NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26444 | 2kk7 | 16354 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.945 0.955 -1.722 3 HB2 MET 1 1HB MET 1 4.092 -0.421 -1.872 4 HB3 MET 1 2HB MET 1 3.978 0.739 -0.556 5 HG2 MET 1 1HG MET 1 2.973 -1.869 0.202 6 HG3 MET 1 2HG MET 1 4.644 -1.931 -0.353 7 HE1 MET 1 3HE MET 1 4.258 -3.010 1.971 8 HE2 MET 1 1HE MET 1 5.469 -2.289 3.031 9 HE3 MET 1 2HE MET 1 3.754 -2.115 3.405 10 H ALA 2 H ALA 2 -0.207 -1.058 -1.339 11 HA ALA 2 HA ALA 2 0.145 -2.413 -3.863 12 HB1 ALA 2 1HB ALA 2 -0.337 -4.102 -1.416 13 HB2 ALA 2 2HB ALA 2 -0.116 -4.653 -3.077 14 HB3 ALA 2 3HB ALA 2 1.233 -3.929 -2.201 15 H VAL 3 H VAL 3 -1.654 -0.479 -2.385 16 HA VAL 3 HA VAL 3 -4.193 -1.838 -2.214 17 HB VAL 3 HB VAL 3 -3.631 1.130 -2.167 18 HG11 VAL 3 1HG1 VAL 3 -6.043 -0.504 -1.400 19 HG12 VAL 3 2HG1 VAL 3 -5.818 1.185 -0.942 20 HG13 VAL 3 3HG1 VAL 3 -5.934 0.740 -2.645 21 HG21 VAL 3 3HG2 VAL 3 -3.017 -0.896 -0.253 22 HG22 VAL 3 1HG2 VAL 3 -2.763 0.846 -0.144 23 HG23 VAL 3 2HG2 VAL 3 -4.286 0.141 0.397 24 H LYS 4 H LYS 4 -2.443 0.053 -4.562 25 HA LYS 4 HA LYS 4 -4.451 0.909 -6.251 26 HB2 LYS 4 1HB LYS 4 -1.648 0.698 -6.353 27 HB3 LYS 4 2HB LYS 4 -2.239 -0.118 -7.795 28 HG2 LYS 4 1HG LYS 4 -1.829 2.165 -8.340 29 HG3 LYS 4 2HG LYS 4 -3.576 1.910 -8.322 30 HD2 LYS 4 1HD LYS 4 -3.399 3.881 -7.144 31 HD3 LYS 4 2HD LYS 4 -3.364 2.698 -5.835 32 HE2 LYS 4 1HE LYS 4 -1.214 3.143 -5.319 33 HE3 LYS 4 2HE LYS 4 -0.747 3.362 -7.004 34 HZ1 LYS 4 3HZ LYS 4 -0.533 5.457 -6.017 35 HZ2 LYS 4 1HZ LYS 4 -2.002 5.330 -5.186 36 HZ3 LYS 4 2HZ LYS 4 -1.995 5.541 -6.864 37 H LEU 5 H LEU 5 -2.537 -2.049 -6.824 38 HA LEU 5 HA LEU 5 -4.295 -3.116 -8.733 39 HB2 LEU 5 1HB LEU 5 -2.103 -4.232 -7.043 40 HB3 LEU 5 2HB LEU 5 -3.125 -5.330 -7.969 41 HG LEU 5 HG LEU 5 -2.148 -3.191 -9.640 42 HD11 LEU 5 1HD1 LEU 5 -0.310 -3.252 -7.931 43 HD12 LEU 5 2HD1 LEU 5 0.187 -3.610 -9.585 44 HD13 LEU 5 3HD1 LEU 5 -0.008 -4.920 -8.421 45 HD21 LEU 5 3HD2 LEU 5 -1.304 -5.139 -10.942 46 HD22 LEU 5 1HD2 LEU 5 -3.019 -5.235 -10.537 47 HD23 LEU 5 2HD2 LEU 5 -1.845 -6.190 -9.632 48 H MET 6 H MET 6 -3.685 -4.634 -5.575 49 HA MET 6 HA MET 6 -6.220 -5.934 -5.575 50 HB2 MET 6 1HB MET 6 -4.255 -5.560 -3.308 51 HB3 MET 6 2HB MET 6 -5.598 -6.695 -3.327 52 HG2 MET 6 1HG MET 6 -4.345 -7.465 -5.561 53 HG3 MET 6 2HG MET 6 -2.970 -6.838 -4.655 54 HE1 MET 6 3HE MET 6 -2.575 -9.276 -5.527 55 HE2 MET 6 1HE MET 6 -1.713 -9.604 -4.023 56 HE3 MET 6 2HE MET 6 -2.954 -10.722 -4.589 57 H GLY 7 H GLY 7 -7.646 -4.109 -5.843 58 HA2 GLY 7 1HA GLY 7 -8.908 -3.296 -3.495 59 HA3 GLY 7 2HA GLY 7 -7.819 -2.000 -3.966 60 H VAL 8 H VAL 8 -9.766 -4.178 -5.982 61 HA VAL 8 HA VAL 8 -10.579 -2.172 -7.761 62 HB VAL 8 HB VAL 8 -10.646 -4.563 -8.324 63 HG11 VAL 8 1HG1 VAL 8 -11.677 -5.075 -5.968 64 HG12 VAL 8 2HG1 VAL 8 -13.205 -4.890 -6.831 65 HG13 VAL 8 3HG1 VAL 8 -12.038 -6.107 -7.351 66 HG21 VAL 8 3HG2 VAL 8 -12.250 -4.233 -9.865 67 HG22 VAL 8 1HG2 VAL 8 -13.482 -3.885 -8.652 68 HG23 VAL 8 2HG2 VAL 8 -12.358 -2.622 -9.155 69 H ASP 9 H ASP 9 -11.982 -3.330 -4.770 70 HA ASP 9 HA ASP 9 -14.524 -2.108 -5.077 71 HB2 ASP 9 1HB ASP 9 -12.994 -3.309 -2.815 72 HB3 ASP 9 2HB ASP 9 -14.375 -2.284 -2.431 73 H LYS 10 H LYS 10 -11.418 -0.969 -4.013 74 HA LYS 10 HA LYS 10 -12.405 1.409 -2.745 75 HB2 LYS 10 1HB LYS 10 -9.722 0.306 -3.439 76 HB3 LYS 10 2HB LYS 10 -9.852 2.031 -3.123 77 HG2 LYS 10 1HG LYS 10 -10.839 -0.077 -1.219 78 HG3 LYS 10 2HG LYS 10 -9.217 0.618 -1.155 79 HD2 LYS 10 1HD LYS 10 -10.153 2.833 -0.818 80 HD3 LYS 10 2HD LYS 10 -11.789 2.188 -0.969 81 HE2 LYS 10 1HE LYS 10 -11.594 0.973 1.053 82 HE3 LYS 10 2HE LYS 10 -9.851 1.231 1.124 83 HZ1 LYS 10 3HZ LYS 10 -10.481 2.840 2.552 84 HZ2 LYS 10 1HZ LYS 10 -12.024 3.014 1.878 85 HZ3 LYS 10 2HZ LYS 10 -10.689 3.739 1.133 86 H ILE 11 H ILE 11 -10.710 0.743 -5.806 87 HA ILE 11 HA ILE 11 -10.839 3.399 -6.765 88 HB ILE 11 HB ILE 11 -10.342 2.411 -8.988 89 HG12 ILE 11 1HG1 ILE 11 -9.713 -0.169 -8.665 90 HG13 ILE 11 2HG1 ILE 11 -11.031 -0.075 -7.502 91 HG21 ILE 11 1HG2 ILE 11 -8.756 1.884 -6.544 92 HG22 ILE 11 2HG2 ILE 11 -8.223 1.107 -8.034 93 HG23 ILE 11 3HG2 ILE 11 -8.369 2.862 -7.959 94 HD11 ILE 11 3HD1 ILE 11 -11.200 -0.434 -10.270 95 HD12 ILE 11 1HD1 ILE 11 -12.521 -0.200 -9.126 96 HD13 ILE 11 2HD1 ILE 11 -11.808 1.190 -9.946 97 H LYS 12 H LYS 12 -12.961 0.608 -7.126 98 HA LYS 12 HA LYS 12 -14.682 1.802 -9.054 99 HB2 LYS 12 1HB LYS 12 -14.648 -0.582 -8.907 100 HB3 LYS 12 2HB LYS 12 -15.017 -0.545 -7.188 101 HG2 LYS 12 1HG LYS 12 -16.996 0.716 -8.977 102 HG3 LYS 12 2HG LYS 12 -16.842 -1.040 -9.078 103 HD2 LYS 12 1HD LYS 12 -16.971 0.122 -6.361 104 HD3 LYS 12 2HD LYS 12 -18.450 0.200 -7.322 105 HE2 LYS 12 1HE LYS 12 -16.856 -2.313 -6.838 106 HE3 LYS 12 2HE LYS 12 -18.272 -1.835 -5.903 107 HZ1 LYS 12 3HZ LYS 12 -18.211 -2.404 -8.817 108 HZ2 LYS 12 1HZ LYS 12 -19.571 -1.880 -7.959 109 HZ3 LYS 12 2HZ LYS 12 -18.888 -3.390 -7.621 110 H SER 13 H SER 13 -14.471 1.901 -5.591 111 HA SER 13 HA SER 13 -17.125 3.063 -5.310 112 HB2 SER 13 1HB SER 13 -16.474 1.510 -3.583 113 HB3 SER 13 2HB SER 13 -14.979 2.396 -3.284 114 HG SER 13 HG SER 13 -17.232 2.741 -2.057 115 H LYS 14 H LYS 14 -13.816 4.039 -5.524 116 HA LYS 14 HA LYS 14 -13.954 6.550 -4.276 117 HB2 LYS 14 1HB LYS 14 -11.935 5.152 -5.282 118 HB3 LYS 14 2HB LYS 14 -12.227 6.179 -6.680 119 HG2 LYS 14 1HG LYS 14 -11.527 7.060 -3.891 120 HG3 LYS 14 2HG LYS 14 -10.525 7.181 -5.339 121 HD2 LYS 14 1HD LYS 14 -13.154 8.600 -4.902 122 HD3 LYS 14 2HD LYS 14 -11.555 9.333 -4.745 123 HE2 LYS 14 1HE LYS 14 -11.793 7.996 -7.277 124 HE3 LYS 14 2HE LYS 14 -13.132 9.121 -7.058 125 HZ1 LYS 14 3HZ LYS 14 -11.738 10.914 -6.992 126 HZ2 LYS 14 1HZ LYS 14 -10.879 9.920 -8.058 127 HZ3 LYS 14 2HZ LYS 14 -10.411 10.025 -6.437 128 H ILE 15 H ILE 15 -13.834 5.979 -7.796 129 HA ILE 15 HA ILE 15 -14.703 8.528 -8.528 130 HB ILE 15 HB ILE 15 -15.192 6.015 -10.124 131 HG12 ILE 15 1HG1 ILE 15 -12.831 7.347 -10.968 132 HG13 ILE 15 2HG1 ILE 15 -12.711 7.133 -9.225 133 HG21 ILE 15 1HG2 ILE 15 -15.325 7.372 -12.003 134 HG22 ILE 15 2HG2 ILE 15 -16.174 8.311 -10.776 135 HG23 ILE 15 3HG2 ILE 15 -14.514 8.722 -11.208 136 HD11 ILE 15 3HD1 ILE 15 -12.568 5.168 -11.379 137 HD12 ILE 15 1HD1 ILE 15 -11.895 5.125 -9.749 138 HD13 ILE 15 2HD1 ILE 15 -13.581 4.684 -10.019 139 H LEU 16 H LEU 16 -16.532 5.565 -7.922 140 HA LEU 16 HA LEU 16 -19.040 6.475 -8.787 141 HB2 LEU 16 1HB LEU 16 -18.082 4.335 -6.957 142 HB3 LEU 16 2HB LEU 16 -19.794 4.751 -6.930 143 HG LEU 16 HG LEU 16 -18.241 3.782 -9.329 144 HD11 LEU 16 1HD1 LEU 16 -20.518 2.301 -8.134 145 HD12 LEU 16 2HD1 LEU 16 -18.960 2.229 -7.312 146 HD13 LEU 16 3HD1 LEU 16 -19.096 1.701 -8.989 147 HD21 LEU 16 3HD2 LEU 16 -19.906 4.501 -10.605 148 HD22 LEU 16 1HD2 LEU 16 -20.607 5.304 -9.200 149 HD23 LEU 16 2HD2 LEU 16 -21.084 3.654 -9.601 150 H ASP 17 H ASP 17 -17.812 6.239 -5.443 151 HA ASP 17 HA ASP 17 -19.937 7.661 -4.274 152 HB2 ASP 17 1HB ASP 17 -17.098 7.241 -3.320 153 HB3 ASP 17 2HB ASP 17 -18.384 7.928 -2.330 154 H ASP 18 H ASP 18 -16.849 8.708 -5.599 155 HA ASP 18 HA ASP 18 -16.930 11.369 -4.669 156 HB2 ASP 18 1HB ASP 18 -14.844 10.553 -5.456 157 HB3 ASP 18 2HB ASP 18 -15.533 10.065 -7.002 158 H ALA 19 H ALA 19 -17.705 10.072 -7.903 159 HA ALA 19 HA ALA 19 -18.687 12.429 -9.008 160 HB1 ALA 19 1HB ALA 19 -18.305 10.750 -10.549 161 HB2 ALA 19 2HB ALA 19 -19.158 9.536 -9.595 162 HB3 ALA 19 3HB ALA 19 -20.066 10.778 -10.458 163 H LYS 20 H LYS 20 -20.505 9.797 -7.437 164 HA LYS 20 HA LYS 20 -23.042 10.949 -7.646 165 HB2 LYS 20 1HB LYS 20 -21.796 8.828 -5.998 166 HB3 LYS 20 2HB LYS 20 -23.279 9.526 -5.360 167 HG2 LYS 20 1HG LYS 20 -24.384 8.105 -6.652 168 HG3 LYS 20 2HG LYS 20 -23.839 9.055 -8.037 169 HD2 LYS 20 1HD LYS 20 -21.987 7.011 -6.924 170 HD3 LYS 20 2HD LYS 20 -23.376 6.452 -7.858 171 HE2 LYS 20 1HE LYS 20 -21.963 8.680 -9.103 172 HE3 LYS 20 2HE LYS 20 -20.956 7.250 -8.888 173 HZ1 LYS 20 3HZ LYS 20 -23.061 7.705 -10.748 174 HZ2 LYS 20 1HZ LYS 20 -23.346 6.303 -9.844 175 HZ3 LYS 20 2HZ LYS 20 -21.907 6.468 -10.717 176 H ALA 21 H ALA 21 -20.531 11.326 -5.199 177 HA ALA 21 HA ALA 21 -22.063 12.788 -3.335 178 HB1 ALA 21 1HB ALA 21 -19.969 11.739 -2.711 179 HB2 ALA 21 2HB ALA 21 -19.085 12.801 -3.808 180 HB3 ALA 21 3HB ALA 21 -19.898 13.473 -2.394 181 H GLU 22 H GLU 22 -20.073 13.775 -6.084 182 HA GLU 22 HA GLU 22 -20.115 16.539 -5.632 183 HB2 GLU 22 1HB GLU 22 -18.994 14.889 -7.510 184 HB3 GLU 22 2HB GLU 22 -20.217 15.729 -8.453 185 HG2 GLU 22 1HG GLU 22 -19.284 17.862 -7.861 186 HG3 GLU 22 2HG GLU 22 -18.135 17.096 -6.765 187 H ALA 23 H ALA 23 -22.360 14.434 -7.372 188 HA ALA 23 HA ALA 23 -24.054 16.622 -8.174 189 HB1 ALA 23 1HB ALA 23 -25.389 14.106 -8.364 190 HB2 ALA 23 2HB ALA 23 -24.781 15.141 -9.656 191 HB3 ALA 23 3HB ALA 23 -23.729 13.926 -8.931 192 H ASN 24 H ASN 24 -23.759 14.568 -5.435 193 HA ASN 24 HA ASN 24 -26.485 14.934 -4.542 194 HB2 ASN 24 1HB ASN 24 -24.060 13.561 -3.421 195 HB3 ASN 24 2HB ASN 24 -25.464 13.859 -2.401 196 HD21 ASN 24 2HD2 ASN 24 -24.387 11.327 -3.178 197 HD22 ASN 24 1HD2 ASN 24 -25.620 10.500 -4.063 198 H LYS 25 H LYS 25 -23.401 16.454 -4.115 199 HA LYS 25 HA LYS 25 -24.296 17.990 -1.809 200 HB2 LYS 25 1HB LYS 25 -21.805 17.111 -2.697 201 HB3 LYS 25 2HB LYS 25 -21.782 18.845 -2.993 202 HG2 LYS 25 1HG LYS 25 -20.875 18.426 -0.824 203 HG3 LYS 25 2HG LYS 25 -22.448 19.203 -0.630 204 HD2 LYS 25 1HD LYS 25 -23.288 17.444 0.464 205 HD3 LYS 25 2HD LYS 25 -22.638 16.302 -0.715 206 HE2 LYS 25 1HE LYS 25 -20.649 17.554 1.054 207 HE3 LYS 25 2HE LYS 25 -21.806 16.494 1.858 208 HZ1 LYS 25 3HZ LYS 25 -19.665 15.472 0.957 209 HZ2 LYS 25 1HZ LYS 25 -20.375 15.620 -0.572 210 HZ3 LYS 25 2HZ LYS 25 -21.117 14.674 0.617 211 H ILE 26 H ILE 26 -24.146 18.262 -5.223 212 HA ILE 26 HA ILE 26 -24.226 21.159 -5.246 213 HB ILE 26 HB ILE 26 -23.152 19.670 -7.048 214 HG12 ILE 26 1HG1 ILE 26 -23.826 21.283 -8.848 215 HG13 ILE 26 2HG1 ILE 26 -25.053 21.915 -7.755 216 HG21 ILE 26 1HG2 ILE 26 -24.444 18.622 -8.628 217 HG22 ILE 26 2HG2 ILE 26 -25.432 18.382 -7.189 218 HG23 ILE 26 3HG2 ILE 26 -25.839 19.660 -8.335 219 HD11 ILE 26 3HD1 ILE 26 -22.332 22.645 -7.972 220 HD12 ILE 26 1HD1 ILE 26 -23.562 23.288 -6.884 221 HD13 ILE 26 2HD1 ILE 26 -22.572 21.915 -6.385 222 H ILE 27 H ILE 27 -26.444 18.493 -5.317 223 HA ILE 27 HA ILE 27 -28.676 20.021 -6.299 224 HB ILE 27 HB ILE 27 -30.024 18.033 -5.626 225 HG12 ILE 27 1HG1 ILE 27 -27.947 16.146 -5.246 226 HG13 ILE 27 2HG1 ILE 27 -27.645 17.466 -4.120 227 HG21 ILE 27 1HG2 ILE 27 -29.409 17.893 -7.828 228 HG22 ILE 27 2HG2 ILE 27 -27.685 17.885 -7.460 229 HG23 ILE 27 3HG2 ILE 27 -28.649 16.433 -7.194 230 HD11 ILE 27 3HD1 ILE 27 -30.111 15.766 -4.339 231 HD12 ILE 27 1HD1 ILE 27 -28.968 15.855 -2.999 232 HD13 ILE 27 2HD1 ILE 27 -30.016 17.228 -3.358 233 H SER 28 H SER 28 -27.357 19.144 -3.180 234 HA SER 28 HA SER 28 -29.676 20.106 -1.737 235 HB2 SER 28 1HB SER 28 -26.972 19.147 -0.773 236 HB3 SER 28 2HB SER 28 -28.313 19.589 0.284 237 HG SER 28 HG SER 28 -29.122 17.690 -0.051 238 H GLU 29 H GLU 29 -26.256 21.053 -2.045 239 HA GLU 29 HA GLU 29 -26.398 23.385 -0.511 240 HB2 GLU 29 1HB GLU 29 -24.596 22.626 -2.809 241 HB3 GLU 29 2HB GLU 29 -24.384 24.099 -1.873 242 HG2 GLU 29 1HG GLU 29 -24.611 21.708 -0.225 243 HG3 GLU 29 2HG GLU 29 -23.240 21.673 -1.332 244 H ALA 30 H ALA 30 -27.567 22.708 -3.671 245 HA ALA 30 HA ALA 30 -27.711 25.480 -4.491 246 HB1 ALA 30 1HB ALA 30 -28.730 22.941 -5.752 247 HB2 ALA 30 2HB ALA 30 -28.925 24.544 -6.463 248 HB3 ALA 30 3HB ALA 30 -27.310 23.879 -6.217 249 H GLU 31 H GLU 31 -30.233 22.966 -4.254 250 HA GLU 31 HA GLU 31 -32.422 24.635 -4.219 251 HB2 GLU 31 1HB GLU 31 -33.685 22.813 -3.386 252 HB3 GLU 31 2HB GLU 31 -32.396 22.105 -4.350 253 HG2 GLU 31 1HG GLU 31 -31.122 21.746 -2.231 254 HG3 GLU 31 2HG GLU 31 -32.560 22.261 -1.352 255 H ALA 32 H ALA 32 -30.222 23.857 -1.624 256 HA ALA 32 HA ALA 32 -31.821 24.831 0.512 257 HB1 ALA 32 1HB ALA 32 -28.881 24.291 0.222 258 HB2 ALA 32 2HB ALA 32 -29.572 24.950 1.706 259 HB3 ALA 32 3HB ALA 32 -30.090 23.369 1.118 260 H GLU 33 H GLU 33 -28.781 26.253 -0.690 261 HA GLU 33 HA GLU 33 -29.119 28.759 0.427 262 HB2 GLU 33 1HB GLU 33 -27.568 27.742 -1.919 263 HB3 GLU 33 2HB GLU 33 -27.656 29.476 -1.642 264 HG2 GLU 33 1HG GLU 33 -26.763 29.135 0.625 265 HG3 GLU 33 2HG GLU 33 -26.615 27.412 0.285 266 H LYS 34 H LYS 34 -30.168 27.584 -2.741 267 HA LYS 34 HA LYS 34 -31.093 29.983 -3.811 268 HB2 LYS 34 1HB LYS 34 -30.936 28.075 -5.231 269 HB3 LYS 34 2HB LYS 34 -32.013 27.137 -4.205 270 HG2 LYS 34 1HG LYS 34 -33.851 28.692 -4.803 271 HG3 LYS 34 2HG LYS 34 -32.753 29.489 -5.932 272 HD2 LYS 34 1HD LYS 34 -33.389 28.002 -7.464 273 HD3 LYS 34 2HD LYS 34 -32.549 26.769 -6.520 274 HE2 LYS 34 1HE LYS 34 -34.609 26.380 -5.235 275 HE3 LYS 34 2HE LYS 34 -35.439 27.585 -6.219 276 HZ1 LYS 34 3HZ LYS 34 -34.823 26.161 -8.181 277 HZ2 LYS 34 1HZ LYS 34 -35.974 25.500 -7.131 278 HZ3 LYS 34 2HZ LYS 34 -34.372 24.960 -7.079 279 H ALA 35 H ALA 35 -33.102 27.460 -2.279 280 HA ALA 35 HA ALA 35 -35.433 28.986 -2.105 281 HB1 ALA 35 1HB ALA 35 -35.430 26.569 -1.844 282 HB2 ALA 35 2HB ALA 35 -34.539 26.719 -0.329 283 HB3 ALA 35 3HB ALA 35 -36.184 27.342 -0.450 284 H LYS 36 H LYS 36 -32.536 29.210 -0.324 285 HA LYS 36 HA LYS 36 -33.715 30.397 2.031 286 HB2 LYS 36 1HB LYS 36 -31.014 29.599 1.149 287 HB3 LYS 36 2HB LYS 36 -31.069 31.003 2.206 288 HG2 LYS 36 1HG LYS 36 -32.647 29.432 3.625 289 HG3 LYS 36 2HG LYS 36 -31.758 28.171 2.768 290 HD2 LYS 36 1HD LYS 36 -30.614 28.598 4.821 291 HD3 LYS 36 2HD LYS 36 -29.639 29.276 3.515 292 HE2 LYS 36 1HE LYS 36 -31.288 31.365 4.217 293 HE3 LYS 36 2HE LYS 36 -30.942 30.596 5.765 294 HZ1 LYS 36 3HZ LYS 36 -29.218 32.091 5.519 295 HZ2 LYS 36 1HZ LYS 36 -29.068 31.830 3.854 296 HZ3 LYS 36 2HZ LYS 36 -28.521 30.660 4.946 297 H ILE 37 H ILE 37 -31.626 31.543 -0.619 298 HA ILE 37 HA ILE 37 -31.845 34.284 0.157 299 HB ILE 37 HB ILE 37 -30.804 34.748 -2.069 300 HG12 ILE 37 1HG1 ILE 37 -30.160 31.912 -2.505 301 HG13 ILE 37 2HG1 ILE 37 -31.848 32.321 -2.792 302 HG21 ILE 37 1HG2 ILE 37 -29.094 34.616 -0.619 303 HG22 ILE 37 2HG2 ILE 37 -29.674 33.107 0.084 304 HG23 ILE 37 3HG2 ILE 37 -28.761 33.083 -1.424 305 HD11 ILE 37 3HD1 ILE 37 -29.468 33.637 -4.079 306 HD12 ILE 37 1HD1 ILE 37 -30.546 32.463 -4.833 307 HD13 ILE 37 2HD1 ILE 37 -31.157 34.051 -4.367 308 H LEU 38 H LEU 38 -33.625 32.162 -1.952 309 HA LEU 38 HA LEU 38 -34.947 34.134 -3.488 310 HB2 LEU 38 1HB LEU 38 -35.274 31.249 -2.955 311 HB3 LEU 38 2HB LEU 38 -36.714 32.106 -3.503 312 HG LEU 38 HG LEU 38 -35.508 31.019 -5.345 313 HD11 LEU 38 1HD1 LEU 38 -36.821 33.106 -5.676 314 HD12 LEU 38 2HD1 LEU 38 -35.527 32.877 -6.852 315 HD13 LEU 38 3HD1 LEU 38 -35.320 34.020 -5.525 316 HD21 LEU 38 3HD2 LEU 38 -33.333 32.236 -6.026 317 HD22 LEU 38 1HD2 LEU 38 -33.261 31.004 -4.765 318 HD23 LEU 38 2HD2 LEU 38 -33.258 32.713 -4.329 319 H GLU 39 H GLU 39 -35.666 32.604 -0.400 320 HA GLU 39 HA GLU 39 -38.199 34.023 -0.187 321 HB2 GLU 39 1HB GLU 39 -38.668 32.681 1.678 322 HB3 GLU 39 2HB GLU 39 -37.801 31.612 0.585 323 HG2 GLU 39 1HG GLU 39 -36.708 31.113 2.498 324 HG3 GLU 39 2HG GLU 39 -35.725 32.481 1.980 325 H LYS 40 H LYS 40 -34.937 34.171 1.028 326 HA LYS 40 HA LYS 40 -35.501 36.023 3.141 327 HB2 LYS 40 1HB LYS 40 -32.987 35.006 1.847 328 HB3 LYS 40 2HB LYS 40 -32.930 36.337 2.996 329 HG2 LYS 40 1HG LYS 40 -34.116 33.635 3.590 330 HG3 LYS 40 2HG LYS 40 -32.467 34.116 3.994 331 HD2 LYS 40 1HD LYS 40 -33.371 35.966 5.354 332 HD3 LYS 40 2HD LYS 40 -35.006 35.408 4.992 333 HE2 LYS 40 1HE LYS 40 -34.114 33.136 5.932 334 HE3 LYS 40 2HE LYS 40 -32.904 34.159 6.705 335 HZ1 LYS 40 3HZ LYS 40 -34.871 35.498 7.542 336 HZ2 LYS 40 1HZ LYS 40 -34.627 33.979 8.248 337 HZ3 LYS 40 2HZ LYS 40 -35.836 34.187 7.083 338 H ALA 41 H ALA 41 -34.096 36.292 -0.110 339 HA ALA 41 HA ALA 41 -33.726 39.106 0.005 340 HB1 ALA 41 1HB ALA 41 -32.590 37.429 -1.552 341 HB2 ALA 41 2HB ALA 41 -34.050 37.541 -2.535 342 HB3 ALA 41 3HB ALA 41 -33.074 38.980 -2.240 343 H LYS 42 H LYS 42 -36.171 37.087 -1.623 344 HA LYS 42 HA LYS 42 -37.721 39.122 -2.698 345 HB2 LYS 42 1HB LYS 42 -37.985 36.698 -3.188 346 HB3 LYS 42 2HB LYS 42 -38.721 36.486 -1.604 347 HG2 LYS 42 1HG LYS 42 -40.606 36.689 -2.839 348 HG3 LYS 42 2HG LYS 42 -40.318 38.400 -2.516 349 HD2 LYS 42 1HD LYS 42 -40.682 38.400 -4.798 350 HD3 LYS 42 2HD LYS 42 -38.922 38.301 -4.712 351 HE2 LYS 42 1HE LYS 42 -39.671 36.714 -6.334 352 HE3 LYS 42 2HE LYS 42 -39.126 35.822 -4.914 353 HZ1 LYS 42 3HZ LYS 42 -41.762 36.006 -6.074 354 HZ2 LYS 42 1HZ LYS 42 -41.737 36.179 -4.391 355 HZ3 LYS 42 2HZ LYS 42 -41.086 34.793 -5.108 356 H GLU 43 H GLU 43 -37.551 37.926 0.574 357 HA GLU 43 HA GLU 43 -39.938 39.307 1.428 358 HB2 GLU 43 1HB GLU 43 -37.844 37.649 2.779 359 HB3 GLU 43 2HB GLU 43 -38.901 38.662 3.750 360 HG2 GLU 43 1HG GLU 43 -39.958 36.685 1.757 361 HG3 GLU 43 2HG GLU 43 -39.597 36.252 3.427 362 H GLU 44 H GLU 44 -36.528 39.556 2.453 363 HA GLU 44 HA GLU 44 -36.711 41.941 3.825 364 HB2 GLU 44 1HB GLU 44 -34.319 42.164 3.538 365 HB3 GLU 44 2HB GLU 44 -34.718 40.472 3.799 366 HG2 GLU 44 1HG GLU 44 -34.725 40.351 1.203 367 HG3 GLU 44 2HG GLU 44 -33.779 41.834 1.319 368 H ALA 45 H ALA 45 -36.290 41.413 0.366 369 HA ALA 45 HA ALA 45 -35.850 44.146 -0.296 370 HB1 ALA 45 1HB ALA 45 -35.136 42.313 -1.753 371 HB2 ALA 45 2HB ALA 45 -36.823 41.894 -2.051 372 HB3 ALA 45 3HB ALA 45 -36.189 43.444 -2.602 373 H GLU 46 H GLU 46 -38.709 42.076 -0.166 374 HA GLU 46 HA GLU 46 -40.498 43.945 -1.322 375 HB2 GLU 46 1HB GLU 46 -40.744 41.396 0.185 376 HB3 GLU 46 2HB GLU 46 -42.159 42.438 0.142 377 HG2 GLU 46 1HG GLU 46 -40.866 42.013 -2.454 378 HG3 GLU 46 2HG GLU 46 -41.560 40.569 -1.719 379 H LYS 47 H LYS 47 -39.761 43.099 2.048 380 HA LYS 47 HA LYS 47 -41.550 45.024 3.155 381 HB2 LYS 47 1HB LYS 47 -40.372 44.527 5.289 382 HB3 LYS 47 2HB LYS 47 -40.947 43.087 4.458 383 HG2 LYS 47 1HG LYS 47 -38.887 42.319 4.884 384 HG3 LYS 47 2HG LYS 47 -38.442 43.266 3.462 385 HD2 LYS 47 1HD LYS 47 -36.895 44.036 4.968 386 HD3 LYS 47 2HD LYS 47 -38.197 45.196 5.238 387 HE2 LYS 47 1HE LYS 47 -38.411 44.550 7.354 388 HE3 LYS 47 2HE LYS 47 -38.584 42.863 6.872 389 HZ1 LYS 47 3HZ LYS 47 -35.929 43.354 6.562 390 HZ2 LYS 47 1HZ LYS 47 -36.638 42.564 7.879 391 HZ3 LYS 47 2HZ LYS 47 -36.310 44.221 7.963 392 H ARG 48 H ARG 48 -38.054 44.946 2.580 393 HA ARG 48 HA ARG 48 -37.855 47.742 3.426 394 HB2 ARG 48 1HB ARG 48 -36.223 45.694 4.011 395 HB3 ARG 48 2HB ARG 48 -35.453 46.245 2.529 396 HG2 ARG 48 1HG ARG 48 -36.111 48.347 4.482 397 HG3 ARG 48 2HG ARG 48 -34.867 47.196 4.972 398 HD2 ARG 48 1HD ARG 48 -34.536 48.104 2.230 399 HD3 ARG 48 2HD ARG 48 -34.501 49.431 3.390 400 HE ARG 48 HE ARG 48 -32.848 47.517 4.445 401 HH11 ARG 48 1HH1 ARG 48 -33.013 49.298 1.459 402 HH12 ARG 48 2HH1 ARG 48 -31.300 49.278 1.201 403 HH21 ARG 48 1HH2 ARG 48 -30.591 47.485 4.117 404 HH22 ARG 48 2HH2 ARG 48 -29.923 48.246 2.713 405 H LYS 49 H LYS 49 -38.687 48.890 1.723 406 HA LYS 49 HA LYS 49 -38.261 48.382 -0.993 407 HB2 LYS 49 1HB LYS 49 -39.083 50.782 0.587 408 HB3 LYS 49 2HB LYS 49 -38.686 50.985 -1.114 409 HG2 LYS 49 1HG LYS 49 -40.517 48.767 -0.529 410 HG3 LYS 49 2HG LYS 49 -41.146 50.377 -0.171 411 HD2 LYS 49 1HD LYS 49 -39.773 50.293 -2.724 412 HD3 LYS 49 2HD LYS 49 -41.097 49.128 -2.649 413 HE2 LYS 49 1HE LYS 49 -42.065 51.109 -3.460 414 HE3 LYS 49 2HE LYS 49 -42.519 51.038 -1.758 415 HZ1 LYS 49 3HZ LYS 49 -40.786 52.603 -1.236 416 HZ2 LYS 49 1HZ LYS 49 -41.768 53.252 -2.451 417 HZ3 LYS 49 2HZ LYS 49 -40.249 52.618 -2.839 418 H ALA 50 H ALA 50 -37.153 50.137 -2.433 419 HA ALA 50 HA ALA 50 -35.208 51.011 -3.228 420 HB1 ALA 50 1HB ALA 50 -34.258 52.619 -1.960 421 HB2 ALA 50 2HB ALA 50 -35.639 52.298 -0.910 422 HB3 ALA 50 3HB ALA 50 -34.075 51.561 -0.561 423 H GLU 51 H GLU 51 -34.228 49.223 -4.079 424 HA GLU 51 HA GLU 51 -32.251 47.886 -2.352 425 HB2 GLU 51 1HB GLU 51 -32.595 45.832 -3.673 426 HB3 GLU 51 2HB GLU 51 -34.056 46.334 -2.832 427 HG2 GLU 51 1HG GLU 51 -34.906 47.314 -4.909 428 HG3 GLU 51 2HG GLU 51 -33.450 46.779 -5.747 429 H ILE 52 H ILE 52 -33.071 49.028 -5.579 430 HA ILE 52 HA ILE 52 -31.805 49.561 -7.395 431 HB ILE 52 HB ILE 52 -29.589 49.945 -5.380 432 HG12 ILE 52 1HG1 ILE 52 -31.604 51.182 -4.719 433 HG13 ILE 52 2HG1 ILE 52 -30.340 52.281 -5.260 434 HG21 ILE 52 1HG2 ILE 52 -29.152 51.822 -7.218 435 HG22 ILE 52 2HG2 ILE 52 -28.487 50.195 -7.348 436 HG23 ILE 52 3HG2 ILE 52 -29.946 50.624 -8.240 437 HD11 ILE 52 3HD1 ILE 52 -32.528 52.946 -6.086 438 HD12 ILE 52 1HD1 ILE 52 -31.449 52.511 -7.411 439 HD13 ILE 52 2HD1 ILE 52 -32.704 51.387 -6.890 Start of MODEL 2 1 H1 MET 1 H MET 1 -0.364 -1.780 2.663 2 HA MET 1 HA MET 1 -1.304 -2.677 0.795 3 HB2 MET 1 1HB MET 1 -1.366 -5.152 2.529 4 HB3 MET 1 2HB MET 1 -1.587 -5.135 0.785 5 HG2 MET 1 1HG MET 1 0.648 -4.445 0.418 6 HG3 MET 1 2HG MET 1 0.892 -4.107 2.130 7 HE1 MET 1 3HE MET 1 2.083 -7.192 3.651 8 HE2 MET 1 1HE MET 1 1.770 -5.456 3.695 9 HE3 MET 1 2HE MET 1 0.455 -6.597 3.975 10 H ALA 2 H ALA 2 -3.055 -1.505 2.889 11 HA ALA 2 HA ALA 2 -5.451 -2.923 3.161 12 HB1 ALA 2 1HB ALA 2 -4.845 0.021 3.188 13 HB2 ALA 2 2HB ALA 2 -6.463 -0.618 3.481 14 HB3 ALA 2 3HB ALA 2 -5.135 -1.053 4.557 15 H VAL 3 H VAL 3 -4.129 -1.187 0.474 16 HA VAL 3 HA VAL 3 -6.637 -0.921 -0.927 17 HB VAL 3 HB VAL 3 -3.823 -0.574 -1.969 18 HG11 VAL 3 1HG1 VAL 3 -5.222 0.973 -3.570 19 HG12 VAL 3 2HG1 VAL 3 -5.060 -0.755 -3.891 20 HG13 VAL 3 3HG1 VAL 3 -6.527 -0.131 -3.136 21 HG21 VAL 3 3HG2 VAL 3 -3.869 1.135 -0.482 22 HG22 VAL 3 1HG2 VAL 3 -4.771 1.923 -1.777 23 HG23 VAL 3 2HG2 VAL 3 -5.631 1.185 -0.425 24 H LYS 4 H LYS 4 -3.999 -3.196 -0.789 25 HA LYS 4 HA LYS 4 -4.273 -4.565 -3.170 26 HB2 LYS 4 1HB LYS 4 -2.943 -4.968 -0.727 27 HB3 LYS 4 2HB LYS 4 -3.887 -6.427 -0.996 28 HG2 LYS 4 1HG LYS 4 -1.708 -6.734 -1.929 29 HG3 LYS 4 2HG LYS 4 -2.873 -6.611 -3.249 30 HD2 LYS 4 1HD LYS 4 -1.199 -5.228 -4.009 31 HD3 LYS 4 2HD LYS 4 -2.234 -4.070 -3.169 32 HE2 LYS 4 1HE LYS 4 -0.179 -3.497 -2.326 33 HE3 LYS 4 2HE LYS 4 -0.711 -4.669 -1.121 34 HZ1 LYS 4 3HZ LYS 4 1.604 -4.749 -2.634 35 HZ2 LYS 4 1HZ LYS 4 0.621 -5.986 -3.238 36 HZ3 LYS 4 2HZ LYS 4 1.017 -5.948 -1.594 37 H LEU 5 H LEU 5 -5.722 -5.663 -0.099 38 HA LEU 5 HA LEU 5 -7.470 -7.505 -1.287 39 HB2 LEU 5 1HB LEU 5 -6.995 -6.404 1.353 40 HB3 LEU 5 2HB LEU 5 -8.707 -6.707 1.065 41 HG LEU 5 HG LEU 5 -7.603 -8.586 2.189 42 HD11 LEU 5 1HD1 LEU 5 -8.748 -10.187 1.039 43 HD12 LEU 5 2HD1 LEU 5 -8.189 -9.620 -0.534 44 HD13 LEU 5 3HD1 LEU 5 -9.459 -8.743 0.319 45 HD21 LEU 5 3HD2 LEU 5 -5.914 -9.894 1.121 46 HD22 LEU 5 1HD2 LEU 5 -5.372 -8.215 1.126 47 HD23 LEU 5 2HD2 LEU 5 -6.019 -8.928 -0.352 48 H MET 6 H MET 6 -9.287 -7.242 -2.398 49 HA MET 6 HA MET 6 -11.122 -6.295 -3.349 50 HB2 MET 6 1HB MET 6 -11.311 -4.593 -0.867 51 HB3 MET 6 2HB MET 6 -12.618 -5.082 -1.937 52 HG2 MET 6 1HG MET 6 -11.489 -7.467 -1.070 53 HG3 MET 6 2HG MET 6 -11.505 -6.430 0.355 54 HE1 MET 6 3HE MET 6 -14.640 -8.994 0.333 55 HE2 MET 6 1HE MET 6 -12.952 -9.173 -0.147 56 HE3 MET 6 2HE MET 6 -13.353 -8.441 1.406 57 H GLY 7 H GLY 7 -8.549 -5.135 -3.902 58 HA2 GLY 7 1HA GLY 7 -8.410 -2.373 -3.814 59 HA3 GLY 7 2HA GLY 7 -7.716 -3.357 -5.094 60 H VAL 8 H VAL 8 -10.022 -4.398 -6.243 61 HA VAL 8 HA VAL 8 -10.772 -2.334 -7.985 62 HB VAL 8 HB VAL 8 -10.895 -4.690 -8.628 63 HG11 VAL 8 1HG1 VAL 8 -13.390 -4.979 -6.991 64 HG12 VAL 8 2HG1 VAL 8 -12.397 -6.234 -7.734 65 HG13 VAL 8 3HG1 VAL 8 -11.806 -5.362 -6.318 66 HG21 VAL 8 3HG2 VAL 8 -12.587 -2.720 -9.387 67 HG22 VAL 8 1HG2 VAL 8 -12.548 -4.326 -10.115 68 HG23 VAL 8 2HG2 VAL 8 -13.735 -3.953 -8.865 69 H ASP 9 H ASP 9 -12.246 -3.552 -5.046 70 HA ASP 9 HA ASP 9 -14.749 -2.262 -5.334 71 HB2 ASP 9 1HB ASP 9 -13.300 -3.691 -3.210 72 HB3 ASP 9 2HB ASP 9 -14.416 -2.460 -2.626 73 H LYS 10 H LYS 10 -11.629 -1.204 -4.219 74 HA LYS 10 HA LYS 10 -12.577 1.172 -2.921 75 HB2 LYS 10 1HB LYS 10 -10.300 -0.182 -2.679 76 HB3 LYS 10 2HB LYS 10 -9.773 0.958 -3.911 77 HG2 LYS 10 1HG LYS 10 -9.996 2.781 -2.510 78 HG3 LYS 10 2HG LYS 10 -11.128 1.949 -1.441 79 HD2 LYS 10 1HD LYS 10 -8.892 0.388 -1.236 80 HD3 LYS 10 2HD LYS 10 -8.200 2.002 -1.413 81 HE2 LYS 10 1HE LYS 10 -8.486 2.027 0.834 82 HE3 LYS 10 2HE LYS 10 -10.105 2.553 0.377 83 HZ1 LYS 10 3HZ LYS 10 -11.011 0.644 1.081 84 HZ2 LYS 10 1HZ LYS 10 -9.592 0.479 1.987 85 HZ3 LYS 10 2HZ LYS 10 -9.743 -0.314 0.501 86 H ILE 11 H ILE 11 -10.862 0.539 -5.979 87 HA ILE 11 HA ILE 11 -10.954 3.213 -6.890 88 HB ILE 11 HB ILE 11 -10.439 2.264 -9.125 89 HG12 ILE 11 1HG1 ILE 11 -9.859 -0.320 -8.889 90 HG13 ILE 11 2HG1 ILE 11 -11.147 -0.255 -7.691 91 HG21 ILE 11 1HG2 ILE 11 -8.900 1.803 -6.674 92 HG22 ILE 11 2HG2 ILE 11 -8.389 0.835 -8.056 93 HG23 ILE 11 3HG2 ILE 11 -8.431 2.594 -8.178 94 HD11 ILE 11 3HD1 ILE 11 -12.678 -0.321 -9.279 95 HD12 ILE 11 1HD1 ILE 11 -11.980 1.092 -10.070 96 HD13 ILE 11 2HD1 ILE 11 -11.388 -0.523 -10.464 97 H LYS 12 H LYS 12 -13.134 0.481 -7.243 98 HA LYS 12 HA LYS 12 -14.814 1.714 -9.195 99 HB2 LYS 12 1HB LYS 12 -14.819 -0.670 -9.082 100 HB3 LYS 12 2HB LYS 12 -15.191 -0.653 -7.363 101 HG2 LYS 12 1HG LYS 12 -17.192 0.730 -8.951 102 HG3 LYS 12 2HG LYS 12 -16.993 -0.960 -9.418 103 HD2 LYS 12 1HD LYS 12 -18.085 -1.641 -7.602 104 HD3 LYS 12 2HD LYS 12 -16.998 -0.725 -6.555 105 HE2 LYS 12 1HE LYS 12 -18.815 0.482 -6.048 106 HE3 LYS 12 2HE LYS 12 -18.562 1.247 -7.616 107 HZ1 LYS 12 3HZ LYS 12 -20.861 0.243 -7.020 108 HZ2 LYS 12 1HZ LYS 12 -20.143 -1.226 -7.457 109 HZ3 LYS 12 2HZ LYS 12 -20.237 0.036 -8.579 110 H SER 13 H SER 13 -14.630 1.755 -5.728 111 HA SER 13 HA SER 13 -17.265 2.964 -5.455 112 HB2 SER 13 1HB SER 13 -16.903 2.819 -3.069 113 HB3 SER 13 2HB SER 13 -16.429 1.285 -3.797 114 HG SER 13 HG SER 13 -14.236 2.444 -3.843 115 H LYS 14 H LYS 14 -13.940 3.879 -5.636 116 HA LYS 14 HA LYS 14 -14.034 6.367 -4.336 117 HB2 LYS 14 1HB LYS 14 -12.038 4.951 -5.360 118 HB3 LYS 14 2HB LYS 14 -12.305 6.007 -6.741 119 HG2 LYS 14 1HG LYS 14 -11.604 6.830 -3.933 120 HG3 LYS 14 2HG LYS 14 -10.588 6.950 -5.372 121 HD2 LYS 14 1HD LYS 14 -13.188 8.419 -4.930 122 HD3 LYS 14 2HD LYS 14 -11.575 9.115 -4.756 123 HE2 LYS 14 1HE LYS 14 -11.813 7.823 -7.306 124 HE3 LYS 14 2HE LYS 14 -13.149 8.951 -7.083 125 HZ1 LYS 14 3HZ LYS 14 -11.498 10.666 -6.513 126 HZ2 LYS 14 1HZ LYS 14 -11.306 10.080 -8.088 127 HZ3 LYS 14 2HZ LYS 14 -10.254 9.575 -6.864 128 H ILE 15 H ILE 15 -13.889 5.880 -7.866 129 HA ILE 15 HA ILE 15 -14.727 8.458 -8.537 130 HB ILE 15 HB ILE 15 -15.206 5.996 -10.212 131 HG12 ILE 15 1HG1 ILE 15 -12.826 7.338 -10.981 132 HG13 ILE 15 2HG1 ILE 15 -12.733 7.071 -9.244 133 HG21 ILE 15 1HG2 ILE 15 -16.236 8.175 -10.909 134 HG22 ILE 15 2HG2 ILE 15 -14.602 8.815 -11.077 135 HG23 ILE 15 3HG2 ILE 15 -15.127 7.465 -12.082 136 HD11 ILE 15 3HD1 ILE 15 -11.935 5.068 -9.797 137 HD12 ILE 15 1HD1 ILE 15 -13.613 4.653 -10.144 138 HD13 ILE 15 2HD1 ILE 15 -12.546 5.175 -11.448 139 H LEU 16 H LEU 16 -16.584 5.489 -8.055 140 HA LEU 16 HA LEU 16 -19.072 6.433 -8.931 141 HB2 LEU 16 1HB LEU 16 -18.434 4.057 -8.421 142 HB3 LEU 16 2HB LEU 16 -18.613 4.449 -6.713 143 HG LEU 16 HG LEU 16 -20.994 4.961 -7.108 144 HD11 LEU 16 1HD1 LEU 16 -20.191 4.960 -9.813 145 HD12 LEU 16 2HD1 LEU 16 -21.796 5.268 -9.149 146 HD13 LEU 16 3HD1 LEU 16 -21.330 3.629 -9.605 147 HD21 LEU 16 3HD2 LEU 16 -20.593 2.237 -8.230 148 HD22 LEU 16 1HD2 LEU 16 -21.654 2.781 -6.931 149 HD23 LEU 16 2HD2 LEU 16 -19.925 2.595 -6.637 150 H ASP 17 H ASP 17 -17.882 6.137 -5.579 151 HA ASP 17 HA ASP 17 -20.026 7.545 -4.415 152 HB2 ASP 17 1HB ASP 17 -18.275 6.017 -3.293 153 HB3 ASP 17 2HB ASP 17 -17.260 7.456 -3.231 154 H ASP 18 H ASP 18 -16.900 8.589 -5.653 155 HA ASP 18 HA ASP 18 -16.965 11.227 -4.669 156 HB2 ASP 18 1HB ASP 18 -14.897 10.294 -5.490 157 HB3 ASP 18 2HB ASP 18 -15.590 10.053 -7.091 158 H ALA 19 H ALA 19 -17.738 10.009 -7.932 159 HA ALA 19 HA ALA 19 -18.676 12.408 -8.991 160 HB1 ALA 19 1HB ALA 19 -18.161 10.413 -10.332 161 HB2 ALA 19 2HB ALA 19 -19.605 9.626 -9.693 162 HB3 ALA 19 3HB ALA 19 -19.758 11.068 -10.697 163 H LYS 20 H LYS 20 -20.442 9.831 -7.308 164 HA LYS 20 HA LYS 20 -23.005 10.987 -7.572 165 HB2 LYS 20 1HB LYS 20 -21.786 8.792 -6.030 166 HB3 LYS 20 2HB LYS 20 -23.203 9.519 -5.283 167 HG2 LYS 20 1HG LYS 20 -24.397 8.134 -6.544 168 HG3 LYS 20 2HG LYS 20 -23.981 9.184 -7.900 169 HD2 LYS 20 1HD LYS 20 -22.093 7.019 -7.082 170 HD3 LYS 20 2HD LYS 20 -23.524 6.611 -8.032 171 HE2 LYS 20 1HE LYS 20 -21.992 8.922 -9.009 172 HE3 LYS 20 2HE LYS 20 -21.140 7.380 -9.081 173 HZ1 LYS 20 3HZ LYS 20 -23.722 6.941 -10.017 174 HZ2 LYS 20 1HZ LYS 20 -22.280 6.910 -10.902 175 HZ3 LYS 20 2HZ LYS 20 -23.166 8.346 -10.778 176 H ALA 21 H ALA 21 -20.491 11.276 -5.115 177 HA ALA 21 HA ALA 21 -22.015 12.735 -3.234 178 HB1 ALA 21 1HB ALA 21 -19.795 13.396 -2.310 179 HB2 ALA 21 2HB ALA 21 -20.002 11.657 -2.526 180 HB3 ALA 21 3HB ALA 21 -19.040 12.580 -3.680 181 H GLU 22 H GLU 22 -19.944 13.722 -5.925 182 HA GLU 22 HA GLU 22 -19.922 16.476 -5.421 183 HB2 GLU 22 1HB GLU 22 -18.781 14.857 -7.288 184 HB3 GLU 22 2HB GLU 22 -19.998 15.675 -8.257 185 HG2 GLU 22 1HG GLU 22 -18.673 17.430 -8.432 186 HG3 GLU 22 2HG GLU 22 -18.722 17.641 -6.683 187 H ALA 23 H ALA 23 -22.197 14.467 -7.233 188 HA ALA 23 HA ALA 23 -23.815 16.715 -8.026 189 HB1 ALA 23 1HB ALA 23 -25.070 14.086 -8.194 190 HB2 ALA 23 2HB ALA 23 -24.775 15.286 -9.453 191 HB3 ALA 23 3HB ALA 23 -23.495 14.168 -8.983 192 H ASN 24 H ASN 24 -23.632 14.596 -5.321 193 HA ASN 24 HA ASN 24 -26.356 15.042 -4.461 194 HB2 ASN 24 1HB ASN 24 -24.041 13.444 -3.511 195 HB3 ASN 24 2HB ASN 24 -25.198 13.961 -2.288 196 HD21 ASN 24 2HD2 ASN 24 -25.630 12.983 -5.663 197 HD22 ASN 24 1HD2 ASN 24 -26.718 11.683 -5.328 198 H LYS 25 H LYS 25 -23.244 16.471 -3.989 199 HA LYS 25 HA LYS 25 -24.101 17.977 -1.649 200 HB2 LYS 25 1HB LYS 25 -21.636 17.054 -2.541 201 HB3 LYS 25 2HB LYS 25 -21.567 18.787 -2.832 202 HG2 LYS 25 1HG LYS 25 -20.667 18.306 -0.660 203 HG3 LYS 25 2HG LYS 25 -22.193 19.174 -0.476 204 HD2 LYS 25 1HD LYS 25 -23.189 17.440 0.551 205 HD3 LYS 25 2HD LYS 25 -22.466 16.256 -0.541 206 HE2 LYS 25 1HE LYS 25 -20.683 15.901 0.810 207 HE3 LYS 25 2HE LYS 25 -20.632 17.574 1.362 208 HZ1 LYS 25 3HZ LYS 25 -21.329 16.498 3.240 209 HZ2 LYS 25 1HZ LYS 25 -22.209 15.325 2.397 210 HZ3 LYS 25 2HZ LYS 25 -22.825 16.892 2.557 211 H ILE 26 H ILE 26 -23.900 18.330 -5.062 212 HA ILE 26 HA ILE 26 -23.938 21.225 -5.014 213 HB ILE 26 HB ILE 26 -22.881 19.753 -6.844 214 HG12 ILE 26 1HG1 ILE 26 -23.497 21.430 -8.605 215 HG13 ILE 26 2HG1 ILE 26 -24.716 22.064 -7.505 216 HG21 ILE 26 1HG2 ILE 26 -25.561 19.846 -8.144 217 HG22 ILE 26 2HG2 ILE 26 -24.186 18.792 -8.471 218 HG23 ILE 26 3HG2 ILE 26 -25.184 18.522 -7.041 219 HD11 ILE 26 3HD1 ILE 26 -23.199 23.373 -6.583 220 HD12 ILE 26 1HD1 ILE 26 -22.249 21.962 -6.116 221 HD13 ILE 26 2HD1 ILE 26 -21.977 22.731 -7.680 222 H ILE 27 H ILE 27 -26.205 18.604 -5.168 223 HA ILE 27 HA ILE 27 -28.400 20.197 -6.129 224 HB ILE 27 HB ILE 27 -29.790 18.219 -5.519 225 HG12 ILE 27 1HG1 ILE 27 -27.762 16.281 -5.161 226 HG13 ILE 27 2HG1 ILE 27 -27.434 17.569 -4.007 227 HG21 ILE 27 1HG2 ILE 27 -27.479 18.151 -7.366 228 HG22 ILE 27 2HG2 ILE 27 -28.328 16.631 -7.087 229 HG23 ILE 27 3HG2 ILE 27 -29.206 18.031 -7.703 230 HD11 ILE 27 3HD1 ILE 27 -29.882 15.860 -4.252 231 HD12 ILE 27 1HD1 ILE 27 -28.799 16.049 -2.874 232 HD13 ILE 27 2HD1 ILE 27 -29.875 17.368 -3.337 233 H SER 28 H SER 28 -27.101 19.256 -3.029 234 HA SER 28 HA SER 28 -29.421 20.191 -1.569 235 HB2 SER 28 1HB SER 28 -27.487 18.343 -0.997 236 HB3 SER 28 2HB SER 28 -26.933 19.732 -0.062 237 HG SER 28 HG SER 28 -29.293 18.241 0.179 238 H GLU 29 H GLU 29 -26.012 21.162 -1.902 239 HA GLU 29 HA GLU 29 -26.180 23.479 -0.326 240 HB2 GLU 29 1HB GLU 29 -24.120 22.206 -1.357 241 HB3 GLU 29 2HB GLU 29 -24.331 23.353 -2.674 242 HG2 GLU 29 1HG GLU 29 -22.812 24.447 -1.361 243 HG3 GLU 29 2HG GLU 29 -24.327 25.124 -0.768 244 H ALA 30 H ALA 30 -27.297 22.812 -3.501 245 HA ALA 30 HA ALA 30 -27.361 25.545 -4.398 246 HB1 ALA 30 1HB ALA 30 -27.192 24.101 -6.183 247 HB2 ALA 30 2HB ALA 30 -28.322 22.938 -5.487 248 HB3 ALA 30 3HB ALA 30 -28.922 24.447 -6.176 249 H GLU 31 H GLU 31 -30.048 23.231 -4.020 250 HA GLU 31 HA GLU 31 -32.087 25.093 -3.917 251 HB2 GLU 31 1HB GLU 31 -33.393 23.322 -2.718 252 HB3 GLU 31 2HB GLU 31 -32.612 22.776 -4.195 253 HG2 GLU 31 1HG GLU 31 -31.751 21.107 -3.032 254 HG3 GLU 31 2HG GLU 31 -30.753 22.287 -2.185 255 H ALA 32 H ALA 32 -29.854 24.132 -1.435 256 HA ALA 32 HA ALA 32 -31.284 25.068 0.814 257 HB1 ALA 32 1HB ALA 32 -28.979 25.163 1.869 258 HB2 ALA 32 2HB ALA 32 -29.490 23.600 1.230 259 HB3 ALA 32 3HB ALA 32 -28.358 24.598 0.318 260 H GLU 33 H GLU 33 -28.397 26.563 -0.658 261 HA GLU 33 HA GLU 33 -28.788 29.063 0.574 262 HB2 GLU 33 1HB GLU 33 -27.220 28.339 -1.906 263 HB3 GLU 33 2HB GLU 33 -27.125 29.891 -1.086 264 HG2 GLU 33 1HG GLU 33 -26.642 28.172 0.961 265 HG3 GLU 33 2HG GLU 33 -25.916 27.317 -0.399 266 H LYS 34 H LYS 34 -30.060 27.668 -2.336 267 HA LYS 34 HA LYS 34 -30.870 30.114 -3.565 268 HB2 LYS 34 1HB LYS 34 -30.526 27.982 -4.804 269 HB3 LYS 34 2HB LYS 34 -31.951 27.325 -4.010 270 HG2 LYS 34 1HG LYS 34 -33.358 28.399 -5.377 271 HG3 LYS 34 2HG LYS 34 -32.403 29.884 -5.355 272 HD2 LYS 34 1HD LYS 34 -32.145 29.243 -7.545 273 HD3 LYS 34 2HD LYS 34 -30.742 28.463 -6.810 274 HE2 LYS 34 1HE LYS 34 -31.885 26.357 -6.724 275 HE3 LYS 34 2HE LYS 34 -33.397 27.102 -7.241 276 HZ1 LYS 34 3HZ LYS 34 -32.807 26.648 -9.312 277 HZ2 LYS 34 1HZ LYS 34 -31.285 26.093 -8.825 278 HZ3 LYS 34 2HZ LYS 34 -31.517 27.732 -9.169 279 H ALA 35 H ALA 35 -32.749 27.531 -1.970 280 HA ALA 35 HA ALA 35 -35.186 28.907 -1.919 281 HB1 ALA 35 1HB ALA 35 -34.299 26.869 0.112 282 HB2 ALA 35 2HB ALA 35 -35.946 27.247 -0.394 283 HB3 ALA 35 3HB ALA 35 -34.838 26.455 -1.515 284 H LYS 36 H LYS 36 -32.347 29.355 -0.071 285 HA LYS 36 HA LYS 36 -33.661 30.589 2.188 286 HB2 LYS 36 1HB LYS 36 -31.538 29.355 2.457 287 HB3 LYS 36 2HB LYS 36 -30.734 30.534 1.429 288 HG2 LYS 36 1HG LYS 36 -32.171 31.639 3.748 289 HG3 LYS 36 2HG LYS 36 -30.759 30.645 4.116 290 HD2 LYS 36 1HD LYS 36 -30.710 32.909 2.130 291 HD3 LYS 36 2HD LYS 36 -30.321 33.116 3.839 292 HE2 LYS 36 1HE LYS 36 -28.943 31.032 2.181 293 HE3 LYS 36 2HE LYS 36 -28.400 32.709 2.161 294 HZ1 LYS 36 3HZ LYS 36 -27.291 31.170 3.809 295 HZ2 LYS 36 1HZ LYS 36 -28.739 31.203 4.684 296 HZ3 LYS 36 2HZ LYS 36 -27.874 32.633 4.426 297 H ILE 37 H ILE 37 -31.622 31.680 -0.514 298 HA ILE 37 HA ILE 37 -31.905 34.449 0.149 299 HB ILE 37 HB ILE 37 -30.762 34.911 -1.929 300 HG12 ILE 37 1HG1 ILE 37 -31.139 31.971 -2.538 301 HG13 ILE 37 2HG1 ILE 37 -31.935 33.307 -3.363 302 HG21 ILE 37 1HG2 ILE 37 -29.769 33.243 0.124 303 HG22 ILE 37 2HG2 ILE 37 -29.084 32.672 -1.397 304 HG23 ILE 37 3HG2 ILE 37 -28.872 34.354 -0.910 305 HD11 ILE 37 3HD1 ILE 37 -29.368 34.007 -3.715 306 HD12 ILE 37 1HD1 ILE 37 -29.207 32.252 -3.655 307 HD13 ILE 37 2HD1 ILE 37 -30.276 33.000 -4.843 308 H LEU 38 H LEU 38 -33.601 32.188 -1.901 309 HA LEU 38 HA LEU 38 -35.004 34.059 -3.485 310 HB2 LEU 38 1HB LEU 38 -35.240 31.180 -2.851 311 HB3 LEU 38 2HB LEU 38 -36.692 31.975 -3.455 312 HG LEU 38 HG LEU 38 -35.760 32.371 -5.543 313 HD11 LEU 38 1HD1 LEU 38 -33.059 31.934 -4.283 314 HD12 LEU 38 2HD1 LEU 38 -33.726 33.454 -4.877 315 HD13 LEU 38 3HD1 LEU 38 -33.333 32.161 -6.010 316 HD21 LEU 38 3HD2 LEU 38 -36.174 30.015 -5.283 317 HD22 LEU 38 1HD2 LEU 38 -34.587 29.777 -4.552 318 HD23 LEU 38 2HD2 LEU 38 -34.715 30.238 -6.249 319 H GLU 39 H GLU 39 -35.654 32.608 -0.346 320 HA GLU 39 HA GLU 39 -38.247 33.919 -0.173 321 HB2 GLU 39 1HB GLU 39 -36.813 31.825 1.360 322 HB3 GLU 39 2HB GLU 39 -37.923 32.839 2.271 323 HG2 GLU 39 1HG GLU 39 -39.685 32.270 0.591 324 HG3 GLU 39 2HG GLU 39 -38.558 31.105 -0.101 325 H LYS 40 H LYS 40 -34.991 34.257 1.030 326 HA LYS 40 HA LYS 40 -35.637 36.170 3.064 327 HB2 LYS 40 1HB LYS 40 -33.633 34.776 3.234 328 HB3 LYS 40 2HB LYS 40 -32.993 35.493 1.761 329 HG2 LYS 40 1HG LYS 40 -32.090 37.157 2.905 330 HG3 LYS 40 2HG LYS 40 -33.646 37.556 3.638 331 HD2 LYS 40 1HD LYS 40 -33.199 35.605 5.226 332 HD3 LYS 40 2HD LYS 40 -31.538 35.655 4.630 333 HE2 LYS 40 1HE LYS 40 -31.058 37.408 5.915 334 HE3 LYS 40 2HE LYS 40 -32.465 38.295 5.330 335 HZ1 LYS 40 3HZ LYS 40 -32.270 36.475 7.647 336 HZ2 LYS 40 1HZ LYS 40 -33.766 36.821 6.935 337 HZ3 LYS 40 2HZ LYS 40 -32.835 38.069 7.596 338 H ALA 41 H ALA 41 -34.224 36.365 -0.191 339 HA ALA 41 HA ALA 41 -33.976 39.193 -0.195 340 HB1 ALA 41 1HB ALA 41 -32.782 37.487 -1.686 341 HB2 ALA 41 2HB ALA 41 -34.242 37.526 -2.675 342 HB3 ALA 41 3HB ALA 41 -33.307 39.000 -2.425 343 H LYS 42 H LYS 42 -36.313 37.029 -1.802 344 HA LYS 42 HA LYS 42 -37.950 38.972 -2.914 345 HB2 LYS 42 1HB LYS 42 -38.100 36.542 -3.388 346 HB3 LYS 42 2HB LYS 42 -38.816 36.297 -1.800 347 HG2 LYS 42 1HG LYS 42 -40.589 36.310 -3.362 348 HG3 LYS 42 2HG LYS 42 -40.659 37.849 -2.499 349 HD2 LYS 42 1HD LYS 42 -38.983 37.993 -4.865 350 HD3 LYS 42 2HD LYS 42 -40.633 37.497 -5.248 351 HE2 LYS 42 1HE LYS 42 -41.433 39.450 -3.897 352 HE3 LYS 42 2HE LYS 42 -39.755 39.976 -3.774 353 HZ1 LYS 42 3HZ LYS 42 -40.194 41.079 -5.648 354 HZ2 LYS 42 1HZ LYS 42 -41.585 40.177 -5.987 355 HZ3 LYS 42 2HZ LYS 42 -40.064 39.582 -6.426 356 H GLU 43 H GLU 43 -37.722 37.865 0.378 357 HA GLU 43 HA GLU 43 -40.188 39.156 1.181 358 HB2 GLU 43 1HB GLU 43 -39.470 37.063 2.261 359 HB3 GLU 43 2HB GLU 43 -38.020 37.865 2.847 360 HG2 GLU 43 1HG GLU 43 -40.006 39.501 3.773 361 HG3 GLU 43 2HG GLU 43 -40.738 37.903 3.894 362 H GLU 44 H GLU 44 -36.794 39.488 2.241 363 HA GLU 44 HA GLU 44 -37.047 41.856 3.629 364 HB2 GLU 44 1HB GLU 44 -34.681 42.111 3.435 365 HB3 GLU 44 2HB GLU 44 -35.013 40.387 3.523 366 HG2 GLU 44 1HG GLU 44 -34.959 40.498 0.936 367 HG3 GLU 44 2HG GLU 44 -34.105 42.018 1.195 368 H ALA 45 H ALA 45 -36.692 41.355 0.169 369 HA ALA 45 HA ALA 45 -36.169 44.011 -0.582 370 HB1 ALA 45 1HB ALA 45 -36.990 43.320 -2.815 371 HB2 ALA 45 2HB ALA 45 -35.808 42.204 -2.129 372 HB3 ALA 45 3HB ALA 45 -37.523 41.794 -2.110 373 H GLU 46 H GLU 46 -39.255 42.303 -1.110 374 HA GLU 46 HA GLU 46 -40.798 44.558 -1.569 375 HB2 GLU 46 1HB GLU 46 -42.742 43.155 -1.069 376 HB3 GLU 46 2HB GLU 46 -41.573 42.293 -2.060 377 HG2 GLU 46 1HG GLU 46 -40.709 41.282 0.099 378 HG3 GLU 46 2HG GLU 46 -42.162 41.929 0.858 379 H LYS 47 H LYS 47 -40.011 42.962 1.476 380 HA LYS 47 HA LYS 47 -41.752 44.414 3.136 381 HB2 LYS 47 1HB LYS 47 -39.145 42.998 3.654 382 HB3 LYS 47 2HB LYS 47 -40.029 43.812 4.938 383 HG2 LYS 47 1HG LYS 47 -41.137 41.603 3.218 384 HG3 LYS 47 2HG LYS 47 -40.473 41.393 4.840 385 HD2 LYS 47 1HD LYS 47 -42.853 43.099 4.106 386 HD3 LYS 47 2HD LYS 47 -42.914 41.519 4.890 387 HE2 LYS 47 1HE LYS 47 -41.700 44.049 5.996 388 HE3 LYS 47 2HE LYS 47 -43.174 43.254 6.548 389 HZ1 LYS 47 3HZ LYS 47 -40.378 42.343 6.847 390 HZ2 LYS 47 1HZ LYS 47 -41.678 41.271 7.008 391 HZ3 LYS 47 2HZ LYS 47 -41.539 42.595 8.051 392 H ARG 48 H ARG 48 -38.300 44.940 2.422 393 HA ARG 48 HA ARG 48 -38.690 47.773 3.122 394 HB2 ARG 48 1HB ARG 48 -36.594 45.862 4.050 395 HB3 ARG 48 2HB ARG 48 -36.135 47.538 3.783 396 HG2 ARG 48 1HG ARG 48 -37.119 48.214 5.660 397 HG3 ARG 48 2HG ARG 48 -38.584 47.288 5.323 398 HD2 ARG 48 1HD ARG 48 -37.951 45.597 6.647 399 HD3 ARG 48 2HD ARG 48 -36.297 45.624 6.038 400 HE ARG 48 HE ARG 48 -36.564 47.841 7.665 401 HH11 ARG 48 1HH1 ARG 48 -36.794 44.382 7.994 402 HH12 ARG 48 2HH1 ARG 48 -36.282 44.375 9.649 403 HH21 ARG 48 1HH2 ARG 48 -35.890 47.844 9.844 404 HH22 ARG 48 2HH2 ARG 48 -35.769 46.344 10.701 405 H LYS 49 H LYS 49 -38.163 49.121 1.537 406 HA LYS 49 HA LYS 49 -36.495 48.106 -0.664 407 HB2 LYS 49 1HB LYS 49 -38.669 50.188 -0.563 408 HB3 LYS 49 2HB LYS 49 -37.549 50.085 -1.916 409 HG2 LYS 49 1HG LYS 49 -38.552 47.483 -1.450 410 HG3 LYS 49 2HG LYS 49 -39.922 48.595 -1.444 411 HD2 LYS 49 1HD LYS 49 -39.519 49.300 -3.623 412 HD3 LYS 49 2HD LYS 49 -37.838 48.764 -3.589 413 HE2 LYS 49 1HE LYS 49 -38.401 46.551 -3.940 414 HE3 LYS 49 2HE LYS 49 -40.037 46.760 -3.317 415 HZ1 LYS 49 3HZ LYS 49 -39.053 47.889 -5.882 416 HZ2 LYS 49 1HZ LYS 49 -40.639 47.952 -5.296 417 HZ3 LYS 49 2HZ LYS 49 -39.961 46.468 -5.741 418 H ALA 50 H ALA 50 -36.004 49.711 2.031 419 HA ALA 50 HA ALA 50 -34.571 52.010 0.981 420 HB1 ALA 50 1HB ALA 50 -34.333 51.247 3.834 421 HB2 ALA 50 2HB ALA 50 -34.559 52.834 3.097 422 HB3 ALA 50 3HB ALA 50 -35.927 51.732 3.254 423 H GLU 51 H GLU 51 -33.833 48.989 2.697 424 HA GLU 51 HA GLU 51 -31.010 49.343 1.928 425 HB2 GLU 51 1HB GLU 51 -30.433 47.918 3.849 426 HB3 GLU 51 2HB GLU 51 -31.290 49.371 4.345 427 HG2 GLU 51 1HG GLU 51 -33.351 48.091 4.568 428 HG3 GLU 51 2HG GLU 51 -32.506 46.633 4.049 429 H ILE 52 H ILE 52 -32.984 48.233 0.202 430 HA ILE 52 HA ILE 52 -33.401 46.429 -1.126 431 HB ILE 52 HB ILE 52 -30.618 45.588 -0.311 432 HG12 ILE 52 1HG1 ILE 52 -30.285 46.766 -2.709 433 HG13 ILE 52 2HG1 ILE 52 -31.627 47.729 -2.101 434 HG21 ILE 52 1HG2 ILE 52 -30.967 44.881 -2.924 435 HG22 ILE 52 2HG2 ILE 52 -31.160 43.800 -1.545 436 HG23 ILE 52 3HG2 ILE 52 -32.570 44.593 -2.247 437 HD11 ILE 52 3HD1 ILE 52 -28.845 47.869 -1.451 438 HD12 ILE 52 1HD1 ILE 52 -30.157 48.960 -1.006 439 HD13 ILE 52 2HD1 ILE 52 -29.794 47.560 0.003 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.491 -2.288 4.809 2 HA MET 1 HA MET 1 -1.572 -3.434 3.142 3 HB2 MET 1 1HB MET 1 -2.821 -4.119 5.736 4 HB3 MET 1 2HB MET 1 -3.699 -4.634 4.302 5 HG2 MET 1 1HG MET 1 -1.367 -5.554 3.568 6 HG3 MET 1 2HG MET 1 -1.025 -5.481 5.295 7 HE1 MET 1 3HE MET 1 -2.709 -8.384 6.809 8 HE2 MET 1 1HE MET 1 -1.065 -7.944 6.346 9 HE3 MET 1 2HE MET 1 -2.128 -6.739 7.073 10 H ALA 2 H ALA 2 -3.091 -3.229 1.558 11 HA ALA 2 HA ALA 2 -5.662 -2.106 1.931 12 HB1 ALA 2 1HB ALA 2 -5.018 0.046 2.082 13 HB2 ALA 2 2HB ALA 2 -3.455 -0.256 1.323 14 HB3 ALA 2 3HB ALA 2 -4.899 -0.077 0.327 15 H VAL 3 H VAL 3 -2.983 -2.735 -0.269 16 HA VAL 3 HA VAL 3 -4.696 -2.953 -2.581 17 HB VAL 3 HB VAL 3 -1.796 -3.740 -2.258 18 HG11 VAL 3 1HG1 VAL 3 -2.301 -4.829 -4.182 19 HG12 VAL 3 2HG1 VAL 3 -3.692 -3.799 -4.530 20 HG13 VAL 3 3HG1 VAL 3 -2.059 -3.222 -4.865 21 HG21 VAL 3 3HG2 VAL 3 -3.001 -1.182 -2.325 22 HG22 VAL 3 1HG2 VAL 3 -1.284 -1.583 -2.365 23 HG23 VAL 3 2HG2 VAL 3 -2.187 -1.423 -3.871 24 H LYS 4 H LYS 4 -3.313 -5.086 -0.198 25 HA LYS 4 HA LYS 4 -3.419 -7.537 -1.461 26 HB2 LYS 4 1HB LYS 4 -3.086 -6.618 1.167 27 HB3 LYS 4 2HB LYS 4 -4.426 -7.755 1.242 28 HG2 LYS 4 1HG LYS 4 -2.750 -9.234 1.526 29 HG3 LYS 4 2HG LYS 4 -2.732 -9.195 -0.239 30 HD2 LYS 4 1HD LYS 4 -1.082 -7.224 1.276 31 HD3 LYS 4 2HD LYS 4 -0.515 -8.890 1.133 32 HE2 LYS 4 1HE LYS 4 -0.868 -8.659 -1.358 33 HE3 LYS 4 2HE LYS 4 -1.108 -6.935 -1.079 34 HZ1 LYS 4 3HZ LYS 4 1.278 -8.013 0.131 35 HZ2 LYS 4 1HZ LYS 4 1.068 -6.604 -0.782 36 HZ3 LYS 4 2HZ LYS 4 1.270 -8.093 -1.558 37 H LEU 5 H LEU 5 -6.022 -6.025 0.452 38 HA LEU 5 HA LEU 5 -7.964 -7.978 -0.061 39 HB2 LEU 5 1HB LEU 5 -7.814 -5.657 1.415 40 HB3 LEU 5 2HB LEU 5 -9.025 -5.275 0.192 41 HG LEU 5 HG LEU 5 -9.969 -7.646 1.009 42 HD11 LEU 5 1HD1 LEU 5 -8.257 -6.610 3.215 43 HD12 LEU 5 2HD1 LEU 5 -8.558 -8.270 2.704 44 HD13 LEU 5 3HD1 LEU 5 -9.789 -7.390 3.610 45 HD21 LEU 5 3HD2 LEU 5 -11.260 -5.611 0.906 46 HD22 LEU 5 1HD2 LEU 5 -10.426 -4.969 2.321 47 HD23 LEU 5 2HD2 LEU 5 -11.488 -6.367 2.484 48 H MET 6 H MET 6 -10.186 -6.848 -1.090 49 HA MET 6 HA MET 6 -9.700 -6.974 -3.893 50 HB2 MET 6 1HB MET 6 -12.130 -6.467 -2.203 51 HB3 MET 6 2HB MET 6 -12.199 -6.271 -3.950 52 HG2 MET 6 1HG MET 6 -11.531 -8.583 -4.257 53 HG3 MET 6 2HG MET 6 -11.395 -8.789 -2.513 54 HE1 MET 6 3HE MET 6 -13.234 -8.540 -0.886 55 HE2 MET 6 1HE MET 6 -14.217 -7.199 -1.474 56 HE3 MET 6 2HE MET 6 -14.950 -8.782 -1.215 57 H GLY 7 H GLY 7 -8.204 -5.207 -4.160 58 HA2 GLY 7 1HA GLY 7 -8.681 -2.542 -3.537 59 HA3 GLY 7 2HA GLY 7 -7.698 -3.089 -4.887 60 H VAL 8 H VAL 8 -10.103 -4.495 -6.026 61 HA VAL 8 HA VAL 8 -10.910 -2.498 -7.818 62 HB VAL 8 HB VAL 8 -12.433 -5.027 -7.184 63 HG11 VAL 8 1HG1 VAL 8 -13.154 -4.854 -9.531 64 HG12 VAL 8 2HG1 VAL 8 -13.667 -3.464 -8.572 65 HG13 VAL 8 3HG1 VAL 8 -12.293 -3.321 -9.669 66 HG21 VAL 8 3HG2 VAL 8 -10.313 -5.846 -7.638 67 HG22 VAL 8 1HG2 VAL 8 -11.068 -5.846 -9.232 68 HG23 VAL 8 2HG2 VAL 8 -9.949 -4.558 -8.786 69 H ASP 9 H ASP 9 -12.276 -3.586 -4.784 70 HA ASP 9 HA ASP 9 -14.797 -2.314 -5.057 71 HB2 ASP 9 1HB ASP 9 -13.245 -3.511 -2.808 72 HB3 ASP 9 2HB ASP 9 -14.596 -2.454 -2.412 73 H LYS 10 H LYS 10 -11.646 -1.225 -4.073 74 HA LYS 10 HA LYS 10 -12.557 1.192 -2.821 75 HB2 LYS 10 1HB LYS 10 -10.048 -0.182 -3.203 76 HB3 LYS 10 2HB LYS 10 -9.875 1.521 -3.603 77 HG2 LYS 10 1HG LYS 10 -9.515 1.786 -1.417 78 HG3 LYS 10 2HG LYS 10 -11.269 1.652 -1.270 79 HD2 LYS 10 1HD LYS 10 -10.814 -0.897 -1.134 80 HD3 LYS 10 2HD LYS 10 -9.161 -0.413 -0.750 81 HE2 LYS 10 1HE LYS 10 -11.233 1.016 0.755 82 HE3 LYS 10 2HE LYS 10 -11.168 -0.717 1.069 83 HZ1 LYS 10 3HZ LYS 10 -9.442 1.303 2.000 84 HZ2 LYS 10 1HZ LYS 10 -8.550 0.215 1.061 85 HZ3 LYS 10 2HZ LYS 10 -9.444 -0.345 2.383 86 H ILE 11 H ILE 11 -10.942 0.447 -5.907 87 HA ILE 11 HA ILE 11 -11.041 3.092 -6.902 88 HB ILE 11 HB ILE 11 -10.605 2.064 -9.120 89 HG12 ILE 11 1HG1 ILE 11 -10.023 -0.522 -8.780 90 HG13 ILE 11 2HG1 ILE 11 -11.310 -0.389 -7.586 91 HG21 ILE 11 1HG2 ILE 11 -8.428 1.873 -8.614 92 HG22 ILE 11 2HG2 ILE 11 -8.940 2.286 -6.978 93 HG23 ILE 11 3HG2 ILE 11 -8.714 0.597 -7.431 94 HD11 ILE 11 3HD1 ILE 11 -12.125 0.865 -10.022 95 HD12 ILE 11 1HD1 ILE 11 -11.552 -0.771 -10.349 96 HD13 ILE 11 2HD1 ILE 11 -12.841 -0.505 -9.174 97 H LYS 12 H LYS 12 -13.224 0.339 -7.168 98 HA LYS 12 HA LYS 12 -14.961 1.536 -9.082 99 HB2 LYS 12 1HB LYS 12 -14.961 -0.848 -8.897 100 HB3 LYS 12 2HB LYS 12 -15.307 -0.776 -7.174 101 HG2 LYS 12 1HG LYS 12 -17.276 0.467 -9.002 102 HG3 LYS 12 2HG LYS 12 -17.171 -1.295 -8.991 103 HD2 LYS 12 1HD LYS 12 -17.231 0.021 -6.348 104 HD3 LYS 12 2HD LYS 12 -18.716 0.120 -7.299 105 HE2 LYS 12 1HE LYS 12 -17.230 -2.416 -6.614 106 HE3 LYS 12 2HE LYS 12 -18.693 -1.839 -5.818 107 HZ1 LYS 12 3HZ LYS 12 -19.478 -1.833 -8.358 108 HZ2 LYS 12 1HZ LYS 12 -19.674 -3.161 -7.328 109 HZ3 LYS 12 2HZ LYS 12 -18.372 -3.112 -8.406 110 H SER 13 H SER 13 -14.669 1.689 -5.629 111 HA SER 13 HA SER 13 -17.297 2.902 -5.311 112 HB2 SER 13 1HB SER 13 -16.607 1.339 -3.587 113 HB3 SER 13 2HB SER 13 -15.128 2.255 -3.301 114 HG SER 13 HG SER 13 -17.649 2.682 -2.357 115 H LYS 14 H LYS 14 -13.977 3.808 -5.612 116 HA LYS 14 HA LYS 14 -14.036 6.336 -4.390 117 HB2 LYS 14 1HB LYS 14 -12.069 4.886 -5.423 118 HB3 LYS 14 2HB LYS 14 -12.372 5.900 -6.827 119 HG2 LYS 14 1HG LYS 14 -11.594 6.804 -4.065 120 HG3 LYS 14 2HG LYS 14 -10.619 6.882 -5.535 121 HD2 LYS 14 1HD LYS 14 -13.206 8.365 -5.064 122 HD3 LYS 14 2HD LYS 14 -11.589 9.064 -4.954 123 HE2 LYS 14 1HE LYS 14 -11.900 7.699 -7.458 124 HE3 LYS 14 2HE LYS 14 -13.225 8.838 -7.230 125 HZ1 LYS 14 3HZ LYS 14 -10.336 9.371 -7.402 126 HZ2 LYS 14 1HZ LYS 14 -11.340 10.450 -6.572 127 HZ3 LYS 14 2HZ LYS 14 -11.613 10.131 -8.210 128 H ILE 15 H ILE 15 -13.991 5.733 -7.905 129 HA ILE 15 HA ILE 15 -14.826 8.286 -8.650 130 HB ILE 15 HB ILE 15 -15.413 5.764 -10.198 131 HG12 ILE 15 1HG1 ILE 15 -13.045 7.026 -11.121 132 HG13 ILE 15 2HG1 ILE 15 -12.886 6.838 -9.378 133 HG21 ILE 15 1HG2 ILE 15 -15.114 8.659 -10.945 134 HG22 ILE 15 2HG2 ILE 15 -15.009 7.358 -12.131 135 HG23 ILE 15 3HG2 ILE 15 -16.495 7.595 -11.211 136 HD11 ILE 15 3HD1 ILE 15 -12.840 4.836 -11.501 137 HD12 ILE 15 1HD1 ILE 15 -12.130 4.804 -9.887 138 HD13 ILE 15 2HD1 ILE 15 -13.832 4.397 -10.110 139 H LEU 16 H LEU 16 -16.710 5.378 -7.956 140 HA LEU 16 HA LEU 16 -19.217 6.342 -8.771 141 HB2 LEU 16 1HB LEU 16 -18.247 4.179 -6.988 142 HB3 LEU 16 2HB LEU 16 -19.938 4.655 -6.843 143 HG LEU 16 HG LEU 16 -19.479 2.686 -8.338 144 HD11 LEU 16 1HD1 LEU 16 -20.812 3.917 -10.309 145 HD12 LEU 16 2HD1 LEU 16 -21.026 5.104 -9.023 146 HD13 LEU 16 3HD1 LEU 16 -21.559 3.441 -8.784 147 HD21 LEU 16 3HD2 LEU 16 -18.635 4.595 -10.456 148 HD22 LEU 16 1HD2 LEU 16 -18.326 2.865 -10.301 149 HD23 LEU 16 2HD2 LEU 16 -17.419 4.014 -9.316 150 H ASP 17 H ASP 17 -17.933 6.083 -5.450 151 HA ASP 17 HA ASP 17 -19.984 7.571 -4.243 152 HB2 ASP 17 1HB ASP 17 -18.397 6.082 -3.031 153 HB3 ASP 17 2HB ASP 17 -17.130 7.278 -3.285 154 H ASP 18 H ASP 18 -16.916 8.538 -5.667 155 HA ASP 18 HA ASP 18 -16.916 11.209 -4.755 156 HB2 ASP 18 1HB ASP 18 -14.861 10.368 -5.574 157 HB3 ASP 18 2HB ASP 18 -15.590 9.833 -7.086 158 H ALA 19 H ALA 19 -17.772 9.909 -7.967 159 HA ALA 19 HA ALA 19 -18.734 12.272 -9.069 160 HB1 ALA 19 1HB ALA 19 -19.682 9.467 -9.643 161 HB2 ALA 19 2HB ALA 19 -19.903 10.875 -10.684 162 HB3 ALA 19 3HB ALA 19 -18.282 10.252 -10.375 163 H LYS 20 H LYS 20 -20.507 9.738 -7.317 164 HA LYS 20 HA LYS 20 -23.050 10.928 -7.520 165 HB2 LYS 20 1HB LYS 20 -21.813 8.783 -5.900 166 HB3 LYS 20 2HB LYS 20 -23.257 9.520 -5.220 167 HG2 LYS 20 1HG LYS 20 -24.451 8.148 -6.482 168 HG3 LYS 20 2HG LYS 20 -23.885 9.047 -7.891 169 HD2 LYS 20 1HD LYS 20 -22.080 6.970 -6.781 170 HD3 LYS 20 2HD LYS 20 -23.526 6.420 -7.630 171 HE2 LYS 20 1HE LYS 20 -22.098 8.554 -9.020 172 HE3 LYS 20 2HE LYS 20 -21.134 7.094 -8.799 173 HZ1 LYS 20 3HZ LYS 20 -23.763 6.446 -9.645 174 HZ2 LYS 20 1HZ LYS 20 -22.284 6.074 -10.377 175 HZ3 LYS 20 2HZ LYS 20 -23.054 7.539 -10.724 176 H ALA 21 H ALA 21 -20.475 11.239 -5.127 177 HA ALA 21 HA ALA 21 -21.927 12.759 -3.244 178 HB1 ALA 21 1HB ALA 21 -18.957 12.684 -3.762 179 HB2 ALA 21 2HB ALA 21 -19.733 13.363 -2.330 180 HB3 ALA 21 3HB ALA 21 -19.853 11.635 -2.662 181 H GLU 22 H GLU 22 -19.919 13.673 -6.010 182 HA GLU 22 HA GLU 22 -19.884 16.440 -5.569 183 HB2 GLU 22 1HB GLU 22 -18.768 14.780 -7.411 184 HB3 GLU 22 2HB GLU 22 -20.006 15.564 -8.383 185 HG2 GLU 22 1HG GLU 22 -19.075 17.679 -8.082 186 HG3 GLU 22 2HG GLU 22 -18.113 17.159 -6.700 187 H ALA 23 H ALA 23 -22.206 14.379 -7.249 188 HA ALA 23 HA ALA 23 -23.828 16.602 -8.103 189 HB1 ALA 23 1HB ALA 23 -25.229 15.012 -9.131 190 HB2 ALA 23 2HB ALA 23 -23.589 14.391 -9.321 191 HB3 ALA 23 3HB ALA 23 -24.651 13.712 -8.089 192 H ASN 24 H ASN 24 -23.601 14.583 -5.322 193 HA ASN 24 HA ASN 24 -26.300 15.099 -4.419 194 HB2 ASN 24 1HB ASN 24 -23.983 13.507 -3.451 195 HB3 ASN 24 2HB ASN 24 -25.132 14.064 -2.239 196 HD21 ASN 24 2HD2 ASN 24 -24.437 11.391 -3.504 197 HD22 ASN 24 1HD2 ASN 24 -25.973 10.726 -3.932 198 H LYS 25 H LYS 25 -23.152 16.485 -4.057 199 HA LYS 25 HA LYS 25 -23.934 18.082 -1.752 200 HB2 LYS 25 1HB LYS 25 -21.503 17.090 -2.671 201 HB3 LYS 25 2HB LYS 25 -21.413 18.813 -3.011 202 HG2 LYS 25 1HG LYS 25 -20.475 18.406 -0.852 203 HG3 LYS 25 2HG LYS 25 -22.006 19.259 -0.645 204 HD2 LYS 25 1HD LYS 25 -22.982 17.515 0.401 205 HD3 LYS 25 2HD LYS 25 -22.192 16.322 -0.632 206 HE2 LYS 25 1HE LYS 25 -21.122 15.870 1.327 207 HE3 LYS 25 2HE LYS 25 -20.053 17.128 0.708 208 HZ1 LYS 25 3HZ LYS 25 -22.335 17.830 2.437 209 HZ2 LYS 25 1HZ LYS 25 -20.898 18.683 2.170 210 HZ3 LYS 25 2HZ LYS 25 -20.886 17.283 3.118 211 H ILE 26 H ILE 26 -23.851 18.311 -5.171 212 HA ILE 26 HA ILE 26 -23.830 21.212 -5.217 213 HB ILE 26 HB ILE 26 -22.820 19.673 -7.018 214 HG12 ILE 26 1HG1 ILE 26 -23.451 21.301 -8.820 215 HG13 ILE 26 2HG1 ILE 26 -24.645 21.981 -7.719 216 HG21 ILE 26 1HG2 ILE 26 -25.144 18.465 -7.134 217 HG22 ILE 26 2HG2 ILE 26 -25.518 19.753 -8.278 218 HG23 ILE 26 3HG2 ILE 26 -24.162 18.667 -8.584 219 HD11 ILE 26 3HD1 ILE 26 -23.100 23.302 -6.865 220 HD12 ILE 26 1HD1 ILE 26 -22.154 21.898 -6.371 221 HD13 ILE 26 2HD1 ILE 26 -21.904 22.615 -7.963 222 H ILE 27 H ILE 27 -26.127 18.615 -5.238 223 HA ILE 27 HA ILE 27 -28.321 20.204 -6.213 224 HB ILE 27 HB ILE 27 -29.722 18.260 -5.521 225 HG12 ILE 27 1HG1 ILE 27 -27.715 16.306 -5.146 226 HG13 ILE 27 2HG1 ILE 27 -27.339 17.623 -4.041 227 HG21 ILE 27 1HG2 ILE 27 -27.415 18.059 -7.383 228 HG22 ILE 27 2HG2 ILE 27 -28.375 16.611 -7.083 229 HG23 ILE 27 3HG2 ILE 27 -29.146 18.063 -7.721 230 HD11 ILE 27 3HD1 ILE 27 -28.718 16.416 -2.715 231 HD12 ILE 27 1HD1 ILE 27 -29.928 17.415 -3.520 232 HD13 ILE 27 2HD1 ILE 27 -29.638 15.764 -4.071 233 H SER 28 H SER 28 -26.956 19.370 -3.116 234 HA SER 28 HA SER 28 -29.247 20.374 -1.645 235 HB2 SER 28 1HB SER 28 -26.934 18.738 -1.054 236 HB3 SER 28 2HB SER 28 -27.099 20.033 0.132 237 HG SER 28 HG SER 28 -29.336 18.501 -0.622 238 H GLU 29 H GLU 29 -25.810 21.244 -1.997 239 HA GLU 29 HA GLU 29 -25.898 23.602 -0.497 240 HB2 GLU 29 1HB GLU 29 -23.886 22.271 -1.527 241 HB3 GLU 29 2HB GLU 29 -24.107 23.365 -2.885 242 HG2 GLU 29 1HG GLU 29 -22.540 24.487 -1.657 243 HG3 GLU 29 2HG GLU 29 -24.028 25.212 -1.052 244 H ALA 30 H ALA 30 -27.105 22.897 -3.630 245 HA ALA 30 HA ALA 30 -27.157 25.642 -4.533 246 HB1 ALA 30 1HB ALA 30 -28.443 24.710 -6.448 247 HB2 ALA 30 2HB ALA 30 -26.875 23.941 -6.199 248 HB3 ALA 30 3HB ALA 30 -28.350 23.124 -5.682 249 H GLU 31 H GLU 31 -29.807 23.276 -4.211 250 HA GLU 31 HA GLU 31 -31.894 25.071 -4.145 251 HB2 GLU 31 1HB GLU 31 -33.247 23.328 -3.283 252 HB3 GLU 31 2HB GLU 31 -32.019 22.543 -4.266 253 HG2 GLU 31 1HG GLU 31 -30.729 22.125 -2.162 254 HG3 GLU 31 2HG GLU 31 -32.130 22.712 -1.268 255 H ALA 32 H ALA 32 -29.705 24.166 -1.581 256 HA ALA 32 HA ALA 32 -31.167 25.148 0.613 257 HB1 ALA 32 1HB ALA 32 -28.254 24.647 0.129 258 HB2 ALA 32 2HB ALA 32 -28.809 25.386 1.631 259 HB3 ALA 32 3HB ALA 32 -29.377 23.779 1.177 260 H GLU 33 H GLU 33 -28.286 26.683 -0.829 261 HA GLU 33 HA GLU 33 -28.720 29.192 0.334 262 HB2 GLU 33 1HB GLU 33 -27.067 30.034 -1.247 263 HB3 GLU 33 2HB GLU 33 -26.556 28.485 -0.592 264 HG2 GLU 33 1HG GLU 33 -27.564 27.456 -2.694 265 HG3 GLU 33 2HG GLU 33 -27.606 29.099 -3.330 266 H LYS 34 H LYS 34 -29.785 27.841 -2.737 267 HA LYS 34 HA LYS 34 -30.760 30.212 -3.893 268 HB2 LYS 34 1HB LYS 34 -30.405 28.128 -5.157 269 HB3 LYS 34 2HB LYS 34 -31.733 27.375 -4.284 270 HG2 LYS 34 1HG LYS 34 -33.312 28.424 -5.505 271 HG3 LYS 34 2HG LYS 34 -32.360 29.901 -5.669 272 HD2 LYS 34 1HD LYS 34 -30.847 28.306 -7.158 273 HD3 LYS 34 2HD LYS 34 -32.378 27.448 -7.346 274 HE2 LYS 34 1HE LYS 34 -33.123 30.052 -7.723 275 HE3 LYS 34 2HE LYS 34 -31.511 30.022 -8.436 276 HZ1 LYS 34 3HZ LYS 34 -33.954 28.788 -9.355 277 HZ2 LYS 34 1HZ LYS 34 -32.600 27.776 -9.424 278 HZ3 LYS 34 2HZ LYS 34 -32.586 29.264 -10.228 279 H ALA 35 H ALA 35 -32.469 27.673 -2.068 280 HA ALA 35 HA ALA 35 -34.966 29.004 -2.052 281 HB1 ALA 35 1HB ALA 35 -35.660 27.356 -0.453 282 HB2 ALA 35 2HB ALA 35 -34.652 26.569 -1.669 283 HB3 ALA 35 3HB ALA 35 -33.985 26.947 -0.081 284 H LYS 36 H LYS 36 -32.091 29.494 -0.280 285 HA LYS 36 HA LYS 36 -33.333 30.674 2.038 286 HB2 LYS 36 1HB LYS 36 -31.188 29.594 2.307 287 HB3 LYS 36 2HB LYS 36 -30.468 30.626 1.078 288 HG2 LYS 36 1HG LYS 36 -30.815 32.575 2.520 289 HG3 LYS 36 2HG LYS 36 -31.514 31.526 3.756 290 HD2 LYS 36 1HD LYS 36 -29.379 31.565 4.529 291 HD3 LYS 36 2HD LYS 36 -29.203 30.240 3.376 292 HE2 LYS 36 1HE LYS 36 -27.923 31.461 1.972 293 HE3 LYS 36 2HE LYS 36 -28.817 32.948 2.281 294 HZ1 LYS 36 3HZ LYS 36 -26.534 31.817 3.735 295 HZ2 LYS 36 1HZ LYS 36 -27.651 32.757 4.590 296 HZ3 LYS 36 2HZ LYS 36 -26.827 33.416 3.268 297 H ILE 37 H ILE 37 -31.467 31.897 -0.736 298 HA ILE 37 HA ILE 37 -31.886 34.639 -0.037 299 HB ILE 37 HB ILE 37 -30.986 35.106 -2.325 300 HG12 ILE 37 1HG1 ILE 37 -30.079 32.343 -2.705 301 HG13 ILE 37 2HG1 ILE 37 -31.819 32.541 -2.884 302 HG21 ILE 37 1HG2 ILE 37 -29.626 34.703 -0.185 303 HG22 ILE 37 2HG2 ILE 37 -29.209 33.151 -0.909 304 HG23 ILE 37 3HG2 ILE 37 -28.777 34.651 -1.730 305 HD11 ILE 37 3HD1 ILE 37 -31.502 34.189 -4.601 306 HD12 ILE 37 1HD1 ILE 37 -29.755 34.159 -4.357 307 HD13 ILE 37 2HD1 ILE 37 -30.580 32.740 -5.004 308 H LEU 38 H LEU 38 -33.557 32.293 -1.993 309 HA LEU 38 HA LEU 38 -35.104 34.069 -3.548 310 HB2 LEU 38 1HB LEU 38 -35.196 31.201 -2.841 311 HB3 LEU 38 2HB LEU 38 -36.707 31.923 -3.388 312 HG LEU 38 HG LEU 38 -35.936 32.243 -5.531 313 HD11 LEU 38 1HD1 LEU 38 -33.389 32.057 -5.995 314 HD12 LEU 38 2HD1 LEU 38 -33.232 32.396 -4.272 315 HD13 LEU 38 3HD1 LEU 38 -34.046 33.551 -5.327 316 HD21 LEU 38 3HD2 LEU 38 -34.397 29.848 -4.534 317 HD22 LEU 38 1HD2 LEU 38 -34.744 30.205 -6.226 318 HD23 LEU 38 2HD2 LEU 38 -36.065 29.862 -5.108 319 H GLU 39 H GLU 39 -35.597 32.622 -0.370 320 HA GLU 39 HA GLU 39 -38.205 33.884 -0.106 321 HB2 GLU 39 1HB GLU 39 -36.632 31.917 1.511 322 HB3 GLU 39 2HB GLU 39 -37.933 32.816 2.278 323 HG2 GLU 39 1HG GLU 39 -38.471 31.415 -0.291 324 HG3 GLU 39 2HG GLU 39 -38.363 30.474 1.196 325 H LYS 40 H LYS 40 -34.915 34.297 0.970 326 HA LYS 40 HA LYS 40 -35.512 36.186 3.036 327 HB2 LYS 40 1HB LYS 40 -33.454 34.831 3.049 328 HB3 LYS 40 2HB LYS 40 -32.911 35.647 1.589 329 HG2 LYS 40 1HG LYS 40 -32.057 37.320 2.763 330 HG3 LYS 40 2HG LYS 40 -33.577 37.565 3.626 331 HD2 LYS 40 1HD LYS 40 -32.968 35.741 5.166 332 HD3 LYS 40 2HD LYS 40 -31.429 35.560 4.320 333 HE2 LYS 40 1HE LYS 40 -31.060 38.036 4.847 334 HE3 LYS 40 2HE LYS 40 -32.397 37.866 5.984 335 HZ1 LYS 40 3HZ LYS 40 -30.456 35.788 6.274 336 HZ2 LYS 40 1HZ LYS 40 -31.092 36.838 7.438 337 HZ3 LYS 40 2HZ LYS 40 -29.775 37.321 6.494 338 H ALA 41 H ALA 41 -34.330 36.432 -0.303 339 HA ALA 41 HA ALA 41 -34.144 39.267 -0.304 340 HB1 ALA 41 1HB ALA 41 -33.730 39.095 -2.636 341 HB2 ALA 41 2HB ALA 41 -32.954 37.706 -1.874 342 HB3 ALA 41 3HB ALA 41 -34.489 37.504 -2.720 343 H LYS 42 H LYS 42 -36.509 37.076 -1.838 344 HA LYS 42 HA LYS 42 -38.267 38.981 -2.795 345 HB2 LYS 42 1HB LYS 42 -38.755 36.184 -1.779 346 HB3 LYS 42 2HB LYS 42 -40.026 37.158 -2.508 347 HG2 LYS 42 1HG LYS 42 -38.688 37.328 -4.564 348 HG3 LYS 42 2HG LYS 42 -37.461 36.292 -3.829 349 HD2 LYS 42 1HD LYS 42 -38.720 34.801 -5.093 350 HD3 LYS 42 2HD LYS 42 -39.407 34.629 -3.476 351 HE2 LYS 42 1HE LYS 42 -41.408 35.177 -4.267 352 HE3 LYS 42 2HE LYS 42 -40.778 36.737 -4.793 353 HZ1 LYS 42 3HZ LYS 42 -41.779 34.901 -6.447 354 HZ2 LYS 42 1HZ LYS 42 -40.138 34.496 -6.514 355 HZ3 LYS 42 2HZ LYS 42 -40.639 36.061 -6.914 356 H GLU 43 H GLU 43 -37.808 37.842 0.462 357 HA GLU 43 HA GLU 43 -40.248 39.069 1.432 358 HB2 GLU 43 1HB GLU 43 -39.562 37.024 2.499 359 HB3 GLU 43 2HB GLU 43 -37.967 37.678 2.839 360 HG2 GLU 43 1HG GLU 43 -38.654 38.545 4.754 361 HG3 GLU 43 2HG GLU 43 -40.002 39.363 3.967 362 H GLU 44 H GLU 44 -36.811 39.444 2.324 363 HA GLU 44 HA GLU 44 -37.021 41.786 3.751 364 HB2 GLU 44 1HB GLU 44 -34.681 42.077 3.447 365 HB3 GLU 44 2HB GLU 44 -34.971 40.343 3.471 366 HG2 GLU 44 1HG GLU 44 -35.064 40.579 0.892 367 HG3 GLU 44 2HG GLU 44 -34.226 42.103 1.179 368 H ALA 45 H ALA 45 -36.896 41.346 0.271 369 HA ALA 45 HA ALA 45 -36.474 44.038 -0.450 370 HB1 ALA 45 1HB ALA 45 -37.377 43.360 -2.657 371 HB2 ALA 45 2HB ALA 45 -36.120 42.280 -2.052 372 HB3 ALA 45 3HB ALA 45 -37.814 41.799 -1.959 373 H GLU 46 H GLU 46 -39.517 42.198 -0.762 374 HA GLU 46 HA GLU 46 -41.177 44.387 -1.161 375 HB2 GLU 46 1HB GLU 46 -43.024 42.926 -0.605 376 HB3 GLU 46 2HB GLU 46 -41.834 42.030 -1.539 377 HG2 GLU 46 1HG GLU 46 -40.976 41.030 0.523 378 HG3 GLU 46 2HG GLU 46 -42.189 41.915 1.448 379 H LYS 47 H LYS 47 -40.047 42.925 1.829 380 HA LYS 47 HA LYS 47 -41.763 44.340 3.580 381 HB2 LYS 47 1HB LYS 47 -40.180 42.262 3.967 382 HB3 LYS 47 2HB LYS 47 -39.023 43.502 4.434 383 HG2 LYS 47 1HG LYS 47 -40.151 42.657 6.385 384 HG3 LYS 47 2HG LYS 47 -40.623 44.335 6.106 385 HD2 LYS 47 1HD LYS 47 -42.357 42.389 4.781 386 HD3 LYS 47 2HD LYS 47 -42.346 42.247 6.541 387 HE2 LYS 47 1HE LYS 47 -42.630 44.939 5.280 388 HE3 LYS 47 2HE LYS 47 -44.024 43.862 5.347 389 HZ1 LYS 47 3HZ LYS 47 -42.429 44.820 7.661 390 HZ2 LYS 47 1HZ LYS 47 -43.698 43.705 7.760 391 HZ3 LYS 47 2HZ LYS 47 -44.004 45.292 7.261 392 H ARG 48 H ARG 48 -38.366 44.896 2.655 393 HA ARG 48 HA ARG 48 -38.150 47.348 4.074 394 HB2 ARG 48 1HB ARG 48 -36.153 46.108 3.574 395 HB3 ARG 48 2HB ARG 48 -36.497 46.150 1.850 396 HG2 ARG 48 1HG ARG 48 -35.802 48.315 1.620 397 HG3 ARG 48 2HG ARG 48 -36.180 48.728 3.294 398 HD2 ARG 48 1HD ARG 48 -34.051 46.717 2.824 399 HD3 ARG 48 2HD ARG 48 -33.684 48.395 2.428 400 HE ARG 48 HE ARG 48 -34.819 48.332 4.980 401 HH11 ARG 48 1HH1 ARG 48 -31.936 47.266 3.343 402 HH12 ARG 48 2HH1 ARG 48 -30.939 47.369 4.757 403 HH21 ARG 48 1HH2 ARG 48 -33.516 48.471 6.847 404 HH22 ARG 48 2HH2 ARG 48 -31.839 48.053 6.749 405 H LYS 49 H LYS 49 -37.809 46.962 0.555 406 HA LYS 49 HA LYS 49 -38.568 49.643 0.029 407 HB2 LYS 49 1HB LYS 49 -38.382 47.256 -1.818 408 HB3 LYS 49 2HB LYS 49 -38.595 48.918 -2.351 409 HG2 LYS 49 1HG LYS 49 -36.398 49.158 -2.380 410 HG3 LYS 49 2HG LYS 49 -36.366 48.905 -0.634 411 HD2 LYS 49 1HD LYS 49 -34.918 47.269 -1.438 412 HD3 LYS 49 2HD LYS 49 -36.435 46.393 -1.221 413 HE2 LYS 49 1HE LYS 49 -35.744 45.701 -3.322 414 HE3 LYS 49 2HE LYS 49 -36.866 47.008 -3.696 415 HZ1 LYS 49 3HZ LYS 49 -35.140 48.439 -4.240 416 HZ2 LYS 49 1HZ LYS 49 -34.623 46.964 -4.887 417 HZ3 LYS 49 2HZ LYS 49 -33.972 47.522 -3.430 418 H ALA 50 H ALA 50 -40.345 49.983 -1.765 419 HA ALA 50 HA ALA 50 -42.774 48.517 -0.984 420 HB1 ALA 50 1HB ALA 50 -44.047 50.584 -0.978 421 HB2 ALA 50 2HB ALA 50 -42.719 50.678 0.180 422 HB3 ALA 50 3HB ALA 50 -42.594 51.502 -1.375 423 H GLU 51 H GLU 51 -40.950 48.357 -3.327 424 HA GLU 51 HA GLU 51 -42.492 49.442 -5.525 425 HB2 GLU 51 1HB GLU 51 -39.857 48.177 -5.178 426 HB3 GLU 51 2HB GLU 51 -40.670 47.770 -6.683 427 HG2 GLU 51 1HG GLU 51 -40.478 50.622 -5.835 428 HG3 GLU 51 2HG GLU 51 -39.083 49.825 -6.560 429 H ILE 52 H ILE 52 -41.507 46.180 -4.474 430 HA ILE 52 HA ILE 52 -43.949 45.142 -5.756 431 HB ILE 52 HB ILE 52 -42.791 43.106 -6.353 432 HG12 ILE 52 1HG1 ILE 52 -40.117 43.447 -6.104 433 HG13 ILE 52 2HG1 ILE 52 -40.670 44.279 -4.655 434 HG21 ILE 52 1HG2 ILE 52 -42.334 44.147 -8.258 435 HG22 ILE 52 2HG2 ILE 52 -42.164 45.685 -7.414 436 HG23 ILE 52 3HG2 ILE 52 -40.770 44.620 -7.593 437 HD11 ILE 52 3HD1 ILE 52 -40.307 41.525 -5.043 438 HD12 ILE 52 1HD1 ILE 52 -40.952 42.349 -3.624 439 HD13 ILE 52 2HD1 ILE 52 -42.044 41.791 -4.892 Start of MODEL 4 1 H1 MET 1 H MET 1 -17.027 -8.180 4.162 2 HA MET 1 HA MET 1 -18.116 -7.465 2.299 3 HB2 MET 1 1HB MET 1 -18.331 -5.401 3.946 4 HB3 MET 1 2HB MET 1 -17.290 -4.634 2.754 5 HG2 MET 1 1HG MET 1 -18.933 -4.448 1.255 6 HG3 MET 1 2HG MET 1 -19.564 -6.057 1.601 7 HE1 MET 1 3HE MET 1 -21.176 -2.091 2.842 8 HE2 MET 1 1HE MET 1 -19.728 -2.447 1.900 9 HE3 MET 1 2HE MET 1 -21.318 -2.886 1.273 10 H ALA 2 H ALA 2 -15.483 -8.356 2.003 11 HA ALA 2 HA ALA 2 -13.797 -8.456 0.477 12 HB1 ALA 2 1HB ALA 2 -15.186 -6.588 -1.369 13 HB2 ALA 2 2HB ALA 2 -14.372 -8.117 -1.704 14 HB3 ALA 2 3HB ALA 2 -15.978 -8.115 -0.977 15 H VAL 3 H VAL 3 -14.107 -6.104 2.409 16 HA VAL 3 HA VAL 3 -12.730 -3.940 1.090 17 HB VAL 3 HB VAL 3 -13.219 -4.314 4.046 18 HG11 VAL 3 1HG1 VAL 3 -11.722 -2.597 3.997 19 HG12 VAL 3 2HG1 VAL 3 -12.167 -2.108 2.360 20 HG13 VAL 3 3HG1 VAL 3 -13.204 -1.681 3.722 21 HG21 VAL 3 3HG2 VAL 3 -15.005 -2.422 3.107 22 HG22 VAL 3 1HG2 VAL 3 -15.042 -3.686 1.877 23 HG23 VAL 3 2HG2 VAL 3 -15.385 -4.083 3.560 24 H LYS 4 H LYS 4 -11.901 -6.683 3.074 25 HA LYS 4 HA LYS 4 -9.421 -5.976 4.057 26 HB2 LYS 4 1HB LYS 4 -10.918 -8.337 3.821 27 HB3 LYS 4 2HB LYS 4 -9.370 -8.692 3.066 28 HG2 LYS 4 1HG LYS 4 -8.831 -9.241 5.188 29 HG3 LYS 4 2HG LYS 4 -8.477 -7.514 5.282 30 HD2 LYS 4 1HD LYS 4 -9.777 -8.089 7.199 31 HD3 LYS 4 2HD LYS 4 -10.816 -7.168 6.109 32 HE2 LYS 4 1HE LYS 4 -12.156 -8.940 5.675 33 HE3 LYS 4 2HE LYS 4 -10.830 -10.099 5.757 34 HZ1 LYS 4 3HZ LYS 4 -11.385 -10.593 7.828 35 HZ2 LYS 4 1HZ LYS 4 -12.742 -9.591 7.693 36 HZ3 LYS 4 2HZ LYS 4 -11.292 -8.974 8.307 37 H LEU 5 H LEU 5 -10.239 -7.238 0.851 38 HA LEU 5 HA LEU 5 -7.692 -7.597 -0.175 39 HB2 LEU 5 1HB LEU 5 -10.369 -7.336 -1.208 40 HB3 LEU 5 2HB LEU 5 -9.211 -6.546 -2.275 41 HG LEU 5 HG LEU 5 -7.915 -8.770 -2.164 42 HD11 LEU 5 1HD1 LEU 5 -10.314 -9.403 -0.635 43 HD12 LEU 5 2HD1 LEU 5 -8.770 -10.249 -0.728 44 HD13 LEU 5 3HD1 LEU 5 -10.004 -10.530 -1.955 45 HD21 LEU 5 3HD2 LEU 5 -9.473 -7.750 -4.015 46 HD22 LEU 5 1HD2 LEU 5 -10.524 -9.092 -3.564 47 HD23 LEU 5 2HD2 LEU 5 -8.888 -9.410 -4.139 48 H MET 6 H MET 6 -9.718 -4.670 -0.356 49 HA MET 6 HA MET 6 -9.200 -2.478 -0.662 50 HB2 MET 6 1HB MET 6 -6.854 -3.582 0.770 51 HB3 MET 6 2HB MET 6 -6.621 -2.026 -0.014 52 HG2 MET 6 1HG MET 6 -9.011 -1.680 1.267 53 HG3 MET 6 2HG MET 6 -8.125 -2.715 2.384 54 HE1 MET 6 3HE MET 6 -6.432 -0.486 4.442 55 HE2 MET 6 1HE MET 6 -6.928 -2.112 3.971 56 HE3 MET 6 2HE MET 6 -5.350 -1.495 3.482 57 H GLY 7 H GLY 7 -9.447 -2.662 -2.939 58 HA2 GLY 7 1HA GLY 7 -7.142 -1.829 -4.403 59 HA3 GLY 7 2HA GLY 7 -7.578 -3.487 -4.789 60 H VAL 8 H VAL 8 -9.276 -3.884 -6.124 61 HA VAL 8 HA VAL 8 -10.156 -1.863 -7.853 62 HB VAL 8 HB VAL 8 -10.138 -4.243 -8.472 63 HG11 VAL 8 1HG1 VAL 8 -11.141 -4.869 -6.148 64 HG12 VAL 8 2HG1 VAL 8 -12.687 -4.662 -6.972 65 HG13 VAL 8 3HG1 VAL 8 -11.523 -5.848 -7.564 66 HG21 VAL 8 3HG2 VAL 8 -12.986 -3.361 -8.703 67 HG22 VAL 8 1HG2 VAL 8 -11.705 -2.429 -9.478 68 HG23 VAL 8 2HG2 VAL 8 -11.948 -4.122 -9.908 69 H ASP 9 H ASP 9 -11.523 -3.148 -4.897 70 HA ASP 9 HA ASP 9 -14.104 -2.005 -5.177 71 HB2 ASP 9 1HB ASP 9 -12.537 -3.217 -2.947 72 HB3 ASP 9 2HB ASP 9 -13.947 -2.245 -2.534 73 H LYS 10 H LYS 10 -11.039 -0.789 -4.077 74 HA LYS 10 HA LYS 10 -12.107 1.519 -2.747 75 HB2 LYS 10 1HB LYS 10 -9.802 0.327 -2.426 76 HB3 LYS 10 2HB LYS 10 -9.292 1.349 -3.763 77 HG2 LYS 10 1HG LYS 10 -10.660 2.582 -1.419 78 HG3 LYS 10 2HG LYS 10 -8.958 2.128 -1.301 79 HD2 LYS 10 1HD LYS 10 -8.477 3.488 -3.294 80 HD3 LYS 10 2HD LYS 10 -10.175 3.966 -3.364 81 HE2 LYS 10 1HE LYS 10 -8.828 5.695 -2.302 82 HE3 LYS 10 2HE LYS 10 -9.974 4.999 -1.157 83 HZ1 LYS 10 3HZ LYS 10 -8.301 4.472 0.169 84 HZ2 LYS 10 1HZ LYS 10 -7.210 5.197 -0.900 85 HZ3 LYS 10 2HZ LYS 10 -7.568 3.551 -1.046 86 H ILE 11 H ILE 11 -10.395 0.993 -5.826 87 HA ILE 11 HA ILE 11 -10.621 3.670 -6.711 88 HB ILE 11 HB ILE 11 -10.078 2.766 -8.957 89 HG12 ILE 11 1HG1 ILE 11 -9.366 0.203 -8.721 90 HG13 ILE 11 2HG1 ILE 11 -10.679 0.211 -7.549 91 HG21 ILE 11 1HG2 ILE 11 -7.893 1.598 -8.143 92 HG22 ILE 11 2HG2 ILE 11 -8.173 3.300 -7.778 93 HG23 ILE 11 3HG2 ILE 11 -8.464 2.074 -6.544 94 HD11 ILE 11 3HD1 ILE 11 -12.174 0.083 -9.168 95 HD12 ILE 11 1HD1 ILE 11 -11.522 1.528 -9.940 96 HD13 ILE 11 2HD1 ILE 11 -10.853 -0.057 -10.329 97 H LYS 12 H LYS 12 -12.644 0.818 -7.129 98 HA LYS 12 HA LYS 12 -14.405 1.997 -9.034 99 HB2 LYS 12 1HB LYS 12 -14.273 -0.390 -8.950 100 HB3 LYS 12 2HB LYS 12 -14.658 -0.412 -7.234 101 HG2 LYS 12 1HG LYS 12 -16.700 0.866 -8.889 102 HG3 LYS 12 2HG LYS 12 -16.433 -0.840 -9.256 103 HD2 LYS 12 1HD LYS 12 -17.544 -1.447 -7.428 104 HD3 LYS 12 2HD LYS 12 -16.482 -0.465 -6.416 105 HE2 LYS 12 1HE LYS 12 -17.913 1.323 -6.415 106 HE3 LYS 12 2HE LYS 12 -18.606 0.908 -7.982 107 HZ1 LYS 12 3HZ LYS 12 -19.699 0.407 -5.508 108 HZ2 LYS 12 1HZ LYS 12 -19.164 -1.103 -6.055 109 HZ3 LYS 12 2HZ LYS 12 -20.238 -0.195 -6.994 110 H SER 13 H SER 13 -14.188 2.019 -5.574 111 HA SER 13 HA SER 13 -16.889 3.063 -5.260 112 HB2 SER 13 1HB SER 13 -15.995 1.437 -3.614 113 HB3 SER 13 2HB SER 13 -14.744 2.599 -3.172 114 HG SER 13 HG SER 13 -16.148 3.444 -1.875 115 H LYS 14 H LYS 14 -13.617 4.174 -5.438 116 HA LYS 14 HA LYS 14 -13.860 6.646 -4.130 117 HB2 LYS 14 1HB LYS 14 -11.784 5.354 -5.163 118 HB3 LYS 14 2HB LYS 14 -12.112 6.404 -6.536 119 HG2 LYS 14 1HG LYS 14 -11.464 7.245 -3.720 120 HG3 LYS 14 2HG LYS 14 -10.453 7.432 -5.155 121 HD2 LYS 14 1HD LYS 14 -13.131 8.750 -4.707 122 HD3 LYS 14 2HD LYS 14 -11.558 9.534 -4.534 123 HE2 LYS 14 1HE LYS 14 -11.708 8.250 -7.086 124 HE3 LYS 14 2HE LYS 14 -13.129 9.268 -6.863 125 HZ1 LYS 14 3HZ LYS 14 -10.415 10.024 -7.333 126 HZ2 LYS 14 1HZ LYS 14 -11.053 10.799 -5.971 127 HZ3 LYS 14 2HZ LYS 14 -11.827 10.945 -7.468 128 H ILE 15 H ILE 15 -13.691 6.180 -7.662 129 HA ILE 15 HA ILE 15 -14.702 8.714 -8.303 130 HB ILE 15 HB ILE 15 -14.968 6.259 -10.034 131 HG12 ILE 15 1HG1 ILE 15 -12.671 7.745 -10.745 132 HG13 ILE 15 2HG1 ILE 15 -12.591 7.505 -9.004 133 HG21 ILE 15 1HG2 ILE 15 -15.121 9.193 -10.471 134 HG22 ILE 15 2HG2 ILE 15 -14.423 8.197 -11.746 135 HG23 ILE 15 3HG2 ILE 15 -16.068 7.890 -11.190 136 HD11 ILE 15 3HD1 ILE 15 -11.668 5.545 -9.494 137 HD12 ILE 15 1HD1 ILE 15 -13.298 5.024 -9.920 138 HD13 ILE 15 2HD1 ILE 15 -12.204 5.612 -11.172 139 H LEU 16 H LEU 16 -16.317 5.615 -7.826 140 HA LEU 16 HA LEU 16 -18.861 6.349 -8.757 141 HB2 LEU 16 1HB LEU 16 -18.432 4.056 -8.440 142 HB3 LEU 16 2HB LEU 16 -17.919 4.303 -6.773 143 HG LEU 16 HG LEU 16 -20.736 4.953 -7.451 144 HD11 LEU 16 1HD1 LEU 16 -21.430 2.882 -7.916 145 HD12 LEU 16 2HD1 LEU 16 -20.351 2.154 -6.727 146 HD13 LEU 16 3HD1 LEU 16 -19.748 2.556 -8.334 147 HD21 LEU 16 3HD2 LEU 16 -19.118 4.510 -5.130 148 HD22 LEU 16 1HD2 LEU 16 -20.462 3.368 -5.146 149 HD23 LEU 16 2HD2 LEU 16 -20.777 5.101 -5.238 150 H ASP 17 H ASP 17 -17.656 6.203 -5.402 151 HA ASP 17 HA ASP 17 -19.942 7.429 -4.275 152 HB2 ASP 17 1HB ASP 17 -18.315 6.030 -3.007 153 HB3 ASP 17 2HB ASP 17 -17.140 7.335 -3.140 154 H ASP 18 H ASP 18 -16.871 8.686 -5.449 155 HA ASP 18 HA ASP 18 -17.154 11.316 -4.468 156 HB2 ASP 18 1HB ASP 18 -15.015 10.367 -5.283 157 HB3 ASP 18 2HB ASP 18 -15.653 10.385 -6.925 158 H ALA 19 H ALA 19 -17.937 9.888 -7.628 159 HA ALA 19 HA ALA 19 -18.878 12.210 -8.866 160 HB1 ALA 19 1HB ALA 19 -20.086 10.682 -10.387 161 HB2 ALA 19 2HB ALA 19 -18.402 10.219 -10.139 162 HB3 ALA 19 3HB ALA 19 -19.688 9.341 -9.312 163 H LYS 20 H LYS 20 -20.881 9.579 -7.517 164 HA LYS 20 HA LYS 20 -23.327 10.842 -7.648 165 HB2 LYS 20 1HB LYS 20 -22.187 8.606 -6.133 166 HB3 LYS 20 2HB LYS 20 -23.537 9.388 -5.322 167 HG2 LYS 20 1HG LYS 20 -24.286 7.517 -6.679 168 HG3 LYS 20 2HG LYS 20 -24.935 9.042 -7.287 169 HD2 LYS 20 1HD LYS 20 -24.216 7.774 -9.173 170 HD3 LYS 20 2HD LYS 20 -23.045 9.075 -8.940 171 HE2 LYS 20 1HE LYS 20 -21.390 7.612 -8.693 172 HE3 LYS 20 2HE LYS 20 -22.270 6.764 -7.423 173 HZ1 LYS 20 3HZ LYS 20 -23.466 6.084 -9.835 174 HZ2 LYS 20 1HZ LYS 20 -22.539 5.092 -8.826 175 HZ3 LYS 20 2HZ LYS 20 -21.797 5.953 -10.078 176 H ALA 21 H ALA 21 -20.817 11.153 -5.205 177 HA ALA 21 HA ALA 21 -22.332 12.610 -3.316 178 HB1 ALA 21 1HB ALA 21 -20.156 13.245 -2.363 179 HB2 ALA 21 2HB ALA 21 -20.260 11.516 -2.698 180 HB3 ALA 21 3HB ALA 21 -19.353 12.570 -3.782 181 H GLU 22 H GLU 22 -20.280 13.602 -6.023 182 HA GLU 22 HA GLU 22 -20.303 16.361 -5.537 183 HB2 GLU 22 1HB GLU 22 -19.130 14.741 -7.390 184 HB3 GLU 22 2HB GLU 22 -20.347 15.549 -8.369 185 HG2 GLU 22 1HG GLU 22 -19.458 17.690 -7.860 186 HG3 GLU 22 2HG GLU 22 -18.393 17.021 -6.625 187 H ALA 23 H ALA 23 -22.550 14.290 -7.304 188 HA ALA 23 HA ALA 23 -24.192 16.500 -8.156 189 HB1 ALA 23 1HB ALA 23 -24.034 14.547 -9.569 190 HB2 ALA 23 2HB ALA 23 -24.660 13.524 -8.275 191 HB3 ALA 23 3HB ALA 23 -25.697 14.744 -9.014 192 H ASN 24 H ASN 24 -23.986 14.448 -5.401 193 HA ASN 24 HA ASN 24 -26.715 14.896 -4.551 194 HB2 ASN 24 1HB ASN 24 -24.368 13.384 -3.485 195 HB3 ASN 24 2HB ASN 24 -25.661 13.824 -2.373 196 HD21 ASN 24 2HD2 ASN 24 -24.763 11.208 -3.390 197 HD22 ASN 24 1HD2 ASN 24 -26.168 10.475 -4.078 198 H LYS 25 H LYS 25 -23.598 16.328 -4.089 199 HA LYS 25 HA LYS 25 -24.467 17.880 -1.785 200 HB2 LYS 25 1HB LYS 25 -21.990 16.950 -2.683 201 HB3 LYS 25 2HB LYS 25 -21.930 18.689 -2.936 202 HG2 LYS 25 1HG LYS 25 -21.040 18.145 -0.767 203 HG3 LYS 25 2HG LYS 25 -22.553 19.035 -0.583 204 HD2 LYS 25 1HD LYS 25 -23.654 17.248 0.291 205 HD3 LYS 25 2HD LYS 25 -22.739 16.080 -0.666 206 HE2 LYS 25 1HE LYS 25 -20.882 16.200 0.802 207 HE3 LYS 25 2HE LYS 25 -21.533 17.619 1.621 208 HZ1 LYS 25 3HZ LYS 25 -23.479 16.016 2.167 209 HZ2 LYS 25 1HZ LYS 25 -22.057 15.948 3.080 210 HZ3 LYS 25 2HZ LYS 25 -22.339 14.804 1.866 211 H ILE 26 H ILE 26 -24.309 18.156 -5.195 212 HA ILE 26 HA ILE 26 -24.320 21.057 -5.204 213 HB ILE 26 HB ILE 26 -23.250 19.558 -7.001 214 HG12 ILE 26 1HG1 ILE 26 -23.870 21.195 -8.799 215 HG13 ILE 26 2HG1 ILE 26 -25.099 21.843 -7.718 216 HG21 ILE 26 1HG2 ILE 26 -24.540 18.545 -8.604 217 HG22 ILE 26 2HG2 ILE 26 -25.552 18.315 -7.179 218 HG23 ILE 26 3HG2 ILE 26 -25.919 19.607 -8.323 219 HD11 ILE 26 3HD1 ILE 26 -22.640 21.787 -6.313 220 HD12 ILE 26 1HD1 ILE 26 -22.360 22.521 -7.892 221 HD13 ILE 26 2HD1 ILE 26 -23.594 23.182 -6.819 222 H ILE 27 H ILE 27 -26.585 18.432 -5.318 223 HA ILE 27 HA ILE 27 -28.776 20.002 -6.323 224 HB ILE 27 HB ILE 27 -30.168 18.038 -5.669 225 HG12 ILE 27 1HG1 ILE 27 -28.122 16.118 -5.266 226 HG13 ILE 27 2HG1 ILE 27 -27.825 17.429 -4.129 227 HG21 ILE 27 1HG2 ILE 27 -27.885 17.977 -7.533 228 HG22 ILE 27 2HG2 ILE 27 -28.645 16.423 -7.190 229 HG23 ILE 27 3HG2 ILE 27 -29.608 17.752 -7.837 230 HD11 ILE 27 3HD1 ILE 27 -29.999 17.184 -3.180 231 HD12 ILE 27 1HD1 ILE 27 -30.469 16.030 -4.428 232 HD13 ILE 27 2HD1 ILE 27 -29.239 15.594 -3.242 233 H SER 28 H SER 28 -27.494 19.130 -3.194 234 HA SER 28 HA SER 28 -29.820 20.090 -1.765 235 HB2 SER 28 1HB SER 28 -28.631 18.235 -0.787 236 HB3 SER 28 2HB SER 28 -27.110 19.127 -0.825 237 HG SER 28 HG SER 28 -27.685 19.625 1.145 238 H GLU 29 H GLU 29 -26.400 21.062 -2.024 239 HA GLU 29 HA GLU 29 -26.591 23.416 -0.536 240 HB2 GLU 29 1HB GLU 29 -24.532 22.132 -1.594 241 HB3 GLU 29 2HB GLU 29 -24.753 23.304 -2.885 242 HG2 GLU 29 1HG GLU 29 -23.100 24.086 -1.310 243 HG3 GLU 29 2HG GLU 29 -24.523 25.125 -1.271 244 H ALA 30 H ALA 30 -27.671 22.688 -3.722 245 HA ALA 30 HA ALA 30 -27.843 25.451 -4.567 246 HB1 ALA 30 1HB ALA 30 -29.017 24.460 -6.554 247 HB2 ALA 30 2HB ALA 30 -27.373 23.879 -6.285 248 HB3 ALA 30 3HB ALA 30 -28.748 22.873 -5.830 249 H GLU 31 H GLU 31 -30.320 22.889 -4.357 250 HA GLU 31 HA GLU 31 -32.543 24.514 -4.404 251 HB2 GLU 31 1HB GLU 31 -33.790 22.678 -3.577 252 HB3 GLU 31 2HB GLU 31 -32.462 21.982 -4.495 253 HG2 GLU 31 1HG GLU 31 -31.236 21.682 -2.339 254 HG3 GLU 31 2HG GLU 31 -32.708 22.180 -1.506 255 H ALA 32 H ALA 32 -30.391 23.826 -1.747 256 HA ALA 32 HA ALA 32 -32.064 24.796 0.334 257 HB1 ALA 32 1HB ALA 32 -30.057 24.781 1.705 258 HB2 ALA 32 2HB ALA 32 -30.162 23.303 0.747 259 HB3 ALA 32 3HB ALA 32 -29.056 24.589 0.265 260 H GLU 33 H GLU 33 -29.022 26.262 -0.807 261 HA GLU 33 HA GLU 33 -29.447 28.779 0.259 262 HB2 GLU 33 1HB GLU 33 -27.668 27.602 -1.739 263 HB3 GLU 33 2HB GLU 33 -28.015 29.298 -2.047 264 HG2 GLU 33 1HG GLU 33 -27.385 29.714 0.374 265 HG3 GLU 33 2HG GLU 33 -26.747 28.071 0.379 266 H LYS 34 H LYS 34 -30.616 27.404 -2.741 267 HA LYS 34 HA LYS 34 -31.460 29.777 -3.992 268 HB2 LYS 34 1HB LYS 34 -31.328 27.802 -5.311 269 HB3 LYS 34 2HB LYS 34 -32.388 26.918 -4.221 270 HG2 LYS 34 1HG LYS 34 -34.247 28.404 -4.881 271 HG3 LYS 34 2HG LYS 34 -33.169 29.186 -6.041 272 HD2 LYS 34 1HD LYS 34 -33.128 27.364 -7.437 273 HD3 LYS 34 2HD LYS 34 -33.454 26.222 -6.131 274 HE2 LYS 34 1HE LYS 34 -35.709 26.512 -6.259 275 HE3 LYS 34 2HE LYS 34 -35.574 28.191 -6.779 276 HZ1 LYS 34 3HZ LYS 34 -35.160 25.768 -8.442 277 HZ2 LYS 34 1HZ LYS 34 -34.813 27.340 -8.963 278 HZ3 LYS 34 2HZ LYS 34 -36.404 26.906 -8.586 279 H ALA 35 H ALA 35 -33.553 27.343 -2.434 280 HA ALA 35 HA ALA 35 -35.822 28.961 -2.283 281 HB1 ALA 35 1HB ALA 35 -36.548 27.351 -0.478 282 HB2 ALA 35 2HB ALA 35 -36.096 26.627 -2.022 283 HB3 ALA 35 3HB ALA 35 -34.975 26.574 -0.662 284 H LYS 36 H LYS 36 -32.944 29.041 -0.447 285 HA LYS 36 HA LYS 36 -34.102 30.280 1.889 286 HB2 LYS 36 1HB LYS 36 -31.995 28.829 1.832 287 HB3 LYS 36 2HB LYS 36 -31.179 30.233 1.155 288 HG2 LYS 36 1HG LYS 36 -31.195 31.364 3.117 289 HG3 LYS 36 2HG LYS 36 -32.721 30.652 3.644 290 HD2 LYS 36 1HD LYS 36 -31.064 29.769 5.078 291 HD3 LYS 36 2HD LYS 36 -31.450 28.479 3.936 292 HE2 LYS 36 1HE LYS 36 -29.364 30.067 2.831 293 HE3 LYS 36 2HE LYS 36 -28.930 29.660 4.490 294 HZ1 LYS 36 3HZ LYS 36 -28.847 28.021 2.213 295 HZ2 LYS 36 1HZ LYS 36 -29.968 27.364 3.297 296 HZ3 LYS 36 2HZ LYS 36 -28.377 27.649 3.795 297 H ILE 37 H ILE 37 -31.980 31.340 -0.767 298 HA ILE 37 HA ILE 37 -32.075 34.088 0.025 299 HB ILE 37 HB ILE 37 -30.828 34.571 -1.957 300 HG12 ILE 37 1HG1 ILE 37 -31.569 31.781 -2.865 301 HG13 ILE 37 2HG1 ILE 37 -32.133 33.292 -3.570 302 HG21 ILE 37 1HG2 ILE 37 -29.017 33.690 -1.026 303 HG22 ILE 37 2HG2 ILE 37 -30.052 32.625 -0.076 304 HG23 ILE 37 3HG2 ILE 37 -29.440 32.093 -1.642 305 HD11 ILE 37 3HD1 ILE 37 -30.475 32.576 -5.023 306 HD12 ILE 37 1HD1 ILE 37 -29.656 33.771 -4.017 307 HD13 ILE 37 2HD1 ILE 37 -29.418 32.050 -3.713 308 H LEU 38 H LEU 38 -33.928 32.047 -2.103 309 HA LEU 38 HA LEU 38 -35.152 34.047 -3.664 310 HB2 LEU 38 1HB LEU 38 -35.604 31.201 -3.078 311 HB3 LEU 38 2HB LEU 38 -37.039 32.102 -3.563 312 HG LEU 38 HG LEU 38 -36.046 31.005 -5.477 313 HD11 LEU 38 1HD1 LEU 38 -36.757 32.746 -6.647 314 HD12 LEU 38 2HD1 LEU 38 -35.203 33.540 -6.400 315 HD13 LEU 38 3HD1 LEU 38 -36.518 33.803 -5.256 316 HD21 LEU 38 3HD2 LEU 38 -33.561 32.424 -4.574 317 HD22 LEU 38 1HD2 LEU 38 -33.772 31.899 -6.245 318 HD23 LEU 38 2HD2 LEU 38 -33.791 30.713 -4.938 319 H GLU 39 H GLU 39 -36.001 32.606 -0.556 320 HA GLU 39 HA GLU 39 -38.412 34.225 -0.373 321 HB2 GLU 39 1HB GLU 39 -37.419 31.811 0.878 322 HB3 GLU 39 2HB GLU 39 -37.977 32.960 2.086 323 HG2 GLU 39 1HG GLU 39 -39.963 33.019 0.176 324 HG3 GLU 39 2HG GLU 39 -39.490 31.322 0.235 325 H LYS 40 H LYS 40 -35.165 34.105 0.906 326 HA LYS 40 HA LYS 40 -35.581 36.001 2.998 327 HB2 LYS 40 1HB LYS 40 -33.728 34.388 3.047 328 HB3 LYS 40 2HB LYS 40 -33.024 35.148 1.625 329 HG2 LYS 40 1HG LYS 40 -32.105 36.802 2.815 330 HG3 LYS 40 2HG LYS 40 -33.531 36.993 3.837 331 HD2 LYS 40 1HD LYS 40 -32.810 35.435 5.366 332 HD3 LYS 40 2HD LYS 40 -31.825 34.572 4.182 333 HE2 LYS 40 1HE LYS 40 -30.303 36.571 4.148 334 HE3 LYS 40 2HE LYS 40 -31.221 37.208 5.512 335 HZ1 LYS 40 3HZ LYS 40 -30.278 34.486 5.818 336 HZ2 LYS 40 1HZ LYS 40 -30.280 35.764 6.927 337 HZ3 LYS 40 2HZ LYS 40 -29.061 35.660 5.758 338 H ALA 41 H ALA 41 -34.234 36.203 -0.281 339 HA ALA 41 HA ALA 41 -33.669 38.984 -0.159 340 HB1 ALA 41 1HB ALA 41 -34.122 37.312 -2.626 341 HB2 ALA 41 2HB ALA 41 -33.245 38.839 -2.516 342 HB3 ALA 41 3HB ALA 41 -32.599 37.392 -1.741 343 H LYS 42 H LYS 42 -36.260 37.177 -1.817 344 HA LYS 42 HA LYS 42 -37.699 39.341 -2.779 345 HB2 LYS 42 1HB LYS 42 -38.577 36.594 -1.904 346 HB3 LYS 42 2HB LYS 42 -39.702 37.755 -2.596 347 HG2 LYS 42 1HG LYS 42 -38.342 37.851 -4.631 348 HG3 LYS 42 2HG LYS 42 -37.235 36.664 -3.937 349 HD2 LYS 42 1HD LYS 42 -38.630 34.944 -4.346 350 HD3 LYS 42 2HD LYS 42 -40.065 35.875 -3.909 351 HE2 LYS 42 1HE LYS 42 -38.587 36.402 -6.465 352 HE3 LYS 42 2HE LYS 42 -39.784 35.112 -6.355 353 HZ1 LYS 42 3HZ LYS 42 -40.598 37.722 -5.359 354 HZ2 LYS 42 1HZ LYS 42 -41.479 36.573 -6.233 355 HZ3 LYS 42 2HZ LYS 42 -40.395 37.594 -7.033 356 H GLU 43 H GLU 43 -37.512 38.053 0.446 357 HA GLU 43 HA GLU 43 -39.804 39.564 1.379 358 HB2 GLU 43 1HB GLU 43 -39.436 37.404 2.384 359 HB3 GLU 43 2HB GLU 43 -37.788 37.836 2.817 360 HG2 GLU 43 1HG GLU 43 -38.489 39.295 4.503 361 HG3 GLU 43 2HG GLU 43 -40.139 39.352 3.886 362 H GLU 44 H GLU 44 -36.379 39.438 2.378 363 HA GLU 44 HA GLU 44 -36.325 41.736 3.895 364 HB2 GLU 44 1HB GLU 44 -33.956 41.717 3.674 365 HB3 GLU 44 2HB GLU 44 -34.480 40.039 3.633 366 HG2 GLU 44 1HG GLU 44 -34.449 40.357 1.061 367 HG3 GLU 44 2HG GLU 44 -33.418 41.740 1.424 368 H ALA 45 H ALA 45 -36.115 41.399 0.406 369 HA ALA 45 HA ALA 45 -35.422 44.131 -0.085 370 HB1 ALA 45 1HB ALA 45 -34.816 42.454 -1.701 371 HB2 ALA 45 2HB ALA 45 -36.506 41.998 -1.919 372 HB3 ALA 45 3HB ALA 45 -35.947 43.586 -2.444 373 H GLU 46 H GLU 46 -38.429 42.261 -0.143 374 HA GLU 46 HA GLU 46 -40.068 44.368 -1.094 375 HB2 GLU 46 1HB GLU 46 -40.536 41.714 0.182 376 HB3 GLU 46 2HB GLU 46 -41.868 42.861 0.146 377 HG2 GLU 46 1HG GLU 46 -40.343 42.162 -2.334 378 HG3 GLU 46 2HG GLU 46 -41.678 41.166 -1.756 379 H LYS 47 H LYS 47 -38.959 43.419 2.077 380 HA LYS 47 HA LYS 47 -40.786 45.190 3.455 381 HB2 LYS 47 1HB LYS 47 -40.272 43.252 4.684 382 HB3 LYS 47 2HB LYS 47 -38.554 43.373 4.326 383 HG2 LYS 47 1HG LYS 47 -39.764 45.594 5.861 384 HG3 LYS 47 2HG LYS 47 -39.591 44.041 6.683 385 HD2 LYS 47 1HD LYS 47 -37.184 44.605 5.257 386 HD3 LYS 47 2HD LYS 47 -37.616 46.017 6.226 387 HE2 LYS 47 1HE LYS 47 -36.429 44.833 7.776 388 HE3 LYS 47 2HE LYS 47 -38.039 44.179 8.074 389 HZ1 LYS 47 3HZ LYS 47 -35.912 42.659 7.655 390 HZ2 LYS 47 1HZ LYS 47 -36.449 42.814 6.058 391 HZ3 LYS 47 2HZ LYS 47 -37.479 42.178 7.239 392 H ARG 48 H ARG 48 -37.253 45.006 3.012 393 HA ARG 48 HA ARG 48 -36.716 47.510 4.208 394 HB2 ARG 48 1HB ARG 48 -34.997 45.788 3.963 395 HB3 ARG 48 2HB ARG 48 -35.088 45.927 2.212 396 HG2 ARG 48 1HG ARG 48 -34.322 48.268 2.393 397 HG3 ARG 48 2HG ARG 48 -34.143 48.041 4.134 398 HD2 ARG 48 1HD ARG 48 -32.731 45.934 3.252 399 HD3 ARG 48 2HD ARG 48 -32.485 47.041 1.902 400 HE ARG 48 HE ARG 48 -32.008 48.406 4.310 401 HH11 ARG 48 1HH1 ARG 48 -30.627 45.903 2.322 402 HH12 ARG 48 2HH1 ARG 48 -29.000 46.216 2.831 403 HH21 ARG 48 1HH2 ARG 48 -29.871 48.827 4.987 404 HH22 ARG 48 2HH2 ARG 48 -28.571 47.879 4.348 405 H LYS 49 H LYS 49 -36.677 46.565 0.766 406 HA LYS 49 HA LYS 49 -36.833 49.379 0.007 407 HB2 LYS 49 1HB LYS 49 -36.103 46.845 -1.382 408 HB3 LYS 49 2HB LYS 49 -36.747 48.159 -2.358 409 HG2 LYS 49 1HG LYS 49 -34.983 49.633 -1.580 410 HG3 LYS 49 2HG LYS 49 -34.354 48.354 -0.538 411 HD2 LYS 49 1HD LYS 49 -32.990 47.997 -2.311 412 HD3 LYS 49 2HD LYS 49 -34.366 47.050 -2.882 413 HE2 LYS 49 1HE LYS 49 -35.057 49.494 -3.785 414 HE3 LYS 49 2HE LYS 49 -33.300 49.628 -3.843 415 HZ1 LYS 49 3HZ LYS 49 -35.000 47.622 -5.212 416 HZ2 LYS 49 1HZ LYS 49 -33.316 47.490 -5.106 417 HZ3 LYS 49 2HZ LYS 49 -34.012 48.797 -5.923 418 H ALA 50 H ALA 50 -38.261 49.743 -2.043 419 HA ALA 50 HA ALA 50 -40.961 49.279 -1.243 420 HB1 ALA 50 1HB ALA 50 -40.064 51.329 -2.431 421 HB2 ALA 50 2HB ALA 50 -40.085 50.362 -3.906 422 HB3 ALA 50 3HB ALA 50 -41.587 50.675 -3.036 423 H GLU 51 H GLU 51 -42.608 48.492 -2.887 424 HA GLU 51 HA GLU 51 -41.643 45.951 -3.999 425 HB2 GLU 51 1HB GLU 51 -44.039 45.276 -3.948 426 HB3 GLU 51 2HB GLU 51 -43.383 45.660 -2.363 427 HG2 GLU 51 1HG GLU 51 -44.636 47.561 -2.145 428 HG3 GLU 51 2HG GLU 51 -44.779 47.798 -3.886 429 H ILE 52 H ILE 52 -40.862 47.650 -5.717 430 HA ILE 52 HA ILE 52 -40.981 48.386 -7.867 431 HB ILE 52 HB ILE 52 -43.364 46.558 -8.155 432 HG12 ILE 52 1HG1 ILE 52 -41.521 45.306 -7.161 433 HG13 ILE 52 2HG1 ILE 52 -41.738 44.827 -8.841 434 HG21 ILE 52 1HG2 ILE 52 -41.343 47.597 -10.136 435 HG22 ILE 52 2HG2 ILE 52 -42.598 46.412 -10.494 436 HG23 ILE 52 3HG2 ILE 52 -43.043 48.053 -10.028 437 HD11 ILE 52 3HD1 ILE 52 -39.857 46.245 -9.483 438 HD12 ILE 52 1HD1 ILE 52 -39.636 46.709 -7.797 439 HD13 ILE 52 2HD1 ILE 52 -39.390 45.034 -8.290 Start of MODEL 5 1 H1 MET 1 H MET 1 0.023 -7.266 2.697 2 HA MET 1 HA MET 1 -1.038 -6.188 0.965 3 HB2 MET 1 1HB MET 1 -2.135 -7.717 -0.533 4 HB3 MET 1 2HB MET 1 -0.797 -8.559 0.237 5 HG2 MET 1 1HG MET 1 -2.490 -9.471 1.877 6 HG3 MET 1 2HG MET 1 -3.731 -8.842 0.795 7 HE1 MET 1 3HE MET 1 -1.228 -12.548 0.478 8 HE2 MET 1 1HE MET 1 -1.242 -11.290 1.714 9 HE3 MET 1 2HE MET 1 -2.625 -12.371 1.542 10 H ALA 2 H ALA 2 -3.179 -5.617 -0.068 11 HA ALA 2 HA ALA 2 -5.597 -5.929 1.369 12 HB1 ALA 2 1HB ALA 2 -5.146 -4.464 3.018 13 HB2 ALA 2 2HB ALA 2 -3.875 -3.656 2.099 14 HB3 ALA 2 3HB ALA 2 -5.568 -3.265 1.795 15 H VAL 3 H VAL 3 -3.696 -3.975 -0.863 16 HA VAL 3 HA VAL 3 -6.018 -2.991 -2.264 17 HB VAL 3 HB VAL 3 -3.120 -2.869 -3.109 18 HG11 VAL 3 1HG1 VAL 3 -3.883 -1.941 -4.974 19 HG12 VAL 3 2HG1 VAL 3 -5.545 -2.123 -4.409 20 HG13 VAL 3 3HG1 VAL 3 -4.635 -0.663 -4.020 21 HG21 VAL 3 3HG2 VAL 3 -4.773 -1.018 -1.408 22 HG22 VAL 3 1HG2 VAL 3 -3.234 -1.783 -1.013 23 HG23 VAL 3 2HG2 VAL 3 -3.297 -0.502 -2.224 24 H LYS 4 H LYS 4 -3.744 -5.617 -2.581 25 HA LYS 4 HA LYS 4 -4.029 -6.325 -5.233 26 HB2 LYS 4 1HB LYS 4 -2.966 -7.500 -2.906 27 HB3 LYS 4 2HB LYS 4 -4.071 -8.690 -3.582 28 HG2 LYS 4 1HG LYS 4 -2.454 -9.290 -4.968 29 HG3 LYS 4 2HG LYS 4 -2.627 -7.723 -5.761 30 HD2 LYS 4 1HD LYS 4 -0.887 -8.154 -3.342 31 HD3 LYS 4 2HD LYS 4 -0.294 -8.329 -4.995 32 HE2 LYS 4 1HE LYS 4 -1.728 -5.834 -4.195 33 HE3 LYS 4 2HE LYS 4 -0.042 -6.054 -3.729 34 HZ1 LYS 4 3HZ LYS 4 0.646 -6.081 -5.927 35 HZ2 LYS 4 1HZ LYS 4 -0.554 -4.889 -5.932 36 HZ3 LYS 4 2HZ LYS 4 -0.896 -6.434 -6.527 37 H LEU 5 H LEU 5 -5.840 -7.891 -2.586 38 HA LEU 5 HA LEU 5 -7.739 -9.096 -4.262 39 HB2 LEU 5 1HB LEU 5 -7.327 -8.733 -1.405 40 HB3 LEU 5 2HB LEU 5 -9.033 -8.754 -1.849 41 HG LEU 5 HG LEU 5 -8.797 -10.952 -2.820 42 HD11 LEU 5 1HD1 LEU 5 -6.594 -12.155 -2.504 43 HD12 LEU 5 2HD1 LEU 5 -5.877 -10.570 -2.217 44 HD13 LEU 5 3HD1 LEU 5 -6.639 -10.926 -3.767 45 HD21 LEU 5 3HD2 LEU 5 -8.326 -12.228 -0.819 46 HD22 LEU 5 1HD2 LEU 5 -9.210 -10.761 -0.398 47 HD23 LEU 5 2HD2 LEU 5 -7.472 -10.856 -0.111 48 H MET 6 H MET 6 -8.554 -6.581 -1.883 49 HA MET 6 HA MET 6 -10.851 -5.764 -3.354 50 HB2 MET 6 1HB MET 6 -9.427 -4.524 -0.997 51 HB3 MET 6 2HB MET 6 -10.937 -3.911 -1.658 52 HG2 MET 6 1HG MET 6 -11.764 -6.353 -1.276 53 HG3 MET 6 2HG MET 6 -10.410 -6.425 -0.151 54 HE1 MET 6 3HE MET 6 -11.636 -5.206 2.923 55 HE2 MET 6 1HE MET 6 -10.376 -5.916 1.913 56 HE3 MET 6 2HE MET 6 -10.450 -4.167 2.131 57 H GLY 7 H GLY 7 -9.894 -5.279 -5.424 58 HA2 GLY 7 1HA GLY 7 -8.448 -2.704 -5.468 59 HA3 GLY 7 2HA GLY 7 -8.289 -3.948 -6.699 60 H VAL 8 H VAL 8 -10.474 -4.536 -7.758 61 HA VAL 8 HA VAL 8 -11.390 -2.357 -9.202 62 HB VAL 8 HB VAL 8 -11.694 -4.678 -9.941 63 HG11 VAL 8 1HG1 VAL 8 -12.616 -5.188 -7.452 64 HG12 VAL 8 2HG1 VAL 8 -14.133 -5.094 -8.349 65 HG13 VAL 8 3HG1 VAL 8 -12.886 -6.240 -8.840 66 HG21 VAL 8 3HG2 VAL 8 -14.496 -3.827 -9.886 67 HG22 VAL 8 1HG2 VAL 8 -13.365 -2.570 -10.385 68 HG23 VAL 8 2HG2 VAL 8 -13.420 -4.102 -11.255 69 H ASP 9 H ASP 9 -12.559 -3.687 -6.178 70 HA ASP 9 HA ASP 9 -15.016 -2.278 -6.095 71 HB2 ASP 9 1HB ASP 9 -13.340 -3.756 -4.119 72 HB3 ASP 9 2HB ASP 9 -14.596 -2.685 -3.505 73 H LYS 10 H LYS 10 -11.739 -1.433 -5.302 74 HA LYS 10 HA LYS 10 -12.406 0.887 -3.751 75 HB2 LYS 10 1HB LYS 10 -9.819 0.007 -5.043 76 HB3 LYS 10 2HB LYS 10 -9.972 1.416 -4.000 77 HG2 LYS 10 1HG LYS 10 -10.724 -1.349 -3.101 78 HG3 LYS 10 2HG LYS 10 -9.093 -0.696 -2.930 79 HD2 LYS 10 1HD LYS 10 -10.328 1.311 -1.802 80 HD3 LYS 10 2HD LYS 10 -11.625 0.135 -1.577 81 HE2 LYS 10 1HE LYS 10 -10.278 0.105 0.389 82 HE3 LYS 10 2HE LYS 10 -9.947 -1.379 -0.502 83 HZ1 LYS 10 3HZ LYS 10 -8.137 0.598 0.314 84 HZ2 LYS 10 1HZ LYS 10 -8.152 0.572 -1.378 85 HZ3 LYS 10 2HZ LYS 10 -7.815 -0.842 -0.514 86 H ILE 11 H ILE 11 -11.111 0.384 -7.031 87 HA ILE 11 HA ILE 11 -11.169 3.119 -7.755 88 HB ILE 11 HB ILE 11 -10.966 2.304 -10.089 89 HG12 ILE 11 1HG1 ILE 11 -10.498 -0.316 -10.084 90 HG13 ILE 11 2HG1 ILE 11 -11.641 -0.272 -8.746 91 HG21 ILE 11 1HG2 ILE 11 -9.065 2.460 -8.338 92 HG22 ILE 11 2HG2 ILE 11 -9.085 0.699 -8.407 93 HG23 ILE 11 3HG2 ILE 11 -8.760 1.635 -9.866 94 HD11 ILE 11 3HD1 ILE 11 -12.198 -0.339 -11.487 95 HD12 ILE 11 1HD1 ILE 11 -13.338 -0.159 -10.154 96 HD13 ILE 11 2HD1 ILE 11 -12.655 1.270 -10.929 97 H LYS 12 H LYS 12 -13.506 0.506 -8.025 98 HA LYS 12 HA LYS 12 -15.341 1.946 -9.672 99 HB2 LYS 12 1HB LYS 12 -15.435 -0.445 -9.713 100 HB3 LYS 12 2HB LYS 12 -15.630 -0.527 -7.967 101 HG2 LYS 12 1HG LYS 12 -17.686 0.970 -9.477 102 HG3 LYS 12 2HG LYS 12 -17.662 -0.785 -9.663 103 HD2 LYS 12 1HD LYS 12 -17.441 0.241 -6.901 104 HD3 LYS 12 2HD LYS 12 -18.995 0.483 -7.701 105 HE2 LYS 12 1HE LYS 12 -17.559 -2.156 -7.434 106 HE3 LYS 12 2HE LYS 12 -18.906 -1.624 -6.429 107 HZ1 LYS 12 3HZ LYS 12 -19.942 -1.310 -8.860 108 HZ2 LYS 12 1HZ LYS 12 -20.098 -2.733 -7.958 109 HZ3 LYS 12 2HZ LYS 12 -18.909 -2.617 -9.155 110 H SER 13 H SER 13 -14.734 1.751 -6.264 111 HA SER 13 HA SER 13 -17.265 3.022 -5.587 112 HB2 SER 13 1HB SER 13 -16.613 2.711 -3.277 113 HB3 SER 13 2HB SER 13 -16.307 1.210 -4.153 114 HG SER 13 HG SER 13 -14.532 1.734 -2.856 115 H LYS 14 H LYS 14 -13.940 3.829 -6.095 116 HA LYS 14 HA LYS 14 -13.787 6.233 -4.653 117 HB2 LYS 14 1HB LYS 14 -11.978 4.817 -5.980 118 HB3 LYS 14 2HB LYS 14 -12.354 5.966 -7.257 119 HG2 LYS 14 1HG LYS 14 -11.309 6.585 -4.504 120 HG3 LYS 14 2HG LYS 14 -10.457 6.761 -6.041 121 HD2 LYS 14 1HD LYS 14 -12.928 8.288 -5.219 122 HD3 LYS 14 2HD LYS 14 -11.279 8.915 -5.189 123 HE2 LYS 14 1HE LYS 14 -11.856 7.796 -7.767 124 HE3 LYS 14 2HE LYS 14 -13.108 8.956 -7.326 125 HZ1 LYS 14 3HZ LYS 14 -10.200 9.414 -7.594 126 HZ2 LYS 14 1HZ LYS 14 -11.191 10.488 -6.741 127 HZ3 LYS 14 2HZ LYS 14 -11.467 10.206 -8.385 128 H ILE 15 H ILE 15 -14.064 5.961 -8.199 129 HA ILE 15 HA ILE 15 -14.874 8.608 -8.605 130 HB ILE 15 HB ILE 15 -15.597 6.281 -10.382 131 HG12 ILE 15 1HG1 ILE 15 -13.271 7.609 -11.311 132 HG13 ILE 15 2HG1 ILE 15 -13.006 7.237 -9.611 133 HG21 ILE 15 1HG2 ILE 15 -15.574 7.911 -12.161 134 HG22 ILE 15 2HG2 ILE 15 -16.660 8.454 -10.883 135 HG23 ILE 15 3HG2 ILE 15 -15.057 9.172 -11.042 136 HD11 ILE 15 3HD1 ILE 15 -13.079 5.478 -11.924 137 HD12 ILE 15 1HD1 ILE 15 -12.341 5.245 -10.340 138 HD13 ILE 15 2HD1 ILE 15 -14.056 4.901 -10.574 139 H LEU 16 H LEU 16 -16.760 5.657 -8.131 140 HA LEU 16 HA LEU 16 -19.296 6.706 -8.681 141 HB2 LEU 16 1HB LEU 16 -18.752 4.302 -8.421 142 HB3 LEU 16 2HB LEU 16 -18.596 4.559 -6.684 143 HG LEU 16 HG LEU 16 -20.944 5.047 -6.492 144 HD11 LEU 16 1HD1 LEU 16 -21.968 6.010 -8.213 145 HD12 LEU 16 2HD1 LEU 16 -22.069 4.409 -8.946 146 HD13 LEU 16 3HD1 LEU 16 -20.723 5.477 -9.343 147 HD21 LEU 16 3HD2 LEU 16 -21.457 2.882 -6.432 148 HD22 LEU 16 1HD2 LEU 16 -19.884 2.579 -7.170 149 HD23 LEU 16 2HD2 LEU 16 -21.319 2.726 -8.184 150 H ASP 17 H ASP 17 -17.742 6.221 -5.505 151 HA ASP 17 HA ASP 17 -19.729 7.600 -4.047 152 HB2 ASP 17 1HB ASP 17 -18.017 5.961 -3.135 153 HB3 ASP 17 2HB ASP 17 -16.846 7.274 -3.213 154 H ASP 18 H ASP 18 -16.698 8.623 -5.521 155 HA ASP 18 HA ASP 18 -16.566 11.195 -4.392 156 HB2 ASP 18 1HB ASP 18 -14.699 10.059 -5.596 157 HB3 ASP 18 2HB ASP 18 -15.554 10.338 -7.110 158 H ALA 19 H ALA 19 -17.739 10.204 -7.613 159 HA ALA 19 HA ALA 19 -18.737 12.732 -8.338 160 HB1 ALA 19 1HB ALA 19 -20.019 11.487 -10.063 161 HB2 ALA 19 2HB ALA 19 -18.305 11.076 -10.020 162 HB3 ALA 19 3HB ALA 19 -19.492 9.981 -9.311 163 H LYS 20 H LYS 20 -20.186 10.024 -6.626 164 HA LYS 20 HA LYS 20 -22.855 10.981 -6.683 165 HB2 LYS 20 1HB LYS 20 -21.369 8.941 -5.075 166 HB3 LYS 20 2HB LYS 20 -22.978 9.433 -4.560 167 HG2 LYS 20 1HG LYS 20 -23.960 8.654 -6.565 168 HG3 LYS 20 2HG LYS 20 -22.386 8.448 -7.337 169 HD2 LYS 20 1HD LYS 20 -23.266 6.293 -6.659 170 HD3 LYS 20 2HD LYS 20 -21.839 6.690 -5.699 171 HE2 LYS 20 1HE LYS 20 -23.241 7.382 -3.848 172 HE3 LYS 20 2HE LYS 20 -24.692 7.102 -4.810 173 HZ1 LYS 20 3HZ LYS 20 -23.937 5.306 -3.161 174 HZ2 LYS 20 1HZ LYS 20 -22.774 4.916 -4.327 175 HZ3 LYS 20 2HZ LYS 20 -24.419 4.823 -4.709 176 H ALA 21 H ALA 21 -20.233 11.270 -4.314 177 HA ALA 21 HA ALA 21 -21.733 12.669 -2.367 178 HB1 ALA 21 1HB ALA 21 -19.570 11.482 -1.967 179 HB2 ALA 21 2HB ALA 21 -18.753 12.817 -2.781 180 HB3 ALA 21 3HB ALA 21 -19.649 13.109 -1.290 181 H GLU 22 H GLU 22 -19.573 13.768 -4.963 182 HA GLU 22 HA GLU 22 -19.675 16.507 -4.383 183 HB2 GLU 22 1HB GLU 22 -19.131 14.955 -6.898 184 HB3 GLU 22 2HB GLU 22 -19.174 16.712 -6.915 185 HG2 GLU 22 1HG GLU 22 -17.491 16.482 -4.934 186 HG3 GLU 22 2HG GLU 22 -17.226 14.877 -5.611 187 H ALA 23 H ALA 23 -21.804 14.445 -6.282 188 HA ALA 23 HA ALA 23 -23.408 16.645 -7.227 189 HB1 ALA 23 1HB ALA 23 -24.204 13.751 -7.300 190 HB2 ALA 23 2HB ALA 23 -24.671 15.053 -8.395 191 HB3 ALA 23 3HB ALA 23 -23.024 14.425 -8.424 192 H ASN 24 H ASN 24 -23.326 14.623 -4.448 193 HA ASN 24 HA ASN 24 -26.098 15.055 -3.739 194 HB2 ASN 24 1HB ASN 24 -23.834 13.477 -2.675 195 HB3 ASN 24 2HB ASN 24 -24.984 14.062 -1.476 196 HD21 ASN 24 2HD2 ASN 24 -24.350 11.355 -2.591 197 HD22 ASN 24 1HD2 ASN 24 -25.880 10.715 -3.073 198 H LYS 25 H LYS 25 -23.019 16.517 -3.136 199 HA LYS 25 HA LYS 25 -24.016 18.087 -0.897 200 HB2 LYS 25 1HB LYS 25 -21.481 17.180 -1.688 201 HB3 LYS 25 2HB LYS 25 -21.436 18.926 -1.896 202 HG2 LYS 25 1HG LYS 25 -20.650 18.289 0.309 203 HG3 LYS 25 2HG LYS 25 -22.141 19.227 0.420 204 HD2 LYS 25 1HD LYS 25 -23.348 17.468 1.202 205 HD3 LYS 25 2HD LYS 25 -22.425 16.284 0.274 206 HE2 LYS 25 1HE LYS 25 -20.508 16.744 1.871 207 HE3 LYS 25 2HE LYS 25 -21.675 17.612 2.867 208 HZ1 LYS 25 3HZ LYS 25 -21.810 15.545 3.778 209 HZ2 LYS 25 1HZ LYS 25 -21.461 14.742 2.331 210 HZ3 LYS 25 2HZ LYS 25 -23.003 15.387 2.589 211 H ILE 26 H ILE 26 -23.684 18.327 -4.297 212 HA ILE 26 HA ILE 26 -23.712 21.227 -4.340 213 HB ILE 26 HB ILE 26 -22.545 19.716 -6.064 214 HG12 ILE 26 1HG1 ILE 26 -23.085 21.326 -7.911 215 HG13 ILE 26 2HG1 ILE 26 -24.371 21.978 -6.900 216 HG21 ILE 26 1HG2 ILE 26 -25.147 19.729 -7.515 217 HG22 ILE 26 2HG2 ILE 26 -23.748 18.677 -7.720 218 HG23 ILE 26 3HG2 ILE 26 -24.826 18.452 -6.343 219 HD11 ILE 26 3HD1 ILE 26 -21.982 21.956 -5.377 220 HD12 ILE 26 1HD1 ILE 26 -21.633 22.676 -6.948 221 HD13 ILE 26 2HD1 ILE 26 -22.922 23.337 -5.940 222 H ILE 27 H ILE 27 -25.954 18.587 -4.542 223 HA ILE 27 HA ILE 27 -28.100 20.129 -5.675 224 HB ILE 27 HB ILE 27 -29.513 18.167 -5.057 225 HG12 ILE 27 1HG1 ILE 27 -27.473 16.270 -4.526 226 HG13 ILE 27 2HG1 ILE 27 -27.249 17.598 -3.393 227 HG21 ILE 27 1HG2 ILE 27 -27.100 18.023 -6.773 228 HG22 ILE 27 2HG2 ILE 27 -27.998 16.531 -6.498 229 HG23 ILE 27 3HG2 ILE 27 -28.807 17.928 -7.205 230 HD11 ILE 27 3HD1 ILE 27 -29.409 17.319 -2.495 231 HD12 ILE 27 1HD1 ILE 27 -29.896 16.246 -3.807 232 HD13 ILE 27 2HD1 ILE 27 -28.710 15.705 -2.619 233 H SER 28 H SER 28 -26.985 19.295 -2.469 234 HA SER 28 HA SER 28 -29.379 20.265 -1.173 235 HB2 SER 28 1HB SER 28 -26.772 19.119 -0.238 236 HB3 SER 28 2HB SER 28 -27.797 19.988 0.903 237 HG SER 28 HG SER 28 -29.412 18.511 0.568 238 H GLU 29 H GLU 29 -25.959 21.270 -1.261 239 HA GLU 29 HA GLU 29 -26.251 23.648 0.165 240 HB2 GLU 29 1HB GLU 29 -24.132 22.362 -0.796 241 HB3 GLU 29 2HB GLU 29 -24.297 23.548 -2.084 242 HG2 GLU 29 1HG GLU 29 -24.512 24.914 0.389 243 HG3 GLU 29 2HG GLU 29 -23.107 23.853 0.469 244 H ALA 30 H ALA 30 -27.150 22.855 -3.066 245 HA ALA 30 HA ALA 30 -27.310 25.598 -3.968 246 HB1 ALA 30 1HB ALA 30 -28.063 22.964 -5.201 247 HB2 ALA 30 2HB ALA 30 -28.449 24.506 -5.965 248 HB3 ALA 30 3HB ALA 30 -26.767 24.067 -5.665 249 H GLU 31 H GLU 31 -29.783 23.027 -3.837 250 HA GLU 31 HA GLU 31 -32.007 24.642 -4.009 251 HB2 GLU 31 1HB GLU 31 -31.803 22.110 -2.371 252 HB3 GLU 31 2HB GLU 31 -33.273 22.811 -3.032 253 HG2 GLU 31 1HG GLU 31 -31.256 22.324 -5.064 254 HG3 GLU 31 2HG GLU 31 -31.729 20.861 -4.201 255 H ALA 32 H ALA 32 -29.968 24.017 -1.254 256 HA ALA 32 HA ALA 32 -31.745 24.995 0.738 257 HB1 ALA 32 1HB ALA 32 -28.784 24.512 0.669 258 HB2 ALA 32 2HB ALA 32 -29.581 25.214 2.078 259 HB3 ALA 32 3HB ALA 32 -30.033 23.603 1.520 260 H GLU 33 H GLU 33 -28.661 26.464 -0.279 261 HA GLU 33 HA GLU 33 -29.145 28.991 0.734 262 HB2 GLU 33 1HB GLU 33 -27.408 27.975 -1.486 263 HB3 GLU 33 2HB GLU 33 -27.535 29.705 -1.202 264 HG2 GLU 33 1HG GLU 33 -26.818 29.335 1.133 265 HG3 GLU 33 2HG GLU 33 -26.593 27.627 0.759 266 H LYS 34 H LYS 34 -29.930 27.692 -2.462 267 HA LYS 34 HA LYS 34 -30.827 30.037 -3.671 268 HB2 LYS 34 1HB LYS 34 -30.506 28.096 -5.018 269 HB3 LYS 34 2HB LYS 34 -31.639 27.157 -4.054 270 HG2 LYS 34 1HG LYS 34 -33.461 28.645 -4.842 271 HG3 LYS 34 2HG LYS 34 -32.295 29.442 -5.901 272 HD2 LYS 34 1HD LYS 34 -32.568 26.474 -6.024 273 HD3 LYS 34 2HD LYS 34 -33.804 27.479 -6.785 274 HE2 LYS 34 1HE LYS 34 -30.942 28.088 -7.330 275 HE3 LYS 34 2HE LYS 34 -31.661 26.678 -8.106 276 HZ1 LYS 34 3HZ LYS 34 -32.673 29.465 -8.284 277 HZ2 LYS 34 1HZ LYS 34 -33.391 28.116 -9.009 278 HZ3 LYS 34 2HZ LYS 34 -31.857 28.626 -9.505 279 H ALA 35 H ALA 35 -32.877 27.496 -2.225 280 HA ALA 35 HA ALA 35 -35.259 28.949 -2.277 281 HB1 ALA 35 1HB ALA 35 -34.433 26.770 -0.362 282 HB2 ALA 35 2HB ALA 35 -36.083 27.335 -0.625 283 HB3 ALA 35 3HB ALA 35 -35.203 26.544 -1.933 284 H LYS 36 H LYS 36 -32.516 29.323 -0.288 285 HA LYS 36 HA LYS 36 -33.910 30.548 1.926 286 HB2 LYS 36 1HB LYS 36 -31.735 29.253 2.110 287 HB3 LYS 36 2HB LYS 36 -30.947 30.635 1.360 288 HG2 LYS 36 1HG LYS 36 -31.857 32.042 3.228 289 HG3 LYS 36 2HG LYS 36 -32.364 30.542 4.010 290 HD2 LYS 36 1HD LYS 36 -30.240 31.179 4.919 291 HD3 LYS 36 2HD LYS 36 -29.996 29.764 3.893 292 HE2 LYS 36 1HE LYS 36 -29.008 31.033 2.189 293 HE3 LYS 36 2HE LYS 36 -29.628 32.550 2.838 294 HZ1 LYS 36 3HZ LYS 36 -28.160 31.970 4.851 295 HZ2 LYS 36 1HZ LYS 36 -27.420 32.579 3.457 296 HZ3 LYS 36 2HZ LYS 36 -27.364 30.921 3.788 297 H ILE 37 H ILE 37 -31.614 31.681 -0.556 298 HA ILE 37 HA ILE 37 -31.975 34.433 0.094 299 HB ILE 37 HB ILE 37 -30.788 34.853 -2.069 300 HG12 ILE 37 1HG1 ILE 37 -30.016 32.036 -2.361 301 HG13 ILE 37 2HG1 ILE 37 -31.702 32.354 -2.756 302 HG21 ILE 37 1HG2 ILE 37 -29.629 34.532 0.104 303 HG22 ILE 37 2HG2 ILE 37 -29.430 32.827 -0.299 304 HG23 ILE 37 3HG2 ILE 37 -28.657 34.064 -1.291 305 HD11 ILE 37 3HD1 ILE 37 -30.993 34.072 -4.346 306 HD12 ILE 37 1HD1 ILE 37 -29.308 33.719 -3.963 307 HD13 ILE 37 2HD1 ILE 37 -30.315 32.490 -4.730 308 H LEU 38 H LEU 38 -33.525 32.205 -2.094 309 HA LEU 38 HA LEU 38 -34.784 34.099 -3.772 310 HB2 LEU 38 1HB LEU 38 -35.076 31.218 -3.187 311 HB3 LEU 38 2HB LEU 38 -36.486 32.022 -3.874 312 HG LEU 38 HG LEU 38 -35.109 30.922 -5.582 313 HD11 LEU 38 1HD1 LEU 38 -35.795 33.755 -5.543 314 HD12 LEU 38 2HD1 LEU 38 -36.108 32.527 -6.769 315 HD13 LEU 38 3HD1 LEU 38 -34.549 33.350 -6.723 316 HD21 LEU 38 3HD2 LEU 38 -32.988 32.697 -4.434 317 HD22 LEU 38 1HD2 LEU 38 -32.912 32.170 -6.116 318 HD23 LEU 38 2HD2 LEU 38 -32.918 30.976 -4.817 319 H GLU 39 H GLU 39 -35.698 32.616 -0.711 320 HA GLU 39 HA GLU 39 -38.274 33.975 -0.726 321 HB2 GLU 39 1HB GLU 39 -37.057 31.754 0.767 322 HB3 GLU 39 2HB GLU 39 -38.065 32.814 1.743 323 HG2 GLU 39 1HG GLU 39 -39.113 31.811 -0.857 324 HG3 GLU 39 2HG GLU 39 -39.079 30.731 0.536 325 H LYS 40 H LYS 40 -35.115 34.244 0.702 326 HA LYS 40 HA LYS 40 -35.883 36.104 2.748 327 HB2 LYS 40 1HB LYS 40 -33.898 34.630 2.944 328 HB3 LYS 40 2HB LYS 40 -33.138 35.512 1.626 329 HG2 LYS 40 1HG LYS 40 -32.359 37.021 3.040 330 HG3 LYS 40 2HG LYS 40 -33.990 37.369 3.618 331 HD2 LYS 40 1HD LYS 40 -33.623 35.121 4.951 332 HD3 LYS 40 2HD LYS 40 -31.922 35.537 4.733 333 HE2 LYS 40 1HE LYS 40 -32.566 37.845 5.631 334 HE3 LYS 40 2HE LYS 40 -34.068 37.085 6.156 335 HZ1 LYS 40 3HZ LYS 40 -31.707 37.138 7.536 336 HZ2 LYS 40 1HZ LYS 40 -31.782 35.563 6.924 337 HZ3 LYS 40 2HZ LYS 40 -33.045 36.160 7.878 338 H ALA 41 H ALA 41 -34.266 36.359 -0.404 339 HA ALA 41 HA ALA 41 -33.952 39.177 -0.316 340 HB1 ALA 41 1HB ALA 41 -32.685 37.542 -1.777 341 HB2 ALA 41 2HB ALA 41 -34.106 37.523 -2.822 342 HB3 ALA 41 3HB ALA 41 -33.227 39.029 -2.556 343 H LYS 42 H LYS 42 -36.244 37.128 -2.127 344 HA LYS 42 HA LYS 42 -37.771 39.148 -3.253 345 HB2 LYS 42 1HB LYS 42 -38.510 36.359 -2.379 346 HB3 LYS 42 2HB LYS 42 -39.639 37.412 -3.222 347 HG2 LYS 42 1HG LYS 42 -36.990 37.073 -4.475 348 HG3 LYS 42 2HG LYS 42 -38.043 35.657 -4.461 349 HD2 LYS 42 1HD LYS 42 -39.728 37.716 -5.210 350 HD3 LYS 42 2HD LYS 42 -38.215 38.096 -6.036 351 HE2 LYS 42 1HE LYS 42 -39.398 36.733 -7.535 352 HE3 LYS 42 2HE LYS 42 -38.209 35.664 -6.793 353 HZ1 LYS 42 3HZ LYS 42 -39.795 34.452 -5.803 354 HZ2 LYS 42 1HZ LYS 42 -40.816 35.108 -6.982 355 HZ3 LYS 42 2HZ LYS 42 -40.762 35.791 -5.436 356 H GLU 43 H GLU 43 -37.779 37.894 -0.001 357 HA GLU 43 HA GLU 43 -40.248 39.225 0.711 358 HB2 GLU 43 1HB GLU 43 -39.747 37.117 1.787 359 HB3 GLU 43 2HB GLU 43 -38.206 37.734 2.365 360 HG2 GLU 43 1HG GLU 43 -40.251 39.478 3.273 361 HG3 GLU 43 2HG GLU 43 -40.736 37.822 3.630 362 H GLU 44 H GLU 44 -36.915 39.435 1.974 363 HA GLU 44 HA GLU 44 -37.193 41.754 3.436 364 HB2 GLU 44 1HB GLU 44 -34.821 41.952 3.398 365 HB3 GLU 44 2HB GLU 44 -35.187 40.233 3.364 366 HG2 GLU 44 1HG GLU 44 -34.974 40.481 0.801 367 HG3 GLU 44 2HG GLU 44 -34.127 41.979 1.186 368 H ALA 45 H ALA 45 -36.672 41.377 -0.017 369 HA ALA 45 HA ALA 45 -36.195 44.153 -0.519 370 HB1 ALA 45 1HB ALA 45 -35.350 42.392 -2.005 371 HB2 ALA 45 2HB ALA 45 -37.008 41.978 -2.444 372 HB3 ALA 45 3HB ALA 45 -36.352 43.559 -2.869 373 H GLU 46 H GLU 46 -39.004 42.013 -0.746 374 HA GLU 46 HA GLU 46 -40.748 43.936 -1.886 375 HB2 GLU 46 1HB GLU 46 -41.070 41.278 -0.575 376 HB3 GLU 46 2HB GLU 46 -42.495 42.294 -0.740 377 HG2 GLU 46 1HG GLU 46 -42.298 42.330 -3.106 378 HG3 GLU 46 2HG GLU 46 -40.708 41.573 -3.045 379 H LYS 47 H LYS 47 -39.825 43.149 1.391 380 HA LYS 47 HA LYS 47 -41.899 44.798 2.560 381 HB2 LYS 47 1HB LYS 47 -41.363 42.922 3.873 382 HB3 LYS 47 2HB LYS 47 -39.632 43.165 3.672 383 HG2 LYS 47 1HG LYS 47 -41.139 45.313 5.038 384 HG3 LYS 47 2HG LYS 47 -40.928 43.791 5.908 385 HD2 LYS 47 1HD LYS 47 -38.453 44.545 4.679 386 HD3 LYS 47 2HD LYS 47 -39.078 45.898 5.624 387 HE2 LYS 47 1HE LYS 47 -39.047 43.144 6.787 388 HE3 LYS 47 2HE LYS 47 -37.569 44.104 6.759 389 HZ1 LYS 47 3HZ LYS 47 -38.300 45.027 8.625 390 HZ2 LYS 47 1HZ LYS 47 -39.835 44.331 8.471 391 HZ3 LYS 47 2HZ LYS 47 -39.494 45.803 7.712 392 H ARG 48 H ARG 48 -38.342 44.871 2.382 393 HA ARG 48 HA ARG 48 -38.233 47.544 3.451 394 HB2 ARG 48 1HB ARG 48 -36.464 45.493 3.436 395 HB3 ARG 48 2HB ARG 48 -35.856 46.441 2.085 396 HG2 ARG 48 1HG ARG 48 -35.173 48.148 3.407 397 HG3 ARG 48 2HG ARG 48 -36.468 47.904 4.581 398 HD2 ARG 48 1HD ARG 48 -35.176 45.673 5.069 399 HD3 ARG 48 2HD ARG 48 -33.821 46.547 4.356 400 HE ARG 48 HE ARG 48 -35.005 46.995 6.928 401 HH11 ARG 48 1HH1 ARG 48 -33.230 48.464 4.319 402 HH12 ARG 48 2HH1 ARG 48 -32.525 49.692 5.317 403 HH21 ARG 48 1HH2 ARG 48 -34.083 48.606 8.253 404 HH22 ARG 48 2HH2 ARG 48 -33.010 49.772 7.555 405 H LYS 49 H LYS 49 -36.464 48.940 2.063 406 HA LYS 49 HA LYS 49 -37.944 49.835 -0.200 407 HB2 LYS 49 1HB LYS 49 -36.235 51.522 -0.434 408 HB3 LYS 49 2HB LYS 49 -36.618 51.336 1.272 409 HG2 LYS 49 1HG LYS 49 -34.614 49.856 1.475 410 HG3 LYS 49 2HG LYS 49 -34.200 50.296 -0.184 411 HD2 LYS 49 1HD LYS 49 -33.332 52.240 0.473 412 HD3 LYS 49 2HD LYS 49 -34.777 52.639 1.405 413 HE2 LYS 49 1HE LYS 49 -33.682 50.770 3.005 414 HE3 LYS 49 2HE LYS 49 -32.224 51.437 2.272 415 HZ1 LYS 49 3HZ LYS 49 -33.791 52.523 4.327 416 HZ2 LYS 49 1HZ LYS 49 -33.871 53.570 3.000 417 HZ3 LYS 49 2HZ LYS 49 -32.370 53.143 3.651 418 H ALA 50 H ALA 50 -37.295 49.884 -2.388 419 HA ALA 50 HA ALA 50 -34.974 48.559 -3.345 420 HB1 ALA 50 1HB ALA 50 -37.237 46.895 -2.773 421 HB2 ALA 50 2HB ALA 50 -36.912 46.894 -4.507 422 HB3 ALA 50 3HB ALA 50 -35.641 46.443 -3.372 423 H GLU 51 H GLU 51 -34.603 50.074 -4.854 424 HA GLU 51 HA GLU 51 -36.772 51.082 -6.503 425 HB2 GLU 51 1HB GLU 51 -35.154 52.667 -7.358 426 HB3 GLU 51 2HB GLU 51 -35.059 52.623 -5.603 427 HG2 GLU 51 1HG GLU 51 -33.146 50.945 -5.959 428 HG3 GLU 51 2HG GLU 51 -33.131 51.543 -7.617 429 H ILE 52 H ILE 52 -34.082 48.890 -6.721 430 HA ILE 52 HA ILE 52 -33.651 48.735 -9.443 431 HB ILE 52 HB ILE 52 -33.709 46.363 -7.577 432 HG12 ILE 52 1HG1 ILE 52 -31.076 47.361 -7.987 433 HG13 ILE 52 2HG1 ILE 52 -32.088 48.716 -7.495 434 HG21 ILE 52 1HG2 ILE 52 -33.517 45.650 -9.839 435 HG22 ILE 52 2HG2 ILE 52 -32.315 46.890 -10.192 436 HG23 ILE 52 3HG2 ILE 52 -31.909 45.548 -9.122 437 HD11 ILE 52 3HD1 ILE 52 -32.317 46.200 -5.950 438 HD12 ILE 52 1HD1 ILE 52 -30.854 47.165 -5.749 439 HD13 ILE 52 2HD1 ILE 52 -32.433 47.877 -5.417 Start of MODEL 6 1 H1 MET 1 H MET 1 -2.678 -3.371 3.380 2 HA MET 1 HA MET 1 -4.786 -2.428 3.236 3 HB2 MET 1 1HB MET 1 -4.852 -0.287 4.504 4 HB3 MET 1 2HB MET 1 -3.921 -1.547 5.304 5 HG2 MET 1 1HG MET 1 -2.209 0.011 3.615 6 HG3 MET 1 2HG MET 1 -3.119 1.064 4.696 7 HE1 MET 1 3HE MET 1 -3.370 -0.699 7.496 8 HE2 MET 1 1HE MET 1 -2.007 0.188 8.180 9 HE3 MET 1 2HE MET 1 -3.149 1.010 7.117 10 H ALA 2 H ALA 2 -2.250 -0.707 1.618 11 HA ALA 2 HA ALA 2 -3.709 1.373 0.442 12 HB1 ALA 2 1HB ALA 2 -1.245 -0.100 -0.456 13 HB2 ALA 2 2HB ALA 2 -1.910 1.279 -1.334 14 HB3 ALA 2 3HB ALA 2 -1.353 1.477 0.328 15 H VAL 3 H VAL 3 -3.590 -2.017 -0.267 16 HA VAL 3 HA VAL 3 -5.641 -1.652 -2.307 17 HB VAL 3 HB VAL 3 -3.202 -3.345 -2.856 18 HG11 VAL 3 1HG1 VAL 3 -4.324 -4.202 -4.576 19 HG12 VAL 3 2HG1 VAL 3 -5.778 -3.457 -3.907 20 HG13 VAL 3 3HG1 VAL 3 -4.828 -2.603 -5.124 21 HG21 VAL 3 3HG2 VAL 3 -3.954 -0.674 -4.042 22 HG22 VAL 3 1HG2 VAL 3 -2.646 -0.955 -2.893 23 HG23 VAL 3 2HG2 VAL 3 -2.572 -1.668 -4.504 24 H LYS 4 H LYS 4 -3.702 -3.903 -0.387 25 HA LYS 4 HA LYS 4 -5.156 -6.226 -0.713 26 HB2 LYS 4 1HB LYS 4 -3.836 -5.221 1.815 27 HB3 LYS 4 2HB LYS 4 -4.322 -6.885 1.517 28 HG2 LYS 4 1HG LYS 4 -2.454 -5.533 -0.376 29 HG3 LYS 4 2HG LYS 4 -1.852 -6.159 1.161 30 HD2 LYS 4 1HD LYS 4 -1.581 -8.060 -0.024 31 HD3 LYS 4 2HD LYS 4 -3.301 -8.273 0.313 32 HE2 LYS 4 1HE LYS 4 -3.533 -6.819 -1.888 33 HE3 LYS 4 2HE LYS 4 -1.934 -7.487 -2.208 34 HZ1 LYS 4 3HZ LYS 4 -3.116 -9.707 -1.575 35 HZ2 LYS 4 1HZ LYS 4 -3.270 -9.071 -3.135 36 HZ3 LYS 4 2HZ LYS 4 -4.516 -8.864 -2.011 37 H LEU 5 H LEU 5 -5.790 -3.509 1.454 38 HA LEU 5 HA LEU 5 -7.881 -4.623 2.931 39 HB2 LEU 5 1HB LEU 5 -6.665 -2.091 2.631 40 HB3 LEU 5 2HB LEU 5 -8.401 -1.857 2.439 41 HG LEU 5 HG LEU 5 -7.602 -1.497 4.753 42 HD11 LEU 5 1HD1 LEU 5 -9.375 -3.917 4.653 43 HD12 LEU 5 2HD1 LEU 5 -9.921 -2.330 4.115 44 HD13 LEU 5 3HD1 LEU 5 -9.413 -2.567 5.787 45 HD21 LEU 5 3HD2 LEU 5 -6.311 -2.951 5.839 46 HD22 LEU 5 1HD2 LEU 5 -6.094 -3.772 4.293 47 HD23 LEU 5 2HD2 LEU 5 -7.349 -4.311 5.408 48 H MET 6 H MET 6 -8.034 -2.629 -0.018 49 HA MET 6 HA MET 6 -10.413 -4.045 -0.864 50 HB2 MET 6 1HB MET 6 -10.443 -1.161 -0.035 51 HB3 MET 6 2HB MET 6 -11.535 -1.734 -1.289 52 HG2 MET 6 1HG MET 6 -11.865 -3.587 0.713 53 HG3 MET 6 2HG MET 6 -11.653 -2.075 1.593 54 HE1 MET 6 3HE MET 6 -14.667 -2.917 2.257 55 HE2 MET 6 1HE MET 6 -13.550 -1.600 2.619 56 HE3 MET 6 2HE MET 6 -15.141 -1.247 1.944 57 H GLY 7 H GLY 7 -10.024 -4.524 -2.919 58 HA2 GLY 7 1HA GLY 7 -8.251 -2.806 -4.486 59 HA3 GLY 7 2HA GLY 7 -8.763 -4.433 -4.911 60 H VAL 8 H VAL 8 -10.541 -4.726 -6.171 61 HA VAL 8 HA VAL 8 -11.383 -2.708 -7.873 62 HB VAL 8 HB VAL 8 -11.681 -5.107 -8.349 63 HG11 VAL 8 1HG1 VAL 8 -14.028 -4.997 -6.462 64 HG12 VAL 8 2HG1 VAL 8 -13.430 -6.398 -7.354 65 HG13 VAL 8 3HG1 VAL 8 -12.465 -5.703 -6.051 66 HG21 VAL 8 3HG2 VAL 8 -14.461 -4.216 -8.553 67 HG22 VAL 8 1HG2 VAL 8 -13.282 -3.034 -9.120 68 HG23 VAL 8 2HG2 VAL 8 -13.314 -4.653 -9.818 69 H ASP 9 H ASP 9 -12.648 -3.680 -4.758 70 HA ASP 9 HA ASP 9 -15.101 -2.261 -4.915 71 HB2 ASP 9 1HB ASP 9 -13.506 -3.529 -2.736 72 HB3 ASP 9 2HB ASP 9 -14.769 -2.388 -2.283 73 H LYS 10 H LYS 10 -11.842 -1.356 -4.111 74 HA LYS 10 HA LYS 10 -12.540 1.124 -2.846 75 HB2 LYS 10 1HB LYS 10 -10.446 -0.038 -2.309 76 HB3 LYS 10 2HB LYS 10 -9.899 0.169 -3.968 77 HG2 LYS 10 1HG LYS 10 -9.403 2.367 -3.681 78 HG3 LYS 10 2HG LYS 10 -10.657 2.607 -2.462 79 HD2 LYS 10 1HD LYS 10 -9.327 1.501 -0.795 80 HD3 LYS 10 2HD LYS 10 -8.123 1.037 -1.999 81 HE2 LYS 10 1HE LYS 10 -7.446 2.980 -0.610 82 HE3 LYS 10 2HE LYS 10 -7.496 3.330 -2.337 83 HZ1 LYS 10 3HZ LYS 10 -9.444 4.562 -2.103 84 HZ2 LYS 10 1HZ LYS 10 -8.518 5.023 -0.765 85 HZ3 LYS 10 2HZ LYS 10 -9.792 3.927 -0.574 86 H ILE 11 H ILE 11 -11.133 0.249 -5.999 87 HA ILE 11 HA ILE 11 -11.118 2.884 -7.024 88 HB ILE 11 HB ILE 11 -10.868 1.806 -9.248 89 HG12 ILE 11 1HG1 ILE 11 -10.427 -0.808 -8.894 90 HG13 ILE 11 2HG1 ILE 11 -11.644 -0.578 -7.643 91 HG21 ILE 11 1HG2 ILE 11 -8.756 1.999 -8.543 92 HG22 ILE 11 2HG2 ILE 11 -9.149 1.416 -6.927 93 HG23 ILE 11 3HG2 ILE 11 -8.841 0.266 -8.228 94 HD11 ILE 11 3HD1 ILE 11 -12.497 0.690 -10.059 95 HD12 ILE 11 1HD1 ILE 11 -12.045 -0.983 -10.382 96 HD13 ILE 11 2HD1 ILE 11 -13.255 -0.619 -9.152 97 H LYS 12 H LYS 12 -13.480 0.270 -7.151 98 HA LYS 12 HA LYS 12 -15.236 1.559 -8.984 99 HB2 LYS 12 1HB LYS 12 -15.383 -0.817 -8.770 100 HB3 LYS 12 2HB LYS 12 -15.623 -0.710 -7.031 101 HG2 LYS 12 1HG LYS 12 -17.618 0.672 -8.707 102 HG3 LYS 12 2HG LYS 12 -17.612 -1.092 -8.781 103 HD2 LYS 12 1HD LYS 12 -17.446 0.105 -6.084 104 HD3 LYS 12 2HD LYS 12 -18.977 0.315 -6.938 105 HE2 LYS 12 1HE LYS 12 -17.582 -2.315 -6.446 106 HE3 LYS 12 2HE LYS 12 -18.969 -1.705 -5.544 107 HZ1 LYS 12 3HZ LYS 12 -18.848 -2.819 -8.237 108 HZ2 LYS 12 1HZ LYS 12 -19.945 -1.556 -7.982 109 HZ3 LYS 12 2HZ LYS 12 -20.051 -2.968 -7.057 110 H SER 13 H SER 13 -14.763 1.717 -5.549 111 HA SER 13 HA SER 13 -17.287 3.101 -5.112 112 HB2 SER 13 1HB SER 13 -16.550 1.493 -3.420 113 HB3 SER 13 2HB SER 13 -15.055 2.400 -3.188 114 HG SER 13 HG SER 13 -17.661 3.012 -2.383 115 H LYS 14 H LYS 14 -13.936 3.796 -5.594 116 HA LYS 14 HA LYS 14 -13.780 6.338 -4.412 117 HB2 LYS 14 1HB LYS 14 -11.959 4.756 -5.518 118 HB3 LYS 14 2HB LYS 14 -12.269 5.770 -6.921 119 HG2 LYS 14 1HG LYS 14 -11.297 6.656 -4.216 120 HG3 LYS 14 2HG LYS 14 -10.398 6.660 -5.735 121 HD2 LYS 14 1HD LYS 14 -12.865 8.300 -5.153 122 HD3 LYS 14 2HD LYS 14 -11.206 8.902 -5.131 123 HE2 LYS 14 1HE LYS 14 -11.735 7.531 -7.600 124 HE3 LYS 14 2HE LYS 14 -12.960 8.768 -7.319 125 HZ1 LYS 14 3HZ LYS 14 -11.152 9.741 -8.504 126 HZ2 LYS 14 1HZ LYS 14 -10.019 9.157 -7.391 127 HZ3 LYS 14 2HZ LYS 14 -11.120 10.355 -6.929 128 H ILE 15 H ILE 15 -13.964 5.678 -7.913 129 HA ILE 15 HA ILE 15 -14.678 8.272 -8.655 130 HB ILE 15 HB ILE 15 -15.482 5.771 -10.138 131 HG12 ILE 15 1HG1 ILE 15 -13.092 6.884 -11.187 132 HG13 ILE 15 2HG1 ILE 15 -12.861 6.702 -9.452 133 HG21 ILE 15 1HG2 ILE 15 -14.613 8.265 -11.484 134 HG22 ILE 15 2HG2 ILE 15 -15.821 7.076 -11.969 135 HG23 ILE 15 3HG2 ILE 15 -16.202 8.262 -10.720 136 HD11 ILE 15 3HD1 ILE 15 -13.034 4.682 -11.552 137 HD12 ILE 15 1HD1 ILE 15 -12.249 4.623 -9.974 138 HD13 ILE 15 2HD1 ILE 15 -13.980 4.315 -10.110 139 H LEU 16 H LEU 16 -16.688 5.485 -7.833 140 HA LEU 16 HA LEU 16 -19.173 6.579 -8.543 141 HB2 LEU 16 1HB LEU 16 -18.260 4.410 -6.722 142 HB3 LEU 16 2HB LEU 16 -19.928 4.963 -6.594 143 HG LEU 16 HG LEU 16 -18.624 3.813 -9.061 144 HD11 LEU 16 1HD1 LEU 16 -20.906 2.586 -7.582 145 HD12 LEU 16 2HD1 LEU 16 -19.257 2.332 -7.014 146 HD13 LEU 16 3HD1 LEU 16 -19.715 1.832 -8.642 147 HD21 LEU 16 3HD2 LEU 16 -21.476 3.911 -9.152 148 HD22 LEU 16 1HD2 LEU 16 -20.304 4.646 -10.245 149 HD23 LEU 16 2HD2 LEU 16 -20.851 5.526 -8.818 150 H ASP 17 H ASP 17 -17.725 6.315 -5.290 151 HA ASP 17 HA ASP 17 -19.636 7.931 -4.011 152 HB2 ASP 17 1HB ASP 17 -18.017 6.349 -2.897 153 HB3 ASP 17 2HB ASP 17 -16.764 7.563 -3.148 154 H ASP 18 H ASP 18 -16.584 8.693 -5.588 155 HA ASP 18 HA ASP 18 -16.382 11.372 -4.728 156 HB2 ASP 18 1HB ASP 18 -14.449 10.294 -5.656 157 HB3 ASP 18 2HB ASP 18 -15.291 9.965 -7.169 158 H ALA 19 H ALA 19 -17.482 10.078 -7.868 159 HA ALA 19 HA ALA 19 -18.404 12.531 -8.879 160 HB1 ALA 19 1HB ALA 19 -19.626 9.917 -9.675 161 HB2 ALA 19 2HB ALA 19 -19.265 11.330 -10.668 162 HB3 ALA 19 3HB ALA 19 -17.955 10.298 -10.095 163 H LYS 20 H LYS 20 -20.052 9.965 -7.084 164 HA LYS 20 HA LYS 20 -22.663 10.953 -7.280 165 HB2 LYS 20 1HB LYS 20 -21.254 9.207 -5.285 166 HB3 LYS 20 2HB LYS 20 -22.916 9.711 -5.005 167 HG2 LYS 20 1HG LYS 20 -21.966 8.256 -7.463 168 HG3 LYS 20 2HG LYS 20 -22.715 7.486 -6.062 169 HD2 LYS 20 1HD LYS 20 -23.984 9.594 -7.811 170 HD3 LYS 20 2HD LYS 20 -24.342 7.866 -7.850 171 HE2 LYS 20 1HE LYS 20 -24.824 9.777 -5.568 172 HE3 LYS 20 2HE LYS 20 -26.043 8.997 -6.575 173 HZ1 LYS 20 3HZ LYS 20 -24.685 6.888 -5.636 174 HZ2 LYS 20 1HZ LYS 20 -26.086 7.510 -4.920 175 HZ3 LYS 20 2HZ LYS 20 -24.566 7.948 -4.323 176 H ALA 21 H ALA 21 -20.191 11.504 -4.784 177 HA ALA 21 HA ALA 21 -21.717 13.164 -3.125 178 HB1 ALA 21 1HB ALA 21 -19.656 13.819 -2.106 179 HB2 ALA 21 2HB ALA 21 -19.533 12.112 -2.536 180 HB3 ALA 21 3HB ALA 21 -18.737 13.332 -3.530 181 H GLU 22 H GLU 22 -19.734 13.896 -5.951 182 HA GLU 22 HA GLU 22 -19.723 16.682 -5.758 183 HB2 GLU 22 1HB GLU 22 -18.733 14.830 -7.536 184 HB3 GLU 22 2HB GLU 22 -19.949 15.662 -8.495 185 HG2 GLU 22 1HG GLU 22 -18.510 17.295 -8.856 186 HG3 GLU 22 2HG GLU 22 -18.506 17.652 -7.130 187 H ALA 23 H ALA 23 -22.026 14.516 -7.371 188 HA ALA 23 HA ALA 23 -23.725 16.689 -8.195 189 HB1 ALA 23 1HB ALA 23 -23.499 14.599 -9.502 190 HB2 ALA 23 2HB ALA 23 -24.316 13.733 -8.200 191 HB3 ALA 23 3HB ALA 23 -25.171 14.989 -9.097 192 H ASN 24 H ASN 24 -23.374 14.750 -5.391 193 HA ASN 24 HA ASN 24 -26.088 15.100 -4.465 194 HB2 ASN 24 1HB ASN 24 -23.669 13.679 -3.535 195 HB3 ASN 24 2HB ASN 24 -24.734 14.273 -2.263 196 HD21 ASN 24 2HD2 ASN 24 -24.127 11.541 -3.079 197 HD22 ASN 24 1HD2 ASN 24 -25.643 10.814 -3.478 198 H LYS 25 H LYS 25 -23.123 16.820 -4.308 199 HA LYS 25 HA LYS 25 -23.921 18.384 -1.987 200 HB2 LYS 25 1HB LYS 25 -21.457 17.685 -3.137 201 HB3 LYS 25 2HB LYS 25 -21.617 19.418 -3.393 202 HG2 LYS 25 1HG LYS 25 -20.448 18.955 -1.322 203 HG3 LYS 25 2HG LYS 25 -21.997 19.738 -1.000 204 HD2 LYS 25 1HD LYS 25 -22.966 17.757 -0.216 205 HD3 LYS 25 2HD LYS 25 -21.722 16.749 -0.960 206 HE2 LYS 25 1HE LYS 25 -20.071 17.672 0.620 207 HE3 LYS 25 2HE LYS 25 -21.351 18.615 1.383 208 HZ1 LYS 25 3HZ LYS 25 -20.696 15.836 1.691 209 HZ2 LYS 25 1HZ LYS 25 -22.342 16.095 1.401 210 HZ3 LYS 25 2HZ LYS 25 -21.583 16.855 2.707 211 H ILE 26 H ILE 26 -23.619 18.709 -5.473 212 HA ILE 26 HA ILE 26 -24.088 21.513 -5.565 213 HB ILE 26 HB ILE 26 -24.402 21.243 -7.941 214 HG12 ILE 26 1HG1 ILE 26 -24.089 18.613 -8.598 215 HG13 ILE 26 2HG1 ILE 26 -25.077 18.486 -7.147 216 HG21 ILE 26 1HG2 ILE 26 -22.149 20.225 -6.502 217 HG22 ILE 26 2HG2 ILE 26 -22.335 19.336 -8.013 218 HG23 ILE 26 3HG2 ILE 26 -22.190 21.094 -8.036 219 HD11 ILE 26 3HD1 ILE 26 -26.808 19.779 -8.114 220 HD12 ILE 26 1HD1 ILE 26 -25.789 20.242 -9.476 221 HD13 ILE 26 2HD1 ILE 26 -26.332 18.572 -9.308 222 H ILE 27 H ILE 27 -26.150 18.694 -5.507 223 HA ILE 27 HA ILE 27 -28.534 20.064 -6.303 224 HB ILE 27 HB ILE 27 -29.706 18.028 -5.478 225 HG12 ILE 27 1HG1 ILE 27 -27.553 16.248 -5.161 226 HG13 ILE 27 2HG1 ILE 27 -27.167 17.640 -4.155 227 HG21 ILE 27 1HG2 ILE 27 -29.101 18.007 -7.749 228 HG22 ILE 27 2HG2 ILE 27 -27.395 17.760 -7.377 229 HG23 ILE 27 3HG2 ILE 27 -28.553 16.456 -7.113 230 HD11 ILE 27 3HD1 ILE 27 -29.790 16.180 -4.041 231 HD12 ILE 27 1HD1 ILE 27 -28.411 15.813 -3.005 232 HD13 ILE 27 2HD1 ILE 27 -29.182 17.397 -2.919 233 H SER 28 H SER 28 -26.948 19.357 -3.263 234 HA SER 28 HA SER 28 -29.206 20.249 -1.684 235 HB2 SER 28 1HB SER 28 -27.679 18.418 -0.920 236 HB3 SER 28 2HB SER 28 -26.392 19.613 -0.766 237 HG SER 28 HG SER 28 -27.314 20.403 0.980 238 H GLU 29 H GLU 29 -25.889 21.368 -2.326 239 HA GLU 29 HA GLU 29 -26.028 23.732 -0.831 240 HB2 GLU 29 1HB GLU 29 -24.014 22.535 -2.018 241 HB3 GLU 29 2HB GLU 29 -24.424 23.601 -3.355 242 HG2 GLU 29 1HG GLU 29 -22.788 24.766 -2.199 243 HG3 GLU 29 2HG GLU 29 -24.292 25.494 -1.639 244 H ALA 30 H ALA 30 -27.433 22.892 -3.845 245 HA ALA 30 HA ALA 30 -27.778 25.625 -4.741 246 HB1 ALA 30 1HB ALA 30 -29.075 24.589 -6.584 247 HB2 ALA 30 2HB ALA 30 -27.441 23.943 -6.425 248 HB3 ALA 30 3HB ALA 30 -28.818 23.014 -5.832 249 H GLU 31 H GLU 31 -30.140 23.004 -4.198 250 HA GLU 31 HA GLU 31 -32.402 24.561 -4.031 251 HB2 GLU 31 1HB GLU 31 -33.419 22.719 -2.755 252 HB3 GLU 31 2HB GLU 31 -32.491 22.130 -4.128 253 HG2 GLU 31 1HG GLU 31 -31.600 20.706 -2.667 254 HG3 GLU 31 2HG GLU 31 -30.627 22.081 -2.147 255 H ALA 32 H ALA 32 -29.947 24.012 -1.612 256 HA ALA 32 HA ALA 32 -31.407 25.006 0.613 257 HB1 ALA 32 1HB ALA 32 -29.431 23.571 0.851 258 HB2 ALA 32 2HB ALA 32 -28.420 24.872 0.220 259 HB3 ALA 32 3HB ALA 32 -29.265 25.077 1.754 260 H GLU 33 H GLU 33 -28.543 26.509 -0.883 261 HA GLU 33 HA GLU 33 -28.910 29.044 0.147 262 HB2 GLU 33 1HB GLU 33 -27.539 28.021 -2.314 263 HB3 GLU 33 2HB GLU 33 -27.648 29.753 -2.032 264 HG2 GLU 33 1HG GLU 33 -26.677 29.169 0.303 265 HG3 GLU 33 2HG GLU 33 -26.175 27.673 -0.482 266 H LYS 34 H LYS 34 -30.183 27.674 -2.855 267 HA LYS 34 HA LYS 34 -31.305 29.979 -3.944 268 HB2 LYS 34 1HB LYS 34 -31.184 28.014 -5.287 269 HB3 LYS 34 2HB LYS 34 -32.123 27.082 -4.129 270 HG2 LYS 34 1HG LYS 34 -34.076 28.529 -4.629 271 HG3 LYS 34 2HG LYS 34 -33.117 29.316 -5.885 272 HD2 LYS 34 1HD LYS 34 -33.258 26.357 -5.954 273 HD3 LYS 34 2HD LYS 34 -34.728 27.239 -6.376 274 HE2 LYS 34 1HE LYS 34 -33.061 28.631 -7.864 275 HE3 LYS 34 2HE LYS 34 -32.086 27.167 -7.752 276 HZ1 LYS 34 3HZ LYS 34 -34.613 26.289 -8.342 277 HZ2 LYS 34 1HZ LYS 34 -33.309 26.392 -9.415 278 HZ3 LYS 34 2HZ LYS 34 -34.419 27.664 -9.308 279 H ALA 35 H ALA 35 -33.051 27.447 -2.129 280 HA ALA 35 HA ALA 35 -35.431 28.866 -1.815 281 HB1 ALA 35 1HB ALA 35 -35.256 26.466 -1.426 282 HB2 ALA 35 2HB ALA 35 -34.267 26.761 0.004 283 HB3 ALA 35 3HB ALA 35 -35.951 27.284 -0.026 284 H LYS 36 H LYS 36 -32.403 29.325 -0.313 285 HA LYS 36 HA LYS 36 -33.436 30.596 2.067 286 HB2 LYS 36 1HB LYS 36 -31.041 29.411 1.429 287 HB3 LYS 36 2HB LYS 36 -30.637 31.121 1.360 288 HG2 LYS 36 1HG LYS 36 -30.174 30.296 3.559 289 HG3 LYS 36 2HG LYS 36 -31.559 31.387 3.641 290 HD2 LYS 36 1HD LYS 36 -31.939 29.403 5.003 291 HD3 LYS 36 2HD LYS 36 -33.071 29.457 3.650 292 HE2 LYS 36 1HE LYS 36 -31.756 27.842 2.432 293 HE3 LYS 36 2HE LYS 36 -30.509 27.866 3.678 294 HZ1 LYS 36 3HZ LYS 36 -33.199 26.676 3.775 295 HZ2 LYS 36 1HZ LYS 36 -32.436 27.145 5.211 296 HZ3 LYS 36 2HZ LYS 36 -31.712 25.993 4.206 297 H ILE 37 H ILE 37 -31.587 31.687 -0.781 298 HA ILE 37 HA ILE 37 -31.877 34.450 -0.152 299 HB ILE 37 HB ILE 37 -31.073 34.822 -2.494 300 HG12 ILE 37 1HG1 ILE 37 -30.328 32.001 -2.833 301 HG13 ILE 37 2HG1 ILE 37 -32.057 32.301 -2.960 302 HG21 ILE 37 1HG2 ILE 37 -29.323 34.840 -1.022 303 HG22 ILE 37 2HG2 ILE 37 -29.626 33.194 -0.470 304 HG23 ILE 37 3HG2 ILE 37 -28.858 33.472 -2.033 305 HD11 ILE 37 3HD1 ILE 37 -29.848 33.462 -4.625 306 HD12 ILE 37 1HD1 ILE 37 -31.189 32.441 -5.142 307 HD13 ILE 37 2HD1 ILE 37 -31.491 34.102 -4.630 308 H LEU 38 H LEU 38 -33.741 32.149 -1.993 309 HA LEU 38 HA LEU 38 -35.290 33.995 -3.476 310 HB2 LEU 38 1HB LEU 38 -35.433 31.120 -2.805 311 HB3 LEU 38 2HB LEU 38 -36.947 31.892 -3.270 312 HG LEU 38 HG LEU 38 -35.848 30.780 -5.159 313 HD11 LEU 38 1HD1 LEU 38 -35.471 33.494 -6.072 314 HD12 LEU 38 2HD1 LEU 38 -36.922 33.339 -5.084 315 HD13 LEU 38 3HD1 LEU 38 -36.712 32.319 -6.507 316 HD21 LEU 38 3HD2 LEU 38 -33.780 32.029 -6.058 317 HD22 LEU 38 1HD2 LEU 38 -33.563 30.871 -4.746 318 HD23 LEU 38 2HD2 LEU 38 -33.593 32.601 -4.400 319 H GLU 39 H GLU 39 -35.648 32.563 -0.281 320 HA GLU 39 HA GLU 39 -38.221 33.870 0.110 321 HB2 GLU 39 1HB GLU 39 -36.587 31.989 1.808 322 HB3 GLU 39 2HB GLU 39 -38.048 32.767 2.398 323 HG2 GLU 39 1HG GLU 39 -38.767 31.653 -0.049 324 HG3 GLU 39 2HG GLU 39 -37.748 30.442 0.728 325 H LYS 40 H LYS 40 -34.875 34.242 0.973 326 HA LYS 40 HA LYS 40 -35.341 36.141 3.078 327 HB2 LYS 40 1HB LYS 40 -33.326 34.716 3.021 328 HB3 LYS 40 2HB LYS 40 -32.807 35.523 1.548 329 HG2 LYS 40 1HG LYS 40 -31.899 37.196 2.687 330 HG3 LYS 40 2HG LYS 40 -33.361 37.426 3.649 331 HD2 LYS 40 1HD LYS 40 -32.613 36.105 5.350 332 HD3 LYS 40 2HD LYS 40 -31.670 35.069 4.275 333 HE2 LYS 40 1HE LYS 40 -30.898 37.918 4.845 334 HE3 LYS 40 2HE LYS 40 -30.380 36.583 5.873 335 HZ1 LYS 40 3HZ LYS 40 -28.964 37.417 3.819 336 HZ2 LYS 40 1HZ LYS 40 -29.936 36.297 3.004 337 HZ3 LYS 40 2HZ LYS 40 -28.975 35.797 4.303 338 H ALA 41 H ALA 41 -34.228 36.332 -0.291 339 HA ALA 41 HA ALA 41 -33.986 39.163 -0.316 340 HB1 ALA 41 1HB ALA 41 -34.411 37.405 -2.721 341 HB2 ALA 41 2HB ALA 41 -33.593 38.966 -2.644 342 HB3 ALA 41 3HB ALA 41 -32.860 37.549 -1.892 343 H LYS 42 H LYS 42 -36.446 36.978 -1.692 344 HA LYS 42 HA LYS 42 -38.177 38.914 -2.677 345 HB2 LYS 42 1HB LYS 42 -38.317 36.443 -3.084 346 HB3 LYS 42 2HB LYS 42 -38.996 36.266 -1.471 347 HG2 LYS 42 1HG LYS 42 -41.019 37.015 -2.097 348 HG3 LYS 42 2HG LYS 42 -40.349 38.230 -3.189 349 HD2 LYS 42 1HD LYS 42 -39.827 35.548 -4.140 350 HD3 LYS 42 2HD LYS 42 -41.554 35.820 -3.896 351 HE2 LYS 42 1HE LYS 42 -41.680 37.368 -5.548 352 HE3 LYS 42 2HE LYS 42 -40.054 37.979 -5.247 353 HZ1 LYS 42 3HZ LYS 42 -40.928 35.799 -6.977 354 HZ2 LYS 42 1HZ LYS 42 -39.448 35.598 -6.182 355 HZ3 LYS 42 2HZ LYS 42 -39.688 36.926 -7.201 356 H GLU 43 H GLU 43 -37.658 37.824 0.585 357 HA GLU 43 HA GLU 43 -40.057 39.103 1.592 358 HB2 GLU 43 1HB GLU 43 -39.357 37.057 2.666 359 HB3 GLU 43 2HB GLU 43 -37.760 37.720 2.984 360 HG2 GLU 43 1HG GLU 43 -39.348 37.638 4.936 361 HG3 GLU 43 2HG GLU 43 -38.577 39.192 4.621 362 H GLU 44 H GLU 44 -36.584 39.449 2.349 363 HA GLU 44 HA GLU 44 -36.726 41.816 3.756 364 HB2 GLU 44 1HB GLU 44 -34.387 42.079 3.360 365 HB3 GLU 44 2HB GLU 44 -34.704 40.353 3.472 366 HG2 GLU 44 1HG GLU 44 -34.872 40.468 0.892 367 HG3 GLU 44 2HG GLU 44 -34.009 41.994 1.077 368 H ALA 45 H ALA 45 -36.639 41.319 0.275 369 HA ALA 45 HA ALA 45 -36.330 44.077 -0.391 370 HB1 ALA 45 1HB ALA 45 -37.319 41.774 -2.068 371 HB2 ALA 45 2HB ALA 45 -36.869 43.368 -2.675 372 HB3 ALA 45 3HB ALA 45 -35.650 42.329 -1.938 373 H GLU 46 H GLU 46 -39.094 41.874 -0.161 374 HA GLU 46 HA GLU 46 -41.023 43.733 -1.089 375 HB2 GLU 46 1HB GLU 46 -41.107 41.109 0.329 376 HB3 GLU 46 2HB GLU 46 -42.564 42.092 0.307 377 HG2 GLU 46 1HG GLU 46 -41.045 41.186 -2.128 378 HG3 GLU 46 2HG GLU 46 -42.512 40.437 -1.499 379 H LYS 47 H LYS 47 -39.615 43.071 2.033 380 HA LYS 47 HA LYS 47 -41.555 44.666 3.467 381 HB2 LYS 47 1HB LYS 47 -40.717 42.874 4.734 382 HB3 LYS 47 2HB LYS 47 -39.057 43.186 4.244 383 HG2 LYS 47 1HG LYS 47 -40.407 45.329 5.762 384 HG3 LYS 47 2HG LYS 47 -40.027 43.847 6.641 385 HD2 LYS 47 1HD LYS 47 -37.861 44.367 6.726 386 HD3 LYS 47 2HD LYS 47 -37.807 44.687 4.991 387 HE2 LYS 47 1HE LYS 47 -38.748 46.932 5.415 388 HE3 LYS 47 2HE LYS 47 -38.697 46.602 7.146 389 HZ1 LYS 47 3HZ LYS 47 -36.640 47.553 5.484 390 HZ2 LYS 47 1HZ LYS 47 -36.169 46.055 6.114 391 HZ3 LYS 47 2HZ LYS 47 -36.614 47.310 7.157 392 H ARG 48 H ARG 48 -38.091 44.920 2.684 393 HA ARG 48 HA ARG 48 -37.651 47.434 3.821 394 HB2 ARG 48 1HB ARG 48 -36.312 45.967 1.558 395 HB3 ARG 48 2HB ARG 48 -35.769 47.557 2.079 396 HG2 ARG 48 1HG ARG 48 -36.082 45.575 4.226 397 HG3 ARG 48 2HG ARG 48 -34.815 45.228 3.047 398 HD2 ARG 48 1HD ARG 48 -35.086 47.918 4.357 399 HD3 ARG 48 2HD ARG 48 -34.172 46.605 5.099 400 HE ARG 48 HE ARG 48 -33.273 46.909 2.474 401 HH11 ARG 48 1HH1 ARG 48 -33.297 48.675 5.475 402 HH12 ARG 48 2HH1 ARG 48 -31.828 49.528 5.135 403 HH21 ARG 48 1HH2 ARG 48 -31.337 48.026 2.016 404 HH22 ARG 48 2HH2 ARG 48 -30.714 49.159 3.167 405 H LYS 49 H LYS 49 -39.195 46.517 0.859 406 HA LYS 49 HA LYS 49 -39.093 49.208 -0.237 407 HB2 LYS 49 1HB LYS 49 -40.189 46.584 -1.212 408 HB3 LYS 49 2HB LYS 49 -40.606 48.092 -2.015 409 HG2 LYS 49 1HG LYS 49 -37.812 48.103 -1.712 410 HG3 LYS 49 2HG LYS 49 -38.254 46.491 -2.281 411 HD2 LYS 49 1HD LYS 49 -39.347 47.373 -4.195 412 HD3 LYS 49 2HD LYS 49 -39.275 49.019 -3.561 413 HE2 LYS 49 1HE LYS 49 -37.014 49.230 -4.009 414 HE3 LYS 49 2HE LYS 49 -36.751 47.487 -4.027 415 HZ1 LYS 49 3HZ LYS 49 -38.249 47.547 -6.091 416 HZ2 LYS 49 1HZ LYS 49 -36.648 48.071 -6.247 417 HZ3 LYS 49 2HZ LYS 49 -37.901 49.201 -6.131 418 H ALA 50 H ALA 50 -40.729 48.028 2.215 419 HA ALA 50 HA ALA 50 -42.648 48.601 3.297 420 HB1 ALA 50 1HB ALA 50 -43.338 50.744 3.087 421 HB2 ALA 50 2HB ALA 50 -41.871 50.876 2.118 422 HB3 ALA 50 3HB ALA 50 -43.432 50.658 1.328 423 H GLU 51 H GLU 51 -45.010 48.531 3.131 424 HA GLU 51 HA GLU 51 -46.089 47.556 0.607 425 HB2 GLU 51 1HB GLU 51 -47.150 45.603 1.821 426 HB3 GLU 51 2HB GLU 51 -45.420 45.481 1.535 427 HG2 GLU 51 1HG GLU 51 -44.957 46.098 3.820 428 HG3 GLU 51 2HG GLU 51 -46.672 46.361 4.126 429 H ILE 52 H ILE 52 -46.499 49.959 2.098 430 HA ILE 52 HA ILE 52 -48.979 49.747 3.531 431 HB ILE 52 HB ILE 52 -47.636 52.236 2.473 432 HG12 ILE 52 1HG1 ILE 52 -46.125 50.990 3.942 433 HG13 ILE 52 2HG1 ILE 52 -46.688 52.457 4.735 434 HG21 ILE 52 1HG2 ILE 52 -49.736 52.955 3.036 435 HG22 ILE 52 2HG2 ILE 52 -49.946 51.719 4.276 436 HG23 ILE 52 3HG2 ILE 52 -48.920 53.118 4.591 437 HD11 ILE 52 3HD1 ILE 52 -47.722 49.673 5.217 438 HD12 ILE 52 1HD1 ILE 52 -46.655 50.593 6.278 439 HD13 ILE 52 2HD1 ILE 52 -48.310 51.139 6.002 Start of MODEL 7 1 H1 MET 1 H MET 1 -9.509 -12.212 1.637 2 HA MET 1 HA MET 1 -7.861 -11.725 -0.072 3 HB2 MET 1 1HB MET 1 -9.137 -14.167 0.160 4 HB3 MET 1 2HB MET 1 -9.204 -13.843 -1.568 5 HG2 MET 1 1HG MET 1 -6.628 -13.219 -1.032 6 HG3 MET 1 2HG MET 1 -6.919 -14.494 0.149 7 HE1 MET 1 3HE MET 1 -6.192 -14.555 -4.176 8 HE2 MET 1 1HE MET 1 -5.762 -13.460 -2.862 9 HE3 MET 1 2HE MET 1 -4.891 -14.980 -3.062 10 H ALA 2 H ALA 2 -11.189 -11.469 -0.996 11 HA ALA 2 HA ALA 2 -11.028 -11.103 -3.735 12 HB1 ALA 2 1HB ALA 2 -13.018 -10.939 -1.889 13 HB2 ALA 2 2HB ALA 2 -12.861 -9.254 -2.389 14 HB3 ALA 2 3HB ALA 2 -13.185 -10.504 -3.590 15 H VAL 3 H VAL 3 -10.170 -8.916 -1.141 16 HA VAL 3 HA VAL 3 -9.857 -6.636 -2.880 17 HB VAL 3 HB VAL 3 -8.852 -6.947 -0.051 18 HG11 VAL 3 1HG1 VAL 3 -9.116 -4.458 -0.057 19 HG12 VAL 3 2HG1 VAL 3 -7.856 -5.067 -1.132 20 HG13 VAL 3 3HG1 VAL 3 -9.408 -4.554 -1.794 21 HG21 VAL 3 3HG2 VAL 3 -11.147 -7.376 0.137 22 HG22 VAL 3 1HG2 VAL 3 -10.997 -5.652 0.475 23 HG23 VAL 3 2HG2 VAL 3 -11.561 -6.194 -1.105 24 H LYS 4 H LYS 4 -7.893 -9.236 -1.719 25 HA LYS 4 HA LYS 4 -5.341 -8.115 -1.969 26 HB2 LYS 4 1HB LYS 4 -6.414 -10.642 -1.397 27 HB3 LYS 4 2HB LYS 4 -5.380 -10.885 -2.799 28 HG2 LYS 4 1HG LYS 4 -3.645 -10.968 -1.429 29 HG3 LYS 4 2HG LYS 4 -3.913 -9.264 -1.054 30 HD2 LYS 4 1HD LYS 4 -5.188 -11.596 0.377 31 HD3 LYS 4 2HD LYS 4 -3.819 -10.654 0.972 32 HE2 LYS 4 1HE LYS 4 -5.259 -8.627 0.888 33 HE3 LYS 4 2HE LYS 4 -6.619 -9.661 0.454 34 HZ1 LYS 4 3HZ LYS 4 -5.260 -10.605 2.779 35 HZ2 LYS 4 1HZ LYS 4 -6.899 -10.248 2.563 36 HZ3 LYS 4 2HZ LYS 4 -5.815 -9.021 2.986 37 H LEU 5 H LEU 5 -7.604 -9.195 -4.359 38 HA LEU 5 HA LEU 5 -5.991 -9.761 -6.526 39 HB2 LEU 5 1HB LEU 5 -8.731 -9.110 -6.072 40 HB3 LEU 5 2HB LEU 5 -8.164 -8.221 -7.484 41 HG LEU 5 HG LEU 5 -7.490 -10.318 -8.541 42 HD11 LEU 5 1HD1 LEU 5 -8.381 -11.479 -5.929 43 HD12 LEU 5 2HD1 LEU 5 -6.888 -11.762 -6.824 44 HD13 LEU 5 3HD1 LEU 5 -8.408 -12.438 -7.408 45 HD21 LEU 5 3HD2 LEU 5 -10.121 -11.236 -7.993 46 HD22 LEU 5 1HD2 LEU 5 -9.535 -10.343 -9.397 47 HD23 LEU 5 2HD2 LEU 5 -10.140 -9.471 -7.988 48 H MET 6 H MET 6 -7.265 -6.578 -5.557 49 HA MET 6 HA MET 6 -4.943 -5.165 -6.200 50 HB2 MET 6 1HB MET 6 -5.819 -3.952 -8.245 51 HB3 MET 6 2HB MET 6 -5.293 -5.610 -8.503 52 HG2 MET 6 1HG MET 6 -7.686 -6.308 -8.304 53 HG3 MET 6 2HG MET 6 -8.114 -4.599 -8.290 54 HE1 MET 6 3HE MET 6 -9.017 -3.648 -9.979 55 HE2 MET 6 1HE MET 6 -8.714 -3.805 -11.710 56 HE3 MET 6 2HE MET 6 -9.692 -5.011 -10.873 57 H GLY 7 H GLY 7 -8.448 -5.149 -5.950 58 HA2 GLY 7 1HA GLY 7 -9.356 -3.794 -4.106 59 HA3 GLY 7 2HA GLY 7 -8.252 -2.523 -4.609 60 H VAL 8 H VAL 8 -10.488 -4.596 -6.445 61 HA VAL 8 HA VAL 8 -11.294 -2.552 -8.196 62 HB VAL 8 HB VAL 8 -12.898 -5.011 -7.495 63 HG11 VAL 8 1HG1 VAL 8 -13.587 -4.780 -9.909 64 HG12 VAL 8 2HG1 VAL 8 -14.188 -3.527 -8.822 65 HG13 VAL 8 3HG1 VAL 8 -12.825 -3.190 -9.890 66 HG21 VAL 8 3HG2 VAL 8 -11.240 -6.249 -8.306 67 HG22 VAL 8 1HG2 VAL 8 -11.439 -5.434 -9.858 68 HG23 VAL 8 2HG2 VAL 8 -10.291 -4.808 -8.674 69 H ASP 9 H ASP 9 -12.533 -3.606 -5.096 70 HA ASP 9 HA ASP 9 -15.009 -2.226 -5.220 71 HB2 ASP 9 1HB ASP 9 -13.390 -3.514 -3.071 72 HB3 ASP 9 2HB ASP 9 -14.669 -2.401 -2.591 73 H LYS 10 H LYS 10 -11.765 -1.283 -4.405 74 HA LYS 10 HA LYS 10 -12.500 1.158 -3.086 75 HB2 LYS 10 1HB LYS 10 -9.898 0.046 -4.116 76 HB3 LYS 10 2HB LYS 10 -10.011 1.672 -3.455 77 HG2 LYS 10 1HG LYS 10 -11.111 0.448 -1.423 78 HG3 LYS 10 2HG LYS 10 -10.270 -0.958 -2.081 79 HD2 LYS 10 1HD LYS 10 -8.208 0.614 -2.134 80 HD3 LYS 10 2HD LYS 10 -9.135 1.593 -0.995 81 HE2 LYS 10 1HE LYS 10 -8.970 0.053 0.672 82 HE3 LYS 10 2HE LYS 10 -8.945 -1.312 -0.444 83 HZ1 LYS 10 3HZ LYS 10 -6.668 0.560 -0.142 84 HZ2 LYS 10 1HZ LYS 10 -6.679 -0.942 -0.920 85 HZ3 LYS 10 2HZ LYS 10 -6.815 -0.861 0.764 86 H ILE 11 H ILE 11 -11.088 0.374 -6.261 87 HA ILE 11 HA ILE 11 -11.122 3.030 -7.230 88 HB ILE 11 HB ILE 11 -10.859 2.003 -9.476 89 HG12 ILE 11 1HG1 ILE 11 -10.374 -0.610 -9.181 90 HG13 ILE 11 2HG1 ILE 11 -11.589 -0.428 -7.921 91 HG21 ILE 11 1HG2 ILE 11 -8.877 2.442 -8.243 92 HG22 ILE 11 2HG2 ILE 11 -9.106 1.009 -7.242 93 HG23 ILE 11 3HG2 ILE 11 -8.697 0.836 -8.949 94 HD11 ILE 11 3HD1 ILE 11 -11.995 -0.784 -10.665 95 HD12 ILE 11 1HD1 ILE 11 -13.206 -0.462 -9.424 96 HD13 ILE 11 2HD1 ILE 11 -12.471 0.876 -10.308 97 H LYS 12 H LYS 12 -13.439 0.379 -7.403 98 HA LYS 12 HA LYS 12 -15.222 1.675 -9.204 99 HB2 LYS 12 1HB LYS 12 -15.328 -0.706 -9.042 100 HB3 LYS 12 2HB LYS 12 -15.562 -0.641 -7.300 101 HG2 LYS 12 1HG LYS 12 -17.588 0.738 -8.945 102 HG3 LYS 12 2HG LYS 12 -17.553 -1.025 -9.043 103 HD2 LYS 12 1HD LYS 12 -17.401 0.151 -6.333 104 HD3 LYS 12 2HD LYS 12 -18.940 0.323 -7.180 105 HE2 LYS 12 1HE LYS 12 -17.480 -2.286 -6.792 106 HE3 LYS 12 2HE LYS 12 -18.794 -1.715 -5.766 107 HZ1 LYS 12 3HZ LYS 12 -19.298 -1.796 -8.636 108 HZ2 LYS 12 1HZ LYS 12 -20.336 -2.138 -7.345 109 HZ3 LYS 12 2HZ LYS 12 -19.197 -3.285 -7.840 110 H SER 13 H SER 13 -14.741 1.770 -5.768 111 HA SER 13 HA SER 13 -17.287 3.099 -5.295 112 HB2 SER 13 1HB SER 13 -15.045 2.245 -3.458 113 HB3 SER 13 2HB SER 13 -16.447 3.159 -2.902 114 HG SER 13 HG SER 13 -17.621 1.318 -4.068 115 H LYS 14 H LYS 14 -13.950 3.862 -5.772 116 HA LYS 14 HA LYS 14 -13.834 6.382 -4.537 117 HB2 LYS 14 1HB LYS 14 -11.989 4.855 -5.681 118 HB3 LYS 14 2HB LYS 14 -12.321 5.893 -7.061 119 HG2 LYS 14 1HG LYS 14 -11.358 6.738 -4.340 120 HG3 LYS 14 2HG LYS 14 -10.463 6.789 -5.860 121 HD2 LYS 14 1HD LYS 14 -12.955 8.375 -5.239 122 HD3 LYS 14 2HD LYS 14 -11.307 9.005 -5.209 123 HE2 LYS 14 1HE LYS 14 -11.818 7.676 -7.704 124 HE3 LYS 14 2HE LYS 14 -13.065 8.883 -7.395 125 HZ1 LYS 14 3HZ LYS 14 -11.007 9.661 -8.605 126 HZ2 LYS 14 1HZ LYS 14 -10.183 9.499 -7.136 127 HZ3 LYS 14 2HZ LYS 14 -11.476 10.581 -7.265 128 H ILE 15 H ILE 15 -14.017 5.792 -8.050 129 HA ILE 15 HA ILE 15 -14.777 8.388 -8.736 130 HB ILE 15 HB ILE 15 -15.543 5.905 -10.268 131 HG12 ILE 15 1HG1 ILE 15 -13.175 7.083 -11.301 132 HG13 ILE 15 2HG1 ILE 15 -12.936 6.868 -9.570 133 HG21 ILE 15 1HG2 ILE 15 -15.672 7.274 -12.163 134 HG22 ILE 15 2HG2 ILE 15 -16.461 8.206 -10.892 135 HG23 ILE 15 3HG2 ILE 15 -14.810 8.596 -11.377 136 HD11 ILE 15 3HD1 ILE 15 -14.017 4.476 -10.277 137 HD12 ILE 15 1HD1 ILE 15 -13.081 4.890 -11.712 138 HD13 ILE 15 2HD1 ILE 15 -12.292 4.810 -10.136 139 H LEU 16 H LEU 16 -16.737 5.551 -7.965 140 HA LEU 16 HA LEU 16 -19.242 6.617 -8.646 141 HB2 LEU 16 1HB LEU 16 -18.286 4.425 -6.876 142 HB3 LEU 16 2HB LEU 16 -19.962 4.948 -6.728 143 HG LEU 16 HG LEU 16 -18.652 3.874 -9.226 144 HD11 LEU 16 1HD1 LEU 16 -19.360 2.398 -7.123 145 HD12 LEU 16 2HD1 LEU 16 -19.568 1.849 -8.786 146 HD13 LEU 16 3HD1 LEU 16 -20.935 2.532 -7.906 147 HD21 LEU 16 3HD2 LEU 16 -21.507 3.926 -9.297 148 HD22 LEU 16 1HD2 LEU 16 -20.353 4.701 -10.383 149 HD23 LEU 16 2HD2 LEU 16 -20.904 5.544 -8.935 150 H ASP 17 H ASP 17 -17.782 6.308 -5.403 151 HA ASP 17 HA ASP 17 -19.716 7.865 -4.085 152 HB2 ASP 17 1HB ASP 17 -17.980 6.275 -3.069 153 HB3 ASP 17 2HB ASP 17 -16.849 7.620 -3.189 154 H ASP 18 H ASP 18 -16.682 8.713 -5.654 155 HA ASP 18 HA ASP 18 -16.526 11.376 -4.740 156 HB2 ASP 18 1HB ASP 18 -14.573 10.362 -5.689 157 HB3 ASP 18 2HB ASP 18 -15.411 10.031 -7.203 158 H ALA 19 H ALA 19 -17.607 10.127 -7.903 159 HA ALA 19 HA ALA 19 -18.575 12.582 -8.865 160 HB1 ALA 19 1HB ALA 19 -19.681 11.299 -10.585 161 HB2 ALA 19 2HB ALA 19 -18.080 10.622 -10.284 162 HB3 ALA 19 3HB ALA 19 -19.511 9.822 -9.636 163 H LYS 20 H LYS 20 -20.174 9.958 -7.111 164 HA LYS 20 HA LYS 20 -22.793 10.996 -7.269 165 HB2 LYS 20 1HB LYS 20 -21.451 9.069 -5.387 166 HB3 LYS 20 2HB LYS 20 -23.135 9.534 -5.181 167 HG2 LYS 20 1HG LYS 20 -23.778 8.531 -7.194 168 HG3 LYS 20 2HG LYS 20 -22.114 8.430 -7.775 169 HD2 LYS 20 1HD LYS 20 -22.912 6.239 -7.079 170 HD3 LYS 20 2HD LYS 20 -21.612 6.789 -6.019 171 HE2 LYS 20 1HE LYS 20 -23.291 7.521 -4.377 172 HE3 LYS 20 2HE LYS 20 -24.569 6.922 -5.432 173 HZ1 LYS 20 3HZ LYS 20 -24.075 5.314 -3.725 174 HZ2 LYS 20 1HZ LYS 20 -22.440 5.289 -4.160 175 HZ3 LYS 20 2HZ LYS 20 -23.608 4.694 -5.228 176 H ALA 21 H ALA 21 -20.204 11.406 -4.898 177 HA ALA 21 HA ALA 21 -21.710 12.872 -3.010 178 HB1 ALA 21 1HB ALA 21 -19.610 11.806 -2.420 179 HB2 ALA 21 2HB ALA 21 -18.737 12.879 -3.515 180 HB3 ALA 21 3HB ALA 21 -19.536 13.537 -2.087 181 H GLU 22 H GLU 22 -19.725 13.849 -5.770 182 HA GLU 22 HA GLU 22 -19.763 16.614 -5.321 183 HB2 GLU 22 1HB GLU 22 -18.626 14.972 -7.184 184 HB3 GLU 22 2HB GLU 22 -19.863 15.776 -8.140 185 HG2 GLU 22 1HG GLU 22 -18.964 17.927 -7.622 186 HG3 GLU 22 2HG GLU 22 -17.837 17.229 -6.460 187 H ALA 23 H ALA 23 -22.020 14.503 -7.033 188 HA ALA 23 HA ALA 23 -23.705 16.689 -7.860 189 HB1 ALA 23 1HB ALA 23 -25.228 14.468 -8.224 190 HB2 ALA 23 2HB ALA 23 -24.064 15.091 -9.394 191 HB3 ALA 23 3HB ALA 23 -23.600 13.792 -8.296 192 H ASN 24 H ASN 24 -23.418 14.657 -5.100 193 HA ASN 24 HA ASN 24 -26.138 15.065 -4.202 194 HB2 ASN 24 1HB ASN 24 -23.778 13.528 -3.269 195 HB3 ASN 24 2HB ASN 24 -24.901 14.066 -2.024 196 HD21 ASN 24 2HD2 ASN 24 -24.169 11.444 -3.527 197 HD22 ASN 24 1HD2 ASN 24 -25.719 10.741 -3.829 198 H LYS 25 H LYS 25 -23.038 16.554 -3.808 199 HA LYS 25 HA LYS 25 -23.894 18.110 -1.501 200 HB2 LYS 25 1HB LYS 25 -21.421 17.205 -2.410 201 HB3 LYS 25 2HB LYS 25 -21.386 18.936 -2.717 202 HG2 LYS 25 1HG LYS 25 -20.454 18.437 -0.542 203 HG3 LYS 25 2HG LYS 25 -21.949 19.360 -0.374 204 HD2 LYS 25 1HD LYS 25 -23.016 17.673 0.669 205 HD3 LYS 25 2HD LYS 25 -22.297 16.443 -0.373 206 HE2 LYS 25 1HE LYS 25 -20.423 16.225 0.957 207 HE3 LYS 25 2HE LYS 25 -20.600 17.836 1.651 208 HZ1 LYS 25 3HZ LYS 25 -21.536 16.849 3.385 209 HZ2 LYS 25 1HZ LYS 25 -21.606 15.352 2.599 210 HZ3 LYS 25 2HZ LYS 25 -22.860 16.469 2.404 211 H ILE 26 H ILE 26 -23.785 18.363 -4.916 212 HA ILE 26 HA ILE 26 -23.845 21.262 -4.949 213 HB ILE 26 HB ILE 26 -22.787 19.762 -6.753 214 HG12 ILE 26 1HG1 ILE 26 -23.463 21.374 -8.553 215 HG13 ILE 26 2HG1 ILE 26 -24.681 22.014 -7.455 216 HG21 ILE 26 1HG2 ILE 26 -25.485 19.761 -8.019 217 HG22 ILE 26 2HG2 ILE 26 -24.094 18.723 -8.329 218 HG23 ILE 26 3HG2 ILE 26 -25.069 18.480 -6.880 219 HD11 ILE 26 3HD1 ILE 26 -22.196 22.006 -6.096 220 HD12 ILE 26 1HD1 ILE 26 -21.956 22.729 -7.686 221 HD13 ILE 26 2HD1 ILE 26 -23.179 23.382 -6.595 222 H ILE 27 H ILE 27 -26.074 18.603 -5.005 223 HA ILE 27 HA ILE 27 -28.305 20.128 -5.985 224 HB ILE 27 HB ILE 27 -29.656 18.154 -5.274 225 HG12 ILE 27 1HG1 ILE 27 -27.573 16.271 -4.890 226 HG13 ILE 27 2HG1 ILE 27 -27.274 17.600 -3.775 227 HG21 ILE 27 1HG2 ILE 27 -28.266 16.531 -6.827 228 HG22 ILE 27 2HG2 ILE 27 -29.081 17.954 -7.473 229 HG23 ILE 27 3HG2 ILE 27 -27.350 18.005 -7.140 230 HD11 ILE 27 3HD1 ILE 27 -28.700 16.582 -2.416 231 HD12 ILE 27 1HD1 ILE 27 -29.972 17.139 -3.503 232 HD13 ILE 27 2HD1 ILE 27 -29.291 15.523 -3.697 233 H SER 28 H SER 28 -26.968 19.296 -2.863 234 HA SER 28 HA SER 28 -29.276 20.243 -1.404 235 HB2 SER 28 1HB SER 28 -27.725 19.902 0.592 236 HB3 SER 28 2HB SER 28 -28.100 18.463 -0.356 237 HG SER 28 HG SER 28 -25.715 19.524 0.171 238 H GLU 29 H GLU 29 -25.891 21.292 -1.775 239 HA GLU 29 HA GLU 29 -26.103 23.664 -0.312 240 HB2 GLU 29 1HB GLU 29 -24.040 22.401 -1.407 241 HB3 GLU 29 2HB GLU 29 -24.307 23.572 -2.691 242 HG2 GLU 29 1HG GLU 29 -22.779 24.670 -1.392 243 HG3 GLU 29 2HG GLU 29 -24.293 25.298 -0.743 244 H ALA 30 H ALA 30 -27.214 22.858 -3.472 245 HA ALA 30 HA ALA 30 -27.462 25.597 -4.365 246 HB1 ALA 30 1HB ALA 30 -28.675 24.537 -6.298 247 HB2 ALA 30 2HB ALA 30 -27.010 24.003 -6.063 248 HB3 ALA 30 3HB ALA 30 -28.347 22.975 -5.548 249 H GLU 31 H GLU 31 -29.889 23.000 -4.028 250 HA GLU 31 HA GLU 31 -32.139 24.593 -4.058 251 HB2 GLU 31 1HB GLU 31 -31.792 22.075 -2.423 252 HB3 GLU 31 2HB GLU 31 -33.313 22.757 -2.983 253 HG2 GLU 31 1HG GLU 31 -31.433 22.270 -5.145 254 HG3 GLU 31 2HG GLU 31 -31.842 20.811 -4.244 255 H ALA 32 H ALA 32 -29.885 24.037 -1.469 256 HA ALA 32 HA ALA 32 -31.521 24.984 0.655 257 HB1 ALA 32 1HB ALA 32 -28.511 24.890 0.485 258 HB2 ALA 32 2HB ALA 32 -29.472 25.062 1.955 259 HB3 ALA 32 3HB ALA 32 -29.549 23.568 1.021 260 H GLU 33 H GLU 33 -28.571 26.534 -0.610 261 HA GLU 33 HA GLU 33 -29.068 29.058 0.415 262 HB2 GLU 33 1HB GLU 33 -27.429 29.888 -1.176 263 HB3 GLU 33 2HB GLU 33 -26.902 28.345 -0.518 264 HG2 GLU 33 1HG GLU 33 -26.435 28.019 -2.718 265 HG3 GLU 33 2HG GLU 33 -28.082 27.396 -2.662 266 H LYS 34 H LYS 34 -30.121 27.630 -2.627 267 HA LYS 34 HA LYS 34 -31.119 29.933 -3.862 268 HB2 LYS 34 1HB LYS 34 -30.885 27.940 -5.154 269 HB3 LYS 34 2HB LYS 34 -31.931 27.035 -4.069 270 HG2 LYS 34 1HG LYS 34 -33.822 28.476 -4.767 271 HG3 LYS 34 2HG LYS 34 -32.750 29.248 -5.938 272 HD2 LYS 34 1HD LYS 34 -32.864 27.512 -7.361 273 HD3 LYS 34 2HD LYS 34 -32.758 26.320 -6.063 274 HE2 LYS 34 1HE LYS 34 -34.985 26.077 -5.951 275 HE3 LYS 34 2HE LYS 34 -35.275 27.809 -6.106 276 HZ1 LYS 34 3HZ LYS 34 -35.083 27.665 -8.453 277 HZ2 LYS 34 1HZ LYS 34 -36.140 26.435 -7.972 278 HZ3 LYS 34 2HZ LYS 34 -34.544 26.063 -8.389 279 H ALA 35 H ALA 35 -33.030 27.425 -2.188 280 HA ALA 35 HA ALA 35 -35.410 28.884 -2.080 281 HB1 ALA 35 1HB ALA 35 -36.083 27.300 -0.309 282 HB2 ALA 35 2HB ALA 35 -35.381 26.499 -1.715 283 HB3 ALA 35 3HB ALA 35 -34.424 26.703 -0.247 284 H LYS 36 H LYS 36 -32.519 29.280 -0.322 285 HA LYS 36 HA LYS 36 -33.731 30.530 1.984 286 HB2 LYS 36 1HB LYS 36 -31.504 29.233 1.911 287 HB3 LYS 36 2HB LYS 36 -30.824 30.703 1.225 288 HG2 LYS 36 1HG LYS 36 -31.103 31.903 3.177 289 HG3 LYS 36 2HG LYS 36 -32.362 30.824 3.782 290 HD2 LYS 36 1HD LYS 36 -30.368 30.447 5.059 291 HD3 LYS 36 2HD LYS 36 -30.630 29.046 4.018 292 HE2 LYS 36 1HE LYS 36 -28.995 29.933 2.424 293 HE3 LYS 36 2HE LYS 36 -28.734 31.329 3.469 294 HZ1 LYS 36 3HZ LYS 36 -27.020 29.648 3.770 295 HZ2 LYS 36 1HZ LYS 36 -28.188 28.503 4.204 296 HZ3 LYS 36 2HZ LYS 36 -27.917 29.851 5.190 297 H ILE 37 H ILE 37 -31.695 31.623 -0.728 298 HA ILE 37 HA ILE 37 -32.001 34.389 -0.069 299 HB ILE 37 HB ILE 37 -30.952 34.806 -2.281 300 HG12 ILE 37 1HG1 ILE 37 -30.221 32.023 -2.752 301 HG13 ILE 37 2HG1 ILE 37 -31.954 32.292 -2.908 302 HG21 ILE 37 1HG2 ILE 37 -28.896 33.157 -1.633 303 HG22 ILE 37 2HG2 ILE 37 -29.232 34.697 -0.844 304 HG23 ILE 37 3HG2 ILE 37 -29.800 33.192 -0.120 305 HD11 ILE 37 3HD1 ILE 37 -30.883 32.532 -5.048 306 HD12 ILE 37 1HD1 ILE 37 -31.498 34.096 -4.515 307 HD13 ILE 37 2HD1 ILE 37 -29.775 33.738 -4.394 308 H LEU 38 H LEU 38 -33.703 32.118 -2.089 309 HA LEU 38 HA LEU 38 -35.089 33.964 -3.714 310 HB2 LEU 38 1HB LEU 38 -35.333 31.105 -3.023 311 HB3 LEU 38 2HB LEU 38 -36.802 31.889 -3.601 312 HG LEU 38 HG LEU 38 -35.586 30.743 -5.397 313 HD11 LEU 38 1HD1 LEU 38 -36.483 33.441 -5.381 314 HD12 LEU 38 2HD1 LEU 38 -36.506 32.275 -6.704 315 HD13 LEU 38 3HD1 LEU 38 -35.101 33.314 -6.469 316 HD21 LEU 38 3HD2 LEU 38 -33.368 32.530 -4.481 317 HD22 LEU 38 1HD2 LEU 38 -33.448 31.991 -6.158 318 HD23 LEU 38 2HD2 LEU 38 -33.335 30.807 -4.856 319 H GLU 39 H GLU 39 -35.780 32.567 -0.553 320 HA GLU 39 HA GLU 39 -38.336 33.954 -0.407 321 HB2 GLU 39 1HB GLU 39 -38.766 32.709 1.551 322 HB3 GLU 39 2HB GLU 39 -37.952 31.595 0.463 323 HG2 GLU 39 1HG GLU 39 -36.851 31.156 2.407 324 HG3 GLU 39 2HG GLU 39 -35.809 32.405 1.729 325 H LYS 40 H LYS 40 -35.079 34.206 0.806 326 HA LYS 40 HA LYS 40 -35.666 36.124 2.847 327 HB2 LYS 40 1HB LYS 40 -33.672 34.654 2.906 328 HB3 LYS 40 2HB LYS 40 -33.029 35.499 1.505 329 HG2 LYS 40 1HG LYS 40 -32.149 37.069 2.792 330 HG3 LYS 40 2HG LYS 40 -33.712 37.389 3.547 331 HD2 LYS 40 1HD LYS 40 -33.251 36.103 5.355 332 HD3 LYS 40 2HD LYS 40 -32.320 34.933 4.417 333 HE2 LYS 40 1HE LYS 40 -30.998 37.492 4.462 334 HE3 LYS 40 2HE LYS 40 -31.336 36.939 6.101 335 HZ1 LYS 40 3HZ LYS 40 -29.415 35.837 5.803 336 HZ2 LYS 40 1HZ LYS 40 -29.524 35.846 4.115 337 HZ3 LYS 40 2HZ LYS 40 -30.392 34.706 5.013 338 H ALA 41 H ALA 41 -34.330 36.314 -0.437 339 HA ALA 41 HA ALA 41 -33.957 39.113 -0.455 340 HB1 ALA 41 1HB ALA 41 -33.640 38.906 -2.819 341 HB2 ALA 41 2HB ALA 41 -32.898 37.509 -2.039 342 HB3 ALA 41 3HB ALA 41 -34.459 37.345 -2.843 343 H LYS 42 H LYS 42 -36.521 37.139 -1.964 344 HA LYS 42 HA LYS 42 -38.116 39.219 -2.871 345 HB2 LYS 42 1HB LYS 42 -38.601 36.370 -2.147 346 HB3 LYS 42 2HB LYS 42 -40.005 37.406 -2.373 347 HG2 LYS 42 1HG LYS 42 -39.435 36.213 -4.417 348 HG3 LYS 42 2HG LYS 42 -39.260 37.958 -4.621 349 HD2 LYS 42 1HD LYS 42 -36.859 36.452 -3.754 350 HD3 LYS 42 2HD LYS 42 -37.399 36.213 -5.417 351 HE2 LYS 42 1HE LYS 42 -37.546 38.896 -5.255 352 HE3 LYS 42 2HE LYS 42 -36.234 38.594 -4.117 353 HZ1 LYS 42 3HZ LYS 42 -35.027 37.431 -5.818 354 HZ2 LYS 42 1HZ LYS 42 -35.457 38.960 -6.402 355 HZ3 LYS 42 2HZ LYS 42 -36.309 37.591 -6.910 356 H GLU 43 H GLU 43 -37.793 37.876 0.336 357 HA GLU 43 HA GLU 43 -40.126 39.201 1.380 358 HB2 GLU 43 1HB GLU 43 -39.325 37.083 2.342 359 HB3 GLU 43 2HB GLU 43 -37.826 37.868 2.821 360 HG2 GLU 43 1HG GLU 43 -38.838 39.077 4.503 361 HG3 GLU 43 2HG GLU 43 -40.438 38.946 3.776 362 H GLU 44 H GLU 44 -36.672 39.497 2.235 363 HA GLU 44 HA GLU 44 -36.834 41.852 3.658 364 HB2 GLU 44 1HB GLU 44 -34.469 42.106 3.308 365 HB3 GLU 44 2HB GLU 44 -34.821 40.393 3.479 366 HG2 GLU 44 1HG GLU 44 -34.927 40.438 0.879 367 HG3 GLU 44 2HG GLU 44 -33.996 41.923 1.060 368 H ALA 45 H ALA 45 -36.597 41.391 0.176 369 HA ALA 45 HA ALA 45 -36.219 44.143 -0.457 370 HB1 ALA 45 1HB ALA 45 -35.571 42.305 -1.967 371 HB2 ALA 45 2HB ALA 45 -37.278 41.939 -2.222 372 HB3 ALA 45 3HB ALA 45 -36.621 43.488 -2.749 373 H GLU 46 H GLU 46 -39.035 42.039 -0.172 374 HA GLU 46 HA GLU 46 -40.912 43.889 -1.222 375 HB2 GLU 46 1HB GLU 46 -41.033 41.323 0.266 376 HB3 GLU 46 2HB GLU 46 -42.461 42.347 0.336 377 HG2 GLU 46 1HG GLU 46 -41.189 41.682 -2.286 378 HG3 GLU 46 2HG GLU 46 -42.291 40.552 -1.501 379 H LYS 47 H LYS 47 -40.065 42.981 2.113 380 HA LYS 47 HA LYS 47 -41.778 44.914 3.309 381 HB2 LYS 47 1HB LYS 47 -40.528 44.378 5.391 382 HB3 LYS 47 2HB LYS 47 -41.139 42.953 4.561 383 HG2 LYS 47 1HG LYS 47 -38.681 43.112 3.477 384 HG3 LYS 47 2HG LYS 47 -38.372 43.811 5.068 385 HD2 LYS 47 1HD LYS 47 -40.026 41.457 5.279 386 HD3 LYS 47 2HD LYS 47 -38.531 41.099 4.412 387 HE2 LYS 47 1HE LYS 47 -37.226 42.029 6.239 388 HE3 LYS 47 2HE LYS 47 -38.703 42.473 7.093 389 HZ1 LYS 47 3HZ LYS 47 -37.361 40.182 7.469 390 HZ2 LYS 47 1HZ LYS 47 -38.532 39.686 6.353 391 HZ3 LYS 47 2HZ LYS 47 -39.003 40.390 7.816 392 H ARG 48 H ARG 48 -38.302 44.814 2.619 393 HA ARG 48 HA ARG 48 -38.204 47.713 3.147 394 HB2 ARG 48 1HB ARG 48 -36.518 45.544 4.101 395 HB3 ARG 48 2HB ARG 48 -35.583 46.785 3.278 396 HG2 ARG 48 1HG ARG 48 -35.744 48.156 5.012 397 HG3 ARG 48 2HG ARG 48 -37.498 47.970 5.072 398 HD2 ARG 48 1HD ARG 48 -37.398 46.235 6.583 399 HD3 ARG 48 2HD ARG 48 -35.765 45.774 6.103 400 HE ARG 48 HE ARG 48 -34.938 47.230 7.659 401 HH11 ARG 48 1HH1 ARG 48 -38.286 47.980 7.069 402 HH12 ARG 48 2HH1 ARG 48 -38.387 49.143 8.350 403 HH21 ARG 48 1HH2 ARG 48 -35.058 48.758 9.349 404 HH22 ARG 48 2HH2 ARG 48 -36.550 49.585 9.645 405 H LYS 49 H LYS 49 -37.413 49.009 1.583 406 HA LYS 49 HA LYS 49 -37.314 48.206 -1.063 407 HB2 LYS 49 1HB LYS 49 -36.473 50.368 -1.577 408 HB3 LYS 49 2HB LYS 49 -37.517 50.564 -0.175 409 HG2 LYS 49 1HG LYS 49 -35.551 50.603 1.280 410 HG3 LYS 49 2HG LYS 49 -34.508 50.422 -0.133 411 HD2 LYS 49 1HD LYS 49 -36.368 52.603 -0.486 412 HD3 LYS 49 2HD LYS 49 -35.427 52.806 0.993 413 HE2 LYS 49 1HE LYS 49 -33.905 53.716 -0.391 414 HE3 LYS 49 2HE LYS 49 -33.492 52.037 -0.734 415 HZ1 LYS 49 3HZ LYS 49 -33.775 53.185 -2.788 416 HZ2 LYS 49 1HZ LYS 49 -35.283 53.793 -2.320 417 HZ3 LYS 49 2HZ LYS 49 -35.090 52.137 -2.606 418 H ALA 50 H ALA 50 -35.653 47.786 -2.527 419 HA ALA 50 HA ALA 50 -32.934 47.501 -1.532 420 HB1 ALA 50 1HB ALA 50 -33.008 45.126 -2.701 421 HB2 ALA 50 2HB ALA 50 -33.421 45.340 -1.000 422 HB3 ALA 50 3HB ALA 50 -34.700 45.213 -2.208 423 H GLU 51 H GLU 51 -34.719 46.216 -4.336 424 HA GLU 51 HA GLU 51 -32.764 46.718 -6.229 425 HB2 GLU 51 1HB GLU 51 -35.534 45.938 -6.228 426 HB3 GLU 51 2HB GLU 51 -35.238 47.075 -7.536 427 HG2 GLU 51 1HG GLU 51 -33.756 44.502 -7.045 428 HG3 GLU 51 2HG GLU 51 -34.960 44.796 -8.298 429 H ILE 52 H ILE 52 -35.119 48.883 -4.843 430 HA ILE 52 HA ILE 52 -34.438 50.992 -6.748 431 HB ILE 52 HB ILE 52 -36.421 51.088 -4.474 432 HG12 ILE 52 1HG1 ILE 52 -37.076 49.377 -6.084 433 HG13 ILE 52 2HG1 ILE 52 -38.139 50.773 -6.223 434 HG21 ILE 52 1HG2 ILE 52 -35.322 53.126 -6.032 435 HG22 ILE 52 2HG2 ILE 52 -36.930 52.845 -6.697 436 HG23 ILE 52 3HG2 ILE 52 -36.738 53.227 -4.987 437 HD11 ILE 52 3HD1 ILE 52 -37.502 49.839 -8.397 438 HD12 ILE 52 1HD1 ILE 52 -36.968 51.508 -8.200 439 HD13 ILE 52 2HD1 ILE 52 -35.811 50.186 -8.036 Start of MODEL 8 1 H1 MET 1 H MET 1 -6.290 -10.514 5.121 2 HA MET 1 HA MET 1 -4.555 -8.751 3.648 3 HB2 MET 1 1HB MET 1 -4.123 -11.388 5.042 4 HB3 MET 1 2HB MET 1 -2.848 -10.578 4.142 5 HG2 MET 1 1HG MET 1 -3.887 -8.623 5.826 6 HG3 MET 1 2HG MET 1 -3.820 -10.086 6.806 7 HE1 MET 1 3HE MET 1 -1.889 -6.994 6.179 8 HE2 MET 1 1HE MET 1 -0.386 -7.488 5.401 9 HE3 MET 1 2HE MET 1 -1.916 -7.635 4.536 10 H ALA 2 H ALA 2 -5.958 -9.046 1.666 11 HA ALA 2 HA ALA 2 -4.585 -10.664 -0.206 12 HB1 ALA 2 1HB ALA 2 -7.013 -11.785 1.025 13 HB2 ALA 2 2HB ALA 2 -6.938 -11.873 -0.736 14 HB3 ALA 2 3HB ALA 2 -5.657 -12.595 0.239 15 H VAL 3 H VAL 3 -7.513 -8.875 0.595 16 HA VAL 3 HA VAL 3 -8.072 -8.204 -2.155 17 HB VAL 3 HB VAL 3 -9.266 -6.978 0.333 18 HG11 VAL 3 1HG1 VAL 3 -11.208 -6.651 -1.291 19 HG12 VAL 3 2HG1 VAL 3 -9.797 -5.612 -1.500 20 HG13 VAL 3 3HG1 VAL 3 -10.042 -6.994 -2.569 21 HG21 VAL 3 3HG2 VAL 3 -9.995 -9.080 0.706 22 HG22 VAL 3 1HG2 VAL 3 -11.156 -8.685 -0.562 23 HG23 VAL 3 2HG2 VAL 3 -9.696 -9.592 -0.955 24 H LYS 4 H LYS 4 -6.402 -6.776 0.551 25 HA LYS 4 HA LYS 4 -6.332 -4.104 -0.139 26 HB2 LYS 4 1HB LYS 4 -4.996 -5.770 1.679 27 HB3 LYS 4 2HB LYS 4 -3.725 -4.979 0.757 28 HG2 LYS 4 1HG LYS 4 -3.990 -3.123 1.927 29 HG3 LYS 4 2HG LYS 4 -5.692 -3.041 1.466 30 HD2 LYS 4 1HD LYS 4 -4.822 -4.905 3.637 31 HD3 LYS 4 2HD LYS 4 -5.030 -3.187 3.984 32 HE2 LYS 4 1HE LYS 4 -7.243 -3.406 4.048 33 HE3 LYS 4 2HE LYS 4 -7.262 -4.190 2.469 34 HZ1 LYS 4 3HZ LYS 4 -6.986 -6.291 3.444 35 HZ2 LYS 4 1HZ LYS 4 -8.154 -5.521 4.395 36 HZ3 LYS 4 2HZ LYS 4 -6.561 -5.646 4.949 37 H LEU 5 H LEU 5 -4.627 -6.795 -1.569 38 HA LEU 5 HA LEU 5 -2.621 -5.448 -2.955 39 HB2 LEU 5 1HB LEU 5 -3.942 -8.042 -3.100 40 HB3 LEU 5 2HB LEU 5 -3.373 -7.469 -4.667 41 HG LEU 5 HG LEU 5 -1.725 -8.915 -3.626 42 HD11 LEU 5 1HD1 LEU 5 0.087 -7.652 -4.185 43 HD12 LEU 5 2HD1 LEU 5 -0.498 -6.227 -3.329 44 HD13 LEU 5 3HD1 LEU 5 -1.189 -6.661 -4.892 45 HD21 LEU 5 3HD2 LEU 5 -1.090 -6.993 -1.478 46 HD22 LEU 5 1HD2 LEU 5 -0.996 -8.755 -1.495 47 HD23 LEU 5 2HD2 LEU 5 -2.551 -7.957 -1.257 48 H MET 6 H MET 6 -5.515 -6.746 -4.570 49 HA MET 6 HA MET 6 -5.320 -5.104 -6.817 50 HB2 MET 6 1HB MET 6 -7.509 -6.734 -5.601 51 HB3 MET 6 2HB MET 6 -7.905 -5.634 -6.915 52 HG2 MET 6 1HG MET 6 -6.544 -6.775 -8.434 53 HG3 MET 6 2HG MET 6 -5.686 -7.631 -7.155 54 HE1 MET 6 3HE MET 6 -5.637 -9.639 -7.703 55 HE2 MET 6 1HE MET 6 -6.847 -10.734 -7.032 56 HE3 MET 6 2HE MET 6 -6.778 -10.457 -8.772 57 H GLY 7 H GLY 7 -8.024 -4.849 -4.518 58 HA2 GLY 7 1HA GLY 7 -8.814 -2.953 -3.406 59 HA3 GLY 7 2HA GLY 7 -7.575 -1.996 -4.205 60 H VAL 8 H VAL 8 -9.671 -4.107 -6.016 61 HA VAL 8 HA VAL 8 -10.486 -2.101 -7.794 62 HB VAL 8 HB VAL 8 -11.894 -4.715 -7.235 63 HG11 VAL 8 1HG1 VAL 8 -12.204 -2.602 -9.278 64 HG12 VAL 8 2HG1 VAL 8 -12.269 -4.270 -9.850 65 HG13 VAL 8 3HG1 VAL 8 -13.393 -3.718 -8.608 66 HG21 VAL 8 3HG2 VAL 8 -9.320 -4.141 -8.415 67 HG22 VAL 8 1HG2 VAL 8 -10.049 -5.694 -8.005 68 HG23 VAL 8 2HG2 VAL 8 -10.388 -4.944 -9.565 69 H ASP 9 H ASP 9 -11.905 -3.285 -4.820 70 HA ASP 9 HA ASP 9 -14.454 -2.081 -5.143 71 HB2 ASP 9 1HB ASP 9 -12.933 -3.287 -2.879 72 HB3 ASP 9 2HB ASP 9 -14.316 -2.266 -2.493 73 H LYS 10 H LYS 10 -11.365 -0.922 -4.048 74 HA LYS 10 HA LYS 10 -12.380 1.442 -2.777 75 HB2 LYS 10 1HB LYS 10 -10.186 0.321 -2.229 76 HB3 LYS 10 2HB LYS 10 -9.567 0.941 -3.754 77 HG2 LYS 10 1HG LYS 10 -9.644 3.152 -3.029 78 HG3 LYS 10 2HG LYS 10 -10.754 2.777 -1.709 79 HD2 LYS 10 1HD LYS 10 -8.918 1.417 -0.675 80 HD3 LYS 10 2HD LYS 10 -7.835 2.051 -1.917 81 HE2 LYS 10 1HE LYS 10 -7.471 3.494 -0.141 82 HE3 LYS 10 2HE LYS 10 -8.657 4.367 -1.110 83 HZ1 LYS 10 3HZ LYS 10 -10.133 2.811 0.602 84 HZ2 LYS 10 1HZ LYS 10 -9.879 4.479 0.720 85 HZ3 LYS 10 2HZ LYS 10 -8.873 3.409 1.559 86 H ILE 11 H ILE 11 -10.659 0.804 -5.829 87 HA ILE 11 HA ILE 11 -10.806 3.465 -6.776 88 HB ILE 11 HB ILE 11 -10.278 2.494 -8.999 89 HG12 ILE 11 1HG1 ILE 11 -9.630 -0.080 -8.690 90 HG13 ILE 11 2HG1 ILE 11 -10.956 -0.007 -7.534 91 HG21 ILE 11 1HG2 ILE 11 -8.407 1.058 -7.246 92 HG22 ILE 11 2HG2 ILE 11 -8.106 2.314 -8.446 93 HG23 ILE 11 3HG2 ILE 11 -8.674 2.752 -6.835 94 HD11 ILE 11 3HD1 ILE 11 -11.105 -0.348 -10.306 95 HD12 ILE 11 1HD1 ILE 11 -12.435 -0.135 -9.167 96 HD13 ILE 11 2HD1 ILE 11 -11.731 1.267 -9.973 97 H LYS 12 H LYS 12 -12.899 0.656 -7.160 98 HA LYS 12 HA LYS 12 -14.616 1.841 -9.098 99 HB2 LYS 12 1HB LYS 12 -14.549 -0.546 -8.956 100 HB3 LYS 12 2HB LYS 12 -14.951 -0.516 -7.244 101 HG2 LYS 12 1HG LYS 12 -16.936 0.771 -8.969 102 HG3 LYS 12 2HG LYS 12 -16.720 -0.957 -9.257 103 HD2 LYS 12 1HD LYS 12 -17.877 -1.444 -7.422 104 HD3 LYS 12 2HD LYS 12 -16.788 -0.463 -6.438 105 HE2 LYS 12 1HE LYS 12 -18.131 1.405 -6.576 106 HE3 LYS 12 2HE LYS 12 -18.884 0.881 -8.082 107 HZ1 LYS 12 3HZ LYS 12 -19.335 -0.526 -5.517 108 HZ2 LYS 12 1HZ LYS 12 -20.234 -0.643 -6.946 109 HZ3 LYS 12 2HZ LYS 12 -20.301 0.769 -6.018 110 H SER 13 H SER 13 -14.426 1.934 -5.636 111 HA SER 13 HA SER 13 -17.096 3.066 -5.371 112 HB2 SER 13 1HB SER 13 -16.396 1.484 -3.661 113 HB3 SER 13 2HB SER 13 -14.968 2.456 -3.306 114 HG SER 13 HG SER 13 -16.596 2.897 -1.806 115 H LYS 14 H LYS 14 -13.796 4.071 -5.557 116 HA LYS 14 HA LYS 14 -13.963 6.572 -4.290 117 HB2 LYS 14 1HB LYS 14 -11.926 5.199 -5.293 118 HB3 LYS 14 2HB LYS 14 -12.218 6.232 -6.686 119 HG2 LYS 14 1HG LYS 14 -11.546 7.103 -3.886 120 HG3 LYS 14 2HG LYS 14 -10.532 7.238 -5.325 121 HD2 LYS 14 1HD LYS 14 -13.174 8.637 -4.901 122 HD3 LYS 14 2HD LYS 14 -11.581 9.380 -4.732 123 HE2 LYS 14 1HE LYS 14 -11.781 8.056 -7.269 124 HE3 LYS 14 2HE LYS 14 -13.145 9.152 -7.058 125 HZ1 LYS 14 3HZ LYS 14 -10.944 10.031 -8.052 126 HZ2 LYS 14 1HZ LYS 14 -10.421 10.078 -6.444 127 HZ3 LYS 14 2HZ LYS 14 -11.773 10.975 -6.920 128 H ILE 15 H ILE 15 -13.801 6.040 -7.813 129 HA ILE 15 HA ILE 15 -14.688 8.582 -8.535 130 HB ILE 15 HB ILE 15 -15.158 6.075 -10.146 131 HG12 ILE 15 1HG1 ILE 15 -12.802 7.421 -10.976 132 HG13 ILE 15 2HG1 ILE 15 -12.687 7.205 -9.233 133 HG21 ILE 15 1HG2 ILE 15 -16.269 7.956 -11.097 134 HG22 ILE 15 2HG2 ILE 15 -14.852 8.980 -10.873 135 HG23 ILE 15 3HG2 ILE 15 -14.813 7.667 -12.049 136 HD11 ILE 15 3HD1 ILE 15 -11.861 5.202 -9.753 137 HD12 ILE 15 1HD1 ILE 15 -13.542 4.752 -10.037 138 HD13 ILE 15 2HD1 ILE 15 -12.520 5.245 -11.388 139 H LEU 16 H LEU 16 -16.506 5.609 -7.949 140 HA LEU 16 HA LEU 16 -19.015 6.516 -8.819 141 HB2 LEU 16 1HB LEU 16 -18.034 4.348 -7.048 142 HB3 LEU 16 2HB LEU 16 -19.741 4.773 -6.941 143 HG LEU 16 HG LEU 16 -19.185 2.847 -8.459 144 HD11 LEU 16 1HD1 LEU 16 -21.274 3.555 -8.945 145 HD12 LEU 16 2HD1 LEU 16 -20.501 4.074 -10.443 146 HD13 LEU 16 3HD1 LEU 16 -20.780 5.236 -9.146 147 HD21 LEU 16 3HD2 LEU 16 -18.341 4.819 -10.518 148 HD22 LEU 16 1HD2 LEU 16 -17.985 3.097 -10.386 149 HD23 LEU 16 2HD2 LEU 16 -17.140 4.253 -9.356 150 H ASP 17 H ASP 17 -17.819 6.232 -5.467 151 HA ASP 17 HA ASP 17 -19.946 7.638 -4.293 152 HB2 ASP 17 1HB ASP 17 -17.108 7.226 -3.334 153 HB3 ASP 17 2HB ASP 17 -18.401 7.895 -2.342 154 H ASP 18 H ASP 18 -16.867 8.717 -5.609 155 HA ASP 18 HA ASP 18 -16.968 11.369 -4.649 156 HB2 ASP 18 1HB ASP 18 -14.906 10.349 -5.510 157 HB3 ASP 18 2HB ASP 18 -15.609 10.283 -7.124 158 H ALA 19 H ALA 19 -17.699 10.106 -7.906 159 HA ALA 19 HA ALA 19 -18.695 12.463 -8.992 160 HB1 ALA 19 1HB ALA 19 -19.621 11.143 -10.729 161 HB2 ALA 19 2HB ALA 19 -18.142 10.332 -10.213 162 HB3 ALA 19 3HB ALA 19 -19.711 9.719 -9.692 163 H LYS 20 H LYS 20 -20.444 9.847 -7.339 164 HA LYS 20 HA LYS 20 -23.013 10.970 -7.593 165 HB2 LYS 20 1HB LYS 20 -21.762 8.829 -5.979 166 HB3 LYS 20 2HB LYS 20 -23.245 9.513 -5.327 167 HG2 LYS 20 1HG LYS 20 -24.364 8.134 -6.648 168 HG3 LYS 20 2HG LYS 20 -23.783 9.075 -8.024 169 HD2 LYS 20 1HD LYS 20 -21.954 7.027 -6.900 170 HD3 LYS 20 2HD LYS 20 -23.360 6.453 -7.799 171 HE2 LYS 20 1HE LYS 20 -21.952 8.650 -9.109 172 HE3 LYS 20 2HE LYS 20 -20.957 7.211 -8.888 173 HZ1 LYS 20 3HZ LYS 20 -23.503 6.445 -9.805 174 HZ2 LYS 20 1HZ LYS 20 -22.004 6.249 -10.565 175 HZ3 LYS 20 2HZ LYS 20 -22.905 7.657 -10.823 176 H ALA 21 H ALA 21 -20.516 11.308 -5.124 177 HA ALA 21 HA ALA 21 -22.062 12.748 -3.253 178 HB1 ALA 21 1HB ALA 21 -19.081 12.717 -3.702 179 HB2 ALA 21 2HB ALA 21 -19.883 13.432 -2.303 180 HB3 ALA 21 3HB ALA 21 -19.995 11.696 -2.593 181 H GLU 22 H GLU 22 -20.014 13.774 -5.949 182 HA GLU 22 HA GLU 22 -20.072 16.531 -5.456 183 HB2 GLU 22 1HB GLU 22 -18.874 14.932 -7.309 184 HB3 GLU 22 2HB GLU 22 -20.099 15.724 -8.289 185 HG2 GLU 22 1HG GLU 22 -18.998 17.654 -8.300 186 HG3 GLU 22 2HG GLU 22 -18.674 17.579 -6.569 187 H ALA 23 H ALA 23 -22.286 14.438 -7.240 188 HA ALA 23 HA ALA 23 -23.955 16.631 -8.084 189 HB1 ALA 23 1HB ALA 23 -23.790 13.765 -8.592 190 HB2 ALA 23 2HB ALA 23 -25.446 14.360 -8.465 191 HB3 ALA 23 3HB ALA 23 -24.340 15.074 -9.639 192 H ASN 24 H ASN 24 -23.730 14.564 -5.342 193 HA ASN 24 HA ASN 24 -26.468 14.965 -4.500 194 HB2 ASN 24 1HB ASN 24 -24.102 13.483 -3.435 195 HB3 ASN 24 2HB ASN 24 -25.404 13.899 -2.324 196 HD21 ASN 24 2HD2 ASN 24 -24.542 11.286 -3.190 197 HD22 ASN 24 1HD2 ASN 24 -25.906 10.542 -3.947 198 H LYS 25 H LYS 25 -23.375 16.442 -4.016 199 HA LYS 25 HA LYS 25 -24.281 17.969 -1.709 200 HB2 LYS 25 1HB LYS 25 -21.788 17.074 -2.583 201 HB3 LYS 25 2HB LYS 25 -21.746 18.812 -2.851 202 HG2 LYS 25 1HG LYS 25 -20.864 18.308 -0.673 203 HG3 LYS 25 2HG LYS 25 -22.398 19.164 -0.502 204 HD2 LYS 25 1HD LYS 25 -23.432 17.387 0.436 205 HD3 LYS 25 2HD LYS 25 -22.583 16.224 -0.584 206 HE2 LYS 25 1HE LYS 25 -20.537 16.641 0.799 207 HE3 LYS 25 2HE LYS 25 -21.539 17.606 1.883 208 HZ1 LYS 25 3HZ LYS 25 -21.541 15.531 2.865 209 HZ2 LYS 25 1HZ LYS 25 -21.616 14.701 1.392 210 HZ3 LYS 25 2HZ LYS 25 -22.984 15.501 1.982 211 H ILE 26 H ILE 26 -24.106 18.264 -5.116 212 HA ILE 26 HA ILE 26 -24.158 21.165 -5.112 213 HB ILE 26 HB ILE 26 -23.060 19.688 -6.911 214 HG12 ILE 26 1HG1 ILE 26 -23.691 21.325 -8.704 215 HG13 ILE 26 2HG1 ILE 26 -24.933 21.953 -7.625 216 HG21 ILE 26 1HG2 ILE 26 -25.723 19.710 -8.245 217 HG22 ILE 26 2HG2 ILE 26 -24.330 18.668 -8.526 218 HG23 ILE 26 3HG2 ILE 26 -25.347 18.417 -7.107 219 HD11 ILE 26 3HD1 ILE 26 -22.203 22.667 -7.786 220 HD12 ILE 26 1HD1 ILE 26 -23.449 23.306 -6.714 221 HD13 ILE 26 2HD1 ILE 26 -22.479 21.922 -6.211 222 H ILE 27 H ILE 27 -26.387 18.512 -5.243 223 HA ILE 27 HA ILE 27 -28.594 20.054 -6.254 224 HB ILE 27 HB ILE 27 -29.962 18.070 -5.610 225 HG12 ILE 27 1HG1 ILE 27 -27.886 16.180 -5.207 226 HG13 ILE 27 2HG1 ILE 27 -27.621 17.489 -4.061 227 HG21 ILE 27 1HG2 ILE 27 -27.583 17.893 -7.398 228 HG22 ILE 27 2HG2 ILE 27 -28.600 16.471 -7.170 229 HG23 ILE 27 3HG2 ILE 27 -29.297 17.961 -7.807 230 HD11 ILE 27 3HD1 ILE 27 -30.397 16.594 -4.228 231 HD12 ILE 27 1HD1 ILE 27 -29.265 15.365 -3.664 232 HD13 ILE 27 2HD1 ILE 27 -29.382 16.909 -2.820 233 H SER 28 H SER 28 -27.323 19.176 -3.120 234 HA SER 28 HA SER 28 -29.664 20.103 -1.699 235 HB2 SER 28 1HB SER 28 -27.691 18.318 -1.072 236 HB3 SER 28 2HB SER 28 -27.172 19.741 -0.169 237 HG SER 28 HG SER 28 -28.550 18.724 1.175 238 H GLU 29 H GLU 29 -26.257 21.128 -1.925 239 HA GLU 29 HA GLU 29 -26.492 23.475 -0.438 240 HB2 GLU 29 1HB GLU 29 -24.411 22.223 -1.506 241 HB3 GLU 29 2HB GLU 29 -24.643 23.415 -2.778 242 HG2 GLU 29 1HG GLU 29 -24.190 25.202 -1.354 243 HG3 GLU 29 2HG GLU 29 -24.450 24.232 0.095 244 H ALA 30 H ALA 30 -27.538 22.742 -3.637 245 HA ALA 30 HA ALA 30 -27.750 25.501 -4.477 246 HB1 ALA 30 1HB ALA 30 -28.931 24.482 -6.457 247 HB2 ALA 30 2HB ALA 30 -27.267 23.954 -6.203 248 HB3 ALA 30 3HB ALA 30 -28.606 22.906 -5.735 249 H GLU 31 H GLU 31 -30.202 22.915 -4.276 250 HA GLU 31 HA GLU 31 -32.439 24.523 -4.315 251 HB2 GLU 31 1HB GLU 31 -32.149 21.960 -2.740 252 HB3 GLU 31 2HB GLU 31 -33.651 22.667 -3.319 253 HG2 GLU 31 1HG GLU 31 -31.725 22.228 -5.448 254 HG3 GLU 31 2HG GLU 31 -32.156 20.747 -4.595 255 H ALA 32 H ALA 32 -30.267 23.860 -1.675 256 HA ALA 32 HA ALA 32 -31.954 24.786 0.419 257 HB1 ALA 32 1HB ALA 32 -28.982 24.376 0.221 258 HB2 ALA 32 2HB ALA 32 -29.771 24.959 1.688 259 HB3 ALA 32 3HB ALA 32 -30.174 23.368 1.042 260 H GLU 33 H GLU 33 -28.929 26.293 -0.714 261 HA GLU 33 HA GLU 33 -29.387 28.799 0.369 262 HB2 GLU 33 1HB GLU 33 -27.655 29.618 -1.075 263 HB3 GLU 33 2HB GLU 33 -27.228 27.985 -0.585 264 HG2 GLU 33 1HG GLU 33 -28.263 27.227 -2.781 265 HG3 GLU 33 2HG GLU 33 -28.238 28.928 -3.244 266 H LYS 34 H LYS 34 -30.534 27.423 -2.636 267 HA LYS 34 HA LYS 34 -31.391 29.791 -3.889 268 HB2 LYS 34 1HB LYS 34 -31.244 27.817 -5.207 269 HB3 LYS 34 2HB LYS 34 -32.301 26.926 -4.120 270 HG2 LYS 34 1HG LYS 34 -34.167 28.402 -4.783 271 HG3 LYS 34 2HG LYS 34 -33.092 29.190 -5.941 272 HD2 LYS 34 1HD LYS 34 -32.814 26.469 -6.457 273 HD3 LYS 34 2HD LYS 34 -34.541 26.694 -6.165 274 HE2 LYS 34 1HE LYS 34 -34.478 27.164 -8.394 275 HE3 LYS 34 2HE LYS 34 -34.163 28.777 -7.755 276 HZ1 LYS 34 3HZ LYS 34 -31.975 28.690 -8.360 277 HZ2 LYS 34 1HZ LYS 34 -32.653 27.761 -9.601 278 HZ3 LYS 34 2HZ LYS 34 -31.890 27.002 -8.296 279 H ALA 35 H ALA 35 -33.467 27.345 -2.326 280 HA ALA 35 HA ALA 35 -35.749 28.948 -2.183 281 HB1 ALA 35 1HB ALA 35 -34.894 26.577 -0.538 282 HB2 ALA 35 2HB ALA 35 -36.481 27.334 -0.397 283 HB3 ALA 35 3HB ALA 35 -35.986 26.602 -1.923 284 H LYS 36 H LYS 36 -32.874 29.050 -0.344 285 HA LYS 36 HA LYS 36 -34.044 30.283 1.989 286 HB2 LYS 36 1HB LYS 36 -31.926 28.843 1.931 287 HB3 LYS 36 2HB LYS 36 -31.119 30.258 1.268 288 HG2 LYS 36 1HG LYS 36 -31.851 31.528 3.288 289 HG3 LYS 36 2HG LYS 36 -32.441 30.005 3.958 290 HD2 LYS 36 1HD LYS 36 -30.357 29.993 4.869 291 HD3 LYS 36 2HD LYS 36 -29.970 29.235 3.322 292 HE2 LYS 36 1HE LYS 36 -29.101 31.238 2.442 293 HE3 LYS 36 2HE LYS 36 -29.823 32.209 3.724 294 HZ1 LYS 36 3HZ LYS 36 -27.525 30.349 3.944 295 HZ2 LYS 36 1HZ LYS 36 -28.319 30.996 5.291 296 HZ3 LYS 36 2HZ LYS 36 -27.531 32.021 4.200 297 H ILE 37 H ILE 37 -31.938 31.349 -0.676 298 HA ILE 37 HA ILE 37 -32.043 34.099 0.117 299 HB ILE 37 HB ILE 37 -30.797 34.584 -1.866 300 HG12 ILE 37 1HG1 ILE 37 -31.517 31.787 -2.767 301 HG13 ILE 37 2HG1 ILE 37 -32.092 33.292 -3.477 302 HG21 ILE 37 1HG2 ILE 37 -30.012 32.646 0.021 303 HG22 ILE 37 2HG2 ILE 37 -29.393 32.118 -1.543 304 HG23 ILE 37 3HG2 ILE 37 -28.983 33.719 -0.928 305 HD11 ILE 37 3HD1 ILE 37 -29.359 33.546 -3.601 306 HD12 ILE 37 1HD1 ILE 37 -29.627 31.835 -3.933 307 HD13 ILE 37 2HD1 ILE 37 -30.423 33.060 -4.921 308 H LEU 38 H LEU 38 -33.881 32.043 -2.010 309 HA LEU 38 HA LEU 38 -35.115 34.034 -3.576 310 HB2 LEU 38 1HB LEU 38 -35.549 31.186 -2.989 311 HB3 LEU 38 2HB LEU 38 -36.990 32.077 -3.475 312 HG LEU 38 HG LEU 38 -35.990 30.988 -5.389 313 HD11 LEU 38 1HD1 LEU 38 -35.161 33.512 -6.330 314 HD12 LEU 38 2HD1 LEU 38 -36.453 33.795 -5.165 315 HD13 LEU 38 3HD1 LEU 38 -36.727 32.729 -6.543 316 HD21 LEU 38 3HD2 LEU 38 -33.512 32.423 -4.489 317 HD22 LEU 38 1HD2 LEU 38 -33.720 31.885 -6.155 318 HD23 LEU 38 2HD2 LEU 38 -33.733 30.708 -4.841 319 H GLU 39 H GLU 39 -35.958 32.593 -0.467 320 HA GLU 39 HA GLU 39 -38.384 34.187 -0.289 321 HB2 GLU 39 1HB GLU 39 -37.141 32.140 1.547 322 HB3 GLU 39 2HB GLU 39 -38.593 33.042 1.957 323 HG2 GLU 39 1HG GLU 39 -38.261 31.184 -0.387 324 HG3 GLU 39 2HG GLU 39 -39.144 30.843 1.100 325 H LYS 40 H LYS 40 -35.140 34.097 1.013 326 HA LYS 40 HA LYS 40 -35.579 36.011 3.081 327 HB2 LYS 40 1HB LYS 40 -33.720 34.481 3.255 328 HB3 LYS 40 2HB LYS 40 -33.053 35.049 1.730 329 HG2 LYS 40 1HG LYS 40 -32.150 36.904 2.655 330 HG3 LYS 40 2HG LYS 40 -33.445 37.078 3.842 331 HD2 LYS 40 1HD LYS 40 -31.758 34.691 4.173 332 HD3 LYS 40 2HD LYS 40 -30.933 36.232 4.422 333 HE2 LYS 40 1HE LYS 40 -33.433 36.398 5.728 334 HE3 LYS 40 2HE LYS 40 -32.723 34.844 6.163 335 HZ1 LYS 40 3HZ LYS 40 -32.128 36.782 7.625 336 HZ2 LYS 40 1HZ LYS 40 -31.216 37.388 6.335 337 HZ3 LYS 40 2HZ LYS 40 -30.820 35.895 7.024 338 H ALA 41 H ALA 41 -34.210 36.197 -0.191 339 HA ALA 41 HA ALA 41 -33.692 38.992 -0.080 340 HB1 ALA 41 1HB ALA 41 -34.087 37.396 -2.596 341 HB2 ALA 41 2HB ALA 41 -33.091 38.832 -2.352 342 HB3 ALA 41 3HB ALA 41 -32.616 37.295 -1.629 343 H LYS 42 H LYS 42 -36.341 37.040 -1.393 344 HA LYS 42 HA LYS 42 -37.772 39.202 -2.532 345 HB2 LYS 42 1HB LYS 42 -38.181 36.912 -3.237 346 HB3 LYS 42 2HB LYS 42 -38.714 36.478 -1.619 347 HG2 LYS 42 1HG LYS 42 -40.776 37.261 -1.962 348 HG3 LYS 42 2HG LYS 42 -40.192 38.713 -2.779 349 HD2 LYS 42 1HD LYS 42 -41.367 37.569 -4.441 350 HD3 LYS 42 2HD LYS 42 -39.681 37.149 -4.753 351 HE2 LYS 42 1HE LYS 42 -40.172 35.108 -3.233 352 HE3 LYS 42 2HE LYS 42 -41.863 35.477 -3.566 353 HZ1 LYS 42 3HZ LYS 42 -39.761 34.846 -5.565 354 HZ2 LYS 42 1HZ LYS 42 -41.333 35.336 -5.955 355 HZ3 LYS 42 2HZ LYS 42 -41.079 33.875 -5.142 356 H GLU 43 H GLU 43 -37.492 37.986 0.689 357 HA GLU 43 HA GLU 43 -39.885 39.346 1.617 358 HB2 GLU 43 1HB GLU 43 -39.361 37.209 2.625 359 HB3 GLU 43 2HB GLU 43 -37.761 37.776 3.083 360 HG2 GLU 43 1HG GLU 43 -38.540 39.006 4.835 361 HG3 GLU 43 2HG GLU 43 -40.115 39.274 4.092 362 H GLU 44 H GLU 44 -36.370 39.638 1.932 363 HA GLU 44 HA GLU 44 -36.485 41.930 3.633 364 HB2 GLU 44 1HB GLU 44 -34.126 41.991 3.469 365 HB3 GLU 44 2HB GLU 44 -34.559 40.288 3.442 366 HG2 GLU 44 1HG GLU 44 -34.478 40.537 0.879 367 HG3 GLU 44 2HG GLU 44 -33.579 42.017 1.210 368 H ALA 45 H ALA 45 -36.252 41.403 0.173 369 HA ALA 45 HA ALA 45 -35.680 44.135 -0.471 370 HB1 ALA 45 1HB ALA 45 -36.770 41.994 -2.291 371 HB2 ALA 45 2HB ALA 45 -35.941 43.478 -2.762 372 HB3 ALA 45 3HB ALA 45 -35.060 42.206 -1.916 373 H GLU 46 H GLU 46 -38.560 42.230 -0.002 374 HA GLU 46 HA GLU 46 -40.330 44.122 -1.246 375 HB2 GLU 46 1HB GLU 46 -40.640 41.578 0.275 376 HB3 GLU 46 2HB GLU 46 -42.025 42.657 0.185 377 HG2 GLU 46 1HG GLU 46 -40.628 42.045 -2.348 378 HG3 GLU 46 2HG GLU 46 -41.563 40.749 -1.605 379 H LYS 47 H LYS 47 -39.455 43.265 2.079 380 HA LYS 47 HA LYS 47 -41.175 45.277 3.215 381 HB2 LYS 47 1HB LYS 47 -40.290 44.572 5.350 382 HB3 LYS 47 2HB LYS 47 -40.664 43.150 4.384 383 HG2 LYS 47 1HG LYS 47 -38.141 43.311 3.714 384 HG3 LYS 47 2HG LYS 47 -38.019 44.243 5.208 385 HD2 LYS 47 1HD LYS 47 -39.543 41.736 5.419 386 HD3 LYS 47 2HD LYS 47 -37.825 41.541 5.064 387 HE2 LYS 47 1HE LYS 47 -38.281 43.522 7.126 388 HE3 LYS 47 2HE LYS 47 -38.978 41.961 7.557 389 HZ1 LYS 47 3HZ LYS 47 -36.817 41.825 8.334 390 HZ2 LYS 47 1HZ LYS 47 -36.161 42.634 7.000 391 HZ3 LYS 47 2HZ LYS 47 -36.710 41.043 6.838 392 H ARG 48 H ARG 48 -37.742 44.921 2.512 393 HA ARG 48 HA ARG 48 -37.304 47.684 3.427 394 HB2 ARG 48 1HB ARG 48 -35.880 45.383 4.013 395 HB3 ARG 48 2HB ARG 48 -34.910 46.153 2.764 396 HG2 ARG 48 1HG ARG 48 -34.646 48.121 4.055 397 HG3 ARG 48 2HG ARG 48 -35.869 47.600 5.216 398 HD2 ARG 48 1HD ARG 48 -34.111 45.523 5.304 399 HD3 ARG 48 2HD ARG 48 -33.031 46.886 5.009 400 HE ARG 48 HE ARG 48 -34.646 47.727 7.039 401 HH11 ARG 48 1HH1 ARG 48 -32.561 44.986 6.532 402 HH12 ARG 48 2HH1 ARG 48 -32.172 44.807 8.210 403 HH21 ARG 48 1HH2 ARG 48 -34.141 47.502 9.252 404 HH22 ARG 48 2HH2 ARG 48 -33.071 46.238 9.757 405 H LYS 49 H LYS 49 -35.029 48.331 2.092 406 HA LYS 49 HA LYS 49 -35.547 47.946 -0.759 407 HB2 LYS 49 1HB LYS 49 -35.641 50.564 0.704 408 HB3 LYS 49 2HB LYS 49 -35.129 50.511 -0.978 409 HG2 LYS 49 1HG LYS 49 -37.373 49.113 -1.216 410 HG3 LYS 49 2HG LYS 49 -37.803 50.059 0.211 411 HD2 LYS 49 1HD LYS 49 -38.132 51.887 -1.020 412 HD3 LYS 49 2HD LYS 49 -36.552 51.720 -1.789 413 HE2 LYS 49 1HE LYS 49 -37.399 50.447 -3.536 414 HE3 LYS 49 2HE LYS 49 -38.835 49.978 -2.629 415 HZ1 LYS 49 3HZ LYS 49 -39.933 51.705 -3.443 416 HZ2 LYS 49 1HZ LYS 49 -38.619 52.030 -4.458 417 HZ3 LYS 49 2HZ LYS 49 -38.732 52.791 -2.952 418 H ALA 50 H ALA 50 -33.760 48.630 -2.122 419 HA ALA 50 HA ALA 50 -31.556 48.731 -2.686 420 HB1 ALA 50 1HB ALA 50 -30.557 50.475 -1.745 421 HB2 ALA 50 2HB ALA 50 -31.863 50.529 -0.561 422 HB3 ALA 50 3HB ALA 50 -30.395 49.617 -0.213 423 H GLU 51 H GLU 51 -29.278 47.993 -1.868 424 HA GLU 51 HA GLU 51 -29.447 45.740 -0.025 425 HB2 GLU 51 1HB GLU 51 -28.484 44.164 -1.595 426 HB3 GLU 51 2HB GLU 51 -29.982 44.811 -2.251 427 HG2 GLU 51 1HG GLU 51 -28.831 45.182 -4.111 428 HG3 GLU 51 2HG GLU 51 -28.093 46.530 -3.249 429 H ILE 52 H ILE 52 -28.139 48.352 -0.017 430 HA ILE 52 HA ILE 52 -26.144 49.306 0.522 431 HB ILE 52 HB ILE 52 -25.247 46.502 1.184 432 HG12 ILE 52 1HG1 ILE 52 -26.044 47.752 3.538 433 HG13 ILE 52 2HG1 ILE 52 -27.307 48.175 2.386 434 HG21 ILE 52 1HG2 ILE 52 -24.277 49.243 1.851 435 HG22 ILE 52 2HG2 ILE 52 -24.037 47.933 3.006 436 HG23 ILE 52 3HG2 ILE 52 -23.364 47.809 1.381 437 HD11 ILE 52 3HD1 ILE 52 -27.730 46.109 3.712 438 HD12 ILE 52 1HD1 ILE 52 -27.791 45.889 1.964 439 HD13 ILE 52 2HD1 ILE 52 -26.373 45.361 2.870 Start of MODEL 9 1 H1 MET 1 H MET 1 -6.723 0.759 7.461 2 HA MET 1 HA MET 1 -8.124 -0.989 7.069 3 HB2 MET 1 1HB MET 1 -10.007 0.736 8.682 4 HB3 MET 1 2HB MET 1 -10.393 -0.899 8.161 5 HG2 MET 1 1HG MET 1 -8.321 -1.652 9.376 6 HG3 MET 1 2HG MET 1 -8.235 -0.030 10.059 7 HE1 MET 1 3HE MET 1 -8.874 -2.987 12.096 8 HE2 MET 1 1HE MET 1 -10.417 -3.566 11.468 9 HE3 MET 1 2HE MET 1 -9.048 -3.345 10.378 10 H ALA 2 H ALA 2 -7.899 -0.143 4.812 11 HA ALA 2 HA ALA 2 -10.419 -0.173 3.522 12 HB1 ALA 2 1HB ALA 2 -10.898 2.013 3.777 13 HB2 ALA 2 2HB ALA 2 -9.219 2.457 4.083 14 HB3 ALA 2 3HB ALA 2 -9.778 2.207 2.429 15 H VAL 3 H VAL 3 -6.992 0.620 3.333 16 HA VAL 3 HA VAL 3 -6.843 0.103 0.499 17 HB VAL 3 HB VAL 3 -4.578 0.413 2.474 18 HG11 VAL 3 1HG1 VAL 3 -3.440 1.213 0.297 19 HG12 VAL 3 2HG1 VAL 3 -3.644 -0.520 0.561 20 HG13 VAL 3 3HG1 VAL 3 -4.741 0.345 -0.516 21 HG21 VAL 3 3HG2 VAL 3 -5.950 2.387 2.559 22 HG22 VAL 3 1HG2 VAL 3 -4.488 2.754 1.644 23 HG23 VAL 3 2HG2 VAL 3 -6.010 2.473 0.799 24 H LYS 4 H LYS 4 -6.349 -1.662 3.458 25 HA LYS 4 HA LYS 4 -4.728 -3.745 2.644 26 HB2 LYS 4 1HB LYS 4 -6.332 -3.170 4.869 27 HB3 LYS 4 2HB LYS 4 -6.899 -4.729 4.286 28 HG2 LYS 4 1HG LYS 4 -5.244 -5.590 5.500 29 HG3 LYS 4 2HG LYS 4 -4.179 -5.028 4.210 30 HD2 LYS 4 1HD LYS 4 -4.937 -3.183 6.439 31 HD3 LYS 4 2HD LYS 4 -3.668 -4.385 6.681 32 HE2 LYS 4 1HE LYS 4 -3.456 -2.832 4.195 33 HE3 LYS 4 2HE LYS 4 -3.269 -1.893 5.675 34 HZ1 LYS 4 3HZ LYS 4 -1.388 -3.034 6.270 35 HZ2 LYS 4 1HZ LYS 4 -1.223 -3.030 4.586 36 HZ3 LYS 4 2HZ LYS 4 -1.789 -4.414 5.377 37 H LEU 5 H LEU 5 -8.074 -3.129 1.888 38 HA LEU 5 HA LEU 5 -8.897 -5.654 1.055 39 HB2 LEU 5 1HB LEU 5 -9.663 -3.030 -0.210 40 HB3 LEU 5 2HB LEU 5 -10.586 -4.532 -0.243 41 HG LEU 5 HG LEU 5 -10.084 -2.773 2.156 42 HD11 LEU 5 1HD1 LEU 5 -12.033 -2.677 0.130 43 HD12 LEU 5 2HD1 LEU 5 -11.990 -1.769 1.640 44 HD13 LEU 5 3HD1 LEU 5 -12.826 -3.320 1.568 45 HD21 LEU 5 3HD2 LEU 5 -10.155 -4.836 3.151 46 HD22 LEU 5 1HD2 LEU 5 -11.160 -5.537 1.882 47 HD23 LEU 5 2HD2 LEU 5 -11.877 -4.457 3.079 48 H MET 6 H MET 6 -9.533 -5.945 -1.425 49 HA MET 6 HA MET 6 -7.194 -6.601 -2.784 50 HB2 MET 6 1HB MET 6 -9.961 -6.113 -3.899 51 HB3 MET 6 2HB MET 6 -8.653 -6.902 -4.770 52 HG2 MET 6 1HG MET 6 -8.605 -8.587 -2.877 53 HG3 MET 6 2HG MET 6 -10.132 -7.882 -2.352 54 HE1 MET 6 3HE MET 6 -8.915 -10.942 -4.011 55 HE2 MET 6 1HE MET 6 -9.406 -10.829 -5.701 56 HE3 MET 6 2HE MET 6 -8.183 -9.731 -5.063 57 H GLY 7 H GLY 7 -8.968 -3.617 -2.666 58 HA2 GLY 7 1HA GLY 7 -7.816 -1.565 -3.200 59 HA3 GLY 7 2HA GLY 7 -6.963 -2.429 -4.470 60 H VAL 8 H VAL 8 -8.984 -3.689 -5.804 61 HA VAL 8 HA VAL 8 -9.933 -1.747 -7.537 62 HB VAL 8 HB VAL 8 -9.825 -4.147 -8.095 63 HG11 VAL 8 1HG1 VAL 8 -12.376 -4.466 -6.531 64 HG12 VAL 8 2HG1 VAL 8 -11.413 -5.722 -7.312 65 HG13 VAL 8 3HG1 VAL 8 -10.791 -4.890 -5.886 66 HG21 VAL 8 3HG2 VAL 8 -12.593 -3.879 -8.724 67 HG22 VAL 8 1HG2 VAL 8 -11.829 -2.292 -8.822 68 HG23 VAL 8 2HG2 VAL 8 -11.193 -3.637 -9.769 69 H ASP 9 H ASP 9 -11.361 -3.018 -4.604 70 HA ASP 9 HA ASP 9 -13.964 -1.960 -4.989 71 HB2 ASP 9 1HB ASP 9 -12.432 -3.061 -2.675 72 HB3 ASP 9 2HB ASP 9 -13.899 -2.143 -2.344 73 H LYS 10 H LYS 10 -10.975 -0.627 -3.815 74 HA LYS 10 HA LYS 10 -12.157 1.675 -2.576 75 HB2 LYS 10 1HB LYS 10 -9.795 0.528 -2.222 76 HB3 LYS 10 2HB LYS 10 -9.313 1.658 -3.480 77 HG2 LYS 10 1HG LYS 10 -10.713 2.493 -0.954 78 HG3 LYS 10 2HG LYS 10 -8.958 2.447 -1.132 79 HD2 LYS 10 1HD LYS 10 -9.390 3.913 -3.232 80 HD3 LYS 10 2HD LYS 10 -10.953 4.230 -2.476 81 HE2 LYS 10 1HE LYS 10 -9.546 4.787 -0.375 82 HE3 LYS 10 2HE LYS 10 -8.205 4.928 -1.510 83 HZ1 LYS 10 3HZ LYS 10 -9.319 7.056 -1.073 84 HZ2 LYS 10 1HZ LYS 10 -10.755 6.435 -1.715 85 HZ3 LYS 10 2HZ LYS 10 -9.397 6.619 -2.705 86 H ILE 11 H ILE 11 -10.315 1.139 -5.576 87 HA ILE 11 HA ILE 11 -10.586 3.786 -6.531 88 HB ILE 11 HB ILE 11 -9.946 2.846 -8.738 89 HG12 ILE 11 1HG1 ILE 11 -9.166 0.312 -8.412 90 HG13 ILE 11 2HG1 ILE 11 -10.520 0.310 -7.287 91 HG21 ILE 11 1HG2 ILE 11 -7.776 1.695 -7.744 92 HG22 ILE 11 2HG2 ILE 11 -8.058 3.430 -7.606 93 HG23 ILE 11 3HG2 ILE 11 -8.412 2.368 -6.243 94 HD11 ILE 11 3HD1 ILE 11 -11.312 1.543 -9.741 95 HD12 ILE 11 1HD1 ILE 11 -10.586 -0.031 -10.064 96 HD13 ILE 11 2HD1 ILE 11 -11.951 0.100 -8.956 97 H LYS 12 H LYS 12 -12.513 0.868 -6.960 98 HA LYS 12 HA LYS 12 -14.239 1.957 -8.948 99 HB2 LYS 12 1HB LYS 12 -14.042 -0.424 -8.800 100 HB3 LYS 12 2HB LYS 12 -14.497 -0.416 -7.101 101 HG2 LYS 12 1HG LYS 12 -16.453 0.702 -9.017 102 HG3 LYS 12 2HG LYS 12 -16.194 -1.044 -9.051 103 HD2 LYS 12 1HD LYS 12 -16.515 0.150 -6.374 104 HD3 LYS 12 2HD LYS 12 -17.946 0.193 -7.407 105 HE2 LYS 12 1HE LYS 12 -16.328 -2.265 -6.738 106 HE3 LYS 12 2HE LYS 12 -17.876 -1.826 -6.015 107 HZ1 LYS 12 3HZ LYS 12 -17.301 -2.820 -8.714 108 HZ2 LYS 12 1HZ LYS 12 -18.623 -1.786 -8.501 109 HZ3 LYS 12 2HZ LYS 12 -18.547 -3.246 -7.652 110 H SER 13 H SER 13 -14.150 2.051 -5.481 111 HA SER 13 HA SER 13 -16.884 3.037 -5.289 112 HB2 SER 13 1HB SER 13 -16.140 1.489 -3.563 113 HB3 SER 13 2HB SER 13 -14.784 2.543 -3.163 114 HG SER 13 HG SER 13 -17.342 2.653 -2.308 115 H LYS 14 H LYS 14 -13.644 4.222 -5.402 116 HA LYS 14 HA LYS 14 -13.978 6.706 -4.131 117 HB2 LYS 14 1HB LYS 14 -11.844 5.449 -5.082 118 HB3 LYS 14 2HB LYS 14 -12.156 6.467 -6.481 119 HG2 LYS 14 1HG LYS 14 -11.606 7.368 -3.663 120 HG3 LYS 14 2HG LYS 14 -10.563 7.559 -5.074 121 HD2 LYS 14 1HD LYS 14 -13.285 8.814 -4.721 122 HD3 LYS 14 2HD LYS 14 -11.740 9.641 -4.511 123 HE2 LYS 14 1HE LYS 14 -11.796 8.313 -7.051 124 HE3 LYS 14 2HE LYS 14 -13.230 9.324 -6.878 125 HZ1 LYS 14 3HZ LYS 14 -11.519 11.074 -6.077 126 HZ2 LYS 14 1HZ LYS 14 -11.705 10.789 -7.734 127 HZ3 LYS 14 2HZ LYS 14 -10.398 10.113 -6.901 128 H ILE 15 H ILE 15 -13.693 6.195 -7.649 129 HA ILE 15 HA ILE 15 -14.705 8.686 -8.386 130 HB ILE 15 HB ILE 15 -14.981 6.169 -10.023 131 HG12 ILE 15 1HG1 ILE 15 -12.678 7.645 -10.772 132 HG13 ILE 15 2HG1 ILE 15 -12.605 7.426 -9.027 133 HG21 ILE 15 1HG2 ILE 15 -14.357 8.154 -11.746 134 HG22 ILE 15 2HG2 ILE 15 -16.005 7.670 -11.351 135 HG23 ILE 15 3HG2 ILE 15 -15.273 9.050 -10.534 136 HD11 ILE 15 3HD1 ILE 15 -11.653 5.475 -9.529 137 HD12 ILE 15 1HD1 ILE 15 -13.298 4.934 -9.863 138 HD13 ILE 15 2HD1 ILE 15 -12.266 5.488 -11.182 139 H LEU 16 H LEU 16 -16.358 5.611 -7.853 140 HA LEU 16 HA LEU 16 -18.891 6.371 -8.798 141 HB2 LEU 16 1HB LEU 16 -18.040 4.047 -8.206 142 HB3 LEU 16 2HB LEU 16 -18.411 4.456 -6.532 143 HG LEU 16 HG LEU 16 -20.142 3.077 -7.691 144 HD11 LEU 16 1HD1 LEU 16 -21.584 5.555 -7.091 145 HD12 LEU 16 2HD1 LEU 16 -20.428 5.061 -5.855 146 HD13 LEU 16 3HD1 LEU 16 -21.709 3.958 -6.354 147 HD21 LEU 16 3HD2 LEU 16 -21.328 5.351 -9.061 148 HD22 LEU 16 1HD2 LEU 16 -21.095 3.692 -9.611 149 HD23 LEU 16 2HD2 LEU 16 -19.783 4.862 -9.759 150 H ASP 17 H ASP 17 -17.769 6.149 -5.417 151 HA ASP 17 HA ASP 17 -20.012 7.418 -4.300 152 HB2 ASP 17 1HB ASP 17 -18.436 6.051 -2.989 153 HB3 ASP 17 2HB ASP 17 -17.192 7.279 -3.213 154 H ASP 18 H ASP 18 -16.971 8.681 -5.533 155 HA ASP 18 HA ASP 18 -17.263 11.320 -4.564 156 HB2 ASP 18 1HB ASP 18 -15.122 10.353 -5.385 157 HB3 ASP 18 2HB ASP 18 -15.765 10.397 -7.025 158 H ALA 19 H ALA 19 -17.958 9.902 -7.756 159 HA ALA 19 HA ALA 19 -18.934 12.180 -9.007 160 HB1 ALA 19 1HB ALA 19 -18.561 10.364 -10.407 161 HB2 ALA 19 2HB ALA 19 -19.487 9.261 -9.387 162 HB3 ALA 19 3HB ALA 19 -20.321 10.477 -10.356 163 H LYS 20 H LYS 20 -20.915 9.592 -7.546 164 HA LYS 20 HA LYS 20 -23.367 10.869 -7.713 165 HB2 LYS 20 1HB LYS 20 -24.076 9.378 -5.859 166 HB3 LYS 20 2HB LYS 20 -23.212 8.529 -7.134 167 HG2 LYS 20 1HG LYS 20 -22.168 7.616 -5.349 168 HG3 LYS 20 2HG LYS 20 -21.148 9.045 -5.541 169 HD2 LYS 20 1HD LYS 20 -21.761 9.839 -3.550 170 HD3 LYS 20 2HD LYS 20 -23.473 9.624 -3.923 171 HE2 LYS 20 1HE LYS 20 -21.925 7.178 -3.314 172 HE3 LYS 20 2HE LYS 20 -22.210 8.285 -1.973 173 HZ1 LYS 20 3HZ LYS 20 -24.408 7.375 -3.729 174 HZ2 LYS 20 1HZ LYS 20 -24.509 8.057 -2.183 175 HZ3 LYS 20 2HZ LYS 20 -23.926 6.482 -2.376 176 H ALA 21 H ALA 21 -20.837 11.185 -5.294 177 HA ALA 21 HA ALA 21 -22.325 12.651 -3.392 178 HB1 ALA 21 1HB ALA 21 -19.405 12.284 -3.924 179 HB2 ALA 21 2HB ALA 21 -19.952 13.457 -2.726 180 HB3 ALA 21 3HB ALA 21 -20.368 11.752 -2.545 181 H GLU 22 H GLU 22 -20.298 13.646 -6.121 182 HA GLU 22 HA GLU 22 -20.341 16.405 -5.653 183 HB2 GLU 22 1HB GLU 22 -19.259 14.729 -7.571 184 HB3 GLU 22 2HB GLU 22 -20.411 15.693 -8.483 185 HG2 GLU 22 1HG GLU 22 -19.246 17.616 -8.199 186 HG3 GLU 22 2HG GLU 22 -18.614 17.134 -6.626 187 H ALA 23 H ALA 23 -22.570 14.326 -7.447 188 HA ALA 23 HA ALA 23 -24.246 16.526 -8.250 189 HB1 ALA 23 1HB ALA 23 -25.450 15.001 -9.481 190 HB2 ALA 23 2HB ALA 23 -23.869 14.221 -9.418 191 HB3 ALA 23 3HB ALA 23 -25.159 13.687 -8.341 192 H ASN 24 H ASN 24 -23.977 14.484 -5.507 193 HA ASN 24 HA ASN 24 -26.717 14.832 -4.648 194 HB2 ASN 24 1HB ASN 24 -24.322 13.383 -3.633 195 HB3 ASN 24 2HB ASN 24 -25.554 13.837 -2.460 196 HD21 ASN 24 2HD2 ASN 24 -24.651 11.223 -3.613 197 HD22 ASN 24 1HD2 ASN 24 -26.105 10.464 -4.157 198 H LYS 25 H LYS 25 -23.637 16.357 -4.166 199 HA LYS 25 HA LYS 25 -24.587 17.911 -1.895 200 HB2 LYS 25 1HB LYS 25 -22.068 17.036 -2.749 201 HB3 LYS 25 2HB LYS 25 -22.050 18.778 -2.989 202 HG2 LYS 25 1HG LYS 25 -21.188 18.196 -0.800 203 HG3 LYS 25 2HG LYS 25 -22.692 19.110 -0.656 204 HD2 LYS 25 1HD LYS 25 -23.882 17.292 0.094 205 HD3 LYS 25 2HD LYS 25 -22.817 16.131 -0.704 206 HE2 LYS 25 1HE LYS 25 -21.265 16.189 0.991 207 HE3 LYS 25 2HE LYS 25 -21.724 17.813 1.501 208 HZ1 LYS 25 3HZ LYS 25 -22.676 16.642 3.165 209 HZ2 LYS 25 1HZ LYS 25 -22.875 15.239 2.240 210 HZ3 LYS 25 2HZ LYS 25 -23.955 16.529 2.063 211 H ILE 26 H ILE 26 -24.365 18.156 -5.303 212 HA ILE 26 HA ILE 26 -24.423 21.053 -5.355 213 HB ILE 26 HB ILE 26 -23.330 19.543 -7.125 214 HG12 ILE 26 1HG1 ILE 26 -23.970 21.137 -8.953 215 HG13 ILE 26 2HG1 ILE 26 -25.213 21.784 -7.888 216 HG21 ILE 26 1HG2 ILE 26 -25.995 19.526 -8.454 217 HG22 ILE 26 2HG2 ILE 26 -24.599 18.482 -8.713 218 HG23 ILE 26 3HG2 ILE 26 -25.612 18.260 -7.287 219 HD11 ILE 26 3HD1 ILE 26 -22.758 21.795 -6.475 220 HD12 ILE 26 1HD1 ILE 26 -22.485 22.504 -8.066 221 HD13 ILE 26 2HD1 ILE 26 -23.733 23.164 -7.009 222 H ILE 27 H ILE 27 -26.662 18.402 -5.448 223 HA ILE 27 HA ILE 27 -28.864 19.947 -6.472 224 HB ILE 27 HB ILE 27 -30.239 17.971 -5.826 225 HG12 ILE 27 1HG1 ILE 27 -28.202 16.059 -5.400 226 HG13 ILE 27 2HG1 ILE 27 -27.885 17.381 -4.282 227 HG21 ILE 27 1HG2 ILE 27 -29.513 17.909 -8.028 228 HG22 ILE 27 2HG2 ILE 27 -27.823 17.705 -7.570 229 HG23 ILE 27 3HG2 ILE 27 -28.953 16.363 -7.390 230 HD11 ILE 27 3HD1 ILE 27 -30.466 17.128 -3.810 231 HD12 ILE 27 1HD1 ILE 27 -30.165 15.492 -4.396 232 HD13 ILE 27 2HD1 ILE 27 -29.269 16.111 -3.008 233 H SER 28 H SER 28 -27.611 19.052 -3.330 234 HA SER 28 HA SER 28 -29.946 20.028 -1.925 235 HB2 SER 28 1HB SER 28 -29.074 18.370 -0.623 236 HB3 SER 28 2HB SER 28 -27.428 18.642 -1.196 237 HG SER 28 HG SER 28 -27.510 19.302 0.919 238 H GLU 29 H GLU 29 -26.516 20.966 -2.158 239 HA GLU 29 HA GLU 29 -26.682 23.302 -0.640 240 HB2 GLU 29 1HB GLU 29 -24.843 22.542 -2.909 241 HB3 GLU 29 2HB GLU 29 -24.644 24.012 -1.966 242 HG2 GLU 29 1HG GLU 29 -24.904 21.632 -0.316 243 HG3 GLU 29 2HG GLU 29 -23.526 21.570 -1.413 244 H ALA 30 H ALA 30 -27.777 22.626 -3.832 245 HA ALA 30 HA ALA 30 -27.920 25.401 -4.641 246 HB1 ALA 30 1HB ALA 30 -27.454 23.739 -6.331 247 HB2 ALA 30 2HB ALA 30 -28.958 22.896 -5.958 248 HB3 ALA 30 3HB ALA 30 -29.005 24.509 -6.668 249 H GLU 31 H GLU 31 -30.420 22.860 -4.460 250 HA GLU 31 HA GLU 31 -32.628 24.508 -4.485 251 HB2 GLU 31 1HB GLU 31 -32.380 21.930 -2.925 252 HB3 GLU 31 2HB GLU 31 -33.871 22.668 -3.495 253 HG2 GLU 31 1HG GLU 31 -31.957 22.205 -5.632 254 HG3 GLU 31 2HG GLU 31 -32.420 20.728 -4.788 255 H ALA 32 H ALA 32 -30.467 23.784 -1.849 256 HA ALA 32 HA ALA 32 -32.134 24.734 0.251 257 HB1 ALA 32 1HB ALA 32 -30.363 23.257 0.822 258 HB2 ALA 32 2HB ALA 32 -29.160 24.306 0.071 259 HB3 ALA 32 3HB ALA 32 -29.983 24.822 1.543 260 H GLU 33 H GLU 33 -29.075 26.181 -0.868 261 HA GLU 33 HA GLU 33 -29.475 28.689 0.230 262 HB2 GLU 33 1HB GLU 33 -27.710 29.468 -1.166 263 HB3 GLU 33 2HB GLU 33 -27.346 27.794 -0.773 264 HG2 GLU 33 1HG GLU 33 -28.300 27.134 -2.971 265 HG3 GLU 33 2HG GLU 33 -28.468 28.846 -3.357 266 H LYS 34 H LYS 34 -30.658 27.362 -2.785 267 HA LYS 34 HA LYS 34 -31.470 29.760 -4.013 268 HB2 LYS 34 1HB LYS 34 -31.362 27.797 -5.352 269 HB3 LYS 34 2HB LYS 34 -32.434 26.915 -4.273 270 HG2 LYS 34 1HG LYS 34 -34.273 28.432 -4.919 271 HG3 LYS 34 2HG LYS 34 -33.184 29.213 -6.068 272 HD2 LYS 34 1HD LYS 34 -32.874 26.620 -6.771 273 HD3 LYS 34 2HD LYS 34 -34.550 26.606 -6.216 274 HE2 LYS 34 1HE LYS 34 -35.165 27.471 -8.166 275 HE3 LYS 34 2HE LYS 34 -34.239 28.922 -7.787 276 HZ1 LYS 34 3HZ LYS 34 -32.262 27.563 -8.668 277 HZ2 LYS 34 1HZ LYS 34 -33.345 28.229 -9.784 278 HZ3 LYS 34 2HZ LYS 34 -33.436 26.586 -9.394 279 H ALA 35 H ALA 35 -33.596 27.336 -2.482 280 HA ALA 35 HA ALA 35 -35.844 28.981 -2.316 281 HB1 ALA 35 1HB ALA 35 -36.729 27.358 -0.739 282 HB2 ALA 35 2HB ALA 35 -35.920 26.542 -2.077 283 HB3 ALA 35 3HB ALA 35 -35.119 26.676 -0.512 284 H LYS 36 H LYS 36 -32.967 29.006 -0.477 285 HA LYS 36 HA LYS 36 -34.111 30.234 1.871 286 HB2 LYS 36 1HB LYS 36 -32.102 28.787 1.990 287 HB3 LYS 36 2HB LYS 36 -31.213 29.975 1.046 288 HG2 LYS 36 1HG LYS 36 -32.483 31.145 3.378 289 HG3 LYS 36 2HG LYS 36 -31.363 29.846 3.793 290 HD2 LYS 36 1HD LYS 36 -30.575 31.993 1.856 291 HD3 LYS 36 2HD LYS 36 -30.459 32.260 3.597 292 HE2 LYS 36 1HE LYS 36 -29.268 29.810 2.361 293 HE3 LYS 36 2HE LYS 36 -28.404 31.345 2.294 294 HZ1 LYS 36 3HZ LYS 36 -29.175 29.779 4.679 295 HZ2 LYS 36 1HZ LYS 36 -28.773 31.418 4.791 296 HZ3 LYS 36 2HZ LYS 36 -27.635 30.307 4.218 297 H ILE 37 H ILE 37 -31.965 31.298 -0.765 298 HA ILE 37 HA ILE 37 -32.029 34.038 0.053 299 HB ILE 37 HB ILE 37 -30.777 34.525 -1.925 300 HG12 ILE 37 1HG1 ILE 37 -31.555 31.755 -2.862 301 HG13 ILE 37 2HG1 ILE 37 -32.098 33.281 -3.551 302 HG21 ILE 37 1HG2 ILE 37 -29.423 32.025 -1.636 303 HG22 ILE 37 2HG2 ILE 37 -28.976 33.610 -1.008 304 HG23 ILE 37 3HG2 ILE 37 -30.024 32.551 -0.064 305 HD11 ILE 37 3HD1 ILE 37 -29.603 33.725 -3.978 306 HD12 ILE 37 1HD1 ILE 37 -29.408 31.992 -3.716 307 HD13 ILE 37 2HD1 ILE 37 -30.451 32.576 -5.013 308 H LEU 38 H LEU 38 -33.900 32.045 -2.109 309 HA LEU 38 HA LEU 38 -35.101 34.077 -3.644 310 HB2 LEU 38 1HB LEU 38 -35.592 31.232 -3.087 311 HB3 LEU 38 2HB LEU 38 -37.014 32.157 -3.564 312 HG LEU 38 HG LEU 38 -36.036 31.068 -5.489 313 HD11 LEU 38 1HD1 LEU 38 -36.736 32.835 -6.626 314 HD12 LEU 38 2HD1 LEU 38 -35.156 33.586 -6.401 315 HD13 LEU 38 3HD1 LEU 38 -36.445 33.880 -5.235 316 HD21 LEU 38 3HD2 LEU 38 -33.786 30.737 -4.951 317 HD22 LEU 38 1HD2 LEU 38 -33.531 32.439 -4.569 318 HD23 LEU 38 2HD2 LEU 38 -33.747 31.935 -6.245 319 H GLU 39 H GLU 39 -35.971 32.614 -0.552 320 HA GLU 39 HA GLU 39 -38.369 34.246 -0.352 321 HB2 GLU 39 1HB GLU 39 -37.195 31.986 1.196 322 HB3 GLU 39 2HB GLU 39 -38.284 33.081 2.038 323 HG2 GLU 39 1HG GLU 39 -40.052 32.607 0.488 324 HG3 GLU 39 2HG GLU 39 -38.969 31.640 -0.513 325 H LYS 40 H LYS 40 -35.127 34.088 0.964 326 HA LYS 40 HA LYS 40 -35.528 35.998 3.036 327 HB2 LYS 40 1HB LYS 40 -33.110 34.819 1.702 328 HB3 LYS 40 2HB LYS 40 -32.941 36.151 2.838 329 HG2 LYS 40 1HG LYS 40 -34.584 33.902 3.776 330 HG3 LYS 40 2HG LYS 40 -32.873 33.547 3.528 331 HD2 LYS 40 1HD LYS 40 -32.278 35.444 4.962 332 HD3 LYS 40 2HD LYS 40 -33.991 35.788 5.213 333 HE2 LYS 40 1HE LYS 40 -33.413 33.027 5.789 334 HE3 LYS 40 2HE LYS 40 -32.353 34.088 6.717 335 HZ1 LYS 40 3HZ LYS 40 -35.316 34.054 6.699 336 HZ2 LYS 40 1HZ LYS 40 -34.418 35.320 7.373 337 HZ3 LYS 40 2HZ LYS 40 -34.282 33.757 8.005 338 H ALA 41 H ALA 41 -34.162 36.199 -0.237 339 HA ALA 41 HA ALA 41 -33.574 38.966 -0.128 340 HB1 ALA 41 1HB ALA 41 -33.215 38.823 -2.498 341 HB2 ALA 41 2HB ALA 41 -32.566 37.369 -1.739 342 HB3 ALA 41 3HB ALA 41 -34.111 37.307 -2.586 343 H LYS 42 H LYS 42 -36.256 37.200 -1.678 344 HA LYS 42 HA LYS 42 -37.670 39.414 -2.602 345 HB2 LYS 42 1HB LYS 42 -39.488 37.963 -2.949 346 HB3 LYS 42 2HB LYS 42 -38.067 36.937 -3.096 347 HG2 LYS 42 1HG LYS 42 -39.286 35.600 -1.750 348 HG3 LYS 42 2HG LYS 42 -38.553 36.601 -0.494 349 HD2 LYS 42 1HD LYS 42 -40.519 37.518 0.072 350 HD3 LYS 42 2HD LYS 42 -40.999 37.741 -1.612 351 HE2 LYS 42 1HE LYS 42 -40.971 34.955 -0.662 352 HE3 LYS 42 2HE LYS 42 -42.173 35.998 0.097 353 HZ1 LYS 42 3HZ LYS 42 -43.265 35.161 -1.745 354 HZ2 LYS 42 1HZ LYS 42 -41.904 35.257 -2.745 355 HZ3 LYS 42 2HZ LYS 42 -42.728 36.665 -2.301 356 H GLU 43 H GLU 43 -37.447 38.047 0.589 357 HA GLU 43 HA GLU 43 -39.713 39.520 1.611 358 HB2 GLU 43 1HB GLU 43 -39.227 37.363 2.589 359 HB3 GLU 43 2HB GLU 43 -37.589 37.867 2.983 360 HG2 GLU 43 1HG GLU 43 -38.293 39.248 4.711 361 HG3 GLU 43 2HG GLU 43 -39.948 39.321 4.107 362 H GLU 44 H GLU 44 -36.234 39.514 2.413 363 HA GLU 44 HA GLU 44 -36.215 41.826 3.943 364 HB2 GLU 44 1HB GLU 44 -33.829 41.897 3.589 365 HB3 GLU 44 2HB GLU 44 -34.331 40.220 3.756 366 HG2 GLU 44 1HG GLU 44 -34.431 40.281 1.155 367 HG3 GLU 44 2HG GLU 44 -33.372 41.678 1.340 368 H ALA 45 H ALA 45 -35.969 41.439 0.450 369 HA ALA 45 HA ALA 45 -35.365 44.167 -0.103 370 HB1 ALA 45 1HB ALA 45 -35.959 43.574 -2.438 371 HB2 ALA 45 2HB ALA 45 -34.785 42.477 -1.710 372 HB3 ALA 45 3HB ALA 45 -36.472 41.986 -1.865 373 H GLU 46 H GLU 46 -38.344 42.295 0.107 374 HA GLU 46 HA GLU 46 -40.058 44.304 -0.924 375 HB2 GLU 46 1HB GLU 46 -40.392 41.736 0.522 376 HB3 GLU 46 2HB GLU 46 -41.731 42.871 0.619 377 HG2 GLU 46 1HG GLU 46 -42.042 42.858 -1.718 378 HG3 GLU 46 2HG GLU 46 -40.505 42.040 -1.992 379 H LYS 47 H LYS 47 -39.286 43.304 2.402 380 HA LYS 47 HA LYS 47 -40.851 45.357 3.610 381 HB2 LYS 47 1HB LYS 47 -39.671 44.694 5.694 382 HB3 LYS 47 2HB LYS 47 -40.389 43.334 4.842 383 HG2 LYS 47 1HG LYS 47 -37.916 43.300 3.781 384 HG3 LYS 47 2HG LYS 47 -37.565 43.955 5.383 385 HD2 LYS 47 1HD LYS 47 -39.403 41.773 5.625 386 HD3 LYS 47 2HD LYS 47 -38.013 41.265 4.663 387 HE2 LYS 47 1HE LYS 47 -36.506 42.036 6.418 388 HE3 LYS 47 2HE LYS 47 -37.882 42.586 7.372 389 HZ1 LYS 47 3HZ LYS 47 -37.154 39.798 6.684 390 HZ2 LYS 47 1HZ LYS 47 -38.663 40.219 7.323 391 HZ3 LYS 47 2HZ LYS 47 -37.258 40.495 8.222 392 H ARG 48 H ARG 48 -37.391 44.970 2.941 393 HA ARG 48 HA ARG 48 -37.048 47.840 3.517 394 HB2 ARG 48 1HB ARG 48 -35.460 45.486 4.299 395 HB3 ARG 48 2HB ARG 48 -34.518 46.834 3.676 396 HG2 ARG 48 1HG ARG 48 -34.592 47.700 5.714 397 HG3 ARG 48 2HG ARG 48 -36.310 48.001 5.446 398 HD2 ARG 48 1HD ARG 48 -36.956 46.104 6.606 399 HD3 ARG 48 2HD ARG 48 -35.394 45.316 6.385 400 HE ARG 48 HE ARG 48 -36.137 47.145 8.481 401 HH11 ARG 48 1HH1 ARG 48 -33.506 45.736 6.690 402 HH12 ARG 48 2HH1 ARG 48 -32.337 46.011 7.938 403 HH21 ARG 48 1HH2 ARG 48 -34.608 47.512 10.132 404 HH22 ARG 48 2HH2 ARG 48 -32.965 47.020 9.897 405 H LYS 49 H LYS 49 -37.655 48.205 1.281 406 HA LYS 49 HA LYS 49 -36.377 47.150 -0.947 407 HB2 LYS 49 1HB LYS 49 -37.079 49.225 -2.111 408 HB3 LYS 49 2HB LYS 49 -38.372 48.496 -1.168 409 HG2 LYS 49 1HG LYS 49 -38.251 50.154 0.486 410 HG3 LYS 49 2HG LYS 49 -36.680 50.724 -0.084 411 HD2 LYS 49 1HD LYS 49 -37.640 51.679 -2.036 412 HD3 LYS 49 2HD LYS 49 -39.186 50.879 -1.747 413 HE2 LYS 49 1HE LYS 49 -39.884 52.571 -0.486 414 HE3 LYS 49 2HE LYS 49 -38.452 52.458 0.535 415 HZ1 LYS 49 3HZ LYS 49 -37.413 54.107 -0.581 416 HZ2 LYS 49 1HZ LYS 49 -38.999 54.585 -0.923 417 HZ3 LYS 49 2HZ LYS 49 -38.112 53.717 -2.071 418 H ALA 50 H ALA 50 -34.827 48.225 -2.402 419 HA ALA 50 HA ALA 50 -33.035 50.192 -1.323 420 HB1 ALA 50 1HB ALA 50 -31.799 48.688 -0.186 421 HB2 ALA 50 2HB ALA 50 -32.378 47.325 -1.146 422 HB3 ALA 50 3HB ALA 50 -31.104 48.370 -1.776 423 H GLU 51 H GLU 51 -33.481 47.639 -3.748 424 HA GLU 51 HA GLU 51 -32.285 49.439 -5.750 425 HB2 GLU 51 1HB GLU 51 -32.097 46.528 -5.310 426 HB3 GLU 51 2HB GLU 51 -32.320 47.017 -6.984 427 HG2 GLU 51 1HG GLU 51 -30.345 48.372 -6.916 428 HG3 GLU 51 2HG GLU 51 -30.161 48.089 -5.185 429 H ILE 52 H ILE 52 -34.791 46.944 -5.341 430 HA ILE 52 HA ILE 52 -36.129 47.356 -7.751 431 HB ILE 52 HB ILE 52 -37.358 46.528 -5.119 432 HG12 ILE 52 1HG1 ILE 52 -35.437 45.121 -5.744 433 HG13 ILE 52 2HG1 ILE 52 -36.951 44.231 -5.864 434 HG21 ILE 52 1HG2 ILE 52 -39.274 46.542 -6.246 435 HG22 ILE 52 2HG2 ILE 52 -38.448 46.911 -7.759 436 HG23 ILE 52 3HG2 ILE 52 -38.625 45.236 -7.238 437 HD11 ILE 52 3HD1 ILE 52 -36.383 45.441 -8.380 438 HD12 ILE 52 1HD1 ILE 52 -34.963 44.558 -7.822 439 HD13 ILE 52 2HD1 ILE 52 -36.515 43.732 -7.968 Start of MODEL 10 1 H1 MET 1 H MET 1 -8.135 -5.428 2.891 2 HA MET 1 HA MET 1 -9.751 -6.064 1.020 3 HB2 MET 1 1HB MET 1 -11.448 -5.915 3.451 4 HB3 MET 1 2HB MET 1 -12.135 -5.271 1.966 5 HG2 MET 1 1HG MET 1 -11.173 -7.632 1.082 6 HG3 MET 1 2HG MET 1 -11.575 -8.044 2.747 7 HE1 MET 1 3HE MET 1 -14.664 -9.481 2.157 8 HE2 MET 1 1HE MET 1 -13.223 -9.194 3.133 9 HE3 MET 1 2HE MET 1 -14.683 -8.246 3.416 10 H ALA 2 H ALA 2 -9.505 -3.605 3.494 11 HA ALA 2 HA ALA 2 -10.638 -1.448 2.106 12 HB1 ALA 2 1HB ALA 2 -8.673 -1.681 4.343 13 HB2 ALA 2 2HB ALA 2 -8.988 -0.107 3.610 14 HB3 ALA 2 3HB ALA 2 -10.307 -1.017 4.346 15 H VAL 3 H VAL 3 -7.457 -2.906 1.951 16 HA VAL 3 HA VAL 3 -6.880 -1.334 -0.436 17 HB VAL 3 HB VAL 3 -4.874 -1.515 1.814 18 HG11 VAL 3 1HG1 VAL 3 -4.837 -0.397 -0.951 19 HG12 VAL 3 2HG1 VAL 3 -3.871 0.376 0.307 20 HG13 VAL 3 3HG1 VAL 3 -3.604 -1.322 -0.094 21 HG21 VAL 3 3HG2 VAL 3 -6.503 0.863 0.921 22 HG22 VAL 3 1HG2 VAL 3 -6.744 -0.044 2.415 23 HG23 VAL 3 2HG2 VAL 3 -5.253 0.865 2.165 24 H LYS 4 H LYS 4 -5.859 -3.902 1.773 25 HA LYS 4 HA LYS 4 -3.953 -5.169 0.231 26 HB2 LYS 4 1HB LYS 4 -6.028 -6.469 2.006 27 HB3 LYS 4 2HB LYS 4 -4.542 -7.228 1.450 28 HG2 LYS 4 1HG LYS 4 -4.435 -4.669 2.987 29 HG3 LYS 4 2HG LYS 4 -4.648 -6.208 3.824 30 HD2 LYS 4 1HD LYS 4 -2.471 -6.624 3.660 31 HD3 LYS 4 2HD LYS 4 -2.555 -6.483 1.902 32 HE2 LYS 4 1HE LYS 4 -2.217 -4.094 2.042 33 HE3 LYS 4 2HE LYS 4 -2.262 -4.159 3.803 34 HZ1 LYS 4 3HZ LYS 4 -0.022 -4.265 2.312 35 HZ2 LYS 4 1HZ LYS 4 -0.305 -5.907 2.611 36 HZ3 LYS 4 2HZ LYS 4 -0.147 -4.827 3.903 37 H LEU 5 H LEU 5 -7.421 -5.158 -0.130 38 HA LEU 5 HA LEU 5 -7.806 -7.387 -1.738 39 HB2 LEU 5 1HB LEU 5 -9.252 -4.996 -1.058 40 HB3 LEU 5 2HB LEU 5 -9.477 -5.381 -2.763 41 HG LEU 5 HG LEU 5 -10.000 -7.322 -0.515 42 HD11 LEU 5 1HD1 LEU 5 -12.405 -6.852 -1.040 43 HD12 LEU 5 2HD1 LEU 5 -11.862 -5.451 -1.962 44 HD13 LEU 5 3HD1 LEU 5 -11.548 -5.541 -0.229 45 HD21 LEU 5 3HD2 LEU 5 -9.503 -8.305 -2.721 46 HD22 LEU 5 1HD2 LEU 5 -10.822 -7.362 -3.417 47 HD23 LEU 5 2HD2 LEU 5 -11.166 -8.599 -2.207 48 H MET 6 H MET 6 -8.564 -7.100 -4.145 49 HA MET 6 HA MET 6 -6.317 -6.728 -5.719 50 HB2 MET 6 1HB MET 6 -9.247 -6.655 -6.436 51 HB3 MET 6 2HB MET 6 -7.968 -6.598 -7.642 52 HG2 MET 6 1HG MET 6 -7.587 -8.783 -5.790 53 HG3 MET 6 2HG MET 6 -9.161 -8.858 -6.579 54 HE1 MET 6 3HE MET 6 -9.331 -10.346 -8.739 55 HE2 MET 6 1HE MET 6 -9.482 -8.634 -9.135 56 HE3 MET 6 2HE MET 6 -8.505 -9.691 -10.154 57 H GLY 7 H GLY 7 -8.660 -4.406 -4.610 58 HA2 GLY 7 1HA GLY 7 -8.113 -2.085 -4.477 59 HA3 GLY 7 2HA GLY 7 -7.064 -2.285 -5.872 60 H VAL 8 H VAL 8 -9.245 -3.895 -7.204 61 HA VAL 8 HA VAL 8 -10.329 -1.882 -8.792 62 HB VAL 8 HB VAL 8 -11.475 -4.637 -8.315 63 HG11 VAL 8 1HG1 VAL 8 -13.113 -3.303 -9.407 64 HG12 VAL 8 2HG1 VAL 8 -11.912 -2.612 -10.502 65 HG13 VAL 8 3HG1 VAL 8 -12.363 -4.312 -10.643 66 HG21 VAL 8 3HG2 VAL 8 -9.462 -3.667 -10.342 67 HG22 VAL 8 1HG2 VAL 8 -9.154 -4.765 -8.997 68 HG23 VAL 8 2HG2 VAL 8 -10.198 -5.269 -10.326 69 H ASP 9 H ASP 9 -11.372 -3.124 -5.735 70 HA ASP 9 HA ASP 9 -14.068 -2.168 -5.905 71 HB2 ASP 9 1HB ASP 9 -12.366 -3.454 -3.850 72 HB3 ASP 9 2HB ASP 9 -13.677 -2.443 -3.248 73 H LYS 10 H LYS 10 -11.010 -0.828 -4.993 74 HA LYS 10 HA LYS 10 -12.122 1.402 -3.543 75 HB2 LYS 10 1HB LYS 10 -9.786 0.304 -3.259 76 HB3 LYS 10 2HB LYS 10 -9.324 1.301 -4.633 77 HG2 LYS 10 1HG LYS 10 -10.719 2.803 -2.571 78 HG3 LYS 10 2HG LYS 10 -9.236 2.041 -1.990 79 HD2 LYS 10 1HD LYS 10 -9.019 3.362 -4.610 80 HD3 LYS 10 2HD LYS 10 -9.337 4.442 -3.250 81 HE2 LYS 10 1HE LYS 10 -7.403 2.845 -2.213 82 HE3 LYS 10 2HE LYS 10 -6.935 2.882 -3.912 83 HZ1 LYS 10 3HZ LYS 10 -7.588 5.485 -3.160 84 HZ2 LYS 10 1HZ LYS 10 -6.065 4.873 -3.571 85 HZ3 LYS 10 2HZ LYS 10 -6.572 4.865 -1.958 86 H ILE 11 H ILE 11 -10.716 0.856 -6.746 87 HA ILE 11 HA ILE 11 -10.920 3.574 -7.577 88 HB ILE 11 HB ILE 11 -10.525 2.696 -9.856 89 HG12 ILE 11 1HG1 ILE 11 -9.861 0.124 -9.742 90 HG13 ILE 11 2HG1 ILE 11 -11.060 0.116 -8.454 91 HG21 ILE 11 1HG2 ILE 11 -8.280 1.871 -9.447 92 HG22 ILE 11 2HG2 ILE 11 -8.661 3.182 -8.332 93 HG23 ILE 11 3HG2 ILE 11 -8.696 1.510 -7.772 94 HD11 ILE 11 3HD1 ILE 11 -11.499 -0.094 -11.202 95 HD12 ILE 11 1HD1 ILE 11 -12.706 0.069 -9.927 96 HD13 ILE 11 2HD1 ILE 11 -12.084 1.505 -10.741 97 H LYS 12 H LYS 12 -13.016 0.766 -7.786 98 HA LYS 12 HA LYS 12 -14.894 1.991 -9.574 99 HB2 LYS 12 1HB LYS 12 -14.774 -0.390 -9.603 100 HB3 LYS 12 2HB LYS 12 -14.991 -0.489 -7.860 101 HG2 LYS 12 1HG LYS 12 -17.193 0.858 -9.205 102 HG3 LYS 12 2HG LYS 12 -16.951 -0.803 -9.751 103 HD2 LYS 12 1HD LYS 12 -17.835 -1.605 -7.873 104 HD3 LYS 12 2HD LYS 12 -16.722 -0.653 -6.889 105 HE2 LYS 12 1HE LYS 12 -18.591 0.382 -6.191 106 HE3 LYS 12 2HE LYS 12 -18.456 1.262 -7.713 107 HZ1 LYS 12 3HZ LYS 12 -20.497 0.503 -8.111 108 HZ2 LYS 12 1HZ LYS 12 -20.421 -0.656 -6.881 109 HZ3 LYS 12 2HZ LYS 12 -19.781 -1.000 -8.408 110 H SER 13 H SER 13 -14.475 1.793 -6.119 111 HA SER 13 HA SER 13 -17.120 2.901 -5.607 112 HB2 SER 13 1HB SER 13 -14.892 2.056 -3.741 113 HB3 SER 13 2HB SER 13 -16.442 2.705 -3.205 114 HG SER 13 HG SER 13 -16.257 0.452 -4.904 115 H LYS 14 H LYS 14 -13.904 3.954 -6.063 116 HA LYS 14 HA LYS 14 -13.916 6.299 -4.487 117 HB2 LYS 14 1HB LYS 14 -11.820 5.481 -5.276 118 HB3 LYS 14 2HB LYS 14 -12.362 5.511 -6.949 119 HG2 LYS 14 1HG LYS 14 -10.791 7.335 -6.354 120 HG3 LYS 14 2HG LYS 14 -12.339 7.898 -6.988 121 HD2 LYS 14 1HD LYS 14 -12.405 7.607 -4.108 122 HD3 LYS 14 2HD LYS 14 -11.115 8.697 -4.622 123 HE2 LYS 14 1HE LYS 14 -13.258 9.443 -6.193 124 HE3 LYS 14 2HE LYS 14 -14.001 9.074 -4.637 125 HZ1 LYS 14 3HZ LYS 14 -11.781 10.522 -3.995 126 HZ2 LYS 14 1HZ LYS 14 -13.370 11.103 -4.036 127 HZ3 LYS 14 2HZ LYS 14 -12.364 11.294 -5.382 128 H ILE 15 H ILE 15 -13.884 6.304 -8.039 129 HA ILE 15 HA ILE 15 -14.962 8.852 -8.327 130 HB ILE 15 HB ILE 15 -15.335 6.619 -10.318 131 HG12 ILE 15 1HG1 ILE 15 -13.079 8.080 -11.050 132 HG13 ILE 15 2HG1 ILE 15 -12.895 7.848 -9.315 133 HG21 ILE 15 1HG2 ILE 15 -16.319 9.103 -10.440 134 HG22 ILE 15 2HG2 ILE 15 -14.719 9.396 -11.120 135 HG23 ILE 15 3HG2 ILE 15 -15.789 8.209 -11.865 136 HD11 ILE 15 3HD1 ILE 15 -12.509 5.985 -11.465 137 HD12 ILE 15 1HD1 ILE 15 -12.072 5.846 -9.762 138 HD13 ILE 15 2HD1 ILE 15 -13.682 5.366 -10.302 139 H LEU 16 H LEU 16 -16.549 5.743 -7.983 140 HA LEU 16 HA LEU 16 -19.143 6.539 -8.746 141 HB2 LEU 16 1HB LEU 16 -18.582 4.214 -8.617 142 HB3 LEU 16 2HB LEU 16 -18.182 4.357 -6.907 143 HG LEU 16 HG LEU 16 -20.424 3.258 -7.640 144 HD11 LEU 16 1HD1 LEU 16 -21.108 5.178 -5.576 145 HD12 LEU 16 2HD1 LEU 16 -19.515 4.464 -5.330 146 HD13 LEU 16 3HD1 LEU 16 -20.932 3.425 -5.480 147 HD21 LEU 16 3HD2 LEU 16 -21.535 5.999 -7.412 148 HD22 LEU 16 1HD2 LEU 16 -22.172 4.582 -8.245 149 HD23 LEU 16 2HD2 LEU 16 -20.861 5.514 -8.968 150 H ASP 17 H ASP 17 -17.804 6.057 -5.473 151 HA ASP 17 HA ASP 17 -20.007 7.187 -4.127 152 HB2 ASP 17 1HB ASP 17 -17.132 6.852 -3.249 153 HB3 ASP 17 2HB ASP 17 -18.449 7.327 -2.180 154 H ASP 18 H ASP 18 -17.030 8.568 -5.387 155 HA ASP 18 HA ASP 18 -17.285 11.107 -4.160 156 HB2 ASP 18 1HB ASP 18 -15.142 10.802 -4.925 157 HB3 ASP 18 2HB ASP 18 -15.668 9.961 -6.382 158 H ALA 19 H ALA 19 -18.176 9.913 -7.385 159 HA ALA 19 HA ALA 19 -19.168 12.317 -8.414 160 HB1 ALA 19 1HB ALA 19 -19.908 9.465 -9.039 161 HB2 ALA 19 2HB ALA 19 -20.474 10.854 -9.966 162 HB3 ALA 19 3HB ALA 19 -18.750 10.489 -9.889 163 H LYS 20 H LYS 20 -21.087 9.582 -7.150 164 HA LYS 20 HA LYS 20 -23.552 10.824 -7.115 165 HB2 LYS 20 1HB LYS 20 -24.165 9.190 -5.344 166 HB3 LYS 20 2HB LYS 20 -23.349 8.454 -6.716 167 HG2 LYS 20 1HG LYS 20 -22.154 7.434 -5.113 168 HG3 LYS 20 2HG LYS 20 -21.236 8.942 -5.124 169 HD2 LYS 20 1HD LYS 20 -21.686 8.614 -2.866 170 HD3 LYS 20 2HD LYS 20 -22.955 9.734 -3.366 171 HE2 LYS 20 1HE LYS 20 -24.008 7.206 -3.857 172 HE3 LYS 20 2HE LYS 20 -23.166 7.045 -2.317 173 HZ1 LYS 20 3HZ LYS 20 -24.514 9.419 -2.128 174 HZ2 LYS 20 1HZ LYS 20 -24.958 7.954 -1.408 175 HZ3 LYS 20 2HZ LYS 20 -25.609 8.391 -2.907 176 H ALA 21 H ALA 21 -20.982 10.936 -4.702 177 HA ALA 21 HA ALA 21 -22.448 12.295 -2.703 178 HB1 ALA 21 1HB ALA 21 -19.483 12.144 -3.219 179 HB2 ALA 21 2HB ALA 21 -20.207 12.861 -1.779 180 HB3 ALA 21 3HB ALA 21 -20.430 11.144 -2.117 181 H GLU 22 H GLU 22 -20.128 13.491 -5.132 182 HA GLU 22 HA GLU 22 -20.346 16.208 -4.480 183 HB2 GLU 22 1HB GLU 22 -19.488 14.721 -6.938 184 HB3 GLU 22 2HB GLU 22 -19.639 16.472 -6.982 185 HG2 GLU 22 1HG GLU 22 -18.170 16.233 -4.768 186 HG3 GLU 22 2HG GLU 22 -17.658 14.770 -5.606 187 H ALA 23 H ALA 23 -22.308 14.138 -6.510 188 HA ALA 23 HA ALA 23 -23.819 16.319 -7.639 189 HB1 ALA 23 1HB ALA 23 -24.523 13.392 -7.696 190 HB2 ALA 23 2HB ALA 23 -25.069 14.660 -8.795 191 HB3 ALA 23 3HB ALA 23 -23.383 14.143 -8.813 192 H ASN 24 H ASN 24 -23.937 14.420 -4.789 193 HA ASN 24 HA ASN 24 -26.761 14.927 -4.313 194 HB2 ASN 24 1HB ASN 24 -24.674 13.209 -3.118 195 HB3 ASN 24 2HB ASN 24 -25.861 13.851 -1.987 196 HD21 ASN 24 2HD2 ASN 24 -25.238 11.159 -3.378 197 HD22 ASN 24 1HD2 ASN 24 -26.803 10.604 -3.856 198 H LYS 25 H LYS 25 -23.666 16.223 -3.472 199 HA LYS 25 HA LYS 25 -24.739 17.813 -1.282 200 HB2 LYS 25 1HB LYS 25 -22.425 18.614 -1.023 201 HB3 LYS 25 2HB LYS 25 -22.518 16.858 -1.002 202 HG2 LYS 25 1HG LYS 25 -20.705 17.185 -2.355 203 HG3 LYS 25 2HG LYS 25 -21.999 17.096 -3.553 204 HD2 LYS 25 1HD LYS 25 -21.342 19.084 -4.306 205 HD3 LYS 25 2HD LYS 25 -21.878 19.782 -2.776 206 HE2 LYS 25 1HE LYS 25 -19.520 18.922 -1.961 207 HE3 LYS 25 2HE LYS 25 -19.140 19.039 -3.679 208 HZ1 LYS 25 3HZ LYS 25 -18.574 21.092 -2.651 209 HZ2 LYS 25 1HZ LYS 25 -20.087 21.219 -1.903 210 HZ3 LYS 25 2HZ LYS 25 -19.959 21.367 -3.583 211 H ILE 26 H ILE 26 -23.979 18.107 -4.642 212 HA ILE 26 HA ILE 26 -23.862 20.979 -4.667 213 HB ILE 26 HB ILE 26 -22.789 19.370 -6.365 214 HG12 ILE 26 1HG1 ILE 26 -23.117 21.033 -8.215 215 HG13 ILE 26 2HG1 ILE 26 -24.366 21.798 -7.239 216 HG21 ILE 26 1HG2 ILE 26 -25.127 18.293 -6.727 217 HG22 ILE 26 2HG2 ILE 26 -25.367 19.630 -7.850 218 HG23 ILE 26 3HG2 ILE 26 -24.039 18.498 -8.099 219 HD11 ILE 26 3HD1 ILE 26 -21.573 22.232 -7.198 220 HD12 ILE 26 1HD1 ILE 26 -22.825 23.014 -6.233 221 HD13 ILE 26 2HD1 ILE 26 -22.042 21.548 -5.642 222 H ILE 27 H ILE 27 -26.333 18.563 -4.927 223 HA ILE 27 HA ILE 27 -28.290 20.360 -6.071 224 HB ILE 27 HB ILE 27 -29.886 18.488 -5.671 225 HG12 ILE 27 1HG1 ILE 27 -28.043 16.380 -5.222 226 HG13 ILE 27 2HG1 ILE 27 -27.752 17.590 -3.978 227 HG21 ILE 27 1HG2 ILE 27 -27.421 18.264 -7.302 228 HG22 ILE 27 2HG2 ILE 27 -28.454 16.841 -7.184 229 HG23 ILE 27 3HG2 ILE 27 -29.108 18.356 -7.804 230 HD11 ILE 27 3HD1 ILE 27 -30.054 17.492 -3.287 231 HD12 ILE 27 1HD1 ILE 27 -30.435 16.382 -4.604 232 HD13 ILE 27 2HD1 ILE 27 -29.367 15.868 -3.297 233 H SER 28 H SER 28 -27.371 19.178 -2.913 234 HA SER 28 HA SER 28 -29.724 20.260 -1.621 235 HB2 SER 28 1HB SER 28 -28.328 18.173 -0.912 236 HB3 SER 28 2HB SER 28 -27.264 19.357 -0.151 237 HG SER 28 HG SER 28 -29.082 20.110 1.022 238 H GLU 29 H GLU 29 -26.219 20.904 -1.466 239 HA GLU 29 HA GLU 29 -26.340 23.170 0.148 240 HB2 GLU 29 1HB GLU 29 -24.361 22.412 -2.004 241 HB3 GLU 29 2HB GLU 29 -24.132 23.765 -0.905 242 HG2 GLU 29 1HG GLU 29 -24.711 21.138 0.317 243 HG3 GLU 29 2HG GLU 29 -23.137 21.337 -0.453 244 H ALA 30 H ALA 30 -27.135 22.759 -3.184 245 HA ALA 30 HA ALA 30 -26.978 25.565 -3.845 246 HB1 ALA 30 1HB ALA 30 -28.133 24.787 -5.965 247 HB2 ALA 30 2HB ALA 30 -26.538 24.107 -5.642 248 HB3 ALA 30 3HB ALA 30 -27.986 23.150 -5.324 249 H GLU 31 H GLU 31 -29.723 23.291 -4.014 250 HA GLU 31 HA GLU 31 -31.741 25.170 -4.101 251 HB2 GLU 31 1HB GLU 31 -33.253 23.433 -3.558 252 HB3 GLU 31 2HB GLU 31 -31.928 22.659 -4.416 253 HG2 GLU 31 1HG GLU 31 -30.965 22.163 -2.099 254 HG3 GLU 31 2HG GLU 31 -32.567 22.577 -1.493 255 H ALA 32 H ALA 32 -29.894 24.057 -1.371 256 HA ALA 32 HA ALA 32 -31.609 24.932 0.693 257 HB1 ALA 32 1HB ALA 32 -29.952 23.452 1.376 258 HB2 ALA 32 2HB ALA 32 -28.675 24.345 0.548 259 HB3 ALA 32 3HB ALA 32 -29.399 25.000 2.016 260 H GLU 33 H GLU 33 -28.510 26.432 -0.241 261 HA GLU 33 HA GLU 33 -29.049 28.886 1.011 262 HB2 GLU 33 1HB GLU 33 -27.092 29.716 -0.074 263 HB3 GLU 33 2HB GLU 33 -26.789 28.031 0.325 264 HG2 GLU 33 1HG GLU 33 -27.530 27.519 -2.065 265 HG3 GLU 33 2HG GLU 33 -27.344 29.248 -2.355 266 H LYS 34 H LYS 34 -29.924 27.637 -2.103 267 HA LYS 34 HA LYS 34 -30.515 30.143 -3.332 268 HB2 LYS 34 1HB LYS 34 -30.048 28.044 -4.591 269 HB3 LYS 34 2HB LYS 34 -31.585 27.402 -4.027 270 HG2 LYS 34 1HG LYS 34 -32.693 28.441 -5.641 271 HG3 LYS 34 2HG LYS 34 -31.941 29.988 -5.246 272 HD2 LYS 34 1HD LYS 34 -31.310 29.546 -7.469 273 HD3 LYS 34 2HD LYS 34 -29.895 29.129 -6.498 274 HE2 LYS 34 1HE LYS 34 -29.981 26.985 -7.119 275 HE3 LYS 34 2HE LYS 34 -31.719 26.891 -6.841 276 HZ1 LYS 34 3HZ LYS 34 -30.938 26.539 -9.196 277 HZ2 LYS 34 1HZ LYS 34 -30.569 28.189 -9.240 278 HZ3 LYS 34 2HZ LYS 34 -32.164 27.686 -8.989 279 H ALA 35 H ALA 35 -32.644 27.553 -2.106 280 HA ALA 35 HA ALA 35 -35.035 28.995 -2.329 281 HB1 ALA 35 1HB ALA 35 -35.991 27.321 -0.834 282 HB2 ALA 35 2HB ALA 35 -34.961 26.568 -2.054 283 HB3 ALA 35 3HB ALA 35 -34.371 26.770 -0.404 284 H LYS 36 H LYS 36 -32.466 29.285 -0.097 285 HA LYS 36 HA LYS 36 -34.047 30.455 2.020 286 HB2 LYS 36 1HB LYS 36 -31.857 29.119 2.277 287 HB3 LYS 36 2HB LYS 36 -31.051 30.603 1.789 288 HG2 LYS 36 1HG LYS 36 -31.803 31.761 3.696 289 HG3 LYS 36 2HG LYS 36 -32.975 30.501 4.091 290 HD2 LYS 36 1HD LYS 36 -31.330 29.952 5.573 291 HD3 LYS 36 2HD LYS 36 -30.783 29.012 4.182 292 HE2 LYS 36 1HE LYS 36 -29.195 30.705 3.587 293 HE3 LYS 36 2HE LYS 36 -29.837 31.805 4.806 294 HZ1 LYS 36 3HZ LYS 36 -28.856 30.645 6.502 295 HZ2 LYS 36 1HZ LYS 36 -27.706 30.423 5.281 296 HZ3 LYS 36 2HZ LYS 36 -28.802 29.188 5.645 297 H ILE 37 H ILE 37 -31.666 31.596 -0.358 298 HA ILE 37 HA ILE 37 -31.969 34.345 0.398 299 HB ILE 37 HB ILE 37 -30.532 34.865 -1.469 300 HG12 ILE 37 1HG1 ILE 37 -30.885 31.970 -2.278 301 HG13 ILE 37 2HG1 ILE 37 -31.535 33.366 -3.131 302 HG21 ILE 37 1HG2 ILE 37 -29.877 33.051 0.605 303 HG22 ILE 37 2HG2 ILE 37 -28.989 32.563 -0.837 304 HG23 ILE 37 3HG2 ILE 37 -28.825 34.205 -0.215 305 HD11 ILE 37 3HD1 ILE 37 -28.759 32.332 -3.013 306 HD12 ILE 37 1HD1 ILE 37 -29.682 32.953 -4.381 307 HD13 ILE 37 2HD1 ILE 37 -28.999 34.069 -3.197 308 H LEU 38 H LEU 38 -33.417 32.212 -1.952 309 HA LEU 38 HA LEU 38 -34.540 34.177 -3.642 310 HB2 LEU 38 1HB LEU 38 -34.928 31.287 -3.158 311 HB3 LEU 38 2HB LEU 38 -36.268 32.143 -3.918 312 HG LEU 38 HG LEU 38 -35.065 32.578 -5.849 313 HD11 LEU 38 1HD1 LEU 38 -32.565 32.071 -4.247 314 HD12 LEU 38 2HD1 LEU 38 -33.123 33.608 -4.905 315 HD13 LEU 38 3HD1 LEU 38 -32.594 32.325 -5.992 316 HD21 LEU 38 3HD2 LEU 38 -34.060 29.935 -4.803 317 HD22 LEU 38 1HD2 LEU 38 -33.967 30.453 -6.486 318 HD23 LEU 38 2HD2 LEU 38 -35.539 30.220 -5.721 319 H GLU 39 H GLU 39 -35.659 32.634 -0.683 320 HA GLU 39 HA GLU 39 -38.214 34.020 -0.816 321 HB2 GLU 39 1HB GLU 39 -38.882 32.708 1.037 322 HB3 GLU 39 2HB GLU 39 -37.955 31.633 -0.001 323 HG2 GLU 39 1HG GLU 39 -37.092 31.095 2.038 324 HG3 GLU 39 2HG GLU 39 -35.967 32.356 1.536 325 H LYS 40 H LYS 40 -35.152 34.205 0.848 326 HA LYS 40 HA LYS 40 -36.022 36.065 2.845 327 HB2 LYS 40 1HB LYS 40 -34.112 34.647 3.290 328 HB3 LYS 40 2HB LYS 40 -33.263 35.284 1.887 329 HG2 LYS 40 1HG LYS 40 -32.460 36.996 3.047 330 HG3 LYS 40 2HG LYS 40 -34.052 37.396 3.695 331 HD2 LYS 40 1HD LYS 40 -33.775 35.607 5.380 332 HD3 LYS 40 2HD LYS 40 -32.148 35.311 4.761 333 HE2 LYS 40 1HE LYS 40 -31.840 36.702 6.624 334 HE3 LYS 40 2HE LYS 40 -31.700 37.775 5.232 335 HZ1 LYS 40 3HZ LYS 40 -33.092 38.632 7.100 336 HZ2 LYS 40 1HZ LYS 40 -34.217 37.414 6.758 337 HZ3 LYS 40 2HZ LYS 40 -33.874 38.598 5.600 338 H ALA 41 H ALA 41 -34.174 36.337 -0.178 339 HA ALA 41 HA ALA 41 -33.854 39.154 -0.033 340 HB1 ALA 41 1HB ALA 41 -32.982 39.025 -2.236 341 HB2 ALA 41 2HB ALA 41 -32.456 37.566 -1.395 342 HB3 ALA 41 3HB ALA 41 -33.795 37.490 -2.541 343 H LYS 42 H LYS 42 -36.015 37.120 -2.013 344 HA LYS 42 HA LYS 42 -37.429 39.131 -3.282 345 HB2 LYS 42 1HB LYS 42 -37.687 36.813 -3.922 346 HB3 LYS 42 2HB LYS 42 -38.378 36.416 -2.354 347 HG2 LYS 42 1HG LYS 42 -39.876 38.525 -3.612 348 HG3 LYS 42 2HG LYS 42 -39.741 37.126 -4.679 349 HD2 LYS 42 1HD LYS 42 -40.503 36.801 -1.797 350 HD3 LYS 42 2HD LYS 42 -41.710 37.229 -3.012 351 HE2 LYS 42 1HE LYS 42 -40.910 35.218 -4.322 352 HE3 LYS 42 2HE LYS 42 -39.999 34.755 -2.885 353 HZ1 LYS 42 3HZ LYS 42 -42.561 34.064 -3.401 354 HZ2 LYS 42 1HZ LYS 42 -42.755 35.374 -2.348 355 HZ3 LYS 42 2HZ LYS 42 -41.835 34.036 -1.873 356 H GLU 43 H GLU 43 -37.718 37.935 -0.014 357 HA GLU 43 HA GLU 43 -40.188 39.361 0.482 358 HB2 GLU 43 1HB GLU 43 -38.372 37.645 2.146 359 HB3 GLU 43 2HB GLU 43 -39.615 38.626 2.909 360 HG2 GLU 43 1HG GLU 43 -41.343 37.482 1.716 361 HG3 GLU 43 2HG GLU 43 -40.158 36.609 0.745 362 H GLU 44 H GLU 44 -36.966 39.467 2.018 363 HA GLU 44 HA GLU 44 -37.265 41.807 3.431 364 HB2 GLU 44 1HB GLU 44 -34.913 41.898 3.610 365 HB3 GLU 44 2HB GLU 44 -35.302 40.191 3.454 366 HG2 GLU 44 1HG GLU 44 -34.863 40.551 0.940 367 HG3 GLU 44 2HG GLU 44 -34.049 42.026 1.456 368 H ALA 45 H ALA 45 -36.552 41.387 0.023 369 HA ALA 45 HA ALA 45 -35.834 44.071 -0.527 370 HB1 ALA 45 1HB ALA 45 -35.231 42.294 -2.047 371 HB2 ALA 45 2HB ALA 45 -36.931 41.936 -2.352 372 HB3 ALA 45 3HB ALA 45 -36.244 43.470 -2.884 373 H GLU 46 H GLU 46 -38.847 42.334 -1.346 374 HA GLU 46 HA GLU 46 -40.302 44.583 -2.122 375 HB2 GLU 46 1HB GLU 46 -42.264 43.211 -1.960 376 HB3 GLU 46 2HB GLU 46 -40.946 42.208 -2.548 377 HG2 GLU 46 1HG GLU 46 -40.676 41.186 -0.406 378 HG3 GLU 46 2HG GLU 46 -41.822 42.307 0.326 379 H LYS 47 H LYS 47 -39.656 43.263 1.042 380 HA LYS 47 HA LYS 47 -41.657 44.787 2.409 381 HB2 LYS 47 1HB LYS 47 -39.368 43.049 3.213 382 HB3 LYS 47 2HB LYS 47 -40.032 44.156 4.407 383 HG2 LYS 47 1HG LYS 47 -42.097 43.093 4.429 384 HG3 LYS 47 2HG LYS 47 -41.818 42.309 2.872 385 HD2 LYS 47 1HD LYS 47 -41.641 40.681 4.656 386 HD3 LYS 47 2HD LYS 47 -40.058 40.929 3.915 387 HE2 LYS 47 1HE LYS 47 -39.442 42.434 5.743 388 HE3 LYS 47 2HE LYS 47 -41.026 42.195 6.478 389 HZ1 LYS 47 3HZ LYS 47 -40.213 40.434 7.515 390 HZ2 LYS 47 1HZ LYS 47 -38.715 40.620 6.750 391 HZ3 LYS 47 2HZ LYS 47 -39.920 39.678 6.030 392 H ARG 48 H ARG 48 -38.110 45.044 2.176 393 HA ARG 48 HA ARG 48 -36.690 46.801 2.438 394 HB2 ARG 48 1HB ARG 48 -38.857 47.757 0.951 395 HB3 ARG 48 2HB ARG 48 -38.586 48.978 2.188 396 HG2 ARG 48 1HG ARG 48 -36.874 49.782 1.045 397 HG3 ARG 48 2HG ARG 48 -36.067 48.213 1.113 398 HD2 ARG 48 1HD ARG 48 -36.757 47.615 -0.971 399 HD3 ARG 48 2HD ARG 48 -38.262 48.525 -0.852 400 HE ARG 48 HE ARG 48 -37.202 50.333 -1.776 401 HH11 ARG 48 1HH1 ARG 48 -34.820 48.022 -0.726 402 HH12 ARG 48 2HH1 ARG 48 -33.494 48.856 -1.466 403 HH21 ARG 48 1HH2 ARG 48 -35.465 51.440 -2.756 404 HH22 ARG 48 2HH2 ARG 48 -33.862 50.801 -2.620 405 H LYS 49 H LYS 49 -38.254 45.759 4.723 406 HA LYS 49 HA LYS 49 -38.684 46.216 6.916 407 HB2 LYS 49 1HB LYS 49 -36.136 47.188 6.254 408 HB3 LYS 49 2HB LYS 49 -36.873 48.447 7.237 409 HG2 LYS 49 1HG LYS 49 -37.218 46.938 9.047 410 HG3 LYS 49 2HG LYS 49 -36.752 45.554 8.055 411 HD2 LYS 49 1HD LYS 49 -34.624 47.401 7.931 412 HD3 LYS 49 2HD LYS 49 -35.102 47.288 9.626 413 HE2 LYS 49 1HE LYS 49 -35.048 44.755 9.281 414 HE3 LYS 49 2HE LYS 49 -34.180 45.100 7.786 415 HZ1 LYS 49 3HZ LYS 49 -33.227 46.312 10.282 416 HZ2 LYS 49 1HZ LYS 49 -32.354 45.849 8.908 417 HZ3 LYS 49 2HZ LYS 49 -32.898 44.677 10.000 418 H ALA 50 H ALA 50 -38.664 48.463 8.465 419 HA ALA 50 HA ALA 50 -41.103 49.698 7.787 420 HB1 ALA 50 1HB ALA 50 -39.881 49.408 10.089 421 HB2 ALA 50 2HB ALA 50 -39.227 51.000 9.701 422 HB3 ALA 50 3HB ALA 50 -40.972 50.766 9.812 423 H GLU 51 H GLU 51 -40.971 52.339 8.188 424 HA GLU 51 HA GLU 51 -40.274 53.394 5.714 425 HB2 GLU 51 1HB GLU 51 -40.431 55.635 6.896 426 HB3 GLU 51 2HB GLU 51 -41.842 54.594 7.016 427 HG2 GLU 51 1HG GLU 51 -41.540 54.199 9.244 428 HG3 GLU 51 2HG GLU 51 -39.798 54.454 9.166 429 H ILE 52 H ILE 52 -38.370 52.994 8.606 430 HA ILE 52 HA ILE 52 -36.049 54.096 7.166 431 HB ILE 52 HB ILE 52 -36.563 54.365 10.130 432 HG12 ILE 52 1HG1 ILE 52 -38.000 55.853 8.819 433 HG13 ILE 52 2HG1 ILE 52 -36.761 56.774 9.664 434 HG21 ILE 52 1HG2 ILE 52 -34.548 56.063 9.606 435 HG22 ILE 52 2HG2 ILE 52 -34.306 54.397 10.127 436 HG23 ILE 52 3HG2 ILE 52 -34.205 54.809 8.416 437 HD11 ILE 52 3HD1 ILE 52 -37.363 56.707 6.889 438 HD12 ILE 52 1HD1 ILE 52 -36.186 57.701 7.747 439 HD13 ILE 52 2HD1 ILE 52 -35.720 56.115 7.130 Start of MODEL 11 1 H1 MET 1 H MET 1 -17.077 -11.860 -0.936 2 HA MET 1 HA MET 1 -17.102 -10.158 -2.448 3 HB2 MET 1 1HB MET 1 -19.631 -10.253 -1.181 4 HB3 MET 1 2HB MET 1 -19.227 -8.554 -1.382 5 HG2 MET 1 1HG MET 1 -18.655 -9.208 -3.807 6 HG3 MET 1 2HG MET 1 -19.589 -10.663 -3.467 7 HE1 MET 1 3HE MET 1 -21.302 -8.688 -5.891 8 HE2 MET 1 1HE MET 1 -20.876 -7.094 -5.267 9 HE3 MET 1 2HE MET 1 -19.630 -8.327 -5.462 10 H ALA 2 H ALA 2 -16.788 -7.826 -2.782 11 HA ALA 2 HA ALA 2 -15.731 -5.862 -2.330 12 HB1 ALA 2 1HB ALA 2 -16.533 -4.645 -0.586 13 HB2 ALA 2 2HB ALA 2 -17.727 -5.944 -0.578 14 HB3 ALA 2 3HB ALA 2 -16.381 -5.977 0.561 15 H VAL 3 H VAL 3 -14.498 -8.607 -1.696 16 HA VAL 3 HA VAL 3 -12.058 -7.517 -0.529 17 HB VAL 3 HB VAL 3 -13.291 -10.054 0.550 18 HG11 VAL 3 1HG1 VAL 3 -11.176 -8.745 2.072 19 HG12 VAL 3 2HG1 VAL 3 -11.364 -10.440 1.616 20 HG13 VAL 3 3HG1 VAL 3 -10.654 -9.294 0.479 21 HG21 VAL 3 3HG2 VAL 3 -13.695 -8.817 2.607 22 HG22 VAL 3 1HG2 VAL 3 -13.064 -7.347 1.863 23 HG23 VAL 3 2HG2 VAL 3 -14.555 -8.072 1.260 24 H LYS 4 H LYS 4 -13.694 -10.289 -1.996 25 HA LYS 4 HA LYS 4 -11.534 -11.859 -2.680 26 HB2 LYS 4 1HB LYS 4 -12.911 -12.782 -4.449 27 HB3 LYS 4 2HB LYS 4 -13.899 -12.491 -3.024 28 HG2 LYS 4 1HG LYS 4 -14.750 -10.435 -4.030 29 HG3 LYS 4 2HG LYS 4 -13.757 -10.725 -5.460 30 HD2 LYS 4 1HD LYS 4 -15.782 -11.584 -6.140 31 HD3 LYS 4 2HD LYS 4 -15.000 -13.028 -5.492 32 HE2 LYS 4 1HE LYS 4 -16.153 -12.333 -3.270 33 HE3 LYS 4 2HE LYS 4 -17.193 -11.365 -4.313 34 HZ1 LYS 4 3HZ LYS 4 -18.190 -13.500 -3.944 35 HZ2 LYS 4 1HZ LYS 4 -16.792 -14.304 -4.458 36 HZ3 LYS 4 2HZ LYS 4 -17.705 -13.405 -5.562 37 H LEU 5 H LEU 5 -12.730 -8.950 -4.253 38 HA LEU 5 HA LEU 5 -11.202 -9.111 -6.606 39 HB2 LEU 5 1HB LEU 5 -12.020 -6.582 -5.194 40 HB3 LEU 5 2HB LEU 5 -11.685 -6.791 -6.911 41 HG LEU 5 HG LEU 5 -14.060 -7.847 -5.381 42 HD11 LEU 5 1HD1 LEU 5 -15.287 -6.191 -6.316 43 HD12 LEU 5 2HD1 LEU 5 -14.301 -6.129 -7.776 44 HD13 LEU 5 3HD1 LEU 5 -13.731 -5.361 -6.294 45 HD21 LEU 5 3HD2 LEU 5 -14.242 -9.434 -6.922 46 HD22 LEU 5 1HD2 LEU 5 -12.824 -8.828 -7.778 47 HD23 LEU 5 2HD2 LEU 5 -14.421 -8.175 -8.144 48 H MET 6 H MET 6 -9.738 -6.819 -6.832 49 HA MET 6 HA MET 6 -7.701 -6.953 -4.726 50 HB2 MET 6 1HB MET 6 -5.937 -6.908 -6.516 51 HB3 MET 6 2HB MET 6 -6.828 -8.419 -6.394 52 HG2 MET 6 1HG MET 6 -8.135 -6.681 -8.251 53 HG3 MET 6 2HG MET 6 -6.428 -6.822 -8.664 54 HE1 MET 6 3HE MET 6 -5.871 -10.517 -9.327 55 HE2 MET 6 1HE MET 6 -5.186 -8.987 -8.778 56 HE3 MET 6 2HE MET 6 -5.927 -10.088 -7.617 57 H GLY 7 H GLY 7 -9.099 -4.918 -4.377 58 HA2 GLY 7 1HA GLY 7 -8.681 -2.618 -4.123 59 HA3 GLY 7 2HA GLY 7 -7.596 -2.685 -5.503 60 H VAL 8 H VAL 8 -9.892 -4.254 -6.870 61 HA VAL 8 HA VAL 8 -10.860 -2.208 -8.466 62 HB VAL 8 HB VAL 8 -12.305 -4.794 -7.878 63 HG11 VAL 8 1HG1 VAL 8 -12.924 -4.413 -10.369 64 HG12 VAL 8 2HG1 VAL 8 -13.788 -3.518 -9.117 65 HG13 VAL 8 3HG1 VAL 8 -12.503 -2.733 -10.037 66 HG21 VAL 8 3HG2 VAL 8 -10.062 -5.351 -8.476 67 HG22 VAL 8 1HG2 VAL 8 -11.074 -5.629 -9.893 68 HG23 VAL 8 2HG2 VAL 8 -10.064 -4.186 -9.800 69 H ASP 9 H ASP 9 -12.091 -3.449 -5.432 70 HA ASP 9 HA ASP 9 -14.632 -2.196 -5.541 71 HB2 ASP 9 1HB ASP 9 -12.958 -3.338 -3.320 72 HB3 ASP 9 2HB ASP 9 -14.461 -2.489 -2.969 73 H LYS 10 H LYS 10 -11.454 -1.110 -4.641 74 HA LYS 10 HA LYS 10 -12.338 1.240 -3.251 75 HB2 LYS 10 1HB LYS 10 -9.813 -0.061 -3.855 76 HB3 LYS 10 2HB LYS 10 -9.711 1.680 -4.082 77 HG2 LYS 10 1HG LYS 10 -10.753 0.378 -1.578 78 HG3 LYS 10 2HG LYS 10 -9.076 0.878 -1.809 79 HD2 LYS 10 1HD LYS 10 -9.597 3.119 -1.761 80 HD3 LYS 10 2HD LYS 10 -11.257 2.853 -2.299 81 HE2 LYS 10 1HE LYS 10 -10.926 1.526 0.184 82 HE3 LYS 10 2HE LYS 10 -10.261 3.150 0.353 83 HZ1 LYS 10 3HZ LYS 10 -12.976 2.521 -0.675 84 HZ2 LYS 10 1HZ LYS 10 -12.335 4.067 -0.426 85 HZ3 LYS 10 2HZ LYS 10 -12.630 3.051 0.894 86 H ILE 11 H ILE 11 -10.844 0.649 -6.430 87 HA ILE 11 HA ILE 11 -11.017 3.333 -7.305 88 HB ILE 11 HB ILE 11 -10.658 2.409 -9.580 89 HG12 ILE 11 1HG1 ILE 11 -10.038 -0.180 -9.390 90 HG13 ILE 11 2HG1 ILE 11 -11.265 -0.122 -8.129 91 HG21 ILE 11 1HG2 ILE 11 -8.935 1.796 -7.252 92 HG22 ILE 11 2HG2 ILE 11 -8.499 1.058 -8.792 93 HG23 ILE 11 3HG2 ILE 11 -8.623 2.812 -8.659 94 HD11 ILE 11 3HD1 ILE 11 -12.219 1.233 -10.457 95 HD12 ILE 11 1HD1 ILE 11 -11.641 -0.376 -10.891 96 HD13 ILE 11 2HD1 ILE 11 -12.872 -0.187 -9.642 97 H LYS 12 H LYS 12 -13.182 0.570 -7.578 98 HA LYS 12 HA LYS 12 -15.010 1.821 -9.373 99 HB2 LYS 12 1HB LYS 12 -14.978 -0.568 -9.294 100 HB3 LYS 12 2HB LYS 12 -15.242 -0.577 -7.555 101 HG2 LYS 12 1HG LYS 12 -17.350 0.803 -9.009 102 HG3 LYS 12 2HG LYS 12 -17.167 -0.886 -9.488 103 HD2 LYS 12 1HD LYS 12 -18.152 -1.567 -7.614 104 HD3 LYS 12 2HD LYS 12 -16.995 -0.664 -6.634 105 HE2 LYS 12 1HE LYS 12 -18.365 1.177 -6.473 106 HE3 LYS 12 2HE LYS 12 -19.219 0.805 -7.970 107 HZ1 LYS 12 3HZ LYS 12 -20.585 -0.689 -6.926 108 HZ2 LYS 12 1HZ LYS 12 -20.365 0.439 -5.684 109 HZ3 LYS 12 2HZ LYS 12 -19.492 -1.010 -5.675 110 H SER 13 H SER 13 -14.575 1.828 -5.931 111 HA SER 13 HA SER 13 -17.202 2.991 -5.451 112 HB2 SER 13 1HB SER 13 -14.940 2.198 -3.611 113 HB3 SER 13 2HB SER 13 -16.399 3.013 -3.044 114 HG SER 13 HG SER 13 -17.051 1.000 -2.875 115 H LYS 14 H LYS 14 -13.907 3.957 -5.848 116 HA LYS 14 HA LYS 14 -13.953 6.434 -4.524 117 HB2 LYS 14 1HB LYS 14 -12.007 5.055 -5.689 118 HB3 LYS 14 2HB LYS 14 -12.377 6.120 -7.039 119 HG2 LYS 14 1HG LYS 14 -11.505 6.923 -4.274 120 HG3 LYS 14 2HG LYS 14 -10.590 7.077 -5.776 121 HD2 LYS 14 1HD LYS 14 -13.178 8.498 -5.145 122 HD3 LYS 14 2HD LYS 14 -11.568 9.218 -5.067 123 HE2 LYS 14 1HE LYS 14 -11.961 7.950 -7.613 124 HE3 LYS 14 2HE LYS 14 -13.286 9.066 -7.286 125 HZ1 LYS 14 3HZ LYS 14 -11.473 10.179 -8.414 126 HZ2 LYS 14 1HZ LYS 14 -10.392 9.730 -7.192 127 HZ3 LYS 14 2HZ LYS 14 -11.654 10.804 -6.852 128 H ILE 15 H ILE 15 -14.031 5.973 -8.060 129 HA ILE 15 HA ILE 15 -14.939 8.541 -8.663 130 HB ILE 15 HB ILE 15 -15.519 6.078 -10.305 131 HG12 ILE 15 1HG1 ILE 15 -13.211 7.441 -11.239 132 HG13 ILE 15 2HG1 ILE 15 -12.992 7.169 -9.514 133 HG21 ILE 15 1HG2 ILE 15 -15.629 8.994 -10.764 134 HG22 ILE 15 2HG2 ILE 15 -14.973 8.013 -12.074 135 HG23 ILE 15 3HG2 ILE 15 -16.597 7.696 -11.463 136 HD11 ILE 15 3HD1 ILE 15 -12.958 5.282 -11.735 137 HD12 ILE 15 1HD1 ILE 15 -12.215 5.177 -10.139 138 HD13 ILE 15 2HD1 ILE 15 -13.913 4.748 -10.352 139 H LEU 16 H LEU 16 -16.739 5.556 -8.070 140 HA LEU 16 HA LEU 16 -19.289 6.493 -8.756 141 HB2 LEU 16 1HB LEU 16 -18.593 4.115 -8.309 142 HB3 LEU 16 2HB LEU 16 -18.673 4.496 -6.590 143 HG LEU 16 HG LEU 16 -21.077 4.988 -6.837 144 HD11 LEU 16 1HD1 LEU 16 -20.433 4.997 -9.591 145 HD12 LEU 16 2HD1 LEU 16 -21.989 5.321 -8.827 146 HD13 LEU 16 3HD1 LEU 16 -21.570 3.678 -9.312 147 HD21 LEU 16 3HD2 LEU 16 -19.963 2.628 -6.454 148 HD22 LEU 16 1HD2 LEU 16 -20.723 2.277 -8.006 149 HD23 LEU 16 2HD2 LEU 16 -21.709 2.801 -6.641 150 H ASP 17 H ASP 17 -17.872 6.163 -5.497 151 HA ASP 17 HA ASP 17 -19.930 7.545 -4.168 152 HB2 ASP 17 1HB ASP 17 -18.101 6.030 -3.181 153 HB3 ASP 17 2HB ASP 17 -17.077 7.463 -3.205 154 H ASP 18 H ASP 18 -16.920 8.635 -5.632 155 HA ASP 18 HA ASP 18 -16.942 11.266 -4.622 156 HB2 ASP 18 1HB ASP 18 -15.643 9.937 -6.978 157 HB3 ASP 18 2HB ASP 18 -15.558 11.688 -6.799 158 H ALA 19 H ALA 19 -17.919 10.071 -7.840 159 HA ALA 19 HA ALA 19 -18.966 12.462 -8.805 160 HB1 ALA 19 1HB ALA 19 -18.565 10.636 -10.297 161 HB2 ALA 19 2HB ALA 19 -19.730 9.619 -9.448 162 HB3 ALA 19 3HB ALA 19 -20.284 11.025 -10.358 163 H LYS 20 H LYS 20 -20.563 9.859 -7.002 164 HA LYS 20 HA LYS 20 -23.158 10.977 -7.081 165 HB2 LYS 20 1HB LYS 20 -21.800 8.792 -5.643 166 HB3 LYS 20 2HB LYS 20 -23.168 9.496 -4.791 167 HG2 LYS 20 1HG LYS 20 -24.425 8.089 -5.968 168 HG3 LYS 20 2HG LYS 20 -24.141 9.166 -7.338 169 HD2 LYS 20 1HD LYS 20 -22.155 7.025 -6.700 170 HD3 LYS 20 2HD LYS 20 -23.645 6.609 -7.551 171 HE2 LYS 20 1HE LYS 20 -22.170 8.955 -8.570 172 HE3 LYS 20 2HE LYS 20 -21.384 7.392 -8.786 173 HZ1 LYS 20 3HZ LYS 20 -22.649 7.251 -10.602 174 HZ2 LYS 20 1HZ LYS 20 -23.702 8.478 -10.102 175 HZ3 LYS 20 2HZ LYS 20 -23.925 6.895 -9.550 176 H ALA 21 H ALA 21 -20.491 11.264 -4.783 177 HA ALA 21 HA ALA 21 -21.899 12.711 -2.807 178 HB1 ALA 21 1HB ALA 21 -19.476 13.490 -2.237 179 HB2 ALA 21 2HB ALA 21 -19.939 11.803 -2.010 180 HB3 ALA 21 3HB ALA 21 -19.013 12.279 -3.434 181 H GLU 22 H GLU 22 -19.678 13.817 -5.369 182 HA GLU 22 HA GLU 22 -19.828 16.541 -4.890 183 HB2 GLU 22 1HB GLU 22 -18.681 14.910 -6.823 184 HB3 GLU 22 2HB GLU 22 -19.784 15.930 -7.736 185 HG2 GLU 22 1HG GLU 22 -18.685 17.886 -7.115 186 HG3 GLU 22 2HG GLU 22 -17.866 17.106 -5.763 187 H ALA 23 H ALA 23 -21.995 14.477 -6.762 188 HA ALA 23 HA ALA 23 -23.644 16.677 -7.619 189 HB1 ALA 23 1HB ALA 23 -25.117 14.900 -8.518 190 HB2 ALA 23 2HB ALA 23 -23.445 14.764 -9.064 191 HB3 ALA 23 3HB ALA 23 -24.049 13.696 -7.797 192 H ASN 24 H ASN 24 -23.453 14.650 -4.862 193 HA ASN 24 HA ASN 24 -26.217 14.996 -4.082 194 HB2 ASN 24 1HB ASN 24 -23.841 13.580 -2.961 195 HB3 ASN 24 2HB ASN 24 -25.151 14.002 -1.862 196 HD21 ASN 24 2HD2 ASN 24 -24.290 11.381 -2.600 197 HD22 ASN 24 1HD2 ASN 24 -25.626 10.603 -3.371 198 H LYS 25 H LYS 25 -23.154 16.529 -3.518 199 HA LYS 25 HA LYS 25 -24.174 18.094 -1.286 200 HB2 LYS 25 1HB LYS 25 -21.487 18.149 -2.671 201 HB3 LYS 25 2HB LYS 25 -21.903 19.064 -1.228 202 HG2 LYS 25 1HG LYS 25 -21.766 16.067 -1.481 203 HG3 LYS 25 2HG LYS 25 -20.635 17.113 -0.618 204 HD2 LYS 25 1HD LYS 25 -23.053 17.800 0.485 205 HD3 LYS 25 2HD LYS 25 -23.234 16.065 0.211 206 HE2 LYS 25 1HE LYS 25 -20.876 17.312 1.615 207 HE3 LYS 25 2HE LYS 25 -22.299 16.691 2.450 208 HZ1 LYS 25 3HZ LYS 25 -20.835 14.961 0.573 209 HZ2 LYS 25 1HZ LYS 25 -21.787 14.531 1.904 210 HZ3 LYS 25 2HZ LYS 25 -20.244 15.181 2.143 211 H ILE 26 H ILE 26 -23.850 18.320 -4.688 212 HA ILE 26 HA ILE 26 -23.909 21.216 -4.758 213 HB ILE 26 HB ILE 26 -22.763 19.697 -6.486 214 HG12 ILE 26 1HG1 ILE 26 -23.350 21.279 -8.342 215 HG13 ILE 26 2HG1 ILE 26 -24.625 21.931 -7.319 216 HG21 ILE 26 1HG2 ILE 26 -25.389 19.669 -7.893 217 HG22 ILE 26 2HG2 ILE 26 -23.984 18.624 -8.104 218 HG23 ILE 26 3HG2 ILE 26 -25.039 18.411 -6.707 219 HD11 ILE 26 3HD1 ILE 26 -22.209 21.951 -5.836 220 HD12 ILE 26 1HD1 ILE 26 -21.896 22.657 -7.421 221 HD13 ILE 26 2HD1 ILE 26 -23.174 23.315 -6.399 222 H ILE 27 H ILE 27 -26.143 18.564 -4.902 223 HA ILE 27 HA ILE 27 -28.314 20.101 -5.998 224 HB ILE 27 HB ILE 27 -29.707 18.127 -5.382 225 HG12 ILE 27 1HG1 ILE 27 -27.684 16.218 -4.887 226 HG13 ILE 27 2HG1 ILE 27 -27.397 17.546 -3.768 227 HG21 ILE 27 1HG2 ILE 27 -27.344 18.058 -7.150 228 HG22 ILE 27 2HG2 ILE 27 -28.134 16.513 -6.836 229 HG23 ILE 27 3HG2 ILE 27 -29.053 17.849 -7.529 230 HD11 ILE 27 3HD1 ILE 27 -28.793 16.092 -2.610 231 HD12 ILE 27 1HD1 ILE 27 -29.876 17.354 -3.194 232 HD13 ILE 27 2HD1 ILE 27 -29.810 15.796 -4.019 233 H SER 28 H SER 28 -27.155 19.222 -2.816 234 HA SER 28 HA SER 28 -29.530 20.205 -1.485 235 HB2 SER 28 1HB SER 28 -27.243 18.598 -0.768 236 HB3 SER 28 2HB SER 28 -27.462 19.899 0.402 237 HG SER 28 HG SER 28 -29.778 19.171 0.328 238 H GLU 29 H GLU 29 -26.095 21.144 -1.620 239 HA GLU 29 HA GLU 29 -26.308 23.488 -0.121 240 HB2 GLU 29 1HB GLU 29 -24.402 22.719 -2.332 241 HB3 GLU 29 2HB GLU 29 -24.232 24.192 -1.388 242 HG2 GLU 29 1HG GLU 29 -23.969 22.907 0.640 243 HG3 GLU 29 2HG GLU 29 -24.242 21.408 -0.246 244 H ALA 30 H ALA 30 -27.306 22.793 -3.341 245 HA ALA 30 HA ALA 30 -27.425 25.563 -4.172 246 HB1 ALA 30 1HB ALA 30 -28.321 23.001 -5.474 247 HB2 ALA 30 2HB ALA 30 -28.558 24.593 -6.195 248 HB3 ALA 30 3HB ALA 30 -26.926 23.999 -5.887 249 H GLU 31 H GLU 31 -29.936 23.029 -4.050 250 HA GLU 31 HA GLU 31 -32.137 24.681 -4.143 251 HB2 GLU 31 1HB GLU 31 -31.942 22.111 -2.565 252 HB3 GLU 31 2HB GLU 31 -33.413 22.849 -3.183 253 HG2 GLU 31 1HG GLU 31 -31.446 22.379 -5.265 254 HG3 GLU 31 2HG GLU 31 -31.916 20.903 -4.423 255 H ALA 32 H ALA 32 -30.056 23.960 -1.443 256 HA ALA 32 HA ALA 32 -31.777 24.921 0.606 257 HB1 ALA 32 1HB ALA 32 -28.795 24.513 0.515 258 HB2 ALA 32 2HB ALA 32 -29.674 25.006 1.963 259 HB3 ALA 32 3HB ALA 32 -30.011 23.444 1.216 260 H GLU 33 H GLU 33 -28.691 26.367 -0.440 261 HA GLU 33 HA GLU 33 -29.117 28.878 0.638 262 HB2 GLU 33 1HB GLU 33 -27.311 27.709 -1.348 263 HB3 GLU 33 2HB GLU 33 -27.620 29.419 -1.611 264 HG2 GLU 33 1HG GLU 33 -26.887 28.456 1.113 265 HG3 GLU 33 2HG GLU 33 -25.638 28.658 -0.114 266 H LYS 34 H LYS 34 -29.982 27.664 -2.571 267 HA LYS 34 HA LYS 34 -30.868 30.049 -3.708 268 HB2 LYS 34 1HB LYS 34 -30.599 28.136 -5.105 269 HB3 LYS 34 2HB LYS 34 -31.728 27.191 -4.143 270 HG2 LYS 34 1HG LYS 34 -33.542 28.723 -4.862 271 HG3 LYS 34 2HG LYS 34 -32.384 29.527 -5.924 272 HD2 LYS 34 1HD LYS 34 -33.114 28.046 -7.453 273 HD3 LYS 34 2HD LYS 34 -32.022 26.931 -6.629 274 HE2 LYS 34 1HE LYS 34 -33.769 25.629 -6.199 275 HE3 LYS 34 2HE LYS 34 -34.404 26.899 -5.154 276 HZ1 LYS 34 3HZ LYS 34 -35.847 26.019 -7.077 277 HZ2 LYS 34 1HZ LYS 34 -34.880 27.000 -8.059 278 HZ3 LYS 34 2HZ LYS 34 -35.784 27.687 -6.805 279 H ALA 35 H ALA 35 -32.925 27.503 -2.280 280 HA ALA 35 HA ALA 35 -35.288 28.986 -2.256 281 HB1 ALA 35 1HB ALA 35 -34.456 26.760 -0.397 282 HB2 ALA 35 2HB ALA 35 -36.104 27.347 -0.628 283 HB3 ALA 35 3HB ALA 35 -35.249 26.570 -1.961 284 H LYS 36 H LYS 36 -32.504 29.283 -0.311 285 HA LYS 36 HA LYS 36 -33.841 30.480 1.953 286 HB2 LYS 36 1HB LYS 36 -31.613 29.150 1.942 287 HB3 LYS 36 2HB LYS 36 -30.892 30.664 1.410 288 HG2 LYS 36 1HG LYS 36 -31.288 31.717 3.415 289 HG3 LYS 36 2HG LYS 36 -32.621 30.640 3.839 290 HD2 LYS 36 1HD LYS 36 -30.858 30.015 5.262 291 HD3 LYS 36 2HD LYS 36 -30.865 28.796 3.985 292 HE2 LYS 36 1HE LYS 36 -29.131 30.304 2.829 293 HE3 LYS 36 2HE LYS 36 -28.961 31.076 4.405 294 HZ1 LYS 36 3HZ LYS 36 -28.494 28.212 3.781 295 HZ2 LYS 36 1HZ LYS 36 -28.450 28.871 5.338 296 HZ3 LYS 36 2HZ LYS 36 -27.322 29.364 4.179 297 H ILE 37 H ILE 37 -31.570 31.635 -0.542 298 HA ILE 37 HA ILE 37 -31.879 34.376 0.170 299 HB ILE 37 HB ILE 37 -30.730 34.824 -2.009 300 HG12 ILE 37 1HG1 ILE 37 -30.005 32.003 -2.372 301 HG13 ILE 37 2HG1 ILE 37 -31.693 32.352 -2.728 302 HG21 ILE 37 1HG2 ILE 37 -29.619 33.025 0.095 303 HG22 ILE 37 2HG2 ILE 37 -28.630 33.438 -1.305 304 HG23 ILE 37 3HG2 ILE 37 -29.246 34.713 -0.255 305 HD11 ILE 37 3HD1 ILE 37 -29.241 33.490 -4.020 306 HD12 ILE 37 1HD1 ILE 37 -30.559 32.582 -4.760 307 HD13 ILE 37 2HD1 ILE 37 -30.831 34.231 -4.197 308 H LEU 38 H LEU 38 -33.505 32.218 -2.035 309 HA LEU 38 HA LEU 38 -34.772 34.172 -3.639 310 HB2 LEU 38 1HB LEU 38 -35.085 31.278 -3.130 311 HB3 LEU 38 2HB LEU 38 -36.495 32.117 -3.776 312 HG LEU 38 HG LEU 38 -35.159 31.052 -5.534 313 HD11 LEU 38 1HD1 LEU 38 -35.846 33.867 -5.404 314 HD12 LEU 38 2HD1 LEU 38 -36.107 32.696 -6.696 315 HD13 LEU 38 3HD1 LEU 38 -34.564 33.539 -6.571 316 HD21 LEU 38 3HD2 LEU 38 -32.993 32.760 -4.366 317 HD22 LEU 38 1HD2 LEU 38 -32.949 32.274 -6.061 318 HD23 LEU 38 2HD2 LEU 38 -32.957 31.049 -4.793 319 H GLU 39 H GLU 39 -35.631 32.624 -0.598 320 HA GLU 39 HA GLU 39 -38.203 33.989 -0.529 321 HB2 GLU 39 1HB GLU 39 -38.692 32.682 1.406 322 HB3 GLU 39 2HB GLU 39 -37.926 31.612 0.239 323 HG2 GLU 39 1HG GLU 39 -35.784 31.910 1.446 324 HG3 GLU 39 2HG GLU 39 -36.644 32.854 2.660 325 H LYS 40 H LYS 40 -35.013 34.219 0.841 326 HA LYS 40 HA LYS 40 -35.738 36.049 2.931 327 HB2 LYS 40 1HB LYS 40 -33.131 35.081 1.790 328 HB3 LYS 40 2HB LYS 40 -33.172 36.406 2.947 329 HG2 LYS 40 1HG LYS 40 -34.713 34.067 3.777 330 HG3 LYS 40 2HG LYS 40 -32.986 33.760 3.576 331 HD2 LYS 40 1HD LYS 40 -33.753 36.229 5.023 332 HD3 LYS 40 2HD LYS 40 -34.042 34.695 5.849 333 HE2 LYS 40 1HE LYS 40 -31.904 34.999 6.523 334 HE3 LYS 40 2HE LYS 40 -31.550 34.258 4.964 335 HZ1 LYS 40 3HZ LYS 40 -31.864 36.953 4.467 336 HZ2 LYS 40 1HZ LYS 40 -30.414 36.080 4.477 337 HZ3 LYS 40 2HZ LYS 40 -30.936 36.869 5.879 338 H ALA 41 H ALA 41 -34.144 36.341 -0.230 339 HA ALA 41 HA ALA 41 -33.834 39.163 -0.095 340 HB1 ALA 41 1HB ALA 41 -33.930 37.490 -2.596 341 HB2 ALA 41 2HB ALA 41 -33.134 39.047 -2.366 342 HB3 ALA 41 3HB ALA 41 -32.511 37.610 -1.555 343 H LYS 42 H LYS 42 -36.110 37.110 -1.919 344 HA LYS 42 HA LYS 42 -37.633 39.131 -3.058 345 HB2 LYS 42 1HB LYS 42 -37.851 36.791 -3.713 346 HB3 LYS 42 2HB LYS 42 -38.518 36.390 -2.135 347 HG2 LYS 42 1HG LYS 42 -40.569 37.061 -2.703 348 HG3 LYS 42 2HG LYS 42 -39.974 38.511 -3.516 349 HD2 LYS 42 1HD LYS 42 -39.617 35.811 -4.763 350 HD3 LYS 42 2HD LYS 42 -41.151 36.671 -4.912 351 HE2 LYS 42 1HE LYS 42 -40.271 38.285 -6.258 352 HE3 LYS 42 2HE LYS 42 -38.675 38.185 -5.517 353 HZ1 LYS 42 3HZ LYS 42 -38.989 37.318 -7.897 354 HZ2 LYS 42 1HZ LYS 42 -39.697 35.966 -7.167 355 HZ3 LYS 42 2HZ LYS 42 -38.096 36.377 -6.812 356 H GLU 43 H GLU 43 -37.627 37.900 0.196 357 HA GLU 43 HA GLU 43 -40.114 39.219 0.893 358 HB2 GLU 43 1HB GLU 43 -39.703 37.132 1.987 359 HB3 GLU 43 2HB GLU 43 -38.101 37.645 2.497 360 HG2 GLU 43 1HG GLU 43 -38.897 38.913 4.216 361 HG3 GLU 43 2HG GLU 43 -40.437 39.227 3.419 362 H GLU 44 H GLU 44 -36.788 39.400 2.182 363 HA GLU 44 HA GLU 44 -37.064 41.708 3.662 364 HB2 GLU 44 1HB GLU 44 -34.692 41.890 3.647 365 HB3 GLU 44 2HB GLU 44 -35.065 40.173 3.584 366 HG2 GLU 44 1HG GLU 44 -34.835 40.470 1.023 367 HG3 GLU 44 2HG GLU 44 -33.972 41.947 1.447 368 H ALA 45 H ALA 45 -36.515 41.359 0.210 369 HA ALA 45 HA ALA 45 -36.034 44.142 -0.258 370 HB1 ALA 45 1HB ALA 45 -36.140 43.574 -2.612 371 HB2 ALA 45 2HB ALA 45 -35.161 42.390 -1.744 372 HB3 ALA 45 3HB ALA 45 -36.811 41.990 -2.222 373 H GLU 46 H GLU 46 -38.831 41.994 -0.532 374 HA GLU 46 HA GLU 46 -40.583 43.831 -1.742 375 HB2 GLU 46 1HB GLU 46 -40.848 41.265 -0.288 376 HB3 GLU 46 2HB GLU 46 -42.284 42.277 -0.335 377 HG2 GLU 46 1HG GLU 46 -40.788 41.701 -2.851 378 HG3 GLU 46 2HG GLU 46 -41.886 40.498 -2.179 379 H LYS 47 H LYS 47 -39.887 43.125 1.652 380 HA LYS 47 HA LYS 47 -41.837 45.007 2.623 381 HB2 LYS 47 1HB LYS 47 -40.023 43.018 3.764 382 HB3 LYS 47 2HB LYS 47 -40.130 44.483 4.732 383 HG2 LYS 47 1HG LYS 47 -42.066 43.819 5.564 384 HG3 LYS 47 2HG LYS 47 -42.757 43.720 3.943 385 HD2 LYS 47 1HD LYS 47 -42.949 41.577 5.061 386 HD3 LYS 47 2HD LYS 47 -41.822 41.453 3.708 387 HE2 LYS 47 1HE LYS 47 -39.987 41.248 5.082 388 HE3 LYS 47 2HE LYS 47 -40.765 42.086 6.423 389 HZ1 LYS 47 3HZ LYS 47 -40.425 39.528 6.504 390 HZ2 LYS 47 1HZ LYS 47 -41.821 39.488 5.550 391 HZ3 LYS 47 2HZ LYS 47 -41.864 40.203 7.082 392 H ARG 48 H ARG 48 -38.280 44.849 2.904 393 HA ARG 48 HA ARG 48 -38.035 47.549 3.740 394 HB2 ARG 48 1HB ARG 48 -36.390 45.556 4.031 395 HB3 ARG 48 2HB ARG 48 -35.805 46.018 2.439 396 HG2 ARG 48 1HG ARG 48 -35.111 48.144 3.208 397 HG3 ARG 48 2HG ARG 48 -35.968 47.945 4.737 398 HD2 ARG 48 1HD ARG 48 -34.303 45.758 4.671 399 HD3 ARG 48 2HD ARG 48 -33.320 47.024 3.936 400 HE ARG 48 HE ARG 48 -34.318 48.215 6.153 401 HH11 ARG 48 1HH1 ARG 48 -32.610 45.235 5.590 402 HH12 ARG 48 2HH1 ARG 48 -31.846 45.227 7.145 403 HH21 ARG 48 1HH2 ARG 48 -33.318 48.217 8.203 404 HH22 ARG 48 2HH2 ARG 48 -32.250 46.923 8.631 405 H LYS 49 H LYS 49 -39.126 48.834 2.239 406 HA LYS 49 HA LYS 49 -38.888 48.808 -0.514 407 HB2 LYS 49 1HB LYS 49 -39.726 51.049 -0.501 408 HB3 LYS 49 2HB LYS 49 -40.486 50.193 0.834 409 HG2 LYS 49 1HG LYS 49 -38.690 51.201 2.313 410 HG3 LYS 49 2HG LYS 49 -38.301 52.248 0.946 411 HD2 LYS 49 1HD LYS 49 -40.998 52.535 1.076 412 HD3 LYS 49 2HD LYS 49 -40.599 52.301 2.780 413 HE2 LYS 49 1HE LYS 49 -38.782 54.070 2.391 414 HE3 LYS 49 2HE LYS 49 -39.648 54.440 0.901 415 HZ1 LYS 49 3HZ LYS 49 -41.410 54.301 3.136 416 HZ2 LYS 49 1HZ LYS 49 -41.181 55.557 2.026 417 HZ3 LYS 49 2HZ LYS 49 -40.188 55.443 3.390 418 H ALA 50 H ALA 50 -37.518 49.717 -2.001 419 HA ALA 50 HA ALA 50 -35.230 51.269 -1.079 420 HB1 ALA 50 1HB ALA 50 -34.121 49.269 -0.908 421 HB2 ALA 50 2HB ALA 50 -35.054 48.514 -2.201 422 HB3 ALA 50 3HB ALA 50 -33.792 49.682 -2.592 423 H GLU 51 H GLU 51 -36.786 49.700 -3.866 424 HA GLU 51 HA GLU 51 -36.066 52.057 -5.481 425 HB2 GLU 51 1HB GLU 51 -36.302 50.549 -7.458 426 HB3 GLU 51 2HB GLU 51 -34.985 50.113 -6.379 427 HG2 GLU 51 1HG GLU 51 -36.048 48.215 -5.625 428 HG3 GLU 51 2HG GLU 51 -37.649 48.813 -6.057 429 H ILE 52 H ILE 52 -38.382 51.798 -3.746 430 HA ILE 52 HA ILE 52 -40.520 51.903 -5.774 431 HB ILE 52 HB ILE 52 -40.797 51.167 -2.858 432 HG12 ILE 52 1HG1 ILE 52 -41.267 49.421 -5.277 433 HG13 ILE 52 2HG1 ILE 52 -39.736 49.457 -4.408 434 HG21 ILE 52 1HG2 ILE 52 -42.844 52.064 -3.247 435 HG22 ILE 52 2HG2 ILE 52 -42.746 51.813 -4.989 436 HG23 ILE 52 3HG2 ILE 52 -43.136 50.462 -3.925 437 HD11 ILE 52 3HD1 ILE 52 -42.363 48.347 -3.585 438 HD12 ILE 52 1HD1 ILE 52 -40.743 47.671 -3.418 439 HD13 ILE 52 2HD1 ILE 52 -41.276 48.963 -2.341 Start of MODEL 12 1 H1 MET 1 H MET 1 -11.852 1.789 3.939 2 HA MET 1 HA MET 1 -12.792 -0.766 4.545 3 HB2 MET 1 1HB MET 1 -15.014 -0.711 3.444 4 HB3 MET 1 2HB MET 1 -14.957 0.238 4.924 5 HG2 MET 1 1HG MET 1 -15.056 2.252 3.792 6 HG3 MET 1 2HG MET 1 -14.497 1.543 2.278 7 HE1 MET 1 3HE MET 1 -15.635 0.335 0.738 8 HE2 MET 1 1HE MET 1 -17.377 0.141 0.546 9 HE3 MET 1 2HE MET 1 -16.634 1.720 0.295 10 H ALA 2 H ALA 2 -13.453 -1.977 2.464 11 HA ALA 2 HA ALA 2 -12.721 -2.748 0.445 12 HB1 ALA 2 1HB ALA 2 -12.930 -1.185 -1.417 13 HB2 ALA 2 2HB ALA 2 -14.291 -1.036 -0.305 14 HB3 ALA 2 3HB ALA 2 -12.999 0.165 -0.284 15 H VAL 3 H VAL 3 -10.621 -3.220 1.438 16 HA VAL 3 HA VAL 3 -8.490 -1.851 -0.007 17 HB VAL 3 HB VAL 3 -8.294 -2.298 2.972 18 HG11 VAL 3 1HG1 VAL 3 -6.436 -1.243 0.880 19 HG12 VAL 3 2HG1 VAL 3 -6.296 -0.694 2.551 20 HG13 VAL 3 3HG1 VAL 3 -6.127 -2.407 2.168 21 HG21 VAL 3 3HG2 VAL 3 -8.429 0.121 3.210 22 HG22 VAL 3 1HG2 VAL 3 -8.662 0.293 1.470 23 HG23 VAL 3 2HG2 VAL 3 -9.891 -0.508 2.450 24 H LYS 4 H LYS 4 -9.414 -4.480 2.172 25 HA LYS 4 HA LYS 4 -7.188 -6.104 1.962 26 HB2 LYS 4 1HB LYS 4 -10.024 -6.481 2.619 27 HB3 LYS 4 2HB LYS 4 -9.239 -7.925 1.993 28 HG2 LYS 4 1HG LYS 4 -8.298 -8.298 3.958 29 HG3 LYS 4 2HG LYS 4 -7.525 -6.711 3.919 30 HD2 LYS 4 1HD LYS 4 -10.408 -6.844 4.633 31 HD3 LYS 4 2HD LYS 4 -9.233 -7.394 5.830 32 HE2 LYS 4 1HE LYS 4 -8.031 -5.173 5.373 33 HE3 LYS 4 2HE LYS 4 -9.532 -4.673 4.596 34 HZ1 LYS 4 3HZ LYS 4 -10.373 -5.689 6.959 35 HZ2 LYS 4 1HZ LYS 4 -10.136 -4.046 6.633 36 HZ3 LYS 4 2HZ LYS 4 -8.918 -4.941 7.390 37 H LEU 5 H LEU 5 -9.927 -5.797 -0.248 38 HA LEU 5 HA LEU 5 -9.306 -7.926 -1.957 39 HB2 LEU 5 1HB LEU 5 -10.767 -5.338 -2.361 40 HB3 LEU 5 2HB LEU 5 -10.544 -6.484 -3.681 41 HG LEU 5 HG LEU 5 -11.986 -7.062 -1.094 42 HD11 LEU 5 1HD1 LEU 5 -13.281 -5.518 -2.377 43 HD12 LEU 5 2HD1 LEU 5 -13.992 -7.119 -2.571 44 HD13 LEU 5 3HD1 LEU 5 -13.002 -6.432 -3.859 45 HD21 LEU 5 3HD2 LEU 5 -12.745 -9.081 -2.374 46 HD22 LEU 5 1HD2 LEU 5 -11.038 -9.077 -1.933 47 HD23 LEU 5 2HD2 LEU 5 -11.522 -8.692 -3.584 48 H MET 6 H MET 6 -8.878 -7.276 -4.440 49 HA MET 6 HA MET 6 -6.145 -6.701 -4.615 50 HB2 MET 6 1HB MET 6 -8.367 -6.914 -6.606 51 HB3 MET 6 2HB MET 6 -6.802 -6.307 -7.130 52 HG2 MET 6 1HG MET 6 -7.068 -8.898 -5.651 53 HG3 MET 6 2HG MET 6 -7.274 -8.797 -7.398 54 HE1 MET 6 3HE MET 6 -4.645 -7.489 -8.908 55 HE2 MET 6 1HE MET 6 -4.109 -9.168 -8.827 56 HE3 MET 6 2HE MET 6 -5.828 -8.797 -8.957 57 H GLY 7 H GLY 7 -8.941 -4.629 -4.702 58 HA2 GLY 7 1HA GLY 7 -8.308 -2.291 -3.975 59 HA3 GLY 7 2HA GLY 7 -7.193 -2.334 -5.333 60 H VAL 8 H VAL 8 -9.397 -3.956 -6.764 61 HA VAL 8 HA VAL 8 -10.395 -1.928 -8.367 62 HB VAL 8 HB VAL 8 -11.681 -4.610 -7.833 63 HG11 VAL 8 1HG1 VAL 8 -13.333 -3.590 -9.011 64 HG12 VAL 8 2HG1 VAL 8 -12.235 -2.428 -9.759 65 HG13 VAL 8 3HG1 VAL 8 -12.318 -4.083 -10.366 66 HG21 VAL 8 3HG2 VAL 8 -10.477 -5.169 -10.018 67 HG22 VAL 8 1HG2 VAL 8 -9.504 -3.732 -9.705 68 HG23 VAL 8 2HG2 VAL 8 -9.497 -5.069 -8.555 69 H ASP 9 H ASP 9 -11.658 -3.244 -5.378 70 HA ASP 9 HA ASP 9 -14.240 -2.081 -5.545 71 HB2 ASP 9 1HB ASP 9 -12.616 -3.414 -3.456 72 HB3 ASP 9 2HB ASP 9 -13.882 -2.333 -2.880 73 H LYS 10 H LYS 10 -11.128 -0.897 -4.546 74 HA LYS 10 HA LYS 10 -12.130 1.401 -3.150 75 HB2 LYS 10 1HB LYS 10 -9.684 0.108 -3.311 76 HB3 LYS 10 2HB LYS 10 -9.401 1.621 -4.162 77 HG2 LYS 10 1HG LYS 10 -10.089 2.891 -2.241 78 HG3 LYS 10 2HG LYS 10 -10.556 1.417 -1.389 79 HD2 LYS 10 1HD LYS 10 -8.392 0.821 -0.952 80 HD3 LYS 10 2HD LYS 10 -7.765 1.625 -2.393 81 HE2 LYS 10 1HE LYS 10 -8.791 3.694 -0.869 82 HE3 LYS 10 2HE LYS 10 -8.057 2.621 0.321 83 HZ1 LYS 10 3HZ LYS 10 -6.745 4.466 -1.188 84 HZ2 LYS 10 1HZ LYS 10 -6.400 3.011 -1.981 85 HZ3 LYS 10 2HZ LYS 10 -6.026 3.190 -0.341 86 H ILE 11 H ILE 11 -10.534 0.905 -6.296 87 HA ILE 11 HA ILE 11 -10.776 3.593 -7.141 88 HB ILE 11 HB ILE 11 -10.328 2.711 -9.417 89 HG12 ILE 11 1HG1 ILE 11 -9.621 0.141 -9.234 90 HG13 ILE 11 2HG1 ILE 11 -10.890 0.145 -8.014 91 HG21 ILE 11 1HG2 ILE 11 -8.663 2.664 -7.146 92 HG22 ILE 11 2HG2 ILE 11 -8.269 1.233 -8.098 93 HG23 ILE 11 3HG2 ILE 11 -8.190 2.832 -8.836 94 HD11 ILE 11 3HD1 ILE 11 -11.809 1.493 -10.361 95 HD12 ILE 11 1HD1 ILE 11 -11.165 -0.092 -10.790 96 HD13 ILE 11 2HD1 ILE 11 -12.443 0.044 -9.581 97 H LYS 12 H LYS 12 -12.831 0.757 -7.523 98 HA LYS 12 HA LYS 12 -14.655 1.971 -9.344 99 HB2 LYS 12 1HB LYS 12 -14.538 -0.417 -9.291 100 HB3 LYS 12 2HB LYS 12 -14.858 -0.457 -7.562 101 HG2 LYS 12 1HG LYS 12 -16.918 0.797 -9.272 102 HG3 LYS 12 2HG LYS 12 -16.724 -0.953 -9.396 103 HD2 LYS 12 1HD LYS 12 -16.800 0.156 -6.661 104 HD3 LYS 12 2HD LYS 12 -18.306 0.250 -7.578 105 HE2 LYS 12 1HE LYS 12 -16.683 -2.251 -7.112 106 HE3 LYS 12 2HE LYS 12 -18.157 -1.811 -6.250 107 HZ1 LYS 12 3HZ LYS 12 -19.252 -2.876 -7.840 108 HZ2 LYS 12 1HZ LYS 12 -17.863 -3.056 -8.790 109 HZ3 LYS 12 2HZ LYS 12 -18.798 -1.652 -8.917 110 H SER 13 H SER 13 -14.311 1.948 -5.892 111 HA SER 13 HA SER 13 -16.989 3.014 -5.470 112 HB2 SER 13 1HB SER 13 -14.755 2.285 -3.568 113 HB3 SER 13 2HB SER 13 -16.272 3.015 -3.044 114 HG SER 13 HG SER 13 -17.023 1.062 -3.045 115 H LYS 14 H LYS 14 -13.721 4.094 -5.769 116 HA LYS 14 HA LYS 14 -13.878 6.545 -4.406 117 HB2 LYS 14 1HB LYS 14 -11.863 5.250 -5.548 118 HB3 LYS 14 2HB LYS 14 -12.238 6.325 -6.889 119 HG2 LYS 14 1HG LYS 14 -11.455 7.111 -4.092 120 HG3 LYS 14 2HG LYS 14 -10.511 7.318 -5.569 121 HD2 LYS 14 1HD LYS 14 -13.157 8.645 -4.977 122 HD3 LYS 14 2HD LYS 14 -11.573 9.415 -4.852 123 HE2 LYS 14 1HE LYS 14 -11.862 8.177 -7.424 124 HE3 LYS 14 2HE LYS 14 -13.236 9.237 -7.113 125 HZ1 LYS 14 3HZ LYS 14 -11.357 10.372 -8.194 126 HZ2 LYS 14 1HZ LYS 14 -10.394 10.051 -6.841 127 HZ3 LYS 14 2HZ LYS 14 -11.749 11.052 -6.696 128 H ILE 15 H ILE 15 -13.865 6.141 -7.950 129 HA ILE 15 HA ILE 15 -14.835 8.688 -8.537 130 HB ILE 15 HB ILE 15 -15.323 6.231 -10.218 131 HG12 ILE 15 1HG1 ILE 15 -13.036 7.659 -11.100 132 HG13 ILE 15 2HG1 ILE 15 -12.838 7.383 -9.373 133 HG21 ILE 15 1HG2 ILE 15 -16.381 8.541 -10.722 134 HG22 ILE 15 2HG2 ILE 15 -14.752 8.988 -11.226 135 HG23 ILE 15 3HG2 ILE 15 -15.587 7.656 -12.025 136 HD11 ILE 15 3HD1 ILE 15 -13.678 4.942 -10.229 137 HD12 ILE 15 1HD1 ILE 15 -12.728 5.505 -11.604 138 HD13 ILE 15 2HD1 ILE 15 -11.995 5.418 -10.002 139 H LEU 16 H LEU 16 -16.562 5.656 -7.983 140 HA LEU 16 HA LEU 16 -19.126 6.537 -8.709 141 HB2 LEU 16 1HB LEU 16 -18.027 4.332 -7.054 142 HB3 LEU 16 2HB LEU 16 -19.738 4.712 -6.875 143 HG LEU 16 HG LEU 16 -19.177 2.852 -8.479 144 HD11 LEU 16 1HD1 LEU 16 -21.308 3.503 -8.851 145 HD12 LEU 16 2HD1 LEU 16 -20.618 4.099 -10.360 146 HD13 LEU 16 3HD1 LEU 16 -20.878 5.206 -9.012 147 HD21 LEU 16 3HD2 LEU 16 -18.084 3.220 -10.456 148 HD22 LEU 16 1HD2 LEU 16 -17.216 4.341 -9.406 149 HD23 LEU 16 2HD2 LEU 16 -18.478 4.939 -10.484 150 H ASP 17 H ASP 17 -17.774 6.165 -5.426 151 HA ASP 17 HA ASP 17 -19.877 7.480 -4.111 152 HB2 ASP 17 1HB ASP 17 -18.009 5.993 -3.132 153 HB3 ASP 17 2HB ASP 17 -17.046 7.468 -3.090 154 H ASP 18 H ASP 18 -16.883 8.671 -5.521 155 HA ASP 18 HA ASP 18 -16.993 11.284 -4.460 156 HB2 ASP 18 1HB ASP 18 -14.977 10.240 -5.506 157 HB3 ASP 18 2HB ASP 18 -15.751 10.420 -7.078 158 H ALA 19 H ALA 19 -17.831 10.131 -7.732 159 HA ALA 19 HA ALA 19 -18.912 12.490 -8.705 160 HB1 ALA 19 1HB ALA 19 -19.772 11.250 -10.465 161 HB2 ALA 19 2HB ALA 19 -18.437 10.246 -9.897 162 HB3 ALA 19 3HB ALA 19 -20.095 9.844 -9.450 163 H LYS 20 H LYS 20 -20.627 9.791 -7.131 164 HA LYS 20 HA LYS 20 -23.181 10.935 -7.186 165 HB2 LYS 20 1HB LYS 20 -21.960 8.952 -5.262 166 HB3 LYS 20 2HB LYS 20 -23.669 9.363 -5.287 167 HG2 LYS 20 1HG LYS 20 -22.109 8.099 -7.531 168 HG3 LYS 20 2HG LYS 20 -23.272 7.294 -6.475 169 HD2 LYS 20 1HD LYS 20 -24.788 7.777 -8.047 170 HD3 LYS 20 2HD LYS 20 -24.701 9.434 -7.444 171 HE2 LYS 20 1HE LYS 20 -22.751 9.724 -9.077 172 HE3 LYS 20 2HE LYS 20 -23.303 8.218 -9.808 173 HZ1 LYS 20 3HZ LYS 20 -24.332 10.826 -10.139 174 HZ2 LYS 20 1HZ LYS 20 -25.541 9.820 -9.516 175 HZ3 LYS 20 2HZ LYS 20 -24.756 9.407 -10.955 176 H ALA 21 H ALA 21 -20.573 11.194 -4.823 177 HA ALA 21 HA ALA 21 -22.030 12.581 -2.843 178 HB1 ALA 21 1HB ALA 21 -19.085 12.437 -3.440 179 HB2 ALA 21 2HB ALA 21 -19.749 13.296 -2.050 180 HB3 ALA 21 3HB ALA 21 -19.990 11.556 -2.209 181 H GLU 22 H GLU 22 -19.811 13.772 -5.367 182 HA GLU 22 HA GLU 22 -20.028 16.488 -4.823 183 HB2 GLU 22 1HB GLU 22 -18.746 14.946 -6.720 184 HB3 GLU 22 2HB GLU 22 -19.879 15.887 -7.680 185 HG2 GLU 22 1HG GLU 22 -18.745 17.790 -7.383 186 HG3 GLU 22 2HG GLU 22 -18.414 17.446 -5.686 187 H ALA 23 H ALA 23 -22.113 14.387 -6.729 188 HA ALA 23 HA ALA 23 -23.774 16.554 -7.651 189 HB1 ALA 23 1HB ALA 23 -24.597 13.680 -7.744 190 HB2 ALA 23 2HB ALA 23 -24.931 14.979 -8.890 191 HB3 ALA 23 3HB ALA 23 -23.316 14.276 -8.800 192 H ASN 24 H ASN 24 -23.621 14.539 -4.876 193 HA ASN 24 HA ASN 24 -26.404 14.872 -4.158 194 HB2 ASN 24 1HB ASN 24 -24.085 13.371 -3.115 195 HB3 ASN 24 2HB ASN 24 -25.218 13.941 -1.893 196 HD21 ASN 24 2HD2 ASN 24 -24.521 11.250 -3.119 197 HD22 ASN 24 1HD2 ASN 24 -26.058 10.565 -3.508 198 H LYS 25 H LYS 25 -23.370 16.436 -3.552 199 HA LYS 25 HA LYS 25 -24.433 17.992 -1.332 200 HB2 LYS 25 1HB LYS 25 -21.731 18.065 -2.688 201 HB3 LYS 25 2HB LYS 25 -22.171 18.996 -1.262 202 HG2 LYS 25 1HG LYS 25 -21.996 15.998 -1.475 203 HG3 LYS 25 2HG LYS 25 -20.896 17.070 -0.604 204 HD2 LYS 25 1HD LYS 25 -23.347 17.733 0.445 205 HD3 LYS 25 2HD LYS 25 -23.491 15.992 0.193 206 HE2 LYS 25 1HE LYS 25 -21.934 15.502 1.763 207 HE3 LYS 25 2HE LYS 25 -20.969 16.933 1.407 208 HZ1 LYS 25 3HZ LYS 25 -23.226 17.974 2.466 209 HZ2 LYS 25 1HZ LYS 25 -21.790 17.702 3.317 210 HZ3 LYS 25 2HZ LYS 25 -23.035 16.558 3.371 211 H ILE 26 H ILE 26 -24.075 18.218 -4.730 212 HA ILE 26 HA ILE 26 -24.178 21.114 -4.800 213 HB ILE 26 HB ILE 26 -22.974 19.616 -6.508 214 HG12 ILE 26 1HG1 ILE 26 -23.551 21.193 -8.371 215 HG13 ILE 26 2HG1 ILE 26 -24.854 21.823 -7.369 216 HG21 ILE 26 1HG2 ILE 26 -25.572 19.551 -7.964 217 HG22 ILE 26 2HG2 ILE 26 -24.149 18.529 -8.152 218 HG23 ILE 26 3HG2 ILE 26 -25.226 18.296 -6.775 219 HD11 ILE 26 3HD1 ILE 26 -22.465 21.875 -5.844 220 HD12 ILE 26 1HD1 ILE 26 -22.136 22.591 -7.422 221 HD13 ILE 26 2HD1 ILE 26 -23.441 23.226 -6.419 222 H ILE 27 H ILE 27 -26.360 18.422 -4.980 223 HA ILE 27 HA ILE 27 -28.539 19.913 -6.123 224 HB ILE 27 HB ILE 27 -29.907 17.919 -5.510 225 HG12 ILE 27 1HG1 ILE 27 -27.843 16.059 -4.973 226 HG13 ILE 27 2HG1 ILE 27 -27.621 17.396 -3.851 227 HG21 ILE 27 1HG2 ILE 27 -28.255 16.329 -6.924 228 HG22 ILE 27 2HG2 ILE 27 -29.233 17.609 -7.639 229 HG23 ILE 27 3HG2 ILE 27 -27.536 17.904 -7.258 230 HD11 ILE 27 3HD1 ILE 27 -29.017 15.608 -2.931 231 HD12 ILE 27 1HD1 ILE 27 -29.883 17.140 -3.050 232 HD13 ILE 27 2HD1 ILE 27 -30.181 15.864 -4.231 233 H SER 28 H SER 28 -27.417 19.088 -2.914 234 HA SER 28 HA SER 28 -29.834 20.042 -1.636 235 HB2 SER 28 1HB SER 28 -27.370 18.655 -0.789 236 HB3 SER 28 2HB SER 28 -28.042 19.773 0.397 237 HG SER 28 HG SER 28 -29.120 17.940 0.789 238 H GLU 29 H GLU 29 -26.416 21.034 -1.757 239 HA GLU 29 HA GLU 29 -26.684 23.384 -0.264 240 HB2 GLU 29 1HB GLU 29 -24.727 22.610 -2.426 241 HB3 GLU 29 2HB GLU 29 -24.595 24.104 -1.509 242 HG2 GLU 29 1HG GLU 29 -24.861 21.626 0.067 243 HG3 GLU 29 2HG GLU 29 -23.357 21.832 -0.829 244 H ALA 30 H ALA 30 -27.639 22.645 -3.480 245 HA ALA 30 HA ALA 30 -27.763 25.403 -4.351 246 HB1 ALA 30 1HB ALA 30 -28.642 22.824 -5.632 247 HB2 ALA 30 2HB ALA 30 -28.852 24.409 -6.378 248 HB3 ALA 30 3HB ALA 30 -27.232 23.805 -6.033 249 H GLU 31 H GLU 31 -30.260 22.856 -4.233 250 HA GLU 31 HA GLU 31 -32.470 24.491 -4.371 251 HB2 GLU 31 1HB GLU 31 -33.758 22.664 -3.587 252 HB3 GLU 31 2HB GLU 31 -32.400 21.959 -4.452 253 HG2 GLU 31 1HG GLU 31 -32.395 20.645 -2.604 254 HG3 GLU 31 2HG GLU 31 -31.326 21.931 -2.046 255 H ALA 32 H ALA 32 -30.432 23.795 -1.626 256 HA ALA 32 HA ALA 32 -32.180 24.783 0.383 257 HB1 ALA 32 1HB ALA 32 -29.197 24.373 0.335 258 HB2 ALA 32 2HB ALA 32 -30.089 24.896 1.765 259 HB3 ALA 32 3HB ALA 32 -30.423 23.321 1.044 260 H GLU 33 H GLU 33 -29.085 26.225 -0.641 261 HA GLU 33 HA GLU 33 -29.531 28.747 0.402 262 HB2 GLU 33 1HB GLU 33 -27.755 27.626 -1.690 263 HB3 GLU 33 2HB GLU 33 -27.973 29.370 -1.704 264 HG2 GLU 33 1HG GLU 33 -27.501 28.575 0.974 265 HG3 GLU 33 2HG GLU 33 -26.290 27.805 -0.049 266 H LYS 34 H LYS 34 -30.595 27.375 -2.638 267 HA LYS 34 HA LYS 34 -31.377 29.753 -3.921 268 HB2 LYS 34 1HB LYS 34 -31.202 27.779 -5.235 269 HB3 LYS 34 2HB LYS 34 -32.308 26.899 -4.189 270 HG2 LYS 34 1HG LYS 34 -34.133 28.395 -4.920 271 HG3 LYS 34 2HG LYS 34 -33.007 29.172 -6.036 272 HD2 LYS 34 1HD LYS 34 -32.984 27.397 -7.461 273 HD3 LYS 34 2HD LYS 34 -33.224 26.218 -6.169 274 HE2 LYS 34 1HE LYS 34 -35.551 26.705 -6.053 275 HE3 LYS 34 2HE LYS 34 -35.373 28.109 -7.104 276 HZ1 LYS 34 3HZ LYS 34 -35.733 25.363 -7.797 277 HZ2 LYS 34 1HZ LYS 34 -34.383 26.028 -8.570 278 HZ3 LYS 34 2HZ LYS 34 -35.904 26.745 -8.757 279 H ALA 35 H ALA 35 -33.544 27.328 -2.453 280 HA ALA 35 HA ALA 35 -35.809 28.954 -2.390 281 HB1 ALA 35 1HB ALA 35 -35.951 26.551 -2.137 282 HB2 ALA 35 2HB ALA 35 -35.094 26.637 -0.598 283 HB3 ALA 35 3HB ALA 35 -36.701 27.346 -0.753 284 H LYS 36 H LYS 36 -33.006 29.022 -0.439 285 HA LYS 36 HA LYS 36 -34.249 30.267 1.848 286 HB2 LYS 36 1HB LYS 36 -31.580 29.288 1.125 287 HB3 LYS 36 2HB LYS 36 -31.556 30.757 2.092 288 HG2 LYS 36 1HG LYS 36 -33.286 29.404 3.555 289 HG3 LYS 36 2HG LYS 36 -32.475 28.027 2.804 290 HD2 LYS 36 1HD LYS 36 -30.929 30.248 4.107 291 HD3 LYS 36 2HD LYS 36 -31.557 28.887 5.040 292 HE2 LYS 36 1HE LYS 36 -30.014 28.302 2.568 293 HE3 LYS 36 2HE LYS 36 -29.127 28.865 3.984 294 HZ1 LYS 36 3HZ LYS 36 -29.389 26.913 4.994 295 HZ2 LYS 36 1HZ LYS 36 -29.858 26.298 3.489 296 HZ3 LYS 36 2HZ LYS 36 -31.030 26.809 4.597 297 H ILE 37 H ILE 37 -31.998 31.324 -0.702 298 HA ILE 37 HA ILE 37 -32.123 34.071 0.078 299 HB ILE 37 HB ILE 37 -30.798 34.549 -1.853 300 HG12 ILE 37 1HG1 ILE 37 -31.519 31.766 -2.795 301 HG13 ILE 37 2HG1 ILE 37 -32.044 33.283 -3.519 302 HG21 ILE 37 1HG2 ILE 37 -29.028 33.658 -0.856 303 HG22 ILE 37 2HG2 ILE 37 -30.104 32.598 0.053 304 HG23 ILE 37 3HG2 ILE 37 -29.437 32.063 -1.489 305 HD11 ILE 37 3HD1 ILE 37 -29.313 32.054 -3.526 306 HD12 ILE 37 1HD1 ILE 37 -30.327 32.507 -4.895 307 HD13 ILE 37 2HD1 ILE 37 -29.575 33.757 -3.903 308 H LEU 38 H LEU 38 -33.897 32.039 -2.126 309 HA LEU 38 HA LEU 38 -35.054 34.046 -3.729 310 HB2 LEU 38 1HB LEU 38 -35.538 31.200 -3.167 311 HB3 LEU 38 2HB LEU 38 -36.949 32.107 -3.709 312 HG LEU 38 HG LEU 38 -35.884 31.012 -5.584 313 HD11 LEU 38 1HD1 LEU 38 -36.548 32.762 -6.767 314 HD12 LEU 38 2HD1 LEU 38 -34.989 33.533 -6.478 315 HD13 LEU 38 3HD1 LEU 38 -36.332 33.819 -5.372 316 HD21 LEU 38 3HD2 LEU 38 -33.655 30.704 -4.956 317 HD22 LEU 38 1HD2 LEU 38 -33.431 32.411 -4.571 318 HD23 LEU 38 2HD2 LEU 38 -33.573 31.898 -6.253 319 H GLU 39 H GLU 39 -36.025 32.604 -0.659 320 HA GLU 39 HA GLU 39 -38.443 34.218 -0.567 321 HB2 GLU 39 1HB GLU 39 -37.283 32.135 1.278 322 HB3 GLU 39 2HB GLU 39 -38.710 33.074 1.691 323 HG2 GLU 39 1HG GLU 39 -38.726 31.701 -0.925 324 HG3 GLU 39 2HG GLU 39 -38.829 30.690 0.515 325 H LYS 40 H LYS 40 -35.249 34.104 0.849 326 HA LYS 40 HA LYS 40 -35.749 36.016 2.905 327 HB2 LYS 40 1HB LYS 40 -33.270 34.844 1.679 328 HB3 LYS 40 2HB LYS 40 -33.157 36.181 2.816 329 HG2 LYS 40 1HG LYS 40 -34.019 34.908 4.578 330 HG3 LYS 40 2HG LYS 40 -34.652 33.671 3.489 331 HD2 LYS 40 1HD LYS 40 -32.766 32.634 4.314 332 HD3 LYS 40 2HD LYS 40 -32.140 33.370 2.837 333 HE2 LYS 40 1HE LYS 40 -31.920 35.304 4.879 334 HE3 LYS 40 2HE LYS 40 -31.326 33.785 5.548 335 HZ1 LYS 40 3HZ LYS 40 -30.250 33.937 3.025 336 HZ2 LYS 40 1HZ LYS 40 -29.440 34.202 4.487 337 HZ3 LYS 40 2HZ LYS 40 -30.107 35.506 3.642 338 H ALA 41 H ALA 41 -34.260 36.202 -0.314 339 HA ALA 41 HA ALA 41 -33.704 38.981 -0.191 340 HB1 ALA 41 1HB ALA 41 -32.587 37.372 -1.725 341 HB2 ALA 41 2HB ALA 41 -34.077 37.305 -2.667 342 HB3 ALA 41 3HB ALA 41 -33.191 38.823 -2.525 343 H LYS 42 H LYS 42 -36.243 37.169 -1.922 344 HA LYS 42 HA LYS 42 -37.642 39.334 -2.944 345 HB2 LYS 42 1HB LYS 42 -38.550 36.589 -2.097 346 HB3 LYS 42 2HB LYS 42 -39.653 37.750 -2.825 347 HG2 LYS 42 1HG LYS 42 -37.089 37.046 -4.189 348 HG3 LYS 42 2HG LYS 42 -38.495 35.987 -4.316 349 HD2 LYS 42 1HD LYS 42 -39.819 37.828 -5.207 350 HD3 LYS 42 2HD LYS 42 -38.441 38.919 -5.035 351 HE2 LYS 42 1HE LYS 42 -37.705 38.316 -7.040 352 HE3 LYS 42 2HE LYS 42 -37.591 36.640 -6.503 353 HZ1 LYS 42 3HZ LYS 42 -39.469 37.831 -8.268 354 HZ2 LYS 42 1HZ LYS 42 -40.264 37.083 -6.975 355 HZ3 LYS 42 2HZ LYS 42 -39.199 36.193 -7.941 356 H GLU 43 H GLU 43 -37.577 38.047 0.288 357 HA GLU 43 HA GLU 43 -39.902 39.552 1.138 358 HB2 GLU 43 1HB GLU 43 -39.447 37.355 2.126 359 HB3 GLU 43 2HB GLU 43 -37.904 37.939 2.733 360 HG2 GLU 43 1HG GLU 43 -39.029 39.505 4.190 361 HG3 GLU 43 2HG GLU 43 -40.593 39.025 3.535 362 H GLU 44 H GLU 44 -36.507 39.468 2.242 363 HA GLU 44 HA GLU 44 -36.526 41.781 3.740 364 HB2 GLU 44 1HB GLU 44 -34.142 41.792 3.578 365 HB3 GLU 44 2HB GLU 44 -34.660 40.112 3.588 366 HG2 GLU 44 1HG GLU 44 -34.561 40.332 1.007 367 HG3 GLU 44 2HG GLU 44 -33.543 41.730 1.345 368 H ALA 45 H ALA 45 -36.153 41.409 0.264 369 HA ALA 45 HA ALA 45 -35.479 44.142 -0.229 370 HB1 ALA 45 1HB ALA 45 -35.680 43.608 -2.552 371 HB2 ALA 45 2HB ALA 45 -34.894 42.250 -1.743 372 HB3 ALA 45 3HB ALA 45 -36.598 42.146 -2.188 373 H GLU 46 H GLU 46 -38.464 42.250 -0.330 374 HA GLU 46 HA GLU 46 -40.109 44.257 -1.430 375 HB2 GLU 46 1HB GLU 46 -40.529 41.693 -0.003 376 HB3 GLU 46 2HB GLU 46 -41.874 42.826 0.014 377 HG2 GLU 46 1HG GLU 46 -41.866 42.897 -2.416 378 HG3 GLU 46 2HG GLU 46 -40.491 41.795 -2.453 379 H LYS 47 H LYS 47 -39.274 43.427 1.899 380 HA LYS 47 HA LYS 47 -41.020 45.419 3.026 381 HB2 LYS 47 1HB LYS 47 -38.833 43.728 4.249 382 HB3 LYS 47 2HB LYS 47 -39.865 44.818 5.166 383 HG2 LYS 47 1HG LYS 47 -40.820 42.459 3.555 384 HG3 LYS 47 2HG LYS 47 -40.610 42.491 5.307 385 HD2 LYS 47 1HD LYS 47 -42.483 44.251 3.723 386 HD3 LYS 47 2HD LYS 47 -42.951 42.836 4.670 387 HE2 LYS 47 1HE LYS 47 -41.704 45.374 5.721 388 HE3 LYS 47 2HE LYS 47 -43.380 44.867 5.925 389 HZ1 LYS 47 3HZ LYS 47 -41.896 42.766 6.861 390 HZ2 LYS 47 1HZ LYS 47 -42.713 43.913 7.799 391 HZ3 LYS 47 2HZ LYS 47 -41.076 44.131 7.433 392 H ARG 48 H ARG 48 -37.472 45.013 3.081 393 HA ARG 48 HA ARG 48 -37.132 47.821 3.712 394 HB2 ARG 48 1HB ARG 48 -35.138 45.589 3.291 395 HB3 ARG 48 2HB ARG 48 -34.699 47.235 3.725 396 HG2 ARG 48 1HG ARG 48 -36.515 45.505 5.384 397 HG3 ARG 48 2HG ARG 48 -34.771 45.618 5.626 398 HD2 ARG 48 1HD ARG 48 -36.689 47.943 5.722 399 HD3 ARG 48 2HD ARG 48 -36.057 47.097 7.133 400 HE ARG 48 HE ARG 48 -33.834 47.874 5.763 401 HH11 ARG 48 1HH1 ARG 48 -36.632 49.513 7.028 402 HH12 ARG 48 2HH1 ARG 48 -35.793 51.002 7.313 403 HH21 ARG 48 1HH2 ARG 48 -32.718 49.829 6.133 404 HH22 ARG 48 2HH2 ARG 48 -33.567 51.181 6.803 405 H LYS 49 H LYS 49 -38.354 47.861 1.384 406 HA LYS 49 HA LYS 49 -36.905 47.585 -0.968 407 HB2 LYS 49 1HB LYS 49 -39.275 49.132 -0.112 408 HB3 LYS 49 2HB LYS 49 -38.463 49.721 -1.557 409 HG2 LYS 49 1HG LYS 49 -39.273 46.849 -1.244 410 HG3 LYS 49 2HG LYS 49 -40.369 48.077 -1.881 411 HD2 LYS 49 1HD LYS 49 -37.928 48.397 -3.246 412 HD3 LYS 49 2HD LYS 49 -38.260 46.663 -3.213 413 HE2 LYS 49 1HE LYS 49 -40.682 47.484 -3.887 414 HE3 LYS 49 2HE LYS 49 -39.785 48.875 -4.492 415 HZ1 LYS 49 3HZ LYS 49 -40.127 47.104 -6.160 416 HZ2 LYS 49 1HZ LYS 49 -39.182 46.062 -5.220 417 HZ3 LYS 49 2HZ LYS 49 -38.495 47.454 -5.890 418 H ALA 50 H ALA 50 -35.797 49.104 -2.288 419 HA ALA 50 HA ALA 50 -34.643 51.377 -0.807 420 HB1 ALA 50 1HB ALA 50 -32.525 50.990 -1.948 421 HB2 ALA 50 2HB ALA 50 -33.011 49.568 -1.025 422 HB3 ALA 50 3HB ALA 50 -33.214 49.594 -2.777 423 H GLU 51 H GLU 51 -33.430 52.855 -2.505 424 HA GLU 51 HA GLU 51 -35.442 53.970 -4.151 425 HB2 GLU 51 1HB GLU 51 -32.631 54.565 -3.492 426 HB3 GLU 51 2HB GLU 51 -33.154 55.125 -5.074 427 HG2 GLU 51 1HG GLU 51 -35.118 56.199 -3.891 428 HG3 GLU 51 2HG GLU 51 -34.262 55.864 -2.386 429 H ILE 52 H ILE 52 -32.747 51.815 -4.770 430 HA ILE 52 HA ILE 52 -32.668 51.999 -7.566 431 HB ILE 52 HB ILE 52 -32.067 49.558 -5.893 432 HG12 ILE 52 1HG1 ILE 52 -29.749 51.015 -6.769 433 HG13 ILE 52 2HG1 ILE 52 -30.821 52.096 -5.886 434 HG21 ILE 52 1HG2 ILE 52 -31.331 50.355 -8.697 435 HG22 ILE 52 2HG2 ILE 52 -30.475 49.100 -7.803 436 HG23 ILE 52 3HG2 ILE 52 -32.191 48.912 -8.163 437 HD11 ILE 52 3HD1 ILE 52 -30.162 51.239 -3.962 438 HD12 ILE 52 1HD1 ILE 52 -30.598 49.613 -4.488 439 HD13 ILE 52 2HD1 ILE 52 -28.993 50.254 -4.842 Start of MODEL 13 1 H1 MET 1 H MET 1 1.149 7.241 -2.044 2 HA MET 1 HA MET 1 1.025 5.018 -1.216 3 HB2 MET 1 1HB MET 1 -0.738 6.068 0.992 4 HB3 MET 1 2HB MET 1 0.035 4.493 0.883 5 HG2 MET 1 1HG MET 1 1.694 5.289 2.102 6 HG3 MET 1 2HG MET 1 2.114 6.347 0.757 7 HE1 MET 1 3HE MET 1 2.232 9.340 1.688 8 HE2 MET 1 1HE MET 1 2.742 8.794 3.286 9 HE3 MET 1 2HE MET 1 3.192 7.869 1.853 10 H ALA 2 H ALA 2 -0.141 5.314 -3.314 11 HA ALA 2 HA ALA 2 -2.855 5.841 -3.554 12 HB1 ALA 2 1HB ALA 2 -2.545 4.055 -5.522 13 HB2 ALA 2 2HB ALA 2 -1.930 5.706 -5.615 14 HB3 ALA 2 3HB ALA 2 -0.850 4.386 -5.166 15 H VAL 3 H VAL 3 -1.598 2.535 -3.898 16 HA VAL 3 HA VAL 3 -3.561 1.551 -1.979 17 HB VAL 3 HB VAL 3 -3.466 0.447 -4.788 18 HG11 VAL 3 1HG1 VAL 3 -5.323 -0.115 -2.478 19 HG12 VAL 3 2HG1 VAL 3 -5.440 -0.815 -4.094 20 HG13 VAL 3 3HG1 VAL 3 -4.053 -1.186 -3.069 21 HG21 VAL 3 3HG2 VAL 3 -4.446 2.697 -4.760 22 HG22 VAL 3 1HG2 VAL 3 -5.652 1.462 -5.122 23 HG23 VAL 3 2HG2 VAL 3 -5.581 2.181 -3.513 24 H LYS 4 H LYS 4 -1.138 0.574 -4.398 25 HA LYS 4 HA LYS 4 0.631 -0.853 -4.282 26 HB2 LYS 4 1HB LYS 4 0.722 0.432 -1.926 27 HB3 LYS 4 2HB LYS 4 0.434 -1.201 -1.340 28 HG2 LYS 4 1HG LYS 4 2.535 -1.805 -1.727 29 HG3 LYS 4 2HG LYS 4 2.505 -1.136 -3.361 30 HD2 LYS 4 1HD LYS 4 2.900 0.484 -0.846 31 HD3 LYS 4 2HD LYS 4 4.205 -0.080 -1.893 32 HE2 LYS 4 1HE LYS 4 3.897 1.621 -3.292 33 HE3 LYS 4 2HE LYS 4 2.179 1.253 -3.440 34 HZ1 LYS 4 3HZ LYS 4 3.406 3.372 -2.055 35 HZ2 LYS 4 1HZ LYS 4 2.561 2.417 -0.944 36 HZ3 LYS 4 2HZ LYS 4 1.757 3.072 -2.279 37 H LEU 5 H LEU 5 -2.371 -1.680 -3.918 38 HA LEU 5 HA LEU 5 -1.814 -4.512 -3.950 39 HB2 LEU 5 1HB LEU 5 -3.478 -3.249 -1.787 40 HB3 LEU 5 2HB LEU 5 -3.621 -4.950 -2.228 41 HG LEU 5 HG LEU 5 -1.161 -3.599 -1.117 42 HD11 LEU 5 1HD1 LEU 5 -2.845 -5.730 0.167 43 HD12 LEU 5 2HD1 LEU 5 -3.127 -4.010 0.431 44 HD13 LEU 5 3HD1 LEU 5 -1.588 -4.732 0.900 45 HD21 LEU 5 3HD2 LEU 5 -1.020 -6.420 -0.992 46 HD22 LEU 5 1HD2 LEU 5 0.005 -5.312 -1.905 47 HD23 LEU 5 2HD2 LEU 5 -1.447 -5.985 -2.648 48 H MET 6 H MET 6 -4.187 -5.647 -3.955 49 HA MET 6 HA MET 6 -5.420 -4.621 -6.336 50 HB2 MET 6 1HB MET 6 -6.930 -6.601 -6.075 51 HB3 MET 6 2HB MET 6 -5.218 -6.999 -6.131 52 HG2 MET 6 1HG MET 6 -5.146 -7.371 -3.785 53 HG3 MET 6 2HG MET 6 -6.769 -6.717 -3.574 54 HE1 MET 6 3HE MET 6 -8.636 -7.626 -3.642 55 HE2 MET 6 1HE MET 6 -9.169 -8.849 -4.796 56 HE3 MET 6 2HE MET 6 -8.769 -9.313 -3.142 57 H GLY 7 H GLY 7 -5.827 -2.570 -4.850 58 HA2 GLY 7 1HA GLY 7 -8.242 -2.764 -3.260 59 HA3 GLY 7 2HA GLY 7 -7.305 -1.309 -3.566 60 H VAL 8 H VAL 8 -9.012 -3.642 -5.654 61 HA VAL 8 HA VAL 8 -9.848 -1.690 -7.508 62 HB VAL 8 HB VAL 8 -11.102 -4.390 -6.996 63 HG11 VAL 8 1HG1 VAL 8 -11.381 -3.970 -9.631 64 HG12 VAL 8 2HG1 VAL 8 -12.600 -3.503 -8.443 65 HG13 VAL 8 3HG1 VAL 8 -11.461 -2.304 -9.057 66 HG21 VAL 8 3HG2 VAL 8 -8.543 -3.613 -8.165 67 HG22 VAL 8 1HG2 VAL 8 -9.105 -5.190 -7.608 68 HG23 VAL 8 2HG2 VAL 8 -9.520 -4.627 -9.227 69 H ASP 9 H ASP 9 -11.308 -2.974 -4.594 70 HA ASP 9 HA ASP 9 -13.912 -1.933 -5.023 71 HB2 ASP 9 1HB ASP 9 -12.417 -3.063 -2.705 72 HB3 ASP 9 2HB ASP 9 -13.868 -2.123 -2.366 73 H LYS 10 H LYS 10 -10.953 -0.587 -3.795 74 HA LYS 10 HA LYS 10 -12.168 1.698 -2.556 75 HB2 LYS 10 1HB LYS 10 -9.296 1.253 -3.392 76 HB3 LYS 10 2HB LYS 10 -9.874 2.530 -2.329 77 HG2 LYS 10 1HG LYS 10 -10.293 -0.364 -1.670 78 HG3 LYS 10 2HG LYS 10 -8.795 0.476 -1.263 79 HD2 LYS 10 1HD LYS 10 -9.746 1.459 0.496 80 HD3 LYS 10 2HD LYS 10 -11.095 2.036 -0.486 81 HE2 LYS 10 1HE LYS 10 -11.139 -0.838 0.132 82 HE3 LYS 10 2HE LYS 10 -11.311 0.226 1.527 83 HZ1 LYS 10 3HZ LYS 10 -13.458 -0.321 0.587 84 HZ2 LYS 10 1HZ LYS 10 -12.991 0.287 -0.922 85 HZ3 LYS 10 2HZ LYS 10 -13.149 1.332 0.399 86 H ILE 11 H ILE 11 -10.286 1.196 -5.538 87 HA ILE 11 HA ILE 11 -10.570 3.848 -6.478 88 HB ILE 11 HB ILE 11 -9.888 2.930 -8.682 89 HG12 ILE 11 1HG1 ILE 11 -9.088 0.401 -8.361 90 HG13 ILE 11 2HG1 ILE 11 -10.460 0.378 -7.258 91 HG21 ILE 11 1HG2 ILE 11 -7.843 1.603 -7.275 92 HG22 ILE 11 2HG2 ILE 11 -7.859 3.269 -7.853 93 HG23 ILE 11 3HG2 ILE 11 -8.427 2.895 -6.226 94 HD11 ILE 11 3HD1 ILE 11 -10.478 0.052 -10.036 95 HD12 ILE 11 1HD1 ILE 11 -11.862 0.167 -8.950 96 HD13 ILE 11 2HD1 ILE 11 -11.222 1.619 -9.719 97 H LYS 12 H LYS 12 -12.457 0.912 -6.958 98 HA LYS 12 HA LYS 12 -14.168 1.995 -8.961 99 HB2 LYS 12 1HB LYS 12 -13.953 -0.384 -8.826 100 HB3 LYS 12 2HB LYS 12 -14.423 -0.391 -7.131 101 HG2 LYS 12 1HG LYS 12 -16.416 0.774 -8.932 102 HG3 LYS 12 2HG LYS 12 -16.079 -0.936 -9.212 103 HD2 LYS 12 1HD LYS 12 -17.282 -1.497 -7.428 104 HD3 LYS 12 2HD LYS 12 -16.288 -0.463 -6.398 105 HE2 LYS 12 1HE LYS 12 -17.732 1.324 -6.574 106 HE3 LYS 12 2HE LYS 12 -18.391 0.776 -8.115 107 HZ1 LYS 12 3HZ LYS 12 -19.124 -0.005 -5.396 108 HZ2 LYS 12 1HZ LYS 12 -19.219 -1.193 -6.597 109 HZ3 LYS 12 2HZ LYS 12 -20.105 0.239 -6.752 110 H SER 13 H SER 13 -14.125 2.077 -5.493 111 HA SER 13 HA SER 13 -16.872 3.034 -5.335 112 HB2 SER 13 1HB SER 13 -16.598 2.931 -2.936 113 HB3 SER 13 2HB SER 13 -15.952 1.445 -3.632 114 HG SER 13 HG SER 13 -14.594 3.615 -2.483 115 H LYS 14 H LYS 14 -13.639 4.249 -5.382 116 HA LYS 14 HA LYS 14 -14.015 6.723 -4.108 117 HB2 LYS 14 1HB LYS 14 -11.857 5.491 -5.040 118 HB3 LYS 14 2HB LYS 14 -12.160 6.516 -6.436 119 HG2 LYS 14 1HG LYS 14 -11.653 7.402 -3.606 120 HG3 LYS 14 2HG LYS 14 -10.596 7.614 -5.004 121 HD2 LYS 14 1HD LYS 14 -13.335 8.839 -4.673 122 HD3 LYS 14 2HD LYS 14 -11.801 9.679 -4.437 123 HE2 LYS 14 1HE LYS 14 -11.818 8.369 -6.989 124 HE3 LYS 14 2HE LYS 14 -13.258 9.373 -6.824 125 HZ1 LYS 14 3HZ LYS 14 -10.595 10.170 -7.305 126 HZ2 LYS 14 1HZ LYS 14 -11.128 10.861 -5.856 127 HZ3 LYS 14 2HZ LYS 14 -11.997 11.116 -7.285 128 H ILE 15 H ILE 15 -13.683 6.231 -7.625 129 HA ILE 15 HA ILE 15 -14.705 8.718 -8.364 130 HB ILE 15 HB ILE 15 -14.945 6.203 -10.012 131 HG12 ILE 15 1HG1 ILE 15 -12.648 7.703 -10.735 132 HG13 ILE 15 2HG1 ILE 15 -12.590 7.480 -8.989 133 HG21 ILE 15 1HG2 ILE 15 -14.403 8.069 -11.795 134 HG22 ILE 15 2HG2 ILE 15 -16.049 7.792 -11.228 135 HG23 ILE 15 3HG2 ILE 15 -15.100 9.121 -10.563 136 HD11 ILE 15 3HD1 ILE 15 -12.215 5.552 -11.149 137 HD12 ILE 15 1HD1 ILE 15 -11.614 5.539 -9.491 138 HD13 ILE 15 2HD1 ILE 15 -13.252 4.985 -9.840 139 H LEU 16 H LEU 16 -16.343 5.628 -7.867 140 HA LEU 16 HA LEU 16 -18.871 6.373 -8.835 141 HB2 LEU 16 1HB LEU 16 -17.820 4.262 -7.037 142 HB3 LEU 16 2HB LEU 16 -19.554 4.573 -6.997 143 HG LEU 16 HG LEU 16 -18.809 2.699 -8.501 144 HD11 LEU 16 1HD1 LEU 16 -20.923 3.272 -9.057 145 HD12 LEU 16 2HD1 LEU 16 -20.130 3.839 -10.527 146 HD13 LEU 16 3HD1 LEU 16 -20.531 4.982 -9.244 147 HD21 LEU 16 3HD2 LEU 16 -16.831 4.246 -9.311 148 HD22 LEU 16 1HD2 LEU 16 -18.022 4.742 -10.513 149 HD23 LEU 16 2HD2 LEU 16 -17.557 3.045 -10.380 150 H ASP 17 H ASP 17 -17.789 6.150 -5.441 151 HA ASP 17 HA ASP 17 -20.052 7.404 -4.348 152 HB2 ASP 17 1HB ASP 17 -17.235 7.166 -3.275 153 HB3 ASP 17 2HB ASP 17 -18.606 7.746 -2.333 154 H ASP 18 H ASP 18 -16.995 8.690 -5.525 155 HA ASP 18 HA ASP 18 -17.310 11.322 -4.559 156 HB2 ASP 18 1HB ASP 18 -15.156 10.407 -5.356 157 HB3 ASP 18 2HB ASP 18 -15.789 10.380 -7.000 158 H ALA 19 H ALA 19 -17.874 9.996 -7.822 159 HA ALA 19 HA ALA 19 -18.898 12.257 -9.028 160 HB1 ALA 19 1HB ALA 19 -18.364 10.005 -10.076 161 HB2 ALA 19 2HB ALA 19 -19.982 9.509 -9.577 162 HB3 ALA 19 3HB ALA 19 -19.779 10.856 -10.698 163 H LYS 20 H LYS 20 -20.839 9.629 -7.585 164 HA LYS 20 HA LYS 20 -23.318 10.868 -7.786 165 HB2 LYS 20 1HB LYS 20 -24.098 9.288 -6.141 166 HB3 LYS 20 2HB LYS 20 -22.944 8.481 -7.194 167 HG2 LYS 20 1HG LYS 20 -21.201 8.833 -5.464 168 HG3 LYS 20 2HG LYS 20 -22.447 9.491 -4.402 169 HD2 LYS 20 1HD LYS 20 -22.438 6.716 -5.589 170 HD3 LYS 20 2HD LYS 20 -21.993 7.124 -3.930 171 HE2 LYS 20 1HE LYS 20 -24.534 8.273 -4.482 172 HE3 LYS 20 2HE LYS 20 -24.570 6.587 -4.997 173 HZ1 LYS 20 3HZ LYS 20 -23.828 5.921 -2.812 174 HZ2 LYS 20 1HZ LYS 20 -25.230 6.859 -2.676 175 HZ3 LYS 20 2HZ LYS 20 -23.723 7.534 -2.312 176 H ALA 21 H ALA 21 -20.815 11.201 -5.345 177 HA ALA 21 HA ALA 21 -22.353 12.619 -3.441 178 HB1 ALA 21 1HB ALA 21 -20.166 13.301 -2.509 179 HB2 ALA 21 2HB ALA 21 -20.282 11.565 -2.801 180 HB3 ALA 21 3HB ALA 21 -19.376 12.588 -3.915 181 H GLU 22 H GLU 22 -20.302 13.663 -6.132 182 HA GLU 22 HA GLU 22 -20.376 16.418 -5.628 183 HB2 GLU 22 1HB GLU 22 -19.191 14.811 -7.505 184 HB3 GLU 22 2HB GLU 22 -20.391 15.663 -8.467 185 HG2 GLU 22 1HG GLU 22 -19.228 17.554 -8.430 186 HG3 GLU 22 2HG GLU 22 -18.939 17.440 -6.695 187 H ALA 23 H ALA 23 -22.568 14.327 -7.445 188 HA ALA 23 HA ALA 23 -24.245 16.517 -8.278 189 HB1 ALA 23 1HB ALA 23 -25.530 14.927 -9.424 190 HB2 ALA 23 2HB ALA 23 -23.876 14.324 -9.532 191 HB3 ALA 23 3HB ALA 23 -25.001 13.613 -8.375 192 H ASN 24 H ASN 24 -24.014 14.452 -5.541 193 HA ASN 24 HA ASN 24 -26.762 14.817 -4.712 194 HB2 ASN 24 1HB ASN 24 -24.405 13.306 -3.720 195 HB3 ASN 24 2HB ASN 24 -25.593 13.798 -2.516 196 HD21 ASN 24 2HD2 ASN 24 -24.782 11.172 -3.794 197 HD22 ASN 24 1HD2 ASN 24 -26.284 10.459 -4.265 198 H LYS 25 H LYS 25 -23.684 16.324 -4.201 199 HA LYS 25 HA LYS 25 -24.628 17.848 -1.908 200 HB2 LYS 25 1HB LYS 25 -22.107 16.993 -2.799 201 HB3 LYS 25 2HB LYS 25 -22.098 18.742 -2.979 202 HG2 LYS 25 1HG LYS 25 -21.227 18.121 -0.817 203 HG3 LYS 25 2HG LYS 25 -22.761 18.975 -0.627 204 HD2 LYS 25 1HD LYS 25 -23.784 17.183 0.266 205 HD3 LYS 25 2HD LYS 25 -23.016 16.062 -0.862 206 HE2 LYS 25 1HE LYS 25 -21.140 17.217 1.040 207 HE3 LYS 25 2HE LYS 25 -22.442 16.325 1.824 208 HZ1 LYS 25 3HZ LYS 25 -21.787 14.629 -0.110 209 HZ2 LYS 25 1HZ LYS 25 -21.081 14.596 1.427 210 HZ3 LYS 25 2HZ LYS 25 -20.281 15.355 0.145 211 H ILE 26 H ILE 26 -24.416 18.139 -5.313 212 HA ILE 26 HA ILE 26 -24.484 21.038 -5.318 213 HB ILE 26 HB ILE 26 -23.368 19.562 -7.105 214 HG12 ILE 26 1HG1 ILE 26 -24.000 21.187 -8.909 215 HG13 ILE 26 2HG1 ILE 26 -25.252 21.811 -7.841 216 HG21 ILE 26 1HG2 ILE 26 -25.641 18.272 -7.309 217 HG22 ILE 26 2HG2 ILE 26 -26.027 19.559 -8.449 218 HG23 ILE 26 3HG2 ILE 26 -24.623 18.529 -8.726 219 HD11 ILE 26 3HD1 ILE 26 -23.786 23.175 -6.919 220 HD12 ILE 26 1HD1 ILE 26 -22.803 21.801 -6.415 221 HD13 ILE 26 2HD1 ILE 26 -22.532 22.550 -7.989 222 H ILE 27 H ILE 27 -26.702 18.373 -5.469 223 HA ILE 27 HA ILE 27 -28.908 19.907 -6.494 224 HB ILE 27 HB ILE 27 -30.273 17.918 -5.858 225 HG12 ILE 27 1HG1 ILE 27 -28.203 16.031 -5.438 226 HG13 ILE 27 2HG1 ILE 27 -27.933 17.345 -4.298 227 HG21 ILE 27 1HG2 ILE 27 -29.651 17.717 -8.034 228 HG22 ILE 27 2HG2 ILE 27 -27.930 17.841 -7.669 229 HG23 ILE 27 3HG2 ILE 27 -28.785 16.325 -7.382 230 HD11 ILE 27 3HD1 ILE 27 -29.278 15.790 -3.177 231 HD12 ILE 27 1HD1 ILE 27 -30.367 17.091 -3.655 232 HD13 ILE 27 2HD1 ILE 27 -30.342 15.583 -4.568 233 H SER 28 H SER 28 -27.667 19.019 -3.347 234 HA SER 28 HA SER 28 -30.020 19.980 -1.958 235 HB2 SER 28 1HB SER 28 -28.869 18.092 -0.985 236 HB3 SER 28 2HB SER 28 -27.345 18.977 -0.960 237 HG SER 28 HG SER 28 -28.326 19.009 1.085 238 H GLU 29 H GLU 29 -26.593 20.923 -2.182 239 HA GLU 29 HA GLU 29 -26.768 23.249 -0.643 240 HB2 GLU 29 1HB GLU 29 -24.912 22.491 -2.898 241 HB3 GLU 29 2HB GLU 29 -24.721 23.965 -1.959 242 HG2 GLU 29 1HG GLU 29 -24.926 21.392 -0.496 243 HG3 GLU 29 2HG GLU 29 -23.429 21.752 -1.354 244 H ALA 30 H ALA 30 -27.866 22.585 -3.829 245 HA ALA 30 HA ALA 30 -27.983 25.359 -4.647 246 HB1 ALA 30 1HB ALA 30 -29.135 24.447 -6.653 247 HB2 ALA 30 2HB ALA 30 -27.549 23.733 -6.356 248 HB3 ALA 30 3HB ALA 30 -29.011 22.838 -5.940 249 H GLU 31 H GLU 31 -30.519 22.854 -4.472 250 HA GLU 31 HA GLU 31 -32.702 24.534 -4.478 251 HB2 GLU 31 1HB GLU 31 -33.991 22.713 -3.682 252 HB3 GLU 31 2HB GLU 31 -32.684 22.004 -4.620 253 HG2 GLU 31 1HG GLU 31 -31.459 21.665 -2.450 254 HG3 GLU 31 2HG GLU 31 -32.951 22.124 -1.631 255 H ALA 32 H ALA 32 -30.564 23.733 -1.839 256 HA ALA 32 HA ALA 32 -32.204 24.701 0.267 257 HB1 ALA 32 1HB ALA 32 -30.100 24.709 1.583 258 HB2 ALA 32 2HB ALA 32 -30.408 23.182 0.757 259 HB3 ALA 32 3HB ALA 32 -29.219 24.312 0.108 260 H GLU 33 H GLU 33 -29.139 26.124 -0.870 261 HA GLU 33 HA GLU 33 -29.503 28.627 0.253 262 HB2 GLU 33 1HB GLU 33 -27.756 27.450 -1.769 263 HB3 GLU 33 2HB GLU 33 -28.072 29.156 -2.055 264 HG2 GLU 33 1HG GLU 33 -27.427 28.528 0.722 265 HG3 GLU 33 2HG GLU 33 -26.136 28.153 -0.419 266 H LYS 34 H LYS 34 -30.714 27.339 -2.768 267 HA LYS 34 HA LYS 34 -31.513 29.754 -3.968 268 HB2 LYS 34 1HB LYS 34 -31.430 27.803 -5.326 269 HB3 LYS 34 2HB LYS 34 -32.504 26.921 -4.249 270 HG2 LYS 34 1HG LYS 34 -34.333 28.462 -4.869 271 HG3 LYS 34 2HG LYS 34 -33.244 29.241 -6.020 272 HD2 LYS 34 1HD LYS 34 -33.707 26.283 -6.124 273 HD3 LYS 34 2HD LYS 34 -34.862 27.398 -6.858 274 HE2 LYS 34 1HE LYS 34 -32.559 28.384 -7.846 275 HE3 LYS 34 2HE LYS 34 -32.118 26.685 -7.681 276 HZ1 LYS 34 3HZ LYS 34 -33.297 26.201 -9.475 277 HZ2 LYS 34 1HZ LYS 34 -33.591 27.850 -9.713 278 HZ3 LYS 34 2HZ LYS 34 -34.689 26.914 -8.831 279 H ALA 35 H ALA 35 -33.648 27.336 -2.440 280 HA ALA 35 HA ALA 35 -35.882 28.999 -2.249 281 HB1 ALA 35 1HB ALA 35 -36.673 27.374 -0.523 282 HB2 ALA 35 2HB ALA 35 -36.144 26.636 -2.035 283 HB3 ALA 35 3HB ALA 35 -35.095 26.592 -0.618 284 H LYS 36 H LYS 36 -32.993 28.984 -0.428 285 HA LYS 36 HA LYS 36 -34.113 30.205 1.936 286 HB2 LYS 36 1HB LYS 36 -31.479 29.222 1.068 287 HB3 LYS 36 2HB LYS 36 -31.419 30.639 2.109 288 HG2 LYS 36 1HG LYS 36 -33.260 28.912 3.306 289 HG3 LYS 36 2HG LYS 36 -31.918 27.893 2.784 290 HD2 LYS 36 1HD LYS 36 -31.482 30.457 4.290 291 HD3 LYS 36 2HD LYS 36 -31.769 28.924 5.116 292 HE2 LYS 36 1HE LYS 36 -29.646 29.153 3.017 293 HE3 LYS 36 2HE LYS 36 -29.334 29.689 4.668 294 HZ1 LYS 36 3HZ LYS 36 -30.126 27.405 5.356 295 HZ2 LYS 36 1HZ LYS 36 -28.625 27.475 4.578 296 HZ3 LYS 36 2HZ LYS 36 -29.995 26.962 3.728 297 H ILE 37 H ILE 37 -31.990 31.263 -0.719 298 HA ILE 37 HA ILE 37 -32.013 33.999 0.125 299 HB ILE 37 HB ILE 37 -30.768 34.488 -1.857 300 HG12 ILE 37 1HG1 ILE 37 -31.576 31.731 -2.807 301 HG13 ILE 37 2HG1 ILE 37 -32.110 33.266 -3.483 302 HG21 ILE 37 1HG2 ILE 37 -30.025 32.491 -0.014 303 HG22 ILE 37 2HG2 ILE 37 -29.434 31.975 -1.593 304 HG23 ILE 37 3HG2 ILE 37 -28.972 33.551 -0.951 305 HD11 ILE 37 3HD1 ILE 37 -29.395 33.477 -3.650 306 HD12 ILE 37 1HD1 ILE 37 -29.662 31.760 -3.950 307 HD13 ILE 37 2HD1 ILE 37 -30.467 32.966 -4.954 308 H LEU 38 H LEU 38 -33.926 32.038 -2.025 309 HA LEU 38 HA LEU 38 -35.113 34.096 -3.542 310 HB2 LEU 38 1HB LEU 38 -35.622 31.248 -3.013 311 HB3 LEU 38 2HB LEU 38 -37.040 32.188 -3.471 312 HG LEU 38 HG LEU 38 -36.083 31.116 -5.415 313 HD11 LEU 38 1HD1 LEU 38 -36.754 32.899 -6.543 314 HD12 LEU 38 2HD1 LEU 38 -35.179 33.649 -6.284 315 HD13 LEU 38 3HD1 LEU 38 -36.484 33.918 -5.129 316 HD21 LEU 38 3HD2 LEU 38 -33.833 30.757 -4.886 317 HD22 LEU 38 1HD2 LEU 38 -33.559 32.456 -4.498 318 HD23 LEU 38 2HD2 LEU 38 -33.791 31.961 -6.175 319 H GLU 39 H GLU 39 -35.972 32.612 -0.458 320 HA GLU 39 HA GLU 39 -38.354 34.267 -0.229 321 HB2 GLU 39 1HB GLU 39 -37.338 31.845 1.042 322 HB3 GLU 39 2HB GLU 39 -38.001 32.987 2.202 323 HG2 GLU 39 1HG GLU 39 -39.488 32.103 -0.252 324 HG3 GLU 39 2HG GLU 39 -39.598 31.269 1.297 325 H LYS 40 H LYS 40 -35.102 34.068 1.036 326 HA LYS 40 HA LYS 40 -35.476 35.944 3.153 327 HB2 LYS 40 1HB LYS 40 -33.656 34.306 3.196 328 HB3 LYS 40 2HB LYS 40 -32.948 35.037 1.761 329 HG2 LYS 40 1HG LYS 40 -31.877 36.555 2.970 330 HG3 LYS 40 2HG LYS 40 -33.349 37.001 3.835 331 HD2 LYS 40 1HD LYS 40 -31.913 34.467 4.523 332 HD3 LYS 40 2HD LYS 40 -31.330 36.012 5.148 333 HE2 LYS 40 1HE LYS 40 -34.044 36.115 5.622 334 HE3 LYS 40 2HE LYS 40 -33.645 34.426 5.932 335 HZ1 LYS 40 3HZ LYS 40 -33.447 35.847 7.912 336 HZ2 LYS 40 1HZ LYS 40 -32.231 36.739 7.145 337 HZ3 LYS 40 2HZ LYS 40 -31.983 35.105 7.503 338 H ALA 41 H ALA 41 -34.111 36.164 -0.119 339 HA ALA 41 HA ALA 41 -33.522 38.941 0.046 340 HB1 ALA 41 1HB ALA 41 -32.938 38.814 -2.232 341 HB2 ALA 41 2HB ALA 41 -32.498 37.250 -1.544 342 HB3 ALA 41 3HB ALA 41 -33.971 37.410 -2.501 343 H LYS 42 H LYS 42 -36.108 37.149 -1.633 344 HA LYS 42 HA LYS 42 -37.512 39.326 -2.628 345 HB2 LYS 42 1HB LYS 42 -37.949 36.961 -3.229 346 HB3 LYS 42 2HB LYS 42 -38.672 36.711 -1.645 347 HG2 LYS 42 1HG LYS 42 -40.584 37.796 -2.191 348 HG3 LYS 42 2HG LYS 42 -39.768 38.917 -3.283 349 HD2 LYS 42 1HD LYS 42 -41.143 37.493 -4.614 350 HD3 LYS 42 2HD LYS 42 -39.467 37.004 -4.876 351 HE2 LYS 42 1HE LYS 42 -39.804 35.218 -3.164 352 HE3 LYS 42 2HE LYS 42 -41.512 35.653 -3.120 353 HZ1 LYS 42 3HZ LYS 42 -40.078 34.094 -5.050 354 HZ2 LYS 42 1HZ LYS 42 -41.005 35.315 -5.766 355 HZ3 LYS 42 2HZ LYS 42 -41.742 34.179 -4.753 356 H GLU 43 H GLU 43 -37.346 38.071 0.603 357 HA GLU 43 HA GLU 43 -39.665 39.550 1.512 358 HB2 GLU 43 1HB GLU 43 -39.138 37.367 2.504 359 HB3 GLU 43 2HB GLU 43 -37.592 37.990 3.065 360 HG2 GLU 43 1HG GLU 43 -38.577 39.340 4.677 361 HG3 GLU 43 2HG GLU 43 -40.156 39.283 3.897 362 H GLU 44 H GLU 44 -36.238 39.525 2.516 363 HA GLU 44 HA GLU 44 -36.258 41.870 3.976 364 HB2 GLU 44 1HB GLU 44 -33.858 41.922 3.713 365 HB3 GLU 44 2HB GLU 44 -34.379 40.254 3.900 366 HG2 GLU 44 1HG GLU 44 -34.375 40.245 1.300 367 HG3 GLU 44 2HG GLU 44 -33.321 41.646 1.486 368 H ALA 45 H ALA 45 -35.862 41.421 0.503 369 HA ALA 45 HA ALA 45 -35.220 44.134 -0.071 370 HB1 ALA 45 1HB ALA 45 -36.361 42.033 -1.910 371 HB2 ALA 45 2HB ALA 45 -35.574 43.536 -2.394 372 HB3 ALA 45 3HB ALA 45 -34.646 42.278 -1.577 373 H GLU 46 H GLU 46 -38.222 42.278 -0.003 374 HA GLU 46 HA GLU 46 -39.875 44.281 -1.121 375 HB2 GLU 46 1HB GLU 46 -40.283 41.740 0.347 376 HB3 GLU 46 2HB GLU 46 -41.616 42.885 0.388 377 HG2 GLU 46 1HG GLU 46 -41.824 42.864 -1.972 378 HG3 GLU 46 2HG GLU 46 -40.309 41.982 -2.161 379 H LYS 47 H LYS 47 -39.265 43.337 2.255 380 HA LYS 47 HA LYS 47 -40.861 45.423 3.355 381 HB2 LYS 47 1HB LYS 47 -39.769 44.798 5.499 382 HB3 LYS 47 2HB LYS 47 -40.462 43.425 4.646 383 HG2 LYS 47 1HG LYS 47 -37.954 43.344 3.685 384 HG3 LYS 47 2HG LYS 47 -37.654 44.045 5.277 385 HD2 LYS 47 1HD LYS 47 -39.471 41.966 5.713 386 HD3 LYS 47 2HD LYS 47 -38.298 41.326 4.559 387 HE2 LYS 47 1HE LYS 47 -36.484 42.108 6.076 388 HE3 LYS 47 2HE LYS 47 -37.720 42.560 7.249 389 HZ1 LYS 47 3HZ LYS 47 -36.693 40.340 7.620 390 HZ2 LYS 47 1HZ LYS 47 -37.406 39.811 6.179 391 HZ3 LYS 47 2HZ LYS 47 -38.378 40.304 7.473 392 H ARG 48 H ARG 48 -37.373 45.004 2.862 393 HA ARG 48 HA ARG 48 -36.933 47.777 3.698 394 HB2 ARG 48 1HB ARG 48 -34.804 45.771 2.975 395 HB3 ARG 48 2HB ARG 48 -34.636 47.238 3.931 396 HG2 ARG 48 1HG ARG 48 -36.533 45.701 5.280 397 HG3 ARG 48 2HG ARG 48 -35.281 44.566 4.771 398 HD2 ARG 48 1HD ARG 48 -34.817 47.134 6.283 399 HD3 ARG 48 2HD ARG 48 -34.821 45.518 6.987 400 HE ARG 48 HE ARG 48 -32.959 45.651 4.867 401 HH11 ARG 48 1HH1 ARG 48 -33.439 46.713 8.147 402 HH12 ARG 48 2HH1 ARG 48 -31.746 46.781 8.511 403 HH21 ARG 48 1HH2 ARG 48 -30.728 45.737 5.333 404 HH22 ARG 48 2HH2 ARG 48 -30.205 46.226 6.909 405 H LYS 49 H LYS 49 -38.280 47.718 1.378 406 HA LYS 49 HA LYS 49 -36.908 47.493 -1.012 407 HB2 LYS 49 1HB LYS 49 -39.353 48.727 -0.095 408 HB3 LYS 49 2HB LYS 49 -38.574 49.736 -1.306 409 HG2 LYS 49 1HG LYS 49 -38.373 47.461 -2.604 410 HG3 LYS 49 2HG LYS 49 -39.724 47.007 -1.562 411 HD2 LYS 49 1HD LYS 49 -39.928 49.643 -2.874 412 HD3 LYS 49 2HD LYS 49 -40.015 48.240 -3.941 413 HE2 LYS 49 1HE LYS 49 -41.706 48.611 -1.473 414 HE3 LYS 49 2HE LYS 49 -42.227 49.027 -3.105 415 HZ1 LYS 49 3HZ LYS 49 -42.510 46.599 -1.891 416 HZ2 LYS 49 1HZ LYS 49 -41.208 46.363 -2.944 417 HZ3 LYS 49 2HZ LYS 49 -42.691 46.913 -3.543 418 H ALA 50 H ALA 50 -35.761 48.936 -2.320 419 HA ALA 50 HA ALA 50 -34.532 51.180 -0.860 420 HB1 ALA 50 1HB ALA 50 -33.316 49.019 -2.093 421 HB2 ALA 50 2HB ALA 50 -33.099 50.345 -3.236 422 HB3 ALA 50 3HB ALA 50 -32.532 50.512 -1.575 423 H GLU 51 H GLU 51 -35.085 53.143 -1.517 424 HA GLU 51 HA GLU 51 -36.277 53.477 -4.170 425 HB2 GLU 51 1HB GLU 51 -37.154 55.578 -3.348 426 HB3 GLU 51 2HB GLU 51 -37.532 54.299 -2.203 427 HG2 GLU 51 1HG GLU 51 -35.097 55.310 -1.335 428 HG3 GLU 51 2HG GLU 51 -36.022 56.728 -1.827 429 H ILE 52 H ILE 52 -33.460 53.107 -3.982 430 HA ILE 52 HA ILE 52 -32.529 55.752 -4.891 431 HB ILE 52 HB ILE 52 -30.781 53.652 -3.612 432 HG12 ILE 52 1HG1 ILE 52 -32.417 54.540 -1.989 433 HG13 ILE 52 2HG1 ILE 52 -30.775 55.051 -1.611 434 HG21 ILE 52 1HG2 ILE 52 -30.343 56.439 -4.613 435 HG22 ILE 52 2HG2 ILE 52 -29.308 55.757 -3.359 436 HG23 ILE 52 3HG2 ILE 52 -29.411 54.977 -4.937 437 HD11 ILE 52 3HD1 ILE 52 -32.516 56.812 -1.351 438 HD12 ILE 52 1HD1 ILE 52 -31.189 57.242 -2.429 439 HD13 ILE 52 2HD1 ILE 52 -32.748 56.759 -3.098 Start of MODEL 14 1 H1 MET 1 H MET 1 -4.289 -13.447 -6.269 2 HA MET 1 HA MET 1 -2.020 -13.238 -5.905 3 HB2 MET 1 1HB MET 1 -2.099 -12.255 -8.743 4 HB3 MET 1 2HB MET 1 -0.649 -12.071 -7.766 5 HG2 MET 1 1HG MET 1 -1.370 -14.722 -7.417 6 HG3 MET 1 2HG MET 1 -1.688 -14.401 -9.121 7 HE1 MET 1 3HE MET 1 1.508 -16.211 -9.582 8 HE2 MET 1 1HE MET 1 -0.256 -16.198 -9.601 9 HE3 MET 1 2HE MET 1 0.645 -15.227 -10.766 10 H ALA 2 H ALA 2 -2.250 -11.840 -4.224 11 HA ALA 2 HA ALA 2 -2.172 -9.893 -3.049 12 HB1 ALA 2 1HB ALA 2 -0.177 -9.701 -4.774 13 HB2 ALA 2 2HB ALA 2 -1.159 -8.371 -5.391 14 HB3 ALA 2 3HB ALA 2 -0.617 -8.362 -3.712 15 H VAL 3 H VAL 3 -4.452 -10.534 -4.984 16 HA VAL 3 HA VAL 3 -5.532 -7.829 -5.354 17 HB VAL 3 HB VAL 3 -6.673 -10.425 -6.390 18 HG11 VAL 3 1HG1 VAL 3 -8.356 -8.757 -6.318 19 HG12 VAL 3 2HG1 VAL 3 -7.261 -7.527 -6.954 20 HG13 VAL 3 3HG1 VAL 3 -7.809 -8.844 -7.992 21 HG21 VAL 3 3HG2 VAL 3 -4.587 -8.607 -7.489 22 HG22 VAL 3 1HG2 VAL 3 -4.717 -10.364 -7.580 23 HG23 VAL 3 2HG2 VAL 3 -5.733 -9.349 -8.605 24 H LYS 4 H LYS 4 -5.866 -10.686 -3.460 25 HA LYS 4 HA LYS 4 -8.502 -10.624 -2.647 26 HB2 LYS 4 1HB LYS 4 -7.847 -11.884 -0.759 27 HB3 LYS 4 2HB LYS 4 -6.695 -12.302 -2.021 28 HG2 LYS 4 1HG LYS 4 -5.102 -10.679 -1.034 29 HG3 LYS 4 2HG LYS 4 -6.247 -10.419 0.285 30 HD2 LYS 4 1HD LYS 4 -5.021 -12.048 1.271 31 HD3 LYS 4 2HD LYS 4 -6.094 -13.099 0.344 32 HE2 LYS 4 1HE LYS 4 -4.080 -12.491 -1.443 33 HE3 LYS 4 2HE LYS 4 -3.228 -12.658 0.091 34 HZ1 LYS 4 3HZ LYS 4 -3.922 -14.701 -1.525 35 HZ2 LYS 4 1HZ LYS 4 -5.179 -14.721 -0.392 36 HZ3 LYS 4 2HZ LYS 4 -3.573 -14.850 0.123 37 H LEU 5 H LEU 5 -5.858 -8.533 -1.716 38 HA LEU 5 HA LEU 5 -6.959 -7.366 0.572 39 HB2 LEU 5 1HB LEU 5 -4.729 -6.938 -1.129 40 HB3 LEU 5 2HB LEU 5 -5.540 -5.389 -0.902 41 HG LEU 5 HG LEU 5 -3.716 -5.737 0.702 42 HD11 LEU 5 1HD1 LEU 5 -4.821 -4.757 2.432 43 HD12 LEU 5 2HD1 LEU 5 -6.162 -5.901 2.374 44 HD13 LEU 5 3HD1 LEU 5 -6.059 -4.602 1.186 45 HD21 LEU 5 3HD2 LEU 5 -3.823 -8.164 0.874 46 HD22 LEU 5 1HD2 LEU 5 -5.391 -8.050 1.674 47 HD23 LEU 5 2HD2 LEU 5 -3.948 -7.417 2.468 48 H MET 6 H MET 6 -7.991 -5.314 0.862 49 HA MET 6 HA MET 6 -10.148 -4.890 -0.948 50 HB2 MET 6 1HB MET 6 -10.659 -2.940 0.563 51 HB3 MET 6 2HB MET 6 -10.560 -4.501 1.367 52 HG2 MET 6 1HG MET 6 -8.014 -3.103 1.305 53 HG3 MET 6 2HG MET 6 -9.280 -2.195 2.128 54 HE1 MET 6 3HE MET 6 -9.395 -2.755 5.049 55 HE2 MET 6 1HE MET 6 -7.735 -3.319 5.242 56 HE3 MET 6 2HE MET 6 -8.107 -2.057 4.067 57 H GLY 7 H GLY 7 -8.986 -4.434 -2.916 58 HA2 GLY 7 1HA GLY 7 -7.881 -1.695 -3.000 59 HA3 GLY 7 2HA GLY 7 -7.366 -2.994 -4.066 60 H VAL 8 H VAL 8 -9.539 -4.047 -5.109 61 HA VAL 8 HA VAL 8 -10.393 -2.182 -7.018 62 HB VAL 8 HB VAL 8 -10.400 -4.608 -7.419 63 HG11 VAL 8 1HG1 VAL 8 -12.961 -4.884 -5.918 64 HG12 VAL 8 2HG1 VAL 8 -11.773 -6.113 -6.357 65 HG13 VAL 8 3HG1 VAL 8 -11.435 -4.987 -5.042 66 HG21 VAL 8 3HG2 VAL 8 -12.009 -4.429 -8.983 67 HG22 VAL 8 1HG2 VAL 8 -13.248 -3.999 -7.804 68 HG23 VAL 8 2HG2 VAL 8 -12.134 -2.769 -8.401 69 H ASP 9 H ASP 9 -11.788 -3.187 -3.966 70 HA ASP 9 HA ASP 9 -14.354 -2.046 -4.357 71 HB2 ASP 9 1HB ASP 9 -12.805 -3.055 -2.016 72 HB3 ASP 9 2HB ASP 9 -14.215 -2.046 -1.706 73 H LYS 10 H LYS 10 -11.282 -0.764 -3.358 74 HA LYS 10 HA LYS 10 -12.330 1.666 -2.250 75 HB2 LYS 10 1HB LYS 10 -9.818 0.364 -2.344 76 HB3 LYS 10 2HB LYS 10 -9.601 1.941 -3.092 77 HG2 LYS 10 1HG LYS 10 -9.178 2.469 -0.920 78 HG3 LYS 10 2HG LYS 10 -10.919 2.759 -0.967 79 HD2 LYS 10 1HD LYS 10 -11.249 1.221 0.604 80 HD3 LYS 10 2HD LYS 10 -10.436 0.001 -0.380 81 HE2 LYS 10 1HE LYS 10 -8.954 -0.040 1.309 82 HE3 LYS 10 2HE LYS 10 -8.318 1.418 0.549 83 HZ1 LYS 10 3HZ LYS 10 -9.977 1.155 2.958 84 HZ2 LYS 10 1HZ LYS 10 -10.083 2.572 2.040 85 HZ3 LYS 10 2HZ LYS 10 -8.600 2.102 2.701 86 H ILE 11 H ILE 11 -10.609 0.849 -5.260 87 HA ILE 11 HA ILE 11 -10.810 3.435 -6.387 88 HB ILE 11 HB ILE 11 -10.267 2.326 -8.539 89 HG12 ILE 11 1HG1 ILE 11 -9.579 -0.210 -8.075 90 HG13 ILE 11 2HG1 ILE 11 -10.888 -0.088 -6.904 91 HG21 ILE 11 1HG2 ILE 11 -8.057 1.967 -7.993 92 HG22 ILE 11 2HG2 ILE 11 -8.616 2.898 -6.604 93 HG23 ILE 11 3HG2 ILE 11 -8.452 1.147 -6.483 94 HD11 ILE 11 3HD1 ILE 11 -11.072 -0.603 -9.648 95 HD12 ILE 11 1HD1 ILE 11 -12.389 -0.348 -8.502 96 HD13 ILE 11 2HD1 ILE 11 -11.727 1.016 -9.404 97 H LYS 12 H LYS 12 -12.861 0.579 -6.538 98 HA LYS 12 HA LYS 12 -14.603 1.590 -8.556 99 HB2 LYS 12 1HB LYS 12 -14.499 -0.778 -8.257 100 HB3 LYS 12 2HB LYS 12 -14.878 -0.642 -6.545 101 HG2 LYS 12 1HG LYS 12 -16.926 0.516 -8.260 102 HG3 LYS 12 2HG LYS 12 -16.660 -1.205 -8.549 103 HD2 LYS 12 1HD LYS 12 -17.746 -1.731 -6.681 104 HD3 LYS 12 2HD LYS 12 -16.688 -0.688 -5.728 105 HE2 LYS 12 1HE LYS 12 -18.114 1.128 -5.896 106 HE3 LYS 12 2HE LYS 12 -18.896 0.509 -7.349 107 HZ1 LYS 12 3HZ LYS 12 -20.333 -0.718 -6.157 108 HZ2 LYS 12 1HZ LYS 12 -19.979 0.384 -4.923 109 HZ3 LYS 12 2HZ LYS 12 -19.201 -1.117 -4.965 110 H SER 13 H SER 13 -14.400 1.926 -5.110 111 HA SER 13 HA SER 13 -17.090 3.023 -4.907 112 HB2 SER 13 1HB SER 13 -16.707 3.090 -2.522 113 HB3 SER 13 2HB SER 13 -16.158 1.527 -3.127 114 HG SER 13 HG SER 13 -14.558 2.283 -1.813 115 H LYS 14 H LYS 14 -13.809 4.077 -5.178 116 HA LYS 14 HA LYS 14 -14.026 6.659 -4.095 117 HB2 LYS 14 1HB LYS 14 -11.962 5.259 -5.000 118 HB3 LYS 14 2HB LYS 14 -12.276 6.181 -6.464 119 HG2 LYS 14 1HG LYS 14 -11.619 7.268 -3.737 120 HG3 LYS 14 2HG LYS 14 -10.610 7.318 -5.185 121 HD2 LYS 14 1HD LYS 14 -13.280 8.689 -4.858 122 HD3 LYS 14 2HD LYS 14 -11.703 9.475 -4.746 123 HE2 LYS 14 1HE LYS 14 -11.881 7.965 -7.180 124 HE3 LYS 14 2HE LYS 14 -13.262 9.053 -7.046 125 HZ1 LYS 14 3HZ LYS 14 -11.614 10.299 -8.096 126 HZ2 LYS 14 1HZ LYS 14 -10.386 9.735 -7.077 127 HZ3 LYS 14 2HZ LYS 14 -11.544 10.818 -6.487 128 H ILE 15 H ILE 15 -13.855 5.878 -7.571 129 HA ILE 15 HA ILE 15 -14.807 8.346 -8.462 130 HB ILE 15 HB ILE 15 -15.183 5.727 -9.910 131 HG12 ILE 15 1HG1 ILE 15 -12.863 7.095 -10.808 132 HG13 ILE 15 2HG1 ILE 15 -12.757 6.986 -9.054 133 HG21 ILE 15 1HG2 ILE 15 -16.301 7.315 -11.154 134 HG22 ILE 15 2HG2 ILE 15 -15.189 8.605 -10.701 135 HG23 ILE 15 3HG2 ILE 15 -14.688 7.378 -11.865 136 HD11 ILE 15 3HD1 ILE 15 -12.499 4.913 -11.087 137 HD12 ILE 15 1HD1 ILE 15 -11.871 4.979 -9.440 138 HD13 ILE 15 2HD1 ILE 15 -13.533 4.464 -9.731 139 H LEU 16 H LEU 16 -16.534 5.352 -7.719 140 HA LEU 16 HA LEU 16 -19.062 6.112 -8.656 141 HB2 LEU 16 1HB LEU 16 -18.322 3.816 -7.950 142 HB3 LEU 16 2HB LEU 16 -18.515 4.344 -6.280 143 HG LEU 16 HG LEU 16 -20.931 4.776 -6.789 144 HD11 LEU 16 1HD1 LEU 16 -21.693 4.674 -8.865 145 HD12 LEU 16 2HD1 LEU 16 -21.147 3.004 -9.013 146 HD13 LEU 16 3HD1 LEU 16 -20.060 4.328 -9.433 147 HD21 LEU 16 3HD2 LEU 16 -20.557 1.924 -7.415 148 HD22 LEU 16 1HD2 LEU 16 -21.448 2.694 -6.103 149 HD23 LEU 16 2HD2 LEU 16 -19.697 2.511 -5.991 150 H ASP 17 H ASP 17 -17.855 6.151 -5.297 151 HA ASP 17 HA ASP 17 -20.053 7.555 -4.241 152 HB2 ASP 17 1HB ASP 17 -18.358 6.221 -2.934 153 HB3 ASP 17 2HB ASP 17 -17.240 7.567 -3.139 154 H ASP 18 H ASP 18 -16.982 8.634 -5.586 155 HA ASP 18 HA ASP 18 -17.172 11.341 -4.833 156 HB2 ASP 18 1HB ASP 18 -15.663 9.862 -6.963 157 HB3 ASP 18 2HB ASP 18 -15.649 11.624 -6.938 158 H ALA 19 H ALA 19 -17.923 9.787 -7.954 159 HA ALA 19 HA ALA 19 -18.916 11.995 -9.289 160 HB1 ALA 19 1HB ALA 19 -20.186 9.308 -9.642 161 HB2 ALA 19 2HB ALA 19 -19.795 10.528 -10.855 162 HB3 ALA 19 3HB ALA 19 -18.507 9.578 -10.113 163 H LYS 20 H LYS 20 -20.895 9.529 -7.627 164 HA LYS 20 HA LYS 20 -23.335 10.827 -7.819 165 HB2 LYS 20 1HB LYS 20 -24.100 9.398 -6.037 166 HB3 LYS 20 2HB LYS 20 -23.000 8.481 -7.057 167 HG2 LYS 20 1HG LYS 20 -21.195 8.908 -5.415 168 HG3 LYS 20 2HG LYS 20 -22.383 9.695 -4.372 169 HD2 LYS 20 1HD LYS 20 -22.501 6.832 -5.323 170 HD3 LYS 20 2HD LYS 20 -21.991 7.361 -3.718 171 HE2 LYS 20 1HE LYS 20 -24.509 8.547 -4.286 172 HE3 LYS 20 2HE LYS 20 -24.617 6.828 -4.664 173 HZ1 LYS 20 3HZ LYS 20 -23.595 6.450 -2.406 174 HZ2 LYS 20 1HZ LYS 20 -25.183 7.035 -2.410 175 HZ3 LYS 20 2HZ LYS 20 -23.897 8.083 -2.081 176 H ALA 21 H ALA 21 -20.737 11.272 -5.500 177 HA ALA 21 HA ALA 21 -22.164 12.871 -3.655 178 HB1 ALA 21 1HB ALA 21 -19.804 13.662 -3.036 179 HB2 ALA 21 2HB ALA 21 -20.180 11.949 -2.842 180 HB3 ALA 21 3HB ALA 21 -19.246 12.495 -4.235 181 H GLU 22 H GLU 22 -20.176 13.662 -6.480 182 HA GLU 22 HA GLU 22 -20.180 16.446 -6.187 183 HB2 GLU 22 1HB GLU 22 -19.146 14.638 -8.009 184 HB3 GLU 22 2HB GLU 22 -20.301 15.557 -8.965 185 HG2 GLU 22 1HG GLU 22 -19.081 17.448 -8.876 186 HG3 GLU 22 2HG GLU 22 -18.513 17.136 -7.237 187 H ALA 23 H ALA 23 -22.474 14.277 -7.771 188 HA ALA 23 HA ALA 23 -24.132 16.439 -8.710 189 HB1 ALA 23 1HB ALA 23 -24.447 14.736 -10.156 190 HB2 ALA 23 2HB ALA 23 -24.121 13.499 -8.940 191 HB3 ALA 23 3HB ALA 23 -25.703 14.277 -9.005 192 H ASN 24 H ASN 24 -23.833 14.607 -5.829 193 HA ASN 24 HA ASN 24 -26.554 15.092 -4.950 194 HB2 ASN 24 1HB ASN 24 -24.218 13.562 -3.936 195 HB3 ASN 24 2HB ASN 24 -25.353 14.166 -2.733 196 HD21 ASN 24 2HD2 ASN 24 -24.840 11.444 -3.334 197 HD22 ASN 24 1HD2 ASN 24 -26.310 10.754 -3.926 198 H LYS 25 H LYS 25 -23.505 16.638 -4.800 199 HA LYS 25 HA LYS 25 -24.168 18.227 -2.459 200 HB2 LYS 25 1HB LYS 25 -21.780 17.423 -3.657 201 HB3 LYS 25 2HB LYS 25 -21.873 19.149 -3.980 202 HG2 LYS 25 1HG LYS 25 -20.659 18.741 -1.933 203 HG3 LYS 25 2HG LYS 25 -22.177 19.573 -1.584 204 HD2 LYS 25 1HD LYS 25 -23.160 17.651 -0.689 205 HD3 LYS 25 2HD LYS 25 -21.979 16.582 -1.450 206 HE2 LYS 25 1HE LYS 25 -20.998 18.596 0.504 207 HE3 LYS 25 2HE LYS 25 -21.863 17.192 1.125 208 HZ1 LYS 25 3HZ LYS 25 -19.947 16.404 -0.806 209 HZ2 LYS 25 1HZ LYS 25 -20.081 15.938 0.815 210 HZ3 LYS 25 2HZ LYS 25 -19.204 17.325 0.403 211 H ILE 26 H ILE 26 -23.991 18.566 -5.951 212 HA ILE 26 HA ILE 26 -24.329 21.384 -6.024 213 HB ILE 26 HB ILE 26 -24.911 21.072 -8.394 214 HG12 ILE 26 1HG1 ILE 26 -24.450 18.442 -8.983 215 HG13 ILE 26 2HG1 ILE 26 -25.334 18.308 -7.467 216 HG21 ILE 26 1HG2 ILE 26 -22.635 21.235 -8.180 217 HG22 ILE 26 2HG2 ILE 26 -22.512 19.775 -7.199 218 HG23 ILE 26 3HG2 ILE 26 -22.770 19.649 -8.939 219 HD11 ILE 26 3HD1 ILE 26 -26.245 19.657 -9.993 220 HD12 ILE 26 1HD1 ILE 26 -26.890 18.187 -9.264 221 HD13 ILE 26 2HD1 ILE 26 -27.108 19.741 -8.458 222 H ILE 27 H ILE 27 -26.553 18.662 -5.995 223 HA ILE 27 HA ILE 27 -28.888 20.179 -6.599 224 HB ILE 27 HB ILE 27 -30.119 18.188 -5.708 225 HG12 ILE 27 1HG1 ILE 27 -27.944 16.351 -5.643 226 HG13 ILE 27 2HG1 ILE 27 -27.570 17.665 -4.533 227 HG21 ILE 27 1HG2 ILE 27 -29.513 16.736 -7.537 228 HG22 ILE 27 2HG2 ILE 27 -29.435 18.414 -8.071 229 HG23 ILE 27 3HG2 ILE 27 -27.951 17.538 -7.698 230 HD11 ILE 27 3HD1 ILE 27 -30.274 16.929 -4.131 231 HD12 ILE 27 1HD1 ILE 27 -29.298 15.460 -4.149 232 HD13 ILE 27 2HD1 ILE 27 -28.908 16.765 -3.028 233 H SER 28 H SER 28 -27.181 19.360 -3.659 234 HA SER 28 HA SER 28 -29.307 20.302 -1.940 235 HB2 SER 28 1HB SER 28 -27.157 18.582 -1.595 236 HB3 SER 28 2HB SER 28 -26.688 20.017 -0.684 237 HG SER 28 HG SER 28 -28.560 19.843 0.516 238 H GLU 29 H GLU 29 -26.006 21.356 -2.756 239 HA GLU 29 HA GLU 29 -26.027 23.721 -1.254 240 HB2 GLU 29 1HB GLU 29 -24.475 22.828 -3.666 241 HB3 GLU 29 2HB GLU 29 -24.270 24.448 -3.013 242 HG2 GLU 29 1HG GLU 29 -24.027 22.917 -0.776 243 HG3 GLU 29 2HG GLU 29 -23.315 21.876 -2.008 244 H ALA 30 H ALA 30 -27.558 22.917 -4.222 245 HA ALA 30 HA ALA 30 -27.903 25.663 -5.077 246 HB1 ALA 30 1HB ALA 30 -29.423 24.526 -6.806 247 HB2 ALA 30 2HB ALA 30 -27.691 24.197 -6.878 248 HB3 ALA 30 3HB ALA 30 -28.785 23.012 -6.165 249 H GLU 31 H GLU 31 -30.257 23.049 -4.462 250 HA GLU 31 HA GLU 31 -32.506 24.620 -4.217 251 HB2 GLU 31 1HB GLU 31 -31.936 22.113 -2.627 252 HB3 GLU 31 2HB GLU 31 -33.521 22.779 -2.997 253 HG2 GLU 31 1HG GLU 31 -31.927 22.304 -5.377 254 HG3 GLU 31 2HG GLU 31 -32.190 20.844 -4.426 255 H ALA 32 H ALA 32 -29.965 24.061 -1.898 256 HA ALA 32 HA ALA 32 -31.345 25.036 0.388 257 HB1 ALA 32 1HB ALA 32 -28.382 24.852 -0.141 258 HB2 ALA 32 2HB ALA 32 -29.132 25.136 1.430 259 HB3 ALA 32 3HB ALA 32 -29.388 23.604 0.595 260 H GLU 33 H GLU 33 -28.535 26.544 -1.203 261 HA GLU 33 HA GLU 33 -28.863 29.074 -0.143 262 HB2 GLU 33 1HB GLU 33 -27.623 28.135 -2.719 263 HB3 GLU 33 2HB GLU 33 -27.620 29.833 -2.262 264 HG2 GLU 33 1HG GLU 33 -26.337 29.375 -0.302 265 HG3 GLU 33 2HG GLU 33 -26.490 27.637 -0.547 266 H LYS 34 H LYS 34 -30.231 27.721 -3.111 267 HA LYS 34 HA LYS 34 -31.383 30.034 -4.153 268 HB2 LYS 34 1HB LYS 34 -31.309 28.076 -5.510 269 HB3 LYS 34 2HB LYS 34 -32.211 27.139 -4.326 270 HG2 LYS 34 1HG LYS 34 -34.178 28.588 -4.754 271 HG3 LYS 34 2HG LYS 34 -33.261 29.383 -6.036 272 HD2 LYS 34 1HD LYS 34 -33.217 26.484 -6.265 273 HD3 LYS 34 2HD LYS 34 -34.854 27.141 -6.312 274 HE2 LYS 34 1HE LYS 34 -34.300 28.571 -8.145 275 HE3 LYS 34 2HE LYS 34 -32.588 28.176 -8.006 276 HZ1 LYS 34 3HZ LYS 34 -34.046 27.016 -9.789 277 HZ2 LYS 34 1HZ LYS 34 -34.525 26.023 -8.505 278 HZ3 LYS 34 2HZ LYS 34 -32.893 26.118 -8.937 279 H ALA 35 H ALA 35 -33.085 27.495 -2.307 280 HA ALA 35 HA ALA 35 -35.444 28.932 -1.907 281 HB1 ALA 35 1HB ALA 35 -35.985 27.311 -0.212 282 HB2 ALA 35 2HB ALA 35 -35.183 26.495 -1.555 283 HB3 ALA 35 3HB ALA 35 -34.292 26.836 -0.072 284 H LYS 36 H LYS 36 -32.369 29.344 -0.493 285 HA LYS 36 HA LYS 36 -33.312 30.580 1.942 286 HB2 LYS 36 1HB LYS 36 -31.129 29.312 1.707 287 HB3 LYS 36 2HB LYS 36 -30.523 30.687 0.793 288 HG2 LYS 36 1HG LYS 36 -30.320 31.995 2.627 289 HG3 LYS 36 2HG LYS 36 -31.712 31.270 3.435 290 HD2 LYS 36 1HD LYS 36 -29.719 30.677 4.644 291 HD3 LYS 36 2HD LYS 36 -30.346 29.234 3.842 292 HE2 LYS 36 1HE LYS 36 -28.587 30.470 2.023 293 HE3 LYS 36 2HE LYS 36 -27.777 30.481 3.589 294 HZ1 LYS 36 3HZ LYS 36 -27.537 28.268 3.570 295 HZ2 LYS 36 1HZ LYS 36 -27.779 28.402 1.901 296 HZ3 LYS 36 2HZ LYS 36 -29.070 27.986 2.911 297 H ILE 37 H ILE 37 -31.582 31.711 -0.963 298 HA ILE 37 HA ILE 37 -31.846 34.467 -0.270 299 HB ILE 37 HB ILE 37 -31.096 34.885 -2.617 300 HG12 ILE 37 1HG1 ILE 37 -30.378 32.067 -3.040 301 HG13 ILE 37 2HG1 ILE 37 -32.107 32.386 -3.123 302 HG21 ILE 37 1HG2 ILE 37 -28.923 33.316 -2.162 303 HG22 ILE 37 2HG2 ILE 37 -29.216 34.876 -1.394 304 HG23 ILE 37 3HG2 ILE 37 -29.649 33.385 -0.557 305 HD11 ILE 37 3HD1 ILE 37 -31.620 34.174 -4.785 306 HD12 ILE 37 1HD1 ILE 37 -29.939 33.644 -4.781 307 HD13 ILE 37 2HD1 ILE 37 -31.209 32.544 -5.319 308 H LEU 38 H LEU 38 -33.765 32.188 -2.071 309 HA LEU 38 HA LEU 38 -35.345 34.029 -3.518 310 HB2 LEU 38 1HB LEU 38 -35.483 31.167 -2.814 311 HB3 LEU 38 2HB LEU 38 -37.017 31.940 -3.209 312 HG LEU 38 HG LEU 38 -36.003 30.804 -5.138 313 HD11 LEU 38 1HD1 LEU 38 -37.210 32.331 -6.208 314 HD12 LEU 38 2HD1 LEU 38 -35.732 33.279 -6.367 315 HD13 LEU 38 3HD1 LEU 38 -36.824 33.571 -5.014 316 HD21 LEU 38 3HD2 LEU 38 -33.731 32.645 -4.502 317 HD22 LEU 38 1HD2 LEU 38 -34.001 32.090 -6.154 318 HD23 LEU 38 2HD2 LEU 38 -33.704 30.920 -4.869 319 H GLU 39 H GLU 39 -35.654 32.608 -0.306 320 HA GLU 39 HA GLU 39 -38.177 33.991 0.148 321 HB2 GLU 39 1HB GLU 39 -38.258 32.794 2.253 322 HB3 GLU 39 2HB GLU 39 -37.881 31.672 0.953 323 HG2 GLU 39 1HG GLU 39 -36.416 31.013 2.591 324 HG3 GLU 39 2HG GLU 39 -35.418 32.105 1.632 325 H LYS 40 H LYS 40 -34.802 34.253 0.943 326 HA LYS 40 HA LYS 40 -35.148 36.142 3.072 327 HB2 LYS 40 1HB LYS 40 -33.165 34.702 2.952 328 HB3 LYS 40 2HB LYS 40 -32.700 35.457 1.433 329 HG2 LYS 40 1HG LYS 40 -31.378 36.364 3.223 330 HG3 LYS 40 2HG LYS 40 -32.465 37.611 2.607 331 HD2 LYS 40 1HD LYS 40 -34.010 37.148 4.472 332 HD3 LYS 40 2HD LYS 40 -32.870 35.956 5.099 333 HE2 LYS 40 1HE LYS 40 -31.165 37.842 5.145 334 HE3 LYS 40 2HE LYS 40 -32.522 38.935 4.874 335 HZ1 LYS 40 3HZ LYS 40 -33.053 37.107 6.993 336 HZ2 LYS 40 1HZ LYS 40 -33.101 38.798 6.998 337 HZ3 LYS 40 2HZ LYS 40 -31.643 37.993 7.292 338 H ALA 41 H ALA 41 -34.235 36.351 -0.350 339 HA ALA 41 HA ALA 41 -33.934 39.188 -0.333 340 HB1 ALA 41 1HB ALA 41 -34.464 37.528 -2.779 341 HB2 ALA 41 2HB ALA 41 -33.540 39.025 -2.639 342 HB3 ALA 41 3HB ALA 41 -32.898 37.527 -1.966 343 H LYS 42 H LYS 42 -36.485 36.999 -1.495 344 HA LYS 42 HA LYS 42 -38.225 38.965 -2.467 345 HB2 LYS 42 1HB LYS 42 -38.428 36.533 -2.929 346 HB3 LYS 42 2HB LYS 42 -38.958 36.286 -1.271 347 HG2 LYS 42 1HG LYS 42 -40.930 36.321 -2.499 348 HG3 LYS 42 2HG LYS 42 -40.827 37.945 -1.817 349 HD2 LYS 42 1HD LYS 42 -39.558 37.575 -4.454 350 HD3 LYS 42 2HD LYS 42 -41.317 37.436 -4.421 351 HE2 LYS 42 1HE LYS 42 -41.518 39.644 -4.302 352 HE3 LYS 42 2HE LYS 42 -40.531 39.681 -2.843 353 HZ1 LYS 42 3HZ LYS 42 -39.161 39.408 -5.413 354 HZ2 LYS 42 1HZ LYS 42 -38.665 40.202 -4.004 355 HZ3 LYS 42 2HZ LYS 42 -39.806 40.923 -5.024 356 H GLU 43 H GLU 43 -37.551 37.896 0.762 357 HA GLU 43 HA GLU 43 -39.907 39.208 1.856 358 HB2 GLU 43 1HB GLU 43 -39.171 37.061 2.807 359 HB3 GLU 43 2HB GLU 43 -37.632 37.785 3.249 360 HG2 GLU 43 1HG GLU 43 -38.470 38.495 5.163 361 HG3 GLU 43 2HG GLU 43 -39.743 39.374 4.317 362 H GLU 44 H GLU 44 -36.368 39.490 2.104 363 HA GLU 44 HA GLU 44 -36.355 41.793 3.720 364 HB2 GLU 44 1HB GLU 44 -34.343 40.566 3.612 365 HB3 GLU 44 2HB GLU 44 -34.331 40.581 1.854 366 HG2 GLU 44 1HG GLU 44 -33.852 42.961 1.857 367 HG3 GLU 44 2HG GLU 44 -33.915 42.984 3.618 368 H ALA 45 H ALA 45 -36.696 41.339 0.282 369 HA ALA 45 HA ALA 45 -36.200 44.074 -0.419 370 HB1 ALA 45 1HB ALA 45 -35.794 42.347 -2.050 371 HB2 ALA 45 2HB ALA 45 -37.478 41.830 -1.974 372 HB3 ALA 45 3HB ALA 45 -37.071 43.413 -2.637 373 H GLU 46 H GLU 46 -39.124 42.063 -0.141 374 HA GLU 46 HA GLU 46 -40.918 44.193 -0.716 375 HB2 GLU 46 1HB GLU 46 -41.295 41.474 0.529 376 HB3 GLU 46 2HB GLU 46 -42.629 42.593 0.291 377 HG2 GLU 46 1HG GLU 46 -40.850 41.547 -1.899 378 HG3 GLU 46 2HG GLU 46 -42.441 40.905 -1.491 379 H LYS 47 H LYS 47 -39.353 43.057 2.161 380 HA LYS 47 HA LYS 47 -41.102 44.588 3.912 381 HB2 LYS 47 1HB LYS 47 -38.713 42.820 4.442 382 HB3 LYS 47 2HB LYS 47 -39.545 43.717 5.705 383 HG2 LYS 47 1HG LYS 47 -40.742 41.583 3.950 384 HG3 LYS 47 2HG LYS 47 -40.305 41.423 5.653 385 HD2 LYS 47 1HD LYS 47 -42.414 43.250 4.504 386 HD3 LYS 47 2HD LYS 47 -42.695 41.776 5.432 387 HE2 LYS 47 1HE LYS 47 -40.971 43.369 6.978 388 HE3 LYS 47 2HE LYS 47 -42.219 44.450 6.360 389 HZ1 LYS 47 3HZ LYS 47 -43.857 42.734 7.168 390 HZ2 LYS 47 1HZ LYS 47 -43.036 43.596 8.371 391 HZ3 LYS 47 2HZ LYS 47 -42.573 42.012 8.001 392 H ARG 48 H ARG 48 -37.574 44.427 3.383 393 HA ARG 48 HA ARG 48 -35.955 46.023 3.437 394 HB2 ARG 48 1HB ARG 48 -37.857 47.091 1.888 395 HB3 ARG 48 2HB ARG 48 -37.902 48.256 3.204 396 HG2 ARG 48 1HG ARG 48 -35.937 49.168 2.634 397 HG3 ARG 48 2HG ARG 48 -35.213 47.609 2.236 398 HD2 ARG 48 1HD ARG 48 -36.665 47.641 0.151 399 HD3 ARG 48 2HD ARG 48 -36.985 49.333 0.526 400 HE ARG 48 HE ARG 48 -34.219 48.947 0.536 401 HH11 ARG 48 1HH1 ARG 48 -36.886 48.895 -1.701 402 HH12 ARG 48 2HH1 ARG 48 -35.924 49.367 -3.062 403 HH21 ARG 48 1HH2 ARG 48 -32.941 49.570 -1.248 404 HH22 ARG 48 2HH2 ARG 48 -33.680 49.750 -2.804 405 H LYS 49 H LYS 49 -36.831 45.144 5.879 406 HA LYS 49 HA LYS 49 -37.531 47.263 7.648 407 HB2 LYS 49 1HB LYS 49 -37.042 45.661 9.435 408 HB3 LYS 49 2HB LYS 49 -38.027 44.925 8.177 409 HG2 LYS 49 1HG LYS 49 -35.918 43.957 7.227 410 HG3 LYS 49 2HG LYS 49 -35.089 44.528 8.677 411 HD2 LYS 49 1HD LYS 49 -37.179 43.233 9.791 412 HD3 LYS 49 2HD LYS 49 -36.966 42.280 8.321 413 HE2 LYS 49 1HE LYS 49 -34.426 42.853 9.564 414 HE3 LYS 49 2HE LYS 49 -35.522 42.069 10.701 415 HZ1 LYS 49 3HZ LYS 49 -34.262 40.428 9.497 416 HZ2 LYS 49 1HZ LYS 49 -34.769 41.059 8.012 417 HZ3 LYS 49 2HZ LYS 49 -35.888 40.322 9.044 418 H ALA 50 H ALA 50 -36.255 48.376 9.130 419 HA ALA 50 HA ALA 50 -34.416 49.470 9.908 420 HB1 ALA 50 1HB ALA 50 -32.591 48.219 10.476 421 HB2 ALA 50 2HB ALA 50 -33.761 46.932 10.185 422 HB3 ALA 50 3HB ALA 50 -32.575 47.342 8.946 423 H GLU 51 H GLU 51 -31.931 49.932 9.087 424 HA GLU 51 HA GLU 51 -32.333 51.298 6.575 425 HB2 GLU 51 1HB GLU 51 -30.345 51.376 8.767 426 HB3 GLU 51 2HB GLU 51 -29.748 51.800 7.169 427 HG2 GLU 51 1HG GLU 51 -32.272 53.090 7.888 428 HG3 GLU 51 2HG GLU 51 -30.909 53.524 8.918 429 H ILE 52 H ILE 52 -29.705 49.195 7.763 430 HA ILE 52 HA ILE 52 -29.170 48.393 4.999 431 HB ILE 52 HB ILE 52 -27.549 47.866 7.493 432 HG12 ILE 52 1HG1 ILE 52 -27.605 50.245 6.938 433 HG13 ILE 52 2HG1 ILE 52 -26.016 49.574 6.587 434 HG21 ILE 52 1HG2 ILE 52 -26.452 46.374 6.270 435 HG22 ILE 52 2HG2 ILE 52 -27.441 46.748 4.858 436 HG23 ILE 52 3HG2 ILE 52 -25.974 47.673 5.177 437 HD11 ILE 52 3HD1 ILE 52 -26.743 49.371 4.198 438 HD12 ILE 52 1HD1 ILE 52 -28.181 50.294 4.635 439 HD13 ILE 52 2HD1 ILE 52 -26.582 51.019 4.805 Start of MODEL 15 1 H1 MET 1 H MET 1 -16.603 -11.979 2.086 2 HA MET 1 HA MET 1 -15.301 -11.435 -0.227 3 HB2 MET 1 1HB MET 1 -17.622 -11.203 -1.276 4 HB3 MET 1 2HB MET 1 -17.283 -12.688 -0.398 5 HG2 MET 1 1HG MET 1 -18.414 -10.665 1.328 6 HG3 MET 1 2HG MET 1 -19.452 -11.004 -0.055 7 HE1 MET 1 3HE MET 1 -21.318 -12.991 2.519 8 HE2 MET 1 1HE MET 1 -20.140 -12.003 3.383 9 HE3 MET 1 2HE MET 1 -20.953 -11.359 1.956 10 H ALA 2 H ALA 2 -15.133 -9.171 1.695 11 HA ALA 2 HA ALA 2 -16.483 -6.909 0.746 12 HB1 ALA 2 1HB ALA 2 -13.715 -6.740 1.872 13 HB2 ALA 2 2HB ALA 2 -15.084 -5.652 2.104 14 HB3 ALA 2 3HB ALA 2 -15.072 -7.232 2.886 15 H VAL 3 H VAL 3 -13.731 -8.616 -0.490 16 HA VAL 3 HA VAL 3 -13.675 -6.829 -2.795 17 HB VAL 3 HB VAL 3 -11.116 -7.585 -1.386 18 HG11 VAL 3 1HG1 VAL 3 -9.995 -6.501 -3.036 19 HG12 VAL 3 2HG1 VAL 3 -11.412 -6.984 -3.970 20 HG13 VAL 3 3HG1 VAL 3 -11.299 -5.349 -3.318 21 HG21 VAL 3 3HG2 VAL 3 -10.984 -5.212 -0.717 22 HG22 VAL 3 1HG2 VAL 3 -12.621 -4.972 -1.327 23 HG23 VAL 3 2HG2 VAL 3 -12.338 -6.055 0.036 24 H LYS 4 H LYS 4 -11.597 -9.445 -1.555 25 HA LYS 4 HA LYS 4 -11.054 -11.489 -2.395 26 HB2 LYS 4 1HB LYS 4 -13.734 -11.402 -2.622 27 HB3 LYS 4 2HB LYS 4 -13.308 -11.549 -4.322 28 HG2 LYS 4 1HG LYS 4 -12.934 -13.717 -4.093 29 HG3 LYS 4 2HG LYS 4 -11.791 -13.427 -2.779 30 HD2 LYS 4 1HD LYS 4 -14.781 -13.456 -2.403 31 HD3 LYS 4 2HD LYS 4 -13.762 -14.882 -2.197 32 HE2 LYS 4 1HE LYS 4 -12.467 -13.673 -0.483 33 HE3 LYS 4 2HE LYS 4 -13.547 -12.292 -0.664 34 HZ1 LYS 4 3HZ LYS 4 -13.954 -14.041 1.196 35 HZ2 LYS 4 1HZ LYS 4 -14.689 -14.926 -0.045 36 HZ3 LYS 4 2HZ LYS 4 -15.265 -13.386 0.351 37 H LEU 5 H LEU 5 -10.663 -8.780 -3.913 38 HA LEU 5 HA LEU 5 -9.334 -10.022 -6.196 39 HB2 LEU 5 1HB LEU 5 -11.717 -8.450 -6.386 40 HB3 LEU 5 2HB LEU 5 -10.385 -7.584 -7.148 41 HG LEU 5 HG LEU 5 -11.568 -8.858 -8.810 42 HD11 LEU 5 1HD1 LEU 5 -9.745 -10.202 -9.704 43 HD12 LEU 5 2HD1 LEU 5 -8.941 -10.175 -8.134 44 HD13 LEU 5 3HD1 LEU 5 -9.144 -8.680 -9.047 45 HD21 LEU 5 3HD2 LEU 5 -12.086 -10.650 -6.826 46 HD22 LEU 5 1HD2 LEU 5 -10.864 -11.504 -7.768 47 HD23 LEU 5 2HD2 LEU 5 -12.345 -10.945 -8.546 48 H MET 6 H MET 6 -8.320 -7.894 -7.472 49 HA MET 6 HA MET 6 -6.225 -7.051 -5.803 50 HB2 MET 6 1HB MET 6 -7.075 -5.670 -8.345 51 HB3 MET 6 2HB MET 6 -5.463 -5.746 -7.648 52 HG2 MET 6 1HG MET 6 -5.905 -8.358 -7.978 53 HG3 MET 6 2HG MET 6 -6.929 -7.730 -9.266 54 HE1 MET 6 3HE MET 6 -4.524 -6.042 -11.700 55 HE2 MET 6 1HE MET 6 -6.155 -6.635 -11.381 56 HE3 MET 6 2HE MET 6 -5.529 -5.252 -10.484 57 H GLY 7 H GLY 7 -9.398 -5.868 -6.165 58 HA2 GLY 7 1HA GLY 7 -9.877 -4.285 -4.220 59 HA3 GLY 7 2HA GLY 7 -8.647 -3.278 -4.970 60 H VAL 8 H VAL 8 -11.094 -5.175 -6.658 61 HA VAL 8 HA VAL 8 -11.836 -3.070 -8.360 62 HB VAL 8 HB VAL 8 -13.430 -5.539 -7.659 63 HG11 VAL 8 1HG1 VAL 8 -13.916 -3.301 -9.461 64 HG12 VAL 8 2HG1 VAL 8 -13.992 -4.871 -10.263 65 HG13 VAL 8 3HG1 VAL 8 -15.022 -4.541 -8.870 66 HG21 VAL 8 3HG2 VAL 8 -11.288 -5.020 -9.704 67 HG22 VAL 8 1HG2 VAL 8 -11.348 -6.282 -8.473 68 HG23 VAL 8 2HG2 VAL 8 -12.439 -6.348 -9.857 69 H ASP 9 H ASP 9 -13.082 -4.118 -5.260 70 HA ASP 9 HA ASP 9 -15.495 -2.629 -5.329 71 HB2 ASP 9 1HB ASP 9 -13.904 -4.014 -3.219 72 HB3 ASP 9 2HB ASP 9 -15.131 -2.859 -2.709 73 H LYS 10 H LYS 10 -12.202 -1.840 -4.546 74 HA LYS 10 HA LYS 10 -12.812 0.610 -3.182 75 HB2 LYS 10 1HB LYS 10 -10.442 -0.941 -3.832 76 HB3 LYS 10 2HB LYS 10 -10.181 0.779 -4.091 77 HG2 LYS 10 1HG LYS 10 -10.185 1.237 -1.900 78 HG3 LYS 10 2HG LYS 10 -11.517 0.127 -1.568 79 HD2 LYS 10 1HD LYS 10 -9.570 -0.689 -0.439 80 HD3 LYS 10 2HD LYS 10 -9.901 -1.763 -1.801 81 HE2 LYS 10 1HE LYS 10 -7.787 -1.459 -2.427 82 HE3 LYS 10 2HE LYS 10 -8.227 0.197 -2.842 83 HZ1 LYS 10 3HZ LYS 10 -7.811 0.484 -0.253 84 HZ2 LYS 10 1HZ LYS 10 -6.569 0.633 -1.392 85 HZ3 LYS 10 2HZ LYS 10 -6.761 -0.812 -0.535 86 H ILE 11 H ILE 11 -11.480 -0.185 -6.388 87 HA ILE 11 HA ILE 11 -11.416 2.485 -7.317 88 HB ILE 11 HB ILE 11 -11.222 1.485 -9.581 89 HG12 ILE 11 1HG1 ILE 11 -10.849 -1.149 -9.340 90 HG13 ILE 11 2HG1 ILE 11 -12.034 -0.940 -8.056 91 HG21 ILE 11 1HG2 ILE 11 -9.483 0.960 -7.300 92 HG22 ILE 11 2HG2 ILE 11 -9.224 -0.146 -8.648 93 HG23 ILE 11 3HG2 ILE 11 -9.096 1.595 -8.899 94 HD11 ILE 11 3HD1 ILE 11 -13.675 -0.880 -9.531 95 HD12 ILE 11 1HD1 ILE 11 -12.903 0.447 -10.398 96 HD13 ILE 11 2HD1 ILE 11 -12.500 -1.222 -10.800 97 H LYS 12 H LYS 12 -13.845 -0.061 -7.483 98 HA LYS 12 HA LYS 12 -15.597 1.333 -9.245 99 HB2 LYS 12 1HB LYS 12 -15.780 -1.053 -9.102 100 HB3 LYS 12 2HB LYS 12 -16.027 -0.987 -7.362 101 HG2 LYS 12 1HG LYS 12 -17.989 0.518 -8.941 102 HG3 LYS 12 2HG LYS 12 -18.005 -1.229 -9.192 103 HD2 LYS 12 1HD LYS 12 -19.056 -1.528 -7.256 104 HD3 LYS 12 2HD LYS 12 -17.768 -0.681 -6.395 105 HE2 LYS 12 1HE LYS 12 -18.935 1.250 -6.287 106 HE3 LYS 12 2HE LYS 12 -19.647 1.030 -7.885 107 HZ1 LYS 12 3HZ LYS 12 -21.461 0.093 -7.020 108 HZ2 LYS 12 1HZ LYS 12 -20.957 0.741 -5.540 109 HZ3 LYS 12 2HZ LYS 12 -20.586 -0.862 -5.933 110 H SER 13 H SER 13 -15.059 1.362 -5.819 111 HA SER 13 HA SER 13 -17.543 2.786 -5.290 112 HB2 SER 13 1HB SER 13 -16.949 2.615 -2.950 113 HB3 SER 13 2HB SER 13 -16.695 1.044 -3.709 114 HG SER 13 HG SER 13 -14.462 1.588 -3.856 115 H LYS 14 H LYS 14 -14.186 3.415 -5.807 116 HA LYS 14 HA LYS 14 -13.944 5.905 -4.529 117 HB2 LYS 14 1HB LYS 14 -12.182 4.321 -5.724 118 HB3 LYS 14 2HB LYS 14 -12.489 5.393 -7.083 119 HG2 LYS 14 1HG LYS 14 -11.453 6.155 -4.364 120 HG3 LYS 14 2HG LYS 14 -10.577 6.191 -5.896 121 HD2 LYS 14 1HD LYS 14 -12.990 7.871 -5.216 122 HD3 LYS 14 2HD LYS 14 -11.316 8.430 -5.200 123 HE2 LYS 14 1HE LYS 14 -11.917 7.163 -7.707 124 HE3 LYS 14 2HE LYS 14 -13.107 8.417 -7.362 125 HZ1 LYS 14 3HZ LYS 14 -10.962 9.769 -6.768 126 HZ2 LYS 14 1HZ LYS 14 -11.492 9.641 -8.370 127 HZ3 LYS 14 2HZ LYS 14 -10.225 8.666 -7.818 128 H ILE 15 H ILE 15 -14.192 5.389 -8.050 129 HA ILE 15 HA ILE 15 -14.850 8.024 -8.683 130 HB ILE 15 HB ILE 15 -15.747 5.602 -10.241 131 HG12 ILE 15 1HG1 ILE 15 -13.347 6.695 -11.292 132 HG13 ILE 15 2HG1 ILE 15 -13.091 6.439 -9.570 133 HG21 ILE 15 1HG2 ILE 15 -14.833 8.103 -11.532 134 HG22 ILE 15 2HG2 ILE 15 -16.110 6.982 -12.003 135 HG23 ILE 15 3HG2 ILE 15 -16.393 8.148 -10.711 136 HD11 ILE 15 3HD1 ILE 15 -14.287 4.109 -10.299 137 HD12 ILE 15 1HD1 ILE 15 -13.354 4.507 -11.742 138 HD13 ILE 15 2HD1 ILE 15 -12.546 4.365 -10.180 139 H LEU 16 H LEU 16 -16.927 5.262 -7.941 140 HA LEU 16 HA LEU 16 -19.390 6.455 -8.560 141 HB2 LEU 16 1HB LEU 16 -18.877 4.013 -8.056 142 HB3 LEU 16 2HB LEU 16 -18.966 4.459 -6.353 143 HG LEU 16 HG LEU 16 -21.035 3.407 -7.278 144 HD11 LEU 16 1HD1 LEU 16 -22.254 4.525 -5.768 145 HD12 LEU 16 2HD1 LEU 16 -21.952 6.086 -6.530 146 HD13 LEU 16 3HD1 LEU 16 -20.753 5.390 -5.440 147 HD21 LEU 16 3HD2 LEU 16 -22.098 4.198 -9.073 148 HD22 LEU 16 1HD2 LEU 16 -20.634 5.128 -9.391 149 HD23 LEU 16 2HD2 LEU 16 -21.974 5.867 -8.514 150 H ASP 17 H ASP 17 -17.904 6.009 -5.345 151 HA ASP 17 HA ASP 17 -19.744 7.621 -3.965 152 HB2 ASP 17 1HB ASP 17 -18.072 5.939 -3.004 153 HB3 ASP 17 2HB ASP 17 -16.875 7.225 -3.128 154 H ASP 18 H ASP 18 -16.704 8.372 -5.570 155 HA ASP 18 HA ASP 18 -16.420 11.007 -4.603 156 HB2 ASP 18 1HB ASP 18 -14.622 9.673 -5.723 157 HB3 ASP 18 2HB ASP 18 -15.454 9.924 -7.255 158 H ALA 19 H ALA 19 -17.586 9.879 -7.782 159 HA ALA 19 HA ALA 19 -18.442 12.365 -8.720 160 HB1 ALA 19 1HB ALA 19 -19.741 11.133 -10.359 161 HB2 ALA 19 2HB ALA 19 -18.157 10.387 -10.146 162 HB3 ALA 19 3HB ALA 19 -19.582 9.658 -9.405 163 H LYS 20 H LYS 20 -20.095 9.957 -6.751 164 HA LYS 20 HA LYS 20 -22.676 11.078 -6.870 165 HB2 LYS 20 1HB LYS 20 -21.282 9.253 -4.938 166 HB3 LYS 20 2HB LYS 20 -22.894 9.857 -4.581 167 HG2 LYS 20 1HG LYS 20 -22.152 8.339 -7.072 168 HG3 LYS 20 2HG LYS 20 -22.886 7.624 -5.634 169 HD2 LYS 20 1HD LYS 20 -24.092 9.800 -7.345 170 HD3 LYS 20 2HD LYS 20 -24.565 8.099 -7.347 171 HE2 LYS 20 1HE LYS 20 -24.814 10.057 -5.067 172 HE3 LYS 20 2HE LYS 20 -26.127 9.355 -6.011 173 HZ1 LYS 20 3HZ LYS 20 -24.965 7.149 -5.137 174 HZ2 LYS 20 1HZ LYS 20 -26.178 7.946 -4.268 175 HZ3 LYS 20 2HZ LYS 20 -24.553 8.182 -3.862 176 H ALA 21 H ALA 21 -20.049 11.492 -4.513 177 HA ALA 21 HA ALA 21 -21.390 13.238 -2.781 178 HB1 ALA 21 1HB ALA 21 -18.430 13.224 -3.348 179 HB2 ALA 21 2HB ALA 21 -19.238 13.783 -1.882 180 HB3 ALA 21 3HB ALA 21 -19.246 12.068 -2.294 181 H GLU 22 H GLU 22 -19.403 13.885 -5.643 182 HA GLU 22 HA GLU 22 -19.310 16.667 -5.463 183 HB2 GLU 22 1HB GLU 22 -18.401 14.772 -7.247 184 HB3 GLU 22 2HB GLU 22 -19.579 15.664 -8.199 185 HG2 GLU 22 1HG GLU 22 -18.389 17.629 -8.085 186 HG3 GLU 22 2HG GLU 22 -17.540 17.153 -6.615 187 H ALA 23 H ALA 23 -21.719 14.558 -6.980 188 HA ALA 23 HA ALA 23 -23.335 16.768 -7.868 189 HB1 ALA 23 1HB ALA 23 -23.468 14.885 -9.249 190 HB2 ALA 23 2HB ALA 23 -23.693 13.789 -7.886 191 HB3 ALA 23 3HB ALA 23 -24.992 14.884 -8.361 192 H ASN 24 H ASN 24 -23.022 14.930 -4.991 193 HA ASN 24 HA ASN 24 -25.699 15.441 -4.036 194 HB2 ASN 24 1HB ASN 24 -23.292 14.022 -3.014 195 HB3 ASN 24 2HB ASN 24 -24.440 14.622 -1.821 196 HD21 ASN 24 2HD2 ASN 24 -23.672 11.885 -2.800 197 HD22 ASN 24 1HD2 ASN 24 -25.178 11.127 -3.176 198 H LYS 25 H LYS 25 -22.677 17.052 -4.028 199 HA LYS 25 HA LYS 25 -23.339 18.732 -1.747 200 HB2 LYS 25 1HB LYS 25 -20.944 17.903 -2.945 201 HB3 LYS 25 2HB LYS 25 -21.057 19.625 -3.285 202 HG2 LYS 25 1HG LYS 25 -19.829 19.240 -1.238 203 HG3 LYS 25 2HG LYS 25 -21.347 20.075 -0.897 204 HD2 LYS 25 1HD LYS 25 -22.324 18.166 0.029 205 HD3 LYS 25 2HD LYS 25 -21.149 17.086 -0.725 206 HE2 LYS 25 1HE LYS 25 -20.021 19.090 1.110 207 HE3 LYS 25 2HE LYS 25 -21.063 17.884 1.865 208 HZ1 LYS 25 3HZ LYS 25 -18.416 17.598 0.820 209 HZ2 LYS 25 1HZ LYS 25 -19.472 16.435 0.192 210 HZ3 LYS 25 2HZ LYS 25 -19.276 16.584 1.866 211 H ILE 26 H ILE 26 -23.066 18.954 -5.256 212 HA ILE 26 HA ILE 26 -23.475 21.749 -5.441 213 HB ILE 26 HB ILE 26 -23.926 21.382 -7.797 214 HG12 ILE 26 1HG1 ILE 26 -23.620 18.700 -8.299 215 HG13 ILE 26 2HG1 ILE 26 -24.599 18.689 -6.836 216 HG21 ILE 26 1HG2 ILE 26 -21.601 20.575 -6.427 217 HG22 ILE 26 2HG2 ILE 26 -21.850 19.422 -7.737 218 HG23 ILE 26 3HG2 ILE 26 -21.740 21.146 -8.090 219 HD11 ILE 26 3HD1 ILE 26 -25.985 18.619 -8.822 220 HD12 ILE 26 1HD1 ILE 26 -26.245 20.117 -7.930 221 HD13 ILE 26 2HD1 ILE 26 -25.264 20.122 -9.396 222 H ILE 27 H ILE 27 -25.641 19.012 -5.225 223 HA ILE 27 HA ILE 27 -27.997 20.453 -5.972 224 HB ILE 27 HB ILE 27 -29.216 18.489 -5.047 225 HG12 ILE 27 1HG1 ILE 27 -27.119 16.637 -4.753 226 HG13 ILE 27 2HG1 ILE 27 -26.650 18.041 -3.800 227 HG21 ILE 27 1HG2 ILE 27 -26.972 18.024 -6.995 228 HG22 ILE 27 2HG2 ILE 27 -28.238 16.838 -6.683 229 HG23 ILE 27 3HG2 ILE 27 -28.654 18.418 -7.346 230 HD11 ILE 27 3HD1 ILE 27 -29.181 17.803 -2.990 231 HD12 ILE 27 1HD1 ILE 27 -28.849 16.120 -3.397 232 HD13 ILE 27 2HD1 ILE 27 -27.837 16.959 -2.221 233 H SER 28 H SER 28 -26.328 19.773 -2.971 234 HA SER 28 HA SER 28 -28.487 20.758 -1.324 235 HB2 SER 28 1HB SER 28 -25.890 19.451 -0.892 236 HB3 SER 28 2HB SER 28 -26.291 20.667 0.320 237 HG SER 28 HG SER 28 -27.141 18.694 0.959 238 H GLU 29 H GLU 29 -25.194 21.841 -2.138 239 HA GLU 29 HA GLU 29 -25.280 24.269 -0.746 240 HB2 GLU 29 1HB GLU 29 -23.693 23.331 -3.123 241 HB3 GLU 29 2HB GLU 29 -23.511 24.960 -2.489 242 HG2 GLU 29 1HG GLU 29 -23.343 23.174 -0.304 243 HG3 GLU 29 2HG GLU 29 -22.310 22.551 -1.589 244 H ALA 30 H ALA 30 -26.735 23.311 -3.715 245 HA ALA 30 HA ALA 30 -27.148 26.018 -4.663 246 HB1 ALA 30 1HB ALA 30 -28.486 24.876 -6.451 247 HB2 ALA 30 2HB ALA 30 -26.796 24.378 -6.351 248 HB3 ALA 30 3HB ALA 30 -28.062 23.341 -5.693 249 H GLU 31 H GLU 31 -29.414 23.341 -3.993 250 HA GLU 31 HA GLU 31 -31.730 24.827 -3.865 251 HB2 GLU 31 1HB GLU 31 -32.741 22.989 -2.768 252 HB3 GLU 31 2HB GLU 31 -31.493 22.305 -3.799 253 HG2 GLU 31 1HG GLU 31 -29.996 22.256 -1.787 254 HG3 GLU 31 2HG GLU 31 -31.404 22.693 -0.821 255 H ALA 32 H ALA 32 -29.225 24.465 -1.466 256 HA ALA 32 HA ALA 32 -30.666 25.447 0.763 257 HB1 ALA 32 1HB ALA 32 -28.656 24.225 1.145 258 HB2 ALA 32 2HB ALA 32 -27.713 25.360 0.177 259 HB3 ALA 32 3HB ALA 32 -28.394 25.871 1.722 260 H GLU 33 H GLU 33 -27.991 27.123 -0.891 261 HA GLU 33 HA GLU 33 -28.546 29.657 0.072 262 HB2 GLU 33 1HB GLU 33 -27.212 30.505 -1.815 263 HB3 GLU 33 2HB GLU 33 -26.452 29.122 -1.042 264 HG2 GLU 33 1HG GLU 33 -27.601 27.738 -2.882 265 HG3 GLU 33 2HG GLU 33 -27.798 29.283 -3.706 266 H LYS 34 H LYS 34 -29.774 28.059 -2.830 267 HA LYS 34 HA LYS 34 -31.100 30.227 -3.983 268 HB2 LYS 34 1HB LYS 34 -30.834 28.229 -5.258 269 HB3 LYS 34 2HB LYS 34 -31.675 27.267 -4.049 270 HG2 LYS 34 1HG LYS 34 -33.748 28.527 -4.563 271 HG3 LYS 34 2HG LYS 34 -32.878 29.346 -5.863 272 HD2 LYS 34 1HD LYS 34 -32.327 26.943 -6.669 273 HD3 LYS 34 2HD LYS 34 -33.679 26.468 -5.639 274 HE2 LYS 34 1HE LYS 34 -34.420 28.736 -7.225 275 HE3 LYS 34 2HE LYS 34 -33.769 27.473 -8.268 276 HZ1 LYS 34 3HZ LYS 34 -36.234 27.396 -7.794 277 HZ2 LYS 34 1HZ LYS 34 -35.834 26.915 -6.222 278 HZ3 LYS 34 2HZ LYS 34 -35.381 25.957 -7.540 279 H ALA 35 H ALA 35 -32.588 27.624 -2.044 280 HA ALA 35 HA ALA 35 -35.073 28.856 -1.726 281 HB1 ALA 35 1HB ALA 35 -33.753 26.947 0.198 282 HB2 ALA 35 2HB ALA 35 -35.481 27.265 0.039 283 HB3 ALA 35 3HB ALA 35 -34.606 26.471 -1.270 284 H LYS 36 H LYS 36 -32.065 29.607 -0.309 285 HA LYS 36 HA LYS 36 -33.149 30.854 2.062 286 HB2 LYS 36 1HB LYS 36 -30.447 30.399 0.918 287 HB3 LYS 36 2HB LYS 36 -30.634 31.788 1.981 288 HG2 LYS 36 1HG LYS 36 -31.214 30.456 3.811 289 HG3 LYS 36 2HG LYS 36 -31.564 29.057 2.794 290 HD2 LYS 36 1HD LYS 36 -29.476 28.659 3.884 291 HD3 LYS 36 2HD LYS 36 -29.135 29.000 2.185 292 HE2 LYS 36 1HE LYS 36 -28.827 31.439 2.981 293 HE3 LYS 36 2HE LYS 36 -28.686 30.732 4.590 294 HZ1 LYS 36 3HZ LYS 36 -26.573 31.098 3.191 295 HZ2 LYS 36 1HZ LYS 36 -27.049 29.696 2.371 296 HZ3 LYS 36 2HZ LYS 36 -26.747 29.641 4.034 297 H ILE 37 H ILE 37 -31.470 32.007 -0.865 298 HA ILE 37 HA ILE 37 -31.975 34.756 -0.301 299 HB ILE 37 HB ILE 37 -31.242 35.133 -2.660 300 HG12 ILE 37 1HG1 ILE 37 -30.267 32.389 -2.981 301 HG13 ILE 37 2HG1 ILE 37 -32.022 32.515 -3.034 302 HG21 ILE 37 1HG2 ILE 37 -29.658 35.094 -0.786 303 HG22 ILE 37 2HG2 ILE 37 -29.436 33.361 -1.020 304 HG23 ILE 37 3HG2 ILE 37 -28.929 34.492 -2.275 305 HD11 ILE 37 3HD1 ILE 37 -31.084 32.659 -5.255 306 HD12 ILE 37 1HD1 ILE 37 -31.834 34.191 -4.807 307 HD13 ILE 37 2HD1 ILE 37 -30.079 34.023 -4.766 308 H LEU 38 H LEU 38 -33.668 32.255 -2.042 309 HA LEU 38 HA LEU 38 -35.393 33.913 -3.548 310 HB2 LEU 38 1HB LEU 38 -35.285 31.063 -2.777 311 HB3 LEU 38 2HB LEU 38 -36.869 31.690 -3.229 312 HG LEU 38 HG LEU 38 -35.725 30.607 -5.108 313 HD11 LEU 38 1HD1 LEU 38 -36.990 32.022 -6.259 314 HD12 LEU 38 2HD1 LEU 38 -35.589 33.087 -6.368 315 HD13 LEU 38 3HD1 LEU 38 -36.758 33.299 -5.065 316 HD21 LEU 38 3HD2 LEU 38 -33.447 30.895 -4.766 317 HD22 LEU 38 1HD2 LEU 38 -33.609 32.624 -4.460 318 HD23 LEU 38 2HD2 LEU 38 -33.788 31.999 -6.099 319 H GLU 39 H GLU 39 -35.579 32.568 -0.300 320 HA GLU 39 HA GLU 39 -38.240 33.682 0.100 321 HB2 GLU 39 1HB GLU 39 -36.557 31.684 1.441 322 HB3 GLU 39 2HB GLU 39 -37.452 32.721 2.544 323 HG2 GLU 39 1HG GLU 39 -39.522 32.145 1.262 324 HG3 GLU 39 2HG GLU 39 -38.565 30.955 0.381 325 H LYS 40 H LYS 40 -34.918 34.336 0.896 326 HA LYS 40 HA LYS 40 -35.490 36.259 2.948 327 HB2 LYS 40 1HB LYS 40 -33.359 34.972 2.821 328 HB3 LYS 40 2HB LYS 40 -32.941 35.870 1.368 329 HG2 LYS 40 1HG LYS 40 -32.162 37.571 2.556 330 HG3 LYS 40 2HG LYS 40 -33.640 37.659 3.517 331 HD2 LYS 40 1HD LYS 40 -32.036 37.183 5.119 332 HD3 LYS 40 2HD LYS 40 -32.667 35.580 4.733 333 HE2 LYS 40 1HE LYS 40 -30.444 36.432 3.030 334 HE3 LYS 40 2HE LYS 40 -30.024 36.288 4.737 335 HZ1 LYS 40 3HZ LYS 40 -29.928 34.106 4.484 336 HZ2 LYS 40 1HZ LYS 40 -30.353 34.243 2.853 337 HZ3 LYS 40 2HZ LYS 40 -31.556 34.061 4.028 338 H ALA 41 H ALA 41 -34.490 36.437 -0.456 339 HA ALA 41 HA ALA 41 -34.452 39.269 -0.581 340 HB1 ALA 41 1HB ALA 41 -34.139 39.028 -2.906 341 HB2 ALA 41 2HB ALA 41 -33.320 37.651 -2.167 342 HB3 ALA 41 3HB ALA 41 -34.899 37.436 -2.922 343 H LYS 42 H LYS 42 -36.825 36.903 -1.808 344 HA LYS 42 HA LYS 42 -38.724 38.701 -2.732 345 HB2 LYS 42 1HB LYS 42 -39.010 35.923 -1.596 346 HB3 LYS 42 2HB LYS 42 -40.372 36.813 -2.262 347 HG2 LYS 42 1HG LYS 42 -37.876 36.360 -3.855 348 HG3 LYS 42 2HG LYS 42 -39.159 35.150 -3.777 349 HD2 LYS 42 1HD LYS 42 -40.558 36.366 -5.067 350 HD3 LYS 42 2HD LYS 42 -40.042 37.899 -4.361 351 HE2 LYS 42 1HE LYS 42 -37.816 37.334 -5.675 352 HE3 LYS 42 2HE LYS 42 -38.925 36.388 -6.667 353 HZ1 LYS 42 3HZ LYS 42 -38.448 38.889 -7.194 354 HZ2 LYS 42 1HZ LYS 42 -39.642 39.157 -6.025 355 HZ3 LYS 42 2HZ LYS 42 -39.998 38.244 -7.403 356 H GLU 43 H GLU 43 -38.015 37.671 0.522 357 HA GLU 43 HA GLU 43 -40.433 38.812 1.624 358 HB2 GLU 43 1HB GLU 43 -39.416 36.821 2.645 359 HB3 GLU 43 2HB GLU 43 -37.963 37.743 3.001 360 HG2 GLU 43 1HG GLU 43 -40.206 39.126 4.076 361 HG3 GLU 43 2HG GLU 43 -40.279 37.438 4.580 362 H GLU 44 H GLU 44 -36.966 39.445 2.201 363 HA GLU 44 HA GLU 44 -37.227 41.830 3.559 364 HB2 GLU 44 1HB GLU 44 -34.936 42.268 3.031 365 HB3 GLU 44 2HB GLU 44 -35.111 40.529 3.220 366 HG2 GLU 44 1HG GLU 44 -35.404 40.516 0.655 367 HG3 GLU 44 2HG GLU 44 -34.678 42.121 0.730 368 H ALA 45 H ALA 45 -37.264 41.251 0.090 369 HA ALA 45 HA ALA 45 -37.073 43.908 -0.785 370 HB1 ALA 45 1HB ALA 45 -38.531 41.618 -2.099 371 HB2 ALA 45 2HB ALA 45 -38.017 43.113 -2.882 372 HB3 ALA 45 3HB ALA 45 -36.813 41.979 -2.270 373 H GLU 46 H GLU 46 -40.057 41.955 -0.823 374 HA GLU 46 HA GLU 46 -41.837 44.039 -1.152 375 HB2 GLU 46 1HB GLU 46 -42.016 41.269 -0.131 376 HB3 GLU 46 2HB GLU 46 -43.337 42.337 0.321 377 HG2 GLU 46 1HG GLU 46 -42.414 41.894 -2.507 378 HG3 GLU 46 2HG GLU 46 -43.741 41.021 -1.743 379 H LYS 47 H LYS 47 -40.774 42.560 1.905 380 HA LYS 47 HA LYS 47 -42.270 44.102 3.659 381 HB2 LYS 47 1HB LYS 47 -40.656 42.085 4.071 382 HB3 LYS 47 2HB LYS 47 -39.450 43.339 4.331 383 HG2 LYS 47 1HG LYS 47 -40.368 42.672 6.443 384 HG3 LYS 47 2HG LYS 47 -40.896 44.317 6.079 385 HD2 LYS 47 1HD LYS 47 -42.712 42.235 5.107 386 HD3 LYS 47 2HD LYS 47 -42.532 42.269 6.862 387 HE2 LYS 47 1HE LYS 47 -42.957 44.840 5.421 388 HE3 LYS 47 2HE LYS 47 -44.331 43.755 5.628 389 HZ1 LYS 47 3HZ LYS 47 -44.550 44.533 7.674 390 HZ2 LYS 47 1HZ LYS 47 -43.169 45.497 7.509 391 HZ3 LYS 47 2HZ LYS 47 -43.030 43.911 8.080 392 H ARG 48 H ARG 48 -38.931 44.696 2.555 393 HA ARG 48 HA ARG 48 -39.352 47.550 3.153 394 HB2 ARG 48 1HB ARG 48 -37.290 45.737 4.109 395 HB3 ARG 48 2HB ARG 48 -36.605 47.132 3.287 396 HG2 ARG 48 1HG ARG 48 -36.915 48.350 5.104 397 HG3 ARG 48 2HG ARG 48 -38.654 48.069 4.998 398 HD2 ARG 48 1HD ARG 48 -37.925 45.737 6.067 399 HD3 ARG 48 2HD ARG 48 -36.606 46.737 6.675 400 HE ARG 48 HE ARG 48 -39.012 48.068 7.171 401 HH11 ARG 48 1HH1 ARG 48 -37.327 45.189 8.167 402 HH12 ARG 48 2HH1 ARG 48 -38.042 45.159 9.745 403 HH21 ARG 48 1HH2 ARG 48 -39.961 48.039 9.246 404 HH22 ARG 48 2HH2 ARG 48 -39.540 46.780 10.357 405 H LYS 49 H LYS 49 -39.686 48.376 1.166 406 HA LYS 49 HA LYS 49 -38.478 47.442 -1.207 407 HB2 LYS 49 1HB LYS 49 -40.261 49.612 -0.418 408 HB3 LYS 49 2HB LYS 49 -39.162 50.081 -1.708 409 HG2 LYS 49 1HG LYS 49 -40.333 47.474 -2.178 410 HG3 LYS 49 2HG LYS 49 -41.556 48.733 -1.988 411 HD2 LYS 49 1HD LYS 49 -39.996 50.067 -3.617 412 HD3 LYS 49 2HD LYS 49 -39.411 48.458 -4.048 413 HE2 LYS 49 1HE LYS 49 -41.809 47.808 -4.434 414 HE3 LYS 49 2HE LYS 49 -42.227 49.510 -4.242 415 HZ1 LYS 49 3HZ LYS 49 -41.335 48.216 -6.542 416 HZ2 LYS 49 1HZ LYS 49 -40.112 49.288 -6.077 417 HZ3 LYS 49 2HZ LYS 49 -41.681 49.860 -6.343 418 H ALA 50 H ALA 50 -36.646 48.003 -2.255 419 HA ALA 50 HA ALA 50 -35.083 50.280 -1.289 420 HB1 ALA 50 1HB ALA 50 -33.216 48.219 -1.767 421 HB2 ALA 50 2HB ALA 50 -33.583 49.027 -0.243 422 HB3 ALA 50 3HB ALA 50 -34.453 47.562 -0.695 423 H GLU 51 H GLU 51 -32.947 50.329 -2.737 424 HA GLU 51 HA GLU 51 -33.665 49.700 -5.514 425 HB2 GLU 51 1HB GLU 51 -32.989 51.897 -6.269 426 HB3 GLU 51 2HB GLU 51 -34.252 52.060 -5.057 427 HG2 GLU 51 1HG GLU 51 -31.600 52.117 -3.890 428 HG3 GLU 51 2HG GLU 51 -31.833 53.379 -5.098 429 H ILE 52 H ILE 52 -31.844 48.403 -3.690 430 HA ILE 52 HA ILE 52 -29.168 49.201 -4.335 431 HB ILE 52 HB ILE 52 -30.148 46.598 -3.156 432 HG12 ILE 52 1HG1 ILE 52 -28.999 49.007 -1.736 433 HG13 ILE 52 2HG1 ILE 52 -30.723 48.676 -1.860 434 HG21 ILE 52 1HG2 ILE 52 -27.407 47.813 -3.399 435 HG22 ILE 52 2HG2 ILE 52 -27.787 46.512 -2.272 436 HG23 ILE 52 3HG2 ILE 52 -27.966 46.255 -4.008 437 HD11 ILE 52 3HD1 ILE 52 -28.750 47.585 -0.054 438 HD12 ILE 52 1HD1 ILE 52 -30.510 47.560 0.043 439 HD13 ILE 52 2HD1 ILE 52 -29.660 46.321 -0.881 Start of MODEL 16 1 H1 MET 1 H MET 1 -7.304 -14.306 -2.007 2 HA MET 1 HA MET 1 -8.563 -13.364 -4.199 3 HB2 MET 1 1HB MET 1 -9.011 -15.446 -2.431 4 HB3 MET 1 2HB MET 1 -10.513 -14.534 -2.368 5 HG2 MET 1 1HG MET 1 -9.894 -14.703 -5.074 6 HG3 MET 1 2HG MET 1 -9.509 -16.291 -4.416 7 HE1 MET 1 3HE MET 1 -12.685 -17.988 -4.709 8 HE2 MET 1 1HE MET 1 -10.943 -17.900 -4.970 9 HE3 MET 1 2HE MET 1 -11.585 -17.986 -3.330 10 H ALA 2 H ALA 2 -8.964 -12.196 -0.959 11 HA ALA 2 HA ALA 2 -11.426 -10.908 -1.134 12 HB1 ALA 2 1HB ALA 2 -9.878 -9.231 0.431 13 HB2 ALA 2 2HB ALA 2 -10.820 -10.614 0.988 14 HB3 ALA 2 3HB ALA 2 -9.110 -10.809 0.605 15 H VAL 3 H VAL 3 -8.364 -10.093 -2.540 16 HA VAL 3 HA VAL 3 -9.609 -7.842 -3.915 17 HB VAL 3 HB VAL 3 -6.928 -7.518 -2.568 18 HG11 VAL 3 1HG1 VAL 3 -8.567 -5.223 -3.464 19 HG12 VAL 3 2HG1 VAL 3 -6.817 -5.448 -3.488 20 HG13 VAL 3 3HG1 VAL 3 -7.823 -6.211 -4.721 21 HG21 VAL 3 3HG2 VAL 3 -8.679 -7.683 -0.875 22 HG22 VAL 3 1HG2 VAL 3 -8.057 -6.035 -0.982 23 HG23 VAL 3 2HG2 VAL 3 -9.613 -6.440 -1.707 24 H LYS 4 H LYS 4 -6.288 -9.075 -3.528 25 HA LYS 4 HA LYS 4 -4.791 -9.920 -5.020 26 HB2 LYS 4 1HB LYS 4 -7.367 -10.853 -5.954 27 HB3 LYS 4 2HB LYS 4 -6.274 -10.578 -7.305 28 HG2 LYS 4 1HG LYS 4 -5.724 -12.316 -4.907 29 HG3 LYS 4 2HG LYS 4 -6.145 -12.874 -6.528 30 HD2 LYS 4 1HD LYS 4 -3.950 -12.950 -6.929 31 HD3 LYS 4 2HD LYS 4 -3.995 -11.185 -6.951 32 HE2 LYS 4 1HE LYS 4 -2.374 -11.496 -5.379 33 HE3 LYS 4 2HE LYS 4 -3.794 -11.511 -4.333 34 HZ1 LYS 4 3HZ LYS 4 -2.502 -13.944 -5.443 35 HZ2 LYS 4 1HZ LYS 4 -3.770 -13.894 -4.324 36 HZ3 LYS 4 2HZ LYS 4 -2.232 -13.343 -3.885 37 H LEU 5 H LEU 5 -6.173 -7.113 -5.256 38 HA LEU 5 HA LEU 5 -4.618 -6.329 -7.598 39 HB2 LEU 5 1HB LEU 5 -7.479 -6.435 -7.527 40 HB3 LEU 5 2HB LEU 5 -6.956 -4.758 -7.675 41 HG LEU 5 HG LEU 5 -7.374 -5.658 -9.863 42 HD11 LEU 5 1HD1 LEU 5 -5.495 -4.104 -9.613 43 HD12 LEU 5 2HD1 LEU 5 -5.225 -5.258 -10.918 44 HD13 LEU 5 3HD1 LEU 5 -4.405 -5.470 -9.372 45 HD21 LEU 5 3HD2 LEU 5 -5.198 -7.661 -9.687 46 HD22 LEU 5 1HD2 LEU 5 -6.684 -7.678 -10.636 47 HD23 LEU 5 2HD2 LEU 5 -6.733 -8.064 -8.916 48 H MET 6 H MET 6 -5.030 -3.724 -7.765 49 HA MET 6 HA MET 6 -3.915 -2.725 -5.301 50 HB2 MET 6 1HB MET 6 -4.375 -1.601 -8.038 51 HB3 MET 6 2HB MET 6 -4.043 -0.509 -6.700 52 HG2 MET 6 1HG MET 6 -2.163 -2.673 -6.694 53 HG3 MET 6 2HG MET 6 -2.204 -1.903 -8.278 54 HE1 MET 6 3HE MET 6 0.844 -0.604 -5.857 55 HE2 MET 6 1HE MET 6 0.055 -2.179 -5.950 56 HE3 MET 6 2HE MET 6 0.601 -1.379 -7.424 57 H GLY 7 H GLY 7 -6.258 -3.499 -4.475 58 HA2 GLY 7 1HA GLY 7 -8.164 -2.817 -3.393 59 HA3 GLY 7 2HA GLY 7 -7.507 -1.189 -3.481 60 H VAL 8 H VAL 8 -9.066 -3.613 -5.578 61 HA VAL 8 HA VAL 8 -9.999 -1.768 -7.490 62 HB VAL 8 HB VAL 8 -11.131 -4.477 -6.775 63 HG11 VAL 8 1HG1 VAL 8 -12.818 -3.651 -8.060 64 HG12 VAL 8 2HG1 VAL 8 -11.769 -2.507 -8.900 65 HG13 VAL 8 3HG1 VAL 8 -11.748 -4.214 -9.344 66 HG21 VAL 8 3HG2 VAL 8 -9.201 -5.235 -7.601 67 HG22 VAL 8 1HG2 VAL 8 -9.769 -4.668 -9.172 68 HG23 VAL 8 2HG2 VAL 8 -8.734 -3.638 -8.184 69 H ASP 9 H ASP 9 -11.389 -2.985 -4.498 70 HA ASP 9 HA ASP 9 -13.990 -1.921 -4.885 71 HB2 ASP 9 1HB ASP 9 -12.458 -3.035 -2.584 72 HB3 ASP 9 2HB ASP 9 -13.892 -2.076 -2.228 73 H LYS 10 H LYS 10 -10.991 -0.581 -3.765 74 HA LYS 10 HA LYS 10 -12.162 1.733 -2.528 75 HB2 LYS 10 1HB LYS 10 -9.633 0.523 -2.551 76 HB3 LYS 10 2HB LYS 10 -9.402 2.090 -3.315 77 HG2 LYS 10 1HG LYS 10 -10.555 3.115 -1.337 78 HG3 LYS 10 2HG LYS 10 -10.489 1.527 -0.569 79 HD2 LYS 10 1HD LYS 10 -8.466 2.088 0.179 80 HD3 LYS 10 2HD LYS 10 -7.902 1.965 -1.490 81 HE2 LYS 10 1HE LYS 10 -7.240 4.098 -0.636 82 HE3 LYS 10 2HE LYS 10 -8.535 4.355 -1.804 83 HZ1 LYS 10 3HZ LYS 10 -8.461 5.335 0.729 84 HZ2 LYS 10 1HZ LYS 10 -9.503 4.009 0.870 85 HZ3 LYS 10 2HZ LYS 10 -9.838 5.233 -0.248 86 H ILE 11 H ILE 11 -10.339 1.158 -5.532 87 HA ILE 11 HA ILE 11 -10.604 3.799 -6.509 88 HB ILE 11 HB ILE 11 -9.967 2.839 -8.708 89 HG12 ILE 11 1HG1 ILE 11 -9.194 0.305 -8.360 90 HG13 ILE 11 2HG1 ILE 11 -10.549 0.316 -7.237 91 HG21 ILE 11 1HG2 ILE 11 -8.087 1.530 -6.852 92 HG22 ILE 11 2HG2 ILE 11 -7.793 2.731 -8.108 93 HG23 ILE 11 3HG2 ILE 11 -8.427 3.232 -6.541 94 HD11 ILE 11 3HD1 ILE 11 -11.333 1.532 -9.702 95 HD12 ILE 11 1HD1 ILE 11 -10.612 -0.048 -10.011 96 HD13 ILE 11 2HD1 ILE 11 -11.978 0.097 -8.905 97 H LYS 12 H LYS 12 -12.533 0.878 -6.911 98 HA LYS 12 HA LYS 12 -14.262 1.951 -8.905 99 HB2 LYS 12 1HB LYS 12 -14.069 -0.429 -8.734 100 HB3 LYS 12 2HB LYS 12 -14.519 -0.404 -7.034 101 HG2 LYS 12 1HG LYS 12 -16.477 0.696 -8.961 102 HG3 LYS 12 2HG LYS 12 -16.224 -1.051 -8.966 103 HD2 LYS 12 1HD LYS 12 -16.538 0.194 -6.311 104 HD3 LYS 12 2HD LYS 12 -17.971 0.212 -7.342 105 HE2 LYS 12 1HE LYS 12 -16.346 -2.234 -6.652 106 HE3 LYS 12 2HE LYS 12 -17.871 -1.779 -5.894 107 HZ1 LYS 12 3HZ LYS 12 -17.399 -2.656 -8.677 108 HZ2 LYS 12 1HZ LYS 12 -18.810 -1.833 -8.236 109 HZ3 LYS 12 2HZ LYS 12 -18.444 -3.323 -7.526 110 H SER 13 H SER 13 -14.163 2.086 -5.440 111 HA SER 13 HA SER 13 -16.896 3.074 -5.252 112 HB2 SER 13 1HB SER 13 -15.964 1.504 -3.538 113 HB3 SER 13 2HB SER 13 -14.841 2.774 -3.051 114 HG SER 13 HG SER 13 -16.387 3.658 -1.950 115 H LYS 14 H LYS 14 -13.651 4.254 -5.369 116 HA LYS 14 HA LYS 14 -13.983 6.753 -4.132 117 HB2 LYS 14 1HB LYS 14 -11.852 5.484 -5.073 118 HB3 LYS 14 2HB LYS 14 -12.166 6.487 -6.483 119 HG2 LYS 14 1HG LYS 14 -11.608 7.418 -3.678 120 HG3 LYS 14 2HG LYS 14 -10.569 7.595 -5.094 121 HD2 LYS 14 1HD LYS 14 -13.291 8.852 -4.747 122 HD3 LYS 14 2HD LYS 14 -11.746 9.681 -4.547 123 HE2 LYS 14 1HE LYS 14 -11.816 8.325 -7.075 124 HE3 LYS 14 2HE LYS 14 -13.238 9.353 -6.906 125 HZ1 LYS 14 3HZ LYS 14 -10.751 10.580 -6.089 126 HZ2 LYS 14 1HZ LYS 14 -12.011 11.206 -7.028 127 HZ3 LYS 14 2HZ LYS 14 -10.842 10.212 -7.738 128 H ILE 15 H ILE 15 -13.711 6.198 -7.645 129 HA ILE 15 HA ILE 15 -14.717 8.683 -8.410 130 HB ILE 15 HB ILE 15 -15.007 6.142 -10.010 131 HG12 ILE 15 1HG1 ILE 15 -12.710 7.611 -10.794 132 HG13 ILE 15 2HG1 ILE 15 -12.626 7.414 -9.047 133 HG21 ILE 15 1HG2 ILE 15 -16.200 8.022 -10.945 134 HG22 ILE 15 2HG2 ILE 15 -14.767 9.040 -10.805 135 HG23 ILE 15 3HG2 ILE 15 -14.777 7.681 -11.929 136 HD11 ILE 15 3HD1 ILE 15 -13.324 4.912 -9.849 137 HD12 ILE 15 1HD1 ILE 15 -12.302 5.450 -11.182 138 HD13 ILE 15 2HD1 ILE 15 -11.676 5.456 -9.533 139 H LEU 16 H LEU 16 -16.381 5.617 -7.847 140 HA LEU 16 HA LEU 16 -18.914 6.374 -8.785 141 HB2 LEU 16 1HB LEU 16 -17.862 4.283 -6.962 142 HB3 LEU 16 2HB LEU 16 -19.593 4.610 -6.915 143 HG LEU 16 HG LEU 16 -18.867 2.704 -8.392 144 HD11 LEU 16 1HD1 LEU 16 -20.989 3.276 -8.925 145 HD12 LEU 16 2HD1 LEU 16 -20.215 3.806 -10.418 146 HD13 LEU 16 3HD1 LEU 16 -20.592 4.979 -9.156 147 HD21 LEU 16 3HD2 LEU 16 -18.099 4.718 -10.443 148 HD22 LEU 16 1HD2 LEU 16 -17.645 3.020 -10.298 149 HD23 LEU 16 2HD2 LEU 16 -16.895 4.226 -9.252 150 H ASP 17 H ASP 17 -17.781 6.197 -5.405 151 HA ASP 17 HA ASP 17 -20.016 7.491 -4.298 152 HB2 ASP 17 1HB ASP 17 -18.405 6.130 -2.995 153 HB3 ASP 17 2HB ASP 17 -17.197 7.395 -3.203 154 H ASP 18 H ASP 18 -16.964 8.725 -5.543 155 HA ASP 18 HA ASP 18 -17.233 11.375 -4.615 156 HB2 ASP 18 1HB ASP 18 -15.093 10.514 -5.396 157 HB3 ASP 18 2HB ASP 18 -15.745 10.296 -7.018 158 H ALA 19 H ALA 19 -17.828 10.041 -7.871 159 HA ALA 19 HA ALA 19 -18.881 12.300 -9.057 160 HB1 ALA 19 1HB ALA 19 -18.508 10.600 -10.553 161 HB2 ALA 19 2HB ALA 19 -19.253 9.379 -9.520 162 HB3 ALA 19 3HB ALA 19 -20.263 10.526 -10.400 163 H LYS 20 H LYS 20 -20.755 9.661 -7.550 164 HA LYS 20 HA LYS 20 -23.263 10.851 -7.755 165 HB2 LYS 20 1HB LYS 20 -24.018 9.252 -6.154 166 HB3 LYS 20 2HB LYS 20 -22.771 8.468 -7.114 167 HG2 LYS 20 1HG LYS 20 -21.154 8.806 -5.339 168 HG3 LYS 20 2HG LYS 20 -22.361 9.667 -4.381 169 HD2 LYS 20 1HD LYS 20 -23.758 7.508 -4.617 170 HD3 LYS 20 2HD LYS 20 -22.231 6.753 -5.081 171 HE2 LYS 20 1HE LYS 20 -21.441 8.052 -2.869 172 HE3 LYS 20 2HE LYS 20 -23.133 7.777 -2.457 173 HZ1 LYS 20 3HZ LYS 20 -21.003 5.959 -2.360 174 HZ2 LYS 20 1HZ LYS 20 -22.105 5.406 -3.518 175 HZ3 LYS 20 2HZ LYS 20 -22.620 5.703 -1.935 176 H ALA 21 H ALA 21 -20.728 11.283 -5.372 177 HA ALA 21 HA ALA 21 -22.279 12.695 -3.463 178 HB1 ALA 21 1HB ALA 21 -19.329 12.474 -3.966 179 HB2 ALA 21 2HB ALA 21 -19.981 13.515 -2.700 180 HB3 ALA 21 3HB ALA 21 -20.283 11.778 -2.656 181 H GLU 22 H GLU 22 -20.273 13.715 -6.193 182 HA GLU 22 HA GLU 22 -20.352 16.476 -5.727 183 HB2 GLU 22 1HB GLU 22 -19.194 14.847 -7.603 184 HB3 GLU 22 2HB GLU 22 -20.411 15.685 -8.554 185 HG2 GLU 22 1HG GLU 22 -19.422 17.731 -8.279 186 HG3 GLU 22 2HG GLU 22 -18.646 17.274 -6.764 187 H ALA 23 H ALA 23 -22.561 14.351 -7.485 188 HA ALA 23 HA ALA 23 -24.265 16.522 -8.312 189 HB1 ALA 23 1HB ALA 23 -25.271 13.741 -8.384 190 HB2 ALA 23 2HB ALA 23 -25.338 15.006 -9.611 191 HB3 ALA 23 3HB ALA 23 -23.845 14.102 -9.357 192 H ASN 24 H ASN 24 -23.978 14.481 -5.562 193 HA ASN 24 HA ASN 24 -26.715 14.834 -4.695 194 HB2 ASN 24 1HB ASN 24 -24.327 13.362 -3.707 195 HB3 ASN 24 2HB ASN 24 -25.531 13.833 -2.511 196 HD21 ASN 24 2HD2 ASN 24 -24.753 11.186 -3.474 197 HD22 ASN 24 1HD2 ASN 24 -26.201 10.455 -4.069 198 H LYS 25 H LYS 25 -23.641 16.366 -4.241 199 HA LYS 25 HA LYS 25 -24.562 17.901 -1.946 200 HB2 LYS 25 1HB LYS 25 -22.031 17.099 -2.949 201 HB3 LYS 25 2HB LYS 25 -22.072 18.857 -2.987 202 HG2 LYS 25 1HG LYS 25 -21.145 18.001 -0.894 203 HG3 LYS 25 2HG LYS 25 -22.625 18.925 -0.630 204 HD2 LYS 25 1HD LYS 25 -23.790 17.110 0.069 205 HD3 LYS 25 2HD LYS 25 -22.948 16.014 -1.029 206 HE2 LYS 25 1HE LYS 25 -20.948 16.737 0.675 207 HE3 LYS 25 2HE LYS 25 -22.346 16.743 1.749 208 HZ1 LYS 25 3HZ LYS 25 -21.039 14.516 0.422 209 HZ2 LYS 25 1HZ LYS 25 -22.729 14.454 0.454 210 HZ3 LYS 25 2HZ LYS 25 -21.859 14.567 1.900 211 H ILE 26 H ILE 26 -24.401 18.166 -5.356 212 HA ILE 26 HA ILE 26 -24.489 21.065 -5.384 213 HB ILE 26 HB ILE 26 -23.389 19.583 -7.175 214 HG12 ILE 26 1HG1 ILE 26 -24.059 21.188 -8.982 215 HG13 ILE 26 2HG1 ILE 26 -25.302 21.811 -7.902 216 HG21 ILE 26 1HG2 ILE 26 -24.658 18.524 -8.766 217 HG22 ILE 26 2HG2 ILE 26 -25.656 18.275 -7.334 218 HG23 ILE 26 3HG2 ILE 26 -26.066 19.549 -8.483 219 HD11 ILE 26 3HD1 ILE 26 -22.836 21.833 -6.508 220 HD12 ILE 26 1HD1 ILE 26 -22.585 22.564 -8.093 221 HD13 ILE 26 2HD1 ILE 26 -23.832 23.196 -7.017 222 H ILE 27 H ILE 27 -26.691 18.385 -5.481 223 HA ILE 27 HA ILE 27 -28.922 19.896 -6.484 224 HB ILE 27 HB ILE 27 -30.265 17.903 -5.812 225 HG12 ILE 27 1HG1 ILE 27 -28.176 16.032 -5.409 226 HG13 ILE 27 2HG1 ILE 27 -27.896 17.357 -4.284 227 HG21 ILE 27 1HG2 ILE 27 -28.750 16.312 -7.339 228 HG22 ILE 27 2HG2 ILE 27 -29.693 17.653 -7.988 229 HG23 ILE 27 3HG2 ILE 27 -27.970 17.857 -7.673 230 HD11 ILE 27 3HD1 ILE 27 -29.220 15.902 -3.077 231 HD12 ILE 27 1HD1 ILE 27 -30.386 17.074 -3.690 232 HD13 ILE 27 2HD1 ILE 27 -30.225 15.499 -4.468 233 H SER 28 H SER 28 -27.628 19.040 -3.349 234 HA SER 28 HA SER 28 -29.967 19.996 -1.933 235 HB2 SER 28 1HB SER 28 -28.848 18.150 -0.912 236 HB3 SER 28 2HB SER 28 -27.282 18.955 -1.015 237 HG SER 28 HG SER 28 -27.814 20.245 0.638 238 H GLU 29 H GLU 29 -26.550 20.962 -2.219 239 HA GLU 29 HA GLU 29 -26.718 23.299 -0.695 240 HB2 GLU 29 1HB GLU 29 -24.891 22.535 -2.971 241 HB3 GLU 29 2HB GLU 29 -24.697 24.018 -2.048 242 HG2 GLU 29 1HG GLU 29 -24.272 22.803 -0.042 243 HG3 GLU 29 2HG GLU 29 -24.699 21.277 -0.814 244 H ALA 30 H ALA 30 -27.859 22.602 -3.859 245 HA ALA 30 HA ALA 30 -28.010 25.370 -4.693 246 HB1 ALA 30 1HB ALA 30 -29.137 24.460 -6.690 247 HB2 ALA 30 2HB ALA 30 -27.581 23.692 -6.377 248 HB3 ALA 30 3HB ALA 30 -29.076 22.853 -5.966 249 H GLU 31 H GLU 31 -30.519 22.841 -4.463 250 HA GLU 31 HA GLU 31 -32.718 24.498 -4.454 251 HB2 GLU 31 1HB GLU 31 -33.977 22.672 -3.624 252 HB3 GLU 31 2HB GLU 31 -32.677 21.967 -4.574 253 HG2 GLU 31 1HG GLU 31 -31.426 21.524 -2.512 254 HG3 GLU 31 2HG GLU 31 -32.760 22.194 -1.574 255 H ALA 32 H ALA 32 -30.536 23.744 -1.838 256 HA ALA 32 HA ALA 32 -32.157 24.715 0.281 257 HB1 ALA 32 1HB ALA 32 -29.157 24.437 0.134 258 HB2 ALA 32 2HB ALA 32 -30.101 24.688 1.603 259 HB3 ALA 32 3HB ALA 32 -30.290 23.199 0.677 260 H GLU 33 H GLU 33 -29.120 26.156 -0.908 261 HA GLU 33 HA GLU 33 -29.492 28.666 0.197 262 HB2 GLU 33 1HB GLU 33 -27.980 27.808 -2.268 263 HB3 GLU 33 2HB GLU 33 -27.927 29.452 -1.646 264 HG2 GLU 33 1HG GLU 33 -27.131 28.495 0.532 265 HG3 GLU 33 2HG GLU 33 -26.973 26.945 -0.293 266 H LYS 34 H LYS 34 -30.736 27.337 -2.792 267 HA LYS 34 HA LYS 34 -31.569 29.733 -4.007 268 HB2 LYS 34 1HB LYS 34 -31.491 27.768 -5.345 269 HB3 LYS 34 2HB LYS 34 -32.543 26.889 -4.243 270 HG2 LYS 34 1HG LYS 34 -34.392 28.409 -4.855 271 HG3 LYS 34 2HG LYS 34 -33.325 29.185 -6.028 272 HD2 LYS 34 1HD LYS 34 -33.017 26.637 -6.786 273 HD3 LYS 34 2HD LYS 34 -34.646 26.536 -6.113 274 HE2 LYS 34 1HE LYS 34 -35.083 27.085 -8.308 275 HE3 LYS 34 2HE LYS 34 -35.067 28.673 -7.543 276 HZ1 LYS 34 3HZ LYS 34 -32.466 28.229 -8.252 277 HZ2 LYS 34 1HZ LYS 34 -33.568 29.222 -9.067 278 HZ3 LYS 34 2HZ LYS 34 -33.347 27.620 -9.562 279 H ALA 35 H ALA 35 -33.666 27.315 -2.427 280 HA ALA 35 HA ALA 35 -35.909 28.963 -2.220 281 HB1 ALA 35 1HB ALA 35 -35.065 26.556 -0.626 282 HB2 ALA 35 2HB ALA 35 -36.627 27.349 -0.421 283 HB3 ALA 35 3HB ALA 35 -36.201 26.627 -1.973 284 H LYS 36 H LYS 36 -32.995 28.989 -0.440 285 HA LYS 36 HA LYS 36 -34.091 30.226 1.927 286 HB2 LYS 36 1HB LYS 36 -32.040 28.752 1.899 287 HB3 LYS 36 2HB LYS 36 -31.192 30.067 1.096 288 HG2 LYS 36 1HG LYS 36 -30.975 31.255 2.987 289 HG3 LYS 36 2HG LYS 36 -32.584 30.820 3.568 290 HD2 LYS 36 1HD LYS 36 -31.171 29.773 5.090 291 HD3 LYS 36 2HD LYS 36 -31.563 28.479 3.955 292 HE2 LYS 36 1HE LYS 36 -29.349 29.636 2.817 293 HE3 LYS 36 2HE LYS 36 -29.003 29.757 4.541 294 HZ1 LYS 36 3HZ LYS 36 -29.995 27.210 4.124 295 HZ2 LYS 36 1HZ LYS 36 -28.397 27.643 4.473 296 HZ3 LYS 36 2HZ LYS 36 -28.897 27.482 2.866 297 H ILE 37 H ILE 37 -32.008 31.275 -0.763 298 HA ILE 37 HA ILE 37 -32.045 34.019 0.052 299 HB ILE 37 HB ILE 37 -30.830 34.497 -1.951 300 HG12 ILE 37 1HG1 ILE 37 -31.630 31.726 -2.865 301 HG13 ILE 37 2HG1 ILE 37 -32.184 33.251 -3.548 302 HG21 ILE 37 1HG2 ILE 37 -29.473 31.997 -1.682 303 HG22 ILE 37 2HG2 ILE 37 -29.015 33.583 -1.063 304 HG23 ILE 37 3HG2 ILE 37 -30.046 32.526 -0.100 305 HD11 ILE 37 3HD1 ILE 37 -29.581 31.864 -3.855 306 HD12 ILE 37 1HD1 ILE 37 -30.576 32.690 -5.054 307 HD13 ILE 37 2HD1 ILE 37 -29.606 33.627 -3.916 308 H LEU 38 H LEU 38 -33.972 32.020 -2.049 309 HA LEU 38 HA LEU 38 -35.196 34.052 -3.572 310 HB2 LEU 38 1HB LEU 38 -35.674 31.207 -3.006 311 HB3 LEU 38 2HB LEU 38 -37.107 32.130 -3.454 312 HG LEU 38 HG LEU 38 -36.168 31.044 -5.399 313 HD11 LEU 38 1HD1 LEU 38 -37.089 33.465 -5.417 314 HD12 LEU 38 2HD1 LEU 38 -36.256 32.847 -6.843 315 HD13 LEU 38 3HD1 LEU 38 -35.413 33.918 -5.724 316 HD21 LEU 38 3HD2 LEU 38 -33.893 31.904 -6.200 317 HD22 LEU 38 1HD2 LEU 38 -33.908 30.711 -4.901 318 HD23 LEU 38 2HD2 LEU 38 -33.643 32.415 -4.530 319 H GLU 39 H GLU 39 -36.000 32.595 -0.461 320 HA GLU 39 HA GLU 39 -38.390 34.237 -0.216 321 HB2 GLU 39 1HB GLU 39 -37.304 31.858 1.121 322 HB3 GLU 39 2HB GLU 39 -38.075 33.002 2.211 323 HG2 GLU 39 1HG GLU 39 -39.972 32.929 0.378 324 HG3 GLU 39 2HG GLU 39 -39.250 31.356 0.041 325 H LYS 40 H LYS 40 -35.119 34.073 0.996 326 HA LYS 40 HA LYS 40 -35.477 35.962 3.107 327 HB2 LYS 40 1HB LYS 40 -33.647 34.319 3.116 328 HB3 LYS 40 2HB LYS 40 -32.952 35.083 1.692 329 HG2 LYS 40 1HG LYS 40 -32.006 36.726 2.881 330 HG3 LYS 40 2HG LYS 40 -33.407 36.904 3.939 331 HD2 LYS 40 1HD LYS 40 -32.017 34.386 4.354 332 HD3 LYS 40 2HD LYS 40 -30.971 35.783 4.617 333 HE2 LYS 40 1HE LYS 40 -33.039 36.668 5.973 334 HE3 LYS 40 2HE LYS 40 -33.445 34.955 6.063 335 HZ1 LYS 40 3HZ LYS 40 -31.627 36.357 7.630 336 HZ2 LYS 40 1HZ LYS 40 -30.718 35.302 6.668 337 HZ3 LYS 40 2HZ LYS 40 -31.950 34.696 7.656 338 H ALA 41 H ALA 41 -34.172 36.159 -0.190 339 HA ALA 41 HA ALA 41 -33.593 38.943 -0.053 340 HB1 ALA 41 1HB ALA 41 -32.603 37.205 -1.645 341 HB2 ALA 41 2HB ALA 41 -34.069 37.429 -2.600 342 HB3 ALA 41 3HB ALA 41 -32.989 38.793 -2.309 343 H LYS 42 H LYS 42 -36.175 37.121 -1.708 344 HA LYS 42 HA LYS 42 -37.608 39.275 -2.703 345 HB2 LYS 42 1HB LYS 42 -38.064 36.941 -3.313 346 HB3 LYS 42 2HB LYS 42 -38.687 36.634 -1.697 347 HG2 LYS 42 1HG LYS 42 -39.993 38.877 -3.016 348 HG3 LYS 42 2HG LYS 42 -40.170 37.352 -3.887 349 HD2 LYS 42 1HD LYS 42 -40.596 37.305 -0.951 350 HD3 LYS 42 2HD LYS 42 -41.831 38.092 -1.936 351 HE2 LYS 42 1HE LYS 42 -42.678 36.087 -2.378 352 HE3 LYS 42 2HE LYS 42 -41.200 35.700 -3.257 353 HZ1 LYS 42 3HZ LYS 42 -40.656 35.375 -0.550 354 HZ2 LYS 42 1HZ LYS 42 -40.774 34.172 -1.734 355 HZ3 LYS 42 2HZ LYS 42 -42.139 34.613 -0.837 356 H GLU 43 H GLU 43 -37.402 38.057 0.540 357 HA GLU 43 HA GLU 43 -39.701 39.589 1.440 358 HB2 GLU 43 1HB GLU 43 -39.422 37.448 2.477 359 HB3 GLU 43 2HB GLU 43 -37.745 37.795 2.874 360 HG2 GLU 43 1HG GLU 43 -38.306 39.204 4.613 361 HG3 GLU 43 2HG GLU 43 -39.922 39.510 3.979 362 H GLU 44 H GLU 44 -36.288 39.400 2.471 363 HA GLU 44 HA GLU 44 -36.201 41.697 3.986 364 HB2 GLU 44 1HB GLU 44 -33.839 41.620 3.805 365 HB3 GLU 44 2HB GLU 44 -34.387 39.952 3.705 366 HG2 GLU 44 1HG GLU 44 -34.314 40.355 1.143 367 HG3 GLU 44 2HG GLU 44 -33.261 41.703 1.569 368 H ALA 45 H ALA 45 -36.011 41.358 0.501 369 HA ALA 45 HA ALA 45 -35.263 44.083 0.018 370 HB1 ALA 45 1HB ALA 45 -35.389 43.575 -2.265 371 HB2 ALA 45 2HB ALA 45 -34.852 42.076 -1.506 372 HB3 ALA 45 3HB ALA 45 -36.535 42.260 -1.999 373 H GLU 46 H GLU 46 -38.289 42.242 -0.105 374 HA GLU 46 HA GLU 46 -39.894 44.368 -1.061 375 HB2 GLU 46 1HB GLU 46 -40.408 41.719 0.209 376 HB3 GLU 46 2HB GLU 46 -41.727 42.880 0.148 377 HG2 GLU 46 1HG GLU 46 -41.592 42.988 -2.248 378 HG3 GLU 46 2HG GLU 46 -40.159 41.961 -2.249 379 H LYS 47 H LYS 47 -38.793 43.436 2.109 380 HA LYS 47 HA LYS 47 -40.623 45.243 3.458 381 HB2 LYS 47 1HB LYS 47 -40.221 43.277 4.687 382 HB3 LYS 47 2HB LYS 47 -38.490 43.336 4.383 383 HG2 LYS 47 1HG LYS 47 -39.661 45.593 5.892 384 HG3 LYS 47 2HG LYS 47 -39.576 44.031 6.710 385 HD2 LYS 47 1HD LYS 47 -37.390 44.271 7.053 386 HD3 LYS 47 2HD LYS 47 -37.108 44.571 5.336 387 HE2 LYS 47 1HE LYS 47 -36.435 46.591 6.090 388 HE3 LYS 47 2HE LYS 47 -38.163 46.938 6.050 389 HZ1 LYS 47 3HZ LYS 47 -37.853 45.828 8.483 390 HZ2 LYS 47 1HZ LYS 47 -37.866 47.493 8.179 391 HZ3 LYS 47 2HZ LYS 47 -36.395 46.668 8.310 392 H ARG 48 H ARG 48 -37.103 44.933 3.022 393 HA ARG 48 HA ARG 48 -36.635 47.550 4.148 394 HB2 ARG 48 1HB ARG 48 -35.055 45.621 4.420 395 HB3 ARG 48 2HB ARG 48 -34.684 45.750 2.705 396 HG2 ARG 48 1HG ARG 48 -33.603 47.794 2.966 397 HG3 ARG 48 2HG ARG 48 -34.353 48.095 4.535 398 HD2 ARG 48 1HD ARG 48 -32.900 45.658 4.695 399 HD3 ARG 48 2HD ARG 48 -31.852 46.875 3.967 400 HE ARG 48 HE ARG 48 -33.156 47.931 6.244 401 HH11 ARG 48 1HH1 ARG 48 -30.613 45.743 5.313 402 HH12 ARG 48 2HH1 ARG 48 -29.708 45.968 6.773 403 HH21 ARG 48 1HH2 ARG 48 -31.973 48.235 8.170 404 HH22 ARG 48 2HH2 ARG 48 -30.483 47.385 8.398 405 H LYS 49 H LYS 49 -35.623 46.153 1.027 406 HA LYS 49 HA LYS 49 -35.212 48.615 -0.240 407 HB2 LYS 49 1HB LYS 49 -35.248 45.805 -0.997 408 HB3 LYS 49 2HB LYS 49 -35.869 46.839 -2.277 409 HG2 LYS 49 1HG LYS 49 -33.217 47.214 -0.903 410 HG3 LYS 49 2HG LYS 49 -33.449 46.409 -2.457 411 HD2 LYS 49 1HD LYS 49 -34.009 48.378 -3.538 412 HD3 LYS 49 2HD LYS 49 -34.497 49.179 -2.043 413 HE2 LYS 49 1HE LYS 49 -31.649 48.388 -2.586 414 HE3 LYS 49 2HE LYS 49 -32.310 49.935 -3.113 415 HZ1 LYS 49 3HZ LYS 49 -32.674 50.599 -0.910 416 HZ2 LYS 49 1HZ LYS 49 -31.133 49.901 -0.897 417 HZ3 LYS 49 2HZ LYS 49 -32.457 49.037 -0.297 418 H ALA 50 H ALA 50 -36.423 49.499 -2.084 419 HA ALA 50 HA ALA 50 -39.086 50.074 -1.410 420 HB1 ALA 50 1HB ALA 50 -39.146 50.969 -3.827 421 HB2 ALA 50 2HB ALA 50 -38.029 51.708 -2.679 422 HB3 ALA 50 3HB ALA 50 -37.435 50.544 -3.863 423 H GLU 51 H GLU 51 -41.043 49.550 -2.499 424 HA GLU 51 HA GLU 51 -41.508 46.862 -2.925 425 HB2 GLU 51 1HB GLU 51 -43.008 49.281 -3.091 426 HB3 GLU 51 2HB GLU 51 -43.362 48.322 -4.521 427 HG2 GLU 51 1HG GLU 51 -43.534 46.429 -2.607 428 HG3 GLU 51 2HG GLU 51 -44.055 47.852 -1.707 429 H ILE 52 H ILE 52 -41.078 49.391 -5.395 430 HA ILE 52 HA ILE 52 -40.494 47.257 -7.342 431 HB ILE 52 HB ILE 52 -41.133 48.908 -9.100 432 HG12 ILE 52 1HG1 ILE 52 -42.642 50.516 -7.119 433 HG13 ILE 52 2HG1 ILE 52 -40.904 50.790 -7.179 434 HG21 ILE 52 1HG2 ILE 52 -43.019 47.740 -9.043 435 HG22 ILE 52 2HG2 ILE 52 -42.822 47.444 -7.317 436 HG23 ILE 52 3HG2 ILE 52 -43.665 48.890 -7.873 437 HD11 ILE 52 3HD1 ILE 52 -42.640 50.879 -9.624 438 HD12 ILE 52 1HD1 ILE 52 -42.334 52.290 -8.612 439 HD13 ILE 52 2HD1 ILE 52 -40.994 51.481 -9.426 Start of MODEL 17 1 H1 MET 1 H MET 1 -1.236 -4.289 2.435 2 HA MET 1 HA MET 1 -3.022 -4.834 4.331 3 HB2 MET 1 1HB MET 1 -1.184 -4.287 5.982 4 HB3 MET 1 2HB MET 1 -1.347 -2.607 5.490 5 HG2 MET 1 1HG MET 1 -3.092 -2.310 6.818 6 HG3 MET 1 2HG MET 1 -3.911 -3.725 6.160 7 HE1 MET 1 3HE MET 1 -5.025 -4.042 8.593 8 HE2 MET 1 1HE MET 1 -4.664 -5.509 7.683 9 HE3 MET 1 2HE MET 1 -4.321 -5.437 9.411 10 H ALA 2 H ALA 2 -4.853 -3.651 4.052 11 HA ALA 2 HA ALA 2 -6.286 -2.127 3.154 12 HB1 ALA 2 1HB ALA 2 -4.218 -0.006 3.019 13 HB2 ALA 2 2HB ALA 2 -5.876 0.061 3.618 14 HB3 ALA 2 3HB ALA 2 -4.609 -0.666 4.607 15 H VAL 3 H VAL 3 -4.193 -3.638 1.482 16 HA VAL 3 HA VAL 3 -4.893 -2.330 -1.028 17 HB VAL 3 HB VAL 3 -2.035 -3.095 -0.424 18 HG11 VAL 3 1HG1 VAL 3 -3.405 -2.795 -2.852 19 HG12 VAL 3 2HG1 VAL 3 -2.416 -1.346 -2.666 20 HG13 VAL 3 3HG1 VAL 3 -1.665 -2.941 -2.608 21 HG21 VAL 3 3HG2 VAL 3 -3.251 -0.344 -0.661 22 HG22 VAL 3 1HG2 VAL 3 -2.716 -1.103 0.838 23 HG23 VAL 3 2HG2 VAL 3 -1.543 -0.712 -0.419 24 H LYS 4 H LYS 4 -3.349 -5.075 0.585 25 HA LYS 4 HA LYS 4 -3.218 -6.869 -1.515 26 HB2 LYS 4 1HB LYS 4 -3.192 -8.625 0.137 27 HB3 LYS 4 2HB LYS 4 -2.297 -7.247 0.763 28 HG2 LYS 4 1HG LYS 4 -4.230 -6.599 2.110 29 HG3 LYS 4 2HG LYS 4 -5.127 -7.985 1.484 30 HD2 LYS 4 1HD LYS 4 -4.233 -8.514 3.668 31 HD3 LYS 4 2HD LYS 4 -3.412 -9.484 2.443 32 HE2 LYS 4 1HE LYS 4 -1.423 -8.531 2.856 33 HE3 LYS 4 2HE LYS 4 -2.119 -6.918 2.996 34 HZ1 LYS 4 3HZ LYS 4 -2.698 -7.316 5.238 35 HZ2 LYS 4 1HZ LYS 4 -1.095 -7.833 5.070 36 HZ3 LYS 4 2HZ LYS 4 -2.349 -8.967 5.126 37 H LEU 5 H LEU 5 -5.979 -5.921 0.430 38 HA LEU 5 HA LEU 5 -7.760 -7.951 -0.317 39 HB2 LEU 5 1HB LEU 5 -8.478 -5.082 0.249 40 HB3 LEU 5 2HB LEU 5 -9.513 -6.498 0.427 41 HG LEU 5 HG LEU 5 -7.026 -6.368 2.054 42 HD11 LEU 5 1HD1 LEU 5 -7.961 -4.121 2.277 43 HD12 LEU 5 2HD1 LEU 5 -8.135 -5.046 3.768 44 HD13 LEU 5 3HD1 LEU 5 -9.525 -4.814 2.708 45 HD21 LEU 5 3HD2 LEU 5 -8.038 -8.236 2.746 46 HD22 LEU 5 1HD2 LEU 5 -9.578 -7.779 2.019 47 HD23 LEU 5 2HD2 LEU 5 -9.139 -7.165 3.613 48 H MET 6 H MET 6 -9.966 -6.895 -1.453 49 HA MET 6 HA MET 6 -9.276 -6.852 -4.215 50 HB2 MET 6 1HB MET 6 -11.741 -6.441 -4.533 51 HB3 MET 6 2HB MET 6 -11.338 -7.883 -3.611 52 HG2 MET 6 1HG MET 6 -11.701 -5.544 -1.929 53 HG3 MET 6 2HG MET 6 -13.130 -5.931 -2.885 54 HE1 MET 6 3HE MET 6 -15.007 -7.647 -1.187 55 HE2 MET 6 1HE MET 6 -14.274 -7.221 0.360 56 HE3 MET 6 2HE MET 6 -14.342 -6.032 -0.941 57 H GLY 7 H GLY 7 -7.870 -4.995 -4.288 58 HA2 GLY 7 1HA GLY 7 -8.500 -2.399 -3.572 59 HA3 GLY 7 2HA GLY 7 -7.454 -2.826 -4.919 60 H VAL 8 H VAL 8 -9.625 -4.236 -6.327 61 HA VAL 8 HA VAL 8 -10.508 -2.199 -7.993 62 HB VAL 8 HB VAL 8 -11.874 -4.853 -7.523 63 HG11 VAL 8 1HG1 VAL 8 -12.085 -2.784 -9.683 64 HG12 VAL 8 2HG1 VAL 8 -12.482 -4.476 -9.990 65 HG13 VAL 8 3HG1 VAL 8 -13.372 -3.567 -8.767 66 HG21 VAL 8 3HG2 VAL 8 -9.921 -5.685 -8.252 67 HG22 VAL 8 1HG2 VAL 8 -10.442 -5.099 -9.832 68 HG23 VAL 8 2HG2 VAL 8 -9.363 -4.119 -8.839 69 H ASP 9 H ASP 9 -11.933 -3.487 -5.066 70 HA ASP 9 HA ASP 9 -14.493 -2.303 -5.369 71 HB2 ASP 9 1HB ASP 9 -12.972 -3.563 -3.137 72 HB3 ASP 9 2HB ASP 9 -14.359 -2.559 -2.721 73 H LYS 10 H LYS 10 -11.425 -1.141 -4.220 74 HA LYS 10 HA LYS 10 -12.478 1.176 -2.893 75 HB2 LYS 10 1HB LYS 10 -10.055 -0.141 -2.879 76 HB3 LYS 10 2HB LYS 10 -9.690 1.330 -3.770 77 HG2 LYS 10 1HG LYS 10 -9.277 2.084 -1.679 78 HG3 LYS 10 2HG LYS 10 -11.007 2.426 -1.742 79 HD2 LYS 10 1HD LYS 10 -9.864 -0.142 -0.659 80 HD3 LYS 10 2HD LYS 10 -10.203 1.268 0.347 81 HE2 LYS 10 1HE LYS 10 -12.556 1.186 -0.377 82 HE3 LYS 10 2HE LYS 10 -12.199 -0.256 -1.326 83 HZ1 LYS 10 3HZ LYS 10 -11.692 -0.134 1.586 84 HZ2 LYS 10 1HZ LYS 10 -11.805 -1.502 0.597 85 HZ3 LYS 10 2HZ LYS 10 -13.191 -0.603 0.959 86 H ILE 11 H ILE 11 -10.716 0.642 -5.942 87 HA ILE 11 HA ILE 11 -10.879 3.325 -6.818 88 HB ILE 11 HB ILE 11 -10.331 2.416 -9.065 89 HG12 ILE 11 1HG1 ILE 11 -9.661 -0.161 -8.813 90 HG13 ILE 11 2HG1 ILE 11 -10.998 -0.127 -7.667 91 HG21 ILE 11 1HG2 ILE 11 -8.133 1.443 -8.402 92 HG22 ILE 11 2HG2 ILE 11 -8.527 2.959 -7.593 93 HG23 ILE 11 3HG2 ILE 11 -8.700 1.429 -6.733 94 HD11 ILE 11 3HD1 ILE 11 -11.120 -0.401 -10.448 95 HD12 ILE 11 1HD1 ILE 11 -12.462 -0.226 -9.317 96 HD13 ILE 11 2HD1 ILE 11 -11.761 1.200 -10.083 97 H LYS 12 H LYS 12 -12.947 0.512 -7.305 98 HA LYS 12 HA LYS 12 -14.658 1.740 -9.219 99 HB2 LYS 12 1HB LYS 12 -14.586 -0.647 -9.149 100 HB3 LYS 12 2HB LYS 12 -14.983 -0.672 -7.436 101 HG2 LYS 12 1HG LYS 12 -16.956 0.618 -9.207 102 HG3 LYS 12 2HG LYS 12 -16.766 -1.128 -9.381 103 HD2 LYS 12 1HD LYS 12 -16.953 -0.103 -6.617 104 HD3 LYS 12 2HD LYS 12 -18.419 0.016 -7.594 105 HE2 LYS 12 1HE LYS 12 -16.812 -2.496 -7.137 106 HE3 LYS 12 2HE LYS 12 -18.318 -2.083 -6.318 107 HZ1 LYS 12 3HZ LYS 12 -17.968 -3.332 -8.811 108 HZ2 LYS 12 1HZ LYS 12 -18.764 -1.860 -9.058 109 HZ3 LYS 12 2HZ LYS 12 -19.410 -3.002 -7.991 110 H SER 13 H SER 13 -14.508 1.720 -5.750 111 HA SER 13 HA SER 13 -17.183 2.835 -5.478 112 HB2 SER 13 1HB SER 13 -15.063 2.067 -3.466 113 HB3 SER 13 2HB SER 13 -16.575 2.854 -3.013 114 HG SER 13 HG SER 13 -17.685 1.082 -3.563 115 H LYS 14 H LYS 14 -13.890 3.868 -5.618 116 HA LYS 14 HA LYS 14 -14.081 6.329 -4.278 117 HB2 LYS 14 1HB LYS 14 -12.029 4.998 -5.308 118 HB3 LYS 14 2HB LYS 14 -12.319 6.071 -6.672 119 HG2 LYS 14 1HG LYS 14 -11.670 6.862 -3.843 120 HG3 LYS 14 2HG LYS 14 -10.648 7.045 -5.270 121 HD2 LYS 14 1HD LYS 14 -13.300 8.416 -4.821 122 HD3 LYS 14 2HD LYS 14 -11.712 9.163 -4.623 123 HE2 LYS 14 1HE LYS 14 -11.887 7.913 -7.197 124 HE3 LYS 14 2HE LYS 14 -13.265 8.988 -6.963 125 HZ1 LYS 14 3HZ LYS 14 -11.026 10.339 -6.040 126 HZ2 LYS 14 1HZ LYS 14 -11.929 10.671 -7.432 127 HZ3 LYS 14 2HZ LYS 14 -10.581 9.653 -7.521 128 H ILE 15 H ILE 15 -13.905 5.890 -7.814 129 HA ILE 15 HA ILE 15 -14.811 8.451 -8.461 130 HB ILE 15 HB ILE 15 -15.228 5.998 -10.165 131 HG12 ILE 15 1HG1 ILE 15 -12.871 7.386 -10.913 132 HG13 ILE 15 2HG1 ILE 15 -12.779 7.118 -9.176 133 HG21 ILE 15 1HG2 ILE 15 -16.297 7.725 -11.253 134 HG22 ILE 15 2HG2 ILE 15 -15.165 8.940 -10.660 135 HG23 ILE 15 3HG2 ILE 15 -14.676 7.829 -11.939 136 HD11 ILE 15 3HD1 ILE 15 -11.925 5.140 -9.748 137 HD12 ILE 15 1HD1 ILE 15 -13.600 4.684 -10.060 138 HD13 ILE 15 2HD1 ILE 15 -12.571 5.224 -11.387 139 H LEU 16 H LEU 16 -16.585 5.440 -7.967 140 HA LEU 16 HA LEU 16 -19.099 6.327 -8.851 141 HB2 LEU 16 1HB LEU 16 -18.127 4.144 -7.079 142 HB3 LEU 16 2HB LEU 16 -19.848 4.522 -7.073 143 HG LEU 16 HG LEU 16 -18.225 3.664 -9.468 144 HD11 LEU 16 1HD1 LEU 16 -19.142 1.566 -9.260 145 HD12 LEU 16 2HD1 LEU 16 -20.500 2.136 -8.289 146 HD13 LEU 16 3HD1 LEU 16 -18.895 2.005 -7.570 147 HD21 LEU 16 3HD2 LEU 16 -19.864 4.421 -10.754 148 HD22 LEU 16 1HD2 LEU 16 -20.631 5.136 -9.336 149 HD23 LEU 16 2HD2 LEU 16 -21.049 3.496 -9.831 150 H ASP 17 H ASP 17 -17.910 6.002 -5.501 151 HA ASP 17 HA ASP 17 -20.084 7.341 -4.318 152 HB2 ASP 17 1HB ASP 17 -18.575 5.877 -3.050 153 HB3 ASP 17 2HB ASP 17 -17.257 7.021 -3.288 154 H ASP 18 H ASP 18 -17.003 8.484 -5.568 155 HA ASP 18 HA ASP 18 -17.152 11.111 -4.538 156 HB2 ASP 18 1HB ASP 18 -15.075 10.055 -5.418 157 HB3 ASP 18 2HB ASP 18 -15.738 10.180 -7.045 158 H ALA 19 H ALA 19 -17.996 9.781 -7.730 159 HA ALA 19 HA ALA 19 -18.874 12.145 -8.914 160 HB1 ALA 19 1HB ALA 19 -18.555 10.297 -10.326 161 HB2 ALA 19 2HB ALA 19 -19.628 9.274 -9.370 162 HB3 ALA 19 3HB ALA 19 -20.295 10.587 -10.340 163 H LYS 20 H LYS 20 -20.947 9.591 -7.523 164 HA LYS 20 HA LYS 20 -23.347 10.956 -7.617 165 HB2 LYS 20 1HB LYS 20 -24.079 9.457 -5.771 166 HB3 LYS 20 2HB LYS 20 -23.279 8.606 -7.086 167 HG2 LYS 20 1HG LYS 20 -22.188 7.612 -5.388 168 HG3 LYS 20 2HG LYS 20 -21.167 9.047 -5.498 169 HD2 LYS 20 1HD LYS 20 -21.655 8.895 -3.223 170 HD3 LYS 20 2HD LYS 20 -22.814 10.088 -3.815 171 HE2 LYS 20 1HE LYS 20 -24.119 7.677 -4.160 172 HE3 LYS 20 2HE LYS 20 -23.266 7.471 -2.631 173 HZ1 LYS 20 3HZ LYS 20 -24.326 9.960 -2.433 174 HZ2 LYS 20 1HZ LYS 20 -24.980 8.558 -1.748 175 HZ3 LYS 20 2HZ LYS 20 -25.540 9.108 -3.246 176 H ALA 21 H ALA 21 -20.774 11.148 -5.235 177 HA ALA 21 HA ALA 21 -22.198 12.637 -3.293 178 HB1 ALA 21 1HB ALA 21 -19.966 13.181 -2.388 179 HB2 ALA 21 2HB ALA 21 -20.176 11.458 -2.702 180 HB3 ALA 21 3HB ALA 21 -19.235 12.448 -3.817 181 H GLU 22 H GLU 22 -20.152 13.573 -6.025 182 HA GLU 22 HA GLU 22 -20.047 16.324 -5.507 183 HB2 GLU 22 1HB GLU 22 -18.981 14.677 -7.401 184 HB3 GLU 22 2HB GLU 22 -20.177 15.551 -8.346 185 HG2 GLU 22 1HG GLU 22 -19.176 17.633 -7.871 186 HG3 GLU 22 2HG GLU 22 -18.162 16.938 -6.608 187 H ALA 23 H ALA 23 -22.411 14.375 -7.260 188 HA ALA 23 HA ALA 23 -23.971 16.664 -8.055 189 HB1 ALA 23 1HB ALA 23 -24.898 13.809 -8.125 190 HB2 ALA 23 2HB ALA 23 -25.387 15.153 -9.157 191 HB3 ALA 23 3HB ALA 23 -23.774 14.459 -9.318 192 H ASN 24 H ASN 24 -23.807 14.568 -5.330 193 HA ASN 24 HA ASN 24 -26.499 15.121 -4.425 194 HB2 ASN 24 1HB ASN 24 -24.245 13.418 -3.536 195 HB3 ASN 24 2HB ASN 24 -25.309 14.014 -2.265 196 HD21 ASN 24 2HD2 ASN 24 -24.776 11.403 -3.950 197 HD22 ASN 24 1HD2 ASN 24 -26.378 10.803 -4.187 198 H LYS 25 H LYS 25 -23.317 16.416 -4.003 199 HA LYS 25 HA LYS 25 -24.080 17.976 -1.667 200 HB2 LYS 25 1HB LYS 25 -21.666 16.941 -2.591 201 HB3 LYS 25 2HB LYS 25 -21.527 18.672 -2.871 202 HG2 LYS 25 1HG LYS 25 -20.626 18.114 -0.709 203 HG3 LYS 25 2HG LYS 25 -22.091 19.080 -0.513 204 HD2 LYS 25 1HD LYS 25 -23.075 17.463 0.660 205 HD3 LYS 25 2HD LYS 25 -22.726 16.269 -0.593 206 HE2 LYS 25 1HE LYS 25 -20.293 16.449 0.449 207 HE3 LYS 25 2HE LYS 25 -21.209 16.950 1.869 208 HZ1 LYS 25 3HZ LYS 25 -22.587 14.803 1.139 209 HZ2 LYS 25 1HZ LYS 25 -21.284 14.742 2.216 210 HZ3 LYS 25 2HZ LYS 25 -21.054 14.348 0.588 211 H ILE 26 H ILE 26 -23.966 18.284 -5.076 212 HA ILE 26 HA ILE 26 -23.852 21.183 -5.053 213 HB ILE 26 HB ILE 26 -22.877 19.660 -6.884 214 HG12 ILE 26 1HG1 ILE 26 -23.452 21.343 -8.653 215 HG13 ILE 26 2HG1 ILE 26 -24.634 22.031 -7.545 216 HG21 ILE 26 1HG2 ILE 26 -25.559 19.842 -8.164 217 HG22 ILE 26 2HG2 ILE 26 -24.234 18.722 -8.475 218 HG23 ILE 26 3HG2 ILE 26 -25.237 18.523 -7.039 219 HD11 ILE 26 3HD1 ILE 26 -21.872 22.592 -7.758 220 HD12 ILE 26 1HD1 ILE 26 -23.057 23.293 -6.658 221 HD13 ILE 26 2HD1 ILE 26 -22.157 21.853 -6.183 222 H ILE 27 H ILE 27 -26.229 18.661 -5.148 223 HA ILE 27 HA ILE 27 -28.367 20.334 -6.104 224 HB ILE 27 HB ILE 27 -29.831 18.424 -5.447 225 HG12 ILE 27 1HG1 ILE 27 -27.866 16.413 -5.102 226 HG13 ILE 27 2HG1 ILE 27 -27.489 17.696 -3.957 227 HG21 ILE 27 1HG2 ILE 27 -27.600 18.309 -7.361 228 HG22 ILE 27 2HG2 ILE 27 -28.378 16.767 -7.008 229 HG23 ILE 27 3HG2 ILE 27 -29.334 18.116 -7.622 230 HD11 ILE 27 3HD1 ILE 27 -29.463 17.428 -2.807 231 HD12 ILE 27 1HD1 ILE 27 -30.282 16.676 -4.176 232 HD13 ILE 27 2HD1 ILE 27 -29.073 15.770 -3.266 233 H SER 28 H SER 28 -27.077 19.364 -3.005 234 HA SER 28 HA SER 28 -29.334 20.403 -1.525 235 HB2 SER 28 1HB SER 28 -27.852 18.431 -0.819 236 HB3 SER 28 2HB SER 28 -26.656 19.645 -0.364 237 HG SER 28 HG SER 28 -29.325 19.692 0.579 238 H GLU 29 H GLU 29 -25.886 21.249 -1.839 239 HA GLU 29 HA GLU 29 -25.961 23.593 -0.326 240 HB2 GLU 29 1HB GLU 29 -23.974 22.239 -1.448 241 HB3 GLU 29 2HB GLU 29 -24.169 23.452 -2.706 242 HG2 GLU 29 1HG GLU 29 -23.930 24.310 0.138 243 HG3 GLU 29 2HG GLU 29 -22.489 23.831 -0.757 244 H ALA 30 H ALA 30 -27.106 22.940 -3.510 245 HA ALA 30 HA ALA 30 -27.208 25.725 -4.302 246 HB1 ALA 30 1HB ALA 30 -28.211 23.210 -5.622 247 HB2 ALA 30 2HB ALA 30 -28.373 24.823 -6.317 248 HB3 ALA 30 3HB ALA 30 -26.772 24.140 -6.037 249 H GLU 31 H GLU 31 -29.729 23.204 -4.097 250 HA GLU 31 HA GLU 31 -31.927 24.865 -4.128 251 HB2 GLU 31 1HB GLU 31 -33.198 23.048 -3.299 252 HB3 GLU 31 2HB GLU 31 -31.887 22.333 -4.227 253 HG2 GLU 31 1HG GLU 31 -31.761 21.010 -2.405 254 HG3 GLU 31 2HG GLU 31 -30.727 22.319 -1.838 255 H ALA 32 H ALA 32 -29.765 24.141 -1.490 256 HA ALA 32 HA ALA 32 -31.391 25.086 0.625 257 HB1 ALA 32 1HB ALA 32 -29.200 25.286 1.852 258 HB2 ALA 32 2HB ALA 32 -29.554 23.694 1.179 259 HB3 ALA 32 3HB ALA 32 -28.410 24.761 0.364 260 H GLU 33 H GLU 33 -28.421 26.645 -0.581 261 HA GLU 33 HA GLU 33 -28.902 29.146 0.502 262 HB2 GLU 33 1HB GLU 33 -27.287 30.007 -1.143 263 HB3 GLU 33 2HB GLU 33 -26.733 28.512 -0.401 264 HG2 GLU 33 1HG GLU 33 -27.753 27.365 -2.467 265 HG3 GLU 33 2HG GLU 33 -27.729 28.976 -3.181 266 H LYS 34 H LYS 34 -29.884 27.848 -2.633 267 HA LYS 34 HA LYS 34 -30.898 30.189 -3.766 268 HB2 LYS 34 1HB LYS 34 -30.623 28.266 -5.148 269 HB3 LYS 34 2HB LYS 34 -31.673 27.296 -4.123 270 HG2 LYS 34 1HG LYS 34 -33.570 28.754 -4.779 271 HG3 LYS 34 2HG LYS 34 -32.491 29.583 -5.903 272 HD2 LYS 34 1HD LYS 34 -32.024 27.170 -6.785 273 HD3 LYS 34 2HD LYS 34 -33.560 26.793 -6.002 274 HE2 LYS 34 1HE LYS 34 -33.966 29.173 -7.440 275 HE3 LYS 34 2HE LYS 34 -33.065 28.099 -8.510 276 HZ1 LYS 34 3HZ LYS 34 -35.282 26.891 -7.076 277 HZ2 LYS 34 1HZ LYS 34 -34.785 26.681 -8.680 278 HZ3 LYS 34 2HZ LYS 34 -35.708 28.032 -8.250 279 H ALA 35 H ALA 35 -32.793 27.591 -2.214 280 HA ALA 35 HA ALA 35 -35.204 28.994 -2.096 281 HB1 ALA 35 1HB ALA 35 -35.846 27.355 -0.349 282 HB2 ALA 35 2HB ALA 35 -35.149 26.610 -1.788 283 HB3 ALA 35 3HB ALA 35 -34.178 26.780 -0.325 284 H LYS 36 H LYS 36 -32.345 29.407 -0.286 285 HA LYS 36 HA LYS 36 -33.618 30.580 2.028 286 HB2 LYS 36 1HB LYS 36 -30.958 29.705 1.295 287 HB3 LYS 36 2HB LYS 36 -30.912 31.306 2.021 288 HG2 LYS 36 1HG LYS 36 -30.865 30.220 3.965 289 HG3 LYS 36 2HG LYS 36 -32.593 29.967 3.706 290 HD2 LYS 36 1HD LYS 36 -30.646 28.049 2.508 291 HD3 LYS 36 2HD LYS 36 -31.006 27.944 4.233 292 HE2 LYS 36 1HE LYS 36 -33.222 28.087 2.227 293 HE3 LYS 36 2HE LYS 36 -32.408 26.556 2.546 294 HZ1 LYS 36 3HZ LYS 36 -33.567 26.316 4.402 295 HZ2 LYS 36 1HZ LYS 36 -34.461 27.697 4.003 296 HZ3 LYS 36 2HZ LYS 36 -33.085 27.831 4.978 297 H ILE 37 H ILE 37 -31.516 31.779 -0.590 298 HA ILE 37 HA ILE 37 -31.880 34.518 0.115 299 HB ILE 37 HB ILE 37 -30.838 34.987 -2.105 300 HG12 ILE 37 1HG1 ILE 37 -30.044 32.200 -2.526 301 HG13 ILE 37 2HG1 ILE 37 -31.765 32.476 -2.769 302 HG21 ILE 37 1HG2 ILE 37 -28.686 33.585 -1.490 303 HG22 ILE 37 2HG2 ILE 37 -29.234 34.924 -0.482 304 HG23 ILE 37 3HG2 ILE 37 -29.608 33.263 -0.021 305 HD11 ILE 37 3HD1 ILE 37 -29.538 33.972 -4.132 306 HD12 ILE 37 1HD1 ILE 37 -30.513 32.687 -4.844 307 HD13 ILE 37 2HD1 ILE 37 -31.266 34.216 -4.391 308 H LEU 38 H LEU 38 -33.532 32.282 -1.989 309 HA LEU 38 HA LEU 38 -34.935 34.174 -3.555 310 HB2 LEU 38 1HB LEU 38 -35.126 31.278 -3.003 311 HB3 LEU 38 2HB LEU 38 -36.592 32.061 -3.589 312 HG LEU 38 HG LEU 38 -35.306 31.022 -5.398 313 HD11 LEU 38 1HD1 LEU 38 -36.209 33.729 -5.277 314 HD12 LEU 38 2HD1 LEU 38 -36.243 32.604 -6.634 315 HD13 LEU 38 3HD1 LEU 38 -34.827 33.621 -6.367 316 HD21 LEU 38 3HD2 LEU 38 -33.145 32.809 -4.348 317 HD22 LEU 38 1HD2 LEU 38 -33.164 32.311 -6.040 318 HD23 LEU 38 2HD2 LEU 38 -33.073 31.096 -4.765 319 H GLU 39 H GLU 39 -35.605 32.632 -0.463 320 HA GLU 39 HA GLU 39 -38.213 33.916 -0.290 321 HB2 GLU 39 1HB GLU 39 -36.765 32.075 1.621 322 HB3 GLU 39 2HB GLU 39 -38.386 32.705 1.875 323 HG2 GLU 39 1HG GLU 39 -37.838 31.260 -0.656 324 HG3 GLU 39 2HG GLU 39 -37.956 30.321 0.831 325 H LYS 40 H LYS 40 -34.974 34.262 0.927 326 HA LYS 40 HA LYS 40 -35.661 36.087 3.036 327 HB2 LYS 40 1HB LYS 40 -33.639 34.664 3.121 328 HB3 LYS 40 2HB LYS 40 -32.978 35.543 1.749 329 HG2 LYS 40 1HG LYS 40 -32.362 37.302 3.004 330 HG3 LYS 40 2HG LYS 40 -33.796 37.209 4.028 331 HD2 LYS 40 1HD LYS 40 -32.534 34.956 4.787 332 HD3 LYS 40 2HD LYS 40 -31.143 35.951 4.350 333 HE2 LYS 40 1HE LYS 40 -33.327 36.682 6.299 334 HE3 LYS 40 2HE LYS 40 -31.679 36.207 6.709 335 HZ1 LYS 40 3HZ LYS 40 -31.392 38.428 6.739 336 HZ2 LYS 40 1HZ LYS 40 -32.680 38.739 5.688 337 HZ3 LYS 40 2HZ LYS 40 -31.190 38.229 5.072 338 H ALA 41 H ALA 41 -34.226 36.398 -0.199 339 HA ALA 41 HA ALA 41 -33.996 39.229 -0.100 340 HB1 ALA 41 1HB ALA 41 -34.182 37.581 -2.608 341 HB2 ALA 41 2HB ALA 41 -33.350 39.117 -2.366 342 HB3 ALA 41 3HB ALA 41 -32.725 37.649 -1.616 343 H LYS 42 H LYS 42 -36.303 37.082 -1.768 344 HA LYS 42 HA LYS 42 -37.936 39.024 -2.881 345 HB2 LYS 42 1HB LYS 42 -38.146 36.665 -3.443 346 HB3 LYS 42 2HB LYS 42 -38.697 36.300 -1.813 347 HG2 LYS 42 1HG LYS 42 -40.788 37.116 -2.184 348 HG3 LYS 42 2HG LYS 42 -40.237 38.296 -3.376 349 HD2 LYS 42 1HD LYS 42 -40.199 35.336 -3.909 350 HD3 LYS 42 2HD LYS 42 -41.618 36.334 -4.238 351 HE2 LYS 42 1HE LYS 42 -39.441 37.703 -5.351 352 HE3 LYS 42 2HE LYS 42 -39.210 36.009 -5.780 353 HZ1 LYS 42 3HZ LYS 42 -41.889 37.111 -6.121 354 HZ2 LYS 42 1HZ LYS 42 -41.051 35.987 -7.069 355 HZ3 LYS 42 2HZ LYS 42 -40.703 37.636 -7.208 356 H GLU 43 H GLU 43 -37.777 37.858 0.405 357 HA GLU 43 HA GLU 43 -40.225 39.195 1.185 358 HB2 GLU 43 1HB GLU 43 -38.165 37.556 2.632 359 HB3 GLU 43 2HB GLU 43 -39.354 38.492 3.528 360 HG2 GLU 43 1HG GLU 43 -41.157 37.286 2.451 361 HG3 GLU 43 2HG GLU 43 -39.996 36.384 1.478 362 H GLU 44 H GLU 44 -36.835 39.428 2.285 363 HA GLU 44 HA GLU 44 -37.047 41.760 3.737 364 HB2 GLU 44 1HB GLU 44 -34.702 41.920 3.649 365 HB3 GLU 44 2HB GLU 44 -35.038 40.202 3.493 366 HG2 GLU 44 1HG GLU 44 -34.909 40.629 0.958 367 HG3 GLU 44 2HG GLU 44 -34.108 42.133 1.410 368 H ALA 45 H ALA 45 -36.802 41.343 0.271 369 HA ALA 45 HA ALA 45 -36.221 44.039 -0.382 370 HB1 ALA 45 1HB ALA 45 -37.543 41.896 -2.043 371 HB2 ALA 45 2HB ALA 45 -36.907 43.423 -2.655 372 HB3 ALA 45 3HB ALA 45 -35.813 42.231 -1.954 373 H GLU 46 H GLU 46 -39.270 42.280 -0.973 374 HA GLU 46 HA GLU 46 -40.837 44.536 -1.420 375 HB2 GLU 46 1HB GLU 46 -42.769 43.082 -1.018 376 HB3 GLU 46 2HB GLU 46 -41.564 42.280 -2.015 377 HG2 GLU 46 1HG GLU 46 -42.194 40.624 -0.542 378 HG3 GLU 46 2HG GLU 46 -40.730 41.265 0.202 379 H LYS 47 H LYS 47 -39.710 43.149 1.538 380 HA LYS 47 HA LYS 47 -41.638 44.459 3.225 381 HB2 LYS 47 1HB LYS 47 -40.781 42.478 4.142 382 HB3 LYS 47 2HB LYS 47 -39.124 42.888 3.716 383 HG2 LYS 47 1HG LYS 47 -40.504 44.684 5.620 384 HG3 LYS 47 2HG LYS 47 -40.067 43.074 6.196 385 HD2 LYS 47 1HD LYS 47 -37.873 44.191 4.735 386 HD3 LYS 47 2HD LYS 47 -38.411 45.344 5.958 387 HE2 LYS 47 1HE LYS 47 -38.234 42.560 6.875 388 HE3 LYS 47 2HE LYS 47 -36.695 43.284 6.412 389 HZ1 LYS 47 3HZ LYS 47 -36.929 43.791 8.656 390 HZ2 LYS 47 1HZ LYS 47 -38.575 44.156 8.517 391 HZ3 LYS 47 2HZ LYS 47 -37.418 45.214 7.883 392 H ARG 48 H ARG 48 -38.178 44.919 2.523 393 HA ARG 48 HA ARG 48 -38.234 47.495 3.892 394 HB2 ARG 48 1HB ARG 48 -36.333 45.608 3.883 395 HB3 ARG 48 2HB ARG 48 -35.787 46.545 2.498 396 HG2 ARG 48 1HG ARG 48 -36.452 48.024 4.979 397 HG3 ARG 48 2HG ARG 48 -34.976 47.056 4.965 398 HD2 ARG 48 1HD ARG 48 -35.292 48.632 2.546 399 HD3 ARG 48 2HD ARG 48 -35.268 49.632 3.998 400 HE ARG 48 HE ARG 48 -33.072 48.185 2.861 401 HH11 ARG 48 1HH1 ARG 48 -34.399 49.479 5.807 402 HH12 ARG 48 2HH1 ARG 48 -32.862 49.614 6.595 403 HH21 ARG 48 1HH2 ARG 48 -31.041 48.358 3.886 404 HH22 ARG 48 2HH2 ARG 48 -30.952 48.977 5.500 405 H LYS 49 H LYS 49 -38.847 49.219 2.779 406 HA LYS 49 HA LYS 49 -39.265 50.651 1.054 407 HB2 LYS 49 1HB LYS 49 -36.506 50.157 1.195 408 HB3 LYS 49 2HB LYS 49 -36.900 50.106 -0.518 409 HG2 LYS 49 1HG LYS 49 -37.791 52.313 -0.459 410 HG3 LYS 49 2HG LYS 49 -37.696 52.364 1.303 411 HD2 LYS 49 1HD LYS 49 -35.241 51.941 -0.367 412 HD3 LYS 49 2HD LYS 49 -35.869 53.563 -0.069 413 HE2 LYS 49 1HE LYS 49 -35.727 51.992 2.362 414 HE3 LYS 49 2HE LYS 49 -34.158 52.111 1.567 415 HZ1 LYS 49 3HZ LYS 49 -34.368 54.506 1.556 416 HZ2 LYS 49 1HZ LYS 49 -34.531 53.924 3.136 417 HZ3 LYS 49 2HZ LYS 49 -35.899 54.413 2.270 418 H ALA 50 H ALA 50 -38.682 50.691 -1.612 419 HA ALA 50 HA ALA 50 -39.397 48.141 -2.793 420 HB1 ALA 50 1HB ALA 50 -41.596 48.558 -2.671 421 HB2 ALA 50 2HB ALA 50 -41.353 50.275 -2.348 422 HB3 ALA 50 3HB ALA 50 -41.296 49.672 -4.004 423 H GLU 51 H GLU 51 -39.288 48.160 -5.128 424 HA GLU 51 HA GLU 51 -37.973 50.514 -6.284 425 HB2 GLU 51 1HB GLU 51 -36.383 48.978 -7.468 426 HB3 GLU 51 2HB GLU 51 -36.139 49.084 -5.730 427 HG2 GLU 51 1HG GLU 51 -37.252 46.967 -5.405 428 HG3 GLU 51 2HG GLU 51 -37.624 46.869 -7.126 429 H ILE 52 H ILE 52 -40.677 49.362 -6.485 430 HA ILE 52 HA ILE 52 -40.751 48.396 -9.244 431 HB ILE 52 HB ILE 52 -43.182 48.048 -8.813 432 HG12 ILE 52 1HG1 ILE 52 -43.057 48.111 -5.942 433 HG13 ILE 52 2HG1 ILE 52 -42.641 49.698 -6.580 434 HG21 ILE 52 1HG2 ILE 52 -41.614 46.675 -6.663 435 HG22 ILE 52 2HG2 ILE 52 -42.876 46.026 -7.709 436 HG23 ILE 52 3HG2 ILE 52 -41.276 46.369 -8.367 437 HD11 ILE 52 3HD1 ILE 52 -44.833 49.039 -8.065 438 HD12 ILE 52 1HD1 ILE 52 -45.206 48.319 -6.499 439 HD13 ILE 52 2HD1 ILE 52 -44.840 50.041 -6.613 Start of MODEL 18 1 H1 MET 1 H MET 1 -17.566 -11.520 3.403 2 HA MET 1 HA MET 1 -17.227 -9.317 3.879 3 HB2 MET 1 1HB MET 1 -14.596 -10.461 4.017 4 HB3 MET 1 2HB MET 1 -14.499 -8.857 3.302 5 HG2 MET 1 1HG MET 1 -14.962 -7.834 5.231 6 HG3 MET 1 2HG MET 1 -16.211 -9.000 5.663 7 HE1 MET 1 3HE MET 1 -15.026 -10.509 8.498 8 HE2 MET 1 1HE MET 1 -16.229 -10.353 7.218 9 HE3 MET 1 2HE MET 1 -15.078 -11.689 7.187 10 H ALA 2 H ALA 2 -17.696 -7.606 2.641 11 HA ALA 2 HA ALA 2 -17.741 -7.777 -0.154 12 HB1 ALA 2 1HB ALA 2 -18.358 -5.733 1.861 13 HB2 ALA 2 2HB ALA 2 -17.920 -5.104 0.272 14 HB3 ALA 2 3HB ALA 2 -19.264 -6.234 0.433 15 H VAL 3 H VAL 3 -15.255 -6.772 2.016 16 HA VAL 3 HA VAL 3 -13.734 -5.481 -0.126 17 HB VAL 3 HB VAL 3 -12.949 -5.760 2.775 18 HG11 VAL 3 1HG1 VAL 3 -11.025 -4.889 2.089 19 HG12 VAL 3 2HG1 VAL 3 -11.636 -4.738 0.440 20 HG13 VAL 3 3HG1 VAL 3 -11.896 -3.436 1.601 21 HG21 VAL 3 3HG2 VAL 3 -14.549 -3.627 1.383 22 HG22 VAL 3 1HG2 VAL 3 -14.976 -4.552 2.822 23 HG23 VAL 3 2HG2 VAL 3 -13.698 -3.340 2.901 24 H LYS 4 H LYS 4 -12.822 -7.676 2.530 25 HA LYS 4 HA LYS 4 -11.497 -9.525 2.593 26 HB2 LYS 4 1HB LYS 4 -13.113 -9.988 0.503 27 HB3 LYS 4 2HB LYS 4 -11.575 -9.932 -0.348 28 HG2 LYS 4 1HG LYS 4 -10.973 -11.939 0.398 29 HG3 LYS 4 2HG LYS 4 -11.460 -11.564 2.052 30 HD2 LYS 4 1HD LYS 4 -13.394 -12.286 -0.145 31 HD3 LYS 4 2HD LYS 4 -12.715 -13.456 0.989 32 HE2 LYS 4 1HE LYS 4 -13.891 -11.066 2.227 33 HE3 LYS 4 2HE LYS 4 -15.037 -12.096 1.369 34 HZ1 LYS 4 3HZ LYS 4 -14.027 -13.988 2.674 35 HZ2 LYS 4 1HZ LYS 4 -14.971 -12.895 3.555 36 HZ3 LYS 4 2HZ LYS 4 -13.284 -12.817 3.641 37 H LEU 5 H LEU 5 -10.585 -6.726 1.557 38 HA LEU 5 HA LEU 5 -8.581 -5.731 1.146 39 HB2 LEU 5 1HB LEU 5 -7.941 -8.219 2.384 40 HB3 LEU 5 2HB LEU 5 -6.754 -7.893 1.122 41 HG LEU 5 HG LEU 5 -5.891 -7.059 3.182 42 HD11 LEU 5 1HD1 LEU 5 -6.750 -4.451 2.201 43 HD12 LEU 5 2HD1 LEU 5 -6.172 -5.528 0.930 44 HD13 LEU 5 3HD1 LEU 5 -5.135 -5.151 2.305 45 HD21 LEU 5 3HD2 LEU 5 -8.648 -6.011 3.518 46 HD22 LEU 5 1HD2 LEU 5 -7.320 -5.077 4.206 47 HD23 LEU 5 2HD2 LEU 5 -7.565 -6.753 4.696 48 H MET 6 H MET 6 -8.036 -5.025 -0.802 49 HA MET 6 HA MET 6 -6.801 -6.544 -2.790 50 HB2 MET 6 1HB MET 6 -8.680 -6.499 -4.494 51 HB3 MET 6 2HB MET 6 -8.829 -7.693 -3.211 52 HG2 MET 6 1HG MET 6 -10.329 -6.098 -2.012 53 HG3 MET 6 2HG MET 6 -10.285 -5.075 -3.445 54 HE1 MET 6 3HE MET 6 -10.269 -6.436 -5.720 55 HE2 MET 6 1HE MET 6 -10.466 -8.185 -5.607 56 HE3 MET 6 2HE MET 6 -11.800 -7.183 -6.177 57 H GLY 7 H GLY 7 -8.850 -3.791 -2.023 58 HA2 GLY 7 1HA GLY 7 -8.130 -1.550 -2.343 59 HA3 GLY 7 2HA GLY 7 -7.062 -2.105 -3.623 60 H VAL 8 H VAL 8 -9.138 -3.715 -4.909 61 HA VAL 8 HA VAL 8 -10.076 -1.905 -6.785 62 HB VAL 8 HB VAL 8 -11.305 -4.562 -6.039 63 HG11 VAL 8 1HG1 VAL 8 -12.898 -3.405 -7.342 64 HG12 VAL 8 2HG1 VAL 8 -11.662 -2.775 -8.432 65 HG13 VAL 8 3HG1 VAL 8 -12.066 -4.492 -8.453 66 HG21 VAL 8 3HG2 VAL 8 -9.972 -5.381 -7.989 67 HG22 VAL 8 1HG2 VAL 8 -9.154 -3.818 -8.013 68 HG23 VAL 8 2HG2 VAL 8 -9.003 -4.872 -6.607 69 H ASP 9 H ASP 9 -11.500 -2.924 -3.754 70 HA ASP 9 HA ASP 9 -14.095 -1.876 -4.211 71 HB2 ASP 9 1HB ASP 9 -12.562 -2.802 -1.822 72 HB3 ASP 9 2HB ASP 9 -14.021 -1.850 -1.561 73 H LYS 10 H LYS 10 -11.089 -0.483 -3.159 74 HA LYS 10 HA LYS 10 -12.245 1.922 -2.102 75 HB2 LYS 10 1HB LYS 10 -9.733 0.698 -2.016 76 HB3 LYS 10 2HB LYS 10 -9.476 2.183 -2.922 77 HG2 LYS 10 1HG LYS 10 -10.786 2.033 -0.216 78 HG3 LYS 10 2HG LYS 10 -9.089 2.431 -0.499 79 HD2 LYS 10 1HD LYS 10 -9.597 4.472 -1.470 80 HD3 LYS 10 2HD LYS 10 -11.241 3.981 -1.884 81 HE2 LYS 10 1HE LYS 10 -11.968 4.963 -0.031 82 HE3 LYS 10 2HE LYS 10 -11.024 3.818 0.921 83 HZ1 LYS 10 3HZ LYS 10 -10.656 6.541 0.768 84 HZ2 LYS 10 1HZ LYS 10 -9.373 5.882 -0.117 85 HZ3 LYS 10 2HZ LYS 10 -9.618 5.417 1.490 86 H ILE 11 H ILE 11 -10.417 1.131 -5.055 87 HA ILE 11 HA ILE 11 -10.664 3.696 -6.218 88 HB ILE 11 HB ILE 11 -10.049 2.571 -8.347 89 HG12 ILE 11 1HG1 ILE 11 -9.286 0.065 -7.804 90 HG13 ILE 11 2HG1 ILE 11 -10.645 0.172 -6.690 91 HG21 ILE 11 1HG2 ILE 11 -8.238 1.485 -6.239 92 HG22 ILE 11 2HG2 ILE 11 -7.841 2.295 -7.754 93 HG23 ILE 11 3HG2 ILE 11 -8.455 3.229 -6.390 94 HD11 ILE 11 3HD1 ILE 11 -11.412 1.199 -9.245 95 HD12 ILE 11 1HD1 ILE 11 -10.703 -0.405 -9.427 96 HD13 ILE 11 2HD1 ILE 11 -12.072 -0.163 -8.341 97 H LYS 12 H LYS 12 -12.616 0.767 -6.429 98 HA LYS 12 HA LYS 12 -14.342 1.718 -8.482 99 HB2 LYS 12 1HB LYS 12 -14.169 -0.647 -8.142 100 HB3 LYS 12 2HB LYS 12 -14.624 -0.496 -6.450 101 HG2 LYS 12 1HG LYS 12 -16.599 0.542 -8.356 102 HG3 LYS 12 2HG LYS 12 -16.313 -1.198 -8.442 103 HD2 LYS 12 1HD LYS 12 -17.530 -1.515 -6.609 104 HD3 LYS 12 2HD LYS 12 -16.491 -0.416 -5.699 105 HE2 LYS 12 1HE LYS 12 -17.964 1.275 -5.830 106 HE3 LYS 12 2HE LYS 12 -18.374 0.916 -7.507 107 HZ1 LYS 12 3HZ LYS 12 -19.922 -0.698 -6.844 108 HZ2 LYS 12 1HZ LYS 12 -20.197 0.615 -5.813 109 HZ3 LYS 12 2HZ LYS 12 -19.348 -0.737 -5.253 110 H SER 13 H SER 13 -14.242 2.082 -5.032 111 HA SER 13 HA SER 13 -16.962 3.117 -4.915 112 HB2 SER 13 1HB SER 13 -16.112 1.663 -3.093 113 HB3 SER 13 2HB SER 13 -14.894 2.881 -2.715 114 HG SER 13 HG SER 13 -17.689 3.003 -2.393 115 H LYS 14 H LYS 14 -13.710 4.246 -5.136 116 HA LYS 14 HA LYS 14 -14.002 6.824 -4.055 117 HB2 LYS 14 1HB LYS 14 -11.891 5.467 -4.920 118 HB3 LYS 14 2HB LYS 14 -12.199 6.382 -6.390 119 HG2 LYS 14 1HG LYS 14 -11.612 7.482 -3.652 120 HG3 LYS 14 2HG LYS 14 -10.583 7.558 -5.084 121 HD2 LYS 14 1HD LYS 14 -13.289 8.865 -4.799 122 HD3 LYS 14 2HD LYS 14 -11.734 9.688 -4.657 123 HE2 LYS 14 1HE LYS 14 -11.843 8.177 -7.099 124 HE3 LYS 14 2HE LYS 14 -13.240 9.246 -6.983 125 HZ1 LYS 14 3HZ LYS 14 -10.380 10.020 -6.824 126 HZ2 LYS 14 1HZ LYS 14 -11.660 11.075 -6.494 127 HZ3 LYS 14 2HZ LYS 14 -11.482 10.422 -8.043 128 H ILE 15 H ILE 15 -13.755 6.035 -7.524 129 HA ILE 15 HA ILE 15 -14.703 8.469 -8.470 130 HB ILE 15 HB ILE 15 -15.136 5.821 -9.848 131 HG12 ILE 15 1HG1 ILE 15 -12.794 7.136 -10.784 132 HG13 ILE 15 2HG1 ILE 15 -12.682 7.040 -9.030 133 HG21 ILE 15 1HG2 ILE 15 -15.345 8.645 -10.622 134 HG22 ILE 15 2HG2 ILE 15 -14.472 7.622 -11.762 135 HG23 ILE 15 3HG2 ILE 15 -16.126 7.219 -11.303 136 HD11 ILE 15 3HD1 ILE 15 -11.800 5.029 -9.455 137 HD12 ILE 15 1HD1 ILE 15 -13.484 4.532 -9.615 138 HD13 ILE 15 2HD1 ILE 15 -12.540 4.924 -11.053 139 H LEU 16 H LEU 16 -16.476 5.527 -7.635 140 HA LEU 16 HA LEU 16 -19.000 6.342 -8.568 141 HB2 LEU 16 1HB LEU 16 -18.090 4.039 -7.669 142 HB3 LEU 16 2HB LEU 16 -18.757 4.624 -6.146 143 HG LEU 16 HG LEU 16 -20.700 4.908 -8.245 144 HD11 LEU 16 1HD1 LEU 16 -20.844 2.873 -9.211 145 HD12 LEU 16 2HD1 LEU 16 -20.200 2.034 -7.800 146 HD13 LEU 16 3HD1 LEU 16 -19.106 2.857 -8.911 147 HD21 LEU 16 3HD2 LEU 16 -21.813 3.172 -6.620 148 HD22 LEU 16 1HD2 LEU 16 -21.570 4.848 -6.125 149 HD23 LEU 16 2HD2 LEU 16 -20.452 3.597 -5.581 150 H ASP 17 H ASP 17 -17.843 6.242 -5.192 151 HA ASP 17 HA ASP 17 -19.965 7.691 -4.098 152 HB2 ASP 17 1HB ASP 17 -17.105 7.427 -3.149 153 HB3 ASP 17 2HB ASP 17 -18.409 8.119 -2.187 154 H ASP 18 H ASP 18 -16.944 8.765 -5.540 155 HA ASP 18 HA ASP 18 -17.145 11.482 -4.757 156 HB2 ASP 18 1HB ASP 18 -15.004 10.679 -5.433 157 HB3 ASP 18 2HB ASP 18 -15.631 10.108 -6.977 158 H ALA 19 H ALA 19 -17.975 9.804 -7.782 159 HA ALA 19 HA ALA 19 -18.919 12.032 -9.184 160 HB1 ALA 19 1HB ALA 19 -19.486 9.096 -9.398 161 HB2 ALA 19 2HB ALA 19 -20.290 10.266 -10.446 162 HB3 ALA 19 3HB ALA 19 -18.532 10.124 -10.467 163 H LYS 20 H LYS 20 -20.867 9.530 -7.541 164 HA LYS 20 HA LYS 20 -23.338 10.744 -7.783 165 HB2 LYS 20 1HB LYS 20 -24.008 9.409 -5.807 166 HB3 LYS 20 2HB LYS 20 -23.116 8.466 -6.993 167 HG2 LYS 20 1HG LYS 20 -22.004 7.754 -5.175 168 HG3 LYS 20 2HG LYS 20 -21.089 9.244 -5.415 169 HD2 LYS 20 1HD LYS 20 -21.651 9.274 -3.144 170 HD3 LYS 20 2HD LYS 20 -22.840 10.339 -3.896 171 HE2 LYS 20 1HE LYS 20 -24.013 7.841 -4.040 172 HE3 LYS 20 2HE LYS 20 -23.214 7.833 -2.468 173 HZ1 LYS 20 3HZ LYS 20 -24.327 10.044 -2.086 174 HZ2 LYS 20 1HZ LYS 20 -25.352 8.698 -2.111 175 HZ3 LYS 20 2HZ LYS 20 -25.269 9.722 -3.454 176 H ALA 21 H ALA 21 -20.809 11.303 -5.400 177 HA ALA 21 HA ALA 21 -22.318 12.927 -3.648 178 HB1 ALA 21 1HB ALA 21 -19.361 12.684 -4.142 179 HB2 ALA 21 2HB ALA 21 -20.043 13.749 -2.912 180 HB3 ALA 21 3HB ALA 21 -20.307 12.008 -2.816 181 H GLU 22 H GLU 22 -20.236 13.692 -6.415 182 HA GLU 22 HA GLU 22 -20.335 16.483 -6.197 183 HB2 GLU 22 1HB GLU 22 -19.145 14.667 -7.908 184 HB3 GLU 22 2HB GLU 22 -20.283 15.508 -8.951 185 HG2 GLU 22 1HG GLU 22 -19.140 17.444 -8.871 186 HG3 GLU 22 2HG GLU 22 -18.654 17.216 -7.192 187 H ALA 23 H ALA 23 -22.497 14.193 -7.784 188 HA ALA 23 HA ALA 23 -24.159 16.267 -8.902 189 HB1 ALA 23 1HB ALA 23 -23.796 14.007 -9.947 190 HB2 ALA 23 2HB ALA 23 -24.821 13.340 -8.676 191 HB3 ALA 23 3HB ALA 23 -25.478 14.519 -9.812 192 H ASN 24 H ASN 24 -23.948 14.577 -5.928 193 HA ASN 24 HA ASN 24 -26.718 15.072 -5.198 194 HB2 ASN 24 1HB ASN 24 -24.452 13.536 -4.056 195 HB3 ASN 24 2HB ASN 24 -25.608 14.196 -2.904 196 HD21 ASN 24 2HD2 ASN 24 -24.876 11.498 -4.443 197 HD22 ASN 24 1HD2 ASN 24 -26.443 10.804 -4.662 198 H LYS 25 H LYS 25 -23.666 16.599 -4.939 199 HA LYS 25 HA LYS 25 -24.398 18.233 -2.657 200 HB2 LYS 25 1HB LYS 25 -21.973 17.486 -3.927 201 HB3 LYS 25 2HB LYS 25 -22.098 19.237 -4.038 202 HG2 LYS 25 1HG LYS 25 -20.887 18.541 -2.041 203 HG3 LYS 25 2HG LYS 25 -22.378 19.392 -1.631 204 HD2 LYS 25 1HD LYS 25 -23.436 17.450 -0.915 205 HD3 LYS 25 2HD LYS 25 -22.340 16.403 -1.820 206 HE2 LYS 25 1HE LYS 25 -21.395 16.083 0.200 207 HE3 LYS 25 2HE LYS 25 -20.594 17.613 -0.155 208 HZ1 LYS 25 3HZ LYS 25 -22.351 17.019 1.945 209 HZ2 LYS 25 1HZ LYS 25 -23.090 18.183 0.964 210 HZ3 LYS 25 2HZ LYS 25 -21.559 18.478 1.621 211 H ILE 26 H ILE 26 -24.255 18.480 -6.144 212 HA ILE 26 HA ILE 26 -24.588 21.311 -6.265 213 HB ILE 26 HB ILE 26 -25.124 20.952 -8.644 214 HG12 ILE 26 1HG1 ILE 26 -24.596 18.342 -9.207 215 HG13 ILE 26 2HG1 ILE 26 -25.463 18.181 -7.684 216 HG21 ILE 26 1HG2 ILE 26 -22.873 21.161 -8.509 217 HG22 ILE 26 2HG2 ILE 26 -22.711 19.853 -7.338 218 HG23 ILE 26 3HG2 ILE 26 -22.926 19.483 -9.049 219 HD11 ILE 26 3HD1 ILE 26 -26.423 19.343 -10.270 220 HD12 ILE 26 1HD1 ILE 26 -27.102 18.015 -9.330 221 HD13 ILE 26 2HD1 ILE 26 -27.238 19.672 -8.741 222 H ILE 27 H ILE 27 -26.774 18.551 -6.293 223 HA ILE 27 HA ILE 27 -29.114 20.051 -6.930 224 HB ILE 27 HB ILE 27 -30.340 18.026 -6.104 225 HG12 ILE 27 1HG1 ILE 27 -28.133 16.221 -6.045 226 HG13 ILE 27 2HG1 ILE 27 -27.811 17.510 -4.890 227 HG21 ILE 27 1HG2 ILE 27 -29.008 18.437 -8.433 228 HG22 ILE 27 2HG2 ILE 27 -28.336 16.890 -7.921 229 HG23 ILE 27 3HG2 ILE 27 -30.079 17.071 -8.121 230 HD11 ILE 27 3HD1 ILE 27 -29.875 17.069 -3.749 231 HD12 ILE 27 1HD1 ILE 27 -30.339 15.883 -4.968 232 HD13 ILE 27 2HD1 ILE 27 -28.965 15.567 -3.907 233 H SER 28 H SER 28 -27.466 19.191 -3.968 234 HA SER 28 HA SER 28 -29.645 20.083 -2.285 235 HB2 SER 28 1HB SER 28 -27.934 19.686 -0.441 236 HB3 SER 28 2HB SER 28 -28.381 18.273 -1.397 237 HG SER 28 HG SER 28 -25.963 19.369 -1.055 238 H GLU 29 H GLU 29 -26.336 21.164 -3.020 239 HA GLU 29 HA GLU 29 -26.390 23.489 -1.451 240 HB2 GLU 29 1HB GLU 29 -24.804 22.762 -3.911 241 HB3 GLU 29 2HB GLU 29 -24.558 24.265 -3.034 242 HG2 GLU 29 1HG GLU 29 -24.512 21.872 -1.352 243 HG3 GLU 29 2HG GLU 29 -23.233 21.941 -2.563 244 H ALA 30 H ALA 30 -27.863 22.754 -4.463 245 HA ALA 30 HA ALA 30 -28.186 25.517 -5.268 246 HB1 ALA 30 1HB ALA 30 -29.550 24.536 -7.112 247 HB2 ALA 30 2HB ALA 30 -27.898 23.922 -7.025 248 HB3 ALA 30 3HB ALA 30 -29.236 22.942 -6.425 249 H GLU 31 H GLU 31 -30.561 22.903 -4.754 250 HA GLU 31 HA GLU 31 -32.808 24.476 -4.513 251 HB2 GLU 31 1HB GLU 31 -33.848 22.614 -3.342 252 HB3 GLU 31 2HB GLU 31 -32.857 22.022 -4.668 253 HG2 GLU 31 1HG GLU 31 -32.001 20.608 -3.185 254 HG3 GLU 31 2HG GLU 31 -31.105 21.994 -2.565 255 H ALA 32 H ALA 32 -30.322 23.836 -2.150 256 HA ALA 32 HA ALA 32 -31.735 24.776 0.127 257 HB1 ALA 32 1HB ALA 32 -29.397 25.000 1.095 258 HB2 ALA 32 2HB ALA 32 -29.881 23.393 0.552 259 HB3 ALA 32 3HB ALA 32 -28.813 24.377 -0.449 260 H GLU 33 H GLU 33 -28.894 26.307 -1.388 261 HA GLU 33 HA GLU 33 -29.234 28.815 -0.276 262 HB2 GLU 33 1HB GLU 33 -27.700 29.634 -1.909 263 HB3 GLU 33 2HB GLU 33 -27.222 27.985 -1.532 264 HG2 GLU 33 1HG GLU 33 -28.514 27.273 -3.579 265 HG3 GLU 33 2HG GLU 33 -28.630 28.984 -3.987 266 H LYS 34 H LYS 34 -30.747 27.411 -3.104 267 HA LYS 34 HA LYS 34 -31.797 29.763 -4.233 268 HB2 LYS 34 1HB LYS 34 -31.791 27.790 -5.560 269 HB3 LYS 34 2HB LYS 34 -32.684 26.884 -4.346 270 HG2 LYS 34 1HG LYS 34 -34.644 28.329 -4.760 271 HG3 LYS 34 2HG LYS 34 -33.741 29.133 -6.046 272 HD2 LYS 34 1HD LYS 34 -33.949 27.382 -7.470 273 HD3 LYS 34 2HD LYS 34 -33.857 26.183 -6.177 274 HE2 LYS 34 1HE LYS 34 -36.252 27.738 -5.904 275 HE3 LYS 34 2HE LYS 34 -36.146 27.086 -7.539 276 HZ1 LYS 34 3HZ LYS 34 -37.264 25.508 -6.180 277 HZ2 LYS 34 1HZ LYS 34 -36.057 25.562 -4.995 278 HZ3 LYS 34 2HZ LYS 34 -35.727 24.882 -6.508 279 H ALA 35 H ALA 35 -33.620 27.286 -2.424 280 HA ALA 35 HA ALA 35 -35.886 28.854 -1.981 281 HB1 ALA 35 1HB ALA 35 -36.498 27.221 -0.284 282 HB2 ALA 35 2HB ALA 35 -35.851 26.419 -1.717 283 HB3 ALA 35 3HB ALA 35 -34.849 26.593 -0.276 284 H LYS 36 H LYS 36 -32.799 28.999 -0.528 285 HA LYS 36 HA LYS 36 -33.676 30.216 1.938 286 HB2 LYS 36 1HB LYS 36 -31.559 28.811 1.603 287 HB3 LYS 36 2HB LYS 36 -30.869 30.239 0.842 288 HG2 LYS 36 1HG LYS 36 -31.569 31.440 3.027 289 HG3 LYS 36 2HG LYS 36 -31.645 29.807 3.693 290 HD2 LYS 36 1HD LYS 36 -29.467 30.327 4.164 291 HD3 LYS 36 2HD LYS 36 -29.268 29.607 2.565 292 HE2 LYS 36 1HE LYS 36 -29.122 31.742 1.532 293 HE3 LYS 36 2HE LYS 36 -29.643 32.562 3.003 294 HZ1 LYS 36 3HZ LYS 36 -27.577 32.580 3.793 295 HZ2 LYS 36 1HZ LYS 36 -27.069 32.172 2.231 296 HZ3 LYS 36 2HZ LYS 36 -27.297 30.961 3.390 297 H ILE 37 H ILE 37 -31.935 31.318 -0.966 298 HA ILE 37 HA ILE 37 -31.987 34.065 -0.165 299 HB ILE 37 HB ILE 37 -31.015 34.571 -2.289 300 HG12 ILE 37 1HG1 ILE 37 -31.806 31.765 -3.099 301 HG13 ILE 37 2HG1 ILE 37 -32.486 33.263 -3.725 302 HG21 ILE 37 1HG2 ILE 37 -29.081 33.731 -1.599 303 HG22 ILE 37 2HG2 ILE 37 -29.963 32.646 -0.525 304 HG23 ILE 37 3HG2 ILE 37 -29.545 32.124 -2.157 305 HD11 ILE 37 3HD1 ILE 37 -29.963 31.903 -4.384 306 HD12 ILE 37 1HD1 ILE 37 -31.032 32.878 -5.393 307 HD13 ILE 37 2HD1 ILE 37 -29.897 33.663 -4.294 308 H LEU 38 H LEU 38 -34.055 31.979 -2.035 309 HA LEU 38 HA LEU 38 -35.512 33.951 -3.425 310 HB2 LEU 38 1HB LEU 38 -35.819 31.096 -2.797 311 HB3 LEU 38 2HB LEU 38 -37.325 31.963 -3.092 312 HG LEU 38 HG LEU 38 -36.561 30.894 -5.122 313 HD11 LEU 38 1HD1 LEU 38 -37.117 33.647 -4.835 314 HD12 LEU 38 2HD1 LEU 38 -37.402 32.613 -6.235 315 HD13 LEU 38 3HD1 LEU 38 -35.878 33.487 -6.080 316 HD21 LEU 38 3HD2 LEU 38 -34.420 31.831 -6.167 317 HD22 LEU 38 1HD2 LEU 38 -34.251 30.647 -4.871 318 HD23 LEU 38 2HD2 LEU 38 -34.010 32.362 -4.536 319 H GLU 39 H GLU 39 -35.919 32.493 -0.238 320 HA GLU 39 HA GLU 39 -38.327 34.050 0.256 321 HB2 GLU 39 1HB GLU 39 -37.056 31.698 1.433 322 HB3 GLU 39 2HB GLU 39 -37.646 32.830 2.641 323 HG2 GLU 39 1HG GLU 39 -39.574 32.379 0.525 324 HG3 GLU 39 2HG GLU 39 -39.116 30.890 1.350 325 H LYS 40 H LYS 40 -34.941 34.016 1.104 326 HA LYS 40 HA LYS 40 -35.137 35.907 3.235 327 HB2 LYS 40 1HB LYS 40 -33.258 34.332 3.056 328 HB3 LYS 40 2HB LYS 40 -32.751 35.104 1.558 329 HG2 LYS 40 1HG LYS 40 -31.721 36.774 2.628 330 HG3 LYS 40 2HG LYS 40 -33.022 36.950 3.808 331 HD2 LYS 40 1HD LYS 40 -31.000 34.715 3.872 332 HD3 LYS 40 2HD LYS 40 -30.810 36.231 4.757 333 HE2 LYS 40 1HE LYS 40 -33.416 35.174 5.257 334 HE3 LYS 40 2HE LYS 40 -32.220 33.909 5.538 335 HZ1 LYS 40 3HZ LYS 40 -31.838 34.853 7.491 336 HZ2 LYS 40 1HZ LYS 40 -32.823 36.179 7.125 337 HZ3 LYS 40 2HZ LYS 40 -31.189 36.193 6.688 338 H ALA 41 H ALA 41 -34.210 36.123 -0.185 339 HA ALA 41 HA ALA 41 -33.721 38.928 -0.123 340 HB1 ALA 41 1HB ALA 41 -32.777 37.313 -1.796 341 HB2 ALA 41 2HB ALA 41 -34.369 37.274 -2.553 342 HB3 ALA 41 3HB ALA 41 -33.464 38.786 -2.482 343 H LYS 42 H LYS 42 -36.393 37.001 -1.492 344 HA LYS 42 HA LYS 42 -38.005 39.091 -2.332 345 HB2 LYS 42 1HB LYS 42 -38.362 36.651 -2.791 346 HB3 LYS 42 2HB LYS 42 -38.988 36.487 -1.156 347 HG2 LYS 42 1HG LYS 42 -40.746 38.142 -1.716 348 HG3 LYS 42 2HG LYS 42 -40.154 38.148 -3.380 349 HD2 LYS 42 1HD LYS 42 -40.663 35.471 -2.314 350 HD3 LYS 42 2HD LYS 42 -42.100 36.492 -2.389 351 HE2 LYS 42 1HE LYS 42 -41.230 37.034 -4.792 352 HE3 LYS 42 2HE LYS 42 -40.334 35.529 -4.598 353 HZ1 LYS 42 3HZ LYS 42 -42.404 34.376 -4.179 354 HZ2 LYS 42 1HZ LYS 42 -42.481 35.180 -5.666 355 HZ3 LYS 42 2HZ LYS 42 -43.276 35.819 -4.317 356 H GLU 43 H GLU 43 -37.407 37.909 0.875 357 HA GLU 43 HA GLU 43 -39.652 39.366 2.009 358 HB2 GLU 43 1HB GLU 43 -39.188 37.242 3.016 359 HB3 GLU 43 2HB GLU 43 -37.493 37.652 3.235 360 HG2 GLU 43 1HG GLU 43 -38.021 39.254 4.920 361 HG3 GLU 43 2HG GLU 43 -39.747 39.100 4.598 362 H GLU 44 H GLU 44 -36.139 39.308 2.645 363 HA GLU 44 HA GLU 44 -35.972 41.615 4.144 364 HB2 GLU 44 1HB GLU 44 -33.647 41.606 3.730 365 HB3 GLU 44 2HB GLU 44 -34.142 39.921 3.653 366 HG2 GLU 44 1HG GLU 44 -34.340 40.360 1.106 367 HG3 GLU 44 2HG GLU 44 -33.307 41.747 1.446 368 H ALA 45 H ALA 45 -36.210 41.257 0.672 369 HA ALA 45 HA ALA 45 -35.496 43.911 -0.020 370 HB1 ALA 45 1HB ALA 45 -35.441 42.120 -1.656 371 HB2 ALA 45 2HB ALA 45 -37.187 41.913 -1.518 372 HB3 ALA 45 3HB ALA 45 -36.527 43.403 -2.191 373 H GLU 46 H GLU 46 -38.732 42.423 -0.243 374 HA GLU 46 HA GLU 46 -40.146 44.811 -0.447 375 HB2 GLU 46 1HB GLU 46 -42.112 43.547 -0.076 376 HB3 GLU 46 2HB GLU 46 -40.991 42.461 -0.884 377 HG2 GLU 46 1HG GLU 46 -41.517 41.018 0.726 378 HG3 GLU 46 2HG GLU 46 -40.440 41.977 1.740 379 H LYS 47 H LYS 47 -38.768 43.262 2.315 380 HA LYS 47 HA LYS 47 -40.357 44.667 4.259 381 HB2 LYS 47 1HB LYS 47 -39.553 42.600 5.022 382 HB3 LYS 47 2HB LYS 47 -37.936 42.893 4.395 383 HG2 LYS 47 1HG LYS 47 -38.916 44.735 6.493 384 HG3 LYS 47 2HG LYS 47 -38.540 43.080 6.979 385 HD2 LYS 47 1HD LYS 47 -36.466 44.067 5.269 386 HD3 LYS 47 2HD LYS 47 -36.751 45.222 6.573 387 HE2 LYS 47 1HE LYS 47 -36.368 42.270 7.026 388 HE3 LYS 47 2HE LYS 47 -35.043 43.433 7.051 389 HZ1 LYS 47 3HZ LYS 47 -36.826 44.564 8.716 390 HZ2 LYS 47 1HZ LYS 47 -35.535 43.590 9.211 391 HZ3 LYS 47 2HZ LYS 47 -37.078 42.921 9.029 392 H ARG 48 H ARG 48 -36.994 44.881 3.116 393 HA ARG 48 HA ARG 48 -36.632 47.384 4.558 394 HB2 ARG 48 1HB ARG 48 -34.922 45.331 4.017 395 HB3 ARG 48 2HB ARG 48 -34.498 46.470 2.746 396 HG2 ARG 48 1HG ARG 48 -33.617 47.975 4.192 397 HG3 ARG 48 2HG ARG 48 -34.734 47.547 5.490 398 HD2 ARG 48 1HD ARG 48 -33.502 45.502 5.913 399 HD3 ARG 48 2HD ARG 48 -32.425 45.845 4.560 400 HE ARG 48 HE ARG 48 -32.290 46.953 7.199 401 HH11 ARG 48 1HH1 ARG 48 -31.538 47.506 3.845 402 HH12 ARG 48 2HH1 ARG 48 -30.246 48.610 4.182 403 HH21 ARG 48 1HH2 ARG 48 -30.591 48.406 7.655 404 HH22 ARG 48 2HH2 ARG 48 -29.708 49.121 6.350 405 H LYS 49 H LYS 49 -34.968 48.813 2.968 406 HA LYS 49 HA LYS 49 -36.763 49.640 0.800 407 HB2 LYS 49 1HB LYS 49 -34.665 51.074 2.406 408 HB3 LYS 49 2HB LYS 49 -35.230 51.725 0.872 409 HG2 LYS 49 1HG LYS 49 -37.219 50.968 2.960 410 HG3 LYS 49 2HG LYS 49 -36.322 52.481 3.113 411 HD2 LYS 49 1HD LYS 49 -37.054 52.835 0.632 412 HD3 LYS 49 2HD LYS 49 -38.295 51.644 1.028 413 HE2 LYS 49 1HE LYS 49 -39.446 53.484 1.660 414 HE3 LYS 49 2HE LYS 49 -38.534 53.265 3.153 415 HZ1 LYS 49 3HZ LYS 49 -37.264 54.848 1.062 416 HZ2 LYS 49 1HZ LYS 49 -37.250 55.060 2.741 417 HZ3 LYS 49 2HZ LYS 49 -38.593 55.551 1.838 418 H ALA 50 H ALA 50 -34.349 47.591 1.028 419 HA ALA 50 HA ALA 50 -33.626 47.744 -1.705 420 HB1 ALA 50 1HB ALA 50 -32.143 49.463 -1.342 421 HB2 ALA 50 2HB ALA 50 -31.737 48.914 0.285 422 HB3 ALA 50 3HB ALA 50 -31.100 48.058 -1.119 423 H GLU 51 H GLU 51 -31.540 46.259 -2.037 424 HA GLU 51 HA GLU 51 -32.053 43.849 -0.432 425 HB2 GLU 51 1HB GLU 51 -30.955 42.666 -2.387 426 HB3 GLU 51 2HB GLU 51 -32.517 43.405 -2.710 427 HG2 GLU 51 1HG GLU 51 -31.653 44.961 -4.111 428 HG3 GLU 51 2HG GLU 51 -30.116 45.043 -3.252 429 H ILE 52 H ILE 52 -29.549 46.003 -1.594 430 HA ILE 52 HA ILE 52 -27.509 44.435 -0.182 431 HB ILE 52 HB ILE 52 -27.163 46.734 -2.110 432 HG12 ILE 52 1HG1 ILE 52 -26.505 43.817 -2.532 433 HG13 ILE 52 2HG1 ILE 52 -28.026 44.541 -3.045 434 HG21 ILE 52 1HG2 ILE 52 -25.288 45.223 -0.392 435 HG22 ILE 52 2HG2 ILE 52 -24.758 45.579 -2.035 436 HG23 ILE 52 3HG2 ILE 52 -25.219 46.894 -0.954 437 HD11 ILE 52 3HD1 ILE 52 -25.408 45.682 -3.929 438 HD12 ILE 52 1HD1 ILE 52 -26.130 44.301 -4.755 439 HD13 ILE 52 2HD1 ILE 52 -27.000 45.834 -4.673 Start of MODEL 19 1 H1 MET 1 H MET 1 -3.551 -5.417 3.525 2 HA MET 1 HA MET 1 -5.783 -5.113 3.185 3 HB2 MET 1 1HB MET 1 -5.466 -4.223 6.005 4 HB3 MET 1 2HB MET 1 -6.947 -3.764 5.176 5 HG2 MET 1 1HG MET 1 -6.467 -6.508 4.657 6 HG3 MET 1 2HG MET 1 -6.283 -6.234 6.388 7 HE1 MET 1 3HE MET 1 -9.839 -7.456 6.772 8 HE2 MET 1 1HE MET 1 -8.370 -8.158 6.094 9 HE3 MET 1 2HE MET 1 -8.290 -7.211 7.580 10 H ALA 2 H ALA 2 -5.235 -3.724 1.436 11 HA ALA 2 HA ALA 2 -6.445 -1.168 1.578 12 HB1 ALA 2 1HB ALA 2 -4.686 -0.064 2.449 13 HB2 ALA 2 2HB ALA 2 -3.530 -1.307 1.967 14 HB3 ALA 2 3HB ALA 2 -4.089 -0.119 0.790 15 H VAL 3 H VAL 3 -4.231 -3.319 -0.120 16 HA VAL 3 HA VAL 3 -5.677 -2.799 -2.599 17 HB VAL 3 HB VAL 3 -2.662 -2.650 -2.509 18 HG11 VAL 3 1HG1 VAL 3 -2.677 -2.628 -4.750 19 HG12 VAL 3 2HG1 VAL 3 -4.282 -3.344 -4.593 20 HG13 VAL 3 3HG1 VAL 3 -4.110 -1.604 -4.827 21 HG21 VAL 3 3HG2 VAL 3 -2.899 -0.268 -2.953 22 HG22 VAL 3 1HG2 VAL 3 -4.655 -0.414 -2.870 23 HG23 VAL 3 2HG2 VAL 3 -3.678 -0.693 -1.428 24 H LYS 4 H LYS 4 -3.151 -4.640 -0.941 25 HA LYS 4 HA LYS 4 -2.940 -6.755 -2.764 26 HB2 LYS 4 1HB LYS 4 -2.218 -6.289 0.060 27 HB3 LYS 4 2HB LYS 4 -2.423 -7.977 -0.392 28 HG2 LYS 4 1HG LYS 4 -0.230 -7.769 -0.889 29 HG3 LYS 4 2HG LYS 4 -0.887 -7.198 -2.424 30 HD2 LYS 4 1HD LYS 4 -0.424 -5.237 -0.225 31 HD3 LYS 4 2HD LYS 4 0.957 -5.825 -1.154 32 HE2 LYS 4 1HE LYS 4 -1.013 -5.203 -3.041 33 HE3 LYS 4 2HE LYS 4 -1.048 -3.883 -1.872 34 HZ1 LYS 4 3HZ LYS 4 0.841 -4.387 -3.898 35 HZ2 LYS 4 1HZ LYS 4 1.622 -4.440 -2.399 36 HZ3 LYS 4 2HZ LYS 4 0.745 -3.065 -2.847 37 H LEU 5 H LEU 5 -4.666 -6.816 0.361 38 HA LEU 5 HA LEU 5 -6.024 -9.200 -0.045 39 HB2 LEU 5 1HB LEU 5 -6.096 -7.026 1.818 40 HB3 LEU 5 2HB LEU 5 -7.742 -7.516 1.423 41 HG LEU 5 HG LEU 5 -6.694 -9.925 1.928 42 HD11 LEU 5 1HD1 LEU 5 -5.385 -8.632 4.176 43 HD12 LEU 5 2HD1 LEU 5 -4.593 -8.291 2.638 44 HD13 LEU 5 3HD1 LEU 5 -4.834 -9.960 3.154 45 HD21 LEU 5 3HD2 LEU 5 -7.375 -8.455 4.383 46 HD22 LEU 5 1HD2 LEU 5 -8.095 -9.908 3.688 47 HD23 LEU 5 2HD2 LEU 5 -8.546 -8.319 3.070 48 H MET 6 H MET 6 -7.141 -5.885 -0.703 49 HA MET 6 HA MET 6 -8.529 -6.571 -3.041 50 HB2 MET 6 1HB MET 6 -10.865 -6.275 -2.223 51 HB3 MET 6 2HB MET 6 -10.092 -7.743 -1.638 52 HG2 MET 6 1HG MET 6 -9.511 -6.335 0.442 53 HG3 MET 6 2HG MET 6 -10.761 -5.242 -0.146 54 HE1 MET 6 3HE MET 6 -12.797 -6.208 -1.189 55 HE2 MET 6 1HE MET 6 -13.404 -7.846 -0.948 56 HE3 MET 6 2HE MET 6 -13.888 -6.556 0.153 57 H GLY 7 H GLY 7 -8.211 -4.737 -4.114 58 HA2 GLY 7 1HA GLY 7 -8.644 -2.192 -2.676 59 HA3 GLY 7 2HA GLY 7 -7.486 -2.397 -3.981 60 H VAL 8 H VAL 8 -9.645 -4.137 -5.320 61 HA VAL 8 HA VAL 8 -10.569 -2.278 -7.155 62 HB VAL 8 HB VAL 8 -10.585 -4.689 -7.586 63 HG11 VAL 8 1HG1 VAL 8 -12.977 -4.811 -5.754 64 HG12 VAL 8 2HG1 VAL 8 -12.245 -6.152 -6.637 65 HG13 VAL 8 3HG1 VAL 8 -11.359 -5.368 -5.329 66 HG21 VAL 8 3HG2 VAL 8 -13.444 -4.152 -7.914 67 HG22 VAL 8 1HG2 VAL 8 -12.395 -2.848 -8.470 68 HG23 VAL 8 2HG2 VAL 8 -12.204 -4.474 -9.125 69 H ASP 9 H ASP 9 -11.955 -3.286 -4.100 70 HA ASP 9 HA ASP 9 -14.520 -2.137 -4.482 71 HB2 ASP 9 1HB ASP 9 -12.969 -3.164 -2.150 72 HB3 ASP 9 2HB ASP 9 -14.372 -2.149 -1.830 73 H LYS 10 H LYS 10 -11.441 -0.869 -3.487 74 HA LYS 10 HA LYS 10 -12.479 1.559 -2.365 75 HB2 LYS 10 1HB LYS 10 -9.726 0.616 -3.132 76 HB3 LYS 10 2HB LYS 10 -10.014 2.271 -2.609 77 HG2 LYS 10 1HG LYS 10 -10.967 0.006 -0.918 78 HG3 LYS 10 2HG LYS 10 -9.263 0.464 -0.896 79 HD2 LYS 10 1HD LYS 10 -10.366 2.888 -0.623 80 HD3 LYS 10 2HD LYS 10 -11.638 1.913 0.116 81 HE2 LYS 10 1HE LYS 10 -10.002 0.924 1.635 82 HE3 LYS 10 2HE LYS 10 -8.720 1.872 0.883 83 HZ1 LYS 10 3HZ LYS 10 -9.809 2.716 3.045 84 HZ2 LYS 10 1HZ LYS 10 -11.070 3.223 2.037 85 HZ3 LYS 10 2HZ LYS 10 -9.505 3.820 1.800 86 H ILE 11 H ILE 11 -10.770 0.749 -5.384 87 HA ILE 11 HA ILE 11 -10.965 3.340 -6.499 88 HB ILE 11 HB ILE 11 -10.434 2.237 -8.658 89 HG12 ILE 11 1HG1 ILE 11 -9.749 -0.303 -8.195 90 HG13 ILE 11 2HG1 ILE 11 -11.064 -0.177 -7.031 91 HG21 ILE 11 1HG2 ILE 11 -8.808 1.631 -6.212 92 HG22 ILE 11 2HG2 ILE 11 -8.244 1.199 -7.826 93 HG23 ILE 11 3HG2 ILE 11 -8.560 2.887 -7.425 94 HD11 ILE 11 3HD1 ILE 11 -11.885 0.933 -9.534 95 HD12 ILE 11 1HD1 ILE 11 -11.235 -0.687 -9.778 96 HD13 ILE 11 2HD1 ILE 11 -12.556 -0.430 -8.638 97 H LYS 12 H LYS 12 -13.019 0.484 -6.676 98 HA LYS 12 HA LYS 12 -14.766 1.512 -8.678 99 HB2 LYS 12 1HB LYS 12 -14.664 -0.859 -8.380 100 HB3 LYS 12 2HB LYS 12 -15.051 -0.723 -6.670 101 HG2 LYS 12 1HG LYS 12 -17.074 0.424 -8.442 102 HG3 LYS 12 2HG LYS 12 -16.830 -1.312 -8.643 103 HD2 LYS 12 1HD LYS 12 -17.957 -1.723 -6.771 104 HD3 LYS 12 2HD LYS 12 -16.877 -0.672 -5.852 105 HE2 LYS 12 1HE LYS 12 -18.250 1.174 -6.103 106 HE3 LYS 12 2HE LYS 12 -19.037 0.521 -7.539 107 HZ1 LYS 12 3HZ LYS 12 -20.676 0.050 -6.108 108 HZ2 LYS 12 1HZ LYS 12 -19.675 0.130 -4.746 109 HZ3 LYS 12 2HZ LYS 12 -19.722 -1.280 -5.679 110 H SER 13 H SER 13 -14.554 1.836 -5.231 111 HA SER 13 HA SER 13 -17.239 2.946 -5.022 112 HB2 SER 13 1HB SER 13 -16.415 1.458 -3.235 113 HB3 SER 13 2HB SER 13 -15.106 2.592 -2.901 114 HG SER 13 HG SER 13 -16.468 3.899 -1.926 115 H LYS 14 H LYS 14 -13.954 3.981 -5.297 116 HA LYS 14 HA LYS 14 -14.146 6.556 -4.193 117 HB2 LYS 14 1HB LYS 14 -12.098 5.148 -5.124 118 HB3 LYS 14 2HB LYS 14 -12.416 6.086 -6.578 119 HG2 LYS 14 1HG LYS 14 -11.731 7.142 -3.846 120 HG3 LYS 14 2HG LYS 14 -10.733 7.200 -5.301 121 HD2 LYS 14 1HD LYS 14 -13.391 8.586 -4.941 122 HD3 LYS 14 2HD LYS 14 -11.808 9.360 -4.832 123 HE2 LYS 14 1HE LYS 14 -12.016 7.874 -7.280 124 HE3 LYS 14 2HE LYS 14 -13.386 8.973 -7.124 125 HZ1 LYS 14 3HZ LYS 14 -10.504 9.641 -7.139 126 HZ2 LYS 14 1HZ LYS 14 -11.674 10.729 -6.582 127 HZ3 LYS 14 2HZ LYS 14 -11.713 10.194 -8.185 128 H ILE 15 H ILE 15 -14.011 5.797 -7.675 129 HA ILE 15 HA ILE 15 -14.940 8.278 -8.548 130 HB ILE 15 HB ILE 15 -15.379 5.668 -9.996 131 HG12 ILE 15 1HG1 ILE 15 -13.050 6.997 -10.925 132 HG13 ILE 15 2HG1 ILE 15 -12.921 6.889 -9.173 133 HG21 ILE 15 1HG2 ILE 15 -16.525 7.532 -11.006 134 HG22 ILE 15 2HG2 ILE 15 -15.059 8.510 -10.948 135 HG23 ILE 15 3HG2 ILE 15 -15.136 7.098 -12.002 136 HD11 ILE 15 3HD1 ILE 15 -13.742 4.380 -9.817 137 HD12 ILE 15 1HD1 ILE 15 -12.743 4.803 -11.207 138 HD13 ILE 15 2HD1 ILE 15 -12.065 4.871 -9.579 139 H LEU 16 H LEU 16 -16.705 5.316 -7.771 140 HA LEU 16 HA LEU 16 -19.234 6.124 -8.676 141 HB2 LEU 16 1HB LEU 16 -18.208 4.095 -6.769 142 HB3 LEU 16 2HB LEU 16 -19.923 4.495 -6.688 143 HG LEU 16 HG LEU 16 -19.320 2.482 -8.076 144 HD11 LEU 16 1HD1 LEU 16 -20.977 4.780 -8.916 145 HD12 LEU 16 2HD1 LEU 16 -21.434 3.111 -8.580 146 HD13 LEU 16 3HD1 LEU 16 -20.686 3.527 -10.122 147 HD21 LEU 16 3HD2 LEU 16 -18.536 4.347 -10.258 148 HD22 LEU 16 1HD2 LEU 16 -18.149 2.641 -10.034 149 HD23 LEU 16 2HD2 LEU 16 -17.316 3.868 -9.078 150 H ASP 17 H ASP 17 -18.000 6.093 -5.326 151 HA ASP 17 HA ASP 17 -20.149 7.535 -4.231 152 HB2 ASP 17 1HB ASP 17 -18.361 6.152 -3.017 153 HB3 ASP 17 2HB ASP 17 -17.348 7.590 -3.122 154 H ASP 18 H ASP 18 -17.087 8.573 -5.621 155 HA ASP 18 HA ASP 18 -17.222 11.278 -4.840 156 HB2 ASP 18 1HB ASP 18 -15.120 10.471 -5.588 157 HB3 ASP 18 2HB ASP 18 -15.802 9.872 -7.098 158 H ALA 19 H ALA 19 -17.987 9.783 -7.989 159 HA ALA 19 HA ALA 19 -18.977 12.014 -9.279 160 HB1 ALA 19 1HB ALA 19 -18.600 9.982 -10.486 161 HB2 ALA 19 2HB ALA 19 -19.824 9.134 -9.540 162 HB3 ALA 19 3HB ALA 19 -20.302 10.414 -10.656 163 H LYS 20 H LYS 20 -20.940 9.551 -7.595 164 HA LYS 20 HA LYS 20 -23.386 10.852 -7.777 165 HB2 LYS 20 1HB LYS 20 -24.155 9.398 -6.040 166 HB3 LYS 20 2HB LYS 20 -23.002 8.493 -7.013 167 HG2 LYS 20 1HG LYS 20 -21.277 8.859 -5.335 168 HG3 LYS 20 2HG LYS 20 -22.412 9.800 -4.364 169 HD2 LYS 20 1HD LYS 20 -23.887 7.671 -4.472 170 HD3 LYS 20 2HD LYS 20 -22.387 6.858 -4.926 171 HE2 LYS 20 1HE LYS 20 -21.487 8.195 -2.812 172 HE3 LYS 20 2HE LYS 20 -23.184 8.093 -2.347 173 HZ1 LYS 20 3HZ LYS 20 -21.536 5.751 -3.126 174 HZ2 LYS 20 1HZ LYS 20 -23.100 5.728 -2.479 175 HZ3 LYS 20 2HZ LYS 20 -21.797 6.233 -1.525 176 H ALA 21 H ALA 21 -20.763 11.288 -5.486 177 HA ALA 21 HA ALA 21 -22.193 12.904 -3.641 178 HB1 ALA 21 1HB ALA 21 -19.977 13.509 -2.772 179 HB2 ALA 21 2HB ALA 21 -20.147 11.767 -2.998 180 HB3 ALA 21 3HB ALA 21 -19.228 12.722 -4.162 181 H GLU 22 H GLU 22 -20.062 13.659 -6.379 182 HA GLU 22 HA GLU 22 -20.073 16.448 -6.081 183 HB2 GLU 22 1HB GLU 22 -18.806 14.717 -7.741 184 HB3 GLU 22 2HB GLU 22 -19.991 15.403 -8.843 185 HG2 GLU 22 1HG GLU 22 -18.894 17.331 -8.990 186 HG3 GLU 22 2HG GLU 22 -18.654 17.426 -7.247 187 H ALA 23 H ALA 23 -22.364 14.253 -7.547 188 HA ALA 23 HA ALA 23 -23.915 16.421 -8.708 189 HB1 ALA 23 1HB ALA 23 -23.636 14.273 -9.906 190 HB2 ALA 23 2HB ALA 23 -24.548 13.475 -8.624 191 HB3 ALA 23 3HB ALA 23 -25.325 14.699 -9.628 192 H ASN 24 H ASN 24 -23.765 14.650 -5.790 193 HA ASN 24 HA ASN 24 -26.538 15.173 -5.078 194 HB2 ASN 24 1HB ASN 24 -24.309 13.571 -3.918 195 HB3 ASN 24 2HB ASN 24 -25.554 14.157 -2.818 196 HD21 ASN 24 2HD2 ASN 24 -24.815 11.443 -3.832 197 HD22 ASN 24 1HD2 ASN 24 -26.296 10.782 -4.430 198 H LYS 25 H LYS 25 -23.436 16.583 -4.698 199 HA LYS 25 HA LYS 25 -24.196 18.172 -2.387 200 HB2 LYS 25 1HB LYS 25 -21.923 19.155 -2.639 201 HB3 LYS 25 2HB LYS 25 -21.913 17.405 -2.461 202 HG2 LYS 25 1HG LYS 25 -20.472 17.537 -4.185 203 HG3 LYS 25 2HG LYS 25 -21.962 17.569 -5.132 204 HD2 LYS 25 1HD LYS 25 -20.676 19.343 -5.974 205 HD3 LYS 25 2HD LYS 25 -21.850 20.110 -4.901 206 HE2 LYS 25 1HE LYS 25 -20.084 21.119 -3.972 207 HE3 LYS 25 2HE LYS 25 -19.761 19.562 -3.211 208 HZ1 LYS 25 3HZ LYS 25 -18.683 20.279 -5.873 209 HZ2 LYS 25 1HZ LYS 25 -18.195 19.020 -4.854 210 HZ3 LYS 25 2HZ LYS 25 -17.855 20.623 -4.439 211 H ILE 26 H ILE 26 -23.905 18.491 -5.850 212 HA ILE 26 HA ILE 26 -24.003 21.328 -5.955 213 HB ILE 26 HB ILE 26 -24.624 21.018 -8.334 214 HG12 ILE 26 1HG1 ILE 26 -24.283 18.386 -8.907 215 HG13 ILE 26 2HG1 ILE 26 -25.114 18.271 -7.359 216 HG21 ILE 26 1HG2 ILE 26 -22.541 19.556 -8.877 217 HG22 ILE 26 2HG2 ILE 26 -22.336 21.100 -8.052 218 HG23 ILE 26 3HG2 ILE 26 -22.288 19.596 -7.132 219 HD11 ILE 26 3HD1 ILE 26 -26.076 19.530 -9.903 220 HD12 ILE 26 1HD1 ILE 26 -26.793 18.204 -8.987 221 HD13 ILE 26 2HD1 ILE 26 -26.839 19.846 -8.344 222 H ILE 27 H ILE 27 -26.434 18.809 -5.836 223 HA ILE 27 HA ILE 27 -28.622 20.570 -6.454 224 HB ILE 27 HB ILE 27 -30.048 18.645 -5.738 225 HG12 ILE 27 1HG1 ILE 27 -28.051 16.612 -5.764 226 HG13 ILE 27 2HG1 ILE 27 -27.592 17.804 -4.553 227 HG21 ILE 27 1HG2 ILE 27 -28.123 17.438 -7.617 228 HG22 ILE 27 2HG2 ILE 27 -29.859 17.701 -7.779 229 HG23 ILE 27 3HG2 ILE 27 -28.737 19.034 -8.051 230 HD11 ILE 27 3HD1 ILE 27 -29.362 17.329 -3.218 231 HD12 ILE 27 1HD1 ILE 27 -30.404 16.876 -4.567 232 HD13 ILE 27 2HD1 ILE 27 -29.165 15.758 -3.995 233 H SER 28 H SER 28 -27.024 19.408 -3.576 234 HA SER 28 HA SER 28 -29.085 20.363 -1.794 235 HB2 SER 28 1HB SER 28 -26.488 18.945 -1.505 236 HB3 SER 28 2HB SER 28 -27.030 19.906 -0.129 237 HG SER 28 HG SER 28 -27.741 17.540 -0.485 238 H GLU 29 H GLU 29 -25.808 21.349 -2.722 239 HA GLU 29 HA GLU 29 -25.705 23.609 -1.012 240 HB2 GLU 29 1HB GLU 29 -23.811 22.320 -2.317 241 HB3 GLU 29 2HB GLU 29 -24.154 23.509 -3.566 242 HG2 GLU 29 1HG GLU 29 -22.424 24.473 -2.378 243 HG3 GLU 29 2HG GLU 29 -23.854 25.248 -1.700 244 H ALA 30 H ALA 30 -27.135 23.029 -4.097 245 HA ALA 30 HA ALA 30 -27.351 25.838 -4.779 246 HB1 ALA 30 1HB ALA 30 -28.374 23.334 -6.102 247 HB2 ALA 30 2HB ALA 30 -28.693 24.958 -6.711 248 HB3 ALA 30 3HB ALA 30 -27.036 24.363 -6.616 249 H GLU 31 H GLU 31 -29.763 23.233 -4.378 250 HA GLU 31 HA GLU 31 -32.016 24.810 -4.213 251 HB2 GLU 31 1HB GLU 31 -33.136 22.953 -3.273 252 HB3 GLU 31 2HB GLU 31 -31.877 22.276 -4.296 253 HG2 GLU 31 1HG GLU 31 -31.620 20.980 -2.449 254 HG3 GLU 31 2HG GLU 31 -30.506 22.289 -2.055 255 H ALA 32 H ALA 32 -29.591 24.199 -1.785 256 HA ALA 32 HA ALA 32 -31.060 25.114 0.461 257 HB1 ALA 32 1HB ALA 32 -28.084 24.960 0.001 258 HB2 ALA 32 2HB ALA 32 -28.851 25.287 1.555 259 HB3 ALA 32 3HB ALA 32 -29.103 23.735 0.757 260 H GLU 33 H GLU 33 -28.216 26.724 -0.956 261 HA GLU 33 HA GLU 33 -28.664 29.222 0.129 262 HB2 GLU 33 1HB GLU 33 -27.222 30.101 -1.673 263 HB3 GLU 33 2HB GLU 33 -26.563 28.646 -0.938 264 HG2 GLU 33 1HG GLU 33 -27.724 27.416 -2.888 265 HG3 GLU 33 2HG GLU 33 -27.777 29.008 -3.643 266 H LYS 34 H LYS 34 -29.857 27.895 -2.924 267 HA LYS 34 HA LYS 34 -31.015 30.203 -3.975 268 HB2 LYS 34 1HB LYS 34 -30.816 28.274 -5.364 269 HB3 LYS 34 2HB LYS 34 -31.762 27.293 -4.252 270 HG2 LYS 34 1HG LYS 34 -33.733 28.710 -4.759 271 HG3 LYS 34 2HG LYS 34 -32.764 29.552 -5.970 272 HD2 LYS 34 1HD LYS 34 -32.813 26.600 -6.139 273 HD3 LYS 34 2HD LYS 34 -34.316 27.436 -6.535 274 HE2 LYS 34 1HE LYS 34 -33.161 27.236 -8.573 275 HE3 LYS 34 2HE LYS 34 -32.916 28.906 -8.064 276 HZ1 LYS 34 3HZ LYS 34 -30.930 26.882 -7.303 277 HZ2 LYS 34 1HZ LYS 34 -30.724 28.537 -7.588 278 HZ3 LYS 34 2HZ LYS 34 -30.924 27.474 -8.888 279 H ALA 35 H ALA 35 -32.729 27.579 -2.263 280 HA ALA 35 HA ALA 35 -35.147 28.937 -1.953 281 HB1 ALA 35 1HB ALA 35 -34.844 26.505 -1.637 282 HB2 ALA 35 2HB ALA 35 -34.014 26.832 -0.115 283 HB3 ALA 35 3HB ALA 35 -35.713 27.268 -0.305 284 H LYS 36 H LYS 36 -32.158 29.413 -0.385 285 HA LYS 36 HA LYS 36 -33.259 30.575 2.021 286 HB2 LYS 36 1HB LYS 36 -30.995 29.364 1.774 287 HB3 LYS 36 2HB LYS 36 -30.417 30.872 1.078 288 HG2 LYS 36 1HG LYS 36 -30.957 32.057 3.121 289 HG3 LYS 36 2HG LYS 36 -31.629 30.582 3.820 290 HD2 LYS 36 1HD LYS 36 -29.476 30.712 4.725 291 HD3 LYS 36 2HD LYS 36 -29.314 29.559 3.398 292 HE2 LYS 36 1HE LYS 36 -28.732 31.755 2.043 293 HE3 LYS 36 2HE LYS 36 -28.290 32.342 3.645 294 HZ1 LYS 36 3HZ LYS 36 -27.264 29.722 3.077 295 HZ2 LYS 36 1HZ LYS 36 -26.464 31.091 3.666 296 HZ3 LYS 36 2HZ LYS 36 -26.693 30.897 2.002 297 H ILE 37 H ILE 37 -31.406 31.804 -0.766 298 HA ILE 37 HA ILE 37 -31.772 34.538 -0.044 299 HB ILE 37 HB ILE 37 -30.930 35.013 -2.350 300 HG12 ILE 37 1HG1 ILE 37 -30.105 32.232 -2.791 301 HG13 ILE 37 2HG1 ILE 37 -31.843 32.483 -2.923 302 HG21 ILE 37 1HG2 ILE 37 -29.490 34.627 -0.306 303 HG22 ILE 37 2HG2 ILE 37 -29.200 33.005 -0.933 304 HG23 ILE 37 3HG2 ILE 37 -28.697 34.414 -1.867 305 HD11 ILE 37 3HD1 ILE 37 -30.743 32.682 -5.079 306 HD12 ILE 37 1HD1 ILE 37 -31.473 34.212 -4.593 307 HD13 ILE 37 2HD1 ILE 37 -29.729 33.982 -4.451 308 H LEU 38 H LEU 38 -33.539 32.255 -1.998 309 HA LEU 38 HA LEU 38 -35.106 34.105 -3.453 310 HB2 LEU 38 1HB LEU 38 -35.191 31.210 -2.868 311 HB3 LEU 38 2HB LEU 38 -36.717 31.958 -3.335 312 HG LEU 38 HG LEU 38 -35.564 30.931 -5.238 313 HD11 LEU 38 1HD1 LEU 38 -36.302 32.521 -6.634 314 HD12 LEU 38 2HD1 LEU 38 -35.269 33.763 -5.928 315 HD13 LEU 38 3HD1 LEU 38 -36.801 33.349 -5.159 316 HD21 LEU 38 3HD2 LEU 38 -33.511 32.260 -6.065 317 HD22 LEU 38 1HD2 LEU 38 -33.289 31.058 -4.794 318 HD23 LEU 38 2HD2 LEU 38 -33.362 32.772 -4.383 319 H GLU 39 H GLU 39 -35.492 32.573 -0.308 320 HA GLU 39 HA GLU 39 -38.100 33.811 0.070 321 HB2 GLU 39 1HB GLU 39 -36.463 31.849 1.650 322 HB3 GLU 39 2HB GLU 39 -37.842 32.662 2.378 323 HG2 GLU 39 1HG GLU 39 -38.512 31.542 -0.199 324 HG3 GLU 39 2HG GLU 39 -37.873 30.320 0.899 325 H LYS 40 H LYS 40 -34.780 34.220 1.024 326 HA LYS 40 HA LYS 40 -35.327 36.046 3.170 327 HB2 LYS 40 1HB LYS 40 -33.277 34.670 3.101 328 HB3 LYS 40 2HB LYS 40 -32.752 35.541 1.665 329 HG2 LYS 40 1HG LYS 40 -31.885 37.173 2.887 330 HG3 LYS 40 2HG LYS 40 -33.385 37.372 3.796 331 HD2 LYS 40 1HD LYS 40 -32.618 35.233 5.046 332 HD3 LYS 40 2HD LYS 40 -31.026 35.626 4.392 333 HE2 LYS 40 1HE LYS 40 -32.619 37.725 5.801 334 HE3 LYS 40 2HE LYS 40 -31.738 36.520 6.738 335 HZ1 LYS 40 3HZ LYS 40 -29.702 37.228 5.835 336 HZ2 LYS 40 1HZ LYS 40 -30.524 38.650 6.244 337 HZ3 LYS 40 2HZ LYS 40 -30.448 38.151 4.629 338 H ALA 41 H ALA 41 -34.175 36.367 -0.175 339 HA ALA 41 HA ALA 41 -33.999 39.204 -0.106 340 HB1 ALA 41 1HB ALA 41 -33.630 39.082 -2.468 341 HB2 ALA 41 2HB ALA 41 -32.771 37.743 -1.705 342 HB3 ALA 41 3HB ALA 41 -34.298 37.452 -2.538 343 H LYS 42 H LYS 42 -36.370 37.009 -1.618 344 HA LYS 42 HA LYS 42 -38.134 38.927 -2.567 345 HB2 LYS 42 1HB LYS 42 -38.201 36.463 -3.043 346 HB3 LYS 42 2HB LYS 42 -38.916 36.229 -1.453 347 HG2 LYS 42 1HG LYS 42 -40.922 37.150 -2.065 348 HG3 LYS 42 2HG LYS 42 -40.204 38.139 -3.339 349 HD2 LYS 42 1HD LYS 42 -40.299 35.139 -3.506 350 HD3 LYS 42 2HD LYS 42 -41.632 36.151 -4.066 351 HE2 LYS 42 1HE LYS 42 -39.356 37.300 -5.178 352 HE3 LYS 42 2HE LYS 42 -39.094 35.563 -5.328 353 HZ1 LYS 42 3HZ LYS 42 -41.707 35.960 -6.065 354 HZ2 LYS 42 1HZ LYS 42 -40.403 35.652 -7.099 355 HZ3 LYS 42 2HZ LYS 42 -40.871 37.246 -6.779 356 H GLU 43 H GLU 43 -37.646 37.758 0.671 357 HA GLU 43 HA GLU 43 -40.093 38.957 1.665 358 HB2 GLU 43 1HB GLU 43 -39.368 36.880 2.677 359 HB3 GLU 43 2HB GLU 43 -37.804 37.578 3.075 360 HG2 GLU 43 1HG GLU 43 -38.571 38.525 4.940 361 HG3 GLU 43 2HG GLU 43 -40.049 39.085 4.160 362 H GLU 44 H GLU 44 -36.646 39.328 2.521 363 HA GLU 44 HA GLU 44 -36.853 41.641 4.002 364 HB2 GLU 44 1HB GLU 44 -34.516 41.942 3.686 365 HB3 GLU 44 2HB GLU 44 -34.802 40.208 3.680 366 HG2 GLU 44 1HG GLU 44 -34.912 40.485 1.109 367 HG3 GLU 44 2HG GLU 44 -34.084 42.011 1.412 368 H ALA 45 H ALA 45 -36.748 41.264 0.514 369 HA ALA 45 HA ALA 45 -36.344 43.974 -0.157 370 HB1 ALA 45 1HB ALA 45 -35.962 42.320 -1.822 371 HB2 ALA 45 2HB ALA 45 -37.611 41.709 -1.682 372 HB3 ALA 45 3HB ALA 45 -37.318 43.306 -2.370 373 H GLU 46 H GLU 46 -39.373 42.108 -0.470 374 HA GLU 46 HA GLU 46 -41.057 44.285 -0.841 375 HB2 GLU 46 1HB GLU 46 -42.885 42.803 -0.287 376 HB3 GLU 46 2HB GLU 46 -41.692 41.922 -1.231 377 HG2 GLU 46 1HG GLU 46 -40.821 40.904 0.807 378 HG3 GLU 46 2HG GLU 46 -42.009 41.792 1.760 379 H LYS 47 H LYS 47 -39.888 42.812 2.129 380 HA LYS 47 HA LYS 47 -41.605 44.205 3.900 381 HB2 LYS 47 1HB LYS 47 -40.016 42.127 4.262 382 HB3 LYS 47 2HB LYS 47 -38.861 43.365 4.737 383 HG2 LYS 47 1HG LYS 47 -39.982 42.498 6.683 384 HG3 LYS 47 2HG LYS 47 -40.457 44.178 6.422 385 HD2 LYS 47 1HD LYS 47 -42.192 42.242 5.083 386 HD3 LYS 47 2HD LYS 47 -42.175 42.082 6.841 387 HE2 LYS 47 1HE LYS 47 -42.468 44.786 5.608 388 HE3 LYS 47 2HE LYS 47 -43.860 43.706 5.669 389 HZ1 LYS 47 3HZ LYS 47 -42.306 44.804 7.936 390 HZ2 LYS 47 1HZ LYS 47 -43.358 43.492 8.116 391 HZ3 LYS 47 2HZ LYS 47 -43.955 44.991 7.611 392 H ARG 48 H ARG 48 -38.210 44.771 2.973 393 HA ARG 48 HA ARG 48 -38.515 47.546 3.918 394 HB2 ARG 48 1HB ARG 48 -35.937 46.000 3.614 395 HB3 ARG 48 2HB ARG 48 -36.136 47.593 4.331 396 HG2 ARG 48 1HG ARG 48 -37.673 46.419 6.019 397 HG3 ARG 48 2HG ARG 48 -36.943 44.927 5.424 398 HD2 ARG 48 1HD ARG 48 -34.802 45.556 6.153 399 HD3 ARG 48 2HD ARG 48 -35.273 47.244 6.346 400 HE ARG 48 HE ARG 48 -36.726 45.462 8.060 401 HH11 ARG 48 1HH1 ARG 48 -33.785 47.287 7.689 402 HH12 ARG 48 2HH1 ARG 48 -33.488 47.402 9.392 403 HH21 ARG 48 1HH2 ARG 48 -36.346 45.606 10.304 404 HH22 ARG 48 2HH2 ARG 48 -34.945 46.445 10.879 405 H LYS 49 H LYS 49 -39.513 47.821 1.729 406 HA LYS 49 HA LYS 49 -37.542 47.950 -0.437 407 HB2 LYS 49 1HB LYS 49 -39.387 48.113 -1.949 408 HB3 LYS 49 2HB LYS 49 -39.753 46.824 -0.810 409 HG2 LYS 49 1HG LYS 49 -41.747 47.853 -0.715 410 HG3 LYS 49 2HG LYS 49 -40.919 48.891 0.449 411 HD2 LYS 49 1HD LYS 49 -41.324 50.644 -0.855 412 HD3 LYS 49 2HD LYS 49 -40.356 49.904 -2.132 413 HE2 LYS 49 1HE LYS 49 -42.276 49.976 -3.301 414 HE3 LYS 49 2HE LYS 49 -42.675 48.525 -2.382 415 HZ1 LYS 49 3HZ LYS 49 -43.596 51.294 -1.948 416 HZ2 LYS 49 1HZ LYS 49 -43.628 50.168 -0.686 417 HZ3 LYS 49 2HZ LYS 49 -44.513 49.880 -2.097 418 H ALA 50 H ALA 50 -37.752 49.882 -1.917 419 HA ALA 50 HA ALA 50 -38.148 52.327 -0.317 420 HB1 ALA 50 1HB ALA 50 -36.365 52.798 -2.494 421 HB2 ALA 50 2HB ALA 50 -36.063 52.936 -0.762 422 HB3 ALA 50 3HB ALA 50 -35.804 51.397 -1.582 423 H GLU 51 H GLU 51 -39.188 54.050 -1.256 424 HA GLU 51 HA GLU 51 -40.781 53.429 -3.600 425 HB2 GLU 51 1HB GLU 51 -40.856 55.488 -1.451 426 HB3 GLU 51 2HB GLU 51 -41.595 55.893 -2.994 427 HG2 GLU 51 1HG GLU 51 -42.767 53.573 -2.696 428 HG3 GLU 51 2HG GLU 51 -42.384 53.837 -0.995 429 H ILE 52 H ILE 52 -38.068 55.418 -2.717 430 HA ILE 52 HA ILE 52 -38.162 57.139 -4.992 431 HB ILE 52 HB ILE 52 -35.853 57.755 -4.371 432 HG12 ILE 52 1HG1 ILE 52 -36.100 55.918 -2.004 433 HG13 ILE 52 2HG1 ILE 52 -35.387 55.354 -3.511 434 HG21 ILE 52 1HG2 ILE 52 -38.031 57.730 -2.325 435 HG22 ILE 52 2HG2 ILE 52 -36.464 58.440 -1.944 436 HG23 ILE 52 3HG2 ILE 52 -37.415 59.072 -3.288 437 HD11 ILE 52 3HD1 ILE 52 -34.381 57.403 -1.592 438 HD12 ILE 52 1HD1 ILE 52 -33.548 56.018 -2.297 439 HD13 ILE 52 2HD1 ILE 52 -33.877 57.444 -3.281 Start of MODEL 20 1 H1 MET 1 H MET 1 -6.517 -11.824 2.198 2 HA MET 1 HA MET 1 -5.075 -10.626 0.846 3 HB2 MET 1 1HB MET 1 -3.501 -12.786 1.397 4 HB3 MET 1 2HB MET 1 -3.698 -12.940 -0.344 5 HG2 MET 1 1HG MET 1 -3.134 -10.236 0.145 6 HG3 MET 1 2HG MET 1 -2.021 -11.166 1.145 7 HE1 MET 1 3HE MET 1 0.448 -10.678 -0.403 8 HE2 MET 1 1HE MET 1 -0.112 -12.029 0.583 9 HE3 MET 1 2HE MET 1 0.599 -12.330 -1.003 10 H ALA 2 H ALA 2 -6.494 -9.919 -0.635 11 HA ALA 2 HA ALA 2 -6.571 -11.098 -3.208 12 HB1 ALA 2 1HB ALA 2 -9.248 -11.285 -2.928 13 HB2 ALA 2 2HB ALA 2 -8.142 -12.651 -2.770 14 HB3 ALA 2 3HB ALA 2 -8.721 -11.813 -1.329 15 H VAL 3 H VAL 3 -8.091 -8.929 -0.884 16 HA VAL 3 HA VAL 3 -9.158 -7.195 -2.928 17 HB VAL 3 HB VAL 3 -8.910 -6.693 0.041 18 HG11 VAL 3 1HG1 VAL 3 -9.630 -4.648 -0.445 19 HG12 VAL 3 2HG1 VAL 3 -9.783 -5.059 -2.154 20 HG13 VAL 3 3HG1 VAL 3 -11.124 -5.364 -1.049 21 HG21 VAL 3 3HG2 VAL 3 -11.385 -7.290 -0.017 22 HG22 VAL 3 1HG2 VAL 3 -11.061 -8.004 -1.597 23 HG23 VAL 3 2HG2 VAL 3 -10.240 -8.623 -0.164 24 H LYS 4 H LYS 4 -6.299 -7.371 -0.938 25 HA LYS 4 HA LYS 4 -5.361 -4.777 -1.022 26 HB2 LYS 4 1HB LYS 4 -4.321 -7.310 -0.354 27 HB3 LYS 4 2HB LYS 4 -3.184 -6.604 -1.495 28 HG2 LYS 4 1HG LYS 4 -2.299 -5.550 0.246 29 HG3 LYS 4 2HG LYS 4 -3.735 -4.524 0.230 30 HD2 LYS 4 1HD LYS 4 -3.789 -7.146 1.668 31 HD3 LYS 4 2HD LYS 4 -3.032 -5.742 2.425 32 HE2 LYS 4 1HE LYS 4 -5.614 -5.101 1.272 33 HE3 LYS 4 2HE LYS 4 -5.728 -6.398 2.460 34 HZ1 LYS 4 3HZ LYS 4 -4.550 -4.973 4.041 35 HZ2 LYS 4 1HZ LYS 4 -5.995 -4.265 3.519 36 HZ3 LYS 4 2HZ LYS 4 -4.517 -3.723 2.902 37 H LEU 5 H LEU 5 -4.248 -7.327 -3.257 38 HA LEU 5 HA LEU 5 -3.082 -5.559 -5.095 39 HB2 LEU 5 1HB LEU 5 -3.781 -8.412 -5.015 40 HB3 LEU 5 2HB LEU 5 -3.689 -7.714 -6.630 41 HG LEU 5 HG LEU 5 -1.585 -8.755 -6.034 42 HD11 LEU 5 1HD1 LEU 5 -0.256 -7.106 -6.864 43 HD12 LEU 5 2HD1 LEU 5 -0.924 -5.872 -5.797 44 HD13 LEU 5 3HD1 LEU 5 -1.833 -6.397 -7.213 45 HD21 LEU 5 3HD2 LEU 5 -0.373 -8.323 -4.124 46 HD22 LEU 5 1HD2 LEU 5 -2.025 -8.244 -3.513 47 HD23 LEU 5 2HD2 LEU 5 -1.141 -6.757 -3.859 48 H MET 6 H MET 6 -5.887 -7.603 -5.870 49 HA MET 6 HA MET 6 -6.781 -5.816 -7.899 50 HB2 MET 6 1HB MET 6 -7.668 -8.396 -6.759 51 HB3 MET 6 2HB MET 6 -8.930 -7.409 -7.483 52 HG2 MET 6 1HG MET 6 -6.546 -7.597 -9.138 53 HG3 MET 6 2HG MET 6 -7.285 -9.161 -8.803 54 HE1 MET 6 3HE MET 6 -9.040 -9.122 -12.034 55 HE2 MET 6 1HE MET 6 -7.650 -9.657 -11.089 56 HE3 MET 6 2HE MET 6 -9.284 -10.037 -10.545 57 H GLY 7 H GLY 7 -6.962 -3.833 -6.688 58 HA2 GLY 7 1HA GLY 7 -9.086 -3.690 -4.693 59 HA3 GLY 7 2HA GLY 7 -7.982 -2.396 -5.134 60 H VAL 8 H VAL 8 -10.085 -4.371 -7.199 61 HA VAL 8 HA VAL 8 -10.932 -2.217 -8.778 62 HB VAL 8 HB VAL 8 -12.453 -4.789 -8.341 63 HG11 VAL 8 1HG1 VAL 8 -12.766 -4.169 -10.942 64 HG12 VAL 8 2HG1 VAL 8 -13.879 -3.653 -9.674 65 HG13 VAL 8 3HG1 VAL 8 -12.630 -2.551 -10.254 66 HG21 VAL 8 3HG2 VAL 8 -10.440 -5.669 -8.962 67 HG22 VAL 8 1HG2 VAL 8 -11.100 -5.312 -10.558 68 HG23 VAL 8 2HG2 VAL 8 -9.939 -4.210 -9.817 69 H ASP 9 H ASP 9 -12.221 -3.579 -5.822 70 HA ASP 9 HA ASP 9 -14.745 -2.287 -5.909 71 HB2 ASP 9 1HB ASP 9 -13.136 -3.686 -3.822 72 HB3 ASP 9 2HB ASP 9 -14.474 -2.669 -3.295 73 H LYS 10 H LYS 10 -11.567 -1.294 -4.913 74 HA LYS 10 HA LYS 10 -12.438 0.999 -3.423 75 HB2 LYS 10 1HB LYS 10 -10.305 -0.052 -2.907 76 HB3 LYS 10 2HB LYS 10 -9.728 0.258 -4.539 77 HG2 LYS 10 1HG LYS 10 -9.078 2.316 -4.016 78 HG3 LYS 10 2HG LYS 10 -10.613 2.683 -3.227 79 HD2 LYS 10 1HD LYS 10 -9.779 1.343 -1.255 80 HD3 LYS 10 2HD LYS 10 -8.199 1.325 -2.043 81 HE2 LYS 10 1HE LYS 10 -9.595 3.932 -1.675 82 HE3 LYS 10 2HE LYS 10 -8.827 3.177 -0.279 83 HZ1 LYS 10 3HZ LYS 10 -7.560 4.780 -1.995 84 HZ2 LYS 10 1HZ LYS 10 -7.208 3.273 -2.678 85 HZ3 LYS 10 2HZ LYS 10 -6.785 3.593 -1.072 86 H ILE 11 H ILE 11 -10.904 0.539 -6.604 87 HA ILE 11 HA ILE 11 -11.020 3.263 -7.350 88 HB ILE 11 HB ILE 11 -10.645 2.442 -9.663 89 HG12 ILE 11 1HG1 ILE 11 -10.064 -0.165 -9.577 90 HG13 ILE 11 2HG1 ILE 11 -11.318 -0.141 -8.342 91 HG21 ILE 11 1HG2 ILE 11 -8.433 1.904 -9.298 92 HG22 ILE 11 2HG2 ILE 11 -8.870 2.674 -7.774 93 HG23 ILE 11 3HG2 ILE 11 -8.796 0.915 -7.884 94 HD11 ILE 11 3HD1 ILE 11 -11.637 -0.272 -11.118 95 HD12 ILE 11 1HD1 ILE 11 -12.892 -0.109 -9.890 96 HD13 ILE 11 2HD1 ILE 11 -12.193 1.330 -10.633 97 H LYS 12 H LYS 12 -13.220 0.550 -7.806 98 HA LYS 12 HA LYS 12 -15.002 1.920 -9.557 99 HB2 LYS 12 1HB LYS 12 -14.998 -0.475 -9.586 100 HB3 LYS 12 2HB LYS 12 -15.316 -0.556 -7.858 101 HG2 LYS 12 1HG LYS 12 -17.337 0.902 -9.401 102 HG3 LYS 12 2HG LYS 12 -17.195 -0.813 -9.795 103 HD2 LYS 12 1HD LYS 12 -18.310 -1.347 -7.948 104 HD3 LYS 12 2HD LYS 12 -17.106 -0.516 -6.960 105 HE2 LYS 12 1HE LYS 12 -18.381 1.341 -6.734 106 HE3 LYS 12 2HE LYS 12 -19.060 1.202 -8.354 107 HZ1 LYS 12 3HZ LYS 12 -20.798 0.814 -6.812 108 HZ2 LYS 12 1HZ LYS 12 -19.875 -0.295 -5.928 109 HZ3 LYS 12 2HZ LYS 12 -20.408 -0.688 -7.485 110 H SER 13 H SER 13 -14.621 1.751 -6.113 111 HA SER 13 HA SER 13 -17.235 2.933 -5.615 112 HB2 SER 13 1HB SER 13 -16.374 1.173 -4.098 113 HB3 SER 13 2HB SER 13 -15.029 2.227 -3.663 114 HG SER 13 HG SER 13 -17.784 2.577 -3.130 115 H LYS 14 H LYS 14 -13.922 3.861 -5.923 116 HA LYS 14 HA LYS 14 -13.944 6.267 -4.472 117 HB2 LYS 14 1HB LYS 14 -12.006 4.916 -5.680 118 HB3 LYS 14 2HB LYS 14 -12.340 6.053 -6.979 119 HG2 LYS 14 1HG LYS 14 -11.491 6.703 -4.167 120 HG3 LYS 14 2HG LYS 14 -10.555 6.915 -5.648 121 HD2 LYS 14 1HD LYS 14 -13.127 8.347 -4.979 122 HD3 LYS 14 2HD LYS 14 -11.507 9.034 -4.844 123 HE2 LYS 14 1HE LYS 14 -11.890 7.902 -7.456 124 HE3 LYS 14 2HE LYS 14 -13.194 9.029 -7.088 125 HZ1 LYS 14 3HZ LYS 14 -10.410 9.550 -7.606 126 HZ2 LYS 14 1HZ LYS 14 -11.009 10.366 -6.250 127 HZ3 LYS 14 2HZ LYS 14 -11.748 10.573 -7.757 128 H ILE 15 H ILE 15 -13.992 5.981 -8.027 129 HA ILE 15 HA ILE 15 -14.838 8.593 -8.516 130 HB ILE 15 HB ILE 15 -15.462 6.223 -10.274 131 HG12 ILE 15 1HG1 ILE 15 -13.116 7.574 -11.130 132 HG13 ILE 15 2HG1 ILE 15 -12.917 7.219 -9.417 133 HG21 ILE 15 1HG2 ILE 15 -15.500 7.773 -12.070 134 HG22 ILE 15 2HG2 ILE 15 -16.495 8.458 -10.787 135 HG23 ILE 15 3HG2 ILE 15 -14.862 9.066 -11.055 136 HD11 ILE 15 3HD1 ILE 15 -12.920 5.430 -11.723 137 HD12 ILE 15 1HD1 ILE 15 -12.173 5.244 -10.137 138 HD13 ILE 15 2HD1 ILE 15 -13.880 4.858 -10.359 139 H LEU 16 H LEU 16 -16.710 5.628 -8.066 140 HA LEU 16 HA LEU 16 -19.233 6.661 -8.724 141 HB2 LEU 16 1HB LEU 16 -18.544 4.239 -8.360 142 HB3 LEU 16 2HB LEU 16 -18.741 4.555 -6.637 143 HG LEU 16 HG LEU 16 -20.675 3.410 -7.730 144 HD11 LEU 16 1HD1 LEU 16 -22.040 4.313 -6.203 145 HD12 LEU 16 2HD1 LEU 16 -21.845 5.944 -6.845 146 HD13 LEU 16 3HD1 LEU 16 -20.634 5.277 -5.751 147 HD21 LEU 16 3HD2 LEU 16 -21.761 5.871 -8.838 148 HD22 LEU 16 1HD2 LEU 16 -21.727 4.242 -9.513 149 HD23 LEU 16 2HD2 LEU 16 -20.330 5.303 -9.700 150 H ASP 17 H ASP 17 -17.858 6.111 -5.476 151 HA ASP 17 HA ASP 17 -19.886 7.471 -4.086 152 HB2 ASP 17 1HB ASP 17 -18.095 5.865 -3.175 153 HB3 ASP 17 2HB ASP 17 -17.041 7.275 -3.116 154 H ASP 18 H ASP 18 -16.849 8.573 -5.483 155 HA ASP 18 HA ASP 18 -16.828 11.148 -4.331 156 HB2 ASP 18 1HB ASP 18 -14.844 10.150 -5.377 157 HB3 ASP 18 2HB ASP 18 -15.634 10.214 -6.950 158 H ALA 19 H ALA 19 -17.759 10.154 -7.630 159 HA ALA 19 HA ALA 19 -18.775 12.624 -8.443 160 HB1 ALA 19 1HB ALA 19 -19.498 9.840 -9.342 161 HB2 ALA 19 2HB ALA 19 -20.019 11.316 -10.158 162 HB3 ALA 19 3HB ALA 19 -18.303 10.921 -10.060 163 H LYS 20 H LYS 20 -20.310 9.959 -6.726 164 HA LYS 20 HA LYS 20 -22.967 10.870 -6.896 165 HB2 LYS 20 1HB LYS 20 -21.505 9.049 -5.010 166 HB3 LYS 20 2HB LYS 20 -23.177 9.494 -4.694 167 HG2 LYS 20 1HG LYS 20 -22.203 8.203 -7.234 168 HG3 LYS 20 2HG LYS 20 -22.932 7.340 -5.878 169 HD2 LYS 20 1HD LYS 20 -24.249 9.512 -7.509 170 HD3 LYS 20 2HD LYS 20 -24.573 7.781 -7.636 171 HE2 LYS 20 1HE LYS 20 -25.085 9.559 -5.256 172 HE3 LYS 20 2HE LYS 20 -26.292 8.811 -6.302 173 HZ1 LYS 20 3HZ LYS 20 -26.268 7.356 -4.564 174 HZ2 LYS 20 1HZ LYS 20 -24.630 7.595 -4.216 175 HZ3 LYS 20 2HZ LYS 20 -25.084 6.641 -5.537 176 H ALA 21 H ALA 21 -20.491 11.350 -4.390 177 HA ALA 21 HA ALA 21 -22.056 12.871 -2.632 178 HB1 ALA 21 1HB ALA 21 -19.415 11.966 -2.731 179 HB2 ALA 21 2HB ALA 21 -19.307 13.721 -2.593 180 HB3 ALA 21 3HB ALA 21 -20.213 12.797 -1.395 181 H GLU 22 H GLU 22 -20.060 13.821 -5.391 182 HA GLU 22 HA GLU 22 -20.244 16.608 -5.008 183 HB2 GLU 22 1HB GLU 22 -18.934 14.938 -6.772 184 HB3 GLU 22 2HB GLU 22 -20.098 15.759 -7.803 185 HG2 GLU 22 1HG GLU 22 -19.111 17.788 -7.547 186 HG3 GLU 22 2HG GLU 22 -18.516 17.421 -5.929 187 H ALA 23 H ALA 23 -22.290 14.297 -6.701 188 HA ALA 23 HA ALA 23 -24.013 16.341 -7.784 189 HB1 ALA 23 1HB ALA 23 -25.446 14.221 -8.289 190 HB2 ALA 23 2HB ALA 23 -23.952 14.512 -9.181 191 HB3 ALA 23 3HB ALA 23 -23.972 13.358 -7.848 192 H ASN 24 H ASN 24 -23.777 14.571 -4.860 193 HA ASN 24 HA ASN 24 -26.574 14.962 -4.157 194 HB2 ASN 24 1HB ASN 24 -24.304 13.401 -3.070 195 HB3 ASN 24 2HB ASN 24 -25.459 14.006 -1.887 196 HD21 ASN 24 2HD2 ASN 24 -25.456 12.450 -5.078 197 HD22 ASN 24 1HD2 ASN 24 -26.736 11.344 -4.726 198 H LYS 25 H LYS 25 -23.508 16.463 -3.690 199 HA LYS 25 HA LYS 25 -24.446 18.068 -1.445 200 HB2 LYS 25 1HB LYS 25 -22.247 17.613 -1.019 201 HB3 LYS 25 2HB LYS 25 -21.822 17.526 -2.724 202 HG2 LYS 25 1HG LYS 25 -22.560 20.175 -1.606 203 HG3 LYS 25 2HG LYS 25 -20.990 19.492 -1.176 204 HD2 LYS 25 1HD LYS 25 -21.334 19.120 -3.958 205 HD3 LYS 25 2HD LYS 25 -21.783 20.788 -3.594 206 HE2 LYS 25 1HE LYS 25 -19.451 20.767 -4.068 207 HE3 LYS 25 2HE LYS 25 -19.631 20.994 -2.329 208 HZ1 LYS 25 3HZ LYS 25 -18.406 18.834 -3.776 209 HZ2 LYS 25 1HZ LYS 25 -19.483 18.305 -2.584 210 HZ3 LYS 25 2HZ LYS 25 -18.193 19.316 -2.168 211 H ILE 26 H ILE 26 -23.643 18.387 -4.854 212 HA ILE 26 HA ILE 26 -23.829 21.217 -4.967 213 HB ILE 26 HB ILE 26 -22.787 19.580 -6.686 214 HG12 ILE 26 1HG1 ILE 26 -23.242 21.220 -8.533 215 HG13 ILE 26 2HG1 ILE 26 -24.441 21.980 -7.492 216 HG21 ILE 26 1HG2 ILE 26 -25.546 19.751 -7.872 217 HG22 ILE 26 2HG2 ILE 26 -24.163 18.831 -8.462 218 HG23 ILE 26 3HG2 ILE 26 -24.971 18.350 -6.970 219 HD11 ILE 26 3HD1 ILE 26 -22.031 21.770 -6.025 220 HD12 ILE 26 1HD1 ILE 26 -21.651 22.438 -7.612 221 HD13 ILE 26 2HD1 ILE 26 -22.856 23.222 -6.590 222 H ILE 27 H ILE 27 -26.171 18.720 -4.815 223 HA ILE 27 HA ILE 27 -28.295 20.361 -5.941 224 HB ILE 27 HB ILE 27 -29.756 18.428 -5.473 225 HG12 ILE 27 1HG1 ILE 27 -27.968 16.356 -4.965 226 HG13 ILE 27 2HG1 ILE 27 -27.462 17.636 -3.868 227 HG21 ILE 27 1HG2 ILE 27 -29.019 18.206 -7.605 228 HG22 ILE 27 2HG2 ILE 27 -27.319 18.263 -7.139 229 HG23 ILE 27 3HG2 ILE 27 -28.242 16.776 -6.925 230 HD11 ILE 27 3HD1 ILE 27 -29.885 17.779 -3.153 231 HD12 ILE 27 1HD1 ILE 27 -30.123 16.266 -4.026 232 HD13 ILE 27 2HD1 ILE 27 -28.997 16.335 -2.670 233 H SER 28 H SER 28 -27.129 19.244 -2.834 234 HA SER 28 HA SER 28 -29.436 20.258 -1.410 235 HB2 SER 28 1HB SER 28 -27.455 18.358 -0.858 236 HB3 SER 28 2HB SER 28 -27.144 19.678 0.269 237 HG SER 28 HG SER 28 -29.648 18.393 -0.113 238 H GLU 29 H GLU 29 -25.967 21.046 -1.585 239 HA GLU 29 HA GLU 29 -26.070 23.318 0.060 240 HB2 GLU 29 1HB GLU 29 -24.170 22.508 -2.137 241 HB3 GLU 29 2HB GLU 29 -23.939 23.961 -1.174 242 HG2 GLU 29 1HG GLU 29 -24.206 21.231 0.046 243 HG3 GLU 29 2HG GLU 29 -22.659 21.913 -0.451 244 H ALA 30 H ALA 30 -27.053 22.818 -3.199 245 HA ALA 30 HA ALA 30 -26.983 25.613 -3.932 246 HB1 ALA 30 1HB ALA 30 -28.129 23.198 -5.325 247 HB2 ALA 30 2HB ALA 30 -28.124 24.828 -5.998 248 HB3 ALA 30 3HB ALA 30 -26.599 24.005 -5.670 249 H GLU 31 H GLU 31 -29.674 23.268 -3.881 250 HA GLU 31 HA GLU 31 -31.744 25.091 -3.912 251 HB2 GLU 31 1HB GLU 31 -33.175 23.337 -3.224 252 HB3 GLU 31 2HB GLU 31 -31.881 22.567 -4.132 253 HG2 GLU 31 1HG GLU 31 -31.991 21.162 -2.354 254 HG3 GLU 31 2HG GLU 31 -30.808 22.317 -1.743 255 H ALA 32 H ALA 32 -29.716 24.119 -1.257 256 HA ALA 32 HA ALA 32 -31.335 25.028 0.870 257 HB1 ALA 32 1HB ALA 32 -29.599 23.591 1.479 258 HB2 ALA 32 2HB ALA 32 -28.391 24.523 0.594 259 HB3 ALA 32 3HB ALA 32 -29.082 25.165 2.084 260 H GLU 33 H GLU 33 -28.318 26.553 -0.269 261 HA GLU 33 HA GLU 33 -28.838 29.036 0.925 262 HB2 GLU 33 1HB GLU 33 -26.964 29.867 -0.300 263 HB3 GLU 33 2HB GLU 33 -26.603 28.204 0.141 264 HG2 GLU 33 1HG GLU 33 -27.324 27.514 -2.138 265 HG3 GLU 33 2HG GLU 33 -27.473 29.221 -2.551 266 H LYS 34 H LYS 34 -29.878 27.664 -2.080 267 HA LYS 34 HA LYS 34 -30.585 30.120 -3.356 268 HB2 LYS 34 1HB LYS 34 -30.142 27.993 -4.576 269 HB3 LYS 34 2HB LYS 34 -31.629 27.336 -3.906 270 HG2 LYS 34 1HG LYS 34 -32.860 28.313 -5.471 271 HG3 LYS 34 2HG LYS 34 -32.096 29.879 -5.189 272 HD2 LYS 34 1HD LYS 34 -31.507 29.454 -7.381 273 HD3 LYS 34 2HD LYS 34 -30.104 28.835 -6.507 274 HE2 LYS 34 1HE LYS 34 -30.955 26.577 -6.673 275 HE3 LYS 34 2HE LYS 34 -32.435 27.159 -7.432 276 HZ1 LYS 34 3HZ LYS 34 -29.893 26.609 -8.609 277 HZ2 LYS 34 1HZ LYS 34 -30.431 28.167 -8.988 278 HZ3 LYS 34 2HZ LYS 34 -31.396 26.827 -9.352 279 H ALA 35 H ALA 35 -32.582 27.526 -1.932 280 HA ALA 35 HA ALA 35 -35.016 28.901 -2.065 281 HB1 ALA 35 1HB ALA 35 -34.764 26.462 -1.677 282 HB2 ALA 35 2HB ALA 35 -34.248 26.817 -0.028 283 HB3 ALA 35 3HB ALA 35 -35.876 27.245 -0.553 284 H LYS 36 H LYS 36 -32.333 29.336 0.006 285 HA LYS 36 HA LYS 36 -33.823 30.554 2.162 286 HB2 LYS 36 1HB LYS 36 -31.107 29.654 1.712 287 HB3 LYS 36 2HB LYS 36 -31.128 31.262 2.423 288 HG2 LYS 36 1HG LYS 36 -33.007 29.827 3.882 289 HG3 LYS 36 2HG LYS 36 -31.670 28.702 3.635 290 HD2 LYS 36 1HD LYS 36 -31.239 29.889 5.658 291 HD3 LYS 36 2HD LYS 36 -30.125 30.509 4.437 292 HE2 LYS 36 1HE LYS 36 -31.973 32.291 4.038 293 HE3 LYS 36 2HE LYS 36 -32.544 31.804 5.633 294 HZ1 LYS 36 3HZ LYS 36 -30.893 33.732 5.470 295 HZ2 LYS 36 1HZ LYS 36 -29.721 32.543 5.199 296 HZ3 LYS 36 2HZ LYS 36 -30.608 32.544 6.639 297 H ILE 37 H ILE 37 -31.577 31.663 -0.362 298 HA ILE 37 HA ILE 37 -31.913 34.427 0.297 299 HB ILE 37 HB ILE 37 -30.606 34.905 -1.676 300 HG12 ILE 37 1HG1 ILE 37 -30.935 31.972 -2.344 301 HG13 ILE 37 2HG1 ILE 37 -31.666 33.317 -3.214 302 HG21 ILE 37 1HG2 ILE 37 -28.972 32.664 -1.043 303 HG22 ILE 37 2HG2 ILE 37 -28.808 34.336 -0.510 304 HG23 ILE 37 3HG2 ILE 37 -29.782 33.204 0.428 305 HD11 ILE 37 3HD1 ILE 37 -29.876 32.864 -4.549 306 HD12 ILE 37 1HD1 ILE 37 -29.173 34.078 -3.481 307 HD13 ILE 37 2HD1 ILE 37 -28.853 32.366 -3.202 308 H LEU 38 H LEU 38 -33.440 32.181 -1.896 309 HA LEU 38 HA LEU 38 -34.714 34.065 -3.573 310 HB2 LEU 38 1HB LEU 38 -34.996 31.181 -2.984 311 HB3 LEU 38 2HB LEU 38 -36.396 31.980 -3.695 312 HG LEU 38 HG LEU 38 -35.303 32.394 -5.699 313 HD11 LEU 38 1HD1 LEU 38 -32.709 31.950 -4.232 314 HD12 LEU 38 2HD1 LEU 38 -33.330 33.474 -4.864 315 HD13 LEU 38 3HD1 LEU 38 -32.846 32.191 -5.973 316 HD21 LEU 38 3HD2 LEU 38 -34.207 29.792 -4.639 317 HD22 LEU 38 1HD2 LEU 38 -34.200 30.268 -6.337 318 HD23 LEU 38 2HD2 LEU 38 -35.731 30.035 -5.493 319 H GLU 39 H GLU 39 -35.609 32.589 -0.507 320 HA GLU 39 HA GLU 39 -38.210 33.896 -0.531 321 HB2 GLU 39 1HB GLU 39 -36.934 31.733 1.000 322 HB3 GLU 39 2HB GLU 39 -37.965 32.786 1.958 323 HG2 GLU 39 1HG GLU 39 -39.869 32.239 0.740 324 HG3 GLU 39 2HG GLU 39 -38.935 31.609 -0.616 325 H LYS 40 H LYS 40 -35.060 34.231 0.927 326 HA LYS 40 HA LYS 40 -35.870 36.130 2.915 327 HB2 LYS 40 1HB LYS 40 -33.882 34.726 3.224 328 HB3 LYS 40 2HB LYS 40 -33.124 35.478 1.827 329 HG2 LYS 40 1HG LYS 40 -32.457 37.254 3.000 330 HG3 LYS 40 2HG LYS 40 -34.002 37.395 3.843 331 HD2 LYS 40 1HD LYS 40 -33.213 36.342 5.648 332 HD3 LYS 40 2HD LYS 40 -32.512 35.047 4.675 333 HE2 LYS 40 1HE LYS 40 -30.467 35.922 4.830 334 HE3 LYS 40 2HE LYS 40 -31.044 37.529 4.391 335 HZ1 LYS 40 3HZ LYS 40 -31.945 37.137 6.945 336 HZ2 LYS 40 1HZ LYS 40 -30.627 38.091 6.483 337 HZ3 LYS 40 2HZ LYS 40 -30.383 36.487 6.961 338 H ALA 41 H ALA 41 -34.196 36.346 -0.212 339 HA ALA 41 HA ALA 41 -33.949 39.173 -0.181 340 HB1 ALA 41 1HB ALA 41 -33.959 37.369 -2.595 341 HB2 ALA 41 2HB ALA 41 -33.255 38.981 -2.467 342 HB3 ALA 41 3HB ALA 41 -32.557 37.639 -1.559 343 H LYS 42 H LYS 42 -36.164 37.016 -1.960 344 HA LYS 42 HA LYS 42 -37.701 38.945 -3.214 345 HB2 LYS 42 1HB LYS 42 -37.910 36.579 -3.735 346 HB3 LYS 42 2HB LYS 42 -38.557 36.255 -2.132 347 HG2 LYS 42 1HG LYS 42 -40.141 38.271 -3.380 348 HG3 LYS 42 2HG LYS 42 -39.963 36.904 -4.483 349 HD2 LYS 42 1HD LYS 42 -40.734 36.561 -1.595 350 HD3 LYS 42 2HD LYS 42 -41.927 36.825 -2.870 351 HE2 LYS 42 1HE LYS 42 -40.192 34.798 -3.779 352 HE3 LYS 42 2HE LYS 42 -40.593 34.408 -2.108 353 HZ1 LYS 42 3HZ LYS 42 -42.633 35.078 -4.152 354 HZ2 LYS 42 1HZ LYS 42 -42.890 34.423 -2.613 355 HZ3 LYS 42 2HZ LYS 42 -42.146 33.494 -3.814 356 H GLU 43 H GLU 43 -37.778 37.849 0.102 357 HA GLU 43 HA GLU 43 -40.252 39.230 0.692 358 HB2 GLU 43 1HB GLU 43 -38.300 37.617 2.305 359 HB3 GLU 43 2HB GLU 43 -39.525 38.592 3.105 360 HG2 GLU 43 1HG GLU 43 -41.283 37.372 1.996 361 HG3 GLU 43 2HG GLU 43 -40.100 36.456 1.064 362 H GLU 44 H GLU 44 -36.961 39.466 2.057 363 HA GLU 44 HA GLU 44 -37.243 41.844 3.402 364 HB2 GLU 44 1HB GLU 44 -34.884 42.007 3.438 365 HB3 GLU 44 2HB GLU 44 -35.240 40.286 3.379 366 HG2 GLU 44 1HG GLU 44 -34.955 40.548 0.829 367 HG3 GLU 44 2HG GLU 44 -34.142 42.057 1.238 368 H ALA 45 H ALA 45 -36.688 41.330 -0.025 369 HA ALA 45 HA ALA 45 -36.216 44.103 -0.608 370 HB1 ALA 45 1HB ALA 45 -36.213 43.432 -2.925 371 HB2 ALA 45 2HB ALA 45 -35.279 42.273 -1.978 372 HB3 ALA 45 3HB ALA 45 -36.911 41.867 -2.508 373 H GLU 46 H GLU 46 -38.963 41.890 -0.816 374 HA GLU 46 HA GLU 46 -40.735 43.535 -2.210 375 HB2 GLU 46 1HB GLU 46 -40.939 41.160 -0.489 376 HB3 GLU 46 2HB GLU 46 -42.384 42.160 -0.517 377 HG2 GLU 46 1HG GLU 46 -42.609 41.921 -2.866 378 HG3 GLU 46 2HG GLU 46 -41.016 41.179 -3.005 379 H LYS 47 H LYS 47 -40.261 43.185 1.297 380 HA LYS 47 HA LYS 47 -42.079 45.368 1.850 381 HB2 LYS 47 1HB LYS 47 -40.552 43.389 3.465 382 HB3 LYS 47 2HB LYS 47 -40.987 44.905 4.242 383 HG2 LYS 47 1HG LYS 47 -42.977 44.048 4.680 384 HG3 LYS 47 2HG LYS 47 -43.306 44.017 2.946 385 HD2 LYS 47 1HD LYS 47 -41.656 41.801 3.976 386 HD3 LYS 47 2HD LYS 47 -43.333 41.827 4.527 387 HE2 LYS 47 1HE LYS 47 -42.569 42.085 1.629 388 HE3 LYS 47 2HE LYS 47 -42.848 40.525 2.402 389 HZ1 LYS 47 3HZ LYS 47 -44.845 42.718 2.390 390 HZ2 LYS 47 1HZ LYS 47 -45.085 41.109 2.854 391 HZ3 LYS 47 2HZ LYS 47 -44.808 41.487 1.229 392 H ARG 48 H ARG 48 -38.630 44.737 2.519 393 HA ARG 48 HA ARG 48 -36.838 46.127 2.695 394 HB2 ARG 48 1HB ARG 48 -38.360 47.126 0.559 395 HB3 ARG 48 2HB ARG 48 -37.933 48.531 1.527 396 HG2 ARG 48 1HG ARG 48 -35.882 46.514 0.683 397 HG3 ARG 48 2HG ARG 48 -36.352 47.863 -0.353 398 HD2 ARG 48 1HD ARG 48 -35.211 48.048 2.433 399 HD3 ARG 48 2HD ARG 48 -34.373 48.433 0.930 400 HE ARG 48 HE ARG 48 -36.163 50.118 2.368 401 HH11 ARG 48 1HH1 ARG 48 -35.055 49.303 -0.830 402 HH12 ARG 48 2HH1 ARG 48 -35.429 50.857 -1.497 403 HH21 ARG 48 1HH2 ARG 48 -36.659 52.169 1.501 404 HH22 ARG 48 2HH2 ARG 48 -36.341 52.487 -0.170 405 H LYS 49 H LYS 49 -36.563 46.605 4.790 406 HA LYS 49 HA LYS 49 -38.153 48.813 5.923 407 HB2 LYS 49 1HB LYS 49 -36.985 46.345 7.185 408 HB3 LYS 49 2HB LYS 49 -37.394 47.755 8.154 409 HG2 LYS 49 1HG LYS 49 -39.667 47.364 6.668 410 HG3 LYS 49 2HG LYS 49 -39.117 45.718 6.992 411 HD2 LYS 49 1HD LYS 49 -38.921 46.367 9.411 412 HD3 LYS 49 2HD LYS 49 -39.717 47.887 8.998 413 HE2 LYS 49 1HE LYS 49 -41.571 46.718 9.557 414 HE3 LYS 49 2HE LYS 49 -41.446 46.170 7.886 415 HZ1 LYS 49 3HZ LYS 49 -41.723 44.455 9.786 416 HZ2 LYS 49 1HZ LYS 49 -40.061 44.678 10.007 417 HZ3 LYS 49 2HZ LYS 49 -40.649 44.128 8.520 418 H ALA 50 H ALA 50 -35.343 48.402 4.504 419 HA ALA 50 HA ALA 50 -33.785 49.952 6.461 420 HB1 ALA 50 1HB ALA 50 -32.719 48.526 4.033 421 HB2 ALA 50 2HB ALA 50 -31.802 49.194 5.384 422 HB3 ALA 50 3HB ALA 50 -32.836 47.785 5.629 423 H GLU 51 H GLU 51 -32.162 51.479 5.337 424 HA GLU 51 HA GLU 51 -33.582 53.526 4.084 425 HB2 GLU 51 1HB GLU 51 -30.602 53.124 3.849 426 HB3 GLU 51 2HB GLU 51 -31.489 54.641 3.806 427 HG2 GLU 51 1HG GLU 51 -32.224 53.813 6.226 428 HG3 GLU 51 2HG GLU 51 -30.675 52.980 6.111 429 H ILE 52 H ILE 52 -31.352 51.138 2.685 430 HA ILE 52 HA ILE 52 -32.396 51.848 0.022 431 HB ILE 52 HB ILE 52 -29.769 50.483 0.604 432 HG12 ILE 52 1HG1 ILE 52 -29.721 52.744 1.522 433 HG13 ILE 52 2HG1 ILE 52 -28.721 52.658 0.075 434 HG21 ILE 52 1HG2 ILE 52 -29.283 51.191 -1.747 435 HG22 ILE 52 2HG2 ILE 52 -30.550 49.976 -1.589 436 HG23 ILE 52 3HG2 ILE 52 -30.977 51.660 -1.890 437 HD11 ILE 52 3HD1 ILE 52 -31.142 53.425 -0.932 438 HD12 ILE 52 1HD1 ILE 52 -31.093 54.252 0.624 439 HD13 ILE 52 2HD1 ILE 52 -29.799 54.501 -0.548
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