12.159 306 2HH1 ARG 35 2HH1 ARG 35 0.133 -10.606 -13.345 307 1HH2 ARG 35 1HH2 ARG 35 -1.838 -12.593 -11.252 308 2HH2 ARG 35 2HH2 ARG 35 -1.679 -11.900 -12.831 309 H ARG 36 H ARG 36 0.969 -10.750 -4.065 310 HA ARG 36 HA ARG 36 1.986 -13.427 -3.784 311 1HB ARG 36 2HB ARG 36 1.838 -10.994 -2.060 312 2HB ARG 36 1HB ARG 36 2.113 -12.550 -1.293 313 1HG ARG 36 2HG ARG 36 4.046 -12.869 -2.864 314 2HG ARG 36 1HG ARG 36 3.824 -11.188 -3.353 315 1HD ARG 36 2HD ARG 36 4.406 -10.373 -1.247 316 2HD ARG 36 1HD ARG 36 4.125 -11.927 -0.465 317 HE ARG 36 HE ARG 36 6.235 -12.063 -2.378 318 1HH1 ARG 36 1HH1 ARG 36 5.491 -11.063 0.892 319 2HH1 ARG 36 2HH1 ARG 36 7.119 -11.255 1.447 320 1HH2 ARG 36 1HH2 ARG 36 8.370 -12.311 -1.639 321 2HH2 ARG 36 2HH2 ARG 36 8.751 -11.961 0.015 322 H SER 37 H SER 37 -1.124 -12.401 -3.877 323 HA SER 37 HA SER 37 -3.099 -13.247 -3.141 324 1HB SER 37 2HB SER 37 -1.766 -15.417 -3.694 325 2HB SER 37 1HB SER 37 -1.647 -15.593 -1.944 326 HG SER 37 HG SER 37 -3.892 -15.621 -1.832 327 H LEU 38 H LEU 38 -1.572 -11.490 -1.478 328 HA LEU 38 HA LEU 38 -2.516 -12.320 1.194 329 1HB LEU 38 2HB LEU 38 0.038 -12.085 0.651 330 2HB LEU 38 1HB LEU 38 -0.284 -10.370 0.813 331 HG LEU 38 HG LEU 38 -1.242 -10.900 3.103 332 1HD1 LEU 38 1HD1 LEU 38 -1.305 -13.422 2.431 333 2HD1 LEU 38 2HD1 LEU 38 -0.932 -12.951 4.089 334 3HD1 LEU 38 3HD1 LEU 38 0.369 -13.405 2.987 335 1HD2 LEU 38 1HD2 LEU 38 0.925 -9.850 2.802 336 2HD2 LEU 38 2HD2 LEU 38 1.676 -11.427 2.564 337 3HD2 LEU 38 3HD2 LEU 38 0.984 -11.007 4.131 338 H GLY 39 H GLY 39 -3.816 -10.728 -1.031 339 1HA GLY 39 2HA GLY 39 -3.886 -7.993 -0.314 340 2HA GLY 39 1HA GLY 39 -5.106 -8.844 -1.254 341 H HIS 40 H HIS 40 -5.394 -10.780 1.093 342 HA HIS 40 HA HIS 40 -7.589 -9.472 2.317 343 1HB HIS 40 2HB HIS 40 -7.645 -11.476 3.798 344 2HB HIS 40 1HB HIS 40 -7.591 -11.882 2.087 345 HD1 HIS 40 1HD HIS 40 -5.626 -13.251 1.275 346 HD2 HIS 40 2HD HIS 40 -5.206 -11.983 5.209 347 HE1 HIS 40 1HE HIS 40 -3.627 -14.488 2.170 348 HE2 HIS 40 2HE HIS 40 -3.442 -13.766 4.577 349 H ILE 41 H ILE 41 -4.221 -9.850 3.135 350 HA ILE 41 HA ILE 41 -4.387 -9.148 5.865 351 HB ILE 41 HB ILE 41 -2.436 -10.223 4.527 352 1HG1 ILE 41 2HG1 ILE 41 -0.811 -9.481 6.207 353 2HG1 ILE 41 1HG1 ILE 41 -1.876 -8.150 6.650 354 1HG2 ILE 41 1HG2 ILE 41 -1.172 -7.556 4.427 355 2HG2 ILE 41 2HG2 ILE 41 -2.322 -7.941 3.150 356 3HG2 ILE 41 3HG2 ILE 41 -0.919 -8.973 3.410 357 1HD1 ILE 41 1HD1 ILE 41 -2.802 -10.989 6.779 358 2HD1 ILE 41 2HD1 ILE 41 -3.434 -9.575 7.622 359 3HD1 ILE 41 3HD1 ILE 41 -1.878 -10.262 8.093 360 H ILE 42 H ILE 42 -4.204 -7.316 2.908 361 HA ILE 42 HA ILE 42 -3.922 -4.769 4.304 362 HB ILE 42 HB ILE 42 -3.739 -3.785 2.081 363 1HG1 ILE 42 2HG1 ILE 42 -4.088 -6.557 0.968 364 2HG1 ILE 42 1HG1 ILE 42 -5.357 -5.339 0.967 365 1HG2 ILE 42 1HG2 ILE 42 -2.092 -6.275 2.076 366 2HG2 ILE 42 2HG2 ILE 42 -1.803 -4.940 3.193 367 3HG2 ILE 42 3HG2 ILE 42 -1.673 -4.681 1.452 368 1HD1 ILE 42 1HD1 ILE 42 -2.846 -4.415 -0.186 369 2HD1 ILE 42 2HD1 ILE 42 -4.495 -4.292 -0.801 370 3HD1 ILE 42 3HD1 ILE 42 -3.571 -5.774 -1.044 371 H SER 43 H SER 43 -6.251 -6.692 2.585 372 HA SER 43 HA SER 43 -8.492 -6.571 2.421 373 1HB SER 43 2HB SER 43 -8.337 -5.507 4.778 374 2HB SER 43 1HB SER 43 -8.539 -3.968 3.943 375 HG SER 43 HG SER 43 -10.585 -4.442 4.163 376 H VAL 44 H VAL 44 -7.720 -6.173 0.223 377 HA VAL 44 HA VAL 44 -7.583 -3.528 -0.816 378 HB VAL 44 HB VAL 44 -8.241 -5.777 -2.660 379 1HG1 VAL 44 1HG1 VAL 44 -6.377 -4.638 -3.942 380 2HG1 VAL 44 2HG1 VAL 44 -6.421 -3.392 -2.696 381 3HG1 VAL 44 3HG1 VAL 44 -7.849 -3.700 -3.684 382 1HG2 VAL 44 1HG2 VAL 44 -6.027 -5.902 -0.782 383 2HG2 VAL 44 2HG2 VAL 44 -5.483 -5.951 -2.454 384 3HG2 VAL 44 3HG2 VAL 44 -6.652 -7.135 -1.870 385 H SER 45 H SER 45 -9.079 -2.328 -1.927 386 HA SER 45 HA SER 45 -11.862 -3.182 -1.597 387 1HB SER 45 2HB SER 45 -10.472 -0.562 -1.715 388 2HB SER 45 1HB SER 45 -12.087 -0.624 -2.422 389 HG SER 45 HG SER 45 -11.817 -0.151 -0.049 390 H SER 46 H SER 46 -12.106 -4.566 -3.347 391 HA SER 46 HA SER 46 -12.263 -3.216 -5.946 392 1HB SER 46 2HB SER 46 -10.963 -5.904 -5.449 393 2HB SER 46 1HB SER 46 -11.352 -5.265 -7.046 394 HG SER 46 HG SER 46 -9.370 -4.491 -5.246 Start of MODEL 24 1 1H MET 1 1HT MET 1 8.798 -4.859 -4.451 2 2H MET 1 2HT MET 1 10.438 -4.893 -4.955 3 3H MET 1 3HT MET 1 9.749 -3.435 -4.368 4 HA MET 1 HA MET 1 11.225 -4.637 -2.818 5 1HB MET 1 2HB MET 1 8.444 -3.693 -2.364 6 2HB MET 1 1HB MET 1 9.239 -4.499 -1.020 7 1HG MET 1 2HG MET 1 11.155 -2.738 -1.901 8 2HG MET 1 1HG MET 1 9.656 -1.839 -2.123 9 1HE MET 1 1HE MET 1 8.149 -1.831 1.477 10 2HE MET 1 2HE MET 1 7.886 -3.155 0.342 11 3HE MET 1 3HE MET 1 7.885 -1.487 -0.232 12 H ARG 2 H ARG 2 11.301 -6.846 -3.952 13 HA ARG 2 HA ARG 2 9.434 -8.819 -2.963 14 1HB ARG 2 2HB ARG 2 11.997 -9.289 -4.486 15 2HB ARG 2 1HB ARG 2 10.645 -10.400 -4.311 16 1HG ARG 2 2HG ARG 2 9.405 -9.363 -5.895 17 2HG ARG 2 1HG ARG 2 10.061 -7.767 -5.523 18 1HD ARG 2 2HD ARG 2 10.860 -8.363 -7.681 19 2HD ARG 2 1HD ARG 2 12.216 -8.519 -6.566 20 HE ARG 2 HE ARG 2 11.095 -11.016 -6.676 21 1HH1 ARG 2 1HH1 ARG 2 12.450 -8.801 -9.020 22 2HH1 ARG 2 2HH1 ARG 2 12.986 -10.061 -10.079 23 1HH2 ARG 2 1HH2 ARG 2 11.804 -12.664 -8.071 24 2HH2 ARG 2 2HH2 ARG 2 12.620 -12.251 -9.542 25 H LYS 3 H LYS 3 12.841 -7.991 -2.449 26 HA LYS 3 HA LYS 3 13.383 -10.132 -0.672 27 1HB LYS 3 2HB LYS 3 15.115 -8.845 -1.919 28 2HB LYS 3 1HB LYS 3 14.807 -7.473 -0.863 29 1HG LYS 3 2HG LYS 3 15.340 -9.152 1.043 30 2HG LYS 3 1HG LYS 3 16.112 -10.084 -0.241 31 1HD LYS 3 2HD LYS 3 16.803 -7.235 -0.241 32 2HD LYS 3 1HD LYS 3 17.313 -8.101 1.208 33 1HE LYS 3 2HE LYS 3 18.560 -9.673 -0.080 34 2HE LYS 3 1HE LYS 3 17.882 -9.061 -1.588 35 1HZ LYS 3 1HZ LYS 3 20.175 -8.293 -1.115 36 2HZ LYS 3 2HZ LYS 3 19.587 -7.452 0.230 37 3HZ LYS 3 3HZ LYS 3 19.069 -7.029 -1.323 38 H LEU 4 H LEU 4 11.487 -9.997 0.717 39 HA LEU 4 HA LEU 4 12.040 -8.902 3.222 40 1HB LEU 4 2HB LEU 4 10.033 -7.263 3.215 41 2HB LEU 4 1HB LEU 4 11.585 -6.732 2.598 42 HG LEU 4 HG LEU 4 10.828 -6.988 0.316 43 1HD1 LEU 4 1HD1 LEU 4 8.253 -7.465 0.115 44 2HD1 LEU 4 2HD1 LEU 4 8.519 -8.340 1.621 45 3HD1 LEU 4 3HD1 LEU 4 9.418 -8.787 0.173 46 1HD2 LEU 4 1HD2 LEU 4 10.261 -4.863 0.860 47 2HD2 LEU 4 2HD2 LEU 4 9.288 -5.359 2.244 48 3HD2 LEU 4 3HD2 LEU 4 8.633 -5.493 0.612 49 H SER 5 H SER 5 10.414 -9.359 4.795 50 HA SER 5 HA SER 5 8.745 -11.604 4.054 51 1HB SER 5 2HB SER 5 8.605 -10.455 6.790 52 2HB SER 5 1HB SER 5 8.716 -12.140 6.280 53 HG SER 5 HG SER 5 10.951 -11.559 5.656 54 H ASP 6 H ASP 6 6.458 -11.705 4.818 55 HA ASP 6 HA ASP 6 4.943 -9.627 3.703 56 1HB ASP 6 2HB ASP 6 3.693 -11.324 5.833 57 2HB ASP 6 1HB ASP 6 3.033 -10.778 4.304 58 H GLU 7 H GLU 7 6.297 -10.007 6.864 59 HA GLU 7 HA GLU 7 4.604 -8.103 8.161 60 1HB GLU 7 2HB GLU 7 6.849 -9.805 8.880 61 2HB GLU 7 1HB GLU 7 6.999 -8.208 9.598 62 1HG GLU 7 2HG GLU 7 4.798 -8.432 10.602 63 2HG GLU 7 1HG GLU 7 4.606 -10.015 9.850 64 H LEU 8 H LEU 8 7.673 -8.019 6.492 65 HA LEU 8 HA LEU 8 8.161 -5.242 7.110 66 1HB LEU 8 2HB LEU 8 9.548 -7.346 5.522 67 2HB LEU 8 1HB LEU 8 9.933 -5.663 5.213 68 HG LEU 8 HG LEU 8 11.479 -6.740 6.807 69 1HD1 LEU 8 1HD1 LEU 8 9.943 -4.668 8.307 70 2HD1 LEU 8 2HD1 LEU 8 10.776 -4.257 6.808 71 3HD1 LEU 8 3HD1 LEU 8 11.686 -4.892 8.179 72 1HD2 LEU 8 1HD2 LEU 8 10.846 -7.630 8.823 73 2HD2 LEU 8 2HD2 LEU 8 9.469 -8.082 7.818 74 3HD2 LEU 8 3HD2 LEU 8 9.357 -6.687 8.890 75 H LEU 9 H LEU 9 6.848 -7.150 4.493 76 HA LEU 9 HA LEU 9 6.738 -5.009 2.599 77 1HB LEU 9 2HB LEU 9 6.850 -7.279 1.803 78 2HB LEU 9 1HB LEU 9 5.410 -7.715 2.701 79 HG LEU 9 HG LEU 9 4.196 -6.002 1.206 80 1HD1 LEU 9 1HD1 LEU 9 6.480 -6.547 -0.659 81 2HD1 LEU 9 2HD1 LEU 9 6.438 -5.109 0.360 82 3HD1 LEU 9 3HD1 LEU 9 5.164 -5.385 -0.827 83 1HD2 LEU 9 1HD2 LEU 9 4.046 -7.710 -0.648 84 2HD2 LEU 9 2HD2 LEU 9 3.716 -8.312 0.977 85 3HD2 LEU 9 3HD2 LEU 9 5.276 -8.632 0.217 86 H ILE 10 H ILE 10 4.377 -6.616 4.690 87 HA ILE 10 HA ILE 10 2.219 -4.977 3.881 88 HB ILE 10 HB ILE 10 2.557 -6.673 6.350 89 1HG1 ILE 10 2HG1 ILE 10 0.846 -7.229 3.941 90 2HG1 ILE 10 1HG1 ILE 10 2.552 -7.668 3.969 91 1HG2 ILE 10 1HG2 ILE 10 0.149 -5.204 5.294 92 2HG2 ILE 10 2HG2 ILE 10 0.869 -5.099 6.900 93 3HG2 ILE 10 3HG2 ILE 10 0.028 -6.567 6.406 94 1HD1 ILE 10 1HD1 ILE 10 0.622 -9.318 4.711 95 2HD1 ILE 10 2HD1 ILE 10 0.913 -8.528 6.259 96 3HD1 ILE 10 3HD1 ILE 10 2.231 -9.350 5.424 97 H GLU 11 H GLU 11 4.623 -4.751 6.418 98 HA GLU 11 HA GLU 11 3.452 -2.645 7.877 99 1HB GLU 11 2HB GLU 11 6.192 -3.766 7.602 100 2HB GLU 11 1HB GLU 11 6.037 -2.177 8.322 101 1HG GLU 11 2HG GLU 11 4.583 -3.055 10.039 102 2HG GLU 11 1HG GLU 11 4.618 -4.649 9.287 103 H SER 12 H SER 12 5.232 -2.755 4.888 104 HA SER 12 HA SER 12 5.862 0.033 4.795 105 1HB SER 12 2HB SER 12 6.778 -2.082 3.405 106 2HB SER 12 1HB SER 12 5.573 -1.497 2.259 107 HG SER 12 HG SER 12 7.919 -0.275 3.167 108 H TYR 13 H TYR 13 3.343 -2.015 3.372 109 HA TYR 13 HA TYR 13 1.979 0.038 1.996 110 1HB TYR 13 2HB TYR 13 1.632 -2.397 1.600 111 2HB TYR 13 1HB TYR 13 0.833 -2.511 3.161 112 HD1 TYR 13 1HD TYR 13 -1.464 -2.154 3.327 113 HD2 TYR 13 2HD TYR 13 0.604 -0.781 -0.129 114 HE1 TYR 13 1HE TYR 13 -3.612 -1.579 2.276 115 HE2 TYR 13 2HE TYR 13 -1.539 -0.202 -1.188 116 HH TYR 13 HH TYR 13 -4.119 0.384 0.078 117 H PHE 14 H PHE 14 1.761 -1.250 5.253 118 HA PHE 14 HA PHE 14 -0.521 0.273 6.021 119 1HB PHE 14 2HB PHE 14 1.574 -1.222 7.576 120 2HB PHE 14 1HB PHE 14 0.240 -0.397 8.357 121 HD1 PHE 14 1HD PHE 14 -0.075 -2.755 9.308 122 HD2 PHE 14 2HD PHE 14 -0.728 -1.802 5.208 123 HE1 PHE 14 1HE PHE 14 -1.445 -4.782 9.055 124 HE2 PHE 14 2HE PHE 14 -2.098 -3.825 4.953 125 HZ PHE 14 HZ PHE 14 -2.458 -5.324 6.874 126 H LYS 15 H LYS 15 2.964 0.608 6.576 127 HA LYS 15 HA LYS 15 2.825 3.000 8.059 128 1HB LYS 15 2HB LYS 15 4.991 1.616 6.514 129 2HB LYS 15 1HB LYS 15 5.265 3.225 7.158 130 1HG LYS 15 2HG LYS 15 4.601 2.315 9.411 131 2HG LYS 15 1HG LYS 15 4.661 0.709 8.682 132 1HD LYS 15 2HD LYS 15 7.006 2.511 8.340 133 2HD LYS 15 1HD LYS 15 6.757 1.748 9.912 134 1HE LYS 15 2HE LYS 15 7.004 -0.396 9.050 135 2HE LYS 15 1HE LYS 15 6.664 0.123 7.400 136 1HZ LYS 15 1HZ LYS 15 9.100 0.884 8.913 137 2HZ LYS 15 2HZ LYS 15 8.784 1.183 7.279 138 3HZ LYS 15 3HZ LYS 15 9.028 -0.402 7.816 139 H ALA 16 H ALA 16 3.250 2.339 4.616 140 HA ALA 16 HA ALA 16 3.695 4.965 3.767 141 1HB ALA 16 1HB ALA 16 2.430 2.673 2.274 142 2HB ALA 16 2HB ALA 16 4.148 3.074 2.329 143 3HB ALA 16 3HB ALA 16 3.011 4.167 1.540 144 H THR 17 H THR 17 0.683 3.218 4.358 145 HA THR 17 HA THR 17 -0.992 5.216 3.217 146 HB THR 17 HB THR 17 -2.822 4.076 4.408 147 HG1 THR 17 1HG THR 17 -0.814 2.412 5.505 148 1HG2 THR 17 1HG2 THR 17 -2.759 2.722 2.660 149 2HG2 THR 17 2HG2 THR 17 -1.846 1.603 3.672 150 3HG2 THR 17 3HG2 THR 17 -0.997 2.734 2.618 151 H GLU 18 H GLU 18 0.433 4.705 6.365 152 HA GLU 18 HA GLU 18 -1.135 6.695 7.692 153 1HB GLU 18 2HB GLU 18 0.970 4.801 8.397 154 2HB GLU 18 1HB GLU 18 1.130 6.336 9.238 155 1HG GLU 18 2HG GLU 18 -0.755 6.031 10.452 156 2HG GLU 18 1HG GLU 18 -1.560 5.112 9.181 157 H MET 19 H MET 19 2.170 6.577 6.429 158 HA MET 19 HA MET 19 2.648 9.336 7.109 159 1HB MET 19 2HB MET 19 4.850 8.981 6.291 160 2HB MET 19 1HB MET 19 4.397 7.552 7.198 161 1HG MET 19 2HG MET 19 4.011 6.330 5.172 162 2HG MET 19 1HG MET 19 4.281 7.774 4.201 163 1HE MET 19 1HE MET 19 5.604 4.729 4.273 164 2HE MET 19 2HE MET 19 5.926 4.738 6.006 165 3HE MET 19 3HE MET 19 7.266 4.691 4.859 166 H ASN 20 H ASN 20 1.244 7.716 4.476 167 HA ASN 20 HA ASN 20 0.379 8.472 2.513 168 1HB ASN 20 2HB ASN 20 1.524 11.194 3.124 169 2HB ASN 20 1HB ASN 20 0.204 10.806 2.028 170 1HD2 ASN 20 1HD2 ASN 20 -1.727 11.238 2.778 171 2HD2 ASN 20 2HD2 ASN 20 -2.200 11.261 4.439 172 H LEU 21 H LEU 21 2.858 7.228 2.679 173 HA LEU 21 HA LEU 21 4.966 8.439 1.312 174 1HB LEU 21 2HB LEU 21 4.737 6.136 2.553 175 2HB LEU 21 1HB LEU 21 4.345 5.530 0.957 176 HG LEU 21 HG LEU 21 6.863 7.094 1.408 177 1HD1 LEU 21 1HD1 LEU 21 7.725 4.532 1.487 178 2HD1 LEU 21 2HD1 LEU 21 6.225 4.409 2.406 179 3HD1 LEU 21 3HD1 LEU 21 7.477 5.546 2.908 180 1HD2 LEU 21 1HD2 LEU 21 7.106 6.675 -0.762 181 2HD2 LEU 21 2HD2 LEU 21 5.636 5.702 -0.782 182 3HD2 LEU 21 3HD2 LEU 21 7.184 4.953 -0.395 183 H ASN 22 H ASN 22 5.704 8.077 -0.898 184 HA ASN 22 HA ASN 22 4.069 8.920 -2.882 185 1HB ASN 22 2HB ASN 22 6.599 8.492 -2.930 186 2HB ASN 22 1HB ASN 22 6.190 6.865 -3.464 187 1HD2 ASN 22 1HD2 ASN 22 6.707 10.059 -4.390 188 2HD2 ASN 22 2HD2 ASN 22 6.195 9.929 -6.036 189 H ARG 23 H ARG 23 2.607 8.131 -4.298 190 HA ARG 23 HA ARG 23 1.119 5.864 -3.686 191 1HB ARG 23 2HB ARG 23 0.580 7.934 -5.186 192 2HB ARG 23 1HB ARG 23 1.209 6.927 -6.483 193 1HG ARG 23 2HG ARG 23 -0.738 5.892 -6.650 194 2HG ARG 23 1HG ARG 23 -0.619 5.366 -4.971 195 1HD ARG 23 2HD ARG 23 -1.573 8.119 -5.697 196 2HD ARG 23 1HD ARG 23 -2.672 6.741 -5.663 197 HE ARG 23 HE ARG 23 -1.439 6.642 -3.246 198 1HH1 ARG 23 1HH1 ARG 23 -3.198 9.138 -4.954 199 2HH1 ARG 23 2HH1 ARG 23 -3.775 9.890 -3.505 200 1HH2 ARG 23 1HH2 ARG 23 -2.202 7.636 -1.348 201 2HH2 ARG 23 2HH2 ARG 23 -3.210 9.039 -1.461 202 H ASP 24 H ASP 24 3.932 6.198 -5.723 203 HA ASP 24 HA ASP 24 3.631 3.790 -7.155 204 1HB ASP 24 2HB ASP 24 5.361 5.860 -7.333 205 2HB ASP 24 1HB ASP 24 6.389 4.677 -6.530 206 H PHE 25 H PHE 25 5.014 4.529 -4.021 207 HA PHE 25 HA PHE 25 6.140 1.923 -3.628 208 1HB PHE 25 2HB PHE 25 6.741 4.207 -2.472 209 2HB PHE 25 1HB PHE 25 5.443 3.769 -1.366 210 HD1 PHE 25 1HD PHE 25 6.395 3.125 0.627 211 HD2 PHE 25 2HD PHE 25 8.084 1.724 -3.018 212 HE1 PHE 25 1HE PHE 25 7.960 1.716 1.898 213 HE2 PHE 25 2HE PHE 25 9.650 0.310 -1.754 214 HZ PHE 25 HZ PHE 25 9.591 0.305 0.708 215 H ILE 26 H ILE 26 3.235 3.643 -2.607 216 HA ILE 26 HA ILE 26 2.121 1.626 -1.001 217 HB ILE 26 HB ILE 26 0.791 3.821 -2.601 218 1HG1 ILE 26 2HG1 ILE 26 1.536 3.603 0.323 219 2HG1 ILE 26 1HG1 ILE 26 2.322 4.622 -0.877 220 1HG2 ILE 26 1HG2 ILE 26 -1.162 3.486 -1.106 221 2HG2 ILE 26 2HG2 ILE 26 -0.391 2.031 -0.474 222 3HG2 ILE 26 3HG2 ILE 26 -0.863 2.111 -2.171 223 1HD1 ILE 26 1HD1 ILE 26 -0.344 4.937 0.420 224 2HD1 ILE 26 2HD1 ILE 26 -0.032 5.667 -1.155 225 3HD1 ILE 26 3HD1 ILE 26 0.961 6.108 0.234 226 H GLU 27 H GLU 27 1.821 2.334 -4.461 227 HA GLU 27 HA GLU 27 0.005 0.179 -4.954 228 1HB GLU 27 2HB GLU 27 0.685 2.409 -6.345 229 2HB GLU 27 1HB GLU 27 1.635 1.204 -7.197 230 1HG GLU 27 2HG GLU 27 -0.678 -0.097 -7.144 231 2HG GLU 27 1HG GLU 27 -1.298 1.550 -7.046 232 H LEU 28 H LEU 28 3.466 0.630 -5.031 233 HA LEU 28 HA LEU 28 4.124 -1.762 -6.395 234 1HB LEU 28 2HB LEU 28 5.820 -0.157 -6.356 235 2HB LEU 28 1HB LEU 28 5.596 0.185 -4.654 236 HG LEU 28 HG LEU 28 6.671 -2.486 -5.469 237 1HD1 LEU 28 1HD1 LEU 28 7.905 -0.574 -6.656 238 2HD1 LEU 28 2HD1 LEU 28 8.860 -1.715 -5.709 239 3HD1 LEU 28 3HD1 LEU 28 8.472 -0.126 -5.047 240 1HD2 LEU 28 1HD2 LEU 28 6.338 -2.431 -3.192 241 2HD2 LEU 28 2HD2 LEU 28 6.705 -0.711 -3.071 242 3HD2 LEU 28 3HD2 LEU 28 8.008 -1.875 -3.303 243 H ILE 29 H ILE 29 3.892 -0.930 -2.951 244 HA ILE 29 HA ILE 29 4.582 -3.530 -2.029 245 HB ILE 29 HB ILE 29 3.012 -1.395 -0.573 246 1HG1 ILE 29 2HG1 ILE 29 5.926 -1.873 -0.137 247 2HG1 ILE 29 1HG1 ILE 29 5.436 -0.938 -1.543 248 1HG2 ILE 29 1HG2 ILE 29 4.607 -3.732 0.467 249 2HG2 ILE 29 2HG2 ILE 29 2.849 -3.602 0.450 250 3HG2 ILE 29 3HG2 ILE 29 3.803 -2.509 1.451 251 1HD1 ILE 29 1HD1 ILE 29 4.704 0.818 -0.288 252 2HD1 ILE 29 2HD1 ILE 29 5.990 0.207 0.753 253 3HD1 ILE 29 3HD1 ILE 29 4.309 -0.196 1.100 254 H GLU 30 H GLU 30 1.611 -1.946 -2.968 255 HA GLU 30 HA GLU 30 -0.117 -3.996 -1.936 256 1HB GLU 30 2HB GLU 30 -0.691 -1.520 -2.423 257 2HB GLU 30 1HB GLU 30 -0.867 -2.038 -4.093 258 1HG GLU 30 2HG GLU 30 -2.371 -3.890 -2.790 259 2HG GLU 30 1HG GLU 30 -2.622 -2.457 -1.794 260 H ASN 31 H ASN 31 1.500 -3.289 -4.954 261 HA ASN 31 HA ASN 31 0.074 -5.155 -6.552 262 1HB ASN 31 2HB ASN 31 2.602 -3.587 -6.838 263 2HB ASN 31 1HB ASN 31 2.311 -4.918 -7.950 264 1HD2 ASN 31 1HD2 ASN 31 2.483 -2.124 -8.563 265 2HD2 ASN 31 2HD2 ASN 31 0.966 -1.662 -9.247 266 H GLU 32 H GLU 32 2.811 -5.386 -4.409 267 HA GLU 32 HA GLU 32 3.603 -7.999 -5.345 268 1HB GLU 32 2HB GLU 32 5.203 -6.347 -4.324 269 2HB GLU 32 1HB GLU 32 4.398 -6.601 -2.782 270 1HG GLU 32 2HG GLU 32 6.369 -7.929 -2.816 271 2HG GLU 32 1HG GLU 32 4.983 -9.010 -2.946 272 H ILE 33 H ILE 33 1.960 -6.621 -2.544 273 HA ILE 33 HA ILE 33 1.435 -9.057 -1.214 274 HB ILE 33 HB ILE 33 -0.035 -6.410 -1.118 275 1HG1 ILE 33 2HG1 ILE 33 1.886 -7.516 0.923 276 2HG1 ILE 33 1HG1 ILE 33 2.435 -6.551 -0.443 277 1HG2 ILE 33 1HG2 ILE 33 -0.264 -7.951 1.301 278 2HG2 ILE 33 2HG2 ILE 33 -0.870 -8.878 -0.070 279 3HG2 ILE 33 3HG2 ILE 33 -1.533 -7.284 0.274 280 1HD1 ILE 33 1HD1 ILE 33 0.456 -5.654 1.637 281 2HD1 ILE 33 2HD1 ILE 33 1.085 -4.687 0.303 282 3HD1 ILE 33 3HD1 ILE 33 2.165 -5.224 1.590 283 H LYS 34 H LYS 34 -0.182 -7.277 -3.773 284 HA LYS 34 HA LYS 34 -2.611 -8.751 -3.725 285 1HB LYS 34 2HB LYS 34 -1.285 -6.842 -5.587 286 2HB LYS 34 1HB LYS 34 -2.548 -7.868 -6.251 287 1HG LYS 34 2HG LYS 34 -3.498 -6.806 -3.800 288 2HG LYS 34 1HG LYS 34 -2.802 -5.481 -4.731 289 1HD LYS 34 2HD LYS 34 -4.257 -5.862 -6.549 290 2HD LYS 34 1HD LYS 34 -4.734 -7.447 -5.935 291 1HE LYS 34 2HE LYS 34 -6.024 -6.509 -4.210 292 2HE LYS 34 1HE LYS 34 -5.280 -4.922 -4.405 293 1HZ LYS 34 1HZ LYS 34 -7.648 -5.475 -5.379 294 2HZ LYS 34 2HZ LYS 34 -6.732 -6.025 -6.690 295 3HZ LYS 34 3HZ LYS 34 -6.589 -4.422 -6.172 296 H ARG 35 H ARG 35 0.339 -8.961 -5.696 297 HA ARG 35 HA ARG 35 -0.523 -11.252 -7.158 298 1HB ARG 35 2HB ARG 35 1.501 -9.431 -7.448 299 2HB ARG 35 1HB ARG 35 2.381 -10.848 -6.895 300 1HG ARG 35 2HG ARG 35 0.410 -11.097 -9.123 301 2HG ARG 35 1HG ARG 35 2.024 -10.454 -9.432 302 1HD ARG 35 2HD ARG 35 1.452 -13.101 -8.106 303 2HD ARG 35 1HD ARG 35 1.843 -12.897 -9.813 304 HE ARG 35 HE ARG 35 3.786 -11.771 -8.007 305 1HH1 ARG 35 1HH1 ARG 35 2.807 -14.643 -9.751 306 2HH1 ARG 35 2HH1 ARG 35 4.393 -15.337 -9.737 307 1HH2 ARG 35 1HH2 ARG 35 5.865 -12.690 -7.996 308 2HH2 ARG 35 2HH2 ARG 35 6.126 -14.231 -8.743 309 H ARG 36 H ARG 36 0.963 -10.754 -4.070 310 HA ARG 36 HA ARG 36 1.976 -13.432 -3.803 311 1HB ARG 36 2HB ARG 36 1.772 -11.035 -2.016 312 2HB ARG 36 1HB ARG 36 2.148 -12.603 -1.325 313 1HG ARG 36 2HG ARG 36 3.814 -12.171 -3.604 314 2HG ARG 36 1HG ARG 36 3.901 -10.763 -2.544 315 1HD ARG 36 2HD ARG 36 5.581 -12.161 -1.739 316 2HD ARG 36 1HD ARG 36 4.230 -12.469 -0.649 317 HE ARG 36 HE ARG 36 4.104 -14.613 -1.453 318 1HH1 ARG 36 1HH1 ARG 36 6.165 -12.736 -3.567 319 2HH1 ARG 36 2HH1 ARG 36 6.707 -14.116 -4.460 320 1HH2 ARG 36 1HH2 ARG 36 4.821 -16.420 -2.632 321 2HH2 ARG 36 2HH2 ARG 36 5.944 -16.204 -3.932 322 H SER 37 H SER 37 -1.132 -12.384 -3.892 323 HA SER 37 HA SER 37 -3.115 -13.218 -3.165 324 1HB SER 37 2HB SER 37 -2.158 -15.384 -3.857 325 2HB SER 37 1HB SER 37 -1.425 -15.566 -2.263 326 HG SER 37 HG SER 37 -3.472 -16.666 -2.551 327 H LEU 38 H LEU 38 -1.557 -11.507 -1.473 328 HA LEU 38 HA LEU 38 -2.523 -12.368 1.179 329 1HB LEU 38 2HB LEU 38 0.035 -12.217 0.655 330 2HB LEU 38 1HB LEU 38 -0.221 -10.495 0.849 331 HG LEU 38 HG LEU 38 -1.185 -10.995 3.123 332 1HD1 LEU 38 1HD1 LEU 38 -1.165 -13.077 4.029 333 2HD1 LEU 38 2HD1 LEU 38 0.229 -13.596 3.082 334 3HD1 LEU 38 3HD1 LEU 38 -1.367 -13.527 2.336 335 1HD2 LEU 38 1HD2 LEU 38 0.988 -11.227 4.165 336 2HD2 LEU 38 2HD2 LEU 38 1.096 -10.154 2.768 337 3HD2 LEU 38 3HD2 LEU 38 1.675 -11.817 2.651 338 H GLY 39 H GLY 39 -3.573 -10.517 -1.126 339 1HA GLY 39 2HA GLY 39 -3.594 -7.865 -0.224 340 2HA GLY 39 1HA GLY 39 -4.837 -8.603 -1.230 341 H HIS 40 H HIS 40 -5.356 -10.651 0.908 342 HA HIS 40 HA HIS 40 -7.487 -9.349 2.195 343 1HB HIS 40 2HB HIS 40 -7.496 -11.412 3.675 344 2HB HIS 40 1HB HIS 40 -7.624 -11.712 1.945 345 HD1 HIS 40 1HD HIS 40 -6.125 -13.486 1.110 346 HD2 HIS 40 2HD HIS 40 -4.637 -11.710 4.559 347 HE1 HIS 40 1HE HIS 40 -4.025 -14.753 1.666 348 HE2 HIS 40 2HE HIS 40 -3.171 -13.696 3.788 349 H ILE 41 H ILE 41 -4.141 -9.816 3.062 350 HA ILE 41 HA ILE 41 -4.352 -9.181 5.807 351 HB ILE 41 HB ILE 41 -2.398 -10.272 4.500 352 1HG1 ILE 41 2HG1 ILE 41 -0.790 -9.613 6.218 353 2HG1 ILE 41 1HG1 ILE 41 -1.810 -8.245 6.656 354 1HG2 ILE 41 1HG2 ILE 41 -2.206 -7.959 3.176 355 2HG2 ILE 41 2HG2 ILE 41 -0.848 -9.055 3.412 356 3HG2 ILE 41 3HG2 ILE 41 -1.046 -7.656 4.467 357 1HD1 ILE 41 1HD1 ILE 41 -2.857 -11.044 6.743 358 2HD1 ILE 41 2HD1 ILE 41 -3.431 -9.614 7.600 359 3HD1 ILE 41 3HD1 ILE 41 -1.914 -10.377 8.075 360 H ILE 42 H ILE 42 -4.106 -7.278 2.895 361 HA ILE 42 HA ILE 42 -3.732 -4.792 4.352 362 HB ILE 42 HB ILE 42 -3.464 -3.720 2.244 363 1HG1 ILE 42 2HG1 ILE 42 -4.048 -6.159 0.635 364 2HG1 ILE 42 1HG1 ILE 42 -5.400 -5.172 1.162 365 1HG2 ILE 42 1HG2 ILE 42 -2.245 -6.429 1.916 366 2HG2 ILE 42 2HG2 ILE 42 -1.641 -5.197 3.022 367 3HG2 ILE 42 3HG2 ILE 42 -1.648 -4.896 1.284 368 1HD1 ILE 42 1HD1 ILE 42 -3.911 -4.810 -1.108 369 2HD1 ILE 42 2HD1 ILE 42 -3.264 -3.600 -0.001 370 3HD1 ILE 42 3HD1 ILE 42 -4.989 -3.625 -0.371 371 H SER 43 H SER 43 -6.231 -6.615 2.788 372 HA SER 43 HA SER 43 -8.470 -6.396 2.730 373 1HB SER 43 2HB SER 43 -8.053 -5.454 5.136 374 2HB SER 43 1HB SER 43 -8.382 -3.890 4.389 375 HG SER 43 HG SER 43 -10.400 -4.741 3.706 376 H VAL 44 H VAL 44 -7.860 -5.868 0.506 377 HA VAL 44 HA VAL 44 -7.721 -3.148 -0.343 378 HB VAL 44 HB VAL 44 -8.541 -5.246 -2.297 379 1HG1 VAL 44 1HG1 VAL 44 -6.523 -3.012 -2.350 380 2HG1 VAL 44 2HG1 VAL 44 -8.151 -2.971 -3.027 381 3HG1 VAL 44 3HG1 VAL 44 -6.937 -4.051 -3.712 382 1HG2 VAL 44 1HG2 VAL 44 -5.768 -5.453 -2.276 383 2HG2 VAL 44 2HG2 VAL 44 -6.919 -6.678 -1.746 384 3HG2 VAL 44 3HG2 VAL 44 -6.228 -5.558 -0.581 385 H SER 45 H SER 45 -9.251 -2.019 -1.664 386 HA SER 45 HA SER 45 -11.979 -2.472 -0.791 387 1HB SER 45 2HB SER 45 -11.236 -0.195 -0.711 388 2HB SER 45 1HB SER 45 -10.676 -0.255 -2.382 389 HG SER 45 HG SER 45 -13.352 -0.349 -1.450 390 H SER 46 H SER 46 -12.631 -4.311 -1.904 391 HA SER 46 HA SER 46 -13.490 -3.840 -4.620 392 1HB SER 46 2HB SER 46 -12.445 -6.220 -5.187 393 2HB SER 46 1HB SER 46 -11.522 -4.734 -5.406 394 HG SER 46 HG SER 46 -11.308 -6.691 -3.406 Start of MODEL 25 1 1H MET 1 1HT MET 1 13.343 -5.329 -2.309 2 2H MET 1 2HT MET 1 12.247 -5.789 -1.072 3 3H MET 1 3HT MET 1 12.430 -4.134 -1.487 4 HA MET 1 HA MET 1 10.497 -4.685 -2.503 5 1HB MET 1 2HB MET 1 12.922 -4.600 -4.156 6 2HB MET 1 1HB MET 1 11.534 -5.292 -4.983 7 1HG MET 1 2HG MET 1 11.767 -2.876 -5.348 8 2HG MET 1 1HG MET 1 10.240 -3.310 -4.584 9 1HE MET 1 1HE MET 1 9.696 -1.255 -2.045 10 2HE MET 1 2HE MET 1 10.375 -2.625 -1.167 11 3HE MET 1 3HE MET 1 9.460 -2.894 -2.650 12 H ARG 2 H ARG 2 12.680 -7.090 -3.971 13 HA ARG 2 HA ARG 2 10.517 -9.000 -4.119 14 1HB ARG 2 2HB ARG 2 12.123 -10.409 -5.315 15 2HB ARG 2 1HB ARG 2 12.075 -8.785 -5.988 16 1HG ARG 2 2HG ARG 2 14.091 -9.023 -3.925 17 2HG ARG 2 1HG ARG 2 14.327 -10.205 -5.213 18 1HD ARG 2 2HD ARG 2 13.944 -7.247 -5.652 19 2HD ARG 2 1HD ARG 2 15.510 -8.053 -5.595 20 HE ARG 2 HE ARG 2 13.815 -9.285 -7.502 21 1HH1 ARG 2 1HH1 ARG 2 15.778 -6.430 -7.018 22 2HH1 ARG 2 2HH1 ARG 2 16.072 -6.201 -8.708 23 1HH2 ARG 2 1HH2 ARG 2 14.208 -8.976 -9.720 24 2HH2 ARG 2 2HH2 ARG 2 15.183 -7.642 -10.239 25 H LYS 3 H LYS 3 13.341 -8.451 -2.142 26 HA LYS 3 HA LYS 3 12.929 -11.031 -0.799 27 1HB LYS 3 2HB LYS 3 15.260 -9.172 -1.037 28 2HB LYS 3 1HB LYS 3 15.160 -10.250 0.348 29 1HG LYS 3 2HG LYS 3 14.729 -12.050 -1.538 30 2HG LYS 3 1HG LYS 3 15.605 -10.873 -2.517 31 1HD LYS 3 2HD LYS 3 16.748 -11.566 0.131 32 2HD LYS 3 1HD LYS 3 16.838 -12.791 -1.137 33 1HE LYS 3 2HE LYS 3 17.745 -9.948 -1.526 34 2HE LYS 3 1HE LYS 3 18.815 -11.229 -0.960 35 1HZ LYS 3 1HZ LYS 3 19.146 -11.179 -3.242 36 2HZ LYS 3 2HZ LYS 3 17.507 -10.953 -3.591 37 3HZ LYS 3 3HZ LYS 3 18.055 -12.458 -3.048 38 H LEU 4 H LEU 4 11.011 -10.248 0.283 39 HA LEU 4 HA LEU 4 11.672 -8.978 2.816 40 1HB LEU 4 2HB LEU 4 9.371 -7.917 1.190 41 2HB LEU 4 1HB LEU 4 9.991 -7.292 2.704 42 HG LEU 4 HG LEU 4 11.571 -7.257 0.137 43 1HD1 LEU 4 1HD1 LEU 4 9.620 -5.293 1.272 44 2HD1 LEU 4 2HD1 LEU 4 9.795 -5.863 -0.387 45 3HD1 LEU 4 3HD1 LEU 4 10.983 -4.751 0.291 46 1HD2 LEU 4 1HD2 LEU 4 12.022 -5.359 2.359 47 2HD2 LEU 4 2HD2 LEU 4 13.176 -6.123 1.267 48 3HD2 LEU 4 3HD2 LEU 4 12.514 -7.030 2.626 49 H SER 5 H SER 5 10.116 -9.345 4.450 50 HA SER 5 HA SER 5 8.519 -11.741 4.003 51 1HB SER 5 2HB SER 5 8.187 -11.548 6.535 52 2HB SER 5 1HB SER 5 9.826 -11.880 5.975 53 HG SER 5 HG SER 5 10.251 -10.214 7.210 54 H ASP 6 H ASP 6 6.302 -11.843 4.912 55 HA ASP 6 HA ASP 6 4.678 -9.822 3.840 56 1HB ASP 6 2HB ASP 6 3.517 -11.387 6.094 57 2HB ASP 6 1HB ASP 6 2.846 -11.013 4.519 58 H GLU 7 H GLU 7 6.226 -10.114 6.926 59 HA GLU 7 HA GLU 7 4.610 -8.137 8.230 60 1HB GLU 7 2HB GLU 7 6.775 -9.916 8.948 61 2HB GLU 7 1HB GLU 7 7.078 -8.300 9.571 62 1HG GLU 7 2HG GLU 7 4.646 -8.433 10.432 63 2HG GLU 7 1HG GLU 7 4.831 -10.169 10.186 64 H LEU 8 H LEU 8 7.612 -8.186 6.444 65 HA LEU 8 HA LEU 8 8.216 -5.420 6.996 66 1HB LEU 8 2HB LEU 8 9.470 -7.597 5.405 67 2HB LEU 8 1HB LEU 8 9.892 -5.937 5.029 68 HG LEU 8 HG LEU 8 11.442 -7.107 6.612 69 1HD1 LEU 8 1HD1 LEU 8 11.985 -5.150 7.608 70 2HD1 LEU 8 2HD1 LEU 8 10.327 -4.821 8.113 71 3HD1 LEU 8 3HD1 LEU 8 10.814 -4.533 6.442 72 1HD2 LEU 8 1HD2 LEU 8 9.276 -8.051 7.851 73 2HD2 LEU 8 2HD2 LEU 8 9.560 -6.616 8.836 74 3HD2 LEU 8 3HD2 LEU 8 10.824 -7.834 8.667 75 H LEU 9 H LEU 9 6.786 -7.311 4.415 76 HA LEU 9 HA LEU 9 6.672 -5.148 2.548 77 1HB LEU 9 2HB LEU 9 6.734 -7.474 1.801 78 2HB LEU 9 1HB LEU 9 5.203 -7.782 2.599 79 HG LEU 9 HG LEU 9 4.150 -6.101 1.059 80 1HD1 LEU 9 1HD1 LEU 9 5.285 -5.267 -0.809 81 2HD1 LEU 9 2HD1 LEU 9 6.643 -6.371 -0.588 82 3HD1 LEU 9 3HD1 LEU 9 6.404 -5.031 0.534 83 1HD2 LEU 9 1HD2 LEU 9 4.174 -7.619 -0.906 84 2HD2 LEU 9 2HD2 LEU 9 3.886 -8.450 0.622 85 3HD2 LEU 9 3HD2 LEU 9 5.474 -8.531 -0.138 86 H ILE 10 H ILE 10 4.359 -6.675 4.749 87 HA ILE 10 HA ILE 10 2.192 -5.042 3.937 88 HB ILE 10 HB ILE 10 2.568 -6.684 6.434 89 1HG1 ILE 10 2HG1 ILE 10 0.759 -7.228 4.096 90 2HG1 ILE 10 1HG1 ILE 10 2.450 -7.715 4.073 91 1HG2 ILE 10 1HG2 ILE 10 -0.036 -6.506 6.397 92 2HG2 ILE 10 2HG2 ILE 10 0.269 -5.011 5.514 93 3HG2 ILE 10 3HG2 ILE 10 0.920 -5.222 7.139 94 1HD1 ILE 10 1HD1 ILE 10 2.093 -9.426 5.451 95 2HD1 ILE 10 2HD1 ILE 10 0.413 -9.229 4.970 96 3HD1 ILE 10 3HD1 ILE 10 0.985 -8.508 6.470 97 H GLU 11 H GLU 11 4.578 -4.797 6.534 98 HA GLU 11 HA GLU 11 3.444 -2.575 7.839 99 1HB GLU 11 2HB GLU 11 6.134 -3.814 7.736 100 2HB GLU 11 1HB GLU 11 6.060 -2.159 8.289 101 1HG GLU 11 2HG GLU 11 5.988 -3.846 10.105 102 2HG GLU 11 1HG GLU 11 4.619 -2.737 10.091 103 H SER 12 H SER 12 5.280 -2.900 4.898 104 HA SER 12 HA SER 12 6.033 -0.160 4.656 105 1HB SER 12 2HB SER 12 5.754 -2.328 2.556 106 2HB SER 12 1HB SER 12 6.485 -0.747 2.277 107 HG SER 12 HG SER 12 8.161 -2.057 2.763 108 H TYR 13 H TYR 13 3.373 -2.126 3.413 109 HA TYR 13 HA TYR 13 2.122 -0.059 1.925 110 1HB TYR 13 2HB TYR 13 1.695 -2.479 1.569 111 2HB TYR 13 1HB TYR 13 0.897 -2.550 3.134 112 HD1 TYR 13 1HD TYR 13 0.715 -0.649 -0.076 113 HD2 TYR 13 2HD TYR 13 -1.403 -2.355 3.195 114 HE1 TYR 13 1HE TYR 13 -1.415 -0.034 -1.143 115 HE2 TYR 13 2HE TYR 13 -3.538 -1.747 2.139 116 HH TYR 13 HH TYR 13 -4.039 0.384 0.093 117 H PHE 14 H PHE 14 1.794 -1.275 5.200 118 HA PHE 14 HA PHE 14 -0.428 0.360 5.906 119 1HB PHE 14 2HB PHE 14 1.567 -1.187 7.541 120 2HB PHE 14 1HB PHE 14 0.216 -0.332 8.254 121 HD1 PHE 14 1HD PHE 14 -0.080 -2.746 9.178 122 HD2 PHE 14 2HD PHE 14 -0.742 -1.676 5.107 123 HE1 PHE 14 1HE PHE 14 -1.475 -4.749 8.876 124 HE2 PHE 14 2HE PHE 14 -2.138 -3.677 4.806 125 HZ PHE 14 HZ PHE 14 -2.505 -5.223 6.687 126 H LYS 15 H LYS 15 3.068 0.628 6.277 127 HA LYS 15 HA LYS 15 3.075 2.946 7.891 128 1HB LYS 15 2HB LYS 15 5.079 1.515 6.212 129 2HB LYS 15 1HB LYS 15 5.427 3.177 6.631 130 1HG LYS 15 2HG LYS 15 6.380 1.344 8.122 131 2HG LYS 15 1HG LYS 15 5.603 2.714 8.900 132 1HD LYS 15 2HD LYS 15 3.655 0.666 8.426 133 2HD LYS 15 1HD LYS 15 5.052 -0.035 9.233 134 1HE LYS 15 2HE LYS 15 3.826 2.516 10.215 135 2HE LYS 15 1HE LYS 15 3.141 0.954 10.662 136 1HZ LYS 15 1HZ LYS 15 5.272 0.319 11.593 137 2HZ LYS 15 2HZ LYS 15 4.724 1.749 12.310 138 3HZ LYS 15 3HZ LYS 15 5.947 1.804 11.142 139 H ALA 16 H ALA 16 3.570 2.503 4.404 140 HA ALA 16 HA ALA 16 3.783 5.180 3.695 141 1HB ALA 16 1HB ALA 16 2.783 2.820 2.118 142 2HB ALA 16 2HB ALA 16 4.413 3.494 2.136 143 3HB ALA 16 3HB ALA 16 3.088 4.410 1.419 144 H THR 17 H THR 17 0.907 3.222 4.232 145 HA THR 17 HA THR 17 -0.907 5.098 3.103 146 HB THR 17 HB THR 17 -2.584 3.817 4.605 147 HG1 THR 17 1HG THR 17 -1.331 2.828 6.070 148 1HG2 THR 17 1HG2 THR 17 -2.981 2.681 2.759 149 2HG2 THR 17 2HG2 THR 17 -1.583 1.653 3.070 150 3HG2 THR 17 3HG2 THR 17 -1.396 3.138 2.139 151 H GLU 18 H GLU 18 0.548 4.680 6.253 152 HA GLU 18 HA GLU 18 -1.161 6.586 7.553 153 1HB GLU 18 2HB GLU 18 1.007 4.785 8.316 154 2HB GLU 18 1HB GLU 18 1.065 6.324 9.164 155 1HG GLU 18 2HG GLU 18 -1.308 5.981 9.817 156 2HG GLU 18 1HG GLU 18 -1.224 4.374 9.095 157 H MET 19 H MET 19 2.180 6.591 6.391 158 HA MET 19 HA MET 19 2.548 9.368 7.060 159 1HB MET 19 2HB MET 19 4.769 9.085 6.227 160 2HB MET 19 1HB MET 19 4.364 7.688 7.204 161 1HG MET 19 2HG MET 19 4.076 6.332 5.279 162 2HG MET 19 1HG MET 19 4.177 7.725 4.207 163 1HE MET 19 1HE MET 19 6.240 4.866 5.918 164 2HE MET 19 2HE MET 19 7.395 4.971 4.590 165 3HE MET 19 3HE MET 19 5.667 4.891 4.252 166 H ASN 20 H ASN 20 1.128 7.768 4.474 167 HA ASN 20 HA ASN 20 0.334 8.444 2.467 168 1HB ASN 20 2HB ASN 20 1.012 11.076 3.706 169 2HB ASN 20 1HB ASN 20 0.631 11.024 1.990 170 1HD2 ASN 20 1HD2 ASN 20 -1.041 12.493 3.206 171 2HD2 ASN 20 2HD2 ASN 20 -2.536 11.708 3.570 172 H LEU 21 H LEU 21 2.855 7.326 2.613 173 HA LEU 21 HA LEU 21 4.905 8.686 1.279 174 1HB LEU 21 2HB LEU 21 4.813 6.361 2.502 175 2HB LEU 21 1HB LEU 21 4.461 5.749 0.901 176 HG LEU 21 HG LEU 21 6.878 7.456 1.354 177 1HD1 LEU 21 1HD1 LEU 21 6.404 4.764 2.403 178 2HD1 LEU 21 2HD1 LEU 21 7.606 5.972 2.859 179 3HD1 LEU 21 3HD1 LEU 21 7.882 4.938 1.459 180 1HD2 LEU 21 1HD2 LEU 21 5.743 5.980 -0.826 181 2HD2 LEU 21 2HD2 LEU 21 7.321 5.306 -0.424 182 3HD2 LEU 21 3HD2 LEU 21 7.166 7.019 -0.809 183 H ASN 22 H ASN 22 5.669 8.331 -0.948 184 HA ASN 22 HA ASN 22 4.022 9.127 -2.929 185 1HB ASN 22 2HB ASN 22 6.553 8.721 -2.990 186 2HB ASN 22 1HB ASN 22 6.156 7.085 -3.507 187 1HD2 ASN 22 1HD2 ASN 22 5.481 10.471 -4.285 188 2HD2 ASN 22 2HD2 ASN 22 5.409 10.245 -5.996 189 H ARG 23 H ARG 23 2.464 8.352 -4.207 190 HA ARG 23 HA ARG 23 1.039 6.059 -3.612 191 1HB ARG 23 2HB ARG 23 0.433 8.139 -5.061 192 2HB ARG 23 1HB ARG 23 1.039 7.167 -6.395 193 1HG ARG 23 2HG ARG 23 -0.806 5.681 -4.725 194 2HG ARG 23 1HG ARG 23 -1.529 7.157 -5.363 195 1HD ARG 23 2HD ARG 23 0.023 5.393 -7.199 196 2HD ARG 23 1HD ARG 23 -1.606 4.912 -6.727 197 HE ARG 23 HE ARG 23 -1.956 7.459 -7.522 198 1HH1 ARG 23 1HH1 ARG 23 -0.381 4.729 -9.040 199 2HH1 ARG 23 2HH1 ARG 23 -0.731 5.269 -10.647 200 1HH2 ARG 23 1HH2 ARG 23 -2.411 8.160 -9.635 201 2HH2 ARG 23 2HH2 ARG 23 -1.882 7.213 -10.985 202 H ASP 24 H ASP 24 3.860 6.382 -5.610 203 HA ASP 24 HA ASP 24 3.493 3.997 -7.103 204 1HB ASP 24 2HB ASP 24 5.224 6.083 -7.287 205 2HB ASP 24 1HB ASP 24 6.271 4.861 -6.573 206 H PHE 25 H PHE 25 4.969 4.719 -4.007 207 HA PHE 25 HA PHE 25 6.138 2.131 -3.664 208 1HB PHE 25 2HB PHE 25 6.707 4.414 -2.486 209 2HB PHE 25 1HB PHE 25 5.439 3.931 -1.366 210 HD1 PHE 25 1HD PHE 25 8.219 2.118 -3.077 211 HD2 PHE 25 2HD PHE 25 6.320 3.140 0.592 212 HE1 PHE 25 1HE PHE 25 9.841 0.729 -1.855 213 HE2 PHE 25 2HE PHE 25 7.940 1.753 1.820 214 HZ PHE 25 HZ PHE 25 9.704 0.545 0.597 215 H ILE 26 H ILE 26 3.231 3.778 -2.515 216 HA ILE 26 HA ILE 26 2.186 1.721 -0.933 217 HB ILE 26 HB ILE 26 0.785 3.905 -2.485 218 1HG1 ILE 26 2HG1 ILE 26 1.544 3.650 0.431 219 2HG1 ILE 26 1HG1 ILE 26 2.318 4.699 -0.753 220 1HG2 ILE 26 1HG2 ILE 26 -0.343 2.056 -0.377 221 2HG2 ILE 26 2HG2 ILE 26 -0.832 2.155 -2.069 222 3HG2 ILE 26 3HG2 ILE 26 -1.148 3.505 -0.978 223 1HD1 ILE 26 1HD1 ILE 26 0.858 6.303 -0.329 224 2HD1 ILE 26 2HD1 ILE 26 0.165 5.294 0.939 225 3HD1 ILE 26 3HD1 ILE 26 -0.491 5.228 -0.696 226 H GLU 27 H GLU 27 1.776 2.441 -4.387 227 HA GLU 27 HA GLU 27 -0.006 0.256 -4.839 228 1HB GLU 27 2HB GLU 27 0.632 2.488 -6.254 229 2HB GLU 27 1HB GLU 27 1.559 1.278 -7.127 230 1HG GLU 27 2HG GLU 27 -0.526 -0.056 -7.362 231 2HG GLU 27 1HG GLU 27 -1.408 1.287 -6.635 232 H LEU 28 H LEU 28 3.443 0.754 -5.026 233 HA LEU 28 HA LEU 28 4.106 -1.632 -6.384 234 1HB LEU 28 2HB LEU 28 5.796 -0.033 -6.377 235 2HB LEU 28 1HB LEU 28 5.568 0.353 -4.687 236 HG LEU 28 HG LEU 28 6.686 -2.322 -5.432 237 1HD1 LEU 28 1HD1 LEU 28 7.982 -0.689 -6.723 238 2HD1 LEU 28 2HD1 LEU 28 8.933 -1.395 -5.416 239 3HD1 LEU 28 3HD1 LEU 28 8.277 0.233 -5.248 240 1HD2 LEU 28 1HD2 LEU 28 6.691 -0.490 -3.076 241 2HD2 LEU 28 2HD2 LEU 28 8.001 -1.651 -3.279 242 3HD2 LEU 28 3HD2 LEU 28 6.336 -2.215 -3.155 243 H ILE 29 H ILE 29 3.961 -0.806 -2.930 244 HA ILE 29 HA ILE 29 4.691 -3.389 -2.017 245 HB ILE 29 HB ILE 29 3.056 -1.324 -0.533 246 1HG1 ILE 29 2HG1 ILE 29 5.991 -1.643 -0.115 247 2HG1 ILE 29 1HG1 ILE 29 5.459 -0.761 -1.541 248 1HG2 ILE 29 1HG2 ILE 29 4.770 -3.605 0.437 249 2HG2 ILE 29 2HG2 ILE 29 3.009 -3.522 0.490 250 3HG2 ILE 29 3HG2 ILE 29 3.974 -2.414 1.464 251 1HD1 ILE 29 1HD1 ILE 29 5.935 0.433 0.766 252 2HD1 ILE 29 2HD1 ILE 29 4.255 -0.015 1.059 253 3HD1 ILE 29 3HD1 ILE 29 4.671 0.989 -0.330 254 H GLU 30 H GLU 30 1.668 -1.876 -2.914 255 HA GLU 30 HA GLU 30 0.005 -3.967 -1.865 256 1HB GLU 30 2HB GLU 30 -0.587 -1.474 -2.404 257 2HB GLU 30 1HB GLU 30 -0.875 -2.086 -4.027 258 1HG GLU 30 2HG GLU 30 -2.307 -3.867 -2.662 259 2HG GLU 30 1HG GLU 30 -2.399 -2.516 -1.531 260 H ASN 31 H ASN 31 1.580 -3.243 -4.896 261 HA ASN 31 HA ASN 31 0.163 -5.119 -6.487 262 1HB ASN 31 2HB ASN 31 2.678 -3.530 -6.784 263 2HB ASN 31 1HB ASN 31 2.388 -4.861 -7.899 264 1HD2 ASN 31 1HD2 ASN 31 2.069 -3.646 -9.699 265 2HD2 ASN 31 2HD2 ASN 31 0.727 -2.580 -9.910 266 H GLU 32 H GLU 32 2.896 -5.343 -4.340 267 HA GLU 32 HA GLU 32 3.720 -7.937 -5.303 268 1HB GLU 32 2HB GLU 32 5.302 -6.285 -4.268 269 2HB GLU 32 1HB GLU 32 4.490 -6.545 -2.731 270 1HG GLU 32 2HG GLU 32 6.269 -7.960 -2.525 271 2HG GLU 32 1HG GLU 32 5.056 -9.053 -3.192 272 H ILE 33 H ILE 33 2.020 -6.605 -2.524 273 HA ILE 33 HA ILE 33 1.549 -9.049 -1.187 274 HB ILE 33 HB ILE 33 -0.026 -6.462 -1.109 275 1HG1 ILE 33 2HG1 ILE 33 1.963 -7.389 0.942 276 2HG1 ILE 33 1HG1 ILE 33 2.490 -6.515 -0.491 277 1HG2 ILE 33 1HG2 ILE 33 0.051 -8.439 1.135 278 2HG2 ILE 33 2HG2 ILE 33 -1.091 -8.660 -0.188 279 3HG2 ILE 33 3HG2 ILE 33 -1.143 -7.192 0.782 280 1HD1 ILE 33 1HD1 ILE 33 0.484 -5.506 1.511 281 2HD1 ILE 33 2HD1 ILE 33 1.120 -4.623 0.123 282 3HD1 ILE 33 3HD1 ILE 33 2.189 -5.059 1.458 283 H LYS 34 H LYS 34 -0.099 -7.339 -3.778 284 HA LYS 34 HA LYS 34 -2.492 -8.874 -3.715 285 1HB LYS 34 2HB LYS 34 -1.277 -6.837 -5.446 286 2HB LYS 34 1HB LYS 34 -2.253 -8.008 -6.323 287 1HG LYS 34 2HG LYS 34 -4.114 -7.537 -4.730 288 2HG LYS 34 1HG LYS 34 -3.129 -6.240 -4.053 289 1HD LYS 34 2HD LYS 34 -3.298 -6.097 -6.954 290 2HD LYS 34 1HD LYS 34 -4.887 -6.039 -6.189 291 1HE LYS 34 2HE LYS 34 -4.470 -4.048 -5.160 292 2HE LYS 34 1HE LYS 34 -2.740 -4.358 -5.021 293 1HZ LYS 34 1HZ LYS 34 -2.808 -4.115 -7.585 294 2HZ LYS 34 2HZ LYS 34 -2.810 -2.729 -6.616 295 3HZ LYS 34 3HZ LYS 34 -4.254 -3.284 -7.300 296 H ARG 35 H ARG 35 0.498 -9.060 -5.613 297 HA ARG 35 HA ARG 35 -0.274 -11.363 -7.096 298 1HB ARG 35 2HB ARG 35 2.107 -9.679 -6.805 299 2HB ARG 35 1HB ARG 35 2.488 -11.371 -7.099 300 1HG ARG 35 2HG ARG 35 0.851 -11.221 -9.050 301 2HG ARG 35 1HG ARG 35 0.946 -9.472 -8.833 302 1HD ARG 35 2HD ARG 35 3.293 -9.472 -9.253 303 2HD ARG 35 1HD ARG 35 3.361 -11.233 -9.200 304 HE ARG 35 HE ARG 35 1.607 -10.272 -11.239 305 1HH1 ARG 35 1HH1 ARG 35 4.966 -10.897 -10.488 306 2HH1 ARG 35 2HH1 ARG 35 5.422 -11.103 -12.146 307 1HH2 ARG 35 1HH2 ARG 35 2.215 -10.544 -13.414 308 2HH2 ARG 35 2HH2 ARG 35 3.864 -10.903 -13.803 309 H ARG 36 H ARG 36 1.075 -10.848 -3.945 310 HA ARG 36 HA ARG 36 2.047 -13.542 -3.629 311 1HB ARG 36 2HB ARG 36 1.932 -11.084 -1.945 312 2HB ARG 36 1HB ARG 36 2.147 -12.631 -1.145 313 1HG ARG 36 2HG ARG 36 4.119 -13.050 -2.584 314 2HG ARG 36 1HG ARG 36 3.924 -11.429 -3.255 315 1HD ARG 36 2HD ARG 36 4.821 -10.449 -1.449 316 2HD ARG 36 1HD ARG 36 3.957 -11.503 -0.331 317 HE ARG 36 HE ARG 36 6.139 -12.779 -1.709 318 1HH1 ARG 36 1HH1 ARG 36 5.216 -10.912 1.103 319 2HH1 ARG 36 2HH1 ARG 36 6.566 -11.445 2.046 320 1HH2 ARG 36 1HH2 ARG 36 7.908 -13.472 -0.461 321 2HH2 ARG 36 2HH2 ARG 36 8.092 -12.895 1.161 322 H SER 37 H SER 37 -1.027 -12.523 -3.846 323 HA SER 37 HA SER 37 -3.035 -13.311 -3.130 324 1HB SER 37 2HB SER 37 -1.765 -15.504 -3.619 325 2HB SER 37 1HB SER 37 -1.591 -15.637 -1.870 326 HG SER 37 HG SER 37 -3.448 -16.696 -2.366 327 H LEU 38 H LEU 38 -1.513 -11.540 -1.454 328 HA LEU 38 HA LEU 38 -2.555 -12.290 1.207 329 1HB LEU 38 2HB LEU 38 0.015 -12.096 0.730 330 2HB LEU 38 1HB LEU 38 -0.296 -10.376 0.846 331 HG LEU 38 HG LEU 38 -1.340 -10.860 3.115 332 1HD1 LEU 38 1HD1 LEU 38 -1.706 -13.192 3.007 333 2HD1 LEU 38 2HD1 LEU 38 -0.413 -12.944 4.180 334 3HD1 LEU 38 3HD1 LEU 38 -0.030 -13.505 2.552 335 1HD2 LEU 38 1HD2 LEU 38 0.799 -9.788 2.942 336 2HD2 LEU 38 2HD2 LEU 38 1.594 -11.330 2.626 337 3HD2 LEU 38 3HD2 LEU 38 0.885 -11.012 4.208 338 H GLY 39 H GLY 39 -3.862 -10.822 -1.023 339 1HA GLY 39 2HA GLY 39 -3.916 -8.039 -0.362 340 2HA GLY 39 1HA GLY 39 -5.049 -8.888 -1.406 341 H HIS 40 H HIS 40 -5.178 -10.684 1.297 342 HA HIS 40 HA HIS 40 -7.572 -9.334 2.210 343 1HB HIS 40 2HB HIS 40 -7.808 -11.337 3.689 344 2HB HIS 40 1HB HIS 40 -7.686 -11.745 1.981 345 HD1 HIS 40 1HD HIS 40 -5.934 -13.404 1.362 346 HD2 HIS 40 2HD HIS 40 -5.291 -11.771 5.128 347 HE1 HIS 40 1HE HIS 40 -3.999 -14.686 2.329 348 HE2 HIS 40 2HE HIS 40 -3.627 -13.684 4.610 349 H ILE 41 H ILE 41 -4.292 -9.947 3.236 350 HA ILE 41 HA ILE 41 -4.497 -9.247 5.941 351 HB ILE 41 HB ILE 41 -2.526 -10.293 4.604 352 1HG1 ILE 41 2HG1 ILE 41 -0.925 -9.594 6.331 353 2HG1 ILE 41 1HG1 ILE 41 -2.004 -8.280 6.793 354 1HG2 ILE 41 1HG2 ILE 41 -2.378 -8.036 3.246 355 2HG2 ILE 41 2HG2 ILE 41 -0.949 -9.002 3.590 356 3HG2 ILE 41 3HG2 ILE 41 -1.312 -7.587 4.575 357 1HD1 ILE 41 1HD1 ILE 41 -3.535 -9.713 7.749 358 2HD1 ILE 41 2HD1 ILE 41 -2.000 -10.490 8.136 359 3HD1 ILE 41 3HD1 ILE 41 -2.983 -11.096 6.804 360 H ILE 42 H ILE 42 -4.229 -7.363 3.029 361 HA ILE 42 HA ILE 42 -3.801 -4.845 4.359 362 HB ILE 42 HB ILE 42 -4.259 -3.891 2.050 363 1HG1 ILE 42 2HG1 ILE 42 -4.147 -6.799 1.237 364 2HG1 ILE 42 1HG1 ILE 42 -5.582 -5.778 1.184 365 1HG2 ILE 42 1HG2 ILE 42 -2.046 -5.901 2.311 366 2HG2 ILE 42 2HG2 ILE 42 -2.019 -4.238 2.897 367 3HG2 ILE 42 3HG2 ILE 42 -2.102 -4.562 1.165 368 1HD1 ILE 42 1HD1 ILE 42 -3.229 -5.858 -0.593 369 2HD1 ILE 42 2HD1 ILE 42 -3.949 -4.278 -0.282 370 3HD1 ILE 42 3HD1 ILE 42 -4.930 -5.575 -0.964 371 H SER 43 H SER 43 -5.299 -3.024 4.131 372 HA SER 43 HA SER 43 -7.988 -3.843 4.769 373 1HB SER 43 2HB SER 43 -6.913 -1.993 6.000 374 2HB SER 43 1HB SER 43 -6.809 -1.063 4.506 375 HG SER 43 HG SER 43 -8.714 -0.374 5.042 376 H VAL 44 H VAL 44 -7.914 -4.810 2.442 377 HA VAL 44 HA VAL 44 -9.104 -2.844 0.600 378 HB VAL 44 HB VAL 44 -7.555 -5.313 -0.189 379 1HG1 VAL 44 1HG1 VAL 44 -7.550 -4.253 -2.418 380 2HG1 VAL 44 2HG1 VAL 44 -8.612 -2.992 -1.792 381 3HG1 VAL 44 3HG1 VAL 44 -9.169 -4.665 -1.854 382 1HG2 VAL 44 1HG2 VAL 44 -5.996 -3.833 0.808 383 2HG2 VAL 44 2HG2 VAL 44 -6.698 -2.439 -0.009 384 3HG2 VAL 44 3HG2 VAL 44 -5.827 -3.658 -0.938 385 H SER 45 H SER 45 -11.072 -3.314 -0.209 386 HA SER 45 HA SER 45 -12.272 -5.865 0.596 387 1HB SER 45 2HB SER 45 -13.517 -3.901 1.293 388 2HB SER 45 1HB SER 45 -13.536 -3.285 -0.359 389 HG SER 45 HG SER 45 -15.403 -4.294 -0.352 390 H SER 46 H SER 46 -11.407 -7.197 -0.995 391 HA SER 46 HA SER 46 -12.118 -6.578 -3.775 392 1HB SER 46 2HB SER 46 -10.549 -8.485 -4.310 393 2HB SER 46 1HB SER 46 -9.789 -7.093 -3.537 394 HG SER 46 HG SER 46 -9.505 -9.471 -2.743
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