NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618821 | 5uoi | 30240 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ARG 1 HA ARG 1 2.918 -0.136 -1.738 2 HB2 ARG 1 2HB ARG 1 5.536 -1.679 -1.883 3 HB3 ARG 1 1HB ARG 1 5.073 -0.413 -3.017 4 HG2 ARG 1 2HG ARG 1 5.066 1.238 -1.196 5 HG3 ARG 1 1HG ARG 1 5.512 -0.015 -0.032 6 HD2 ARG 1 2HD ARG 1 7.449 1.391 -0.786 7 HD3 ARG 1 1HD ARG 1 7.661 -0.327 -1.119 8 HE ARG 1 HE ARG 1 7.529 0.078 -3.385 9 HH11 ARG 1 1HH1 ARG 1 6.832 3.092 -1.706 10 HH12 ARG 1 2HH1 ARG 1 6.929 4.039 -3.156 11 HH21 ARG 1 1HH2 ARG 1 7.652 1.340 -5.236 12 HH22 ARG 1 2HH2 ARG 1 7.402 3.054 -5.138 13 H LYS 2 H LYS 2 1.896 -0.523 -3.616 14 HA LYS 2 HA LYS 2 2.373 -2.824 -5.266 15 HB2 LYS 2 2HB LYS 2 0.008 -3.647 -5.282 16 HB3 LYS 2 1HB LYS 2 0.791 -3.870 -3.725 17 HG2 LYS 2 2HG LYS 2 -0.404 -1.639 -3.056 18 HG3 LYS 2 1HG LYS 2 -1.422 -1.949 -4.467 19 HD2 LYS 2 2HD LYS 2 -1.049 -3.806 -2.072 20 HD3 LYS 2 1HD LYS 2 -2.472 -2.817 -2.392 21 HE2 LYS 2 2HE LYS 2 -1.518 -5.043 -4.236 22 HE3 LYS 2 1HE LYS 2 -2.719 -5.267 -2.961 23 HZ1 LYS 2 1HZ LYS 2 -4.139 -3.692 -4.040 24 HZ2 LYS 2 2HZ LYS 2 -3.704 -4.893 -5.142 25 HZ3 LYS 2 3HZ LYS 2 -2.982 -3.369 -5.217 26 H TRP 3 H TRP 3 1.962 -2.306 -7.389 27 HA TRP 3 HA TRP 3 1.243 0.486 -7.979 28 HB2 TRP 3 2HB TRP 3 2.174 -1.644 -9.956 29 HB3 TRP 3 1HB TRP 3 2.248 0.097 -10.150 30 HD1 TRP 3 HD1 TRP 3 4.227 -2.843 -8.886 31 HE1 TRP 3 HE1 TRP 3 6.548 -2.069 -8.124 32 HE3 TRP 3 HE3 TRP 3 3.469 2.220 -8.929 33 HZ2 TRP 3 HZ2 TRP 3 7.892 0.337 -7.607 34 HZ3 TRP 3 HZ3 TRP 3 5.329 3.682 -8.287 35 HH2 TRP 3 HH2 TRP 3 7.502 2.767 -7.636 36 H GLU 4 H GLU 4 -0.915 -1.466 -7.225 37 HA GLU 4 HA GLU 4 -1.988 -2.518 -9.700 38 HB2 GLU 4 2HB GLU 4 -1.896 -3.938 -7.677 39 HB3 GLU 4 1HB GLU 4 -3.006 -2.847 -6.851 40 HG2 GLU 4 2HG GLU 4 -4.777 -3.382 -8.490 41 HG3 GLU 4 1HG GLU 4 -3.663 -4.438 -9.362 42 H GLU 5 H GLU 5 -3.173 -0.330 -7.106 43 HA GLU 5 HA GLU 5 -5.824 -0.069 -7.976 44 HB2 GLU 5 2HB GLU 5 -4.200 1.983 -6.403 45 HB3 GLU 5 1HB GLU 5 -5.947 2.020 -6.590 46 HG2 GLU 5 2HG GLU 5 -5.519 1.156 -4.432 47 HG3 GLU 5 1HG GLU 5 -6.057 -0.194 -5.422 48 H ILE 6 H ILE 6 -2.990 1.866 -8.715 49 HA ILE 6 HA ILE 6 -4.291 3.929 -10.186 50 HB ILE 6 HB ILE 6 -1.369 3.076 -10.244 51 HG12 ILE 6 2HG1 ILE 6 -2.765 5.195 -8.533 52 HG13 ILE 6 1HG1 ILE 6 -2.207 3.631 -7.955 53 HG21 ILE 6 1HG2 ILE 6 -0.881 5.378 -11.056 54 HG22 ILE 6 2HG2 ILE 6 -2.610 5.715 -11.142 55 HG23 ILE 6 3HG2 ILE 6 -1.894 4.494 -12.197 56 HD11 ILE 6 1HD1 ILE 6 -0.461 5.862 -8.983 57 HD12 ILE 6 2HD1 ILE 6 0.100 4.298 -8.385 58 HD13 ILE 6 3HD1 ILE 6 -0.719 5.418 -7.297 59 H ALA 7 H ALA 7 -2.437 1.019 -11.186 60 HA ALA 7 HA ALA 7 -2.749 1.301 -14.005 61 HB1 ALA 7 1HB ALA 7 -0.997 -0.110 -12.982 62 HB2 ALA 7 2HB ALA 7 -1.980 -1.046 -14.107 63 HB3 ALA 7 3HB ALA 7 -2.233 -1.210 -12.366 64 H GLU 8 H GLU 8 -4.771 -0.005 -11.521 65 HA GLU 8 HA GLU 8 -6.603 -1.494 -13.175 66 HB2 GLU 8 2HB GLU 8 -5.985 -2.087 -10.812 67 HB3 GLU 8 1HB GLU 8 -6.813 -0.639 -10.263 68 HG2 GLU 8 2HG GLU 8 -8.956 -1.553 -11.038 69 HG3 GLU 8 1HG GLU 8 -8.133 -2.979 -11.672 70 H ARG 9 H ARG 9 -6.258 1.733 -12.040 71 HA ARG 9 HA ARG 9 -8.944 2.630 -12.723 72 HB2 ARG 9 2HB ARG 9 -7.671 3.589 -10.800 73 HB3 ARG 9 1HB ARG 9 -6.438 4.168 -11.915 74 HG2 ARG 9 2HG ARG 9 -8.063 5.699 -12.947 75 HG3 ARG 9 1HG ARG 9 -9.337 5.081 -11.889 76 HD2 ARG 9 2HD ARG 9 -8.081 5.895 -9.916 77 HD3 ARG 9 1HD ARG 9 -6.816 6.512 -10.988 78 HE ARG 9 HE ARG 9 -9.511 7.517 -11.462 79 HH11 ARG 9 1HH1 ARG 9 -6.414 8.107 -9.920 80 HH12 ARG 9 2HH1 ARG 9 -6.711 9.802 -9.701 81 HH21 ARG 9 1HH2 ARG 9 -9.897 9.737 -11.141 82 HH22 ARG 9 2HH2 ARG 9 -8.674 10.724 -10.406 83 H LEU 10 H LEU 10 -5.704 2.517 -14.104 84 HA LEU 10 HA LEU 10 -6.128 4.332 -16.275 85 HB2 LEU 10 2HB LEU 10 -4.034 2.180 -15.823 86 HB3 LEU 10 1HB LEU 10 -4.017 3.262 -17.207 87 HG LEU 10 HG LEU 10 -3.796 4.152 -14.298 88 HD11 LEU 10 1HD1 LEU 10 -1.617 3.984 -16.396 89 HD12 LEU 10 2HD1 LEU 10 -1.796 2.933 -14.991 90 HD13 LEU 10 3HD1 LEU 10 -1.443 4.644 -14.765 91 HD21 LEU 10 1HD2 LEU 10 -4.864 5.881 -15.663 92 HD22 LEU 10 2HD2 LEU 10 -3.549 5.804 -16.839 93 HD23 LEU 10 3HD2 LEU 10 -3.240 6.377 -15.198 94 H ARG 11 H ARG 11 -6.586 0.842 -15.863 95 HA ARG 11 HA ARG 11 -7.193 0.292 -18.624 96 HB2 ARG 11 2HB ARG 11 -7.899 -1.910 -17.890 97 HB3 ARG 11 1HB ARG 11 -6.443 -1.474 -16.995 98 HG2 ARG 11 2HG ARG 11 -7.778 -0.911 -15.030 99 HG3 ARG 11 1HG ARG 11 -9.269 -1.228 -15.913 100 HD2 ARG 11 2HD ARG 11 -8.555 -3.614 -16.151 101 HD3 ARG 11 1HD ARG 11 -7.154 -3.252 -15.131 102 HE ARG 11 HE ARG 11 -9.277 -2.378 -13.663 103 HH11 ARG 11 1HH1 ARG 11 -8.546 -5.498 -15.117 104 HH12 ARG 11 2HH1 ARG 11 -9.385 -6.384 -13.884 105 HH21 ARG 11 1HH2 ARG 11 -10.365 -3.552 -12.084 106 HH22 ARG 11 2HH2 ARG 11 -10.432 -5.280 -12.182 107 H GLU 12 H GLU 12 -8.988 1.424 -15.866 108 HA GLU 12 HA GLU 12 -11.660 0.930 -16.734 109 HB2 GLU 12 2HB GLU 12 -10.915 1.350 -14.339 110 HB3 GLU 12 1HB GLU 12 -10.651 3.032 -14.762 111 HG2 GLU 12 2HG GLU 12 -12.737 2.994 -13.670 112 HG3 GLU 12 1HG GLU 12 -13.132 3.140 -15.382 113 H GLU 13 H GLU 13 -9.408 3.636 -17.029 114 HA GLU 13 HA GLU 13 -11.303 5.368 -18.390 115 HB2 GLU 13 2HB GLU 13 -8.402 5.705 -17.550 116 HB3 GLU 13 1HB GLU 13 -9.290 6.935 -18.439 117 HG2 GLU 13 2HG GLU 13 -10.137 5.858 -15.728 118 HG3 GLU 13 1HG GLU 13 -9.153 7.308 -15.956 119 H PHE 14 H PHE 14 -8.547 3.317 -19.181 120 HA PHE 14 HA PHE 14 -8.776 3.995 -22.066 121 HB2 PHE 14 2HB PHE 14 -6.106 3.427 -20.687 122 HB3 PHE 14 1HB PHE 14 -6.373 4.057 -22.307 123 HD1 PHE 14 HD1 PHE 14 -5.734 4.912 -18.891 124 HD2 PHE 14 HD2 PHE 14 -7.438 6.429 -22.511 125 HE1 PHE 14 HE1 PHE 14 -5.548 7.205 -18.019 126 HE2 PHE 14 HE2 PHE 14 -7.234 8.718 -21.632 127 HZ PHE 14 HZ PHE 14 -6.291 9.107 -19.392 128 H ASN 15 H ASN 15 -9.260 2.157 -23.182 129 HA ASN 15 HA ASN 15 -8.721 -0.499 -22.090 130 HB2 ASN 15 2HB ASN 15 -9.914 0.263 -24.801 131 HB3 ASN 15 1HB ASN 15 -9.851 -1.358 -24.112 132 HD21 ASN 15 1HD2 ASN 15 -10.534 -0.432 -21.357 133 HD22 ASN 15 2HD2 ASN 15 -12.212 -0.023 -21.416 134 H ILE 16 H ILE 16 -6.546 -0.529 -21.968 135 HA ILE 16 HA ILE 16 -4.878 -0.360 -24.436 136 HB ILE 16 HB ILE 16 -2.999 0.273 -22.820 137 HG12 ILE 16 2HG1 ILE 16 -5.325 0.549 -20.843 138 HG13 ILE 16 1HG1 ILE 16 -3.991 -0.590 -20.724 139 HG21 ILE 16 1HG2 ILE 16 -5.322 2.230 -22.980 140 HG22 ILE 16 2HG2 ILE 16 -4.076 1.986 -24.206 141 HG23 ILE 16 3HG2 ILE 16 -3.642 2.653 -22.632 142 HD11 ILE 16 1HD1 ILE 16 -3.792 2.402 -20.489 143 HD12 ILE 16 2HD1 ILE 16 -2.454 1.258 -20.345 144 HD13 ILE 16 3HD1 ILE 16 -3.767 1.236 -19.169 145 H ASN 17 H ASN 17 -2.687 -1.558 -24.009 146 HA ASN 17 HA ASN 17 -3.019 -4.264 -23.155 147 HB2 ASN 17 2HB ASN 17 -0.478 -2.642 -23.655 148 HB3 ASN 17 1HB ASN 17 -0.484 -4.363 -23.280 149 HD21 ASN 17 1HD2 ASN 17 -1.118 -1.953 -25.716 150 HD22 ASN 17 2HD2 ASN 17 -1.352 -3.053 -27.027 151 HA PRO 18 HA PRO 18 -2.595 -3.919 -18.694 152 HB2 PRO 18 2HB PRO 18 -0.788 -6.333 -18.962 153 HB3 PRO 18 1HB PRO 18 -2.165 -6.077 -17.873 154 HG2 PRO 18 2HG PRO 18 -2.443 -7.611 -20.028 155 HG3 PRO 18 1HG PRO 18 -3.742 -6.482 -19.579 156 HD2 PRO 18 2HD PRO 18 -1.661 -6.227 -21.746 157 HD3 PRO 18 1HD PRO 18 -3.380 -5.775 -21.776 158 H GLU 19 H GLU 19 0.263 -4.564 -20.617 159 HA GLU 19 HA GLU 19 2.296 -3.859 -18.805 160 HB2 GLU 19 2HB GLU 19 2.246 -3.941 -21.854 161 HB3 GLU 19 1HB GLU 19 3.708 -3.586 -20.944 162 HG2 GLU 19 2HG GLU 19 3.612 -5.930 -21.695 163 HG3 GLU 19 1HG GLU 19 3.706 -5.787 -19.942 164 H GLU 20 H GLU 20 0.373 -1.915 -21.031 165 HA GLU 20 HA GLU 20 1.851 0.502 -20.982 166 HB2 GLU 20 2HB GLU 20 -1.121 -0.017 -21.429 167 HB3 GLU 20 1HB GLU 20 -0.343 1.540 -21.715 168 HG2 GLU 20 2HG GLU 20 0.392 -1.045 -23.128 169 HG3 GLU 20 1HG GLU 20 -0.698 0.187 -23.775 170 H ALA 21 H ALA 21 -0.930 -0.609 -19.087 171 HA ALA 21 HA ALA 21 -1.233 1.654 -17.412 172 HB1 ALA 21 1HB ALA 21 -2.079 -1.222 -16.932 173 HB2 ALA 21 2HB ALA 21 -3.025 0.001 -17.786 174 HB3 ALA 21 3HB ALA 21 -2.684 0.187 -16.063 175 H ARG 22 H ARG 22 0.541 -1.376 -17.078 176 HA ARG 22 HA ARG 22 1.362 -1.098 -14.365 177 HB2 ARG 22 2HB ARG 22 2.331 -2.875 -16.634 178 HB3 ARG 22 1HB ARG 22 2.988 -2.983 -15.002 179 HG2 ARG 22 2HG ARG 22 0.876 -3.707 -14.104 180 HG3 ARG 22 1HG ARG 22 0.032 -3.327 -15.607 181 HD2 ARG 22 2HD ARG 22 0.365 -5.750 -15.375 182 HD3 ARG 22 1HD ARG 22 1.252 -5.121 -16.768 183 HE ARG 22 HE ARG 22 2.821 -5.293 -14.349 184 HH11 ARG 22 1HH1 ARG 22 1.794 -7.063 -17.224 185 HH12 ARG 22 2HH1 ARG 22 3.088 -8.213 -17.103 186 HH21 ARG 22 1HH2 ARG 22 4.499 -6.779 -14.238 187 HH22 ARG 22 2HH2 ARG 22 4.609 -8.062 -15.404 188 H GLU 23 H GLU 23 2.832 -0.225 -17.458 189 HA GLU 23 HA GLU 23 5.390 0.480 -16.384 190 HB2 GLU 23 2HB GLU 23 5.314 -0.152 -18.712 191 HB3 GLU 23 1HB GLU 23 4.100 1.071 -19.069 192 HG2 GLU 23 2HG GLU 23 5.680 2.856 -18.839 193 HG3 GLU 23 1HG GLU 23 6.876 1.787 -18.095 194 H ALA 24 H ALA 24 2.472 2.265 -17.301 195 HA ALA 24 HA ALA 24 3.351 4.889 -17.125 196 HB1 ALA 24 1HB ALA 24 0.599 3.819 -16.422 197 HB2 ALA 24 2HB ALA 24 1.168 4.241 -18.038 198 HB3 ALA 24 3HB ALA 24 0.987 5.497 -16.813 199 H VAL 25 H VAL 25 1.943 2.857 -14.575 200 HA VAL 25 HA VAL 25 2.061 4.826 -12.532 201 HB VAL 25 HB VAL 25 0.407 3.079 -12.351 202 HG11 VAL 25 1HG1 VAL 25 1.573 1.247 -13.506 203 HG12 VAL 25 2HG1 VAL 25 0.952 0.704 -11.947 204 HG13 VAL 25 3HG1 VAL 25 2.671 1.060 -12.133 205 HG21 VAL 25 1HG2 VAL 25 1.229 4.008 -10.213 206 HG22 VAL 25 2HG2 VAL 25 2.444 2.735 -10.116 207 HG23 VAL 25 3HG2 VAL 25 0.731 2.325 -10.020 208 H GLU 26 H GLU 26 4.295 2.134 -13.414 209 HA GLU 26 HA GLU 26 5.890 2.402 -11.023 210 HB2 GLU 26 2HB GLU 26 7.322 0.694 -11.890 211 HB3 GLU 26 1HB GLU 26 5.673 0.248 -12.309 212 HG2 GLU 26 2HG GLU 26 6.029 0.988 -14.617 213 HG3 GLU 26 1HG GLU 26 7.659 1.531 -14.217 214 H LYS 27 H LYS 27 6.086 3.751 -14.262 215 HA LYS 27 HA LYS 27 8.742 4.833 -13.969 216 HB2 LYS 27 2HB LYS 27 6.628 5.359 -16.093 217 HB3 LYS 27 1HB LYS 27 8.287 5.953 -16.164 218 HG2 LYS 27 2HG LYS 27 7.413 3.041 -16.200 219 HG3 LYS 27 1HG LYS 27 7.996 3.968 -17.587 220 HD2 LYS 27 2HD LYS 27 10.222 4.088 -16.683 221 HD3 LYS 27 1HD LYS 27 9.697 3.500 -15.105 222 HE2 LYS 27 2HE LYS 27 10.877 1.740 -16.316 223 HE3 LYS 27 1HE LYS 27 9.186 1.294 -16.102 224 HZ1 LYS 27 1HZ LYS 27 10.307 2.469 -18.583 225 HZ2 LYS 27 2HZ LYS 27 8.746 1.855 -18.367 226 HZ3 LYS 27 3HZ LYS 27 10.075 0.815 -18.322 227 H ALA 28 H ALA 28 5.452 5.902 -13.439 228 HA ALA 28 HA ALA 28 6.156 8.657 -12.837 229 HB1 ALA 28 1HB ALA 28 3.937 8.109 -13.746 230 HB2 ALA 28 2HB ALA 28 3.807 8.887 -12.168 231 HB3 ALA 28 3HB ALA 28 3.579 7.141 -12.313 232 H GLY 29 H GLY 29 6.305 5.680 -11.164 233 HA2 GLY 29 2HA GLY 29 7.092 5.158 -9.065 234 HA3 GLY 29 1HA GLY 29 7.388 6.867 -8.788 235 H GLY 30 H GLY 30 4.268 5.524 -9.629 236 HA2 GLY 30 2HA GLY 30 2.359 5.086 -8.407 237 HA3 GLY 30 1HA GLY 30 3.197 5.512 -6.922 238 H ASN 31 H ASN 31 3.442 7.806 -9.498 239 HA ASN 31 HA ASN 31 1.547 9.635 -8.176 240 HB2 ASN 31 2HB ASN 31 3.914 10.401 -8.685 241 HB3 ASN 31 1HB ASN 31 3.547 10.251 -10.403 242 HD21 ASN 31 1HD2 ASN 31 3.033 12.113 -7.512 243 HD22 ASN 31 2HD2 ASN 31 2.243 13.452 -8.267 244 H GLU 32 H GLU 32 -0.496 9.535 -8.951 245 HA GLU 32 HA GLU 32 -1.223 8.180 -11.331 246 HB2 GLU 32 2HB GLU 32 -2.929 10.036 -9.620 247 HB3 GLU 32 1HB GLU 32 -3.540 8.973 -10.886 248 HG2 GLU 32 2HG GLU 32 -2.589 7.022 -9.590 249 HG3 GLU 32 1HG GLU 32 -2.239 8.146 -8.280 250 H GLU 33 H GLU 33 -0.839 11.618 -10.615 251 HA GLU 33 HA GLU 33 -2.151 12.661 -12.907 252 HB2 GLU 33 2HB GLU 33 -1.746 13.974 -10.839 253 HB3 GLU 33 1HB GLU 33 -0.017 13.934 -11.143 254 HG2 GLU 33 2HG GLU 33 -0.973 16.102 -11.754 255 HG3 GLU 33 1HG GLU 33 -0.296 15.277 -13.159 256 H GLU 34 H GLU 34 1.222 11.793 -12.263 257 HA GLU 34 HA GLU 34 2.212 12.708 -14.825 258 HB2 GLU 34 2HB GLU 34 3.625 12.694 -12.759 259 HB3 GLU 34 1HB GLU 34 3.571 10.936 -12.755 260 HG2 GLU 34 2HG GLU 34 4.826 10.833 -14.839 261 HG3 GLU 34 1HG GLU 34 4.748 12.585 -15.022 262 H ALA 35 H ALA 35 1.267 9.632 -13.348 263 HA ALA 35 HA ALA 35 1.950 7.839 -15.437 264 HB1 ALA 35 1HB ALA 35 1.389 7.067 -13.161 265 HB2 ALA 35 2HB ALA 35 0.375 6.272 -14.364 266 HB3 ALA 35 3HB ALA 35 -0.283 7.589 -13.386 267 H ARG 36 H ARG 36 -0.669 10.051 -14.983 268 HA ARG 36 HA ARG 36 -2.617 9.058 -16.792 269 HB2 ARG 36 2HB ARG 36 -2.882 10.746 -14.887 270 HB3 ARG 36 1HB ARG 36 -2.152 11.945 -15.943 271 HG2 ARG 36 2HG ARG 36 -4.048 11.779 -17.489 272 HG3 ARG 36 1HG ARG 36 -4.745 10.476 -16.516 273 HD2 ARG 36 2HD ARG 36 -4.846 12.079 -14.570 274 HD3 ARG 36 1HD ARG 36 -4.328 13.361 -15.672 275 HE ARG 36 HE ARG 36 -6.526 12.244 -16.869 276 HH11 ARG 36 1HH1 ARG 36 -5.915 13.815 -13.787 277 HH12 ARG 36 2HH1 ARG 36 -7.547 14.371 -13.614 278 HH21 ARG 36 1HH2 ARG 36 -8.663 12.957 -16.612 279 HH22 ARG 36 2HH2 ARG 36 -9.100 13.880 -15.210 280 H ARG 37 H ARG 37 0.307 10.877 -17.219 281 HA ARG 37 HA ARG 37 -0.228 11.611 -20.000 282 HB2 ARG 37 2HB ARG 37 2.228 11.997 -18.238 283 HB3 ARG 37 1HB ARG 37 2.061 12.629 -19.876 284 HG2 ARG 37 2HG ARG 37 0.246 14.101 -19.164 285 HG3 ARG 37 1HG ARG 37 0.268 13.397 -17.544 286 HD2 ARG 37 2HD ARG 37 1.418 15.574 -17.581 287 HD3 ARG 37 1HD ARG 37 2.532 14.268 -17.171 288 HE ARG 37 HE ARG 37 2.684 14.706 -19.941 289 HH11 ARG 37 1HH1 ARG 37 3.522 16.393 -16.974 290 HH12 ARG 37 2HH1 ARG 37 4.798 17.299 -17.720 291 HH21 ARG 37 1HH2 ARG 37 4.358 15.920 -20.882 292 HH22 ARG 37 2HH2 ARG 37 5.258 17.047 -19.915 293 H ILE 38 H ILE 38 1.936 9.476 -18.129 294 HA ILE 38 HA ILE 38 3.470 8.498 -20.324 295 HB ILE 38 HB ILE 38 3.090 7.233 -17.570 296 HG12 ILE 38 2HG1 ILE 38 5.231 9.219 -18.483 297 HG13 ILE 38 1HG1 ILE 38 3.876 9.607 -17.431 298 HG21 ILE 38 1HG2 ILE 38 5.360 6.831 -19.569 299 HG22 ILE 38 2HG2 ILE 38 4.135 5.637 -19.142 300 HG23 ILE 38 3HG2 ILE 38 5.308 6.161 -17.935 301 HD11 ILE 38 1HD1 ILE 38 5.927 9.354 -16.173 302 HD12 ILE 38 2HD1 ILE 38 6.140 7.716 -16.787 303 HD13 ILE 38 3HD1 ILE 38 4.781 8.091 -15.723 304 H VAL 39 H VAL 39 0.423 7.502 -18.930 305 HA VAL 39 HA VAL 39 0.261 4.848 -19.914 306 HB VAL 39 HB VAL 39 -1.178 5.765 -18.078 307 HG11 VAL 39 1HG1 VAL 39 -1.748 7.953 -19.049 308 HG12 VAL 39 2HG1 VAL 39 -3.200 7.076 -18.571 309 HG13 VAL 39 3HG1 VAL 39 -2.746 7.167 -20.275 310 HG21 VAL 39 1HG2 VAL 39 -3.250 4.551 -18.679 311 HG22 VAL 39 2HG2 VAL 39 -1.802 3.648 -19.128 312 HG23 VAL 39 3HG2 VAL 39 -2.726 4.501 -20.364 313 H LYS 40 H LYS 40 -0.479 7.983 -21.313 314 HA LYS 40 HA LYS 40 -1.732 6.900 -23.707 315 HB2 LYS 40 2HB LYS 40 -1.002 9.776 -22.994 316 HB3 LYS 40 1HB LYS 40 -1.888 9.282 -24.436 317 HG2 LYS 40 2HG LYS 40 -3.682 8.357 -22.889 318 HG3 LYS 40 1HG LYS 40 -2.819 9.132 -21.550 319 HD2 LYS 40 2HD LYS 40 -3.079 11.333 -22.675 320 HD3 LYS 40 1HD LYS 40 -3.949 10.550 -23.998 321 HE2 LYS 40 2HE LYS 40 -5.676 9.818 -22.329 322 HE3 LYS 40 1HE LYS 40 -4.847 10.789 -21.109 323 HZ1 LYS 40 1HZ LYS 40 -6.677 11.992 -22.066 324 HZ2 LYS 40 2HZ LYS 40 -6.054 11.781 -23.625 325 HZ3 LYS 40 3HZ LYS 40 -5.219 12.728 -22.505 326 H LYS 41 H LYS 41 0.008 5.669 -24.583 327 HA LYS 41 HA LYS 41 2.190 7.189 -25.801 328 HB2 LYS 41 2HB LYS 41 1.324 4.280 -26.117 329 HB3 LYS 41 1HB LYS 41 2.644 5.008 -27.033 330 HG2 LYS 41 2HG LYS 41 3.759 5.557 -24.833 331 HG3 LYS 41 1HG LYS 41 2.507 4.604 -24.027 332 HD2 LYS 41 2HD LYS 41 3.213 2.627 -25.438 333 HD3 LYS 41 1HD LYS 41 4.552 3.604 -26.056 334 HE2 LYS 41 2HE LYS 41 5.299 2.140 -24.225 335 HE3 LYS 41 1HE LYS 41 5.430 3.836 -23.760 336 HZ1 LYS 41 1HZ LYS 41 4.485 2.492 -21.992 337 HZ2 LYS 41 2HZ LYS 41 3.227 2.004 -22.994 338 HZ3 LYS 41 3HZ LYS 41 3.352 3.626 -22.535 339 H ARG 42 H ARG 42 1.672 8.513 -27.391 340 HA ARG 42 HA ARG 42 -0.708 8.690 -28.803 341 HB2 ARG 42 2HB ARG 42 0.889 10.548 -28.600 342 HB3 ARG 42 1HB ARG 42 2.078 9.677 -29.559 343 HG2 ARG 42 2HG ARG 42 1.074 11.390 -30.930 344 HG3 ARG 42 1HG ARG 42 0.560 9.817 -31.533 345 HD2 ARG 42 2HD ARG 42 -1.306 11.408 -31.549 346 HD3 ARG 42 1HD ARG 42 -1.628 10.108 -30.399 347 HE ARG 42 HE ARG 42 -1.394 11.600 -28.630 348 HH11 ARG 42 1HH1 ARG 42 -0.648 13.280 -31.642 349 HH12 ARG 42 2HH1 ARG 42 -0.795 14.855 -30.929 350 HH21 ARG 42 1HH2 ARG 42 -1.568 13.664 -27.723 351 HH22 ARG 42 2HH2 ARG 42 -1.326 15.073 -28.708 352 H LEU 43 H LEU 43 2.412 7.480 -29.994 353 HA LEU 43 HA LEU 43 3.096 6.140 -31.647 354 HB2 LEU 43 2HB LEU 43 0.466 4.689 -31.161 355 HB3 LEU 43 1HB LEU 43 1.876 4.014 -31.960 356 HG LEU 43 HG LEU 43 1.671 4.777 -29.015 357 HD11 LEU 43 1HD1 LEU 43 1.879 2.382 -28.561 358 HD12 LEU 43 2HD1 LEU 43 1.909 2.034 -30.292 359 HD13 LEU 43 3HD1 LEU 43 0.460 2.716 -29.549 360 HD21 LEU 43 1HD2 LEU 43 3.924 3.818 -28.746 361 HD22 LEU 43 2HD2 LEU 43 3.941 5.221 -29.809 362 HD23 LEU 43 3HD2 LEU 43 4.047 3.597 -30.494 Start of MODEL 2 1 HA ARG 1 HA ARG 1 5.372 1.620 -3.813 2 HB2 ARG 1 2HB ARG 1 5.698 -0.630 -2.618 3 HB3 ARG 1 1HB ARG 1 6.277 0.802 -1.793 4 HG2 ARG 1 2HG ARG 1 5.289 -0.332 -0.038 5 HG3 ARG 1 1HG ARG 1 3.963 0.717 -0.534 6 HD2 ARG 1 2HD ARG 1 3.188 -1.571 -0.079 7 HD3 ARG 1 1HD ARG 1 2.942 -1.151 -1.779 8 HE ARG 1 HE ARG 1 5.382 -2.609 -1.030 9 HH11 ARG 1 1HH1 ARG 1 2.216 -2.746 -2.539 10 HH12 ARG 1 2HH1 ARG 1 2.545 -4.221 -3.384 11 HH21 ARG 1 1HH2 ARG 1 5.792 -4.556 -2.103 12 HH22 ARG 1 2HH2 ARG 1 4.574 -5.252 -3.126 13 H LYS 2 H LYS 2 2.135 0.713 -2.672 14 HA LYS 2 HA LYS 2 1.753 -1.215 -4.849 15 HB2 LYS 2 2HB LYS 2 -0.446 -1.643 -3.837 16 HB3 LYS 2 1HB LYS 2 0.821 -1.748 -2.617 17 HG2 LYS 2 2HG LYS 2 0.226 0.538 -1.839 18 HG3 LYS 2 1HG LYS 2 -1.072 0.592 -3.033 19 HD2 LYS 2 2HD LYS 2 -2.147 -1.356 -1.924 20 HD3 LYS 2 1HD LYS 2 -0.859 -1.371 -0.713 21 HE2 LYS 2 2HE LYS 2 -1.544 0.819 0.106 22 HE3 LYS 2 1HE LYS 2 -2.714 0.983 -1.206 23 HZ1 LYS 2 1HZ LYS 2 -3.813 0.346 0.810 24 HZ2 LYS 2 2HZ LYS 2 -2.818 -1.012 0.980 25 HZ3 LYS 2 3HZ LYS 2 -3.907 -0.917 -0.311 26 H TRP 3 H TRP 3 0.211 -0.924 -6.520 27 HA TRP 3 HA TRP 3 -0.537 1.881 -7.115 28 HB2 TRP 3 2HB TRP 3 0.449 -0.197 -9.117 29 HB3 TRP 3 1HB TRP 3 0.066 1.487 -9.472 30 HD1 TRP 3 HD1 TRP 3 1.759 2.729 -6.934 31 HE1 TRP 3 HE1 TRP 3 4.323 2.754 -7.085 32 HE3 TRP 3 HE3 TRP 3 2.404 -0.833 -10.547 33 HZ2 TRP 3 HZ2 TRP 3 6.346 1.490 -8.551 34 HZ3 TRP 3 HZ3 TRP 3 4.691 -1.354 -11.281 35 HH2 TRP 3 HH2 TRP 3 6.623 -0.216 -10.304 36 H GLU 4 H GLU 4 -2.275 0.116 -5.819 37 HA GLU 4 HA GLU 4 -3.874 -1.565 -7.386 38 HB2 GLU 4 2HB GLU 4 -4.768 0.012 -4.934 39 HB3 GLU 4 1HB GLU 4 -5.554 -1.419 -5.592 40 HG2 GLU 4 2HG GLU 4 -3.532 -2.752 -5.039 41 HG3 GLU 4 1HG GLU 4 -2.801 -1.314 -4.319 42 H GLU 5 H GLU 5 -4.831 1.663 -6.165 43 HA GLU 5 HA GLU 5 -7.143 1.930 -7.774 44 HB2 GLU 5 2HB GLU 5 -6.678 3.139 -5.587 45 HB3 GLU 5 1HB GLU 5 -5.536 4.157 -6.446 46 HG2 GLU 5 2HG GLU 5 -7.528 5.426 -6.256 47 HG3 GLU 5 1HG GLU 5 -7.447 4.902 -7.936 48 H ILE 6 H ILE 6 -3.797 2.783 -8.263 49 HA ILE 6 HA ILE 6 -4.128 4.834 -10.209 50 HB ILE 6 HB ILE 6 -1.610 3.141 -9.840 51 HG12 ILE 6 2HG1 ILE 6 -2.402 5.627 -8.235 52 HG13 ILE 6 1HG1 ILE 6 -2.374 3.982 -7.614 53 HG21 ILE 6 1HG2 ILE 6 -1.959 6.022 -10.788 54 HG22 ILE 6 2HG2 ILE 6 -1.571 4.635 -11.806 55 HG23 ILE 6 3HG2 ILE 6 -0.416 5.180 -10.593 56 HD11 ILE 6 1HD1 ILE 6 0.022 5.556 -8.562 57 HD12 ILE 6 2HD1 ILE 6 0.055 3.901 -7.945 58 HD13 ILE 6 3HD1 ILE 6 -0.430 5.229 -6.891 59 H ALA 7 H ALA 7 -3.309 1.359 -10.451 60 HA ALA 7 HA ALA 7 -3.004 1.522 -13.366 61 HB1 ALA 7 1HB ALA 7 -2.340 -0.752 -11.470 62 HB2 ALA 7 2HB ALA 7 -1.209 0.464 -12.070 63 HB3 ALA 7 3HB ALA 7 -1.947 -0.681 -13.190 64 H GLU 8 H GLU 8 -5.156 0.045 -10.964 65 HA GLU 8 HA GLU 8 -6.241 -2.042 -12.517 66 HB2 GLU 8 2HB GLU 8 -6.495 -1.953 -10.078 67 HB3 GLU 8 1HB GLU 8 -7.509 -0.521 -10.208 68 HG2 GLU 8 2HG GLU 8 -9.262 -1.824 -11.331 69 HG3 GLU 8 1HG GLU 8 -8.232 -3.258 -11.312 70 H ARG 9 H ARG 9 -7.645 1.193 -11.849 71 HA ARG 9 HA ARG 9 -9.765 0.926 -13.746 72 HB2 ARG 9 2HB ARG 9 -9.783 2.516 -11.749 73 HB3 ARG 9 1HB ARG 9 -8.656 3.545 -12.629 74 HG2 ARG 9 2HG ARG 9 -10.373 3.751 -14.465 75 HG3 ARG 9 1HG ARG 9 -11.503 2.844 -13.460 76 HD2 ARG 9 2HD ARG 9 -12.026 5.176 -13.197 77 HD3 ARG 9 1HD ARG 9 -11.245 4.657 -11.702 78 HE ARG 9 HE ARG 9 -9.345 5.727 -13.534 79 HH11 ARG 9 1HH1 ARG 9 -11.794 6.766 -11.225 80 HH12 ARG 9 2HH1 ARG 9 -11.105 8.344 -11.047 81 HH21 ARG 9 1HH2 ARG 9 -8.476 7.778 -13.274 82 HH22 ARG 9 2HH2 ARG 9 -9.230 8.916 -12.207 83 H LEU 10 H LEU 10 -6.448 2.039 -13.905 84 HA LEU 10 HA LEU 10 -6.533 3.733 -16.131 85 HB2 LEU 10 2HB LEU 10 -4.655 3.546 -14.492 86 HB3 LEU 10 1HB LEU 10 -4.180 2.036 -15.250 87 HG LEU 10 HG LEU 10 -3.697 3.248 -17.363 88 HD11 LEU 10 1HD1 LEU 10 -5.350 5.077 -17.118 89 HD12 LEU 10 2HD1 LEU 10 -3.745 5.677 -17.489 90 HD13 LEU 10 3HD1 LEU 10 -4.359 5.794 -15.843 91 HD21 LEU 10 1HD2 LEU 10 -1.896 2.912 -15.704 92 HD22 LEU 10 2HD2 LEU 10 -2.288 4.465 -14.959 93 HD23 LEU 10 3HD2 LEU 10 -1.671 4.404 -16.610 94 H ARG 11 H ARG 11 -6.092 0.277 -15.921 95 HA ARG 11 HA ARG 11 -5.628 -0.607 -18.474 96 HB2 ARG 11 2HB ARG 11 -5.847 -2.151 -16.630 97 HB3 ARG 11 1HB ARG 11 -7.485 -1.612 -16.288 98 HG2 ARG 11 2HG ARG 11 -8.145 -2.625 -18.558 99 HG3 ARG 11 1HG ARG 11 -6.550 -3.388 -18.567 100 HD2 ARG 11 2HD ARG 11 -8.357 -4.881 -17.688 101 HD3 ARG 11 1HD ARG 11 -7.076 -4.592 -16.502 102 HE ARG 11 HE ARG 11 -9.231 -2.722 -16.247 103 HH11 ARG 11 1HH1 ARG 11 -8.365 -6.014 -15.388 104 HH12 ARG 11 2HH1 ARG 11 -9.375 -6.029 -13.982 105 HH21 ARG 11 1HH2 ARG 11 -10.565 -2.776 -14.402 106 HH22 ARG 11 2HH2 ARG 11 -10.619 -4.217 -13.431 107 H GLU 12 H GLU 12 -8.742 0.395 -17.078 108 HA GLU 12 HA GLU 12 -10.188 -0.025 -19.589 109 HB2 GLU 12 2HB GLU 12 -11.157 0.745 -16.806 110 HB3 GLU 12 1HB GLU 12 -12.208 0.408 -18.184 111 HG2 GLU 12 2HG GLU 12 -11.405 -1.906 -18.266 112 HG3 GLU 12 1HG GLU 12 -10.273 -1.584 -16.952 113 H GLU 13 H GLU 13 -8.708 2.595 -17.934 114 HA GLU 13 HA GLU 13 -10.353 4.791 -18.560 115 HB2 GLU 13 2HB GLU 13 -7.362 4.550 -18.078 116 HB3 GLU 13 1HB GLU 13 -8.124 6.107 -18.348 117 HG2 GLU 13 2HG GLU 13 -9.259 4.367 -16.188 118 HG3 GLU 13 1HG GLU 13 -7.691 5.115 -15.898 119 H PHE 14 H PHE 14 -7.411 3.653 -20.249 120 HA PHE 14 HA PHE 14 -8.239 5.111 -22.697 121 HB2 PHE 14 2HB PHE 14 -5.483 4.111 -21.850 122 HB3 PHE 14 1HB PHE 14 -5.835 4.957 -23.354 123 HD1 PHE 14 HD1 PHE 14 -6.120 7.372 -23.388 124 HD2 PHE 14 HD2 PHE 14 -5.605 5.328 -19.666 125 HE1 PHE 14 HE1 PHE 14 -5.750 9.523 -22.246 126 HE2 PHE 14 HE2 PHE 14 -5.230 7.486 -18.541 127 HZ PHE 14 HZ PHE 14 -5.303 9.577 -19.830 128 H ASN 15 H ASN 15 -8.819 2.261 -21.500 129 HA ASN 15 HA ASN 15 -9.311 0.168 -22.219 130 HB2 ASN 15 2HB ASN 15 -9.007 1.303 -25.036 131 HB3 ASN 15 1HB ASN 15 -9.847 -0.186 -24.608 132 HD21 ASN 15 1HD2 ASN 15 -10.804 2.257 -25.954 133 HD22 ASN 15 2HD2 ASN 15 -12.167 2.794 -25.042 134 H ILE 16 H ILE 16 -6.508 1.038 -21.829 135 HA ILE 16 HA ILE 16 -4.853 -0.499 -23.659 136 HB ILE 16 HB ILE 16 -2.950 0.232 -22.194 137 HG12 ILE 16 2HG1 ILE 16 -5.106 1.699 -20.587 138 HG13 ILE 16 1HG1 ILE 16 -4.147 0.339 -20.014 139 HG21 ILE 16 1HG2 ILE 16 -4.747 2.504 -23.115 140 HG22 ILE 16 2HG2 ILE 16 -3.593 1.616 -24.112 141 HG23 ILE 16 3HG2 ILE 16 -3.017 2.625 -22.786 142 HD11 ILE 16 1HD1 ILE 16 -3.112 3.091 -20.692 143 HD12 ILE 16 2HD1 ILE 16 -2.125 1.729 -20.150 144 HD13 ILE 16 3HD1 ILE 16 -3.351 2.414 -19.083 145 H ASN 17 H ASN 17 -3.233 -2.038 -22.750 146 HA ASN 17 HA ASN 17 -4.490 -4.090 -21.160 147 HB2 ASN 17 2HB ASN 17 -1.735 -3.867 -22.452 148 HB3 ASN 17 1HB ASN 17 -2.248 -5.276 -21.524 149 HD21 ASN 17 1HD2 ASN 17 -2.816 -3.417 -24.445 150 HD22 ASN 17 2HD2 ASN 17 -3.678 -4.646 -25.294 151 HA PRO 18 HA PRO 18 -2.971 -3.130 -17.010 152 HB2 PRO 18 2HB PRO 18 -2.095 -6.029 -17.104 153 HB3 PRO 18 1HB PRO 18 -2.930 -5.158 -15.807 154 HG2 PRO 18 2HG PRO 18 -4.302 -6.768 -17.409 155 HG3 PRO 18 1HG PRO 18 -4.997 -5.194 -16.952 156 HD2 PRO 18 2HD PRO 18 -3.729 -6.038 -19.540 157 HD3 PRO 18 1HD PRO 18 -5.094 -4.936 -19.263 158 H GLU 19 H GLU 19 -0.897 -4.872 -19.267 159 HA GLU 19 HA GLU 19 1.618 -4.418 -18.024 160 HB2 GLU 19 2HB GLU 19 0.923 -4.984 -20.938 161 HB3 GLU 19 1HB GLU 19 2.546 -5.082 -20.254 162 HG2 GLU 19 2HG GLU 19 1.916 -6.947 -18.841 163 HG3 GLU 19 1HG GLU 19 0.218 -6.767 -19.279 164 H GLU 20 H GLU 20 -0.119 -2.702 -20.650 165 HA GLU 20 HA GLU 20 1.818 -0.696 -21.178 166 HB2 GLU 20 2HB GLU 20 -1.214 -0.495 -21.516 167 HB3 GLU 20 1HB GLU 20 -0.019 0.546 -22.295 168 HG2 GLU 20 2HG GLU 20 0.862 -1.512 -23.474 169 HG3 GLU 20 1HG GLU 20 -0.496 -2.412 -22.806 170 H ALA 21 H ALA 21 -0.961 -0.848 -19.012 171 HA ALA 21 HA ALA 21 -0.886 1.735 -17.885 172 HB1 ALA 21 1HB ALA 21 -2.276 0.771 -16.084 173 HB2 ALA 21 2HB ALA 21 -1.889 -0.857 -16.649 174 HB3 ALA 21 3HB ALA 21 -2.832 0.227 -17.672 175 H ARG 22 H ARG 22 0.651 -1.314 -16.939 176 HA ARG 22 HA ARG 22 1.685 -0.553 -14.434 177 HB2 ARG 22 2HB ARG 22 1.403 -2.917 -15.268 178 HB3 ARG 22 1HB ARG 22 2.792 -2.672 -16.321 179 HG2 ARG 22 2HG ARG 22 4.226 -2.319 -14.322 180 HG3 ARG 22 1HG ARG 22 2.824 -2.596 -13.284 181 HD2 ARG 22 2HD ARG 22 2.611 -4.892 -14.334 182 HD3 ARG 22 1HD ARG 22 4.151 -4.585 -15.153 183 HE ARG 22 HE ARG 22 3.944 -4.449 -12.212 184 HH11 ARG 22 1HH1 ARG 22 5.449 -5.897 -15.046 185 HH12 ARG 22 2HH1 ARG 22 6.544 -6.858 -14.104 186 HH21 ARG 22 1HH2 ARG 22 5.364 -5.711 -11.013 187 HH22 ARG 22 2HH2 ARG 22 6.502 -6.747 -11.819 188 H GLU 23 H GLU 23 3.121 -0.520 -17.680 189 HA GLU 23 HA GLU 23 5.737 0.338 -17.009 190 HB2 GLU 23 2HB GLU 23 4.151 0.738 -19.578 191 HB3 GLU 23 1HB GLU 23 5.874 1.079 -19.414 192 HG2 GLU 23 2HG GLU 23 6.297 -1.307 -18.917 193 HG3 GLU 23 1HG GLU 23 4.572 -1.644 -19.089 194 H ALA 24 H ALA 24 2.832 2.144 -17.990 195 HA ALA 24 HA ALA 24 3.932 4.736 -18.050 196 HB1 ALA 24 1HB ALA 24 1.598 5.524 -18.029 197 HB2 ALA 24 2HB ALA 24 1.054 3.918 -17.537 198 HB3 ALA 24 3HB ALA 24 1.794 4.147 -19.121 199 H VAL 25 H VAL 25 2.434 2.908 -15.414 200 HA VAL 25 HA VAL 25 2.517 5.035 -13.481 201 HB VAL 25 HB VAL 25 2.140 2.033 -13.018 202 HG11 VAL 25 1HG1 VAL 25 1.572 4.377 -11.151 203 HG12 VAL 25 2HG1 VAL 25 2.845 3.171 -10.953 204 HG13 VAL 25 3HG1 VAL 25 1.157 2.688 -10.835 205 HG21 VAL 25 1HG2 VAL 25 0.374 3.000 -14.465 206 HG22 VAL 25 2HG2 VAL 25 0.039 4.233 -13.252 207 HG23 VAL 25 3HG2 VAL 25 -0.277 2.532 -12.894 208 H GLU 26 H GLU 26 4.689 2.392 -14.399 209 HA GLU 26 HA GLU 26 6.399 2.555 -12.100 210 HB2 GLU 26 2HB GLU 26 6.163 0.537 -13.648 211 HB3 GLU 26 1HB GLU 26 7.132 1.417 -14.825 212 HG2 GLU 26 2HG GLU 26 8.970 1.555 -13.117 213 HG3 GLU 26 1HG GLU 26 8.002 0.541 -12.051 214 H LYS 27 H LYS 27 6.438 4.000 -15.333 215 HA LYS 27 HA LYS 27 8.906 5.413 -15.132 216 HB2 LYS 27 2HB LYS 27 6.434 6.008 -16.811 217 HB3 LYS 27 1HB LYS 27 7.994 6.801 -17.023 218 HG2 LYS 27 2HG LYS 27 9.019 4.711 -17.742 219 HG3 LYS 27 1HG LYS 27 7.545 3.813 -17.358 220 HD2 LYS 27 2HD LYS 27 6.332 5.164 -19.102 221 HD3 LYS 27 1HD LYS 27 7.869 5.915 -19.540 222 HE2 LYS 27 2HE LYS 27 8.759 3.729 -20.210 223 HE3 LYS 27 1HE LYS 27 7.265 2.939 -19.698 224 HZ1 LYS 27 1HZ LYS 27 6.072 4.114 -21.402 225 HZ2 LYS 27 2HZ LYS 27 7.378 3.306 -22.106 226 HZ3 LYS 27 3HZ LYS 27 7.460 4.974 -21.851 227 H ALA 28 H ALA 28 5.597 6.080 -14.175 228 HA ALA 28 HA ALA 28 5.985 8.771 -13.228 229 HB1 ALA 28 1HB ALA 28 3.806 6.766 -12.557 230 HB2 ALA 28 2HB ALA 28 3.771 7.920 -13.890 231 HB3 ALA 28 3HB ALA 28 3.756 8.499 -12.222 232 H GLY 29 H GLY 29 6.782 5.677 -12.012 233 HA2 GLY 29 2HA GLY 29 7.791 4.952 -10.094 234 HA3 GLY 29 1HA GLY 29 7.972 6.631 -9.608 235 H GLY 30 H GLY 30 4.845 5.388 -10.379 236 HA2 GLY 30 2HA GLY 30 3.048 4.691 -9.135 237 HA3 GLY 30 1HA GLY 30 4.036 4.724 -7.684 238 H ASN 31 H ASN 31 2.107 6.643 -9.910 239 HA ASN 31 HA ASN 31 0.962 8.168 -7.802 240 HB2 ASN 31 2HB ASN 31 3.148 9.428 -8.113 241 HB3 ASN 31 1HB ASN 31 2.664 9.794 -9.764 242 HD21 ASN 31 1HD2 ASN 31 1.967 10.347 -6.374 243 HD22 ASN 31 2HD2 ASN 31 1.010 11.770 -6.599 244 H GLU 32 H GLU 32 -0.971 9.122 -8.485 245 HA GLU 32 HA GLU 32 -2.164 8.013 -10.832 246 HB2 GLU 32 2HB GLU 32 -3.210 10.074 -8.844 247 HB3 GLU 32 1HB GLU 32 -4.200 9.279 -10.069 248 HG2 GLU 32 2HG GLU 32 -4.036 7.159 -8.993 249 HG3 GLU 32 1HG GLU 32 -2.679 7.674 -7.996 250 H GLU 33 H GLU 33 -1.251 11.327 -9.865 251 HA GLU 33 HA GLU 33 -2.364 12.546 -12.256 252 HB2 GLU 33 2HB GLU 33 -2.377 13.649 -9.989 253 HB3 GLU 33 1HB GLU 33 -0.627 13.808 -10.090 254 HG2 GLU 33 2HG GLU 33 -0.896 15.238 -12.109 255 HG3 GLU 33 1HG GLU 33 -2.646 15.099 -11.958 256 H GLU 34 H GLU 34 0.837 11.596 -11.109 257 HA GLU 34 HA GLU 34 2.350 12.852 -13.185 258 HB2 GLU 34 2HB GLU 34 3.350 12.130 -11.031 259 HB3 GLU 34 1HB GLU 34 3.056 10.448 -11.447 260 HG2 GLU 34 2HG GLU 34 5.397 11.008 -11.786 261 HG3 GLU 34 1HG GLU 34 4.633 10.623 -13.327 262 H ALA 35 H ALA 35 1.168 9.495 -12.699 263 HA ALA 35 HA ALA 35 2.032 8.396 -15.146 264 HB1 ALA 35 1HB ALA 35 -0.352 7.535 -13.480 265 HB2 ALA 35 2HB ALA 35 1.313 6.988 -13.266 266 HB3 ALA 35 3HB ALA 35 0.431 6.581 -14.740 267 H ARG 36 H ARG 36 -0.862 10.161 -14.251 268 HA ARG 36 HA ARG 36 -2.717 9.826 -16.186 269 HB2 ARG 36 2HB ARG 36 -2.815 11.410 -14.239 270 HB3 ARG 36 1HB ARG 36 -1.789 12.524 -15.119 271 HG2 ARG 36 2HG ARG 36 -3.885 13.452 -15.454 272 HG3 ARG 36 1HG ARG 36 -3.696 12.495 -16.924 273 HD2 ARG 36 2HD ARG 36 -5.199 11.589 -14.446 274 HD3 ARG 36 1HD ARG 36 -5.952 12.304 -15.869 275 HE ARG 36 HE ARG 36 -4.444 10.066 -16.679 276 HH11 ARG 36 1HH1 ARG 36 -7.411 10.802 -14.938 277 HH12 ARG 36 2HH1 ARG 36 -8.116 9.244 -15.242 278 HH21 ARG 36 1HH2 ARG 36 -5.382 8.009 -17.041 279 HH22 ARG 36 2HH2 ARG 36 -6.964 7.673 -16.417 280 H ARG 37 H ARG 37 0.199 11.802 -16.492 281 HA ARG 37 HA ARG 37 -0.390 12.715 -19.184 282 HB2 ARG 37 2HB ARG 37 2.119 13.109 -17.497 283 HB3 ARG 37 1HB ARG 37 1.705 13.981 -18.972 284 HG2 ARG 37 2HG ARG 37 0.275 14.155 -16.294 285 HG3 ARG 37 1HG ARG 37 1.314 15.384 -17.027 286 HD2 ARG 37 2HD ARG 37 -1.396 14.449 -18.028 287 HD3 ARG 37 1HD ARG 37 -1.009 16.015 -17.309 288 HE ARG 37 HE ARG 37 0.529 15.450 -19.677 289 HH11 ARG 37 1HH1 ARG 37 -2.536 16.772 -18.557 290 HH12 ARG 37 2HH1 ARG 37 -2.840 17.606 -20.047 291 HH21 ARG 37 1HH2 ARG 37 0.093 16.553 -21.617 292 HH22 ARG 37 2HH2 ARG 37 -1.364 17.484 -21.766 293 H ILE 38 H ILE 38 1.740 10.401 -17.572 294 HA ILE 38 HA ILE 38 3.523 9.985 -19.786 295 HB ILE 38 HB ILE 38 3.186 8.353 -17.227 296 HG12 ILE 38 2HG1 ILE 38 5.078 10.669 -17.883 297 HG13 ILE 38 1HG1 ILE 38 3.720 10.727 -16.766 298 HG21 ILE 38 1HG2 ILE 38 4.412 7.063 -18.944 299 HG22 ILE 38 2HG2 ILE 38 5.485 7.531 -17.629 300 HG23 ILE 38 3HG2 ILE 38 5.544 8.403 -19.162 301 HD11 ILE 38 1HD1 ILE 38 6.256 9.128 -16.428 302 HD12 ILE 38 2HD1 ILE 38 4.881 9.110 -15.319 303 HD13 ILE 38 3HD1 ILE 38 5.795 10.596 -15.566 304 H VAL 39 H VAL 39 0.462 8.574 -18.915 305 HA VAL 39 HA VAL 39 0.634 6.084 -20.273 306 HB VAL 39 HB VAL 39 -1.857 7.806 -19.850 307 HG11 VAL 39 1HG1 VAL 39 -2.268 6.090 -21.551 308 HG12 VAL 39 2HG1 VAL 39 -3.121 5.668 -20.069 309 HG13 VAL 39 3HG1 VAL 39 -1.625 4.832 -20.491 310 HG21 VAL 39 1HG2 VAL 39 -0.824 5.523 -18.121 311 HG22 VAL 39 2HG2 VAL 39 -2.244 6.527 -17.820 312 HG23 VAL 39 3HG2 VAL 39 -0.641 7.231 -17.746 313 H LYS 40 H LYS 40 -0.135 9.334 -21.351 314 HA LYS 40 HA LYS 40 -0.977 8.783 -23.995 315 HB2 LYS 40 2HB LYS 40 -1.175 10.962 -22.537 316 HB3 LYS 40 1HB LYS 40 0.429 11.348 -23.137 317 HG2 LYS 40 2HG LYS 40 -1.947 10.822 -24.950 318 HG3 LYS 40 1HG LYS 40 -1.551 12.427 -24.335 319 HD2 LYS 40 2HD LYS 40 0.601 12.380 -25.518 320 HD3 LYS 40 1HD LYS 40 0.310 10.721 -26.042 321 HE2 LYS 40 2HE LYS 40 -1.296 13.159 -26.871 322 HE3 LYS 40 1HE LYS 40 -0.147 12.273 -27.874 323 HZ1 LYS 40 1HZ LYS 40 -2.392 11.615 -28.380 324 HZ2 LYS 40 2HZ LYS 40 -2.688 11.206 -26.770 325 HZ3 LYS 40 3HZ LYS 40 -1.576 10.312 -27.674 326 H LYS 41 H LYS 41 2.162 9.311 -22.480 327 HA LYS 41 HA LYS 41 3.663 9.287 -24.960 328 HB2 LYS 41 2HB LYS 41 4.348 10.680 -22.976 329 HB3 LYS 41 1HB LYS 41 4.702 9.199 -22.095 330 HG2 LYS 41 2HG LYS 41 6.767 10.143 -22.978 331 HG3 LYS 41 1HG LYS 41 6.420 8.608 -23.782 332 HD2 LYS 41 2HD LYS 41 5.454 9.895 -25.724 333 HD3 LYS 41 1HD LYS 41 5.928 11.394 -24.918 334 HE2 LYS 41 2HE LYS 41 7.791 9.207 -25.896 335 HE3 LYS 41 1HE LYS 41 7.565 10.801 -26.620 336 HZ1 LYS 41 1HZ LYS 41 8.688 10.225 -23.935 337 HZ2 LYS 41 2HZ LYS 41 8.410 11.776 -24.553 338 HZ3 LYS 41 3HZ LYS 41 9.544 10.763 -25.289 339 H ARG 42 H ARG 42 4.265 7.478 -25.954 340 HA ARG 42 HA ARG 42 4.054 4.841 -24.761 341 HB2 ARG 42 2HB ARG 42 4.748 4.047 -27.040 342 HB3 ARG 42 1HB ARG 42 3.354 5.119 -27.073 343 HG2 ARG 42 2HG ARG 42 4.836 6.995 -27.767 344 HG3 ARG 42 1HG ARG 42 6.207 5.885 -27.779 345 HD2 ARG 42 2HD ARG 42 3.732 5.599 -29.522 346 HD3 ARG 42 1HD ARG 42 5.263 6.304 -30.049 347 HE ARG 42 HE ARG 42 6.006 3.866 -29.130 348 HH11 ARG 42 1HH1 ARG 42 3.513 4.797 -31.422 349 HH12 ARG 42 2HH1 ARG 42 3.687 3.357 -32.370 350 HH21 ARG 42 1HH2 ARG 42 6.212 1.985 -30.381 351 HH22 ARG 42 2HH2 ARG 42 5.216 1.772 -31.788 352 H LEU 43 H LEU 43 6.641 7.093 -25.529 353 HA LEU 43 HA LEU 43 8.732 5.090 -24.906 354 HB2 LEU 43 2HB LEU 43 8.634 6.541 -27.120 355 HB3 LEU 43 1HB LEU 43 9.278 7.825 -26.123 356 HG LEU 43 HG LEU 43 10.641 5.145 -26.648 357 HD11 LEU 43 1HD1 LEU 43 11.299 7.873 -27.811 358 HD12 LEU 43 2HD1 LEU 43 10.555 6.526 -28.679 359 HD13 LEU 43 3HD1 LEU 43 12.203 6.381 -28.073 360 HD21 LEU 43 1HD2 LEU 43 11.316 6.046 -24.470 361 HD22 LEU 43 2HD2 LEU 43 11.746 7.585 -25.221 362 HD23 LEU 43 3HD2 LEU 43 12.645 6.120 -25.623 Start of MODEL 3 1 HA ARG 1 HA ARG 1 2.686 -1.926 -4.117 2 HB2 ARG 1 2HB ARG 1 0.799 -3.926 -2.798 3 HB3 ARG 1 1HB ARG 1 0.821 -3.597 -4.530 4 HG2 ARG 1 2HG ARG 1 3.068 -4.476 -4.732 5 HG3 ARG 1 1HG ARG 1 3.213 -4.646 -2.982 6 HD2 ARG 1 2HD ARG 1 2.791 -6.800 -4.143 7 HD3 ARG 1 1HD ARG 1 1.538 -6.409 -2.963 8 HE ARG 1 HE ARG 1 0.529 -5.437 -5.289 9 HH11 ARG 1 1HH1 ARG 1 1.794 -8.621 -4.479 10 HH12 ARG 1 2HH1 ARG 1 0.672 -9.432 -5.518 11 HH21 ARG 1 1HH2 ARG 1 -0.934 -6.546 -6.586 12 HH22 ARG 1 2HH2 ARG 1 -0.854 -8.277 -6.701 13 H LYS 2 H LYS 2 2.149 0.336 -3.722 14 HA LYS 2 HA LYS 2 -0.780 0.810 -3.497 15 HB2 LYS 2 2HB LYS 2 -0.278 3.170 -2.946 16 HB3 LYS 2 1HB LYS 2 0.373 2.057 -1.755 17 HG2 LYS 2 2HG LYS 2 2.179 3.075 -3.948 18 HG3 LYS 2 1HG LYS 2 1.773 4.146 -2.606 19 HD2 LYS 2 2HD LYS 2 2.653 2.410 -1.014 20 HD3 LYS 2 1HD LYS 2 3.145 1.429 -2.400 21 HE2 LYS 2 2HE LYS 2 5.037 2.738 -1.457 22 HE3 LYS 2 1HE LYS 2 4.696 3.187 -3.128 23 HZ1 LYS 2 1HZ LYS 2 3.820 4.689 -0.718 24 HZ2 LYS 2 2HZ LYS 2 3.495 5.124 -2.320 25 HZ3 LYS 2 3HZ LYS 2 5.083 5.121 -1.752 26 H TRP 3 H TRP 3 1.474 0.324 -5.778 27 HA TRP 3 HA TRP 3 0.763 2.373 -7.727 28 HB2 TRP 3 2HB TRP 3 2.317 1.099 -9.199 29 HB3 TRP 3 1HB TRP 3 3.059 1.405 -7.636 30 HD1 TRP 3 HD1 TRP 3 3.356 -0.769 -5.967 31 HE1 TRP 3 HE1 TRP 3 3.553 -3.277 -6.483 32 HE3 TRP 3 HE3 TRP 3 1.524 -0.783 -10.738 33 HZ2 TRP 3 HZ2 TRP 3 2.993 -5.027 -8.592 34 HZ3 TRP 3 HZ3 TRP 3 1.367 -2.920 -11.936 35 HH2 TRP 3 HH2 TRP 3 2.089 -5.004 -10.884 36 H GLU 4 H GLU 4 -1.412 0.624 -6.669 37 HA GLU 4 HA GLU 4 -2.013 -1.173 -8.944 38 HB2 GLU 4 2HB GLU 4 -1.009 -2.237 -6.835 39 HB3 GLU 4 1HB GLU 4 -2.508 -1.819 -6.015 40 HG2 GLU 4 2HG GLU 4 -3.766 -3.247 -7.573 41 HG3 GLU 4 1HG GLU 4 -2.274 -3.623 -8.443 42 H GLU 5 H GLU 5 -3.299 0.622 -6.159 43 HA GLU 5 HA GLU 5 -5.971 0.909 -6.881 44 HB2 GLU 5 2HB GLU 5 -5.094 1.830 -4.786 45 HB3 GLU 5 1HB GLU 5 -4.014 2.910 -5.662 46 HG2 GLU 5 2HG GLU 5 -6.045 4.086 -6.578 47 HG3 GLU 5 1HG GLU 5 -7.044 3.073 -5.536 48 H ILE 6 H ILE 6 -3.072 2.568 -7.978 49 HA ILE 6 HA ILE 6 -4.150 4.417 -9.796 50 HB ILE 6 HB ILE 6 -1.461 2.974 -9.968 51 HG12 ILE 6 2HG1 ILE 6 -2.088 5.636 -8.602 52 HG13 ILE 6 1HG1 ILE 6 -1.839 4.112 -7.757 53 HG21 ILE 6 1HG2 ILE 6 -0.704 4.975 -11.252 54 HG22 ILE 6 2HG2 ILE 6 -2.353 5.601 -11.221 55 HG23 ILE 6 3HG2 ILE 6 -1.995 4.099 -12.072 56 HD11 ILE 6 1HD1 ILE 6 0.209 5.556 -9.432 57 HD12 ILE 6 2HD1 ILE 6 0.463 4.043 -8.555 58 HD13 ILE 6 3HD1 ILE 6 0.118 5.529 -7.674 59 H ALA 7 H ALA 7 -2.656 1.218 -10.406 60 HA ALA 7 HA ALA 7 -3.101 1.041 -13.156 61 HB1 ALA 7 1HB ALA 7 -2.550 -1.345 -12.909 62 HB2 ALA 7 2HB ALA 7 -2.783 -1.222 -11.163 63 HB3 ALA 7 3HB ALA 7 -1.466 -0.342 -11.939 64 H GLU 8 H GLU 8 -5.236 0.382 -10.504 65 HA GLU 8 HA GLU 8 -7.242 -1.177 -11.739 66 HB2 GLU 8 2HB GLU 8 -6.922 -0.732 -9.248 67 HB3 GLU 8 1HB GLU 8 -7.590 0.872 -9.501 68 HG2 GLU 8 2HG GLU 8 -9.355 -0.427 -8.632 69 HG3 GLU 8 1HG GLU 8 -9.709 -0.256 -10.347 70 H ARG 9 H ARG 9 -6.968 2.345 -11.236 71 HA ARG 9 HA ARG 9 -9.352 2.929 -12.829 72 HB2 ARG 9 2HB ARG 9 -8.839 3.980 -10.569 73 HB3 ARG 9 1HB ARG 9 -7.510 4.846 -11.332 74 HG2 ARG 9 2HG ARG 9 -9.030 6.117 -12.703 75 HG3 ARG 9 1HG ARG 9 -10.392 5.100 -12.229 76 HD2 ARG 9 2HD ARG 9 -8.845 6.961 -10.395 77 HD3 ARG 9 1HD ARG 9 -10.449 7.272 -11.066 78 HE ARG 9 HE ARG 9 -10.263 4.821 -9.543 79 HH11 ARG 9 1HH1 ARG 9 -10.923 8.271 -9.284 80 HH12 ARG 9 2HH1 ARG 9 -11.772 8.101 -7.784 81 HH21 ARG 9 1HH2 ARG 9 -11.391 4.630 -7.604 82 HH22 ARG 9 2HH2 ARG 9 -12.042 6.043 -6.833 83 H LEU 10 H LEU 10 -6.018 2.685 -13.311 84 HA LEU 10 HA LEU 10 -5.484 4.664 -15.299 85 HB2 LEU 10 2HB LEU 10 -3.712 3.711 -13.936 86 HB3 LEU 10 1HB LEU 10 -4.108 2.091 -14.461 87 HG LEU 10 HG LEU 10 -3.162 2.508 -16.673 88 HD11 LEU 10 1HD1 LEU 10 -2.033 4.601 -17.247 89 HD12 LEU 10 2HD1 LEU 10 -2.603 5.334 -15.744 90 HD13 LEU 10 3HD1 LEU 10 -3.760 4.843 -16.987 91 HD21 LEU 10 1HD2 LEU 10 -1.267 3.439 -14.483 92 HD22 LEU 10 2HD2 LEU 10 -0.799 2.785 -16.055 93 HD23 LEU 10 3HD2 LEU 10 -1.633 1.760 -14.891 94 H ARG 11 H ARG 11 -6.516 1.297 -15.350 95 HA ARG 11 HA ARG 11 -6.382 0.829 -18.143 96 HB2 ARG 11 2HB ARG 11 -6.592 -0.917 -16.279 97 HB3 ARG 11 1HB ARG 11 -8.297 -0.493 -16.175 98 HG2 ARG 11 2HG ARG 11 -8.485 -1.133 -18.645 99 HG3 ARG 11 1HG ARG 11 -6.841 -1.767 -18.516 100 HD2 ARG 11 2HD ARG 11 -9.341 -2.746 -17.101 101 HD3 ARG 11 1HD ARG 11 -8.326 -3.629 -18.241 102 HE ARG 11 HE ARG 11 -7.553 -2.903 -15.483 103 HH11 ARG 11 1HH1 ARG 11 -7.056 -5.002 -18.242 104 HH12 ARG 11 2HH1 ARG 11 -6.252 -6.223 -17.312 105 HH21 ARG 11 1HH2 ARG 11 -6.523 -4.495 -14.274 106 HH22 ARG 11 2HH2 ARG 11 -5.971 -5.948 -15.048 107 H GLU 12 H GLU 12 -8.803 2.289 -16.060 108 HA GLU 12 HA GLU 12 -10.935 2.177 -18.023 109 HB2 GLU 12 2HB GLU 12 -10.902 3.462 -15.260 110 HB3 GLU 12 1HB GLU 12 -12.329 3.224 -16.273 111 HG2 GLU 12 2HG GLU 12 -10.634 1.121 -14.906 112 HG3 GLU 12 1HG GLU 12 -12.329 1.504 -14.615 113 H GLU 13 H GLU 13 -8.425 4.394 -17.267 114 HA GLU 13 HA GLU 13 -9.618 6.816 -18.177 115 HB2 GLU 13 2HB GLU 13 -7.538 6.975 -16.967 116 HB3 GLU 13 1HB GLU 13 -6.723 5.876 -18.068 117 HG2 GLU 13 2HG GLU 13 -5.976 8.173 -18.419 118 HG3 GLU 13 1HG GLU 13 -6.788 7.559 -19.853 119 H PHE 14 H PHE 14 -7.553 4.434 -19.813 120 HA PHE 14 HA PHE 14 -8.764 5.009 -22.426 121 HB2 PHE 14 2HB PHE 14 -6.650 6.471 -22.065 122 HB3 PHE 14 1HB PHE 14 -5.719 4.982 -22.039 123 HD1 PHE 14 HD1 PHE 14 -4.889 4.114 -24.105 124 HD2 PHE 14 HD2 PHE 14 -8.073 6.963 -24.184 125 HE1 PHE 14 HE1 PHE 14 -4.663 4.302 -26.546 126 HE2 PHE 14 HE2 PHE 14 -7.847 7.145 -26.629 127 HZ PHE 14 HZ PHE 14 -6.140 5.821 -27.814 128 H ASN 15 H ASN 15 -8.935 3.135 -23.608 129 HA ASN 15 HA ASN 15 -8.653 0.637 -22.331 130 HB2 ASN 15 2HB ASN 15 -9.085 1.294 -25.281 131 HB3 ASN 15 1HB ASN 15 -9.182 -0.334 -24.619 132 HD21 ASN 15 1HD2 ASN 15 -10.975 -0.909 -23.373 133 HD22 ASN 15 2HD2 ASN 15 -12.388 0.075 -23.261 134 H ILE 16 H ILE 16 -6.627 0.196 -21.658 135 HA ILE 16 HA ILE 16 -4.460 -0.154 -23.653 136 HB ILE 16 HB ILE 16 -2.799 0.527 -21.925 137 HG12 ILE 16 2HG1 ILE 16 -5.217 1.351 -20.229 138 HG13 ILE 16 1HG1 ILE 16 -4.128 0.015 -19.873 139 HG21 ILE 16 1HG2 ILE 16 -3.182 2.963 -22.017 140 HG22 ILE 16 2HG2 ILE 16 -4.859 2.691 -22.491 141 HG23 ILE 16 3HG2 ILE 16 -3.546 2.196 -23.562 142 HD11 ILE 16 1HD1 ILE 16 -3.640 1.921 -18.477 143 HD12 ILE 16 2HD1 ILE 16 -3.408 2.946 -19.892 144 HD13 ILE 16 3HD1 ILE 16 -2.287 1.619 -19.568 145 H ASN 17 H ASN 17 -2.784 -1.646 -22.901 146 HA ASN 17 HA ASN 17 -3.931 -4.038 -21.640 147 HB2 ASN 17 2HB ASN 17 -1.339 -3.601 -23.190 148 HB3 ASN 17 1HB ASN 17 -1.910 -5.157 -22.600 149 HD21 ASN 17 1HD2 ASN 17 -1.997 -6.086 -24.622 150 HD22 ASN 17 2HD2 ASN 17 -3.169 -5.644 -25.813 151 HA PRO 18 HA PRO 18 -1.537 -3.964 -17.737 152 HB2 PRO 18 2HB PRO 18 -0.483 -6.615 -18.778 153 HB3 PRO 18 1HB PRO 18 -1.026 -6.190 -17.144 154 HG2 PRO 18 2HG PRO 18 -2.653 -7.532 -18.760 155 HG3 PRO 18 1HG PRO 18 -3.300 -6.213 -17.758 156 HD2 PRO 18 2HD PRO 18 -2.729 -6.255 -20.705 157 HD3 PRO 18 1HD PRO 18 -4.006 -5.402 -19.813 158 H GLU 19 H GLU 19 0.143 -4.860 -20.734 159 HA GLU 19 HA GLU 19 2.812 -4.434 -19.875 160 HB2 GLU 19 2HB GLU 19 3.386 -4.472 -22.274 161 HB3 GLU 19 1HB GLU 19 2.248 -5.755 -21.873 162 HG2 GLU 19 2HG GLU 19 0.404 -4.173 -22.719 163 HG3 GLU 19 1HG GLU 19 1.699 -3.180 -23.377 164 H GLU 20 H GLU 20 0.408 -2.305 -21.327 165 HA GLU 20 HA GLU 20 2.108 -0.013 -21.702 166 HB2 GLU 20 2HB GLU 20 -0.943 -0.201 -21.624 167 HB3 GLU 20 1HB GLU 20 -0.007 1.151 -22.261 168 HG2 GLU 20 2HG GLU 20 -0.041 -1.665 -23.404 169 HG3 GLU 20 1HG GLU 20 -0.960 -0.296 -24.028 170 H ALA 21 H ALA 21 -0.291 -1.074 -19.359 171 HA ALA 21 HA ALA 21 -0.453 1.250 -17.769 172 HB1 ALA 21 1HB ALA 21 -2.222 -0.454 -17.835 173 HB2 ALA 21 2HB ALA 21 -1.671 -0.188 -16.180 174 HB3 ALA 21 3HB ALA 21 -1.145 -1.622 -17.067 175 H ARG 22 H ARG 22 1.597 -1.637 -17.596 176 HA ARG 22 HA ARG 22 2.541 -1.293 -14.945 177 HB2 ARG 22 2HB ARG 22 2.669 -3.468 -16.192 178 HB3 ARG 22 1HB ARG 22 3.914 -2.785 -17.228 179 HG2 ARG 22 2HG ARG 22 4.935 -4.198 -15.515 180 HG3 ARG 22 1HG ARG 22 5.407 -2.514 -15.260 181 HD2 ARG 22 2HD ARG 22 3.697 -2.305 -13.491 182 HD3 ARG 22 1HD ARG 22 3.219 -3.985 -13.745 183 HE ARG 22 HE ARG 22 5.820 -3.078 -12.677 184 HH11 ARG 22 1HH1 ARG 22 3.381 -5.596 -12.923 185 HH12 ARG 22 2HH1 ARG 22 4.149 -6.616 -11.750 186 HH21 ARG 22 1HH2 ARG 22 6.812 -4.415 -11.123 187 HH22 ARG 22 2HH2 ARG 22 6.087 -5.943 -10.731 188 H GLU 23 H GLU 23 3.971 -0.473 -18.109 189 HA GLU 23 HA GLU 23 6.342 0.713 -17.096 190 HB2 GLU 23 2HB GLU 23 6.058 -0.082 -19.464 191 HB3 GLU 23 1HB GLU 23 5.006 1.298 -19.767 192 HG2 GLU 23 2HG GLU 23 6.908 2.824 -19.192 193 HG3 GLU 23 1HG GLU 23 7.949 1.412 -19.001 194 H ALA 24 H ALA 24 3.143 1.964 -17.830 195 HA ALA 24 HA ALA 24 3.629 4.733 -17.660 196 HB1 ALA 24 1HB ALA 24 1.192 4.936 -17.361 197 HB2 ALA 24 2HB ALA 24 1.076 3.202 -17.041 198 HB3 ALA 24 3HB ALA 24 1.584 3.776 -18.630 199 H VAL 25 H VAL 25 2.676 2.367 -15.154 200 HA VAL 25 HA VAL 25 2.310 4.408 -13.140 201 HB VAL 25 HB VAL 25 0.850 2.393 -13.242 202 HG11 VAL 25 1HG1 VAL 25 3.265 0.848 -12.229 203 HG12 VAL 25 2HG1 VAL 25 2.518 0.678 -13.817 204 HG13 VAL 25 3HG1 VAL 25 1.619 0.219 -12.371 205 HG21 VAL 25 1HG2 VAL 25 2.339 2.719 -10.611 206 HG22 VAL 25 2HG2 VAL 25 0.732 2.017 -10.805 207 HG23 VAL 25 3HG2 VAL 25 0.999 3.720 -11.174 208 H GLU 26 H GLU 26 4.872 2.076 -13.941 209 HA GLU 26 HA GLU 26 6.400 2.505 -11.536 210 HB2 GLU 26 2HB GLU 26 8.203 1.274 -12.626 211 HB3 GLU 26 1HB GLU 26 6.672 0.444 -12.898 212 HG2 GLU 26 2HG GLU 26 6.563 1.391 -15.174 213 HG3 GLU 26 1HG GLU 26 8.085 2.233 -14.904 214 H LYS 27 H LYS 27 6.268 4.016 -14.720 215 HA LYS 27 HA LYS 27 8.545 5.754 -14.371 216 HB2 LYS 27 2HB LYS 27 7.437 4.918 -16.585 217 HB3 LYS 27 1HB LYS 27 6.264 6.201 -16.343 218 HG2 LYS 27 2HG LYS 27 9.256 6.709 -16.534 219 HG3 LYS 27 1HG LYS 27 8.207 6.659 -17.951 220 HD2 LYS 27 2HD LYS 27 6.894 8.548 -17.012 221 HD3 LYS 27 1HD LYS 27 7.977 8.604 -15.622 222 HE2 LYS 27 2HE LYS 27 9.855 9.198 -17.075 223 HE3 LYS 27 1HE LYS 27 8.823 9.063 -18.502 224 HZ1 LYS 27 1HZ LYS 27 9.097 11.358 -17.810 225 HZ2 LYS 27 2HZ LYS 27 8.456 11.009 -16.288 226 HZ3 LYS 27 3HZ LYS 27 7.481 10.884 -17.662 227 H ALA 28 H ALA 28 5.082 5.910 -13.770 228 HA ALA 28 HA ALA 28 4.914 8.609 -12.868 229 HB1 ALA 28 1HB ALA 28 2.916 7.308 -13.476 230 HB2 ALA 28 2HB ALA 28 2.790 7.917 -11.825 231 HB3 ALA 28 3HB ALA 28 3.194 6.222 -12.115 232 H GLY 29 H GLY 29 5.974 5.625 -11.419 233 HA2 GLY 29 2HA GLY 29 7.105 5.135 -9.497 234 HA3 GLY 29 1HA GLY 29 7.396 6.858 -9.314 235 H GLY 30 H GLY 30 4.192 5.455 -9.469 236 HA2 GLY 30 2HA GLY 30 2.643 5.020 -7.764 237 HA3 GLY 30 1HA GLY 30 3.749 5.687 -6.575 238 H ASN 31 H ASN 31 2.417 7.044 -9.611 239 HA ASN 31 HA ASN 31 0.785 8.958 -8.059 240 HB2 ASN 31 2HB ASN 31 2.888 10.126 -8.862 241 HB3 ASN 31 1HB ASN 31 2.402 9.772 -10.519 242 HD21 ASN 31 1HD2 ASN 31 1.661 11.653 -7.658 243 HD22 ASN 31 2HD2 ASN 31 0.610 12.783 -8.430 244 H GLU 32 H GLU 32 -1.187 9.450 -9.017 245 HA GLU 32 HA GLU 32 -2.218 7.259 -10.589 246 HB2 GLU 32 2HB GLU 32 -3.598 9.673 -9.353 247 HB3 GLU 32 1HB GLU 32 -4.419 8.272 -10.040 248 HG2 GLU 32 2HG GLU 32 -3.452 6.814 -8.320 249 HG3 GLU 32 1HG GLU 32 -2.521 8.167 -7.674 250 H GLU 33 H GLU 33 -2.312 10.828 -10.944 251 HA GLU 33 HA GLU 33 -3.566 10.748 -13.502 252 HB2 GLU 33 2HB GLU 33 -3.810 12.701 -11.981 253 HB3 GLU 33 1HB GLU 33 -2.102 13.079 -12.196 254 HG2 GLU 33 2HG GLU 33 -2.496 13.473 -14.612 255 HG3 GLU 33 1HG GLU 33 -4.204 13.087 -14.393 256 H GLU 34 H GLU 34 -0.217 11.252 -12.413 257 HA GLU 34 HA GLU 34 1.098 11.897 -14.747 258 HB2 GLU 34 2HB GLU 34 2.196 11.862 -12.536 259 HB3 GLU 34 1HB GLU 34 2.077 10.114 -12.467 260 HG2 GLU 34 2HG GLU 34 4.342 10.741 -12.977 261 HG3 GLU 34 1HG GLU 34 3.646 9.936 -14.380 262 H ALA 35 H ALA 35 0.391 8.636 -13.489 263 HA ALA 35 HA ALA 35 1.629 7.024 -15.378 264 HB1 ALA 35 1HB ALA 35 0.103 5.236 -14.648 265 HB2 ALA 35 2HB ALA 35 -0.958 6.432 -13.895 266 HB3 ALA 35 3HB ALA 35 0.671 6.182 -13.268 267 H ARG 36 H ARG 36 -1.674 8.354 -15.450 268 HA ARG 36 HA ARG 36 -2.294 7.064 -17.969 269 HB2 ARG 36 2HB ARG 36 -4.520 8.220 -17.740 270 HB3 ARG 36 1HB ARG 36 -4.104 7.113 -16.444 271 HG2 ARG 36 2HG ARG 36 -3.469 9.064 -15.030 272 HG3 ARG 36 1HG ARG 36 -4.001 10.142 -16.323 273 HD2 ARG 36 2HD ARG 36 -6.290 9.242 -16.142 274 HD3 ARG 36 1HD ARG 36 -5.767 8.129 -14.879 275 HE ARG 36 HE ARG 36 -5.423 9.988 -13.410 276 HH11 ARG 36 1HH1 ARG 36 -7.040 10.933 -16.398 277 HH12 ARG 36 2HH1 ARG 36 -7.816 12.304 -15.668 278 HH21 ARG 36 1HH2 ARG 36 -6.445 11.790 -12.502 279 HH22 ARG 36 2HH2 ARG 36 -7.465 12.791 -13.485 280 H ARG 37 H ARG 37 -0.805 10.025 -17.142 281 HA ARG 37 HA ARG 37 -1.387 11.288 -19.717 282 HB2 ARG 37 2HB ARG 37 0.600 12.134 -17.567 283 HB3 ARG 37 1HB ARG 37 0.140 13.086 -18.982 284 HG2 ARG 37 2HG ARG 37 -2.235 13.082 -18.082 285 HG3 ARG 37 1HG ARG 37 -1.606 12.334 -16.619 286 HD2 ARG 37 2HD ARG 37 -1.694 14.609 -16.064 287 HD3 ARG 37 1HD ARG 37 0.001 14.368 -16.502 288 HE ARG 37 HE ARG 37 -1.952 15.383 -18.466 289 HH11 ARG 37 1HH1 ARG 37 1.110 15.837 -16.801 290 HH12 ARG 37 2HH1 ARG 37 1.411 17.359 -17.569 291 HH21 ARG 37 1HH2 ARG 37 -1.545 17.376 -19.414 292 HH22 ARG 37 2HH2 ARG 37 -0.080 18.223 -19.032 293 H ILE 38 H ILE 38 1.017 9.231 -18.283 294 HA ILE 38 HA ILE 38 3.124 9.606 -20.197 295 HB ILE 38 HB ILE 38 2.557 7.346 -18.222 296 HG12 ILE 38 2HG1 ILE 38 4.678 9.535 -18.018 297 HG13 ILE 38 1HG1 ILE 38 3.073 9.683 -17.311 298 HG21 ILE 38 1HG2 ILE 38 5.111 7.776 -19.829 299 HG22 ILE 38 2HG2 ILE 38 3.971 6.444 -20.023 300 HG23 ILE 38 3HG2 ILE 38 4.903 6.594 -18.533 301 HD11 ILE 38 1HD1 ILE 38 4.731 9.001 -15.676 302 HD12 ILE 38 2HD1 ILE 38 5.089 7.557 -16.619 303 HD13 ILE 38 3HD1 ILE 38 3.495 7.764 -15.888 304 H VAL 39 H VAL 39 0.577 7.147 -19.743 305 HA VAL 39 HA VAL 39 1.508 5.484 -21.862 306 HB VAL 39 HB VAL 39 0.391 4.473 -19.966 307 HG11 VAL 39 1HG1 VAL 39 -1.232 6.218 -19.375 308 HG12 VAL 39 2HG1 VAL 39 -2.022 4.648 -19.529 309 HG13 VAL 39 3HG1 VAL 39 -2.183 5.849 -20.814 310 HG21 VAL 39 1HG2 VAL 39 0.335 3.272 -22.099 311 HG22 VAL 39 2HG2 VAL 39 -1.189 4.051 -22.527 312 HG23 VAL 39 3HG2 VAL 39 -1.126 2.933 -21.165 313 H LYS 40 H LYS 40 1.563 6.500 -23.760 314 HA LYS 40 HA LYS 40 -0.980 6.731 -25.214 315 HB2 LYS 40 2HB LYS 40 -0.275 9.067 -24.742 316 HB3 LYS 40 1HB LYS 40 1.315 8.737 -25.425 317 HG2 LYS 40 2HG LYS 40 0.169 8.257 -27.642 318 HG3 LYS 40 1HG LYS 40 -1.341 8.804 -26.912 319 HD2 LYS 40 2HD LYS 40 -0.320 10.601 -28.243 320 HD3 LYS 40 1HD LYS 40 -0.358 11.043 -26.534 321 HE2 LYS 40 2HE LYS 40 2.029 10.476 -26.318 322 HE3 LYS 40 1HE LYS 40 2.069 9.949 -28.004 323 HZ1 LYS 40 1HZ LYS 40 2.943 12.210 -27.629 324 HZ2 LYS 40 2HZ LYS 40 1.398 12.705 -27.144 325 HZ3 LYS 40 3HZ LYS 40 1.654 12.160 -28.721 326 H LYS 41 H LYS 41 -0.760 4.945 -26.401 327 HA LYS 41 HA LYS 41 1.695 3.931 -27.457 328 HB2 LYS 41 2HB LYS 41 0.239 2.300 -28.650 329 HB3 LYS 41 1HB LYS 41 -0.101 2.392 -26.926 330 HG2 LYS 41 2HG LYS 41 -2.120 3.709 -27.351 331 HG3 LYS 41 1HG LYS 41 -1.754 3.765 -29.080 332 HD2 LYS 41 2HD LYS 41 -2.004 1.311 -29.223 333 HD3 LYS 41 1HD LYS 41 -2.338 1.227 -27.490 334 HE2 LYS 41 2HE LYS 41 -4.410 2.467 -27.792 335 HE3 LYS 41 1HE LYS 41 -4.048 2.739 -29.498 336 HZ1 LYS 41 1HZ LYS 41 -4.238 0.399 -29.908 337 HZ2 LYS 41 2HZ LYS 41 -5.641 0.928 -29.126 338 HZ3 LYS 41 3HZ LYS 41 -4.463 0.075 -28.265 339 H ARG 42 H ARG 42 -0.482 6.362 -28.554 340 HA ARG 42 HA ARG 42 -0.046 6.142 -31.394 341 HB2 ARG 42 2HB ARG 42 -1.144 8.448 -29.724 342 HB3 ARG 42 1HB ARG 42 -1.167 8.385 -31.488 343 HG2 ARG 42 2HG ARG 42 -2.641 6.414 -31.407 344 HG3 ARG 42 1HG ARG 42 -2.598 6.439 -29.642 345 HD2 ARG 42 2HD ARG 42 -3.709 8.626 -29.625 346 HD3 ARG 42 1HD ARG 42 -3.679 8.678 -31.390 347 HE ARG 42 HE ARG 42 -5.026 6.427 -30.996 348 HH11 ARG 42 1HH1 ARG 42 -5.488 9.575 -29.508 349 HH12 ARG 42 2HH1 ARG 42 -7.184 9.328 -29.248 350 HH21 ARG 42 1HH2 ARG 42 -7.257 6.138 -30.682 351 HH22 ARG 42 2HH2 ARG 42 -8.178 7.392 -29.916 352 H LEU 43 H LEU 43 2.206 6.033 -31.544 353 HA LEU 43 HA LEU 43 3.674 8.594 -31.238 354 HB2 LEU 43 2HB LEU 43 4.774 5.750 -31.036 355 HB3 LEU 43 1HB LEU 43 5.737 7.219 -30.954 356 HG LEU 43 HG LEU 43 3.636 6.368 -28.910 357 HD11 LEU 43 1HD1 LEU 43 5.521 5.993 -27.381 358 HD12 LEU 43 2HD1 LEU 43 6.663 6.379 -28.671 359 HD13 LEU 43 3HD1 LEU 43 5.634 4.950 -28.800 360 HD21 LEU 43 1HD2 LEU 43 3.763 8.818 -29.070 361 HD22 LEU 43 2HD2 LEU 43 5.514 8.763 -28.847 362 HD23 LEU 43 3HD2 LEU 43 4.437 8.255 -27.542 Start of MODEL 4 1 HA ARG 1 HA ARG 1 1.176 3.582 -1.744 2 HB2 ARG 1 2HB ARG 1 2.331 4.797 -4.290 3 HB3 ARG 1 1HB ARG 1 0.654 4.953 -3.766 4 HG2 ARG 1 2HG ARG 1 1.365 6.209 -1.782 5 HG3 ARG 1 1HG ARG 1 3.059 6.004 -2.236 6 HD2 ARG 1 2HD ARG 1 2.672 7.306 -4.286 7 HD3 ARG 1 1HD ARG 1 0.966 7.489 -3.852 8 HE ARG 1 HE ARG 1 2.799 8.444 -1.843 9 HH11 ARG 1 1HH1 ARG 1 1.036 9.348 -4.748 10 HH12 ARG 1 2HH1 ARG 1 1.097 11.042 -4.390 11 HH21 ARG 1 1HH2 ARG 1 2.899 10.679 -1.416 12 HH22 ARG 1 2HH2 ARG 1 2.143 11.796 -2.508 13 H LYS 2 H LYS 2 -0.070 1.842 -2.190 14 HA LYS 2 HA LYS 2 0.582 -0.187 -4.044 15 HB2 LYS 2 2HB LYS 2 -1.566 -1.204 -3.554 16 HB3 LYS 2 1HB LYS 2 -0.871 -0.609 -2.060 17 HG2 LYS 2 2HG LYS 2 -3.147 0.702 -3.597 18 HG3 LYS 2 1HG LYS 2 -3.323 -0.304 -2.160 19 HD2 LYS 2 2HD LYS 2 -2.043 1.377 -0.845 20 HD3 LYS 2 1HD LYS 2 -1.896 2.382 -2.287 21 HE2 LYS 2 2HE LYS 2 -4.481 1.644 -0.875 22 HE3 LYS 2 1HE LYS 2 -3.687 3.217 -0.841 23 HZ1 LYS 2 1HZ LYS 2 -4.042 3.375 -3.240 24 HZ2 LYS 2 2HZ LYS 2 -5.494 3.218 -2.394 25 HZ3 LYS 2 3HZ LYS 2 -4.859 1.894 -3.218 26 H TRP 3 H TRP 3 0.747 0.173 -6.148 27 HA TRP 3 HA TRP 3 -0.903 2.149 -7.537 28 HB2 TRP 3 2HB TRP 3 0.632 1.644 -9.472 29 HB3 TRP 3 1HB TRP 3 1.469 2.178 -8.025 30 HD1 TRP 3 HD1 TRP 3 0.798 -1.121 -9.990 31 HE1 TRP 3 HE1 TRP 3 2.750 -2.722 -9.539 32 HE3 TRP 3 HE3 TRP 3 3.368 1.648 -6.527 33 HZ2 TRP 3 HZ2 TRP 3 5.078 -2.808 -7.972 34 HZ3 TRP 3 HZ3 TRP 3 5.459 0.727 -5.603 35 HH2 TRP 3 HH2 TRP 3 6.294 -1.461 -6.312 36 H GLU 4 H GLU 4 -1.970 -0.520 -6.559 37 HA GLU 4 HA GLU 4 -2.916 -1.841 -8.968 38 HB2 GLU 4 2HB GLU 4 -3.789 -2.232 -6.073 39 HB3 GLU 4 1HB GLU 4 -4.119 -3.321 -7.422 40 HG2 GLU 4 2HG GLU 4 -1.673 -3.766 -7.623 41 HG3 GLU 4 1HG GLU 4 -1.390 -2.720 -6.232 42 H GLU 5 H GLU 5 -4.106 0.267 -6.397 43 HA GLU 5 HA GLU 5 -6.726 0.780 -7.181 44 HB2 GLU 5 2HB GLU 5 -5.772 1.630 -5.079 45 HB3 GLU 5 1HB GLU 5 -4.616 2.620 -5.955 46 HG2 GLU 5 2HG GLU 5 -6.493 3.996 -6.844 47 HG3 GLU 5 1HG GLU 5 -7.622 3.021 -5.897 48 H ILE 6 H ILE 6 -3.697 2.331 -8.159 49 HA ILE 6 HA ILE 6 -4.732 4.200 -9.992 50 HB ILE 6 HB ILE 6 -1.954 2.929 -9.868 51 HG12 ILE 6 2HG1 ILE 6 -2.952 5.575 -8.685 52 HG13 ILE 6 1HG1 ILE 6 -2.638 4.108 -7.769 53 HG21 ILE 6 1HG2 ILE 6 -1.173 4.951 -11.134 54 HG22 ILE 6 2HG2 ILE 6 -2.855 5.427 -11.373 55 HG23 ILE 6 3HG2 ILE 6 -2.253 3.924 -12.076 56 HD11 ILE 6 1HD1 ILE 6 -0.258 4.268 -8.334 57 HD12 ILE 6 2HD1 ILE 6 -0.852 5.704 -7.500 58 HD13 ILE 6 3HD1 ILE 6 -0.583 5.749 -9.242 59 H ALA 7 H ALA 7 -3.075 1.063 -10.600 60 HA ALA 7 HA ALA 7 -3.162 1.177 -13.398 61 HB1 ALA 7 1HB ALA 7 -2.409 -1.154 -13.369 62 HB2 ALA 7 2HB ALA 7 -2.839 -1.287 -11.661 63 HB3 ALA 7 3HB ALA 7 -1.545 -0.197 -12.162 64 H GLU 8 H GLU 8 -5.484 -0.187 -11.111 65 HA GLU 8 HA GLU 8 -6.949 -1.809 -12.931 66 HB2 GLU 8 2HB GLU 8 -7.059 -2.111 -10.484 67 HB3 GLU 8 1HB GLU 8 -7.842 -0.547 -10.308 68 HG2 GLU 8 2HG GLU 8 -9.830 -1.358 -11.488 69 HG3 GLU 8 1HG GLU 8 -9.042 -2.903 -11.813 70 H ARG 9 H ARG 9 -7.557 1.510 -11.677 71 HA ARG 9 HA ARG 9 -9.809 1.958 -13.437 72 HB2 ARG 9 2HB ARG 9 -9.570 3.162 -11.234 73 HB3 ARG 9 1HB ARG 9 -8.194 4.054 -11.886 74 HG2 ARG 9 2HG ARG 9 -9.711 4.956 -13.676 75 HG3 ARG 9 1HG ARG 9 -11.064 4.158 -12.885 76 HD2 ARG 9 2HD ARG 9 -10.754 5.563 -10.900 77 HD3 ARG 9 1HD ARG 9 -9.344 6.334 -11.646 78 HE ARG 9 HE ARG 9 -11.931 6.451 -13.047 79 HH11 ARG 9 1HH1 ARG 9 -9.505 8.187 -11.207 80 HH12 ARG 9 2HH1 ARG 9 -10.084 9.744 -11.678 81 HH21 ARG 9 1HH2 ARG 9 -12.666 8.528 -13.667 82 HH22 ARG 9 2HH2 ARG 9 -11.870 9.948 -13.073 83 H LEU 10 H LEU 10 -6.367 2.335 -13.655 84 HA LEU 10 HA LEU 10 -6.142 4.402 -15.582 85 HB2 LEU 10 2HB LEU 10 -4.328 3.647 -14.045 86 HB3 LEU 10 1HB LEU 10 -4.219 2.135 -14.924 87 HG LEU 10 HG LEU 10 -3.393 3.342 -16.924 88 HD11 LEU 10 1HD1 LEU 10 -4.535 5.478 -16.647 89 HD12 LEU 10 2HD1 LEU 10 -2.799 5.737 -16.792 90 HD13 LEU 10 3HD1 LEU 10 -3.576 5.843 -15.210 91 HD21 LEU 10 1HD2 LEU 10 -1.761 2.487 -15.288 92 HD22 LEU 10 2HD2 LEU 10 -1.827 4.009 -14.396 93 HD23 LEU 10 3HD2 LEU 10 -1.179 3.972 -16.038 94 H ARG 11 H ARG 11 -6.126 0.845 -15.865 95 HA ARG 11 HA ARG 11 -5.886 0.844 -18.740 96 HB2 ARG 11 2HB ARG 11 -6.079 -1.628 -18.575 97 HB3 ARG 11 1HB ARG 11 -4.864 -0.975 -17.494 98 HG2 ARG 11 2HG ARG 11 -5.865 -2.571 -16.136 99 HG3 ARG 11 1HG ARG 11 -6.743 -1.117 -15.671 100 HD2 ARG 11 2HD ARG 11 -8.560 -1.812 -17.303 101 HD3 ARG 11 1HD ARG 11 -7.700 -3.341 -17.502 102 HE ARG 11 HE ARG 11 -7.977 -3.484 -14.942 103 HH11 ARG 11 1HH1 ARG 11 -10.368 -2.113 -17.106 104 HH12 ARG 11 2HH1 ARG 11 -11.711 -2.445 -16.063 105 HH21 ARG 11 1HH2 ARG 11 -9.754 -3.947 -13.559 106 HH22 ARG 11 2HH2 ARG 11 -11.360 -3.490 -14.039 107 H GLU 12 H GLU 12 -8.484 1.417 -16.703 108 HA GLU 12 HA GLU 12 -10.529 0.335 -18.506 109 HB2 GLU 12 2HB GLU 12 -10.782 0.015 -16.040 110 HB3 GLU 12 1HB GLU 12 -10.832 1.761 -15.831 111 HG2 GLU 12 2HG GLU 12 -13.078 0.783 -15.723 112 HG3 GLU 12 1HG GLU 12 -12.928 1.895 -17.080 113 H GLU 13 H GLU 13 -9.814 3.523 -16.980 114 HA GLU 13 HA GLU 13 -11.456 5.147 -18.529 115 HB2 GLU 13 2HB GLU 13 -8.752 5.835 -17.277 116 HB3 GLU 13 1HB GLU 13 -9.916 7.015 -17.859 117 HG2 GLU 13 2HG GLU 13 -10.398 5.071 -15.588 118 HG3 GLU 13 1HG GLU 13 -9.945 6.759 -15.396 119 H PHE 14 H PHE 14 -7.984 4.507 -18.925 120 HA PHE 14 HA PHE 14 -8.064 5.221 -21.792 121 HB2 PHE 14 2HB PHE 14 -5.666 4.477 -20.034 122 HB3 PHE 14 1HB PHE 14 -5.608 5.135 -21.673 123 HD1 PHE 14 HD1 PHE 14 -6.153 5.925 -18.108 124 HD2 PHE 14 HD2 PHE 14 -6.099 7.522 -22.081 125 HE1 PHE 14 HE1 PHE 14 -6.119 8.207 -17.198 126 HE2 PHE 14 HE2 PHE 14 -6.053 9.796 -21.158 127 HZ PHE 14 HZ PHE 14 -6.064 10.142 -18.722 128 H ASN 15 H ASN 15 -8.838 3.500 -22.949 129 HA ASN 15 HA ASN 15 -8.562 0.784 -22.113 130 HB2 ASN 15 2HB ASN 15 -9.587 0.213 -24.304 131 HB3 ASN 15 1HB ASN 15 -10.495 1.425 -23.416 132 HD21 ASN 15 1HD2 ASN 15 -8.614 0.773 -26.245 133 HD22 ASN 15 2HD2 ASN 15 -8.962 2.246 -27.070 134 H ILE 16 H ILE 16 -6.423 0.480 -21.780 135 HA ILE 16 HA ILE 16 -4.533 0.449 -24.068 136 HB ILE 16 HB ILE 16 -2.737 0.864 -22.372 137 HG12 ILE 16 2HG1 ILE 16 -5.072 1.078 -20.407 138 HG13 ILE 16 1HG1 ILE 16 -3.770 -0.102 -20.364 139 HG21 ILE 16 1HG2 ILE 16 -3.188 3.250 -21.933 140 HG22 ILE 16 2HG2 ILE 16 -4.897 3.007 -22.297 141 HG23 ILE 16 3HG2 ILE 16 -3.690 2.805 -23.567 142 HD11 ILE 16 1HD1 ILE 16 -3.528 2.852 -19.839 143 HD12 ILE 16 2HD1 ILE 16 -2.188 1.704 -19.845 144 HD13 ILE 16 3HD1 ILE 16 -3.477 1.550 -18.651 145 H ASN 17 H ASN 17 -2.577 -1.032 -23.333 146 HA ASN 17 HA ASN 17 -3.591 -3.677 -22.718 147 HB2 ASN 17 2HB ASN 17 -0.704 -2.764 -23.141 148 HB3 ASN 17 1HB ASN 17 -1.274 -4.432 -23.100 149 HD21 ASN 17 1HD2 ASN 17 -0.861 -5.101 -25.145 150 HD22 ASN 17 2HD2 ASN 17 -1.448 -4.343 -26.583 151 HA PRO 18 HA PRO 18 -2.614 -3.793 -18.231 152 HB2 PRO 18 2HB PRO 18 -1.271 -6.377 -19.099 153 HB3 PRO 18 1HB PRO 18 -2.270 -6.065 -17.665 154 HG2 PRO 18 2HG PRO 18 -3.348 -7.280 -19.778 155 HG3 PRO 18 1HG PRO 18 -4.276 -6.032 -18.917 156 HD2 PRO 18 2HD PRO 18 -2.858 -5.862 -21.565 157 HD3 PRO 18 1HD PRO 18 -4.360 -5.068 -21.039 158 H GLU 19 H GLU 19 -0.104 -4.766 -20.597 159 HA GLU 19 HA GLU 19 2.215 -4.215 -19.127 160 HB2 GLU 19 2HB GLU 19 1.698 -4.073 -22.120 161 HB3 GLU 19 1HB GLU 19 3.309 -3.907 -21.424 162 HG2 GLU 19 2HG GLU 19 3.220 -6.169 -20.528 163 HG3 GLU 19 1HG GLU 19 1.542 -6.345 -21.033 164 H GLU 20 H GLU 20 0.215 -2.002 -21.052 165 HA GLU 20 HA GLU 20 1.903 0.280 -20.928 166 HB2 GLU 20 2HB GLU 20 -1.124 0.138 -21.285 167 HB3 GLU 20 1HB GLU 20 -0.150 1.578 -21.546 168 HG2 GLU 20 2HG GLU 20 0.064 -1.000 -23.134 169 HG3 GLU 20 1HG GLU 20 -0.774 0.460 -23.657 170 H ALA 21 H ALA 21 -0.868 -0.777 -18.946 171 HA ALA 21 HA ALA 21 -0.942 1.409 -17.155 172 HB1 ALA 21 1HB ALA 21 -2.377 -0.025 -15.753 173 HB2 ALA 21 2HB ALA 21 -1.920 -1.436 -16.712 174 HB3 ALA 21 3HB ALA 21 -2.839 -0.125 -17.454 175 H ARG 22 H ARG 22 0.850 -1.614 -17.107 176 HA ARG 22 HA ARG 22 1.744 -1.562 -14.398 177 HB2 ARG 22 2HB ARG 22 2.703 -3.097 -16.854 178 HB3 ARG 22 1HB ARG 22 3.428 -3.314 -15.265 179 HG2 ARG 22 2HG ARG 22 1.364 -4.183 -14.359 180 HG3 ARG 22 1HG ARG 22 0.487 -3.792 -15.839 181 HD2 ARG 22 2HD ARG 22 1.030 -6.215 -15.687 182 HD3 ARG 22 1HD ARG 22 1.782 -5.451 -17.088 183 HE ARG 22 HE ARG 22 3.891 -5.599 -16.049 184 HH11 ARG 22 1HH1 ARG 22 1.409 -7.102 -14.064 185 HH12 ARG 22 2HH1 ARG 22 2.557 -7.998 -13.116 186 HH21 ARG 22 1HH2 ARG 22 5.365 -6.758 -14.780 187 HH22 ARG 22 2HH2 ARG 22 4.788 -7.800 -13.514 188 H GLU 23 H GLU 23 3.405 -0.833 -17.501 189 HA GLU 23 HA GLU 23 5.869 -0.163 -16.215 190 HB2 GLU 23 2HB GLU 23 5.765 -1.031 -18.570 191 HB3 GLU 23 1HB GLU 23 5.053 0.501 -19.079 192 HG2 GLU 23 2HG GLU 23 7.099 1.690 -18.292 193 HG3 GLU 23 1HG GLU 23 7.821 0.146 -17.845 194 H ALA 24 H ALA 24 3.178 1.748 -17.537 195 HA ALA 24 HA ALA 24 4.424 4.263 -17.552 196 HB1 ALA 24 1HB ALA 24 2.358 3.800 -18.788 197 HB2 ALA 24 2HB ALA 24 2.185 5.226 -17.765 198 HB3 ALA 24 3HB ALA 24 1.463 3.691 -17.274 199 H VAL 25 H VAL 25 2.579 2.645 -14.976 200 HA VAL 25 HA VAL 25 2.649 4.931 -13.219 201 HB VAL 25 HB VAL 25 0.857 3.170 -13.082 202 HG11 VAL 25 1HG1 VAL 25 2.985 1.442 -11.766 203 HG12 VAL 25 2HG1 VAL 25 2.206 1.139 -13.319 204 HG13 VAL 25 3HG1 VAL 25 1.255 1.083 -11.834 205 HG21 VAL 25 1HG2 VAL 25 2.371 3.723 -10.492 206 HG22 VAL 25 2HG2 VAL 25 0.679 3.228 -10.607 207 HG23 VAL 25 3HG2 VAL 25 1.185 4.785 -11.260 208 H GLU 26 H GLU 26 4.755 2.177 -13.821 209 HA GLU 26 HA GLU 26 6.434 2.518 -11.523 210 HB2 GLU 26 2HB GLU 26 6.335 0.417 -12.909 211 HB3 GLU 26 1HB GLU 26 7.167 1.268 -14.206 212 HG2 GLU 26 2HG GLU 26 9.131 1.595 -12.746 213 HG3 GLU 26 1HG GLU 26 8.311 0.766 -11.426 214 H LYS 27 H LYS 27 6.464 3.793 -14.829 215 HA LYS 27 HA LYS 27 8.871 5.318 -14.673 216 HB2 LYS 27 2HB LYS 27 6.425 5.808 -16.443 217 HB3 LYS 27 1HB LYS 27 8.023 6.491 -16.695 218 HG2 LYS 27 2HG LYS 27 7.288 3.556 -16.906 219 HG3 LYS 27 1HG LYS 27 7.551 4.654 -18.258 220 HD2 LYS 27 2HD LYS 27 9.661 3.874 -16.214 221 HD3 LYS 27 1HD LYS 27 9.481 3.138 -17.805 222 HE2 LYS 27 2HE LYS 27 9.939 5.331 -18.861 223 HE3 LYS 27 1HE LYS 27 10.140 6.053 -17.262 224 HZ1 LYS 27 1HZ LYS 27 11.997 4.571 -16.861 225 HZ2 LYS 27 2HZ LYS 27 12.264 5.487 -18.250 226 HZ3 LYS 27 3HZ LYS 27 11.810 3.867 -18.386 227 H ALA 28 H ALA 28 5.510 5.889 -13.847 228 HA ALA 28 HA ALA 28 5.698 8.683 -13.230 229 HB1 ALA 28 1HB ALA 28 3.609 6.634 -12.421 230 HB2 ALA 28 2HB ALA 28 3.577 7.622 -13.882 231 HB3 ALA 28 3HB ALA 28 3.441 8.389 -12.298 232 H GLY 29 H GLY 29 6.399 5.753 -11.538 233 HA2 GLY 29 2HA GLY 29 7.460 5.363 -9.555 234 HA3 GLY 29 1HA GLY 29 7.501 7.095 -9.240 235 H GLY 30 H GLY 30 5.519 8.098 -8.416 236 HA2 GLY 30 2HA GLY 30 3.539 6.307 -7.133 237 HA3 GLY 30 1HA GLY 30 4.481 7.407 -6.132 238 H ASN 31 H ASN 31 3.781 8.606 -9.264 239 HA ASN 31 HA ASN 31 1.616 10.333 -8.200 240 HB2 ASN 31 2HB ASN 31 3.675 11.467 -9.081 241 HB3 ASN 31 1HB ASN 31 3.387 10.752 -10.660 242 HD21 ASN 31 1HD2 ASN 31 3.588 13.556 -10.041 243 HD22 ASN 31 2HD2 ASN 31 2.085 14.289 -10.467 244 H GLU 32 H GLU 32 -0.354 9.596 -8.716 245 HA GLU 32 HA GLU 32 -0.946 7.632 -10.645 246 HB2 GLU 32 2HB GLU 32 -2.358 8.056 -8.642 247 HB3 GLU 32 1HB GLU 32 -2.844 9.616 -9.304 248 HG2 GLU 32 2HG GLU 32 -3.860 8.420 -11.254 249 HG3 GLU 32 1HG GLU 32 -3.463 6.885 -10.490 250 H GLU 33 H GLU 33 -1.415 11.178 -10.698 251 HA GLU 33 HA GLU 33 -2.779 11.346 -13.168 252 HB2 GLU 33 2HB GLU 33 -2.787 13.166 -11.468 253 HB3 GLU 33 1HB GLU 33 -1.087 13.478 -11.803 254 HG2 GLU 33 2HG GLU 33 -1.653 14.129 -14.125 255 HG3 GLU 33 1HG GLU 33 -3.356 13.810 -13.808 256 H GLU 34 H GLU 34 0.651 11.357 -12.373 257 HA GLU 34 HA GLU 34 1.710 12.054 -14.893 258 HB2 GLU 34 2HB GLU 34 3.029 12.029 -12.775 259 HB3 GLU 34 1HB GLU 34 2.940 10.276 -12.739 260 HG2 GLU 34 2HG GLU 34 5.121 10.992 -13.533 261 HG3 GLU 34 1HG GLU 34 4.254 10.161 -14.825 262 H ALA 35 H ALA 35 0.950 8.877 -13.429 263 HA ALA 35 HA ALA 35 1.639 7.193 -15.582 264 HB1 ALA 35 1HB ALA 35 0.168 5.523 -14.521 265 HB2 ALA 35 2HB ALA 35 -0.547 6.779 -13.506 266 HB3 ALA 35 3HB ALA 35 1.154 6.347 -13.313 267 H ARG 36 H ARG 36 -1.275 9.043 -14.883 268 HA ARG 36 HA ARG 36 -2.963 7.916 -16.903 269 HB2 ARG 36 2HB ARG 36 -3.227 10.457 -15.241 270 HB3 ARG 36 1HB ARG 36 -4.491 9.843 -16.307 271 HG2 ARG 36 2HG ARG 36 -4.810 7.882 -14.960 272 HG3 ARG 36 1HG ARG 36 -3.349 8.199 -14.028 273 HD2 ARG 36 2HD ARG 36 -5.234 8.754 -12.653 274 HD3 ARG 36 1HD ARG 36 -4.445 10.261 -13.114 275 HE ARG 36 HE ARG 36 -6.397 9.979 -14.983 276 HH11 ARG 36 1HH1 ARG 36 -6.454 9.929 -11.455 277 HH12 ARG 36 2HH1 ARG 36 -8.051 10.600 -11.359 278 HH21 ARG 36 1HH2 ARG 36 -8.497 10.831 -14.819 279 HH22 ARG 36 2HH2 ARG 36 -9.206 11.107 -13.263 280 H ARG 37 H ARG 37 -0.378 10.111 -17.179 281 HA ARG 37 HA ARG 37 -1.371 11.001 -19.835 282 HB2 ARG 37 2HB ARG 37 0.098 12.993 -19.639 283 HB3 ARG 37 1HB ARG 37 -1.156 12.945 -18.406 284 HG2 ARG 37 2HG ARG 37 0.540 12.080 -16.781 285 HG3 ARG 37 1HG ARG 37 1.776 12.276 -18.026 286 HD2 ARG 37 2HD ARG 37 1.432 14.677 -18.071 287 HD3 ARG 37 1HD ARG 37 0.044 14.547 -16.986 288 HE ARG 37 HE ARG 37 2.828 13.901 -16.206 289 HH11 ARG 37 1HH1 ARG 37 -0.306 15.272 -15.391 290 HH12 ARG 37 2HH1 ARG 37 0.179 15.738 -13.793 291 HH21 ARG 37 1HH2 ARG 37 3.431 14.531 -14.102 292 HH22 ARG 37 2HH2 ARG 37 2.289 15.329 -13.067 293 H ILE 38 H ILE 38 1.051 9.139 -18.238 294 HA ILE 38 HA ILE 38 2.888 9.116 -20.494 295 HB ILE 38 HB ILE 38 2.685 7.228 -18.096 296 HG12 ILE 38 2HG1 ILE 38 4.685 9.489 -18.647 297 HG13 ILE 38 1HG1 ILE 38 3.305 9.609 -17.562 298 HG21 ILE 38 1HG2 ILE 38 4.919 7.414 -20.174 299 HG22 ILE 38 2HG2 ILE 38 3.787 6.075 -19.985 300 HG23 ILE 38 3HG2 ILE 38 4.958 6.418 -18.714 301 HD11 ILE 38 1HD1 ILE 38 4.285 7.860 -16.140 302 HD12 ILE 38 2HD1 ILE 38 5.340 9.260 -16.324 303 HD13 ILE 38 3HD1 ILE 38 5.681 7.782 -17.220 304 H VAL 39 H VAL 39 0.166 7.157 -19.323 305 HA VAL 39 HA VAL 39 0.321 5.059 -21.225 306 HB VAL 39 HB VAL 39 -2.074 4.587 -20.710 307 HG11 VAL 39 1HG1 VAL 39 -1.786 4.044 -18.330 308 HG12 VAL 39 2HG1 VAL 39 -0.386 5.114 -18.242 309 HG13 VAL 39 3HG1 VAL 39 -0.331 3.670 -19.256 310 HG21 VAL 39 1HG2 VAL 39 -1.958 7.109 -19.001 311 HG22 VAL 39 2HG2 VAL 39 -3.290 5.950 -19.034 312 HG23 VAL 39 3HG2 VAL 39 -2.909 6.892 -20.473 313 H LYS 40 H LYS 40 -1.067 4.654 -23.005 314 HA LYS 40 HA LYS 40 -2.334 6.860 -24.413 315 HB2 LYS 40 2HB LYS 40 -0.882 6.403 -26.478 316 HB3 LYS 40 1HB LYS 40 -0.095 7.263 -25.161 317 HG2 LYS 40 2HG LYS 40 1.028 5.186 -24.444 318 HG3 LYS 40 1HG LYS 40 0.220 4.294 -25.736 319 HD2 LYS 40 2HD LYS 40 1.381 5.700 -27.420 320 HD3 LYS 40 1HD LYS 40 2.197 6.578 -26.123 321 HE2 LYS 40 2HE LYS 40 3.633 4.840 -27.169 322 HE3 LYS 40 1HE LYS 40 3.374 4.559 -25.445 323 HZ1 LYS 40 1HZ LYS 40 1.801 3.223 -27.574 324 HZ2 LYS 40 2HZ LYS 40 1.819 2.854 -25.922 325 HZ3 LYS 40 3HZ LYS 40 3.188 2.556 -26.870 326 H LYS 41 H LYS 41 -4.179 6.020 -25.141 327 HA LYS 41 HA LYS 41 -4.768 3.255 -25.369 328 HB2 LYS 41 2HB LYS 41 -6.872 4.073 -26.568 329 HB3 LYS 41 1HB LYS 41 -6.605 4.739 -24.964 330 HG2 LYS 41 2HG LYS 41 -5.751 6.831 -25.964 331 HG3 LYS 41 1HG LYS 41 -6.011 6.177 -27.576 332 HD2 LYS 41 2HD LYS 41 -8.266 6.563 -25.571 333 HD3 LYS 41 1HD LYS 41 -7.765 7.821 -26.696 334 HE2 LYS 41 2HE LYS 41 -9.651 6.766 -27.691 335 HE3 LYS 41 1HE LYS 41 -8.253 6.171 -28.582 336 HZ1 LYS 41 1HZ LYS 41 -9.701 4.715 -26.437 337 HZ2 LYS 41 2HZ LYS 41 -8.367 4.128 -27.291 338 HZ3 LYS 41 3HZ LYS 41 -9.822 4.418 -28.094 339 H ARG 42 H ARG 42 -3.778 1.946 -26.780 340 HA ARG 42 HA ARG 42 -2.341 2.799 -29.072 341 HB2 ARG 42 2HB ARG 42 -1.981 0.705 -27.565 342 HB3 ARG 42 1HB ARG 42 -3.195 -0.089 -28.554 343 HG2 ARG 42 2HG ARG 42 -0.721 1.147 -29.796 344 HG3 ARG 42 1HG ARG 42 -0.675 -0.463 -29.089 345 HD2 ARG 42 2HD ARG 42 -2.472 0.408 -31.378 346 HD3 ARG 42 1HD ARG 42 -0.990 -0.541 -31.526 347 HE ARG 42 HE ARG 42 -2.494 -1.972 -29.773 348 HH11 ARG 42 1HH1 ARG 42 -3.155 -0.780 -33.003 349 HH12 ARG 42 2HH1 ARG 42 -4.171 -2.121 -33.419 350 HH21 ARG 42 1HH2 ARG 42 -3.827 -3.705 -30.318 351 HH22 ARG 42 2HH2 ARG 42 -4.542 -3.783 -31.894 352 H LEU 43 H LEU 43 -5.547 1.510 -28.625 353 HA LEU 43 HA LEU 43 -6.262 2.146 -31.420 354 HB2 LEU 43 2HB LEU 43 -7.904 0.194 -31.308 355 HB3 LEU 43 1HB LEU 43 -6.208 -0.218 -31.423 356 HG LEU 43 HG LEU 43 -6.292 -0.561 -28.836 357 HD11 LEU 43 1HD1 LEU 43 -8.461 -1.247 -27.900 358 HD12 LEU 43 2HD1 LEU 43 -9.271 -0.714 -29.376 359 HD13 LEU 43 3HD1 LEU 43 -8.443 0.456 -28.349 360 HD21 LEU 43 1HD2 LEU 43 -6.003 -2.397 -30.420 361 HD22 LEU 43 2HD2 LEU 43 -7.750 -2.512 -30.646 362 HD23 LEU 43 3HD2 LEU 43 -7.032 -2.887 -29.076 Start of MODEL 5 1 HA ARG 1 HA ARG 1 -0.089 2.875 -1.876 2 HB2 ARG 1 2HB ARG 1 2.808 1.948 -1.646 3 HB3 ARG 1 1HB ARG 1 2.192 3.105 -2.823 4 HG2 ARG 1 2HG ARG 1 1.734 4.732 -1.077 5 HG3 ARG 1 1HG ARG 1 2.135 3.561 0.181 6 HD2 ARG 1 2HD ARG 1 4.073 4.713 -1.862 7 HD3 ARG 1 1HD ARG 1 3.964 5.180 -0.160 8 HE ARG 1 HE ARG 1 4.687 2.444 -1.042 9 HH11 ARG 1 1HH1 ARG 1 5.358 5.206 1.050 10 HH12 ARG 1 2HH1 ARG 1 6.657 4.398 1.863 11 HH21 ARG 1 1HH2 ARG 1 6.378 1.435 0.050 12 HH22 ARG 1 2HH2 ARG 1 7.232 2.283 1.303 13 H LYS 2 H LYS 2 -1.393 1.580 -3.122 14 HA LYS 2 HA LYS 2 -0.321 -0.911 -4.294 15 HB2 LYS 2 2HB LYS 2 -3.155 0.224 -4.368 16 HB3 LYS 2 1HB LYS 2 -2.650 -1.203 -5.257 17 HG2 LYS 2 2HG LYS 2 -3.739 -2.076 -3.395 18 HG3 LYS 2 1HG LYS 2 -2.033 -2.208 -2.958 19 HD2 LYS 2 2HD LYS 2 -2.232 -0.165 -1.576 20 HD3 LYS 2 1HD LYS 2 -3.926 -0.003 -2.056 21 HE2 LYS 2 2HE LYS 2 -4.393 -2.219 -0.982 22 HE3 LYS 2 1HE LYS 2 -2.718 -2.260 -0.422 23 HZ1 LYS 2 1HZ LYS 2 -4.770 -0.244 0.298 24 HZ2 LYS 2 2HZ LYS 2 -3.152 -0.193 0.789 25 HZ3 LYS 2 3HZ LYS 2 -4.153 -1.455 1.305 26 H TRP 3 H TRP 3 0.421 -0.918 -6.313 27 HA TRP 3 HA TRP 3 0.049 1.394 -8.103 28 HB2 TRP 3 2HB TRP 3 1.846 -1.054 -8.432 29 HB3 TRP 3 1HB TRP 3 1.937 0.453 -9.339 30 HD1 TRP 3 HD1 TRP 3 3.061 2.577 -8.067 31 HE1 TRP 3 HE1 TRP 3 4.605 2.733 -6.021 32 HE3 TRP 3 HE3 TRP 3 2.380 -2.123 -6.156 33 HZ2 TRP 3 HZ2 TRP 3 5.418 1.108 -3.874 34 HZ3 TRP 3 HZ3 TRP 3 3.577 -2.744 -4.093 35 HH2 TRP 3 HH2 TRP 3 5.067 -1.156 -2.977 36 H GLU 4 H GLU 4 -1.987 -0.731 -7.438 37 HA GLU 4 HA GLU 4 -2.593 -1.841 -10.103 38 HB2 GLU 4 2HB GLU 4 -2.454 -3.508 -8.243 39 HB3 GLU 4 1HB GLU 4 -3.712 -2.641 -7.364 40 HG2 GLU 4 2HG GLU 4 -5.304 -3.112 -9.215 41 HG3 GLU 4 1HG GLU 4 -4.045 -4.006 -10.065 42 H GLU 5 H GLU 5 -3.908 -0.017 -7.333 43 HA GLU 5 HA GLU 5 -6.483 0.629 -8.189 44 HB2 GLU 5 2HB GLU 5 -4.548 2.441 -6.675 45 HB3 GLU 5 1HB GLU 5 -6.303 2.617 -6.715 46 HG2 GLU 5 2HG GLU 5 -4.774 0.292 -5.518 47 HG3 GLU 5 1HG GLU 5 -5.507 1.615 -4.617 48 H ILE 6 H ILE 6 -3.407 2.059 -8.935 49 HA ILE 6 HA ILE 6 -4.100 4.264 -10.495 50 HB ILE 6 HB ILE 6 -1.684 2.415 -10.837 51 HG12 ILE 6 2HG1 ILE 6 -2.114 4.791 -8.971 52 HG13 ILE 6 1HG1 ILE 6 -1.887 3.118 -8.499 53 HG21 ILE 6 1HG2 ILE 6 -2.021 5.336 -11.627 54 HG22 ILE 6 2HG2 ILE 6 -1.924 3.963 -12.730 55 HG23 ILE 6 3HG2 ILE 6 -0.525 4.407 -11.754 56 HD11 ILE 6 1HD1 ILE 6 0.420 3.217 -9.275 57 HD12 ILE 6 2HD1 ILE 6 0.076 4.448 -8.063 58 HD13 ILE 6 3HD1 ILE 6 0.188 4.899 -9.763 59 H ALA 7 H ALA 7 -3.154 0.980 -11.560 60 HA ALA 7 HA ALA 7 -3.696 1.323 -14.327 61 HB1 ALA 7 1HB ALA 7 -3.240 -1.104 -14.472 62 HB2 ALA 7 2HB ALA 7 -3.330 -1.228 -12.712 63 HB3 ALA 7 3HB ALA 7 -2.043 -0.287 -13.467 64 H GLU 8 H GLU 8 -5.746 0.538 -11.673 65 HA GLU 8 HA GLU 8 -7.650 -1.168 -12.949 66 HB2 GLU 8 2HB GLU 8 -7.128 -0.841 -10.393 67 HB3 GLU 8 1HB GLU 8 -8.221 0.527 -10.484 68 HG2 GLU 8 2HG GLU 8 -9.473 -1.321 -9.657 69 HG3 GLU 8 1HG GLU 8 -10.007 -1.053 -11.319 70 H ARG 9 H ARG 9 -7.854 2.189 -11.785 71 HA ARG 9 HA ARG 9 -10.337 2.832 -13.051 72 HB2 ARG 9 2HB ARG 9 -8.256 4.803 -12.009 73 HB3 ARG 9 1HB ARG 9 -9.981 5.088 -12.229 74 HG2 ARG 9 2HG ARG 9 -10.402 3.359 -10.428 75 HG3 ARG 9 1HG ARG 9 -8.658 3.319 -10.153 76 HD2 ARG 9 2HD ARG 9 -10.536 5.673 -9.765 77 HD3 ARG 9 1HD ARG 9 -9.635 4.803 -8.520 78 HE ARG 9 HE ARG 9 -8.603 6.777 -10.418 79 HH11 ARG 9 1HH1 ARG 9 -7.793 4.501 -7.861 80 HH12 ARG 9 2HH1 ARG 9 -6.286 5.287 -7.499 81 HH21 ARG 9 1HH2 ARG 9 -6.656 7.796 -9.895 82 HH22 ARG 9 2HH2 ARG 9 -5.666 7.146 -8.628 83 H LEU 10 H LEU 10 -6.954 3.283 -13.809 84 HA LEU 10 HA LEU 10 -6.993 5.075 -15.940 85 HB2 LEU 10 2HB LEU 10 -5.026 4.214 -14.639 86 HB3 LEU 10 1HB LEU 10 -5.147 2.690 -15.485 87 HG LEU 10 HG LEU 10 -4.523 5.319 -16.894 88 HD11 LEU 10 1HD1 LEU 10 -2.525 3.287 -15.824 89 HD12 LEU 10 2HD1 LEU 10 -2.804 4.904 -15.175 90 HD13 LEU 10 3HD1 LEU 10 -2.144 4.715 -16.795 91 HD21 LEU 10 1HD2 LEU 10 -3.571 3.862 -18.656 92 HD22 LEU 10 2HD2 LEU 10 -5.287 3.565 -18.419 93 HD23 LEU 10 3HD2 LEU 10 -4.101 2.435 -17.763 94 H ARG 11 H ARG 11 -7.307 1.539 -15.926 95 HA ARG 11 HA ARG 11 -7.400 1.188 -18.762 96 HB2 ARG 11 2HB ARG 11 -6.658 -0.505 -17.008 97 HB3 ARG 11 1HB ARG 11 -8.356 -0.748 -16.622 98 HG2 ARG 11 2HG ARG 11 -8.735 -1.525 -18.963 99 HG3 ARG 11 1HG ARG 11 -7.007 -1.335 -19.281 100 HD2 ARG 11 2HD ARG 11 -7.495 -3.671 -18.801 101 HD3 ARG 11 1HD ARG 11 -6.518 -3.003 -17.492 102 HE ARG 11 HE ARG 11 -9.364 -3.746 -17.392 103 HH11 ARG 11 1HH1 ARG 11 -6.592 -2.539 -15.569 104 HH12 ARG 11 2HH1 ARG 11 -7.273 -2.965 -14.035 105 HH21 ARG 11 1HH2 ARG 11 -10.229 -4.279 -15.379 106 HH22 ARG 11 2HH2 ARG 11 -9.340 -3.931 -13.930 107 H GLU 12 H GLU 12 -9.805 1.863 -16.330 108 HA GLU 12 HA GLU 12 -12.132 1.287 -17.912 109 HB2 GLU 12 2HB GLU 12 -11.764 3.032 -15.441 110 HB3 GLU 12 1HB GLU 12 -13.330 2.648 -16.159 111 HG2 GLU 12 2HG GLU 12 -11.379 0.648 -14.960 112 HG3 GLU 12 1HG GLU 12 -12.853 1.248 -14.198 113 H GLU 13 H GLU 13 -10.048 4.102 -17.461 114 HA GLU 13 HA GLU 13 -11.756 5.978 -18.833 115 HB2 GLU 13 2HB GLU 13 -8.816 6.144 -18.046 116 HB3 GLU 13 1HB GLU 13 -9.773 7.488 -18.661 117 HG2 GLU 13 2HG GLU 13 -11.286 7.256 -16.684 118 HG3 GLU 13 1HG GLU 13 -10.224 5.993 -16.067 119 H PHE 14 H PHE 14 -8.805 4.188 -19.614 120 HA PHE 14 HA PHE 14 -9.397 4.196 -22.462 121 HB2 PHE 14 2HB PHE 14 -7.958 6.269 -21.964 122 HB3 PHE 14 1HB PHE 14 -6.669 5.176 -21.480 123 HD1 PHE 14 HD1 PHE 14 -8.780 6.241 -24.364 124 HD2 PHE 14 HD2 PHE 14 -5.278 4.119 -23.142 125 HE1 PHE 14 HE1 PHE 14 -8.042 6.098 -26.706 126 HE2 PHE 14 HE2 PHE 14 -4.547 3.984 -25.486 127 HZ PHE 14 HZ PHE 14 -5.927 4.972 -27.271 128 H ASN 15 H ASN 15 -9.434 2.056 -22.734 129 HA ASN 15 HA ASN 15 -8.188 0.212 -20.966 130 HB2 ASN 15 2HB ASN 15 -10.395 -0.217 -22.022 131 HB3 ASN 15 1HB ASN 15 -9.625 -0.311 -23.605 132 HD21 ASN 15 1HD2 ASN 15 -10.068 -1.923 -20.522 133 HD22 ASN 15 2HD2 ASN 15 -9.505 -3.477 -21.033 134 H ILE 16 H ILE 16 -5.969 0.597 -21.112 135 HA ILE 16 HA ILE 16 -4.612 -0.502 -23.502 136 HB ILE 16 HB ILE 16 -2.491 0.266 -22.491 137 HG12 ILE 16 2HG1 ILE 16 -4.191 1.450 -20.235 138 HG13 ILE 16 1HG1 ILE 16 -3.102 0.074 -20.079 139 HG21 ILE 16 1HG2 ILE 16 -4.553 2.494 -22.632 140 HG22 ILE 16 2HG2 ILE 16 -3.678 1.793 -23.997 141 HG23 ILE 16 3HG2 ILE 16 -2.803 2.691 -22.758 142 HD11 ILE 16 1HD1 ILE 16 -2.289 2.915 -20.716 143 HD12 ILE 16 2HD1 ILE 16 -1.193 1.537 -20.581 144 HD13 ILE 16 3HD1 ILE 16 -2.101 2.080 -19.175 145 H ASN 17 H ASN 17 -2.704 -1.967 -22.918 146 HA ASN 17 HA ASN 17 -3.636 -4.209 -21.367 147 HB2 ASN 17 2HB ASN 17 -1.000 -3.728 -22.822 148 HB3 ASN 17 1HB ASN 17 -1.479 -5.264 -22.099 149 HD21 ASN 17 1HD2 ASN 17 -0.832 -4.833 -24.850 150 HD22 ASN 17 2HD2 ASN 17 -2.234 -5.180 -25.790 151 HA PRO 18 HA PRO 18 -1.761 -3.468 -17.363 152 HB2 PRO 18 2HB PRO 18 -0.657 -6.264 -17.634 153 HB3 PRO 18 1HB PRO 18 -1.540 -5.533 -16.284 154 HG2 PRO 18 2HG PRO 18 -2.783 -7.208 -17.935 155 HG3 PRO 18 1HG PRO 18 -3.620 -5.744 -17.369 156 HD2 PRO 18 2HD PRO 18 -2.340 -6.298 -20.035 157 HD3 PRO 18 1HD PRO 18 -3.835 -5.409 -19.666 158 H GLU 19 H GLU 19 0.229 -4.734 -19.981 159 HA GLU 19 HA GLU 19 2.786 -4.293 -18.802 160 HB2 GLU 19 2HB GLU 19 2.051 -4.517 -21.747 161 HB3 GLU 19 1HB GLU 19 3.693 -4.574 -21.095 162 HG2 GLU 19 2HG GLU 19 2.978 -6.602 -19.750 163 HG3 GLU 19 1HG GLU 19 1.467 -6.587 -20.662 164 H GLU 20 H GLU 20 0.647 -2.289 -20.756 165 HA GLU 20 HA GLU 20 2.553 -0.144 -21.106 166 HB2 GLU 20 2HB GLU 20 -0.466 -0.047 -21.517 167 HB3 GLU 20 1HB GLU 20 0.739 1.046 -22.201 168 HG2 GLU 20 2HG GLU 20 0.302 -1.879 -22.897 169 HG3 GLU 20 1HG GLU 20 -0.048 -0.476 -23.907 170 H ALA 21 H ALA 21 0.024 -1.000 -18.855 171 HA ALA 21 HA ALA 21 -0.215 1.504 -17.487 172 HB1 ALA 21 1HB ALA 21 -2.029 -0.159 -17.520 173 HB2 ALA 21 2HB ALA 21 -1.553 0.225 -15.865 174 HB3 ALA 21 3HB ALA 21 -1.024 -1.287 -16.609 175 H ARG 22 H ARG 22 1.653 -1.490 -16.897 176 HA ARG 22 HA ARG 22 2.797 -0.609 -14.414 177 HB2 ARG 22 2HB ARG 22 4.274 -2.552 -14.543 178 HB3 ARG 22 1HB ARG 22 2.623 -3.024 -14.930 179 HG2 ARG 22 2HG ARG 22 3.158 -3.117 -17.300 180 HG3 ARG 22 1HG ARG 22 4.781 -2.507 -16.997 181 HD2 ARG 22 2HD ARG 22 3.684 -5.152 -15.984 182 HD3 ARG 22 1HD ARG 22 4.724 -4.956 -17.396 183 HE ARG 22 HE ARG 22 6.387 -3.968 -15.757 184 HH11 ARG 22 1HH1 ARG 22 4.072 -6.419 -14.758 185 HH12 ARG 22 2HH1 ARG 22 5.125 -7.066 -13.540 186 HH21 ARG 22 1HH2 ARG 22 7.722 -4.814 -14.150 187 HH22 ARG 22 2HH2 ARG 22 7.182 -6.166 -13.208 188 H GLU 23 H GLU 23 3.692 -0.359 -17.789 189 HA GLU 23 HA GLU 23 6.339 0.620 -17.545 190 HB2 GLU 23 2HB GLU 23 5.263 -0.197 -19.671 191 HB3 GLU 23 1HB GLU 23 4.263 1.248 -19.696 192 HG2 GLU 23 2HG GLU 23 6.085 1.509 -21.253 193 HG3 GLU 23 1HG GLU 23 6.301 2.640 -19.918 194 H ALA 24 H ALA 24 3.181 2.137 -17.550 195 HA ALA 24 HA ALA 24 3.951 4.850 -17.539 196 HB1 ALA 24 1HB ALA 24 1.375 3.571 -16.561 197 HB2 ALA 24 2HB ALA 24 1.708 4.091 -18.213 198 HB3 ALA 24 3HB ALA 24 1.610 5.286 -16.919 199 H VAL 25 H VAL 25 3.033 2.627 -14.883 200 HA VAL 25 HA VAL 25 2.972 4.638 -12.881 201 HB VAL 25 HB VAL 25 1.659 2.563 -12.653 202 HG11 VAL 25 1HG1 VAL 25 2.690 0.438 -11.951 203 HG12 VAL 25 2HG1 VAL 25 4.295 1.149 -12.138 204 HG13 VAL 25 3HG1 VAL 25 3.261 0.931 -13.547 205 HG21 VAL 25 1HG2 VAL 25 2.045 2.175 -10.249 206 HG22 VAL 25 2HG2 VAL 25 2.166 3.891 -10.639 207 HG23 VAL 25 3HG2 VAL 25 3.629 2.946 -10.370 208 H GLU 26 H GLU 26 5.552 2.402 -13.883 209 HA GLU 26 HA GLU 26 7.233 2.849 -11.611 210 HB2 GLU 26 2HB GLU 26 8.918 1.561 -12.794 211 HB3 GLU 26 1HB GLU 26 7.355 0.790 -12.957 212 HG2 GLU 26 2HG GLU 26 7.987 0.550 -15.129 213 HG3 GLU 26 1HG GLU 26 7.371 2.193 -15.276 214 H LYS 27 H LYS 27 7.002 4.278 -14.824 215 HA LYS 27 HA LYS 27 9.236 6.052 -14.599 216 HB2 LYS 27 2HB LYS 27 8.343 5.359 -16.790 217 HB3 LYS 27 1HB LYS 27 6.797 6.118 -16.432 218 HG2 LYS 27 2HG LYS 27 8.067 7.521 -17.954 219 HG3 LYS 27 1HG LYS 27 7.888 8.340 -16.400 220 HD2 LYS 27 2HD LYS 27 10.237 7.471 -15.822 221 HD3 LYS 27 1HD LYS 27 10.375 6.983 -17.515 222 HE2 LYS 27 2HE LYS 27 11.427 9.162 -17.180 223 HE3 LYS 27 1HE LYS 27 9.991 9.358 -18.190 224 HZ1 LYS 27 1HZ LYS 27 10.056 11.068 -16.533 225 HZ2 LYS 27 2HZ LYS 27 10.218 9.941 -15.286 226 HZ3 LYS 27 3HZ LYS 27 8.775 10.027 -16.164 227 H ALA 28 H ALA 28 5.836 6.228 -13.788 228 HA ALA 28 HA ALA 28 5.735 9.021 -13.111 229 HB1 ALA 28 1HB ALA 28 3.884 6.743 -12.333 230 HB2 ALA 28 2HB ALA 28 3.724 7.766 -13.762 231 HB3 ALA 28 3HB ALA 28 3.537 8.467 -12.154 232 H GLY 29 H GLY 29 6.782 6.133 -11.488 233 HA2 GLY 29 2HA GLY 29 7.769 5.762 -9.446 234 HA3 GLY 29 1HA GLY 29 7.759 7.498 -9.169 235 H GLY 30 H GLY 30 5.026 5.312 -9.760 236 HA2 GLY 30 2HA GLY 30 3.407 4.454 -8.338 237 HA3 GLY 30 1HA GLY 30 4.205 5.218 -6.976 238 H ASN 31 H ASN 31 3.671 7.477 -9.442 239 HA ASN 31 HA ASN 31 1.447 8.703 -7.965 240 HB2 ASN 31 2HB ASN 31 3.339 9.783 -10.097 241 HB3 ASN 31 1HB ASN 31 1.965 10.699 -9.474 242 HD21 ASN 31 1HD2 ASN 31 5.135 9.417 -8.706 243 HD22 ASN 31 2HD2 ASN 31 5.371 10.351 -7.279 244 H GLU 32 H GLU 32 -0.572 8.916 -8.811 245 HA GLU 32 HA GLU 32 -1.237 6.903 -10.737 246 HB2 GLU 32 2HB GLU 32 -3.150 8.834 -9.363 247 HB3 GLU 32 1HB GLU 32 -3.533 7.264 -10.069 248 HG2 GLU 32 2HG GLU 32 -1.962 6.252 -8.308 249 HG3 GLU 32 1HG GLU 32 -1.949 7.833 -7.554 250 H GLU 33 H GLU 33 -1.850 10.426 -10.547 251 HA GLU 33 HA GLU 33 -3.086 10.597 -13.127 252 HB2 GLU 33 2HB GLU 33 -3.496 12.209 -11.213 253 HB3 GLU 33 1HB GLU 33 -1.893 12.877 -11.499 254 HG2 GLU 33 2HG GLU 33 -2.639 13.438 -13.851 255 HG3 GLU 33 1HG GLU 33 -4.266 12.935 -13.395 256 H GLU 34 H GLU 34 0.181 10.870 -11.933 257 HA GLU 34 HA GLU 34 1.397 12.074 -14.217 258 HB2 GLU 34 2HB GLU 34 2.353 11.869 -11.822 259 HB3 GLU 34 1HB GLU 34 2.770 10.213 -12.234 260 HG2 GLU 34 2HG GLU 34 4.724 11.582 -12.502 261 HG3 GLU 34 1HG GLU 34 4.190 11.066 -14.103 262 H ALA 35 H ALA 35 0.845 8.717 -13.185 263 HA ALA 35 HA ALA 35 2.020 7.390 -15.424 264 HB1 ALA 35 1HB ALA 35 1.601 6.242 -13.284 265 HB2 ALA 35 2HB ALA 35 0.799 5.401 -14.609 266 HB3 ALA 35 3HB ALA 35 -0.139 6.421 -13.512 267 H ARG 36 H ARG 36 -1.120 8.752 -14.755 268 HA ARG 36 HA ARG 36 -2.609 7.719 -16.936 269 HB2 ARG 36 2HB ARG 36 -3.548 8.738 -14.835 270 HB3 ARG 36 1HB ARG 36 -2.998 10.311 -15.391 271 HG2 ARG 36 2HG ARG 36 -4.526 10.073 -17.377 272 HG3 ARG 36 1HG ARG 36 -5.146 8.582 -16.660 273 HD2 ARG 36 2HD ARG 36 -5.843 9.891 -14.644 274 HD3 ARG 36 1HD ARG 36 -5.296 11.370 -15.442 275 HE ARG 36 HE ARG 36 -7.590 9.691 -16.202 276 HH11 ARG 36 1HH1 ARG 36 -5.826 12.712 -16.691 277 HH12 ARG 36 2HH1 ARG 36 -7.125 13.454 -17.563 278 HH21 ARG 36 1HH2 ARG 36 -9.254 10.673 -17.317 279 HH22 ARG 36 2HH2 ARG 36 -9.079 12.294 -17.915 280 H ARG 37 H ARG 37 -0.238 10.245 -16.698 281 HA ARG 37 HA ARG 37 -0.855 11.564 -19.204 282 HB2 ARG 37 2HB ARG 37 1.622 11.700 -17.430 283 HB3 ARG 37 1HB ARG 37 1.313 12.751 -18.812 284 HG2 ARG 37 2HG ARG 37 -0.320 12.628 -16.256 285 HG3 ARG 37 1HG ARG 37 0.825 13.893 -16.710 286 HD2 ARG 37 2HD ARG 37 -1.786 13.224 -18.115 287 HD3 ARG 37 1HD ARG 37 -1.454 14.649 -17.123 288 HE ARG 37 HE ARG 37 0.230 14.237 -19.480 289 HH11 ARG 37 1HH1 ARG 37 -2.484 15.996 -18.100 290 HH12 ARG 37 2HH1 ARG 37 -2.473 17.197 -19.352 291 HH21 ARG 37 1HH2 ARG 37 0.217 15.791 -21.094 292 HH22 ARG 37 2HH2 ARG 37 -0.943 17.077 -21.050 293 H ILE 38 H ILE 38 1.030 8.830 -18.183 294 HA ILE 38 HA ILE 38 2.728 8.747 -20.572 295 HB ILE 38 HB ILE 38 2.645 6.811 -18.208 296 HG12 ILE 38 2HG1 ILE 38 4.473 9.232 -18.578 297 HG13 ILE 38 1HG1 ILE 38 3.071 9.201 -17.519 298 HG21 ILE 38 1HG2 ILE 38 4.862 7.295 -20.248 299 HG22 ILE 38 2HG2 ILE 38 3.837 5.863 -20.157 300 HG23 ILE 38 3HG2 ILE 38 4.968 6.218 -18.852 301 HD11 ILE 38 1HD1 ILE 38 4.125 7.481 -16.161 302 HD12 ILE 38 2HD1 ILE 38 5.123 8.929 -16.286 303 HD13 ILE 38 3HD1 ILE 38 5.531 7.497 -17.229 304 H VAL 39 H VAL 39 -0.362 7.807 -19.848 305 HA VAL 39 HA VAL 39 -0.682 5.271 -21.065 306 HB VAL 39 HB VAL 39 -2.685 7.572 -20.952 307 HG11 VAL 39 1HG1 VAL 39 -3.384 5.865 -22.585 308 HG12 VAL 39 2HG1 VAL 39 -4.444 5.845 -21.177 309 HG13 VAL 39 3HG1 VAL 39 -3.205 4.601 -21.366 310 HG21 VAL 39 1HG2 VAL 39 -3.542 6.490 -18.911 311 HG22 VAL 39 2HG2 VAL 39 -1.857 6.979 -18.730 312 HG23 VAL 39 3HG2 VAL 39 -2.255 5.286 -19.012 313 H LYS 40 H LYS 40 -0.986 4.672 -23.152 314 HA LYS 40 HA LYS 40 -0.826 4.585 -25.379 315 HB2 LYS 40 2HB LYS 40 -2.775 6.093 -25.430 316 HB3 LYS 40 1HB LYS 40 -1.726 7.498 -25.268 317 HG2 LYS 40 2HG LYS 40 -0.710 6.933 -27.494 318 HG3 LYS 40 1HG LYS 40 -1.885 5.621 -27.645 319 HD2 LYS 40 2HD LYS 40 -3.726 7.296 -27.503 320 HD3 LYS 40 1HD LYS 40 -2.521 8.584 -27.423 321 HE2 LYS 40 2HE LYS 40 -3.400 8.378 -29.698 322 HE3 LYS 40 1HE LYS 40 -1.693 7.927 -29.668 323 HZ1 LYS 40 1HZ LYS 40 -3.000 6.384 -30.988 324 HZ2 LYS 40 2HZ LYS 40 -3.993 6.046 -29.660 325 HZ3 LYS 40 3HZ LYS 40 -2.360 5.597 -29.631 326 H LYS 41 H LYS 41 0.190 7.984 -25.254 327 HA LYS 41 HA LYS 41 1.965 9.044 -26.142 328 HB2 LYS 41 2HB LYS 41 3.220 7.319 -23.990 329 HB3 LYS 41 1HB LYS 41 4.097 8.620 -24.788 330 HG2 LYS 41 2HG LYS 41 1.561 8.921 -23.142 331 HG3 LYS 41 1HG LYS 41 3.195 9.345 -22.626 332 HD2 LYS 41 2HD LYS 41 1.647 10.656 -24.903 333 HD3 LYS 41 1HD LYS 41 1.892 11.340 -23.294 334 HE2 LYS 41 2HE LYS 41 4.079 10.739 -25.320 335 HE3 LYS 41 1HE LYS 41 3.429 12.335 -24.952 336 HZ1 LYS 41 1HZ LYS 41 5.512 11.960 -23.810 337 HZ2 LYS 41 2HZ LYS 41 4.899 10.573 -23.060 338 HZ3 LYS 41 3HZ LYS 41 4.257 12.091 -22.681 339 H ARG 42 H ARG 42 3.663 5.934 -25.668 340 HA ARG 42 HA ARG 42 5.273 4.893 -26.829 341 HB2 ARG 42 2HB ARG 42 3.646 4.431 -28.596 342 HB3 ARG 42 1HB ARG 42 3.859 6.039 -29.273 343 HG2 ARG 42 2HG ARG 42 6.163 5.490 -29.935 344 HG3 ARG 42 1HG ARG 42 6.005 3.895 -29.193 345 HD2 ARG 42 2HD ARG 42 4.354 4.914 -31.525 346 HD3 ARG 42 1HD ARG 42 5.742 3.824 -31.658 347 HE ARG 42 HE ARG 42 3.822 2.751 -29.866 348 HH11 ARG 42 1HH1 ARG 42 4.327 3.208 -33.316 349 HH12 ARG 42 2HH1 ARG 42 3.305 1.879 -33.753 350 HH21 ARG 42 1HH2 ARG 42 2.495 1.012 -30.467 351 HH22 ARG 42 2HH2 ARG 42 2.274 0.635 -32.145 352 H LEU 43 H LEU 43 7.017 5.867 -26.063 353 HA LEU 43 HA LEU 43 8.772 7.212 -25.715 354 HB2 LEU 43 2HB LEU 43 8.497 7.891 -28.676 355 HB3 LEU 43 1HB LEU 43 9.928 8.167 -27.690 356 HG LEU 43 HG LEU 43 8.772 5.455 -28.473 357 HD11 LEU 43 1HD1 LEU 43 11.361 6.790 -29.320 358 HD12 LEU 43 2HD1 LEU 43 9.930 6.538 -30.326 359 HD13 LEU 43 3HD1 LEU 43 10.846 5.153 -29.743 360 HD21 LEU 43 1HD2 LEU 43 11.198 6.052 -26.745 361 HD22 LEU 43 2HD2 LEU 43 10.740 4.461 -27.355 362 HD23 LEU 43 3HD2 LEU 43 9.690 5.298 -26.218 Start of MODEL 6 1 HA ARG 1 HA ARG 1 5.263 3.896 -3.184 2 HB2 ARG 1 2HB ARG 1 5.301 3.748 -5.740 3 HB3 ARG 1 1HB ARG 1 6.731 4.430 -4.979 4 HG2 ARG 1 2HG ARG 1 7.914 2.276 -5.261 5 HG3 ARG 1 1HG ARG 1 6.482 1.597 -6.039 6 HD2 ARG 1 2HD ARG 1 6.684 3.118 -7.900 7 HD3 ARG 1 1HD ARG 1 7.940 4.048 -7.079 8 HE ARG 1 HE ARG 1 8.883 1.436 -7.326 9 HH11 ARG 1 1HH1 ARG 1 8.055 4.090 -9.479 10 HH12 ARG 1 2HH1 ARG 1 9.131 3.568 -10.733 11 HH21 ARG 1 1HH2 ARG 1 10.301 0.783 -8.984 12 HH22 ARG 1 2HH2 ARG 1 10.385 1.705 -10.456 13 H LYS 2 H LYS 2 3.173 3.424 -3.656 14 HA LYS 2 HA LYS 2 2.402 0.594 -4.088 15 HB2 LYS 2 2HB LYS 2 1.861 1.628 -1.809 16 HB3 LYS 2 1HB LYS 2 0.773 2.739 -2.635 17 HG2 LYS 2 2HG LYS 2 -0.592 0.822 -3.411 18 HG3 LYS 2 1HG LYS 2 0.520 -0.295 -2.610 19 HD2 LYS 2 2HD LYS 2 -0.040 0.833 -0.420 20 HD3 LYS 2 1HD LYS 2 -1.259 1.783 -1.272 21 HE2 LYS 2 2HE LYS 2 -2.328 -0.096 -0.159 22 HE3 LYS 2 1HE LYS 2 -2.406 -0.333 -1.905 23 HZ1 LYS 2 1HZ LYS 2 -1.810 -2.356 -0.733 24 HZ2 LYS 2 2HZ LYS 2 -0.442 -1.606 -0.085 25 HZ3 LYS 2 3HZ LYS 2 -0.555 -1.869 -1.752 26 H TRP 3 H TRP 3 1.396 0.269 -5.995 27 HA TRP 3 HA TRP 3 0.128 2.503 -7.472 28 HB2 TRP 3 2HB TRP 3 1.484 1.716 -9.518 29 HB3 TRP 3 1HB TRP 3 2.404 2.551 -8.271 30 HD1 TRP 3 HD1 TRP 3 4.319 1.194 -7.042 31 HE1 TRP 3 HE1 TRP 3 5.339 -1.136 -7.346 32 HE3 TRP 3 HE3 TRP 3 0.909 -0.823 -10.299 33 HZ2 TRP 3 HZ2 TRP 3 4.814 -3.500 -8.753 34 HZ3 TRP 3 HZ3 TRP 3 1.242 -3.129 -11.071 35 HH2 TRP 3 HH2 TRP 3 3.161 -4.446 -10.313 36 H GLU 4 H GLU 4 -0.870 -0.019 -6.137 37 HA GLU 4 HA GLU 4 -1.358 -1.938 -8.297 38 HB2 GLU 4 2HB GLU 4 -2.436 -3.305 -6.448 39 HB3 GLU 4 1HB GLU 4 -0.734 -2.920 -6.201 40 HG2 GLU 4 2HG GLU 4 -1.457 -1.030 -4.703 41 HG3 GLU 4 1HG GLU 4 -3.118 -1.609 -4.858 42 H GLU 5 H GLU 5 -3.310 0.052 -6.126 43 HA GLU 5 HA GLU 5 -5.819 -0.387 -7.475 44 HB2 GLU 5 2HB GLU 5 -6.721 1.276 -5.930 45 HB3 GLU 5 1HB GLU 5 -5.706 0.149 -5.048 46 HG2 GLU 5 2HG GLU 5 -4.766 2.912 -5.913 47 HG3 GLU 5 1HG GLU 5 -5.522 2.589 -4.360 48 H ILE 6 H ILE 6 -3.164 1.837 -7.738 49 HA ILE 6 HA ILE 6 -4.382 3.879 -9.276 50 HB ILE 6 HB ILE 6 -1.465 2.997 -9.148 51 HG12 ILE 6 2HG1 ILE 6 -2.947 5.233 -7.678 52 HG13 ILE 6 1HG1 ILE 6 -2.343 3.743 -6.958 53 HG21 ILE 6 1HG2 ILE 6 -1.758 4.247 -11.214 54 HG22 ILE 6 2HG2 ILE 6 -0.905 5.264 -10.056 55 HG23 ILE 6 3HG2 ILE 6 -2.617 5.537 -10.367 56 HD11 ILE 6 1HD1 ILE 6 -0.662 5.966 -8.129 57 HD12 ILE 6 2HD1 ILE 6 -0.041 4.471 -7.420 58 HD13 ILE 6 3HD1 ILE 6 -0.921 5.626 -6.419 59 H ALA 7 H ALA 7 -2.234 1.195 -10.318 60 HA ALA 7 HA ALA 7 -2.538 1.570 -13.107 61 HB1 ALA 7 1HB ALA 7 -0.616 0.396 -12.094 62 HB2 ALA 7 2HB ALA 7 -1.385 -0.571 -13.353 63 HB3 ALA 7 3HB ALA 7 -1.672 -0.945 -11.651 64 H GLU 8 H GLU 8 -4.446 -0.116 -10.784 65 HA GLU 8 HA GLU 8 -6.003 -1.841 -12.336 66 HB2 GLU 8 2HB GLU 8 -5.895 -1.717 -9.836 67 HB3 GLU 8 1HB GLU 8 -6.819 -0.228 -9.871 68 HG2 GLU 8 2HG GLU 8 -7.903 -2.860 -10.925 69 HG3 GLU 8 1HG GLU 8 -8.041 -2.388 -9.235 70 H ARG 9 H ARG 9 -6.448 1.603 -11.556 71 HA ARG 9 HA ARG 9 -8.841 2.013 -13.046 72 HB2 ARG 9 2HB ARG 9 -6.723 3.990 -12.132 73 HB3 ARG 9 1HB ARG 9 -8.269 4.459 -12.840 74 HG2 ARG 9 2HG ARG 9 -9.426 3.292 -10.939 75 HG3 ARG 9 1HG ARG 9 -7.843 3.000 -10.207 76 HD2 ARG 9 2HD ARG 9 -9.024 5.010 -9.285 77 HD3 ARG 9 1HD ARG 9 -7.444 5.383 -9.983 78 HE ARG 9 HE ARG 9 -9.894 5.747 -11.576 79 HH11 ARG 9 1HH1 ARG 9 -7.146 7.233 -9.983 80 HH12 ARG 9 2HH1 ARG 9 -7.365 8.762 -10.782 81 HH21 ARG 9 1HH2 ARG 9 -10.149 7.727 -12.644 82 HH22 ARG 9 2HH2 ARG 9 -9.069 9.040 -12.295 83 H LEU 10 H LEU 10 -5.406 2.600 -13.761 84 HA LEU 10 HA LEU 10 -5.484 3.924 -16.165 85 HB2 LEU 10 2HB LEU 10 -3.515 2.034 -14.913 86 HB3 LEU 10 1HB LEU 10 -3.270 2.386 -16.606 87 HG LEU 10 HG LEU 10 -1.856 3.787 -15.139 88 HD11 LEU 10 1HD1 LEU 10 -2.330 5.932 -16.212 89 HD12 LEU 10 2HD1 LEU 10 -3.930 5.360 -16.687 90 HD13 LEU 10 3HD1 LEU 10 -2.482 4.595 -17.348 91 HD21 LEU 10 1HD2 LEU 10 -2.827 5.590 -13.778 92 HD22 LEU 10 2HD2 LEU 10 -3.321 4.002 -13.200 93 HD23 LEU 10 3HD2 LEU 10 -4.451 4.986 -14.129 94 H ARG 11 H ARG 11 -5.768 0.431 -15.647 95 HA ARG 11 HA ARG 11 -5.757 -0.704 -18.150 96 HB2 ARG 11 2HB ARG 11 -5.982 -1.957 -16.020 97 HB3 ARG 11 1HB ARG 11 -7.622 -1.357 -15.819 98 HG2 ARG 11 2HG ARG 11 -8.236 -2.572 -17.951 99 HG3 ARG 11 1HG ARG 11 -6.624 -3.288 -17.940 100 HD2 ARG 11 2HD ARG 11 -8.088 -4.904 -16.971 101 HD3 ARG 11 1HD ARG 11 -7.183 -4.215 -15.622 102 HE ARG 11 HE ARG 11 -10.017 -3.706 -16.296 103 HH11 ARG 11 1HH1 ARG 11 -7.433 -3.427 -13.931 104 HH12 ARG 11 2HH1 ARG 11 -8.508 -2.981 -12.646 105 HH21 ARG 11 1HH2 ARG 11 -11.408 -3.172 -14.572 106 HH22 ARG 11 2HH2 ARG 11 -10.735 -2.839 -12.999 107 H GLU 12 H GLU 12 -8.731 0.454 -16.489 108 HA GLU 12 HA GLU 12 -10.071 0.774 -19.121 109 HB2 GLU 12 2HB GLU 12 -11.077 -1.004 -17.705 110 HB3 GLU 12 1HB GLU 12 -11.309 0.158 -16.405 111 HG2 GLU 12 2HG GLU 12 -12.821 1.472 -17.988 112 HG3 GLU 12 1HG GLU 12 -12.714 0.102 -19.098 113 H GLU 13 H GLU 13 -9.032 2.864 -19.188 114 HA GLU 13 HA GLU 13 -10.758 4.985 -18.312 115 HB2 GLU 13 2HB GLU 13 -8.914 4.428 -16.383 116 HB3 GLU 13 1HB GLU 13 -7.889 5.426 -17.400 117 HG2 GLU 13 2HG GLU 13 -10.477 6.236 -16.042 118 HG3 GLU 13 1HG GLU 13 -8.852 6.744 -15.596 119 H PHE 14 H PHE 14 -7.368 4.443 -19.259 120 HA PHE 14 HA PHE 14 -7.542 6.287 -21.517 121 HB2 PHE 14 2HB PHE 14 -5.238 4.638 -20.398 122 HB3 PHE 14 1HB PHE 14 -5.094 5.741 -21.763 123 HD1 PHE 14 HD1 PHE 14 -5.772 5.566 -18.109 124 HD2 PHE 14 HD2 PHE 14 -4.908 8.120 -21.427 125 HE1 PHE 14 HE1 PHE 14 -5.392 7.448 -16.568 126 HE2 PHE 14 HE2 PHE 14 -4.524 9.987 -19.880 127 HZ PHE 14 HZ PHE 14 -4.769 9.656 -17.455 128 H ASN 15 H ASN 15 -8.494 3.195 -21.049 129 HA ASN 15 HA ASN 15 -8.934 1.353 -22.247 130 HB2 ASN 15 2HB ASN 15 -10.153 2.997 -23.655 131 HB3 ASN 15 1HB ASN 15 -8.714 3.219 -24.640 132 HD21 ASN 15 1HD2 ASN 15 -8.243 1.700 -26.219 133 HD22 ASN 15 2HD2 ASN 15 -9.289 0.386 -26.618 134 H ILE 16 H ILE 16 -6.763 0.776 -21.368 135 HA ILE 16 HA ILE 16 -4.870 0.013 -23.515 136 HB ILE 16 HB ILE 16 -2.919 0.652 -22.126 137 HG12 ILE 16 2HG1 ILE 16 -4.955 1.872 -20.188 138 HG13 ILE 16 1HG1 ILE 16 -3.886 0.514 -19.854 139 HG21 ILE 16 1HG2 ILE 16 -3.716 2.256 -23.805 140 HG22 ILE 16 2HG2 ILE 16 -3.016 3.091 -22.421 141 HG23 ILE 16 3HG2 ILE 16 -4.770 3.016 -22.605 142 HD11 ILE 16 1HD1 ILE 16 -3.026 3.367 -20.346 143 HD12 ILE 16 2HD1 ILE 16 -1.947 2.010 -20.008 144 HD13 ILE 16 3HD1 ILE 16 -3.104 2.545 -18.789 145 H ASN 17 H ASN 17 -3.432 -1.675 -22.907 146 HA ASN 17 HA ASN 17 -4.561 -3.814 -21.393 147 HB2 ASN 17 2HB ASN 17 -3.043 -3.938 -23.506 148 HB3 ASN 17 1HB ASN 17 -1.711 -3.545 -22.425 149 HD21 ASN 17 1HD2 ASN 17 -2.604 -5.999 -24.099 150 HD22 ASN 17 2HD2 ASN 17 -2.341 -7.312 -23.014 151 HA PRO 18 HA PRO 18 -2.685 -2.955 -17.276 152 HB2 PRO 18 2HB PRO 18 -2.350 -5.955 -17.371 153 HB3 PRO 18 1HB PRO 18 -2.890 -4.935 -16.023 154 HG2 PRO 18 2HG PRO 18 -4.677 -6.269 -17.469 155 HG3 PRO 18 1HG PRO 18 -5.020 -4.599 -16.967 156 HD2 PRO 18 2HD PRO 18 -4.231 -5.646 -19.669 157 HD3 PRO 18 1HD PRO 18 -5.308 -4.298 -19.247 158 H GLU 19 H GLU 19 -1.053 -4.730 -19.825 159 HA GLU 19 HA GLU 19 1.589 -4.720 -18.760 160 HB2 GLU 19 2HB GLU 19 0.899 -6.148 -20.694 161 HB3 GLU 19 1HB GLU 19 0.677 -4.704 -21.677 162 HG2 GLU 19 2HG GLU 19 3.114 -4.203 -21.435 163 HG3 GLU 19 1HG GLU 19 3.311 -5.700 -20.528 164 H GLU 20 H GLU 20 -0.111 -2.548 -21.030 165 HA GLU 20 HA GLU 20 1.906 -0.559 -21.306 166 HB2 GLU 20 2HB GLU 20 -1.104 -0.284 -21.695 167 HB3 GLU 20 1HB GLU 20 0.116 0.826 -22.321 168 HG2 GLU 20 2HG GLU 20 1.007 -0.961 -23.770 169 HG3 GLU 20 1HG GLU 20 -0.177 -2.094 -23.118 170 H ALA 21 H ALA 21 -0.787 -1.006 -19.121 171 HA ALA 21 HA ALA 21 -0.793 1.510 -17.800 172 HB1 ALA 21 1HB ALA 21 -2.746 -0.006 -17.783 173 HB2 ALA 21 2HB ALA 21 -2.235 0.387 -16.142 174 HB3 ALA 21 3HB ALA 21 -1.828 -1.182 -16.835 175 H ARG 22 H ARG 22 0.810 -1.586 -17.198 176 HA ARG 22 HA ARG 22 1.973 -0.990 -14.681 177 HB2 ARG 22 2HB ARG 22 1.781 -3.306 -15.409 178 HB3 ARG 22 1HB ARG 22 2.759 -2.999 -16.837 179 HG2 ARG 22 2HG ARG 22 4.024 -4.239 -15.124 180 HG3 ARG 22 1HG ARG 22 4.750 -2.657 -15.430 181 HD2 ARG 22 2HD ARG 22 3.464 -1.809 -13.386 182 HD3 ARG 22 1HD ARG 22 3.068 -3.499 -13.052 183 HE ARG 22 HE ARG 22 5.515 -3.910 -12.949 184 HH11 ARG 22 1HH1 ARG 22 4.324 -0.661 -12.364 185 HH12 ARG 22 2HH1 ARG 22 5.662 -0.213 -11.357 186 HH21 ARG 22 1HH2 ARG 22 7.279 -3.323 -11.646 187 HH22 ARG 22 2HH2 ARG 22 7.363 -1.727 -10.964 188 H GLU 23 H GLU 23 3.140 -0.713 -17.992 189 HA GLU 23 HA GLU 23 5.786 0.104 -17.514 190 HB2 GLU 23 2HB GLU 23 4.933 -0.728 -19.680 191 HB3 GLU 23 1HB GLU 23 3.926 0.703 -19.846 192 HG2 GLU 23 2HG GLU 23 5.991 2.107 -19.965 193 HG3 GLU 23 1HG GLU 23 6.963 0.632 -19.881 194 H ALA 24 H ALA 24 2.808 1.948 -18.000 195 HA ALA 24 HA ALA 24 3.921 4.558 -17.912 196 HB1 ALA 24 1HB ALA 24 1.065 3.663 -17.406 197 HB2 ALA 24 2HB ALA 24 1.767 4.050 -18.979 198 HB3 ALA 24 3HB ALA 24 1.590 5.311 -17.758 199 H VAL 25 H VAL 25 2.339 2.526 -15.455 200 HA VAL 25 HA VAL 25 2.298 4.568 -13.445 201 HB VAL 25 HB VAL 25 0.682 2.560 -13.655 202 HG11 VAL 25 1HG1 VAL 25 1.238 0.517 -12.388 203 HG12 VAL 25 2HG1 VAL 25 2.870 1.120 -12.113 204 HG13 VAL 25 3HG1 VAL 25 2.339 0.742 -13.750 205 HG21 VAL 25 1HG2 VAL 25 1.807 3.251 -10.924 206 HG22 VAL 25 2HG2 VAL 25 0.234 2.513 -11.225 207 HG23 VAL 25 3HG2 VAL 25 0.562 4.149 -11.797 208 H GLU 26 H GLU 26 4.630 2.230 -14.459 209 HA GLU 26 HA GLU 26 6.226 2.030 -12.121 210 HB2 GLU 26 2HB GLU 26 6.299 0.527 -14.205 211 HB3 GLU 26 1HB GLU 26 7.192 1.802 -15.017 212 HG2 GLU 26 2HG GLU 26 8.132 0.412 -12.486 213 HG3 GLU 26 1HG GLU 26 8.570 -0.114 -14.106 214 H LYS 27 H LYS 27 6.442 4.067 -15.054 215 HA LYS 27 HA LYS 27 8.600 5.681 -14.092 216 HB2 LYS 27 2HB LYS 27 7.997 5.276 -16.531 217 HB3 LYS 27 1HB LYS 27 6.646 6.378 -16.317 218 HG2 LYS 27 2HG LYS 27 8.531 7.521 -17.381 219 HG3 LYS 27 1HG LYS 27 8.212 8.214 -15.786 220 HD2 LYS 27 2HD LYS 27 10.089 6.834 -14.847 221 HD3 LYS 27 1HD LYS 27 10.413 6.216 -16.468 222 HE2 LYS 27 2HE LYS 27 10.611 9.125 -15.627 223 HE3 LYS 27 1HE LYS 27 11.971 8.020 -15.826 224 HZ1 LYS 27 1HZ LYS 27 11.310 7.763 -18.164 225 HZ2 LYS 27 2HZ LYS 27 11.756 9.344 -17.765 226 HZ3 LYS 27 3HZ LYS 27 10.123 8.953 -17.946 227 H ALA 28 H ALA 28 5.113 5.883 -13.872 228 HA ALA 28 HA ALA 28 4.898 8.538 -12.822 229 HB1 ALA 28 1HB ALA 28 2.995 7.369 -13.869 230 HB2 ALA 28 2HB ALA 28 2.603 7.893 -12.231 231 HB3 ALA 28 3HB ALA 28 2.984 6.198 -12.548 232 H GLY 29 H GLY 29 5.588 5.402 -11.473 233 HA2 GLY 29 2HA GLY 29 6.577 4.829 -9.481 234 HA3 GLY 29 1HA GLY 29 6.524 6.513 -8.980 235 H GLY 30 H GLY 30 4.420 7.354 -8.274 236 HA2 GLY 30 2HA GLY 30 2.394 5.454 -7.368 237 HA3 GLY 30 1HA GLY 30 3.323 6.246 -6.098 238 H ASN 31 H ASN 31 2.259 7.544 -9.208 239 HA ASN 31 HA ASN 31 0.187 9.188 -7.920 240 HB2 ASN 31 2HB ASN 31 2.158 10.668 -8.093 241 HB3 ASN 31 1HB ASN 31 2.298 10.312 -9.815 242 HD21 ASN 31 1HD2 ASN 31 2.086 12.533 -10.290 243 HD22 ASN 31 2HD2 ASN 31 0.571 13.353 -10.218 244 H GLU 32 H GLU 32 -1.662 9.152 -8.985 245 HA GLU 32 HA GLU 32 -2.036 7.512 -11.289 246 HB2 GLU 32 2HB GLU 32 -4.078 9.420 -10.082 247 HB3 GLU 32 1HB GLU 32 -4.393 7.948 -11.007 248 HG2 GLU 32 2HG GLU 32 -3.311 6.645 -9.121 249 HG3 GLU 32 1HG GLU 32 -3.243 8.143 -8.205 250 H GLU 33 H GLU 33 -1.925 10.992 -10.712 251 HA GLU 33 HA GLU 33 -2.890 11.696 -13.362 252 HB2 GLU 33 2HB GLU 33 -3.292 12.948 -11.056 253 HB3 GLU 33 1HB GLU 33 -1.768 13.730 -11.423 254 HG2 GLU 33 2HG GLU 33 -3.481 15.188 -12.183 255 HG3 GLU 33 1HG GLU 33 -2.786 14.453 -13.629 256 H GLU 34 H GLU 34 0.139 10.906 -12.070 257 HA GLU 34 HA GLU 34 1.765 12.494 -13.870 258 HB2 GLU 34 2HB GLU 34 2.623 11.625 -11.670 259 HB3 GLU 34 1HB GLU 34 2.521 9.984 -12.293 260 HG2 GLU 34 2HG GLU 34 4.828 10.829 -12.340 261 HG3 GLU 34 1HG GLU 34 4.236 10.488 -13.969 262 H ALA 35 H ALA 35 0.326 9.304 -13.774 263 HA ALA 35 HA ALA 35 1.692 8.038 -15.873 264 HB1 ALA 35 1HB ALA 35 -1.078 7.467 -14.803 265 HB2 ALA 35 2HB ALA 35 0.434 6.831 -14.152 266 HB3 ALA 35 3HB ALA 35 -0.103 6.367 -15.771 267 H ARG 36 H ARG 36 -0.937 10.364 -15.988 268 HA ARG 36 HA ARG 36 -2.241 9.586 -18.363 269 HB2 ARG 36 2HB ARG 36 -3.270 11.782 -18.399 270 HB3 ARG 36 1HB ARG 36 -3.210 11.199 -16.741 271 HG2 ARG 36 2HG ARG 36 -1.271 12.675 -16.300 272 HG3 ARG 36 1HG ARG 36 -1.344 13.261 -17.962 273 HD2 ARG 36 2HD ARG 36 -3.556 13.570 -15.899 274 HD3 ARG 36 1HD ARG 36 -2.406 14.827 -16.358 275 HE ARG 36 HE ARG 36 -3.358 14.590 -18.671 276 HH11 ARG 36 1HH1 ARG 36 -5.356 13.825 -15.903 277 HH12 ARG 36 2HH1 ARG 36 -6.837 14.262 -16.697 278 HH21 ARG 36 1HH2 ARG 36 -5.306 15.137 -19.715 279 HH22 ARG 36 2HH2 ARG 36 -6.805 14.981 -18.853 280 H ARG 37 H ARG 37 0.606 11.623 -17.893 281 HA ARG 37 HA ARG 37 0.773 12.420 -20.685 282 HB2 ARG 37 2HB ARG 37 2.639 12.963 -18.341 283 HB3 ARG 37 1HB ARG 37 2.860 13.619 -19.965 284 HG2 ARG 37 2HG ARG 37 0.624 14.758 -19.743 285 HG3 ARG 37 1HG ARG 37 0.557 14.194 -18.071 286 HD2 ARG 37 2HD ARG 37 2.540 15.487 -17.507 287 HD3 ARG 37 1HD ARG 37 2.764 15.943 -19.200 288 HE ARG 37 HE ARG 37 0.219 16.715 -18.061 289 HH11 ARG 37 1HH1 ARG 37 3.523 17.760 -18.620 290 HH12 ARG 37 2HH1 ARG 37 3.135 19.444 -18.472 291 HH21 ARG 37 1HH2 ARG 37 -0.261 18.931 -17.859 292 HH22 ARG 37 2HH2 ARG 37 1.009 20.101 -18.033 293 H ILE 38 H ILE 38 1.856 9.824 -18.789 294 HA ILE 38 HA ILE 38 4.151 9.152 -20.464 295 HB ILE 38 HB ILE 38 2.933 7.532 -18.176 296 HG12 ILE 38 2HG1 ILE 38 5.225 9.557 -18.029 297 HG13 ILE 38 1HG1 ILE 38 3.592 9.871 -17.459 298 HG21 ILE 38 1HG2 ILE 38 5.722 7.428 -19.404 299 HG22 ILE 38 2HG2 ILE 38 4.461 6.211 -19.612 300 HG23 ILE 38 3HG2 ILE 38 5.175 6.478 -18.021 301 HD11 ILE 38 1HD1 ILE 38 5.500 7.817 -16.353 302 HD12 ILE 38 2HD1 ILE 38 3.855 8.106 -15.778 303 HD13 ILE 38 3HD1 ILE 38 5.080 9.368 -15.629 304 H VAL 39 H VAL 39 0.796 8.163 -19.945 305 HA VAL 39 HA VAL 39 0.823 5.872 -21.674 306 HB VAL 39 HB VAL 39 -1.554 7.500 -20.646 307 HG11 VAL 39 1HG1 VAL 39 -2.950 5.524 -21.230 308 HG12 VAL 39 2HG1 VAL 39 -1.540 4.768 -21.974 309 HG13 VAL 39 3HG1 VAL 39 -2.202 6.256 -22.649 310 HG21 VAL 39 1HG2 VAL 39 -0.450 4.865 -19.610 311 HG22 VAL 39 2HG2 VAL 39 -1.875 5.700 -18.987 312 HG23 VAL 39 3HG2 VAL 39 -0.278 6.427 -18.817 313 H LYS 40 H LYS 40 -0.563 9.145 -21.951 314 HA LYS 40 HA LYS 40 -0.814 10.620 -23.624 315 HB2 LYS 40 2HB LYS 40 0.894 8.690 -25.243 316 HB3 LYS 40 1HB LYS 40 0.373 10.259 -25.850 317 HG2 LYS 40 2HG LYS 40 1.658 11.425 -24.202 318 HG3 LYS 40 1HG LYS 40 1.983 9.944 -23.301 319 HD2 LYS 40 2HD LYS 40 2.964 10.343 -26.147 320 HD3 LYS 40 1HD LYS 40 3.886 10.909 -24.758 321 HE2 LYS 40 2HE LYS 40 4.750 8.750 -25.449 322 HE3 LYS 40 1HE LYS 40 3.952 8.565 -23.890 323 HZ1 LYS 40 1HZ LYS 40 2.743 7.873 -26.509 324 HZ2 LYS 40 2HZ LYS 40 2.066 7.586 -24.986 325 HZ3 LYS 40 3HZ LYS 40 3.462 6.761 -25.455 326 H LYS 41 H LYS 41 -2.396 7.789 -23.491 327 HA LYS 41 HA LYS 41 -3.863 7.871 -25.997 328 HB2 LYS 41 2HB LYS 41 -4.281 6.313 -23.412 329 HB3 LYS 41 1HB LYS 41 -5.375 6.181 -24.785 330 HG2 LYS 41 2HG LYS 41 -2.412 5.632 -25.067 331 HG3 LYS 41 1HG LYS 41 -3.530 4.393 -24.511 332 HD2 LYS 41 2HD LYS 41 -4.122 5.844 -27.097 333 HD3 LYS 41 1HD LYS 41 -2.890 4.583 -27.078 334 HE2 LYS 41 2HE LYS 41 -5.107 3.711 -27.783 335 HE3 LYS 41 1HE LYS 41 -4.531 2.928 -26.313 336 HZ1 LYS 41 1HZ LYS 41 -6.870 3.477 -26.203 337 HZ2 LYS 41 2HZ LYS 41 -6.543 5.113 -26.434 338 HZ3 LYS 41 3HZ LYS 41 -6.004 4.334 -25.037 339 H ARG 42 H ARG 42 -4.640 9.962 -26.096 340 HA ARG 42 HA ARG 42 -6.285 11.244 -24.163 341 HB2 ARG 42 2HB ARG 42 -5.133 12.405 -26.066 342 HB3 ARG 42 1HB ARG 42 -6.206 11.596 -27.198 343 HG2 ARG 42 2HG ARG 42 -6.932 13.889 -26.858 344 HG3 ARG 42 1HG ARG 42 -8.142 12.781 -26.202 345 HD2 ARG 42 2HD ARG 42 -7.236 13.173 -23.919 346 HD3 ARG 42 1HD ARG 42 -6.050 14.297 -24.594 347 HE ARG 42 HE ARG 42 -8.961 14.707 -24.391 348 HH11 ARG 42 1HH1 ARG 42 -5.797 16.058 -25.164 349 HH12 ARG 42 2HH1 ARG 42 -6.385 17.691 -25.238 350 HH21 ARG 42 1HH2 ARG 42 -9.710 16.852 -24.503 351 HH22 ARG 42 2HH2 ARG 42 -8.592 18.132 -24.872 352 H LEU 43 H LEU 43 -6.906 9.029 -26.823 353 HA LEU 43 HA LEU 43 -9.465 8.276 -25.653 354 HB2 LEU 43 2HB LEU 43 -9.858 10.105 -27.439 355 HB3 LEU 43 1HB LEU 43 -9.254 8.975 -28.626 356 HG LEU 43 HG LEU 43 -11.781 9.223 -28.519 357 HD11 LEU 43 1HD1 LEU 43 -12.309 6.880 -28.860 358 HD12 LEU 43 2HD1 LEU 43 -10.799 6.397 -28.076 359 HD13 LEU 43 3HD1 LEU 43 -10.765 7.275 -29.606 360 HD21 LEU 43 1HD2 LEU 43 -12.022 9.393 -26.094 361 HD22 LEU 43 2HD2 LEU 43 -11.515 7.712 -25.908 362 HD23 LEU 43 3HD2 LEU 43 -13.024 8.099 -26.741 Start of MODEL 7 1 HA ARG 1 HA ARG 1 4.586 1.518 -0.887 2 HB2 ARG 1 2HB ARG 1 2.136 3.277 -0.415 3 HB3 ARG 1 1HB ARG 1 2.399 1.725 0.380 4 HG2 ARG 1 2HG ARG 1 4.503 2.638 1.387 5 HG3 ARG 1 1HG ARG 1 4.140 4.203 0.653 6 HD2 ARG 1 2HD ARG 1 2.372 2.769 2.666 7 HD3 ARG 1 1HD ARG 1 3.501 4.072 3.055 8 HE ARG 1 HE ARG 1 1.567 4.766 1.020 9 HH11 ARG 1 1HH1 ARG 1 2.118 4.678 4.482 10 HH12 ARG 1 2HH1 ARG 1 0.945 5.906 4.819 11 HH21 ARG 1 1HH2 ARG 1 0.027 6.375 1.479 12 HH22 ARG 1 2HH2 ARG 1 -0.241 6.862 3.124 13 H LYS 2 H LYS 2 1.914 0.372 -0.817 14 HA LYS 2 HA LYS 2 1.919 -1.111 -3.165 15 HB2 LYS 2 2HB LYS 2 -0.266 -1.991 -2.407 16 HB3 LYS 2 1HB LYS 2 0.907 -1.915 -1.101 17 HG2 LYS 2 2HG LYS 2 -0.220 0.262 -0.368 18 HG3 LYS 2 1HG LYS 2 -1.490 -0.097 -1.545 19 HD2 LYS 2 2HD LYS 2 -1.796 -2.336 -0.338 20 HD3 LYS 2 1HD LYS 2 -0.722 -1.719 0.922 21 HE2 LYS 2 2HE LYS 2 -3.050 -1.399 1.596 22 HE3 LYS 2 1HE LYS 2 -2.310 0.174 1.285 23 HZ1 LYS 2 1HZ LYS 2 -4.557 -0.076 0.331 24 HZ2 LYS 2 2HZ LYS 2 -3.979 -1.303 -0.677 25 HZ3 LYS 2 3HZ LYS 2 -3.390 0.271 -0.839 26 H TRP 3 H TRP 3 1.179 -0.771 -5.158 27 HA TRP 3 HA TRP 3 -0.034 1.834 -5.828 28 HB2 TRP 3 2HB TRP 3 1.012 1.396 -8.103 29 HB3 TRP 3 1HB TRP 3 2.184 1.507 -6.794 30 HD1 TRP 3 HD1 TRP 3 0.780 -0.999 -9.342 31 HE1 TRP 3 HE1 TRP 3 2.209 -3.136 -9.292 32 HE3 TRP 3 HE3 TRP 3 3.671 0.023 -5.238 33 HZ2 TRP 3 HZ2 TRP 3 4.274 -4.244 -7.744 34 HZ3 TRP 3 HZ3 TRP 3 5.352 -1.632 -4.533 35 HH2 TRP 3 HH2 TRP 3 5.646 -3.727 -5.764 36 H GLU 4 H GLU 4 -1.629 -0.524 -4.947 37 HA GLU 4 HA GLU 4 -2.737 -2.049 -7.024 38 HB2 GLU 4 2HB GLU 4 -4.061 -1.143 -4.431 39 HB3 GLU 4 1HB GLU 4 -4.608 -2.478 -5.446 40 HG2 GLU 4 2HG GLU 4 -2.528 -3.706 -4.970 41 HG3 GLU 4 1HG GLU 4 -1.942 -2.354 -4.001 42 H GLU 5 H GLU 5 -4.093 0.839 -5.450 43 HA GLU 5 HA GLU 5 -6.372 1.237 -7.023 44 HB2 GLU 5 2HB GLU 5 -4.680 3.314 -5.572 45 HB3 GLU 5 1HB GLU 5 -6.340 3.553 -6.115 46 HG2 GLU 5 2HG GLU 5 -7.143 1.869 -4.553 47 HG3 GLU 5 1HG GLU 5 -5.499 1.464 -4.074 48 H ILE 6 H ILE 6 -3.095 2.461 -7.382 49 HA ILE 6 HA ILE 6 -3.634 4.390 -9.414 50 HB ILE 6 HB ILE 6 -0.943 3.199 -8.603 51 HG12 ILE 6 2HG1 ILE 6 -2.123 4.097 -6.601 52 HG13 ILE 6 1HG1 ILE 6 -0.725 5.088 -6.996 53 HG21 ILE 6 1HG2 ILE 6 -1.552 5.874 -9.923 54 HG22 ILE 6 2HG2 ILE 6 -0.848 4.472 -10.718 55 HG23 ILE 6 3HG2 ILE 6 0.046 5.295 -9.445 56 HD11 ILE 6 1HD1 ILE 6 -3.602 5.762 -7.619 57 HD12 ILE 6 2HD1 ILE 6 -2.196 6.760 -8.006 58 HD13 ILE 6 3HD1 ILE 6 -2.615 6.442 -6.324 59 H ALA 7 H ALA 7 -2.591 1.034 -9.428 60 HA ALA 7 HA ALA 7 -2.053 0.948 -12.309 61 HB1 ALA 7 1HB ALA 7 -1.307 -1.357 -11.882 62 HB2 ALA 7 2HB ALA 7 -1.875 -1.245 -10.213 63 HB3 ALA 7 3HB ALA 7 -0.536 -0.234 -10.757 64 H GLU 8 H GLU 8 -4.690 0.445 -10.177 65 HA GLU 8 HA GLU 8 -6.041 -1.652 -11.602 66 HB2 GLU 8 2HB GLU 8 -6.424 -1.212 -9.163 67 HB3 GLU 8 1HB GLU 8 -7.207 0.305 -9.577 68 HG2 GLU 8 2HG GLU 8 -8.912 -1.328 -9.106 69 HG3 GLU 8 1HG GLU 8 -8.955 -0.969 -10.828 70 H ARG 9 H ARG 9 -7.033 1.780 -11.084 71 HA ARG 9 HA ARG 9 -8.991 1.758 -13.118 72 HB2 ARG 9 2HB ARG 9 -7.637 4.107 -11.748 73 HB3 ARG 9 1HB ARG 9 -8.907 4.310 -12.943 74 HG2 ARG 9 2HG ARG 9 -10.106 4.464 -10.967 75 HG3 ARG 9 1HG ARG 9 -10.327 2.765 -11.385 76 HD2 ARG 9 2HD ARG 9 -9.860 2.897 -9.031 77 HD3 ARG 9 1HD ARG 9 -8.436 2.206 -9.812 78 HE ARG 9 HE ARG 9 -7.605 4.648 -9.758 79 HH11 ARG 9 1HH1 ARG 9 -9.396 3.111 -7.175 80 HH12 ARG 9 2HH1 ARG 9 -8.763 4.171 -5.962 81 HH21 ARG 9 1HH2 ARG 9 -6.788 6.004 -8.158 82 HH22 ARG 9 2HH2 ARG 9 -7.308 5.816 -6.512 83 H LEU 10 H LEU 10 -5.563 2.552 -13.184 84 HA LEU 10 HA LEU 10 -5.331 4.177 -15.402 85 HB2 LEU 10 2HB LEU 10 -3.480 3.647 -13.828 86 HB3 LEU 10 1HB LEU 10 -3.366 2.036 -14.517 87 HG LEU 10 HG LEU 10 -2.673 3.006 -16.702 88 HD11 LEU 10 1HD1 LEU 10 -2.735 5.695 -15.296 89 HD12 LEU 10 2HD1 LEU 10 -3.804 5.167 -16.598 90 HD13 LEU 10 3HD1 LEU 10 -2.084 5.384 -16.909 91 HD21 LEU 10 1HD2 LEU 10 -0.938 3.910 -14.377 92 HD22 LEU 10 2HD2 LEU 10 -0.405 3.705 -16.047 93 HD23 LEU 10 3HD2 LEU 10 -0.939 2.305 -15.118 94 H ARG 11 H ARG 11 -5.469 0.623 -15.348 95 HA ARG 11 HA ARG 11 -4.758 0.055 -18.004 96 HB2 ARG 11 2HB ARG 11 -4.897 -1.679 -16.261 97 HB3 ARG 11 1HB ARG 11 -6.642 -1.464 -16.165 98 HG2 ARG 11 2HG ARG 11 -6.668 -2.163 -18.675 99 HG3 ARG 11 1HG ARG 11 -5.021 -2.733 -18.402 100 HD2 ARG 11 2HD ARG 11 -6.684 -4.556 -18.196 101 HD3 ARG 11 1HD ARG 11 -5.844 -4.281 -16.668 102 HE ARG 11 HE ARG 11 -7.817 -3.602 -15.709 103 HH11 ARG 11 1HH1 ARG 11 -8.372 -3.674 -19.203 104 HH12 ARG 11 2HH1 ARG 11 -10.086 -3.463 -19.037 105 HH21 ARG 11 1HH2 ARG 11 -10.054 -3.297 -15.547 106 HH22 ARG 11 2HH2 ARG 11 -11.031 -3.261 -16.981 107 H GLU 12 H GLU 12 -7.877 0.915 -16.597 108 HA GLU 12 HA GLU 12 -9.212 0.718 -19.243 109 HB2 GLU 12 2HB GLU 12 -9.892 -0.896 -17.367 110 HB3 GLU 12 1HB GLU 12 -10.533 0.497 -16.506 111 HG2 GLU 12 2HG GLU 12 -12.206 0.874 -18.199 112 HG3 GLU 12 1HG GLU 12 -11.452 -0.300 -19.280 113 H GLU 13 H GLU 13 -7.799 2.962 -17.498 114 HA GLU 13 HA GLU 13 -9.738 5.016 -17.079 115 HB2 GLU 13 2HB GLU 13 -7.568 4.941 -15.875 116 HB3 GLU 13 1HB GLU 13 -6.696 5.168 -17.381 117 HG2 GLU 13 2HG GLU 13 -6.824 7.217 -15.971 118 HG3 GLU 13 1HG GLU 13 -7.492 7.432 -17.594 119 H PHE 14 H PHE 14 -7.495 4.215 -19.694 120 HA PHE 14 HA PHE 14 -8.958 6.052 -21.506 121 HB2 PHE 14 2HB PHE 14 -6.601 6.807 -20.870 122 HB3 PHE 14 1HB PHE 14 -5.986 5.367 -21.671 123 HD1 PHE 14 HD1 PHE 14 -8.404 8.139 -22.457 124 HD2 PHE 14 HD2 PHE 14 -5.114 5.767 -23.826 125 HE1 PHE 14 HE1 PHE 14 -8.374 9.391 -24.569 126 HE2 PHE 14 HE2 PHE 14 -5.095 7.030 -25.940 127 HZ PHE 14 HZ PHE 14 -6.727 8.842 -26.313 128 H ASN 15 H ASN 15 -8.953 3.032 -20.720 129 HA ASN 15 HA ASN 15 -9.175 0.963 -21.589 130 HB2 ASN 15 2HB ASN 15 -11.104 2.059 -22.682 131 HB3 ASN 15 1HB ASN 15 -10.086 2.489 -24.051 132 HD21 ASN 15 1HD2 ASN 15 -11.312 1.340 -25.546 133 HD22 ASN 15 2HD2 ASN 15 -11.362 -0.384 -25.592 134 H ILE 16 H ILE 16 -6.812 1.001 -21.382 135 HA ILE 16 HA ILE 16 -5.307 0.805 -23.939 136 HB ILE 16 HB ILE 16 -3.274 1.316 -22.642 137 HG12 ILE 16 2HG1 ILE 16 -5.110 1.569 -20.202 138 HG13 ILE 16 1HG1 ILE 16 -3.943 0.283 -20.466 139 HG21 ILE 16 1HG2 ILE 16 -3.760 3.682 -22.080 140 HG22 ILE 16 2HG2 ILE 16 -5.487 3.342 -22.142 141 HG23 ILE 16 3HG2 ILE 16 -4.504 3.201 -23.602 142 HD11 ILE 16 1HD1 ILE 16 -3.319 3.193 -19.998 143 HD12 ILE 16 2HD1 ILE 16 -2.128 1.924 -20.292 144 HD13 ILE 16 3HD1 ILE 16 -3.139 1.868 -18.849 145 H ASN 17 H ASN 17 -3.294 -0.719 -23.609 146 HA ASN 17 HA ASN 17 -4.135 -3.347 -22.810 147 HB2 ASN 17 2HB ASN 17 -1.405 -2.252 -23.629 148 HB3 ASN 17 1HB ASN 17 -1.698 -3.954 -23.288 149 HD21 ASN 17 1HD2 ASN 17 -1.139 -4.579 -25.376 150 HD22 ASN 17 2HD2 ASN 17 -2.145 -4.262 -26.747 151 HA PRO 18 HA PRO 18 -2.876 -3.238 -18.438 152 HB2 PRO 18 2HB PRO 18 -2.093 -5.920 -18.175 153 HB3 PRO 18 1HB PRO 18 -3.760 -5.338 -18.038 154 HG2 PRO 18 2HG PRO 18 -2.358 -6.523 -20.433 155 HG3 PRO 18 1HG PRO 18 -3.990 -6.857 -19.817 156 HD2 PRO 18 2HD PRO 18 -3.642 -5.254 -21.925 157 HD3 PRO 18 1HD PRO 18 -4.865 -4.848 -20.695 158 H GLU 19 H GLU 19 -0.814 -4.533 -20.996 159 HA GLU 19 HA GLU 19 1.692 -4.545 -19.762 160 HB2 GLU 19 2HB GLU 19 1.286 -5.495 -22.000 161 HB3 GLU 19 1HB GLU 19 0.990 -3.887 -22.648 162 HG2 GLU 19 2HG GLU 19 3.317 -3.249 -22.274 163 HG3 GLU 19 1HG GLU 19 3.650 -4.784 -21.479 164 H GLU 20 H GLU 20 0.031 -1.881 -21.496 165 HA GLU 20 HA GLU 20 1.989 0.126 -21.212 166 HB2 GLU 20 2HB GLU 20 -1.022 0.643 -21.180 167 HB3 GLU 20 1HB GLU 20 0.246 1.747 -21.710 168 HG2 GLU 20 2HG GLU 20 -0.749 -0.751 -23.104 169 HG3 GLU 20 1HG GLU 20 -0.936 0.916 -23.634 170 H ALA 21 H ALA 21 -0.685 -0.889 -19.145 171 HA ALA 21 HA ALA 21 -0.380 1.143 -17.139 172 HB1 ALA 21 1HB ALA 21 -2.559 0.115 -17.669 173 HB2 ALA 21 2HB ALA 21 -2.155 -0.081 -15.963 174 HB3 ALA 21 3HB ALA 21 -1.973 -1.442 -17.077 175 H ARG 22 H ARG 22 1.676 -1.433 -17.736 176 HA ARG 22 HA ARG 22 2.281 -1.991 -14.903 177 HB2 ARG 22 2HB ARG 22 3.624 -3.121 -17.404 178 HB3 ARG 22 1HB ARG 22 3.995 -3.590 -15.752 179 HG2 ARG 22 2HG ARG 22 1.424 -4.142 -17.268 180 HG3 ARG 22 1HG ARG 22 2.667 -5.304 -16.820 181 HD2 ARG 22 2HD ARG 22 0.922 -5.677 -15.264 182 HD3 ARG 22 1HD ARG 22 2.093 -4.706 -14.365 183 HE ARG 22 HE ARG 22 0.314 -2.921 -15.508 184 HH11 ARG 22 1HH1 ARG 22 0.023 -5.541 -13.196 185 HH12 ARG 22 2HH1 ARG 22 -1.289 -4.787 -12.349 186 HH21 ARG 22 1HH2 ARG 22 -1.347 -1.931 -14.368 187 HH22 ARG 22 2HH2 ARG 22 -2.070 -2.746 -13.018 188 H GLU 23 H GLU 23 4.051 -0.880 -17.833 189 HA GLU 23 HA GLU 23 6.325 0.010 -16.303 190 HB2 GLU 23 2HB GLU 23 5.622 0.300 -19.240 191 HB3 GLU 23 1HB GLU 23 7.082 0.991 -18.556 192 HG2 GLU 23 2HG GLU 23 7.657 -1.078 -19.611 193 HG3 GLU 23 1HG GLU 23 7.811 -1.284 -17.864 194 H ALA 24 H ALA 24 3.456 1.568 -17.620 195 HA ALA 24 HA ALA 24 4.373 4.261 -17.374 196 HB1 ALA 24 1HB ALA 24 2.051 4.920 -17.753 197 HB2 ALA 24 2HB ALA 24 1.518 3.254 -17.500 198 HB3 ALA 24 3HB ALA 24 2.537 3.654 -18.882 199 H VAL 25 H VAL 25 2.465 2.144 -15.207 200 HA VAL 25 HA VAL 25 1.992 4.134 -13.209 201 HB VAL 25 HB VAL 25 0.624 2.017 -13.441 202 HG11 VAL 25 1HG1 VAL 25 2.964 0.637 -12.071 203 HG12 VAL 25 2HG1 VAL 25 2.424 0.355 -13.725 204 HG13 VAL 25 3HG1 VAL 25 1.379 -0.082 -12.373 205 HG21 VAL 25 1HG2 VAL 25 0.427 3.416 -11.442 206 HG22 VAL 25 2HG2 VAL 25 1.757 2.548 -10.674 207 HG23 VAL 25 3HG2 VAL 25 0.241 1.712 -11.015 208 H GLU 26 H GLU 26 4.526 1.810 -13.812 209 HA GLU 26 HA GLU 26 6.009 1.992 -11.409 210 HB2 GLU 26 2HB GLU 26 6.233 0.178 -13.077 211 HB3 GLU 26 1HB GLU 26 6.841 1.327 -14.261 212 HG2 GLU 26 2HG GLU 26 8.834 1.710 -12.768 213 HG3 GLU 26 1HG GLU 26 8.236 0.412 -11.728 214 H LYS 27 H LYS 27 6.267 3.657 -14.539 215 HA LYS 27 HA LYS 27 8.495 5.333 -13.924 216 HB2 LYS 27 2HB LYS 27 7.518 4.515 -16.232 217 HB3 LYS 27 1HB LYS 27 6.452 5.904 -16.106 218 HG2 LYS 27 2HG LYS 27 9.479 6.124 -16.029 219 HG3 LYS 27 1HG LYS 27 8.558 6.148 -17.532 220 HD2 LYS 27 2HD LYS 27 7.341 8.170 -16.702 221 HD3 LYS 27 1HD LYS 27 8.361 8.166 -15.261 222 HE2 LYS 27 2HE LYS 27 10.355 8.491 -16.679 223 HE3 LYS 27 1HE LYS 27 9.332 8.491 -18.120 224 HZ1 LYS 27 1HZ LYS 27 9.838 10.721 -17.450 225 HZ2 LYS 27 2HZ LYS 27 9.239 10.444 -15.895 226 HZ3 LYS 27 3HZ LYS 27 8.190 10.430 -17.214 227 H ALA 28 H ALA 28 5.023 5.605 -13.604 228 HA ALA 28 HA ALA 28 4.928 8.398 -12.886 229 HB1 ALA 28 1HB ALA 28 2.565 7.963 -12.403 230 HB2 ALA 28 2HB ALA 28 2.838 6.222 -12.543 231 HB3 ALA 28 3HB ALA 28 3.020 7.260 -13.959 232 H GLY 29 H GLY 29 5.925 5.626 -11.236 233 HA2 GLY 29 2HA GLY 29 6.593 5.279 -9.066 234 HA3 GLY 29 1HA GLY 29 6.114 6.923 -8.669 235 H GLY 30 H GLY 30 3.756 7.304 -8.476 236 HA2 GLY 30 2HA GLY 30 1.890 5.136 -8.219 237 HA3 GLY 30 1HA GLY 30 2.370 5.787 -6.652 238 H ASN 31 H ASN 31 1.891 7.423 -9.779 239 HA ASN 31 HA ASN 31 -0.403 8.943 -8.680 240 HB2 ASN 31 2HB ASN 31 1.960 10.181 -10.165 241 HB3 ASN 31 1HB ASN 31 0.488 11.040 -9.735 242 HD21 ASN 31 1HD2 ASN 31 0.103 11.573 -7.538 243 HD22 ASN 31 2HD2 ASN 31 1.375 11.544 -6.368 244 H GLU 32 H GLU 32 -2.106 8.795 -9.986 245 HA GLU 32 HA GLU 32 -1.995 7.735 -12.658 246 HB2 GLU 32 2HB GLU 32 -4.277 8.845 -10.974 247 HB3 GLU 32 1HB GLU 32 -4.497 8.101 -12.561 248 HG2 GLU 32 2HG GLU 32 -3.752 5.965 -11.779 249 HG3 GLU 32 1HG GLU 32 -3.122 6.658 -10.290 250 H GLU 33 H GLU 33 -2.451 10.941 -11.208 251 HA GLU 33 HA GLU 33 -2.936 12.420 -13.588 252 HB2 GLU 33 2HB GLU 33 -1.637 13.372 -10.998 253 HB3 GLU 33 1HB GLU 33 -2.303 14.416 -12.260 254 HG2 GLU 33 2HG GLU 33 -3.850 12.466 -10.524 255 HG3 GLU 33 1HG GLU 33 -3.837 14.225 -10.371 256 H GLU 34 H GLU 34 -0.077 10.934 -12.437 257 HA GLU 34 HA GLU 34 1.695 12.466 -14.201 258 HB2 GLU 34 2HB GLU 34 2.464 11.759 -11.931 259 HB3 GLU 34 1HB GLU 34 2.255 10.077 -12.390 260 HG2 GLU 34 2HG GLU 34 4.608 10.764 -12.445 261 HG3 GLU 34 1HG GLU 34 4.034 10.258 -14.031 262 H ALA 35 H ALA 35 0.334 9.209 -13.781 263 HA ALA 35 HA ALA 35 1.642 7.926 -15.933 264 HB1 ALA 35 1HB ALA 35 0.663 6.700 -14.031 265 HB2 ALA 35 2HB ALA 35 0.053 6.096 -15.573 266 HB3 ALA 35 3HB ALA 35 -0.956 7.150 -14.576 267 H ARG 36 H ARG 36 -1.242 9.914 -15.862 268 HA ARG 36 HA ARG 36 -2.661 9.011 -18.104 269 HB2 ARG 36 2HB ARG 36 -3.716 11.267 -18.147 270 HB3 ARG 36 1HB ARG 36 -3.645 10.594 -16.520 271 HG2 ARG 36 2HG ARG 36 -1.684 12.015 -16.007 272 HG3 ARG 36 1HG ARG 36 -1.733 12.680 -17.641 273 HD2 ARG 36 2HD ARG 36 -3.932 13.682 -17.196 274 HD3 ARG 36 1HD ARG 36 -3.955 12.967 -15.578 275 HE ARG 36 HE ARG 36 -1.622 14.476 -15.755 276 HH11 ARG 36 1HH1 ARG 36 -5.066 15.176 -15.864 277 HH12 ARG 36 2HH1 ARG 36 -4.883 16.744 -15.147 278 HH21 ARG 36 1HH2 ARG 36 -1.409 16.500 -14.808 279 HH22 ARG 36 2HH2 ARG 36 -2.808 17.493 -14.565 280 H ARG 37 H ARG 37 0.235 10.992 -17.966 281 HA ARG 37 HA ARG 37 0.162 11.555 -20.877 282 HB2 ARG 37 2HB ARG 37 1.895 13.303 -20.356 283 HB3 ARG 37 1HB ARG 37 0.355 13.576 -19.548 284 HG2 ARG 37 2HG ARG 37 1.335 12.571 -17.462 285 HG3 ARG 37 1HG ARG 37 2.896 12.485 -18.284 286 HD2 ARG 37 2HD ARG 37 2.721 14.476 -16.819 287 HD3 ARG 37 1HD ARG 37 2.934 14.925 -18.512 288 HE ARG 37 HE ARG 37 0.273 15.017 -18.302 289 HH11 ARG 37 1HH1 ARG 37 2.683 16.386 -16.165 290 HH12 ARG 37 2HH1 ARG 37 1.681 17.724 -15.707 291 HH21 ARG 37 1HH2 ARG 37 -1.029 16.762 -17.687 292 HH22 ARG 37 2HH2 ARG 37 -0.416 17.937 -16.561 293 H ILE 38 H ILE 38 1.555 9.400 -18.695 294 HA ILE 38 HA ILE 38 4.080 9.043 -20.144 295 HB ILE 38 HB ILE 38 2.923 7.492 -17.785 296 HG12 ILE 38 2HG1 ILE 38 5.091 9.639 -17.850 297 HG13 ILE 38 1HG1 ILE 38 3.455 9.864 -17.237 298 HG21 ILE 38 1HG2 ILE 38 4.512 6.081 -19.048 299 HG22 ILE 38 2HG2 ILE 38 5.181 6.535 -17.483 300 HG23 ILE 38 3HG2 ILE 38 5.737 7.351 -18.944 301 HD11 ILE 38 1HD1 ILE 38 5.055 9.590 -15.443 302 HD12 ILE 38 2HD1 ILE 38 5.542 8.019 -16.077 303 HD13 ILE 38 3HD1 ILE 38 3.906 8.255 -15.460 304 H VAL 39 H VAL 39 0.981 7.364 -19.662 305 HA VAL 39 HA VAL 39 1.492 5.005 -21.112 306 HB VAL 39 HB VAL 39 -1.156 6.505 -20.790 307 HG11 VAL 39 1HG1 VAL 39 -1.307 4.997 -22.724 308 HG12 VAL 39 2HG1 VAL 39 -2.270 4.366 -21.392 309 HG13 VAL 39 3HG1 VAL 39 -0.701 3.650 -21.756 310 HG21 VAL 39 1HG2 VAL 39 -0.182 5.788 -18.635 311 HG22 VAL 39 2HG2 VAL 39 -0.073 4.130 -19.225 312 HG23 VAL 39 3HG2 VAL 39 -1.653 4.881 -18.997 313 H LYS 40 H LYS 40 -0.098 8.017 -22.137 314 HA LYS 40 HA LYS 40 0.726 7.661 -24.910 315 HB2 LYS 40 2HB LYS 40 -1.478 6.407 -24.554 316 HB3 LYS 40 1HB LYS 40 -2.226 7.949 -24.169 317 HG2 LYS 40 2HG LYS 40 -2.706 7.314 -26.473 318 HG3 LYS 40 1HG LYS 40 -1.717 8.778 -26.430 319 HD2 LYS 40 2HD LYS 40 0.283 7.523 -27.037 320 HD3 LYS 40 1HD LYS 40 -0.577 5.988 -26.880 321 HE2 LYS 40 2HE LYS 40 -1.179 8.134 -28.954 322 HE3 LYS 40 1HE LYS 40 -0.289 6.637 -29.249 323 HZ1 LYS 40 1HZ LYS 40 -3.120 6.833 -28.366 324 HZ2 LYS 40 2HZ LYS 40 -2.276 5.390 -28.618 325 HZ3 LYS 40 3HZ LYS 40 -2.593 6.423 -29.920 326 H LYS 41 H LYS 41 1.867 9.542 -24.835 327 HA LYS 41 HA LYS 41 0.703 12.042 -23.893 328 HB2 LYS 41 2HB LYS 41 2.876 13.038 -24.536 329 HB3 LYS 41 1HB LYS 41 3.099 11.628 -23.511 330 HG2 LYS 41 2HG LYS 41 3.770 10.277 -25.434 331 HG3 LYS 41 1HG LYS 41 3.424 11.615 -26.537 332 HD2 LYS 41 2HD LYS 41 5.206 12.957 -25.439 333 HD3 LYS 41 1HD LYS 41 5.565 11.600 -24.367 334 HE2 LYS 41 2HE LYS 41 5.816 11.522 -27.397 335 HE3 LYS 41 1HE LYS 41 7.154 11.814 -26.289 336 HZ1 LYS 41 1HZ LYS 41 6.743 9.633 -25.307 337 HZ2 LYS 41 2HZ LYS 41 7.103 9.527 -26.953 338 HZ3 LYS 41 3HZ LYS 41 5.508 9.351 -26.428 339 H ARG 42 H ARG 42 0.368 13.868 -25.284 340 HA ARG 42 HA ARG 42 -0.716 13.191 -27.909 341 HB2 ARG 42 2HB ARG 42 -2.046 14.545 -26.295 342 HB3 ARG 42 1HB ARG 42 -0.796 15.782 -26.291 343 HG2 ARG 42 2HG ARG 42 -1.254 16.304 -28.631 344 HG3 ARG 42 1HG ARG 42 -2.423 14.989 -28.726 345 HD2 ARG 42 2HD ARG 42 -3.899 16.142 -27.151 346 HD3 ARG 42 1HD ARG 42 -2.703 17.423 -26.926 347 HE ARG 42 HE ARG 42 -3.027 18.034 -29.273 348 HH11 ARG 42 1HH1 ARG 42 -5.571 16.032 -27.870 349 HH12 ARG 42 2HH1 ARG 42 -6.771 16.584 -28.997 350 HH21 ARG 42 1HH2 ARG 42 -4.619 18.720 -30.727 351 HH22 ARG 42 2HH2 ARG 42 -6.234 18.103 -30.591 352 H LEU 43 H LEU 43 1.626 12.685 -28.471 353 HA LEU 43 HA LEU 43 3.643 13.007 -29.385 354 HB2 LEU 43 2HB LEU 43 2.073 15.219 -30.736 355 HB3 LEU 43 1HB LEU 43 3.768 14.967 -31.110 356 HG LEU 43 HG LEU 43 3.206 12.605 -31.822 357 HD11 LEU 43 1HD1 LEU 43 1.114 12.262 -30.598 358 HD12 LEU 43 2HD1 LEU 43 0.891 11.979 -32.322 359 HD13 LEU 43 3HD1 LEU 43 0.313 13.479 -31.592 360 HD21 LEU 43 1HD2 LEU 43 3.519 14.365 -33.485 361 HD22 LEU 43 2HD2 LEU 43 1.818 14.823 -33.364 362 HD23 LEU 43 3HD2 LEU 43 2.264 13.241 -34.008 Start of MODEL 8 1 HA ARG 1 HA ARG 1 5.659 -1.894 -6.014 2 HB2 ARG 1 2HB ARG 1 5.438 -4.317 -5.290 3 HB3 ARG 1 1HB ARG 1 6.714 -3.409 -4.503 4 HG2 ARG 1 2HG ARG 1 5.790 -4.713 -2.781 5 HG3 ARG 1 1HG ARG 1 5.103 -3.113 -2.521 6 HD2 ARG 1 2HD ARG 1 3.001 -3.866 -3.625 7 HD3 ARG 1 1HD ARG 1 3.703 -5.479 -3.823 8 HE ARG 1 HE ARG 1 3.882 -4.819 -1.121 9 HH11 ARG 1 1HH1 ARG 1 1.314 -5.423 -3.434 10 HH12 ARG 1 2HH1 ARG 1 0.203 -5.988 -2.229 11 HH21 ARG 1 1HH2 ARG 1 2.420 -5.561 0.440 12 HH22 ARG 1 2HH2 ARG 1 0.825 -6.056 -0.031 13 H LYS 2 H LYS 2 3.063 -0.559 -4.849 14 HA LYS 2 HA LYS 2 1.020 -2.473 -5.728 15 HB2 LYS 2 2HB LYS 2 -0.612 -0.872 -4.786 16 HB3 LYS 2 1HB LYS 2 0.595 -1.352 -3.600 17 HG2 LYS 2 2HG LYS 2 1.748 0.783 -3.830 18 HG3 LYS 2 1HG LYS 2 0.674 1.264 -5.144 19 HD2 LYS 2 2HD LYS 2 -1.245 1.209 -3.547 20 HD3 LYS 2 1HD LYS 2 -0.123 0.817 -2.242 21 HE2 LYS 2 2HE LYS 2 1.015 2.975 -2.558 22 HE3 LYS 2 1HE LYS 2 -0.049 3.355 -3.916 23 HZ1 LYS 2 1HZ LYS 2 -0.888 2.969 -1.098 24 HZ2 LYS 2 2HZ LYS 2 -1.925 3.291 -2.391 25 HZ3 LYS 2 3HZ LYS 2 -0.791 4.448 -1.915 26 H TRP 3 H TRP 3 2.357 -1.971 -7.922 27 HA TRP 3 HA TRP 3 1.436 0.340 -9.422 28 HB2 TRP 3 2HB TRP 3 2.737 -0.689 -11.292 29 HB3 TRP 3 1HB TRP 3 3.687 -0.546 -9.822 30 HD1 TRP 3 HD1 TRP 3 1.720 -3.317 -11.753 31 HE1 TRP 3 HE1 TRP 3 2.929 -5.546 -11.395 32 HE3 TRP 3 HE3 TRP 3 5.372 -1.765 -8.515 33 HZ2 TRP 3 HZ2 TRP 3 5.122 -6.535 -9.952 34 HZ3 TRP 3 HZ3 TRP 3 6.993 -3.427 -7.693 35 HH2 TRP 3 HH2 TRP 3 6.870 -5.765 -8.399 36 H GLU 4 H GLU 4 -0.572 -1.656 -8.397 37 HA GLU 4 HA GLU 4 -2.006 -2.319 -10.877 38 HB2 GLU 4 2HB GLU 4 -1.245 -4.342 -9.673 39 HB3 GLU 4 1HB GLU 4 -1.993 -3.763 -8.188 40 HG2 GLU 4 2HG GLU 4 -4.223 -3.915 -9.285 41 HG3 GLU 4 1HG GLU 4 -3.445 -4.572 -10.726 42 H GLU 5 H GLU 5 -2.266 -1.376 -7.446 43 HA GLU 5 HA GLU 5 -4.934 -0.443 -7.410 44 HB2 GLU 5 2HB GLU 5 -3.599 -0.825 -5.346 45 HB3 GLU 5 1HB GLU 5 -2.539 0.511 -5.778 46 HG2 GLU 5 2HG GLU 5 -4.603 2.022 -5.664 47 HG3 GLU 5 1HG GLU 5 -5.458 0.660 -4.946 48 H ILE 6 H ILE 6 -1.885 1.082 -8.228 49 HA ILE 6 HA ILE 6 -3.020 3.712 -8.697 50 HB ILE 6 HB ILE 6 -0.208 2.726 -9.327 51 HG12 ILE 6 2HG1 ILE 6 -1.153 3.980 -6.699 52 HG13 ILE 6 1HG1 ILE 6 -0.779 2.273 -6.914 53 HG21 ILE 6 1HG2 ILE 6 0.447 5.100 -9.065 54 HG22 ILE 6 2HG2 ILE 6 -1.237 5.534 -8.764 55 HG23 ILE 6 3HG2 ILE 6 -0.757 4.903 -10.338 56 HD11 ILE 6 1HD1 ILE 6 1.172 4.551 -7.225 57 HD12 ILE 6 2HD1 ILE 6 1.548 2.831 -7.386 58 HD13 ILE 6 3HD1 ILE 6 1.033 3.480 -5.829 59 H ALA 7 H ALA 7 -2.832 0.852 -10.481 60 HA ALA 7 HA ALA 7 -3.103 2.199 -13.099 61 HB1 ALA 7 1HB ALA 7 -1.484 0.334 -12.999 62 HB2 ALA 7 2HB ALA 7 -2.826 -0.038 -14.081 63 HB3 ALA 7 3HB ALA 7 -2.766 -0.759 -12.471 64 H GLU 8 H GLU 8 -5.095 1.780 -10.665 65 HA GLU 8 HA GLU 8 -7.245 0.131 -11.497 66 HB2 GLU 8 2HB GLU 8 -6.895 0.914 -9.158 67 HB3 GLU 8 1HB GLU 8 -7.242 2.564 -9.647 68 HG2 GLU 8 2HG GLU 8 -9.180 1.719 -8.543 69 HG3 GLU 8 1HG GLU 8 -9.569 1.849 -10.257 70 H ARG 9 H ARG 9 -7.100 3.697 -11.434 71 HA ARG 9 HA ARG 9 -9.306 4.116 -13.206 72 HB2 ARG 9 2HB ARG 9 -8.279 5.689 -11.329 73 HB3 ARG 9 1HB ARG 9 -7.185 6.223 -12.593 74 HG2 ARG 9 2HG ARG 9 -10.222 6.425 -12.722 75 HG3 ARG 9 1HG ARG 9 -9.154 7.728 -12.206 76 HD2 ARG 9 2HD ARG 9 -8.176 7.862 -14.433 77 HD3 ARG 9 1HD ARG 9 -9.091 6.457 -14.971 78 HE ARG 9 HE ARG 9 -9.984 9.154 -14.876 79 HH11 ARG 9 1HH1 ARG 9 -11.220 5.852 -14.498 80 HH12 ARG 9 2HH1 ARG 9 -12.831 6.294 -14.955 81 HH21 ARG 9 1HH2 ARG 9 -12.080 9.670 -15.520 82 HH22 ARG 9 2HH2 ARG 9 -13.320 8.461 -15.531 83 H LEU 10 H LEU 10 -5.830 3.858 -13.520 84 HA LEU 10 HA LEU 10 -5.415 5.256 -15.918 85 HB2 LEU 10 2HB LEU 10 -3.717 4.655 -14.142 86 HB3 LEU 10 1HB LEU 10 -3.743 3.007 -14.720 87 HG LEU 10 HG LEU 10 -1.759 4.520 -15.422 88 HD11 LEU 10 1HD1 LEU 10 -3.214 3.053 -17.629 89 HD12 LEU 10 2HD1 LEU 10 -2.107 2.343 -16.452 90 HD13 LEU 10 3HD1 LEU 10 -1.507 3.513 -17.622 91 HD21 LEU 10 1HD2 LEU 10 -3.094 6.488 -16.012 92 HD22 LEU 10 2HD2 LEU 10 -3.799 5.614 -17.376 93 HD23 LEU 10 3HD2 LEU 10 -2.069 5.964 -17.344 94 H ARG 11 H ARG 11 -5.729 1.726 -15.368 95 HA ARG 11 HA ARG 11 -5.531 0.987 -18.122 96 HB2 ARG 11 2HB ARG 11 -5.041 -0.461 -16.034 97 HB3 ARG 11 1HB ARG 11 -6.771 -0.690 -15.889 98 HG2 ARG 11 2HG ARG 11 -5.181 -1.538 -18.344 99 HG3 ARG 11 1HG ARG 11 -5.451 -2.591 -16.958 100 HD2 ARG 11 2HD ARG 11 -7.576 -1.452 -18.812 101 HD3 ARG 11 1HD ARG 11 -7.048 -3.131 -18.722 102 HE ARG 11 HE ARG 11 -7.929 -2.977 -16.308 103 HH11 ARG 11 1HH1 ARG 11 -9.440 -1.261 -19.005 104 HH12 ARG 11 2HH1 ARG 11 -11.015 -1.269 -18.272 105 HH21 ARG 11 1HH2 ARG 11 -10.002 -2.973 -15.383 106 HH22 ARG 11 2HH2 ARG 11 -11.329 -2.223 -16.218 107 H GLU 12 H GLU 12 -8.197 1.874 -16.008 108 HA GLU 12 HA GLU 12 -10.274 0.624 -17.516 109 HB2 GLU 12 2HB GLU 12 -10.358 1.117 -15.027 110 HB3 GLU 12 1HB GLU 12 -10.582 2.816 -15.426 111 HG2 GLU 12 2HG GLU 12 -12.733 1.793 -14.922 112 HG3 GLU 12 1HG GLU 12 -12.682 2.260 -16.623 113 H GLU 13 H GLU 13 -9.347 4.041 -17.067 114 HA GLU 13 HA GLU 13 -11.217 5.065 -18.965 115 HB2 GLU 13 2HB GLU 13 -10.429 6.455 -17.120 116 HB3 GLU 13 1HB GLU 13 -8.766 6.328 -17.674 117 HG2 GLU 13 2HG GLU 13 -9.262 7.657 -19.651 118 HG3 GLU 13 1HG GLU 13 -10.982 7.660 -19.269 119 H PHE 14 H PHE 14 -7.638 4.841 -19.034 120 HA PHE 14 HA PHE 14 -7.537 5.192 -21.924 121 HB2 PHE 14 2HB PHE 14 -5.346 4.679 -19.860 122 HB3 PHE 14 1HB PHE 14 -5.046 4.900 -21.584 123 HD1 PHE 14 HD1 PHE 14 -5.374 7.092 -22.653 124 HD2 PHE 14 HD2 PHE 14 -5.981 6.601 -18.445 125 HE1 PHE 14 HE1 PHE 14 -5.340 9.531 -22.362 126 HE2 PHE 14 HE2 PHE 14 -5.936 9.045 -18.166 127 HZ PHE 14 HZ PHE 14 -5.621 10.510 -20.120 128 H ASN 15 H ASN 15 -8.455 3.524 -22.903 129 HA ASN 15 HA ASN 15 -8.402 0.795 -22.183 130 HB2 ASN 15 2HB ASN 15 -8.995 2.142 -24.860 131 HB3 ASN 15 1HB ASN 15 -9.271 0.432 -24.543 132 HD21 ASN 15 1HD2 ASN 15 -11.006 -0.178 -23.259 133 HD22 ASN 15 2HD2 ASN 15 -12.248 0.925 -22.787 134 H ILE 16 H ILE 16 -6.302 0.152 -21.815 135 HA ILE 16 HA ILE 16 -4.560 -0.311 -24.165 136 HB ILE 16 HB ILE 16 -2.543 0.246 -22.802 137 HG12 ILE 16 2HG1 ILE 16 -4.555 1.155 -20.675 138 HG13 ILE 16 1HG1 ILE 16 -3.377 -0.143 -20.521 139 HG21 ILE 16 1HG2 ILE 16 -2.699 2.693 -22.877 140 HG22 ILE 16 2HG2 ILE 16 -4.460 2.609 -22.959 141 HG23 ILE 16 3HG2 ILE 16 -3.481 1.991 -24.292 142 HD11 ILE 16 1HD1 ILE 16 -1.567 1.543 -20.659 143 HD12 ILE 16 2HD1 ILE 16 -2.647 1.767 -19.284 144 HD13 ILE 16 3HD1 ILE 16 -2.799 2.809 -20.696 145 H ASN 17 H ASN 17 -2.792 -1.908 -23.576 146 HA ASN 17 HA ASN 17 -3.859 -4.273 -22.345 147 HB2 ASN 17 2HB ASN 17 -1.103 -3.595 -23.466 148 HB3 ASN 17 1HB ASN 17 -1.506 -5.176 -22.806 149 HD21 ASN 17 1HD2 ASN 17 -0.681 -4.608 -25.476 150 HD22 ASN 17 2HD2 ASN 17 -1.957 -5.093 -26.531 151 HA PRO 18 HA PRO 18 -2.564 -3.853 -18.086 152 HB2 PRO 18 2HB PRO 18 -1.487 -6.661 -18.290 153 HB3 PRO 18 1HB PRO 18 -2.603 -5.967 -17.103 154 HG2 PRO 18 2HG PRO 18 -3.526 -7.549 -19.041 155 HG3 PRO 18 1HG PRO 18 -4.442 -6.100 -18.567 156 HD2 PRO 18 2HD PRO 18 -2.662 -6.526 -20.968 157 HD3 PRO 18 1HD PRO 18 -4.221 -5.675 -20.859 158 H GLU 19 H GLU 19 -0.151 -5.106 -20.382 159 HA GLU 19 HA GLU 19 2.159 -4.657 -18.762 160 HB2 GLU 19 2HB GLU 19 2.166 -6.165 -20.745 161 HB3 GLU 19 1HB GLU 19 1.940 -4.776 -21.803 162 HG2 GLU 19 2HG GLU 19 4.142 -3.875 -21.086 163 HG3 GLU 19 1HG GLU 19 4.367 -5.274 -20.036 164 H GLU 20 H GLU 20 0.464 -2.707 -21.201 165 HA GLU 20 HA GLU 20 2.185 -0.458 -21.288 166 HB2 GLU 20 2HB GLU 20 -0.826 -0.569 -21.791 167 HB3 GLU 20 1HB GLU 20 0.242 0.746 -22.277 168 HG2 GLU 20 2HG GLU 20 0.437 -2.104 -23.302 169 HG3 GLU 20 1HG GLU 20 -0.405 -0.789 -24.127 170 H ALA 21 H ALA 21 -0.646 -1.270 -19.347 171 HA ALA 21 HA ALA 21 -0.920 1.103 -17.860 172 HB1 ALA 21 1HB ALA 21 -2.322 -0.234 -16.336 173 HB2 ALA 21 2HB ALA 21 -1.742 -1.721 -17.092 174 HB3 ALA 21 3HB ALA 21 -2.713 -0.578 -18.021 175 H ARG 22 H ARG 22 0.844 -1.888 -17.256 176 HA ARG 22 HA ARG 22 1.678 -1.348 -14.595 177 HB2 ARG 22 2HB ARG 22 1.450 -3.633 -15.498 178 HB3 ARG 22 1HB ARG 22 2.744 -3.331 -16.653 179 HG2 ARG 22 2HG ARG 22 4.361 -3.112 -14.797 180 HG3 ARG 22 1HG ARG 22 3.061 -3.355 -13.634 181 HD2 ARG 22 2HD ARG 22 3.961 -5.400 -15.689 182 HD3 ARG 22 1HD ARG 22 4.424 -5.395 -13.983 183 HE ARG 22 HE ARG 22 1.559 -5.459 -14.569 184 HH11 ARG 22 1HH1 ARG 22 4.404 -7.269 -13.615 185 HH12 ARG 22 2HH1 ARG 22 3.496 -8.642 -13.063 186 HH21 ARG 22 1HH2 ARG 22 0.369 -7.279 -13.859 187 HH22 ARG 22 2HH2 ARG 22 1.213 -8.648 -13.201 188 H GLU 23 H GLU 23 3.119 -0.742 -17.774 189 HA GLU 23 HA GLU 23 5.705 0.019 -16.745 190 HB2 GLU 23 2HB GLU 23 5.369 -0.834 -19.106 191 HB3 GLU 23 1HB GLU 23 4.564 0.685 -19.490 192 HG2 GLU 23 2HG GLU 23 6.710 1.870 -18.728 193 HG3 GLU 23 1HG GLU 23 7.471 0.282 -18.692 194 H ALA 24 H ALA 24 2.797 1.737 -17.879 195 HA ALA 24 HA ALA 24 3.717 4.374 -17.863 196 HB1 ALA 24 1HB ALA 24 1.345 5.042 -17.760 197 HB2 ALA 24 2HB ALA 24 0.895 3.403 -17.272 198 HB3 ALA 24 3HB ALA 24 1.573 3.690 -18.874 199 H VAL 25 H VAL 25 2.143 2.528 -15.254 200 HA VAL 25 HA VAL 25 2.241 4.596 -13.304 201 HB VAL 25 HB VAL 25 0.595 2.846 -13.040 202 HG11 VAL 25 1HG1 VAL 25 1.161 0.509 -12.519 203 HG12 VAL 25 2HG1 VAL 25 2.880 0.874 -12.694 204 HG13 VAL 25 3HG1 VAL 25 1.810 0.982 -14.090 205 HG21 VAL 25 1HG2 VAL 25 1.411 3.890 -10.959 206 HG22 VAL 25 2HG2 VAL 25 2.647 2.643 -10.800 207 HG23 VAL 25 3HG2 VAL 25 0.941 2.213 -10.675 208 H GLU 26 H GLU 26 4.517 2.007 -14.155 209 HA GLU 26 HA GLU 26 6.207 2.234 -11.866 210 HB2 GLU 26 2HB GLU 26 6.177 0.233 -13.366 211 HB3 GLU 26 1HB GLU 26 6.905 1.198 -14.648 212 HG2 GLU 26 2HG GLU 26 8.914 1.545 -13.233 213 HG3 GLU 26 1HG GLU 26 8.188 0.568 -11.961 214 H LYS 27 H LYS 27 6.195 3.760 -15.048 215 HA LYS 27 HA LYS 27 8.615 5.291 -14.623 216 HB2 LYS 27 2HB LYS 27 6.521 5.491 -16.830 217 HB3 LYS 27 1HB LYS 27 8.096 6.291 -16.837 218 HG2 LYS 27 2HG LYS 27 9.189 4.028 -16.813 219 HG3 LYS 27 1HG LYS 27 7.591 3.291 -16.897 220 HD2 LYS 27 2HD LYS 27 8.553 3.287 -19.120 221 HD3 LYS 27 1HD LYS 27 7.210 4.432 -19.091 222 HE2 LYS 27 2HE LYS 27 8.763 6.309 -18.957 223 HE3 LYS 27 1HE LYS 27 10.135 5.206 -18.818 224 HZ1 LYS 27 1HZ LYS 27 9.861 6.093 -21.052 225 HZ2 LYS 27 2HZ LYS 27 8.330 5.390 -21.156 226 HZ3 LYS 27 3HZ LYS 27 9.703 4.409 -21.025 227 H ALA 28 H ALA 28 5.272 5.663 -13.897 228 HA ALA 28 HA ALA 28 5.166 8.529 -13.699 229 HB1 ALA 28 1HB ALA 28 3.018 8.147 -12.554 230 HB2 ALA 28 2HB ALA 28 3.378 6.422 -12.427 231 HB3 ALA 28 3HB ALA 28 3.135 7.158 -14.011 232 H GLY 29 H GLY 29 5.228 5.925 -11.264 233 HA2 GLY 29 2HA GLY 29 6.876 6.230 -9.387 234 HA3 GLY 29 1HA GLY 29 6.156 7.822 -9.184 235 H GLY 30 H GLY 30 4.147 8.013 -8.177 236 HA2 GLY 30 2HA GLY 30 2.894 5.537 -7.125 237 HA3 GLY 30 1HA GLY 30 3.325 6.864 -6.057 238 H ASN 31 H ASN 31 2.258 8.034 -9.073 239 HA ASN 31 HA ASN 31 -0.440 8.614 -7.977 240 HB2 ASN 31 2HB ASN 31 1.383 10.443 -9.607 241 HB3 ASN 31 1HB ASN 31 -0.304 10.806 -9.243 242 HD21 ASN 31 1HD2 ASN 31 2.903 10.429 -7.895 243 HD22 ASN 31 2HD2 ASN 31 2.588 11.237 -6.403 244 H GLU 32 H GLU 32 -2.150 8.220 -9.246 245 HA GLU 32 HA GLU 32 -1.886 6.603 -11.558 246 HB2 GLU 32 2HB GLU 32 -4.394 8.091 -10.627 247 HB3 GLU 32 1HB GLU 32 -4.342 6.722 -11.738 248 HG2 GLU 32 2HG GLU 32 -3.322 5.387 -9.786 249 HG3 GLU 32 1HG GLU 32 -3.791 6.742 -8.762 250 H GLU 33 H GLU 33 -2.692 10.008 -11.009 251 HA GLU 33 HA GLU 33 -3.369 10.709 -13.659 252 HB2 GLU 33 2HB GLU 33 -4.007 12.040 -11.645 253 HB3 GLU 33 1HB GLU 33 -2.329 12.536 -11.461 254 HG2 GLU 33 2HG GLU 33 -2.407 13.712 -13.618 255 HG3 GLU 33 1HG GLU 33 -4.059 13.164 -13.891 256 H GLU 34 H GLU 34 -0.306 10.594 -11.937 257 HA GLU 34 HA GLU 34 1.310 11.976 -13.813 258 HB2 GLU 34 2HB GLU 34 1.919 11.415 -11.409 259 HB3 GLU 34 1HB GLU 34 2.182 9.753 -11.915 260 HG2 GLU 34 2HG GLU 34 4.310 10.864 -11.759 261 HG3 GLU 34 1HG GLU 34 3.976 10.532 -13.458 262 H ALA 35 H ALA 35 0.222 8.640 -13.556 263 HA ALA 35 HA ALA 35 1.751 7.575 -15.751 264 HB1 ALA 35 1HB ALA 35 0.932 6.123 -13.945 265 HB2 ALA 35 2HB ALA 35 0.307 5.593 -15.505 266 HB3 ALA 35 3HB ALA 35 -0.738 6.483 -14.394 267 H ARG 36 H ARG 36 -1.438 9.040 -15.346 268 HA ARG 36 HA ARG 36 -2.526 8.530 -17.926 269 HB2 ARG 36 2HB ARG 36 -3.146 10.773 -15.955 270 HB3 ARG 36 1HB ARG 36 -4.108 10.419 -17.391 271 HG2 ARG 36 2HG ARG 36 -4.733 8.235 -16.489 272 HG3 ARG 36 1HG ARG 36 -3.673 8.463 -15.101 273 HD2 ARG 36 2HD ARG 36 -5.986 8.871 -14.453 274 HD3 ARG 36 1HD ARG 36 -5.068 10.374 -14.356 275 HE ARG 36 HE ARG 36 -6.833 9.688 -16.633 276 HH11 ARG 36 1HH1 ARG 36 -5.665 12.072 -14.328 277 HH12 ARG 36 2HH1 ARG 36 -6.734 13.311 -14.899 278 HH21 ARG 36 1HH2 ARG 36 -8.229 11.294 -17.346 279 HH22 ARG 36 2HH2 ARG 36 -8.196 12.873 -16.614 280 H ARG 37 H ARG 37 -0.335 10.959 -16.696 281 HA ARG 37 HA ARG 37 -0.325 12.762 -18.887 282 HB2 ARG 37 2HB ARG 37 1.917 12.124 -16.917 283 HB3 ARG 37 1HB ARG 37 1.880 13.519 -17.990 284 HG2 ARG 37 2HG ARG 37 -0.070 12.983 -15.728 285 HG3 ARG 37 1HG ARG 37 1.285 14.109 -15.674 286 HD2 ARG 37 2HD ARG 37 -1.110 14.317 -17.539 287 HD3 ARG 37 1HD ARG 37 -0.872 15.260 -16.065 288 HE ARG 37 HE ARG 37 0.876 15.420 -18.457 289 HH11 ARG 37 1HH1 ARG 37 -0.654 17.025 -15.729 290 HH12 ARG 37 2HH1 ARG 37 -0.015 18.581 -16.153 291 HH21 ARG 37 1HH2 ARG 37 1.733 17.447 -18.953 292 HH22 ARG 37 2HH2 ARG 37 1.336 18.814 -17.964 293 H ILE 38 H ILE 38 1.308 9.706 -18.294 294 HA ILE 38 HA ILE 38 3.246 9.961 -20.429 295 HB ILE 38 HB ILE 38 2.493 7.544 -18.714 296 HG12 ILE 38 2HG1 ILE 38 4.822 9.511 -18.416 297 HG13 ILE 38 1HG1 ILE 38 3.396 9.457 -17.384 298 HG21 ILE 38 1HG2 ILE 38 4.922 7.917 -20.514 299 HG22 ILE 38 2HG2 ILE 38 3.577 6.812 -20.802 300 HG23 ILE 38 3HG2 ILE 38 4.652 6.548 -19.430 301 HD11 ILE 38 1HD1 ILE 38 5.499 7.311 -17.635 302 HD12 ILE 38 2HD1 ILE 38 4.051 7.215 -16.630 303 HD13 ILE 38 3HD1 ILE 38 5.280 8.433 -16.293 304 H VAL 39 H VAL 39 0.473 7.781 -19.825 305 HA VAL 39 HA VAL 39 0.598 6.413 -22.284 306 HB VAL 39 HB VAL 39 -0.480 5.450 -20.304 307 HG11 VAL 39 1HG1 VAL 39 -2.725 6.186 -19.553 308 HG12 VAL 39 2HG1 VAL 39 -2.662 7.539 -20.684 309 HG13 VAL 39 3HG1 VAL 39 -1.511 7.451 -19.348 310 HG21 VAL 39 1HG2 VAL 39 -1.118 4.527 -22.489 311 HG22 VAL 39 2HG2 VAL 39 -2.416 5.710 -22.645 312 HG23 VAL 39 3HG2 VAL 39 -2.497 4.475 -21.389 313 H LYS 40 H LYS 40 -1.185 9.337 -21.336 314 HA LYS 40 HA LYS 40 -2.542 9.621 -23.866 315 HB2 LYS 40 2HB LYS 40 -3.342 10.649 -21.676 316 HB3 LYS 40 1HB LYS 40 -2.017 11.801 -21.799 317 HG2 LYS 40 2HG LYS 40 -2.949 12.643 -23.936 318 HG3 LYS 40 1HG LYS 40 -4.272 11.481 -23.814 319 HD2 LYS 40 2HD LYS 40 -5.102 13.631 -23.064 320 HD3 LYS 40 1HD LYS 40 -4.969 12.578 -21.652 321 HE2 LYS 40 2HE LYS 40 -4.151 14.803 -21.093 322 HE3 LYS 40 1HE LYS 40 -2.794 13.675 -21.085 323 HZ1 LYS 40 1HZ LYS 40 -3.495 15.565 -23.268 324 HZ2 LYS 40 2HZ LYS 40 -2.214 14.464 -23.314 325 HZ3 LYS 40 3HZ LYS 40 -2.209 15.720 -22.187 326 H LYS 41 H LYS 41 -0.916 9.371 -25.363 327 HA LYS 41 HA LYS 41 1.250 11.397 -25.519 328 HB2 LYS 41 2HB LYS 41 1.882 9.003 -24.640 329 HB3 LYS 41 1HB LYS 41 1.589 8.466 -26.284 330 HG2 LYS 41 2HG LYS 41 3.960 8.785 -25.952 331 HG3 LYS 41 1HG LYS 41 3.374 10.005 -27.085 332 HD2 LYS 41 2HD LYS 41 3.336 11.684 -25.244 333 HD3 LYS 41 1HD LYS 41 3.919 10.454 -24.118 334 HE2 LYS 41 2HE LYS 41 5.758 11.900 -24.830 335 HE3 LYS 41 1HE LYS 41 6.012 10.263 -25.439 336 HZ1 LYS 41 1HZ LYS 41 5.173 10.973 -27.583 337 HZ2 LYS 41 2HZ LYS 41 6.481 11.929 -27.107 338 HZ3 LYS 41 3HZ LYS 41 4.910 12.532 -26.992 339 H ARG 42 H ARG 42 -1.318 11.428 -26.727 340 HA ARG 42 HA ARG 42 -2.503 11.631 -28.604 341 HB2 ARG 42 2HB ARG 42 -0.751 13.261 -29.215 342 HB3 ARG 42 1HB ARG 42 0.223 11.979 -29.922 343 HG2 ARG 42 2HG ARG 42 -1.477 11.629 -31.674 344 HG3 ARG 42 1HG ARG 42 -2.494 12.877 -30.949 345 HD2 ARG 42 2HD ARG 42 -0.814 14.580 -31.448 346 HD3 ARG 42 1HD ARG 42 0.292 13.344 -32.066 347 HE ARG 42 HE ARG 42 -1.932 12.999 -33.580 348 HH11 ARG 42 1HH1 ARG 42 0.059 15.807 -32.918 349 HH12 ARG 42 2HH1 ARG 42 -0.262 16.537 -34.456 350 HH21 ARG 42 1HH2 ARG 42 -2.330 13.966 -35.589 351 HH22 ARG 42 2HH2 ARG 42 -1.608 15.497 -35.965 352 H LEU 43 H LEU 43 -2.966 9.347 -28.076 353 HA LEU 43 HA LEU 43 -2.205 7.456 -30.226 354 HB2 LEU 43 2HB LEU 43 -2.817 6.830 -27.303 355 HB3 LEU 43 1HB LEU 43 -2.462 5.640 -28.542 356 HG LEU 43 HG LEU 43 -0.516 7.704 -27.429 357 HD11 LEU 43 1HD1 LEU 43 -0.579 4.686 -27.078 358 HD12 LEU 43 2HD1 LEU 43 -0.958 5.892 -25.845 359 HD13 LEU 43 3HD1 LEU 43 0.680 5.772 -26.481 360 HD21 LEU 43 1HD2 LEU 43 1.218 6.564 -28.787 361 HD22 LEU 43 2HD2 LEU 43 -0.012 7.330 -29.788 362 HD23 LEU 43 3HD2 LEU 43 -0.034 5.579 -29.552 Start of MODEL 9 1 HA ARG 1 HA ARG 1 5.691 -0.623 -5.695 2 HB2 ARG 1 2HB ARG 1 5.028 -2.038 -3.070 3 HB3 ARG 1 1HB ARG 1 5.493 -2.852 -4.564 4 HG2 ARG 1 2HG ARG 1 7.711 -1.770 -4.475 5 HG3 ARG 1 1HG ARG 1 7.243 -0.931 -2.992 6 HD2 ARG 1 2HD ARG 1 7.489 -3.939 -3.339 7 HD3 ARG 1 1HD ARG 1 8.656 -2.897 -2.515 8 HE ARG 1 HE ARG 1 5.868 -3.341 -1.589 9 HH11 ARG 1 1HH1 ARG 1 9.251 -2.802 -0.792 10 HH12 ARG 1 2HH1 ARG 1 8.975 -2.924 0.916 11 HH21 ARG 1 1HH2 ARG 1 5.545 -3.494 0.629 12 HH22 ARG 1 2HH2 ARG 1 6.893 -3.343 1.713 13 H LYS 2 H LYS 2 3.007 -0.359 -3.419 14 HA LYS 2 HA LYS 2 1.113 -1.967 -4.742 15 HB2 LYS 2 2HB LYS 2 0.888 -1.479 -2.384 16 HB3 LYS 2 1HB LYS 2 0.864 0.255 -2.675 17 HG2 LYS 2 2HG LYS 2 -1.335 0.096 -3.722 18 HG3 LYS 2 1HG LYS 2 -1.316 -1.664 -3.567 19 HD2 LYS 2 2HD LYS 2 -1.197 0.246 -1.190 20 HD3 LYS 2 1HD LYS 2 -2.701 -0.434 -1.816 21 HE2 LYS 2 2HE LYS 2 -0.368 -2.070 -0.739 22 HE3 LYS 2 1HE LYS 2 -1.834 -1.674 0.157 23 HZ1 LYS 2 1HZ LYS 2 -3.133 -2.894 -1.456 24 HZ2 LYS 2 2HZ LYS 2 -1.930 -3.889 -0.814 25 HZ3 LYS 2 3HZ LYS 2 -1.748 -3.245 -2.362 26 H TRP 3 H TRP 3 0.670 -1.506 -6.881 27 HA TRP 3 HA TRP 3 -0.743 1.008 -7.416 28 HB2 TRP 3 2HB TRP 3 0.415 1.286 -9.603 29 HB3 TRP 3 1HB TRP 3 1.478 1.483 -8.225 30 HD1 TRP 3 HD1 TRP 3 0.599 -1.749 -10.284 31 HE1 TRP 3 HE1 TRP 3 2.803 -2.786 -11.079 32 HE3 TRP 3 HE3 TRP 3 3.879 1.713 -8.400 33 HZ2 TRP 3 HZ2 TRP 3 5.554 -2.229 -10.960 34 HZ3 TRP 3 HZ3 TRP 3 6.290 1.384 -8.801 35 HH2 TRP 3 HH2 TRP 3 7.113 -0.549 -10.056 36 H GLU 4 H GLU 4 -1.613 -1.872 -7.020 37 HA GLU 4 HA GLU 4 -2.751 -2.728 -9.507 38 HB2 GLU 4 2HB GLU 4 -3.353 -3.367 -6.614 39 HB3 GLU 4 1HB GLU 4 -4.569 -3.778 -7.808 40 HG2 GLU 4 2HG GLU 4 -3.234 -5.712 -7.375 41 HG3 GLU 4 1HG GLU 4 -2.915 -5.160 -9.023 42 H GLU 5 H GLU 5 -4.143 -0.935 -6.771 43 HA GLU 5 HA GLU 5 -6.679 -0.372 -7.886 44 HB2 GLU 5 2HB GLU 5 -5.156 1.139 -5.723 45 HB3 GLU 5 1HB GLU 5 -6.896 1.227 -6.010 46 HG2 GLU 5 2HG GLU 5 -7.269 -0.969 -5.217 47 HG3 GLU 5 1HG GLU 5 -5.574 -1.424 -5.388 48 H ILE 6 H ILE 6 -3.607 1.274 -8.006 49 HA ILE 6 HA ILE 6 -4.443 3.702 -9.246 50 HB ILE 6 HB ILE 6 -1.755 2.275 -9.099 51 HG12 ILE 6 2HG1 ILE 6 -2.749 4.742 -7.589 52 HG13 ILE 6 1HG1 ILE 6 -2.809 3.106 -6.944 53 HG21 ILE 6 1HG2 ILE 6 -0.703 4.460 -9.764 54 HG22 ILE 6 2HG2 ILE 6 -2.302 5.036 -10.220 55 HG23 ILE 6 3HG2 ILE 6 -1.592 3.666 -11.058 56 HD11 ILE 6 1HD1 ILE 6 -0.315 4.635 -7.663 57 HD12 ILE 6 2HD1 ILE 6 -0.370 2.992 -7.017 58 HD13 ILE 6 3HD1 ILE 6 -0.945 4.343 -6.044 59 H ALA 7 H ALA 7 -3.140 0.619 -10.508 60 HA ALA 7 HA ALA 7 -3.113 1.289 -13.273 61 HB1 ALA 7 1HB ALA 7 -1.799 -0.592 -12.368 62 HB2 ALA 7 2HB ALA 7 -2.843 -1.127 -13.685 63 HB3 ALA 7 3HB ALA 7 -3.287 -1.473 -12.010 64 H GLU 8 H GLU 8 -5.668 0.222 -11.130 65 HA GLU 8 HA GLU 8 -7.630 -0.538 -13.009 66 HB2 GLU 8 2HB GLU 8 -8.096 0.874 -10.341 67 HB3 GLU 8 1HB GLU 8 -9.299 -0.034 -11.256 68 HG2 GLU 8 2HG GLU 8 -6.818 -1.157 -9.930 69 HG3 GLU 8 1HG GLU 8 -8.468 -1.302 -9.344 70 H ARG 9 H ARG 9 -6.741 2.645 -11.655 71 HA ARG 9 HA ARG 9 -8.687 4.172 -13.053 72 HB2 ARG 9 2HB ARG 9 -7.503 5.129 -11.104 73 HB3 ARG 9 1HB ARG 9 -5.977 5.079 -11.974 74 HG2 ARG 9 2HG ARG 9 -6.887 7.366 -11.943 75 HG3 ARG 9 1HG ARG 9 -6.824 6.747 -13.596 76 HD2 ARG 9 2HD ARG 9 -9.337 6.026 -13.098 77 HD3 ARG 9 1HD ARG 9 -9.226 7.267 -11.847 78 HE ARG 9 HE ARG 9 -8.370 8.610 -14.007 79 HH11 ARG 9 1HH1 ARG 9 -11.203 6.564 -13.555 80 HH12 ARG 9 2HH1 ARG 9 -12.147 7.418 -14.733 81 HH21 ARG 9 1HH2 ARG 9 -9.629 9.694 -15.570 82 HH22 ARG 9 2HH2 ARG 9 -11.258 9.175 -15.870 83 H LEU 10 H LEU 10 -5.404 3.136 -13.876 84 HA LEU 10 HA LEU 10 -5.048 4.693 -16.186 85 HB2 LEU 10 2HB LEU 10 -3.760 2.176 -15.155 86 HB3 LEU 10 1HB LEU 10 -3.468 2.601 -16.827 87 HG LEU 10 HG LEU 10 -1.628 3.444 -15.546 88 HD11 LEU 10 1HD1 LEU 10 -2.466 4.859 -17.382 89 HD12 LEU 10 2HD1 LEU 10 -1.677 5.787 -16.120 90 HD13 LEU 10 3HD1 LEU 10 -3.437 5.785 -16.231 91 HD21 LEU 10 1HD2 LEU 10 -2.627 3.515 -13.320 92 HD22 LEU 10 2HD2 LEU 10 -3.624 4.895 -13.776 93 HD23 LEU 10 3HD2 LEU 10 -1.866 5.061 -13.694 94 H ARG 11 H ARG 11 -6.383 1.409 -15.815 95 HA ARG 11 HA ARG 11 -6.990 1.210 -18.652 96 HB2 ARG 11 2HB ARG 11 -7.747 -1.047 -18.186 97 HB3 ARG 11 1HB ARG 11 -6.182 -0.774 -17.432 98 HG2 ARG 11 2HG ARG 11 -7.343 -0.455 -15.241 99 HG3 ARG 11 1HG ARG 11 -8.872 -0.860 -16.028 100 HD2 ARG 11 2HD ARG 11 -7.856 -3.070 -16.696 101 HD3 ARG 11 1HD ARG 11 -6.444 -2.661 -15.720 102 HE ARG 11 HE ARG 11 -8.004 -2.580 -13.769 103 HH11 ARG 11 1HH1 ARG 11 -8.868 -4.545 -16.567 104 HH12 ARG 11 2HH1 ARG 11 -9.836 -5.644 -15.641 105 HH21 ARG 11 1HH2 ARG 11 -9.286 -4.047 -12.595 106 HH22 ARG 11 2HH2 ARG 11 -10.077 -5.356 -13.406 107 H GLU 12 H GLU 12 -8.568 2.582 -15.962 108 HA GLU 12 HA GLU 12 -11.265 2.314 -17.056 109 HB2 GLU 12 2HB GLU 12 -10.917 2.412 -14.593 110 HB3 GLU 12 1HB GLU 12 -10.237 4.021 -14.742 111 HG2 GLU 12 2HG GLU 12 -12.527 4.127 -13.926 112 HG3 GLU 12 1HG GLU 12 -12.409 4.887 -15.513 113 H GLU 13 H GLU 13 -8.685 4.686 -16.885 114 HA GLU 13 HA GLU 13 -10.044 6.932 -18.002 115 HB2 GLU 13 2HB GLU 13 -8.000 7.155 -16.600 116 HB3 GLU 13 1HB GLU 13 -7.065 6.289 -17.804 117 HG2 GLU 13 2HG GLU 13 -6.508 8.563 -18.078 118 HG3 GLU 13 1HG GLU 13 -7.568 8.167 -19.426 119 H PHE 14 H PHE 14 -7.671 4.600 -19.259 120 HA PHE 14 HA PHE 14 -8.870 4.583 -21.916 121 HB2 PHE 14 2HB PHE 14 -7.119 6.460 -21.868 122 HB3 PHE 14 1HB PHE 14 -5.894 5.235 -21.571 123 HD1 PHE 14 HD1 PHE 14 -8.498 6.309 -24.030 124 HD2 PHE 14 HD2 PHE 14 -4.904 4.072 -23.420 125 HE1 PHE 14 HE1 PHE 14 -8.276 5.994 -26.459 126 HE2 PHE 14 HE2 PHE 14 -4.691 3.765 -25.853 127 HZ PHE 14 HZ PHE 14 -6.377 4.723 -27.374 128 H ASN 15 H ASN 15 -9.325 2.456 -21.783 129 HA ASN 15 HA ASN 15 -7.872 0.552 -20.337 130 HB2 ASN 15 2HB ASN 15 -10.287 0.313 -20.941 131 HB3 ASN 15 1HB ASN 15 -9.818 -0.032 -22.605 132 HD21 ASN 15 1HD2 ASN 15 -10.769 -2.098 -22.505 133 HD22 ASN 15 2HD2 ASN 15 -10.050 -3.402 -21.632 134 H ILE 16 H ILE 16 -6.281 -0.790 -20.818 135 HA ILE 16 HA ILE 16 -4.997 -0.881 -23.459 136 HB ILE 16 HB ILE 16 -2.767 -0.223 -22.296 137 HG12 ILE 16 2HG1 ILE 16 -4.720 0.835 -20.183 138 HG13 ILE 16 1HG1 ILE 16 -3.496 -0.407 -19.948 139 HG21 ILE 16 1HG2 ILE 16 -3.077 2.190 -22.619 140 HG22 ILE 16 2HG2 ILE 16 -4.828 1.975 -22.660 141 HG23 ILE 16 3HG2 ILE 16 -3.819 1.269 -23.927 142 HD11 ILE 16 1HD1 ILE 16 -1.747 1.274 -20.265 143 HD12 ILE 16 2HD1 ILE 16 -2.838 1.689 -18.946 144 HD13 ILE 16 3HD1 ILE 16 -2.984 2.513 -20.497 145 H ASN 17 H ASN 17 -2.968 -2.315 -23.275 146 HA ASN 17 HA ASN 17 -3.424 -4.719 -21.803 147 HB2 ASN 17 2HB ASN 17 -0.963 -3.721 -23.306 148 HB3 ASN 17 1HB ASN 17 -1.047 -5.304 -22.541 149 HD21 ASN 17 1HD2 ASN 17 -0.948 -6.546 -24.357 150 HD22 ASN 17 2HD2 ASN 17 -2.130 -6.549 -25.615 151 HA PRO 18 HA PRO 18 -1.608 -3.660 -17.815 152 HB2 PRO 18 2HB PRO 18 -0.428 -6.103 -17.144 153 HB3 PRO 18 1HB PRO 18 -2.155 -5.749 -16.969 154 HG2 PRO 18 2HG PRO 18 -0.727 -7.146 -19.243 155 HG3 PRO 18 1HG PRO 18 -2.220 -7.622 -18.398 156 HD2 PRO 18 2HD PRO 18 -2.337 -6.420 -20.773 157 HD3 PRO 18 1HD PRO 18 -3.508 -5.989 -19.505 158 H GLU 19 H GLU 19 0.318 -4.887 -20.445 159 HA GLU 19 HA GLU 19 2.959 -4.410 -19.604 160 HB2 GLU 19 2HB GLU 19 1.731 -4.031 -22.372 161 HB3 GLU 19 1HB GLU 19 3.450 -4.238 -22.039 162 HG2 GLU 19 2HG GLU 19 3.140 -6.536 -21.393 163 HG3 GLU 19 1HG GLU 19 1.380 -6.352 -21.355 164 H GLU 20 H GLU 20 0.590 -2.275 -21.162 165 HA GLU 20 HA GLU 20 2.277 0.007 -21.484 166 HB2 GLU 20 2HB GLU 20 -0.775 -0.004 -21.379 167 HB3 GLU 20 1HB GLU 20 0.262 1.179 -22.181 168 HG2 GLU 20 2HG GLU 20 -0.177 -1.715 -22.999 169 HG3 GLU 20 1HG GLU 20 -0.831 -0.280 -23.789 170 H ALA 21 H ALA 21 -0.355 -0.822 -19.255 171 HA ALA 21 HA ALA 21 -0.345 1.420 -17.577 172 HB1 ALA 21 1HB ALA 21 -1.571 0.001 -15.972 173 HB2 ALA 21 2HB ALA 21 -1.123 -1.438 -16.893 174 HB3 ALA 21 3HB ALA 21 -2.179 -0.222 -17.615 175 H ARG 22 H ARG 22 1.575 -1.546 -17.505 176 HA ARG 22 HA ARG 22 2.695 -1.456 -14.950 177 HB2 ARG 22 2HB ARG 22 2.857 -3.428 -16.435 178 HB3 ARG 22 1HB ARG 22 3.913 -2.547 -17.525 179 HG2 ARG 22 2HG ARG 22 5.217 -4.096 -16.195 180 HG3 ARG 22 1HG ARG 22 5.647 -2.443 -15.750 181 HD2 ARG 22 2HD ARG 22 5.451 -3.910 -13.775 182 HD3 ARG 22 1HD ARG 22 4.272 -2.596 -13.727 183 HE ARG 22 HE ARG 22 2.994 -4.771 -14.906 184 HH11 ARG 22 1HH1 ARG 22 4.472 -4.116 -11.774 185 HH12 ARG 22 2HH1 ARG 22 3.365 -5.143 -10.919 186 HH21 ARG 22 1HH2 ARG 22 1.560 -6.087 -13.743 187 HH22 ARG 22 2HH2 ARG 22 1.721 -6.235 -12.021 188 H GLU 23 H GLU 23 4.210 -0.353 -18.006 189 HA GLU 23 HA GLU 23 6.472 0.793 -16.665 190 HB2 GLU 23 2HB GLU 23 6.611 -0.131 -18.961 191 HB3 GLU 23 1HB GLU 23 5.562 1.158 -19.543 192 HG2 GLU 23 2HG GLU 23 7.261 2.836 -18.960 193 HG3 GLU 23 1HG GLU 23 8.313 1.577 -18.308 194 H ALA 24 H ALA 24 3.408 2.058 -17.857 195 HA ALA 24 HA ALA 24 3.934 4.818 -17.784 196 HB1 ALA 24 1HB ALA 24 1.898 3.878 -18.800 197 HB2 ALA 24 2HB ALA 24 1.495 5.126 -17.619 198 HB3 ALA 24 3HB ALA 24 1.298 3.419 -17.205 199 H VAL 25 H VAL 25 2.713 2.636 -15.243 200 HA VAL 25 HA VAL 25 2.605 4.747 -13.249 201 HB VAL 25 HB VAL 25 0.893 2.888 -13.376 202 HG11 VAL 25 1HG1 VAL 25 3.080 1.157 -12.164 203 HG12 VAL 25 2HG1 VAL 25 2.405 0.979 -13.783 204 HG13 VAL 25 3HG1 VAL 25 1.388 0.699 -12.370 205 HG21 VAL 25 1HG2 VAL 25 1.100 4.306 -11.386 206 HG22 VAL 25 2HG2 VAL 25 2.320 3.221 -10.715 207 HG23 VAL 25 3HG2 VAL 25 0.661 2.657 -10.930 208 H GLU 26 H GLU 26 4.838 2.271 -14.222 209 HA GLU 26 HA GLU 26 6.446 2.089 -11.883 210 HB2 GLU 26 2HB GLU 26 6.447 0.428 -13.763 211 HB3 GLU 26 1HB GLU 26 7.195 1.618 -14.816 212 HG2 GLU 26 2HG GLU 26 8.507 0.611 -12.279 213 HG3 GLU 26 1HG GLU 26 8.691 -0.216 -13.821 214 H LYS 27 H LYS 27 6.756 3.979 -14.884 215 HA LYS 27 HA LYS 27 8.959 5.580 -14.100 216 HB2 LYS 27 2HB LYS 27 8.260 5.196 -16.458 217 HB3 LYS 27 1HB LYS 27 6.806 6.143 -16.187 218 HG2 LYS 27 2HG LYS 27 9.510 7.423 -15.737 219 HG3 LYS 27 1HG LYS 27 8.933 7.188 -17.385 220 HD2 LYS 27 2HD LYS 27 6.989 8.589 -16.973 221 HD3 LYS 27 1HD LYS 27 7.372 8.714 -15.258 222 HE2 LYS 27 2HE LYS 27 7.986 10.768 -16.494 223 HE3 LYS 27 1HE LYS 27 9.402 9.992 -15.779 224 HZ1 LYS 27 1HZ LYS 27 8.556 9.751 -18.613 225 HZ2 LYS 27 2HZ LYS 27 9.926 9.039 -17.921 226 HZ3 LYS 27 3HZ LYS 27 9.818 10.720 -18.037 227 H ALA 28 H ALA 28 5.439 6.046 -13.947 228 HA ALA 28 HA ALA 28 5.333 8.676 -12.940 229 HB1 ALA 28 1HB ALA 28 3.046 8.133 -12.211 230 HB2 ALA 28 2HB ALA 28 3.376 6.410 -12.412 231 HB3 ALA 28 3HB ALA 28 3.356 7.473 -13.819 232 H GLY 29 H GLY 29 5.881 5.605 -11.343 233 HA2 GLY 29 2HA GLY 29 6.702 5.081 -9.249 234 HA3 GLY 29 1HA GLY 29 6.807 6.796 -8.871 235 H GLY 30 H GLY 30 4.114 4.631 -9.758 236 HA2 GLY 30 2HA GLY 30 2.103 4.149 -8.772 237 HA3 GLY 30 1HA GLY 30 2.832 4.559 -7.226 238 H ASN 31 H ASN 31 2.384 6.685 -10.046 239 HA ASN 31 HA ASN 31 0.557 8.416 -8.464 240 HB2 ASN 31 2HB ASN 31 2.801 9.206 -10.373 241 HB3 ASN 31 1HB ASN 31 1.508 10.326 -9.941 242 HD21 ASN 31 1HD2 ASN 31 4.286 8.579 -8.750 243 HD22 ASN 31 2HD2 ASN 31 4.471 9.476 -7.288 244 H GLU 32 H GLU 32 -1.421 8.548 -9.240 245 HA GLU 32 HA GLU 32 -2.227 7.390 -11.742 246 HB2 GLU 32 2HB GLU 32 -3.883 9.176 -9.903 247 HB3 GLU 32 1HB GLU 32 -4.487 8.005 -11.082 248 HG2 GLU 32 2HG GLU 32 -3.449 6.192 -9.692 249 HG3 GLU 32 1HG GLU 32 -3.004 7.401 -8.500 250 H GLU 33 H GLU 33 -1.872 10.695 -10.488 251 HA GLU 33 HA GLU 33 -2.937 11.986 -12.852 252 HB2 GLU 33 2HB GLU 33 -3.267 12.820 -10.487 253 HB3 GLU 33 1HB GLU 33 -1.567 13.276 -10.449 254 HG2 GLU 33 2HG GLU 33 -1.898 14.953 -12.153 255 HG3 GLU 33 1HG GLU 33 -3.525 14.371 -12.500 256 H GLU 34 H GLU 34 -0.194 10.434 -12.649 257 HA GLU 34 HA GLU 34 1.300 12.281 -14.426 258 HB2 GLU 34 2HB GLU 34 2.519 11.684 -12.333 259 HB3 GLU 34 1HB GLU 34 2.340 9.976 -12.702 260 HG2 GLU 34 2HG GLU 34 4.579 10.685 -13.249 261 HG3 GLU 34 1HG GLU 34 3.716 10.270 -14.729 262 H ALA 35 H ALA 35 0.614 8.853 -13.732 263 HA ALA 35 HA ALA 35 1.606 7.744 -16.109 264 HB1 ALA 35 1HB ALA 35 0.437 5.705 -15.397 265 HB2 ALA 35 2HB ALA 35 -0.485 6.637 -14.218 266 HB3 ALA 35 3HB ALA 35 1.263 6.474 -14.037 267 H ARG 36 H ARG 36 -1.553 9.099 -15.364 268 HA ARG 36 HA ARG 36 -3.144 8.051 -17.411 269 HB2 ARG 36 2HB ARG 36 -4.600 10.059 -17.092 270 HB3 ARG 36 1HB ARG 36 -4.142 9.299 -15.572 271 HG2 ARG 36 2HG ARG 36 -2.447 11.042 -15.183 272 HG3 ARG 36 1HG ARG 36 -2.849 11.794 -16.727 273 HD2 ARG 36 2HD ARG 36 -4.792 11.492 -14.410 274 HD3 ARG 36 1HD ARG 36 -3.851 12.947 -14.749 275 HE ARG 36 HE ARG 36 -5.325 12.188 -17.041 276 HH11 ARG 36 1HH1 ARG 36 -5.850 13.614 -13.868 277 HH12 ARG 36 2HH1 ARG 36 -7.215 14.545 -14.390 278 HH21 ARG 36 1HH2 ARG 36 -7.125 13.405 -17.685 279 HH22 ARG 36 2HH2 ARG 36 -7.937 14.424 -16.539 280 H ARG 37 H ARG 37 -0.823 10.706 -17.501 281 HA ARG 37 HA ARG 37 -1.533 11.452 -20.259 282 HB2 ARG 37 2HB ARG 37 0.445 12.746 -18.338 283 HB3 ARG 37 1HB ARG 37 -0.060 13.391 -19.903 284 HG2 ARG 37 2HG ARG 37 -2.408 13.545 -19.010 285 HG3 ARG 37 1HG ARG 37 -1.797 13.038 -17.433 286 HD2 ARG 37 2HD ARG 37 -2.024 15.456 -17.459 287 HD3 ARG 37 1HD ARG 37 -0.310 15.041 -17.407 288 HE ARG 37 HE ARG 37 -0.197 15.516 -19.809 289 HH11 ARG 37 1HH1 ARG 37 -2.949 16.848 -18.085 290 HH12 ARG 37 2HH1 ARG 37 -3.227 18.092 -19.258 291 HH21 ARG 37 1HH2 ARG 37 -0.574 17.157 -21.321 292 HH22 ARG 37 2HH2 ARG 37 -1.889 18.263 -21.088 293 H ILE 38 H ILE 38 0.606 9.363 -18.696 294 HA ILE 38 HA ILE 38 2.673 9.401 -20.754 295 HB ILE 38 HB ILE 38 2.153 7.415 -18.481 296 HG12 ILE 38 2HG1 ILE 38 4.192 9.697 -18.640 297 HG13 ILE 38 1HG1 ILE 38 2.698 9.748 -17.711 298 HG21 ILE 38 1HG2 ILE 38 4.619 7.681 -20.251 299 HG22 ILE 38 2HG2 ILE 38 3.467 6.342 -20.269 300 HG23 ILE 38 3HG2 ILE 38 4.472 6.622 -18.848 301 HD11 ILE 38 1HD1 ILE 38 3.520 7.927 -16.294 302 HD12 ILE 38 2HD1 ILE 38 4.602 9.318 -16.288 303 HD13 ILE 38 3HD1 ILE 38 5.022 7.886 -17.225 304 H VAL 39 H VAL 39 -0.253 7.618 -19.927 305 HA VAL 39 HA VAL 39 -0.118 5.730 -22.108 306 HB VAL 39 HB VAL 39 -2.486 6.599 -20.372 307 HG11 VAL 39 1HG1 VAL 39 -2.311 4.231 -22.280 308 HG12 VAL 39 2HG1 VAL 39 -3.295 5.676 -22.510 309 HG13 VAL 39 3HG1 VAL 39 -3.654 4.571 -21.183 310 HG21 VAL 39 1HG2 VAL 39 -0.707 5.514 -19.073 311 HG22 VAL 39 2HG2 VAL 39 -0.690 4.146 -20.187 312 HG23 VAL 39 3HG2 VAL 39 -2.109 4.447 -19.182 313 H LYS 40 H LYS 40 -2.140 8.590 -21.437 314 HA LYS 40 HA LYS 40 -2.698 8.976 -24.300 315 HB2 LYS 40 2HB LYS 40 -3.884 10.222 -21.787 316 HB3 LYS 40 1HB LYS 40 -4.340 10.698 -23.423 317 HG2 LYS 40 2HG LYS 40 -5.258 8.498 -23.873 318 HG3 LYS 40 1HG LYS 40 -4.640 7.878 -22.341 319 HD2 LYS 40 2HD LYS 40 -7.091 8.344 -22.278 320 HD3 LYS 40 1HD LYS 40 -6.189 9.265 -21.075 321 HE2 LYS 40 2HE LYS 40 -7.951 10.610 -22.191 322 HE3 LYS 40 1HE LYS 40 -6.342 11.279 -22.454 323 HZ1 LYS 40 1HZ LYS 40 -6.313 10.328 -24.650 324 HZ2 LYS 40 2HZ LYS 40 -7.711 11.260 -24.466 325 HZ3 LYS 40 3HZ LYS 40 -7.803 9.575 -24.398 326 H LYS 41 H LYS 41 -0.367 9.505 -24.537 327 HA LYS 41 HA LYS 41 0.464 12.166 -23.575 328 HB2 LYS 41 2HB LYS 41 2.717 11.554 -24.398 329 HB3 LYS 41 1HB LYS 41 2.101 10.369 -23.255 330 HG2 LYS 41 2HG LYS 41 1.639 8.796 -25.046 331 HG3 LYS 41 1HG LYS 41 2.039 9.998 -26.274 332 HD2 LYS 41 2HD LYS 41 3.894 8.397 -25.971 333 HD3 LYS 41 1HD LYS 41 4.381 10.030 -25.521 334 HE2 LYS 41 2HE LYS 41 4.088 9.464 -23.131 335 HE3 LYS 41 1HE LYS 41 3.597 7.828 -23.578 336 HZ1 LYS 41 1HZ LYS 41 5.883 7.845 -22.936 337 HZ2 LYS 41 2HZ LYS 41 6.257 9.071 -24.034 338 HZ3 LYS 41 3HZ LYS 41 5.805 7.543 -24.596 339 H ARG 42 H ARG 42 -1.477 11.420 -25.915 340 HA ARG 42 HA ARG 42 -0.277 12.736 -28.224 341 HB2 ARG 42 2HB ARG 42 -3.140 11.776 -27.743 342 HB3 ARG 42 1HB ARG 42 -2.495 12.323 -29.290 343 HG2 ARG 42 2HG ARG 42 -1.462 9.918 -27.755 344 HG3 ARG 42 1HG ARG 42 -2.669 9.824 -29.041 345 HD2 ARG 42 2HD ARG 42 0.138 10.947 -29.411 346 HD3 ARG 42 1HD ARG 42 -0.319 9.278 -29.761 347 HE ARG 42 HE ARG 42 -2.084 10.502 -31.265 348 HH11 ARG 42 1HH1 ARG 42 1.308 11.387 -30.935 349 HH12 ARG 42 2HH1 ARG 42 1.422 11.960 -32.567 350 HH21 ARG 42 1HH2 ARG 42 -1.892 11.238 -33.379 351 HH22 ARG 42 2HH2 ARG 42 -0.379 11.878 -33.934 352 H LEU 43 H LEU 43 0.182 14.683 -26.811 353 HA LEU 43 HA LEU 43 -2.095 16.590 -26.843 354 HB2 LEU 43 2HB LEU 43 0.446 16.655 -25.145 355 HB3 LEU 43 1HB LEU 43 -0.670 17.997 -25.270 356 HG LEU 43 HG LEU 43 -1.168 16.973 -23.204 357 HD11 LEU 43 1HD1 LEU 43 -3.454 16.148 -23.401 358 HD12 LEU 43 2HD1 LEU 43 -3.239 15.919 -25.140 359 HD13 LEU 43 3HD1 LEU 43 -3.176 17.541 -24.440 360 HD21 LEU 43 1HD2 LEU 43 0.047 14.878 -23.482 361 HD22 LEU 43 2HD2 LEU 43 -1.222 14.249 -24.533 362 HD23 LEU 43 3HD2 LEU 43 -1.566 14.584 -22.833 Start of MODEL 10 1 HA ARG 1 HA ARG 1 2.977 -3.381 -2.887 2 HB2 ARG 1 2HB ARG 1 5.234 -2.367 -2.971 3 HB3 ARG 1 1HB ARG 1 5.575 -3.189 -4.491 4 HG2 ARG 1 2HG ARG 1 3.761 -1.861 -5.579 5 HG3 ARG 1 1HG ARG 1 3.503 -1.004 -4.057 6 HD2 ARG 1 2HD ARG 1 4.872 0.329 -5.585 7 HD3 ARG 1 1HD ARG 1 5.808 -0.124 -4.158 8 HE ARG 1 HE ARG 1 6.198 -1.998 -6.275 9 HH11 ARG 1 1HH1 ARG 1 7.141 1.255 -5.294 10 HH12 ARG 1 2HH1 ARG 1 8.645 1.197 -6.152 11 HH21 ARG 1 1HH2 ARG 1 8.174 -2.049 -7.380 12 HH22 ARG 1 2HH2 ARG 1 9.231 -0.673 -7.340 13 H LYS 2 H LYS 2 1.556 -3.021 -4.580 14 HA LYS 2 HA LYS 2 1.956 -4.332 -7.167 15 HB2 LYS 2 2HB LYS 2 0.529 -5.908 -5.878 16 HB3 LYS 2 1HB LYS 2 -0.603 -4.608 -5.519 17 HG2 LYS 2 2HG LYS 2 -1.181 -4.414 -7.898 18 HG3 LYS 2 1HG LYS 2 0.011 -5.650 -8.308 19 HD2 LYS 2 2HD LYS 2 -2.429 -6.111 -6.544 20 HD3 LYS 2 1HD LYS 2 -2.345 -6.517 -8.260 21 HE2 LYS 2 2HE LYS 2 -0.594 -7.700 -6.070 22 HE3 LYS 2 1HE LYS 2 -1.963 -8.501 -6.845 23 HZ1 LYS 2 1HZ LYS 2 0.120 -9.227 -7.801 24 HZ2 LYS 2 2HZ LYS 2 0.542 -7.641 -8.199 25 HZ3 LYS 2 3HZ LYS 2 -0.775 -8.378 -8.959 26 H TRP 3 H TRP 3 1.053 -3.187 -8.834 27 HA TRP 3 HA TRP 3 0.161 -0.450 -8.311 28 HB2 TRP 3 2HB TRP 3 0.380 -0.223 -10.825 29 HB3 TRP 3 1HB TRP 3 1.870 -0.658 -10.008 30 HD1 TRP 3 HD1 TRP 3 -0.635 -1.995 -12.559 31 HE1 TRP 3 HE1 TRP 3 0.310 -4.128 -13.627 32 HE3 TRP 3 HE3 TRP 3 3.451 -2.679 -9.563 33 HZ2 TRP 3 HZ2 TRP 3 2.486 -5.863 -13.266 34 HZ3 TRP 3 HZ3 TRP 3 4.918 -4.607 -9.997 35 HH2 TRP 3 HH2 TRP 3 4.445 -6.168 -11.813 36 H GLU 4 H GLU 4 -1.646 -2.571 -7.507 37 HA GLU 4 HA GLU 4 -3.816 -2.966 -9.250 38 HB2 GLU 4 2HB GLU 4 -3.550 -4.166 -7.085 39 HB3 GLU 4 1HB GLU 4 -3.809 -2.670 -6.208 40 HG2 GLU 4 2HG GLU 4 -5.836 -3.903 -6.064 41 HG3 GLU 4 1HG GLU 4 -6.132 -2.575 -7.185 42 H GLU 5 H GLU 5 -3.089 -0.427 -6.931 43 HA GLU 5 HA GLU 5 -5.437 1.069 -7.023 44 HB2 GLU 5 2HB GLU 5 -2.682 2.298 -6.613 45 HB3 GLU 5 1HB GLU 5 -4.215 2.821 -5.924 46 HG2 GLU 5 2HG GLU 5 -2.637 0.338 -5.188 47 HG3 GLU 5 1HG GLU 5 -2.826 1.799 -4.221 48 H ILE 6 H ILE 6 -2.648 1.068 -9.154 49 HA ILE 6 HA ILE 6 -3.440 3.502 -10.559 50 HB ILE 6 HB ILE 6 -1.130 1.624 -11.218 51 HG12 ILE 6 2HG1 ILE 6 -0.861 2.379 -8.881 52 HG13 ILE 6 1HG1 ILE 6 0.345 3.146 -9.903 53 HG21 ILE 6 1HG2 ILE 6 -0.135 3.585 -12.347 54 HG22 ILE 6 2HG2 ILE 6 -1.560 4.546 -11.940 55 HG23 ILE 6 3HG2 ILE 6 -1.704 3.172 -13.037 56 HD11 ILE 6 1HD1 ILE 6 -1.008 5.210 -9.906 57 HD12 ILE 6 2HD1 ILE 6 -0.515 4.716 -8.289 58 HD13 ILE 6 3HD1 ILE 6 -2.170 4.429 -8.829 59 H ALA 7 H ALA 7 -2.972 0.044 -11.325 60 HA ALA 7 HA ALA 7 -3.612 0.253 -14.083 61 HB1 ALA 7 1HB ALA 7 -2.107 -1.487 -13.243 62 HB2 ALA 7 2HB ALA 7 -3.456 -2.191 -14.136 63 HB3 ALA 7 3HB ALA 7 -3.444 -2.241 -12.370 64 H GLU 8 H GLU 8 -5.600 -0.115 -11.280 65 HA GLU 8 HA GLU 8 -7.817 -1.476 -12.412 66 HB2 GLU 8 2HB GLU 8 -7.415 -1.192 -9.951 67 HB3 GLU 8 1HB GLU 8 -7.788 0.523 -10.102 68 HG2 GLU 8 2HG GLU 8 -10.103 -0.186 -10.938 69 HG3 GLU 8 1HG GLU 8 -9.679 -1.829 -10.456 70 H ARG 9 H ARG 9 -7.701 2.011 -11.512 71 HA ARG 9 HA ARG 9 -9.944 2.588 -13.213 72 HB2 ARG 9 2HB ARG 9 -9.737 3.740 -11.072 73 HB3 ARG 9 1HB ARG 9 -8.212 4.461 -11.559 74 HG2 ARG 9 2HG ARG 9 -9.452 5.653 -13.401 75 HG3 ARG 9 1HG ARG 9 -10.952 5.027 -12.718 76 HD2 ARG 9 2HD ARG 9 -10.542 6.250 -10.635 77 HD3 ARG 9 1HD ARG 9 -8.979 6.814 -11.253 78 HE ARG 9 HE ARG 9 -11.203 7.492 -12.959 79 HH11 ARG 9 1HH1 ARG 9 -9.368 8.576 -10.161 80 HH12 ARG 9 2HH1 ARG 9 -9.846 10.230 -10.348 81 HH21 ARG 9 1HH2 ARG 9 -11.812 9.676 -13.186 82 HH22 ARG 9 2HH2 ARG 9 -11.238 10.857 -12.051 83 H LEU 10 H LEU 10 -6.462 2.850 -13.581 84 HA LEU 10 HA LEU 10 -6.349 4.750 -15.681 85 HB2 LEU 10 2HB LEU 10 -4.424 3.832 -14.267 86 HB3 LEU 10 1HB LEU 10 -4.453 2.410 -15.288 87 HG LEU 10 HG LEU 10 -3.834 3.805 -17.258 88 HD11 LEU 10 1HD1 LEU 10 -3.644 6.104 -15.274 89 HD12 LEU 10 2HD1 LEU 10 -4.820 5.960 -16.584 90 HD13 LEU 10 3HD1 LEU 10 -3.109 6.143 -16.958 91 HD21 LEU 10 1HD2 LEU 10 -1.506 4.267 -16.544 92 HD22 LEU 10 2HD2 LEU 10 -2.075 2.709 -15.954 93 HD23 LEU 10 3HD2 LEU 10 -1.993 4.090 -14.856 94 H ARG 11 H ARG 11 -7.048 1.322 -15.612 95 HA ARG 11 HA ARG 11 -7.168 0.904 -18.471 96 HB2 ARG 11 2HB ARG 11 -6.615 -0.892 -16.834 97 HB3 ARG 11 1HB ARG 11 -8.216 -0.760 -16.135 98 HG2 ARG 11 2HG ARG 11 -7.937 -1.492 -19.057 99 HG3 ARG 11 1HG ARG 11 -7.631 -2.710 -17.820 100 HD2 ARG 11 2HD ARG 11 -9.896 -2.335 -16.900 101 HD3 ARG 11 1HD ARG 11 -10.204 -1.139 -18.161 102 HE ARG 11 HE ARG 11 -9.460 -3.553 -19.392 103 HH11 ARG 11 1HH1 ARG 11 -12.138 -2.244 -17.545 104 HH12 ARG 11 2HH1 ARG 11 -13.315 -3.304 -18.250 105 HH21 ARG 11 1HH2 ARG 11 -11.041 -4.982 -20.312 106 HH22 ARG 11 2HH2 ARG 11 -12.699 -4.840 -19.820 107 H GLU 12 H GLU 12 -9.408 1.899 -15.942 108 HA GLU 12 HA GLU 12 -11.822 1.590 -17.488 109 HB2 GLU 12 2HB GLU 12 -11.334 3.172 -14.933 110 HB3 GLU 12 1HB GLU 12 -12.917 2.778 -15.602 111 HG2 GLU 12 2HG GLU 12 -10.877 0.771 -14.590 112 HG3 GLU 12 1HG GLU 12 -12.282 1.333 -13.693 113 H GLU 13 H GLU 13 -9.525 4.193 -16.942 114 HA GLU 13 HA GLU 13 -11.117 6.268 -18.164 115 HB2 GLU 13 2HB GLU 13 -8.160 6.244 -17.424 116 HB3 GLU 13 1HB GLU 13 -9.092 7.662 -17.875 117 HG2 GLU 13 2HG GLU 13 -9.470 5.988 -15.383 118 HG3 GLU 13 1HG GLU 13 -8.685 7.559 -15.465 119 H PHE 14 H PHE 14 -8.257 4.314 -18.920 120 HA PHE 14 HA PHE 14 -8.356 5.103 -21.782 121 HB2 PHE 14 2HB PHE 14 -5.914 4.278 -20.142 122 HB3 PHE 14 1HB PHE 14 -5.912 4.698 -21.852 123 HD1 PHE 14 HD1 PHE 14 -5.957 5.991 -18.441 124 HD2 PHE 14 HD2 PHE 14 -6.295 7.071 -22.565 125 HE1 PHE 14 HE1 PHE 14 -5.592 8.347 -17.859 126 HE2 PHE 14 HE2 PHE 14 -5.911 9.430 -21.974 127 HZ PHE 14 HZ PHE 14 -5.560 10.070 -19.623 128 H ASN 15 H ASN 15 -8.760 3.456 -23.187 129 HA ASN 15 HA ASN 15 -8.906 0.723 -22.248 130 HB2 ASN 15 2HB ASN 15 -9.533 0.215 -24.688 131 HB3 ASN 15 1HB ASN 15 -10.629 1.253 -23.789 132 HD21 ASN 15 1HD2 ASN 15 -7.606 2.458 -25.231 133 HD22 ASN 15 2HD2 ASN 15 -8.364 3.407 -26.448 134 H ILE 16 H ILE 16 -6.653 0.682 -21.586 135 HA ILE 16 HA ILE 16 -4.608 0.382 -23.715 136 HB ILE 16 HB ILE 16 -2.952 0.735 -21.822 137 HG12 ILE 16 2HG1 ILE 16 -5.443 1.508 -20.211 138 HG13 ILE 16 1HG1 ILE 16 -4.458 0.078 -19.925 139 HG21 ILE 16 1HG2 ILE 16 -3.502 2.580 -23.332 140 HG22 ILE 16 2HG2 ILE 16 -3.233 3.182 -21.698 141 HG23 ILE 16 3HG2 ILE 16 -4.877 3.030 -22.318 142 HD11 ILE 16 1HD1 ILE 16 -3.578 2.945 -19.587 143 HD12 ILE 16 2HD1 ILE 16 -2.570 1.520 -19.313 144 HD13 ILE 16 3HD1 ILE 16 -3.988 1.806 -18.306 145 H ASN 17 H ASN 17 -2.890 -1.177 -23.249 146 HA ASN 17 HA ASN 17 -3.776 -3.750 -22.276 147 HB2 ASN 17 2HB ASN 17 -1.024 -2.789 -23.187 148 HB3 ASN 17 1HB ASN 17 -1.446 -4.470 -22.870 149 HD21 ASN 17 1HD2 ASN 17 -0.420 -3.458 -25.294 150 HD22 ASN 17 2HD2 ASN 17 -1.605 -3.689 -26.528 151 HA PRO 18 HA PRO 18 -2.184 -3.508 -17.988 152 HB2 PRO 18 2HB PRO 18 -1.032 -6.232 -18.594 153 HB3 PRO 18 1HB PRO 18 -1.997 -5.704 -17.206 154 HG2 PRO 18 2HG PRO 18 -3.135 -7.150 -19.129 155 HG3 PRO 18 1HG PRO 18 -4.015 -5.772 -18.425 156 HD2 PRO 18 2HD PRO 18 -2.530 -5.944 -21.046 157 HD3 PRO 18 1HD PRO 18 -4.099 -5.185 -20.698 158 H GLU 19 H GLU 19 -0.147 -4.350 -20.719 159 HA GLU 19 HA GLU 19 2.444 -4.104 -19.757 160 HB2 GLU 19 2HB GLU 19 1.404 -3.012 -22.408 161 HB3 GLU 19 1HB GLU 19 3.075 -3.446 -22.040 162 HG2 GLU 19 2HG GLU 19 2.415 -5.822 -21.841 163 HG3 GLU 19 1HG GLU 19 0.739 -5.392 -22.184 164 H GLU 20 H GLU 20 0.168 -1.598 -20.718 165 HA GLU 20 HA GLU 20 1.975 0.594 -20.698 166 HB2 GLU 20 2HB GLU 20 -1.067 0.563 -20.586 167 HB3 GLU 20 1HB GLU 20 -0.073 1.971 -20.959 168 HG2 GLU 20 2HG GLU 20 -0.363 -0.553 -22.612 169 HG3 GLU 20 1HG GLU 20 -0.975 1.056 -23.006 170 H ALA 21 H ALA 21 -0.499 -0.536 -18.437 171 HA ALA 21 HA ALA 21 -0.208 1.494 -16.477 172 HB1 ALA 21 1HB ALA 21 -1.542 -0.006 -15.050 173 HB2 ALA 21 2HB ALA 21 -1.291 -1.324 -16.196 174 HB3 ALA 21 3HB ALA 21 -2.221 0.094 -16.680 175 H ARG 22 H ARG 22 1.444 -1.535 -17.056 176 HA ARG 22 HA ARG 22 2.802 -1.871 -14.565 177 HB2 ARG 22 2HB ARG 22 2.286 -3.567 -16.478 178 HB3 ARG 22 1HB ARG 22 3.711 -2.929 -17.276 179 HG2 ARG 22 2HG ARG 22 3.731 -4.210 -14.532 180 HG3 ARG 22 1HG ARG 22 4.006 -5.096 -16.025 181 HD2 ARG 22 2HD ARG 22 5.997 -3.623 -16.452 182 HD3 ARG 22 1HD ARG 22 5.754 -2.901 -14.852 183 HE ARG 22 HE ARG 22 6.088 -5.820 -15.124 184 HH11 ARG 22 1HH1 ARG 22 7.362 -2.803 -13.855 185 HH12 ARG 22 2HH1 ARG 22 8.556 -3.591 -12.871 186 HH21 ARG 22 1HH2 ARG 22 7.649 -6.834 -13.824 187 HH22 ARG 22 2HH2 ARG 22 8.723 -5.875 -12.854 188 H GLU 23 H GLU 23 3.633 -0.403 -17.660 189 HA GLU 23 HA GLU 23 6.384 0.200 -17.070 190 HB2 GLU 23 2HB GLU 23 5.081 -0.157 -19.375 191 HB3 GLU 23 1HB GLU 23 4.758 1.563 -19.256 192 HG2 GLU 23 2HG GLU 23 7.487 0.243 -19.396 193 HG3 GLU 23 1HG GLU 23 6.660 1.039 -20.725 194 H ALA 24 H ALA 24 3.333 1.931 -17.082 195 HA ALA 24 HA ALA 24 4.359 4.548 -16.921 196 HB1 ALA 24 1HB ALA 24 2.031 5.236 -16.706 197 HB2 ALA 24 2HB ALA 24 1.554 3.566 -16.378 198 HB3 ALA 24 3HB ALA 24 2.209 3.999 -17.956 199 H VAL 25 H VAL 25 3.217 2.292 -14.435 200 HA VAL 25 HA VAL 25 2.900 4.163 -12.342 201 HB VAL 25 HB VAL 25 1.889 1.939 -12.183 202 HG11 VAL 25 1HG1 VAL 25 4.712 0.830 -11.937 203 HG12 VAL 25 2HG1 VAL 25 3.601 0.577 -13.285 204 HG13 VAL 25 3HG1 VAL 25 3.224 -0.091 -11.697 205 HG21 VAL 25 1HG2 VAL 25 2.467 1.373 -9.837 206 HG22 VAL 25 2HG2 VAL 25 2.309 3.114 -10.058 207 HG23 VAL 25 3HG2 VAL 25 3.911 2.382 -9.941 208 H GLU 26 H GLU 26 5.701 2.344 -13.453 209 HA GLU 26 HA GLU 26 7.429 2.966 -11.246 210 HB2 GLU 26 2HB GLU 26 8.078 2.018 -14.060 211 HB3 GLU 26 1HB GLU 26 9.205 2.032 -12.703 212 HG2 GLU 26 2HG GLU 26 7.845 0.368 -11.510 213 HG3 GLU 26 1HG GLU 26 6.628 0.424 -12.784 214 H LYS 27 H LYS 27 6.991 4.273 -14.508 215 HA LYS 27 HA LYS 27 8.991 6.292 -14.390 216 HB2 LYS 27 2HB LYS 27 6.510 5.953 -16.114 217 HB3 LYS 27 1HB LYS 27 7.654 7.270 -16.348 218 HG2 LYS 27 2HG LYS 27 8.433 4.342 -16.480 219 HG3 LYS 27 1HG LYS 27 7.926 5.277 -17.889 220 HD2 LYS 27 2HD LYS 27 9.818 6.836 -17.533 221 HD3 LYS 27 1HD LYS 27 10.324 5.907 -16.118 222 HE2 LYS 27 2HE LYS 27 11.673 5.370 -18.128 223 HE3 LYS 27 1HE LYS 27 10.795 3.963 -17.526 224 HZ1 LYS 27 1HZ LYS 27 9.129 4.325 -19.266 225 HZ2 LYS 27 2HZ LYS 27 10.674 4.102 -19.917 226 HZ3 LYS 27 3HZ LYS 27 10.012 5.653 -19.844 227 H ALA 28 H ALA 28 5.632 6.145 -13.400 228 HA ALA 28 HA ALA 28 5.268 8.966 -12.947 229 HB1 ALA 28 1HB ALA 28 3.585 6.610 -12.059 230 HB2 ALA 28 2HB ALA 28 3.372 7.538 -13.545 231 HB3 ALA 28 3HB ALA 28 3.107 8.309 -11.979 232 H GLY 29 H GLY 29 6.298 6.204 -11.078 233 HA2 GLY 29 2HA GLY 29 7.128 5.975 -8.949 234 HA3 GLY 29 1HA GLY 29 7.108 7.728 -8.789 235 H GLY 30 H GLY 30 4.477 5.440 -9.444 236 HA2 GLY 30 2HA GLY 30 2.678 4.762 -8.169 237 HA3 GLY 30 1HA GLY 30 3.315 5.644 -6.796 238 H ASN 31 H ASN 31 3.230 7.820 -9.311 239 HA ASN 31 HA ASN 31 0.865 9.144 -8.225 240 HB2 ASN 31 2HB ASN 31 2.964 10.032 -10.241 241 HB3 ASN 31 1HB ASN 31 1.616 11.046 -9.720 242 HD21 ASN 31 1HD2 ASN 31 4.559 9.433 -8.627 243 HD22 ASN 31 2HD2 ASN 31 4.815 10.435 -7.250 244 H GLU 32 H GLU 32 -1.069 8.697 -9.063 245 HA GLU 32 HA GLU 32 -1.436 6.901 -11.187 246 HB2 GLU 32 2HB GLU 32 -2.864 7.248 -9.107 247 HB3 GLU 32 1HB GLU 32 -3.554 8.663 -9.885 248 HG2 GLU 32 2HG GLU 32 -3.749 5.821 -10.942 249 HG3 GLU 32 1HG GLU 32 -4.975 6.621 -9.969 250 H GLU 33 H GLU 33 -2.413 10.352 -10.939 251 HA GLU 33 HA GLU 33 -3.258 10.444 -13.709 252 HB2 GLU 33 2HB GLU 33 -4.384 11.661 -11.772 253 HB3 GLU 33 1HB GLU 33 -3.018 12.769 -11.758 254 HG2 GLU 33 2HG GLU 33 -3.572 13.554 -14.009 255 HG3 GLU 33 1HG GLU 33 -4.839 12.335 -14.148 256 H GLU 34 H GLU 34 -0.236 10.401 -12.484 257 HA GLU 34 HA GLU 34 0.967 12.097 -14.550 258 HB2 GLU 34 2HB GLU 34 2.079 11.835 -12.324 259 HB3 GLU 34 1HB GLU 34 2.253 10.113 -12.619 260 HG2 GLU 34 2HG GLU 34 4.367 11.151 -13.042 261 HG3 GLU 34 1HG GLU 34 3.703 10.643 -14.595 262 H ALA 35 H ALA 35 0.321 8.723 -13.804 263 HA ALA 35 HA ALA 35 1.826 7.452 -15.805 264 HB1 ALA 35 1HB ALA 35 0.470 5.468 -15.265 265 HB2 ALA 35 2HB ALA 35 -0.666 6.484 -14.372 266 HB3 ALA 35 3HB ALA 35 0.996 6.311 -13.807 267 H ARG 36 H ARG 36 -1.221 9.091 -15.983 268 HA ARG 36 HA ARG 36 -2.447 7.912 -18.206 269 HB2 ARG 36 2HB ARG 36 -3.756 9.949 -18.377 270 HB3 ARG 36 1HB ARG 36 -3.531 9.544 -16.682 271 HG2 ARG 36 2HG ARG 36 -1.791 11.269 -16.488 272 HG3 ARG 36 1HG ARG 36 -1.981 11.660 -18.199 273 HD2 ARG 36 2HD ARG 36 -4.105 11.969 -16.054 274 HD3 ARG 36 1HD ARG 36 -3.164 13.274 -16.783 275 HE ARG 36 HE ARG 36 -4.301 12.209 -18.951 276 HH11 ARG 36 1HH1 ARG 36 -5.795 13.015 -15.859 277 HH12 ARG 36 2HH1 ARG 36 -7.310 13.443 -16.577 278 HH21 ARG 36 1HH2 ARG 36 -6.296 12.773 -19.856 279 HH22 ARG 36 2HH2 ARG 36 -7.595 13.306 -18.836 280 H ARG 37 H ARG 37 0.162 10.270 -18.053 281 HA ARG 37 HA ARG 37 0.169 10.999 -20.848 282 HB2 ARG 37 2HB ARG 37 2.268 11.337 -18.666 283 HB3 ARG 37 1HB ARG 37 2.367 12.062 -20.271 284 HG2 ARG 37 2HG ARG 37 0.385 13.429 -19.805 285 HG3 ARG 37 1HG ARG 37 0.209 12.663 -18.220 286 HD2 ARG 37 2HD ARG 37 1.320 14.915 -18.138 287 HD3 ARG 37 1HD ARG 37 2.301 13.614 -17.452 288 HE ARG 37 HE ARG 37 2.704 14.553 -20.229 289 HH11 ARG 37 1HH1 ARG 37 4.072 13.929 -17.048 290 HH12 ARG 37 2HH1 ARG 37 5.693 14.282 -17.558 291 HH21 ARG 37 1HH2 ARG 37 4.836 15.021 -20.865 292 HH22 ARG 37 2HH2 ARG 37 6.128 14.888 -19.713 293 H ILE 38 H ILE 38 1.516 8.500 -18.903 294 HA ILE 38 HA ILE 38 3.789 7.970 -20.665 295 HB ILE 38 HB ILE 38 3.054 6.527 -18.084 296 HG12 ILE 38 2HG1 ILE 38 4.844 9.002 -18.336 297 HG13 ILE 38 1HG1 ILE 38 3.176 9.059 -17.782 298 HG21 ILE 38 1HG2 ILE 38 4.800 5.404 -19.429 299 HG22 ILE 38 2HG2 ILE 38 5.498 6.063 -17.952 300 HG23 ILE 38 3HG2 ILE 38 5.741 6.896 -19.489 301 HD11 ILE 38 1HD1 ILE 38 5.449 7.643 -16.412 302 HD12 ILE 38 2HD1 ILE 38 3.778 7.689 -15.848 303 HD13 ILE 38 3HD1 ILE 38 4.722 9.176 -15.943 304 H VAL 39 H VAL 39 0.619 6.661 -19.915 305 HA VAL 39 HA VAL 39 0.987 4.152 -21.302 306 HB VAL 39 HB VAL 39 -1.438 3.827 -21.072 307 HG11 VAL 39 1HG1 VAL 39 -0.153 4.835 -18.510 308 HG12 VAL 39 2HG1 VAL 39 0.001 3.217 -19.197 309 HG13 VAL 39 3HG1 VAL 39 -1.564 3.777 -18.611 310 HG21 VAL 39 1HG2 VAL 39 -2.260 6.124 -21.406 311 HG22 VAL 39 2HG2 VAL 39 -1.549 6.631 -19.872 312 HG23 VAL 39 3HG2 VAL 39 -2.877 5.466 -19.892 313 H LYS 40 H LYS 40 -0.441 3.563 -23.152 314 HA LYS 40 HA LYS 40 -0.807 3.609 -25.358 315 HB2 LYS 40 2HB LYS 40 -2.362 5.607 -24.821 316 HB3 LYS 40 1HB LYS 40 -1.040 6.660 -25.302 317 HG2 LYS 40 2HG LYS 40 -1.067 5.451 -27.551 318 HG3 LYS 40 1HG LYS 40 -2.576 4.706 -27.035 319 HD2 LYS 40 2HD LYS 40 -2.152 7.713 -27.213 320 HD3 LYS 40 1HD LYS 40 -2.781 6.749 -28.545 321 HE2 LYS 40 2HE LYS 40 -4.672 7.714 -27.500 322 HE3 LYS 40 1HE LYS 40 -4.659 6.037 -26.959 323 HZ1 LYS 40 1HZ LYS 40 -3.718 6.751 -24.868 324 HZ2 LYS 40 2HZ LYS 40 -5.138 7.607 -25.180 325 HZ3 LYS 40 3HZ LYS 40 -3.642 8.348 -25.408 326 H LYS 41 H LYS 41 1.879 4.162 -24.007 327 HA LYS 41 HA LYS 41 3.506 5.233 -26.189 328 HB2 LYS 41 2HB LYS 41 4.024 5.588 -23.725 329 HB3 LYS 41 1HB LYS 41 4.390 3.880 -23.599 330 HG2 LYS 41 2HG LYS 41 5.884 5.614 -25.579 331 HG3 LYS 41 1HG LYS 41 6.334 5.645 -23.875 332 HD2 LYS 41 2HD LYS 41 6.353 3.191 -25.691 333 HD3 LYS 41 1HD LYS 41 7.768 4.093 -25.140 334 HE2 LYS 41 2HE LYS 41 5.855 2.511 -23.369 335 HE3 LYS 41 1HE LYS 41 7.491 2.037 -23.827 336 HZ1 LYS 41 1HZ LYS 41 8.346 3.919 -22.629 337 HZ2 LYS 41 2HZ LYS 41 7.393 2.965 -21.617 338 HZ3 LYS 41 3HZ LYS 41 6.786 4.420 -22.216 339 H ARG 42 H ARG 42 2.908 3.814 -27.830 340 HA ARG 42 HA ARG 42 3.329 0.909 -27.483 341 HB2 ARG 42 2HB ARG 42 1.761 2.439 -29.604 342 HB3 ARG 42 1HB ARG 42 1.841 0.684 -29.460 343 HG2 ARG 42 2HG ARG 42 0.588 2.608 -27.463 344 HG3 ARG 42 1HG ARG 42 -0.272 1.515 -28.551 345 HD2 ARG 42 2HD ARG 42 1.566 0.670 -26.277 346 HD3 ARG 42 1HD ARG 42 -0.200 0.637 -26.254 347 HE ARG 42 HE ARG 42 0.304 -0.890 -28.392 348 HH11 ARG 42 1HH1 ARG 42 1.767 -1.010 -25.164 349 HH12 ARG 42 2HH1 ARG 42 1.947 -2.736 -25.205 350 HH21 ARG 42 1HH2 ARG 42 0.593 -3.152 -28.372 351 HH22 ARG 42 2HH2 ARG 42 1.321 -3.935 -27.004 352 H LEU 43 H LEU 43 5.266 3.233 -28.185 353 HA LEU 43 HA LEU 43 6.495 2.033 -30.588 354 HB2 LEU 43 2HB LEU 43 7.718 4.202 -30.856 355 HB3 LEU 43 1HB LEU 43 5.993 4.306 -31.111 356 HG LEU 43 HG LEU 43 7.338 5.232 -28.540 357 HD11 LEU 43 1HD1 LEU 43 7.215 7.535 -29.401 358 HD12 LEU 43 2HD1 LEU 43 6.645 6.931 -30.959 359 HD13 LEU 43 3HD1 LEU 43 8.269 6.530 -30.394 360 HD21 LEU 43 1HD2 LEU 43 5.276 6.551 -28.198 361 HD22 LEU 43 2HD2 LEU 43 4.930 4.827 -28.308 362 HD23 LEU 43 3HD2 LEU 43 4.597 5.880 -29.684 Start of MODEL 11 1 HA ARG 1 HA ARG 1 3.486 -1.257 -1.932 2 HB2 ARG 1 2HB ARG 1 5.913 -3.069 -1.961 3 HB3 ARG 1 1HB ARG 1 5.709 -1.877 -3.229 4 HG2 ARG 1 2HG ARG 1 7.172 -0.912 -1.634 5 HG3 ARG 1 1HG ARG 1 5.629 -0.088 -1.444 6 HD2 ARG 1 2HD ARG 1 6.471 -2.390 0.340 7 HD3 ARG 1 1HD ARG 1 6.906 -0.718 0.690 8 HE ARG 1 HE ARG 1 4.262 -0.497 0.451 9 HH11 ARG 1 1HH1 ARG 1 6.140 -2.873 2.256 10 HH12 ARG 1 2HH1 ARG 1 4.925 -3.061 3.482 11 HH21 ARG 1 1HH2 ARG 1 2.690 -0.770 2.068 12 HH22 ARG 1 2HH2 ARG 1 2.979 -1.865 3.385 13 H LYS 2 H LYS 2 1.659 -1.704 -3.105 14 HA LYS 2 HA LYS 2 2.078 -3.243 -5.589 15 HB2 LYS 2 2HB LYS 2 -0.251 -4.099 -5.505 16 HB3 LYS 2 1HB LYS 2 0.710 -4.694 -4.156 17 HG2 LYS 2 2HG LYS 2 -0.347 -3.022 -2.664 18 HG3 LYS 2 1HG LYS 2 -1.323 -2.440 -4.013 19 HD2 LYS 2 2HD LYS 2 -1.419 -5.250 -2.832 20 HD3 LYS 2 1HD LYS 2 -2.602 -3.975 -2.534 21 HE2 LYS 2 2HE LYS 2 -3.152 -3.970 -4.967 22 HE3 LYS 2 1HE LYS 2 -2.027 -5.302 -5.214 23 HZ1 LYS 2 1HZ LYS 2 -4.401 -5.956 -4.997 24 HZ2 LYS 2 2HZ LYS 2 -4.365 -5.435 -3.389 25 HZ3 LYS 2 3HZ LYS 2 -3.380 -6.718 -3.881 26 H TRP 3 H TRP 3 0.828 -2.434 -7.393 27 HA TRP 3 HA TRP 3 0.316 0.466 -7.147 28 HB2 TRP 3 2HB TRP 3 0.853 0.592 -9.556 29 HB3 TRP 3 1HB TRP 3 2.167 -0.106 -8.635 30 HD1 TRP 3 HD1 TRP 3 -0.050 -0.790 -11.601 31 HE1 TRP 3 HE1 TRP 3 0.563 -3.052 -12.648 32 HE3 TRP 3 HE3 TRP 3 3.000 -2.638 -7.904 33 HZ2 TRP 3 HZ2 TRP 3 2.125 -5.307 -12.022 34 HZ3 TRP 3 HZ3 TRP 3 4.008 -4.863 -8.214 35 HH2 TRP 3 HH2 TRP 3 3.580 -6.174 -10.232 36 H GLU 4 H GLU 4 -1.671 -1.011 -6.207 37 HA GLU 4 HA GLU 4 -3.624 -2.046 -7.922 38 HB2 GLU 4 2HB GLU 4 -3.482 -2.484 -5.473 39 HB3 GLU 4 1HB GLU 4 -3.967 -0.831 -5.148 40 HG2 GLU 4 2HG GLU 4 -5.852 -2.287 -4.814 41 HG3 GLU 4 1HG GLU 4 -6.155 -1.264 -6.217 42 H GLU 5 H GLU 5 -3.653 1.067 -6.174 43 HA GLU 5 HA GLU 5 -6.035 2.053 -7.285 44 HB2 GLU 5 2HB GLU 5 -3.714 3.545 -6.002 45 HB3 GLU 5 1HB GLU 5 -5.298 4.254 -6.326 46 HG2 GLU 5 2HG GLU 5 -4.691 1.955 -4.439 47 HG3 GLU 5 1HG GLU 5 -5.105 3.609 -3.989 48 H ILE 6 H ILE 6 -2.747 2.175 -8.425 49 HA ILE 6 HA ILE 6 -3.115 4.314 -10.301 50 HB ILE 6 HB ILE 6 -0.937 2.175 -10.349 51 HG12 ILE 6 2HG1 ILE 6 -0.924 4.865 -8.874 52 HG13 ILE 6 1HG1 ILE 6 -1.023 3.281 -8.113 53 HG21 ILE 6 1HG2 ILE 6 -0.979 5.000 -11.500 54 HG22 ILE 6 2HG2 ILE 6 -1.063 3.498 -12.421 55 HG23 ILE 6 3HG2 ILE 6 0.400 3.898 -11.529 56 HD11 ILE 6 1HD1 ILE 6 1.329 4.339 -9.683 57 HD12 ILE 6 2HD1 ILE 6 1.232 2.756 -8.908 58 HD13 ILE 6 3HD1 ILE 6 1.204 4.223 -7.929 59 H ALA 7 H ALA 7 -2.668 0.775 -10.737 60 HA ALA 7 HA ALA 7 -3.463 0.860 -13.515 61 HB1 ALA 7 1HB ALA 7 -1.659 -0.621 -12.766 62 HB2 ALA 7 2HB ALA 7 -2.966 -1.533 -13.523 63 HB3 ALA 7 3HB ALA 7 -2.799 -1.522 -11.764 64 H GLU 8 H GLU 8 -5.311 1.002 -10.788 65 HA GLU 8 HA GLU 8 -7.468 -0.762 -11.488 66 HB2 GLU 8 2HB GLU 8 -6.969 0.298 -9.158 67 HB3 GLU 8 1HB GLU 8 -7.715 1.761 -9.780 68 HG2 GLU 8 2HG GLU 8 -9.083 -0.942 -9.484 69 HG3 GLU 8 1HG GLU 8 -9.229 0.402 -8.360 70 H ARG 9 H ARG 9 -7.377 2.835 -11.416 71 HA ARG 9 HA ARG 9 -9.478 3.165 -13.281 72 HB2 ARG 9 2HB ARG 9 -8.948 4.949 -11.680 73 HB3 ARG 9 1HB ARG 9 -7.362 5.186 -12.414 74 HG2 ARG 9 2HG ARG 9 -8.454 5.891 -14.523 75 HG3 ARG 9 1HG ARG 9 -10.038 5.664 -13.780 76 HD2 ARG 9 2HD ARG 9 -9.579 7.456 -12.189 77 HD3 ARG 9 1HD ARG 9 -7.931 7.624 -12.807 78 HE ARG 9 HE ARG 9 -9.601 7.989 -14.982 79 HH11 ARG 9 1HH1 ARG 9 -9.155 9.606 -11.892 80 HH12 ARG 9 2HH1 ARG 9 -9.559 11.170 -12.520 81 HH21 ARG 9 1HH2 ARG 9 -10.111 10.046 -15.793 82 HH22 ARG 9 2HH2 ARG 9 -10.124 11.416 -14.727 83 H LEU 10 H LEU 10 -5.916 3.425 -13.617 84 HA LEU 10 HA LEU 10 -5.758 4.506 -16.149 85 HB2 LEU 10 2HB LEU 10 -3.877 4.176 -14.487 86 HB3 LEU 10 1HB LEU 10 -3.779 2.507 -15.010 87 HG LEU 10 HG LEU 10 -3.191 3.284 -17.324 88 HD11 LEU 10 1HD1 LEU 10 -4.256 5.484 -17.321 89 HD12 LEU 10 2HD1 LEU 10 -2.545 5.631 -17.714 90 HD13 LEU 10 3HD1 LEU 10 -3.118 6.063 -16.099 91 HD21 LEU 10 1HD2 LEU 10 -1.346 4.334 -15.146 92 HD22 LEU 10 2HD2 LEU 10 -0.887 4.005 -16.820 93 HD23 LEU 10 3HD2 LEU 10 -1.390 2.682 -15.772 94 H ARG 11 H ARG 11 -6.228 1.118 -15.277 95 HA ARG 11 HA ARG 11 -5.685 -0.158 -17.710 96 HB2 ARG 11 2HB ARG 11 -6.108 -1.277 -15.473 97 HB3 ARG 11 1HB ARG 11 -7.827 -0.970 -15.694 98 HG2 ARG 11 2HG ARG 11 -7.540 -2.308 -17.929 99 HG3 ARG 11 1HG ARG 11 -6.028 -2.871 -17.223 100 HD2 ARG 11 2HD ARG 11 -7.641 -4.549 -16.732 101 HD3 ARG 11 1HD ARG 11 -7.421 -3.663 -15.223 102 HE ARG 11 HE ARG 11 -9.520 -2.444 -15.782 103 HH11 ARG 11 1HH1 ARG 11 -8.991 -5.622 -17.201 104 HH12 ARG 11 2HH1 ARG 11 -10.678 -5.921 -17.463 105 HH21 ARG 11 1HH2 ARG 11 -11.743 -2.848 -16.186 106 HH22 ARG 11 2HH2 ARG 11 -12.218 -4.337 -16.932 107 H GLU 12 H GLU 12 -8.698 1.339 -16.520 108 HA GLU 12 HA GLU 12 -10.054 0.752 -19.101 109 HB2 GLU 12 2HB GLU 12 -10.875 -0.396 -16.933 110 HB3 GLU 12 1HB GLU 12 -11.424 1.201 -16.440 111 HG2 GLU 12 2HG GLU 12 -12.931 1.301 -18.388 112 HG3 GLU 12 1HG GLU 12 -12.367 -0.280 -18.925 113 H GLU 13 H GLU 13 -8.509 3.178 -17.652 114 HA GLU 13 HA GLU 13 -10.268 5.412 -17.733 115 HB2 GLU 13 2HB GLU 13 -8.111 5.306 -16.451 116 HB3 GLU 13 1HB GLU 13 -7.229 5.331 -17.962 117 HG2 GLU 13 2HG GLU 13 -9.027 7.603 -17.077 118 HG3 GLU 13 1HG GLU 13 -7.330 7.503 -16.622 119 H PHE 14 H PHE 14 -7.676 4.375 -19.952 120 HA PHE 14 HA PHE 14 -9.108 5.575 -22.252 121 HB2 PHE 14 2HB PHE 14 -6.747 6.349 -21.825 122 HB3 PHE 14 1HB PHE 14 -6.192 4.691 -22.042 123 HD1 PHE 14 HD1 PHE 14 -5.343 4.148 -24.181 124 HD2 PHE 14 HD2 PHE 14 -8.263 7.249 -23.852 125 HE1 PHE 14 HE1 PHE 14 -5.173 4.564 -26.598 126 HE2 PHE 14 HE2 PHE 14 -8.084 7.663 -26.264 127 HZ PHE 14 HZ PHE 14 -6.545 6.326 -27.640 128 H ASN 15 H ASN 15 -8.810 2.735 -20.647 129 HA ASN 15 HA ASN 15 -8.883 0.541 -20.961 130 HB2 ASN 15 2HB ASN 15 -11.020 1.048 -22.117 131 HB3 ASN 15 1HB ASN 15 -10.163 1.135 -23.651 132 HD21 ASN 15 1HD2 ASN 15 -9.544 -0.796 -24.666 133 HD22 ASN 15 2HD2 ASN 15 -10.023 -2.358 -24.098 134 H ILE 16 H ILE 16 -6.667 0.435 -20.925 135 HA ILE 16 HA ILE 16 -5.262 -0.183 -23.465 136 HB ILE 16 HB ILE 16 -3.153 0.537 -22.245 137 HG12 ILE 16 2HG1 ILE 16 -5.153 1.548 -20.147 138 HG13 ILE 16 1HG1 ILE 16 -3.908 0.326 -19.907 139 HG21 ILE 16 1HG2 ILE 16 -5.249 2.715 -22.589 140 HG22 ILE 16 2HG2 ILE 16 -4.222 2.046 -23.859 141 HG23 ILE 16 3HG2 ILE 16 -3.501 2.961 -22.537 142 HD11 ILE 16 1HD1 ILE 16 -3.441 3.260 -20.430 143 HD12 ILE 16 2HD1 ILE 16 -2.182 2.040 -20.216 144 HD13 ILE 16 3HD1 ILE 16 -3.279 2.421 -18.890 145 H ASN 17 H ASN 17 -3.462 -1.724 -23.186 146 HA ASN 17 HA ASN 17 -4.084 -4.031 -21.626 147 HB2 ASN 17 2HB ASN 17 -1.554 -3.246 -23.145 148 HB3 ASN 17 1HB ASN 17 -1.780 -4.810 -22.372 149 HD21 ASN 17 1HD2 ASN 17 -1.571 -5.891 -24.364 150 HD22 ASN 17 2HD2 ASN 17 -2.806 -5.863 -25.570 151 HA PRO 18 HA PRO 18 -2.213 -2.780 -17.690 152 HB2 PRO 18 2HB PRO 18 -1.841 -5.758 -17.393 153 HB3 PRO 18 1HB PRO 18 -2.523 -4.590 -16.247 154 HG2 PRO 18 2HG PRO 18 -4.158 -6.182 -17.618 155 HG3 PRO 18 1HG PRO 18 -4.578 -4.466 -17.399 156 HD2 PRO 18 2HD PRO 18 -3.407 -5.839 -19.820 157 HD3 PRO 18 1HD PRO 18 -4.693 -4.613 -19.739 158 H GLU 19 H GLU 19 -0.598 -4.780 -20.062 159 HA GLU 19 HA GLU 19 2.049 -4.722 -19.064 160 HB2 GLU 19 2HB GLU 19 1.333 -6.195 -20.903 161 HB3 GLU 19 1HB GLU 19 1.023 -4.807 -21.936 162 HG2 GLU 19 2HG GLU 19 3.426 -4.278 -21.975 163 HG3 GLU 19 1HG GLU 19 3.760 -5.632 -20.893 164 H GLU 20 H GLU 20 0.428 -2.625 -21.458 165 HA GLU 20 HA GLU 20 2.563 -0.760 -21.753 166 HB2 GLU 20 2HB GLU 20 -0.387 -0.349 -22.406 167 HB3 GLU 20 1HB GLU 20 0.975 0.544 -23.083 168 HG2 GLU 20 2HG GLU 20 0.348 -2.391 -23.531 169 HG3 GLU 20 1HG GLU 20 0.049 -1.083 -24.669 170 H ALA 21 H ALA 21 -0.269 -0.949 -19.716 171 HA ALA 21 HA ALA 21 -0.291 1.630 -18.582 172 HB1 ALA 21 1HB ALA 21 -1.689 0.636 -16.825 173 HB2 ALA 21 2HB ALA 21 -1.241 -0.987 -17.361 174 HB3 ALA 21 3HB ALA 21 -2.191 0.060 -18.417 175 H ARG 22 H ARG 22 1.250 -1.422 -17.555 176 HA ARG 22 HA ARG 22 2.145 -0.585 -15.037 177 HB2 ARG 22 2HB ARG 22 1.976 -2.962 -15.736 178 HB3 ARG 22 1HB ARG 22 3.350 -2.738 -16.812 179 HG2 ARG 22 2HG ARG 22 4.758 -2.189 -14.787 180 HG3 ARG 22 1HG ARG 22 3.372 -2.603 -13.772 181 HD2 ARG 22 2HD ARG 22 4.964 -4.488 -13.948 182 HD3 ARG 22 1HD ARG 22 3.395 -4.905 -14.648 183 HE ARG 22 HE ARG 22 5.395 -3.887 -16.501 184 HH11 ARG 22 1HH1 ARG 22 3.922 -6.774 -15.147 185 HH12 ARG 22 2HH1 ARG 22 4.453 -7.794 -16.444 186 HH21 ARG 22 1HH2 ARG 22 6.070 -5.220 -18.191 187 HH22 ARG 22 2HH2 ARG 22 5.651 -6.905 -18.191 188 H GLU 23 H GLU 23 3.769 -0.465 -18.211 189 HA GLU 23 HA GLU 23 6.303 0.418 -17.422 190 HB2 GLU 23 2HB GLU 23 5.787 -0.261 -19.732 191 HB3 GLU 23 1HB GLU 23 4.718 1.119 -19.930 192 HG2 GLU 23 2HG GLU 23 6.848 1.488 -21.075 193 HG3 GLU 23 1HG GLU 23 6.611 2.665 -19.788 194 H ALA 24 H ALA 24 3.410 2.351 -18.236 195 HA ALA 24 HA ALA 24 4.476 4.911 -17.668 196 HB1 ALA 24 1HB ALA 24 1.581 3.994 -17.597 197 HB2 ALA 24 2HB ALA 24 2.455 4.563 -19.022 198 HB3 ALA 24 3HB ALA 24 2.139 5.667 -17.683 199 H VAL 25 H VAL 25 2.942 2.483 -15.613 200 HA VAL 25 HA VAL 25 2.542 4.031 -13.272 201 HB VAL 25 HB VAL 25 3.035 1.027 -13.546 202 HG11 VAL 25 1HG1 VAL 25 1.930 2.573 -11.174 203 HG12 VAL 25 2HG1 VAL 25 3.483 1.741 -11.251 204 HG13 VAL 25 3HG1 VAL 25 1.990 0.811 -11.314 205 HG21 VAL 25 1HG2 VAL 25 1.020 1.711 -14.757 206 HG22 VAL 25 2HG2 VAL 25 0.409 2.549 -13.337 207 HG23 VAL 25 3HG2 VAL 25 0.576 0.793 -13.322 208 H GLU 26 H GLU 26 5.290 2.110 -14.450 209 HA GLU 26 HA GLU 26 6.928 2.298 -12.134 210 HB2 GLU 26 2HB GLU 26 7.725 1.830 -15.039 211 HB3 GLU 26 1HB GLU 26 8.768 1.556 -13.645 212 HG2 GLU 26 2HG GLU 26 6.202 0.068 -14.267 213 HG3 GLU 26 1HG GLU 26 7.829 -0.535 -14.539 214 H LYS 27 H LYS 27 6.473 4.319 -14.965 215 HA LYS 27 HA LYS 27 8.689 6.078 -14.539 216 HB2 LYS 27 2HB LYS 27 6.143 6.552 -16.123 217 HB3 LYS 27 1HB LYS 27 7.614 7.508 -16.239 218 HG2 LYS 27 2HG LYS 27 7.333 4.597 -17.047 219 HG3 LYS 27 1HG LYS 27 7.287 5.970 -18.142 220 HD2 LYS 27 2HD LYS 27 9.485 5.284 -18.422 221 HD3 LYS 27 1HD LYS 27 9.696 6.480 -17.147 222 HE2 LYS 27 2HE LYS 27 9.823 4.708 -15.467 223 HE3 LYS 27 1HE LYS 27 9.460 3.484 -16.685 224 HZ1 LYS 27 1HZ LYS 27 11.843 5.239 -16.777 225 HZ2 LYS 27 2HZ LYS 27 11.533 3.886 -17.741 226 HZ3 LYS 27 3HZ LYS 27 11.845 3.698 -16.092 227 H ALA 28 H ALA 28 5.342 6.004 -13.490 228 HA ALA 28 HA ALA 28 5.330 8.632 -12.283 229 HB1 ALA 28 1HB ALA 28 3.124 7.930 -11.394 230 HB2 ALA 28 2HB ALA 28 3.406 6.292 -11.993 231 HB3 ALA 28 3HB ALA 28 3.254 7.634 -13.129 232 H GLY 29 H GLY 29 4.759 5.466 -10.758 233 HA2 GLY 29 2HA GLY 29 6.285 4.569 -9.077 234 HA3 GLY 29 1HA GLY 29 6.484 6.207 -8.465 235 H GLY 30 H GLY 30 4.030 7.190 -8.290 236 HA2 GLY 30 2HA GLY 30 2.293 5.368 -6.800 237 HA3 GLY 30 1HA GLY 30 3.078 6.642 -5.870 238 H ASN 31 H ASN 31 2.625 8.058 -8.789 239 HA ASN 31 HA ASN 31 -0.029 9.146 -8.068 240 HB2 ASN 31 2HB ASN 31 2.167 10.402 -9.784 241 HB3 ASN 31 1HB ASN 31 0.619 11.154 -9.410 242 HD21 ASN 31 1HD2 ASN 31 3.256 12.186 -8.841 243 HD22 ASN 31 2HD2 ASN 31 3.357 12.392 -7.129 244 H GLU 32 H GLU 32 -1.620 8.212 -9.221 245 HA GLU 32 HA GLU 32 -1.273 6.764 -11.646 246 HB2 GLU 32 2HB GLU 32 -3.003 6.191 -10.021 247 HB3 GLU 32 1HB GLU 32 -3.788 7.743 -10.237 248 HG2 GLU 32 2HG GLU 32 -3.526 5.914 -12.627 249 HG3 GLU 32 1HG GLU 32 -4.727 5.531 -11.397 250 H GLU 33 H GLU 33 -2.429 10.018 -10.912 251 HA GLU 33 HA GLU 33 -3.316 10.770 -13.477 252 HB2 GLU 33 2HB GLU 33 -2.136 12.504 -11.263 253 HB3 GLU 33 1HB GLU 33 -3.056 13.108 -12.642 254 HG2 GLU 33 2HG GLU 33 -5.048 11.843 -11.843 255 HG3 GLU 33 1HG GLU 33 -4.119 11.277 -10.455 256 H GLU 34 H GLU 34 -0.081 10.765 -12.022 257 HA GLU 34 HA GLU 34 1.287 12.130 -14.124 258 HB2 GLU 34 2HB GLU 34 2.241 11.855 -11.824 259 HB3 GLU 34 1HB GLU 34 2.399 10.128 -12.103 260 HG2 GLU 34 2HG GLU 34 4.559 11.179 -12.376 261 HG3 GLU 34 1HG GLU 34 4.012 10.566 -13.932 262 H ALA 35 H ALA 35 0.741 8.682 -13.369 263 HA ALA 35 HA ALA 35 2.106 7.507 -15.532 264 HB1 ALA 35 1HB ALA 35 0.744 5.513 -15.058 265 HB2 ALA 35 2HB ALA 35 -0.348 6.484 -14.062 266 HB3 ALA 35 3HB ALA 35 1.330 6.253 -13.566 267 H ARG 36 H ARG 36 -1.049 8.984 -15.317 268 HA ARG 36 HA ARG 36 -2.193 8.015 -17.746 269 HB2 ARG 36 2HB ARG 36 -3.392 8.989 -15.708 270 HB3 ARG 36 1HB ARG 36 -2.895 10.581 -16.267 271 HG2 ARG 36 2HG ARG 36 -4.156 10.110 -18.426 272 HG3 ARG 36 1HG ARG 36 -4.765 8.635 -17.666 273 HD2 ARG 36 2HD ARG 36 -5.270 11.505 -16.817 274 HD3 ARG 36 1HD ARG 36 -6.450 10.322 -17.390 275 HE ARG 36 HE ARG 36 -5.486 9.115 -15.181 276 HH11 ARG 36 1HH1 ARG 36 -6.872 12.302 -15.704 277 HH12 ARG 36 2HH1 ARG 36 -7.281 12.521 -14.034 278 HH21 ARG 36 1HH2 ARG 36 -6.069 9.410 -13.024 279 HH22 ARG 36 2HH2 ARG 36 -6.857 10.876 -12.529 280 H ARG 37 H ARG 37 -0.209 10.815 -16.900 281 HA ARG 37 HA ARG 37 -0.386 12.252 -19.362 282 HB2 ARG 37 2HB ARG 37 1.946 12.189 -17.392 283 HB3 ARG 37 1HB ARG 37 1.651 13.425 -18.609 284 HG2 ARG 37 2HG ARG 37 -0.145 12.888 -16.229 285 HG3 ARG 37 1HG ARG 37 1.129 14.106 -16.270 286 HD2 ARG 37 2HD ARG 37 -0.091 15.116 -18.280 287 HD3 ARG 37 1HD ARG 37 -1.438 14.043 -17.879 288 HE ARG 37 HE ARG 37 -1.444 15.123 -15.635 289 HH11 ARG 37 1HH1 ARG 37 -0.272 16.954 -18.407 290 HH12 ARG 37 2HH1 ARG 37 -0.419 18.485 -17.605 291 HH21 ARG 37 1HH2 ARG 37 -1.595 17.154 -14.594 292 HH22 ARG 37 2HH2 ARG 37 -1.165 18.599 -15.450 293 H ILE 38 H ILE 38 1.649 9.677 -18.139 294 HA ILE 38 HA ILE 38 3.702 9.949 -20.159 295 HB ILE 38 HB ILE 38 3.394 7.982 -17.843 296 HG12 ILE 38 2HG1 ILE 38 5.125 10.506 -18.072 297 HG13 ILE 38 1HG1 ILE 38 3.594 10.427 -17.211 298 HG21 ILE 38 1HG2 ILE 38 5.832 7.531 -18.124 299 HG22 ILE 38 2HG2 ILE 38 5.837 8.518 -19.588 300 HG23 ILE 38 3HG2 ILE 38 4.902 7.023 -19.531 301 HD11 ILE 38 1HD1 ILE 38 5.447 10.358 -15.682 302 HD12 ILE 38 2HD1 ILE 38 6.121 8.949 -16.498 303 HD13 ILE 38 3HD1 ILE 38 4.584 8.820 -15.637 304 H VAL 39 H VAL 39 0.973 7.759 -19.553 305 HA VAL 39 HA VAL 39 1.772 5.782 -21.454 306 HB VAL 39 HB VAL 39 0.121 5.230 -19.696 307 HG11 VAL 39 1HG1 VAL 39 -1.161 7.313 -19.584 308 HG12 VAL 39 2HG1 VAL 39 -2.237 5.941 -19.843 309 HG13 VAL 39 3HG1 VAL 39 -1.838 7.014 -21.187 310 HG21 VAL 39 1HG2 VAL 39 0.200 3.832 -21.721 311 HG22 VAL 39 2HG2 VAL 39 -1.000 4.863 -22.505 312 HG23 VAL 39 3HG2 VAL 39 -1.442 3.914 -21.086 313 H LYS 40 H LYS 40 1.561 5.723 -23.599 314 HA LYS 40 HA LYS 40 0.908 7.966 -25.194 315 HB2 LYS 40 2HB LYS 40 1.135 6.276 -27.104 316 HB3 LYS 40 1HB LYS 40 2.513 6.403 -26.018 317 HG2 LYS 40 2HG LYS 40 1.688 4.363 -24.812 318 HG3 LYS 40 1HG LYS 40 0.428 4.191 -26.036 319 HD2 LYS 40 2HD LYS 40 2.144 3.882 -27.774 320 HD3 LYS 40 1HD LYS 40 3.423 4.140 -26.581 321 HE2 LYS 40 2HE LYS 40 2.658 2.124 -25.355 322 HE3 LYS 40 1HE LYS 40 1.421 1.852 -26.582 323 HZ1 LYS 40 1HZ LYS 40 3.378 0.480 -26.929 324 HZ2 LYS 40 2HZ LYS 40 4.350 1.860 -27.061 325 HZ3 LYS 40 3HZ LYS 40 3.154 1.556 -28.216 326 H LYS 41 H LYS 41 -1.083 8.777 -25.419 327 HA LYS 41 HA LYS 41 -3.338 7.116 -26.225 328 HB2 LYS 41 2HB LYS 41 -4.829 7.901 -24.422 329 HB3 LYS 41 1HB LYS 41 -3.497 6.950 -23.780 330 HG2 LYS 41 2HG LYS 41 -2.410 8.862 -22.870 331 HG3 LYS 41 1HG LYS 41 -3.408 9.979 -23.807 332 HD2 LYS 41 2HD LYS 41 -4.404 8.181 -21.558 333 HD3 LYS 41 1HD LYS 41 -4.078 9.915 -21.420 334 HE2 LYS 41 2HE LYS 41 -5.849 10.427 -23.022 335 HE3 LYS 41 1HE LYS 41 -6.134 8.713 -23.329 336 HZ1 LYS 41 1HZ LYS 41 -6.558 10.097 -20.742 337 HZ2 LYS 41 2HZ LYS 41 -6.849 8.462 -21.021 338 HZ3 LYS 41 3HZ LYS 41 -7.769 9.638 -21.819 339 H ARG 42 H ARG 42 -5.311 8.432 -26.677 340 HA ARG 42 HA ARG 42 -5.089 11.295 -26.980 341 HB2 ARG 42 2HB ARG 42 -5.483 11.310 -29.454 342 HB3 ARG 42 1HB ARG 42 -3.902 10.670 -29.025 343 HG2 ARG 42 2HG ARG 42 -4.666 8.388 -29.433 344 HG3 ARG 42 1HG ARG 42 -6.307 8.960 -29.739 345 HD2 ARG 42 2HD ARG 42 -5.384 10.300 -31.676 346 HD3 ARG 42 1HD ARG 42 -3.837 9.485 -31.420 347 HE ARG 42 HE ARG 42 -5.446 7.380 -31.682 348 HH11 ARG 42 1HH1 ARG 42 -5.296 10.293 -33.658 349 HH12 ARG 42 2HH1 ARG 42 -5.841 9.491 -35.096 350 HH21 ARG 42 1HH2 ARG 42 -6.188 6.353 -33.575 351 HH22 ARG 42 2HH2 ARG 42 -6.384 7.268 -35.037 352 H LEU 43 H LEU 43 -7.059 12.039 -26.423 353 HA LEU 43 HA LEU 43 -9.450 10.349 -26.668 354 HB2 LEU 43 2HB LEU 43 -9.039 13.043 -25.280 355 HB3 LEU 43 1HB LEU 43 -10.538 12.125 -25.272 356 HG LEU 43 HG LEU 43 -7.910 11.222 -24.013 357 HD11 LEU 43 1HD1 LEU 43 -8.969 13.031 -22.730 358 HD12 LEU 43 2HD1 LEU 43 -9.049 11.504 -21.853 359 HD13 LEU 43 3HD1 LEU 43 -10.483 12.124 -22.679 360 HD21 LEU 43 1HD2 LEU 43 -9.177 9.291 -24.837 361 HD22 LEU 43 2HD2 LEU 43 -10.622 9.852 -23.991 362 HD23 LEU 43 3HD2 LEU 43 -9.200 9.342 -23.076 Start of MODEL 12 1 HA ARG 1 HA ARG 1 -0.100 4.781 -3.748 2 HB2 ARG 1 2HB ARG 1 -0.742 5.880 -6.525 3 HB3 ARG 1 1HB ARG 1 -1.264 4.284 -6.017 4 HG2 ARG 1 2HG ARG 1 -3.119 5.803 -5.810 5 HG3 ARG 1 1HG ARG 1 -2.607 5.334 -4.190 6 HD2 ARG 1 2HD ARG 1 -1.533 7.463 -3.843 7 HD3 ARG 1 1HD ARG 1 -1.758 7.907 -5.538 8 HE ARG 1 HE ARG 1 -4.288 7.597 -4.808 9 HH11 ARG 1 1HH1 ARG 1 -1.730 9.203 -3.023 10 HH12 ARG 1 2HH1 ARG 1 -2.769 10.454 -2.433 11 HH21 ARG 1 1HH2 ARG 1 -5.620 9.275 -4.072 12 HH22 ARG 1 2HH2 ARG 1 -4.971 10.505 -3.035 13 H LYS 2 H LYS 2 -0.074 2.784 -5.392 14 HA LYS 2 HA LYS 2 2.513 2.519 -6.809 15 HB2 LYS 2 2HB LYS 2 1.306 0.223 -5.180 16 HB3 LYS 2 1HB LYS 2 2.867 0.269 -5.978 17 HG2 LYS 2 2HG LYS 2 3.463 0.467 -3.742 18 HG3 LYS 2 1HG LYS 2 3.436 2.157 -4.253 19 HD2 LYS 2 2HD LYS 2 1.159 2.402 -3.309 20 HD3 LYS 2 1HD LYS 2 1.181 0.710 -2.809 21 HE2 LYS 2 2HE LYS 2 3.041 1.185 -1.268 22 HE3 LYS 2 1HE LYS 2 3.063 2.869 -1.800 23 HZ1 LYS 2 1HZ LYS 2 0.840 1.495 -0.396 24 HZ2 LYS 2 2HZ LYS 2 0.772 3.077 -0.979 25 HZ3 LYS 2 3HZ LYS 2 1.859 2.677 0.255 26 H TRP 3 H TRP 3 1.975 -0.170 -7.687 27 HA TRP 3 HA TRP 3 -0.050 0.297 -9.726 28 HB2 TRP 3 2HB TRP 3 2.245 -0.704 -10.183 29 HB3 TRP 3 1HB TRP 3 1.739 -2.141 -9.303 30 HD1 TRP 3 HD1 TRP 3 0.140 -0.102 -12.223 31 HE1 TRP 3 HE1 TRP 3 -0.622 -1.752 -14.023 32 HE3 TRP 3 HE3 TRP 3 1.639 -4.478 -10.029 33 HZ2 TRP 3 HZ2 TRP 3 -0.592 -4.518 -14.495 34 HZ3 TRP 3 HZ3 TRP 3 1.231 -6.589 -11.233 35 HH2 TRP 3 HH2 TRP 3 0.136 -6.609 -13.418 36 H GLU 4 H GLU 4 -0.927 -0.136 -6.870 37 HA GLU 4 HA GLU 4 -2.654 -2.524 -7.197 38 HB2 GLU 4 2HB GLU 4 -2.986 -2.040 -4.570 39 HB3 GLU 4 1HB GLU 4 -1.648 -2.992 -5.182 40 HG2 GLU 4 2HG GLU 4 -0.781 -1.559 -3.497 41 HG3 GLU 4 1HG GLU 4 -0.186 -0.964 -5.040 42 H GLU 5 H GLU 5 -2.635 0.932 -6.643 43 HA GLU 5 HA GLU 5 -5.581 1.081 -6.575 44 HB2 GLU 5 2HB GLU 5 -4.498 2.431 -4.863 45 HB3 GLU 5 1HB GLU 5 -3.397 3.152 -6.028 46 HG2 GLU 5 2HG GLU 5 -5.106 4.764 -5.365 47 HG3 GLU 5 1HG GLU 5 -5.269 4.371 -7.074 48 H ILE 6 H ILE 6 -2.778 2.414 -8.372 49 HA ILE 6 HA ILE 6 -4.323 4.034 -10.102 50 HB ILE 6 HB ILE 6 -1.517 3.002 -10.700 51 HG12 ILE 6 2HG1 ILE 6 -2.332 5.451 -9.058 52 HG13 ILE 6 1HG1 ILE 6 -1.575 3.993 -8.427 53 HG21 ILE 6 1HG2 ILE 6 -2.955 5.536 -11.629 54 HG22 ILE 6 2HG2 ILE 6 -2.610 4.121 -12.623 55 HG23 ILE 6 3HG2 ILE 6 -1.284 5.107 -12.011 56 HD11 ILE 6 1HD1 ILE 6 0.441 4.488 -9.711 57 HD12 ILE 6 2HD1 ILE 6 0.002 5.798 -8.617 58 HD13 ILE 6 3HD1 ILE 6 -0.325 5.952 -10.341 59 H ALA 7 H ALA 7 -3.045 0.749 -10.420 60 HA ALA 7 HA ALA 7 -3.377 0.171 -13.118 61 HB1 ALA 7 1HB ALA 7 -3.488 -2.192 -12.446 62 HB2 ALA 7 2HB ALA 7 -3.843 -1.718 -10.784 63 HB3 ALA 7 3HB ALA 7 -2.275 -1.335 -11.492 64 H GLU 8 H GLU 8 -5.786 0.261 -10.561 65 HA GLU 8 HA GLU 8 -7.990 -0.911 -11.873 66 HB2 GLU 8 2HB GLU 8 -7.899 -0.497 -9.415 67 HB3 GLU 8 1HB GLU 8 -7.918 1.236 -9.701 68 HG2 GLU 8 2HG GLU 8 -10.113 0.616 -9.013 69 HG3 GLU 8 1HG GLU 8 -10.196 0.990 -10.732 70 H ARG 9 H ARG 9 -7.297 2.551 -11.284 71 HA ARG 9 HA ARG 9 -9.472 3.480 -12.889 72 HB2 ARG 9 2HB ARG 9 -8.439 4.645 -10.828 73 HB3 ARG 9 1HB ARG 9 -7.139 5.174 -11.886 74 HG2 ARG 9 2HG ARG 9 -8.470 7.038 -12.107 75 HG3 ARG 9 1HG ARG 9 -9.251 6.069 -13.352 76 HD2 ARG 9 2HD ARG 9 -10.213 6.767 -10.585 77 HD3 ARG 9 1HD ARG 9 -11.062 6.878 -12.123 78 HE ARG 9 HE ARG 9 -11.259 4.397 -12.053 79 HH11 ARG 9 1HH1 ARG 9 -10.694 6.099 -9.035 80 HH12 ARG 9 2HH1 ARG 9 -11.394 4.847 -8.055 81 HH21 ARG 9 1HH2 ARG 9 -12.150 2.750 -10.743 82 HH22 ARG 9 2HH2 ARG 9 -12.219 2.966 -9.017 83 H LEU 10 H LEU 10 -6.214 2.678 -13.598 84 HA LEU 10 HA LEU 10 -5.653 4.542 -15.673 85 HB2 LEU 10 2HB LEU 10 -3.978 3.202 -14.216 86 HB3 LEU 10 1HB LEU 10 -4.268 1.862 -15.313 87 HG LEU 10 HG LEU 10 -3.472 3.298 -17.222 88 HD11 LEU 10 1HD1 LEU 10 -2.285 5.398 -16.748 89 HD12 LEU 10 2HD1 LEU 10 -2.738 5.291 -15.046 90 HD13 LEU 10 3HD1 LEU 10 -3.979 5.507 -16.284 91 HD21 LEU 10 1HD2 LEU 10 -1.075 3.198 -16.676 92 HD22 LEU 10 2HD2 LEU 10 -1.906 1.742 -16.143 93 HD23 LEU 10 3HD2 LEU 10 -1.461 2.976 -14.966 94 H ARG 11 H ARG 11 -6.827 1.233 -15.581 95 HA ARG 11 HA ARG 11 -6.950 0.770 -18.413 96 HB2 ARG 11 2HB ARG 11 -8.475 -0.600 -16.153 97 HB3 ARG 11 1HB ARG 11 -8.301 -1.211 -17.798 98 HG2 ARG 11 2HG ARG 11 -5.919 -1.561 -17.488 99 HG3 ARG 11 1HG ARG 11 -5.963 -0.760 -15.916 100 HD2 ARG 11 2HD ARG 11 -7.308 -3.395 -16.620 101 HD3 ARG 11 1HD ARG 11 -5.858 -3.188 -15.632 102 HE ARG 11 HE ARG 11 -8.133 -1.738 -14.615 103 HH11 ARG 11 1HH1 ARG 11 -6.499 -4.848 -14.544 104 HH12 ARG 11 2HH1 ARG 11 -7.293 -5.356 -13.089 105 HH21 ARG 11 1HH2 ARG 11 -9.169 -2.420 -12.734 106 HH22 ARG 11 2HH2 ARG 11 -8.799 -3.976 -12.057 107 H GLU 12 H GLU 12 -9.078 2.162 -16.015 108 HA GLU 12 HA GLU 12 -11.438 2.330 -17.679 109 HB2 GLU 12 2HB GLU 12 -10.764 3.742 -15.061 110 HB3 GLU 12 1HB GLU 12 -12.365 3.653 -15.800 111 HG2 GLU 12 2HG GLU 12 -12.289 1.156 -15.552 112 HG3 GLU 12 1HG GLU 12 -10.744 1.319 -14.726 113 H GLU 13 H GLU 13 -8.613 4.267 -17.106 114 HA GLU 13 HA GLU 13 -9.560 6.730 -18.247 115 HB2 GLU 13 2HB GLU 13 -7.168 5.837 -16.874 116 HB3 GLU 13 1HB GLU 13 -6.640 6.455 -18.430 117 HG2 GLU 13 2HG GLU 13 -8.343 8.001 -16.452 118 HG3 GLU 13 1HG GLU 13 -6.590 8.132 -16.580 119 H PHE 14 H PHE 14 -7.103 4.432 -19.390 120 HA PHE 14 HA PHE 14 -8.109 4.629 -22.161 121 HB2 PHE 14 2HB PHE 14 -5.235 4.639 -21.144 122 HB3 PHE 14 1HB PHE 14 -5.630 4.169 -22.794 123 HD1 PHE 14 HD1 PHE 14 -5.853 7.021 -20.375 124 HD2 PHE 14 HD2 PHE 14 -5.986 5.809 -24.473 125 HE1 PHE 14 HE1 PHE 14 -5.781 9.366 -21.084 126 HE2 PHE 14 HE2 PHE 14 -5.912 8.164 -25.167 127 HZ PHE 14 HZ PHE 14 -5.802 9.945 -23.478 128 H ASN 15 H ASN 15 -8.688 2.684 -22.968 129 HA ASN 15 HA ASN 15 -8.172 0.209 -21.571 130 HB2 ASN 15 2HB ASN 15 -9.439 0.737 -24.300 131 HB3 ASN 15 1HB ASN 15 -9.338 -0.847 -23.542 132 HD21 ASN 15 1HD2 ASN 15 -9.922 0.147 -20.821 133 HD22 ASN 15 2HD2 ASN 15 -11.596 0.559 -20.827 134 H ILE 16 H ILE 16 -6.007 -0.026 -21.503 135 HA ILE 16 HA ILE 16 -4.376 -0.018 -23.989 136 HB ILE 16 HB ILE 16 -2.419 0.385 -22.378 137 HG12 ILE 16 2HG1 ILE 16 -4.697 0.834 -20.374 138 HG13 ILE 16 1HG1 ILE 16 -3.444 -0.399 -20.273 139 HG21 ILE 16 1HG2 ILE 16 -3.334 2.219 -23.734 140 HG22 ILE 16 2HG2 ILE 16 -2.817 2.808 -22.156 141 HG23 ILE 16 3HG2 ILE 16 -4.532 2.568 -22.486 142 HD11 ILE 16 1HD1 ILE 16 -3.028 1.378 -18.717 143 HD12 ILE 16 2HD1 ILE 16 -3.059 2.573 -20.013 144 HD13 ILE 16 3HD1 ILE 16 -1.771 1.364 -19.954 145 H ASN 17 H ASN 17 -2.404 -1.385 -23.819 146 HA ASN 17 HA ASN 17 -2.863 -4.102 -23.170 147 HB2 ASN 17 2HB ASN 17 -0.251 -2.600 -23.700 148 HB3 ASN 17 1HB ASN 17 -0.402 -4.356 -23.642 149 HD21 ASN 17 1HD2 ASN 17 0.382 -2.489 -25.838 150 HD22 ASN 17 2HD2 ASN 17 -0.637 -2.899 -27.167 151 HA PRO 18 HA PRO 18 -1.880 -4.182 -18.771 152 HB2 PRO 18 2HB PRO 18 -0.727 -6.693 -18.524 153 HB3 PRO 18 1HB PRO 18 -2.469 -6.428 -18.694 154 HG2 PRO 18 2HG PRO 18 -0.448 -7.110 -20.833 155 HG3 PRO 18 1HG PRO 18 -2.040 -7.844 -20.530 156 HD2 PRO 18 2HD PRO 18 -1.720 -6.010 -22.458 157 HD3 PRO 18 1HD PRO 18 -3.194 -6.020 -21.466 158 H GLU 19 H GLU 19 0.571 -4.646 -21.209 159 HA GLU 19 HA GLU 19 2.934 -4.353 -19.712 160 HB2 GLU 19 2HB GLU 19 2.356 -3.360 -22.529 161 HB3 GLU 19 1HB GLU 19 3.959 -3.619 -21.843 162 HG2 GLU 19 2HG GLU 19 3.409 -6.071 -21.650 163 HG3 GLU 19 1HG GLU 19 1.874 -5.739 -22.454 164 H GLU 20 H GLU 20 0.990 -1.898 -21.456 165 HA GLU 20 HA GLU 20 2.426 0.384 -20.559 166 HB2 GLU 20 2HB GLU 20 -0.385 0.130 -21.705 167 HB3 GLU 20 1HB GLU 20 0.444 1.664 -21.455 168 HG2 GLU 20 2HG GLU 20 1.330 -0.552 -23.327 169 HG3 GLU 20 1HG GLU 20 0.538 0.954 -23.795 170 H ALA 21 H ALA 21 -0.321 -1.390 -19.310 171 HA ALA 21 HA ALA 21 -1.327 0.447 -17.425 172 HB1 ALA 21 1HB ALA 21 -2.448 -1.477 -16.392 173 HB2 ALA 21 2HB ALA 21 -1.432 -2.583 -17.319 174 HB3 ALA 21 3HB ALA 21 -2.582 -1.539 -18.152 175 H ARG 22 H ARG 22 1.394 -1.759 -17.286 176 HA ARG 22 HA ARG 22 1.885 -1.211 -14.429 177 HB2 ARG 22 2HB ARG 22 1.999 -3.563 -15.319 178 HB3 ARG 22 1HB ARG 22 3.373 -3.095 -16.320 179 HG2 ARG 22 2HG ARG 22 4.683 -2.574 -14.301 180 HG3 ARG 22 1HG ARG 22 3.299 -2.971 -13.280 181 HD2 ARG 22 2HD ARG 22 3.377 -5.305 -14.087 182 HD3 ARG 22 1HD ARG 22 4.763 -4.902 -15.107 183 HE ARG 22 HE ARG 22 5.946 -4.306 -12.982 184 HH11 ARG 22 1HH1 ARG 22 3.393 -6.709 -12.924 185 HH12 ARG 22 2HH1 ARG 22 3.999 -7.488 -11.500 186 HH21 ARG 22 1HH2 ARG 22 6.736 -5.350 -11.132 187 HH22 ARG 22 2HH2 ARG 22 5.890 -6.723 -10.490 188 H GLU 23 H GLU 23 3.189 -0.614 -17.617 189 HA GLU 23 HA GLU 23 5.816 0.181 -17.046 190 HB2 GLU 23 2HB GLU 23 4.985 -0.443 -19.319 191 HB3 GLU 23 1HB GLU 23 4.015 1.017 -19.363 192 HG2 GLU 23 2HG GLU 23 5.949 1.382 -20.725 193 HG3 GLU 23 1HG GLU 23 6.121 2.373 -19.279 194 H ALA 24 H ALA 24 2.882 2.089 -17.613 195 HA ALA 24 HA ALA 24 4.039 4.655 -17.412 196 HB1 ALA 24 1HB ALA 24 1.732 5.475 -17.405 197 HB2 ALA 24 2HB ALA 24 1.142 3.838 -17.106 198 HB3 ALA 24 3HB ALA 24 1.958 4.215 -18.623 199 H VAL 25 H VAL 25 2.426 2.588 -15.041 200 HA VAL 25 HA VAL 25 2.178 4.511 -12.957 201 HB VAL 25 HB VAL 25 2.280 1.460 -12.788 202 HG11 VAL 25 1HG1 VAL 25 1.375 3.458 -10.675 203 HG12 VAL 25 2HG1 VAL 25 2.794 2.417 -10.588 204 HG13 VAL 25 3HG1 VAL 25 1.184 1.705 -10.568 205 HG21 VAL 25 1HG2 VAL 25 -0.197 1.610 -12.656 206 HG22 VAL 25 2HG2 VAL 25 0.419 2.265 -14.172 207 HG23 VAL 25 3HG2 VAL 25 -0.101 3.357 -12.888 208 H GLU 26 H GLU 26 4.590 1.958 -13.595 209 HA GLU 26 HA GLU 26 6.295 2.508 -11.399 210 HB2 GLU 26 2HB GLU 26 6.349 0.380 -12.683 211 HB3 GLU 26 1HB GLU 26 6.961 1.239 -14.091 212 HG2 GLU 26 2HG GLU 26 9.002 1.857 -12.790 213 HG3 GLU 26 1HG GLU 26 8.394 0.911 -11.432 214 H LYS 27 H LYS 27 6.126 3.749 -14.703 215 HA LYS 27 HA LYS 27 8.553 5.240 -14.684 216 HB2 LYS 27 2HB LYS 27 7.294 4.411 -16.753 217 HB3 LYS 27 1HB LYS 27 6.145 5.706 -16.486 218 HG2 LYS 27 2HG LYS 27 7.504 6.670 -18.090 219 HG3 LYS 27 1HG LYS 27 8.290 7.261 -16.631 220 HD2 LYS 27 2HD LYS 27 9.195 4.843 -18.253 221 HD3 LYS 27 1HD LYS 27 9.893 6.455 -18.374 222 HE2 LYS 27 2HE LYS 27 10.635 6.303 -16.020 223 HE3 LYS 27 1HE LYS 27 9.947 4.684 -15.904 224 HZ1 LYS 27 1HZ LYS 27 11.468 4.002 -17.687 225 HZ2 LYS 27 2HZ LYS 27 12.267 4.519 -16.295 226 HZ3 LYS 27 3HZ LYS 27 12.192 5.533 -17.646 227 H ALA 28 H ALA 28 5.279 5.896 -13.696 228 HA ALA 28 HA ALA 28 5.584 8.750 -13.324 229 HB1 ALA 28 1HB ALA 28 3.331 8.639 -12.331 230 HB2 ALA 28 2HB ALA 28 3.391 6.873 -12.374 231 HB3 ALA 28 3HB ALA 28 3.391 7.791 -13.878 232 H GLY 29 H GLY 29 6.532 5.995 -11.579 233 HA2 GLY 29 2HA GLY 29 7.482 5.704 -9.505 234 HA3 GLY 29 1HA GLY 29 7.372 7.441 -9.242 235 H GLY 30 H GLY 30 4.585 5.570 -10.074 236 HA2 GLY 30 2HA GLY 30 2.768 4.783 -8.905 237 HA3 GLY 30 1HA GLY 30 3.612 5.097 -7.397 238 H ASN 31 H ASN 31 2.953 7.427 -9.992 239 HA ASN 31 HA ASN 31 1.142 8.975 -8.202 240 HB2 ASN 31 2HB ASN 31 3.082 9.921 -10.374 241 HB3 ASN 31 1HB ASN 31 1.878 10.968 -9.630 242 HD21 ASN 31 1HD2 ASN 31 2.158 11.612 -7.452 243 HD22 ASN 31 2HD2 ASN 31 3.666 11.419 -6.629 244 H GLU 32 H GLU 32 -0.925 9.182 -8.867 245 HA GLU 32 HA GLU 32 -1.955 7.531 -10.914 246 HB2 GLU 32 2HB GLU 32 -3.371 9.781 -9.431 247 HB3 GLU 32 1HB GLU 32 -4.164 8.486 -10.328 248 HG2 GLU 32 2HG GLU 32 -3.407 6.831 -8.731 249 HG3 GLU 32 1HG GLU 32 -2.404 8.018 -7.898 250 H GLU 33 H GLU 33 -1.972 11.096 -10.650 251 HA GLU 33 HA GLU 33 -3.199 11.744 -13.077 252 HB2 GLU 33 2HB GLU 33 -2.915 13.405 -11.291 253 HB3 GLU 33 1HB GLU 33 -1.168 13.318 -11.437 254 HG2 GLU 33 2HG GLU 33 -1.816 15.349 -12.479 255 HG3 GLU 33 1HG GLU 33 -1.397 14.246 -13.784 256 H GLU 34 H GLU 34 0.244 11.351 -12.278 257 HA GLU 34 HA GLU 34 1.192 12.158 -14.845 258 HB2 GLU 34 2HB GLU 34 2.516 12.321 -12.723 259 HB3 GLU 34 1HB GLU 34 2.701 10.569 -12.737 260 HG2 GLU 34 2HG GLU 34 3.971 10.652 -14.803 261 HG3 GLU 34 1HG GLU 34 3.658 12.378 -15.000 262 H ALA 35 H ALA 35 0.405 9.021 -13.397 263 HA ALA 35 HA ALA 35 1.514 7.338 -15.401 264 HB1 ALA 35 1HB ALA 35 0.063 5.576 -14.462 265 HB2 ALA 35 2HB ALA 35 -0.835 6.793 -13.551 266 HB3 ALA 35 3HB ALA 35 0.863 6.497 -13.184 267 H ARG 36 H ARG 36 -1.702 8.836 -15.010 268 HA ARG 36 HA ARG 36 -2.804 7.616 -17.386 269 HB2 ARG 36 2HB ARG 36 -4.835 8.805 -16.949 270 HB3 ARG 36 1HB ARG 36 -4.235 8.167 -15.424 271 HG2 ARG 36 2HG ARG 36 -3.323 10.462 -14.903 272 HG3 ARG 36 1HG ARG 36 -4.113 11.056 -16.366 273 HD2 ARG 36 2HD ARG 36 -6.304 10.314 -15.442 274 HD3 ARG 36 1HD ARG 36 -5.479 9.805 -13.966 275 HE ARG 36 HE ARG 36 -4.795 12.434 -14.310 276 HH11 ARG 36 1HH1 ARG 36 -7.808 10.714 -13.903 277 HH12 ARG 36 2HH1 ARG 36 -8.602 12.034 -13.111 278 HH21 ARG 36 1HH2 ARG 36 -5.860 14.177 -13.288 279 HH22 ARG 36 2HH2 ARG 36 -7.505 13.992 -12.764 280 H ARG 37 H ARG 37 -0.887 10.407 -16.804 281 HA ARG 37 HA ARG 37 -1.369 11.734 -19.314 282 HB2 ARG 37 2HB ARG 37 0.961 11.778 -17.357 283 HB3 ARG 37 1HB ARG 37 0.974 12.711 -18.849 284 HG2 ARG 37 2HG ARG 37 -0.902 14.048 -18.109 285 HG3 ARG 37 1HG ARG 37 -1.124 13.037 -16.678 286 HD2 ARG 37 2HD ARG 37 0.064 15.222 -16.247 287 HD3 ARG 37 1HD ARG 37 0.950 13.785 -15.721 288 HE ARG 37 HE ARG 37 1.563 14.922 -18.365 289 HH11 ARG 37 1HH1 ARG 37 2.598 14.493 -15.044 290 HH12 ARG 37 2HH1 ARG 37 4.244 14.907 -15.383 291 HH21 ARG 37 1HH2 ARG 37 3.732 15.424 -18.793 292 HH22 ARG 37 2HH2 ARG 37 4.892 15.411 -17.501 293 H ILE 38 H ILE 38 0.956 9.315 -18.125 294 HA ILE 38 HA ILE 38 2.608 9.263 -20.444 295 HB ILE 38 HB ILE 38 2.345 7.271 -18.145 296 HG12 ILE 38 2HG1 ILE 38 4.457 9.433 -18.618 297 HG13 ILE 38 1HG1 ILE 38 3.085 9.612 -17.536 298 HG21 ILE 38 1HG2 ILE 38 4.583 6.393 -18.797 299 HG22 ILE 38 2HG2 ILE 38 4.561 7.413 -20.238 300 HG23 ILE 38 3HG2 ILE 38 3.382 6.113 -20.055 301 HD11 ILE 38 1HD1 ILE 38 5.338 7.630 -17.228 302 HD12 ILE 38 2HD1 ILE 38 3.960 7.801 -16.135 303 HD13 ILE 38 3HD1 ILE 38 5.112 9.123 -16.319 304 H VAL 39 H VAL 39 -0.290 7.429 -19.520 305 HA VAL 39 HA VAL 39 -0.048 5.476 -21.651 306 HB VAL 39 HB VAL 39 -2.258 4.655 -20.997 307 HG11 VAL 39 1HG1 VAL 39 -1.752 3.977 -18.695 308 HG12 VAL 39 2HG1 VAL 39 -0.532 5.247 -18.578 309 HG13 VAL 39 3HG1 VAL 39 -0.313 3.914 -19.714 310 HG21 VAL 39 1HG2 VAL 39 -2.411 7.040 -19.108 311 HG22 VAL 39 2HG2 VAL 39 -3.558 5.699 -19.157 312 HG23 VAL 39 3HG2 VAL 39 -3.406 6.779 -20.542 313 H LYS 40 H LYS 40 -0.778 8.710 -21.856 314 HA LYS 40 HA LYS 40 -2.837 8.530 -23.904 315 HB2 LYS 40 2HB LYS 40 -1.102 10.942 -23.222 316 HB3 LYS 40 1HB LYS 40 -2.589 10.946 -24.171 317 HG2 LYS 40 2HG LYS 40 -3.775 10.101 -22.074 318 HG3 LYS 40 1HG LYS 40 -2.282 10.438 -21.202 319 HD2 LYS 40 2HD LYS 40 -2.455 12.839 -21.980 320 HD3 LYS 40 1HD LYS 40 -4.037 12.445 -22.661 321 HE2 LYS 40 2HE LYS 40 -3.231 12.357 -19.736 322 HE3 LYS 40 1HE LYS 40 -4.366 13.473 -20.493 323 HZ1 LYS 40 1HZ LYS 40 -5.525 11.759 -19.294 324 HZ2 LYS 40 2HZ LYS 40 -4.750 10.539 -20.163 325 HZ3 LYS 40 3HZ LYS 40 -5.832 11.581 -20.945 326 H LYS 41 H LYS 41 -1.302 6.813 -24.827 327 HA LYS 41 HA LYS 41 0.854 7.574 -26.532 328 HB2 LYS 41 2HB LYS 41 0.481 5.256 -25.667 329 HB3 LYS 41 1HB LYS 41 -1.001 5.150 -26.607 330 HG2 LYS 41 2HG LYS 41 0.374 5.403 -28.703 331 HG3 LYS 41 1HG LYS 41 1.827 5.337 -27.700 332 HD2 LYS 41 2HD LYS 41 -0.257 3.140 -28.048 333 HD3 LYS 41 1HD LYS 41 1.401 3.119 -28.647 334 HE2 LYS 41 2HE LYS 41 0.553 3.075 -25.724 335 HE3 LYS 41 1HE LYS 41 1.176 1.709 -26.648 336 HZ1 LYS 41 1HZ LYS 41 2.672 4.189 -25.987 337 HZ2 LYS 41 2HZ LYS 41 3.280 2.891 -26.886 338 HZ3 LYS 41 3HZ LYS 41 2.875 2.681 -25.257 339 H ARG 42 H ARG 42 -2.584 6.856 -26.978 340 HA ARG 42 HA ARG 42 -2.659 8.336 -29.536 341 HB2 ARG 42 2HB ARG 42 -4.674 6.359 -28.348 342 HB3 ARG 42 1HB ARG 42 -4.881 7.214 -29.871 343 HG2 ARG 42 2HG ARG 42 -2.692 5.189 -29.291 344 HG3 ARG 42 1HG ARG 42 -4.181 4.861 -30.173 345 HD2 ARG 42 2HD ARG 42 -2.565 5.160 -31.864 346 HD3 ARG 42 1HD ARG 42 -3.412 6.706 -31.820 347 HE ARG 42 HE ARG 42 -1.140 6.805 -30.137 348 HH11 ARG 42 1HH1 ARG 42 -1.913 6.787 -33.561 349 HH12 ARG 42 2HH1 ARG 42 -0.465 7.634 -34.001 350 HH21 ARG 42 1HH2 ARG 42 0.725 7.923 -30.737 351 HH22 ARG 42 2HH2 ARG 42 1.017 8.287 -32.409 352 H LEU 43 H LEU 43 -3.301 10.374 -29.297 353 HA LEU 43 HA LEU 43 -5.529 11.097 -27.537 354 HB2 LEU 43 2HB LEU 43 -3.400 11.430 -26.208 355 HB3 LEU 43 1HB LEU 43 -2.836 12.540 -27.449 356 HG LEU 43 HG LEU 43 -4.823 14.021 -26.953 357 HD11 LEU 43 1HD1 LEU 43 -6.340 12.371 -25.951 358 HD12 LEU 43 2HD1 LEU 43 -6.071 13.721 -24.851 359 HD13 LEU 43 3HD1 LEU 43 -5.254 12.182 -24.572 360 HD21 LEU 43 1HD2 LEU 43 -2.958 13.520 -24.610 361 HD22 LEU 43 2HD2 LEU 43 -3.877 14.995 -24.915 362 HD23 LEU 43 3HD2 LEU 43 -2.600 14.515 -26.027 Start of MODEL 13 1 HA ARG 1 HA ARG 1 4.350 3.000 -3.420 2 HB2 ARG 1 2HB ARG 1 5.992 2.325 -5.893 3 HB3 ARG 1 1HB ARG 1 4.463 3.191 -5.953 4 HG2 ARG 1 2HG ARG 1 6.999 4.166 -4.588 5 HG3 ARG 1 1HG ARG 1 6.362 4.726 -6.137 6 HD2 ARG 1 2HD ARG 1 4.309 5.524 -4.978 7 HD3 ARG 1 1HD ARG 1 5.015 5.056 -3.425 8 HE ARG 1 HE ARG 1 6.143 7.113 -5.232 9 HH11 ARG 1 1HH1 ARG 1 5.604 5.953 -1.982 10 HH12 ARG 1 2HH1 ARG 1 6.186 7.408 -1.245 11 HH21 ARG 1 1HH2 ARG 1 6.914 9.016 -4.256 12 HH22 ARG 1 2HH2 ARG 1 6.919 9.139 -2.524 13 H LYS 2 H LYS 2 2.523 1.833 -3.169 14 HA LYS 2 HA LYS 2 2.145 -0.692 -4.686 15 HB2 LYS 2 2HB LYS 2 0.762 0.403 -2.197 16 HB3 LYS 2 1HB LYS 2 0.055 -0.897 -3.145 17 HG2 LYS 2 2HG LYS 2 1.177 -1.878 -1.273 18 HG3 LYS 2 1HG LYS 2 2.104 -2.269 -2.720 19 HD2 LYS 2 2HD LYS 2 3.676 -0.375 -2.137 20 HD3 LYS 2 1HD LYS 2 2.783 -0.167 -0.628 21 HE2 LYS 2 2HE LYS 2 4.264 -2.676 -1.478 22 HE3 LYS 2 1HE LYS 2 4.834 -1.495 -0.299 23 HZ1 LYS 2 1HZ LYS 2 2.360 -3.105 -0.036 24 HZ2 LYS 2 2HZ LYS 2 2.986 -2.036 1.112 25 HZ3 LYS 2 3HZ LYS 2 3.829 -3.445 0.719 26 H TRP 3 H TRP 3 1.274 -0.273 -6.632 27 HA TRP 3 HA TRP 3 -0.469 2.102 -6.959 28 HB2 TRP 3 2HB TRP 3 0.379 2.136 -9.320 29 HB3 TRP 3 1HB TRP 3 1.630 2.392 -8.116 30 HD1 TRP 3 HD1 TRP 3 0.343 -0.501 -10.421 31 HE1 TRP 3 HE1 TRP 3 2.362 -1.965 -11.026 32 HE3 TRP 3 HE3 TRP 3 3.897 1.738 -7.509 33 HZ2 TRP 3 HZ2 TRP 3 5.087 -2.158 -10.370 34 HZ3 TRP 3 HZ3 TRP 3 6.187 0.845 -7.543 35 HH2 TRP 3 HH2 TRP 3 6.774 -1.071 -8.946 36 H GLU 4 H GLU 4 -1.323 -0.647 -6.243 37 HA GLU 4 HA GLU 4 -2.555 -1.917 -8.474 38 HB2 GLU 4 2HB GLU 4 -3.150 -2.120 -5.491 39 HB3 GLU 4 1HB GLU 4 -3.902 -3.144 -6.703 40 HG2 GLU 4 2HG GLU 4 -2.188 -4.470 -5.807 41 HG3 GLU 4 1HG GLU 4 -1.536 -3.900 -7.339 42 H GLU 5 H GLU 5 -3.651 0.466 -6.120 43 HA GLU 5 HA GLU 5 -6.375 0.615 -6.990 44 HB2 GLU 5 2HB GLU 5 -6.512 2.592 -5.508 45 HB3 GLU 5 1HB GLU 5 -5.732 1.230 -4.708 46 HG2 GLU 5 2HG GLU 5 -3.506 2.273 -5.234 47 HG3 GLU 5 1HG GLU 5 -4.362 3.681 -5.860 48 H ILE 6 H ILE 6 -3.402 2.195 -8.006 49 HA ILE 6 HA ILE 6 -4.569 4.261 -9.632 50 HB ILE 6 HB ILE 6 -1.796 2.952 -9.734 51 HG12 ILE 6 2HG1 ILE 6 -0.990 5.226 -8.963 52 HG13 ILE 6 1HG1 ILE 6 -2.661 5.732 -8.808 53 HG21 ILE 6 1HG2 ILE 6 -2.325 3.660 -12.013 54 HG22 ILE 6 2HG2 ILE 6 -1.101 4.733 -11.337 55 HG23 ILE 6 3HG2 ILE 6 -2.779 5.270 -11.449 56 HD11 ILE 6 1HD1 ILE 6 -1.307 3.589 -7.205 57 HD12 ILE 6 2HD1 ILE 6 -2.984 4.093 -7.030 58 HD13 ILE 6 3HD1 ILE 6 -1.677 5.219 -6.670 59 H ALA 7 H ALA 7 -3.368 0.982 -10.169 60 HA ALA 7 HA ALA 7 -3.472 0.805 -12.951 61 HB1 ALA 7 1HB ALA 7 -3.698 -1.449 -10.925 62 HB2 ALA 7 2HB ALA 7 -2.194 -0.741 -11.514 63 HB3 ALA 7 3HB ALA 7 -3.246 -1.622 -12.622 64 H GLU 8 H GLU 8 -6.033 0.518 -10.616 65 HA GLU 8 HA GLU 8 -7.997 -0.938 -11.950 66 HB2 GLU 8 2HB GLU 8 -8.379 1.471 -10.113 67 HB3 GLU 8 1HB GLU 8 -9.624 0.292 -10.514 68 HG2 GLU 8 2HG GLU 8 -7.067 -0.272 -8.980 69 HG3 GLU 8 1HG GLU 8 -8.674 -0.103 -8.282 70 H ARG 9 H ARG 9 -7.759 2.647 -11.882 71 HA ARG 9 HA ARG 9 -9.586 2.932 -14.128 72 HB2 ARG 9 2HB ARG 9 -9.669 4.531 -12.245 73 HB3 ARG 9 1HB ARG 9 -8.012 5.029 -12.567 74 HG2 ARG 9 2HG ARG 9 -8.645 6.060 -14.658 75 HG3 ARG 9 1HG ARG 9 -10.270 5.378 -14.570 76 HD2 ARG 9 2HD ARG 9 -9.138 7.402 -12.604 77 HD3 ARG 9 1HD ARG 9 -10.181 7.803 -13.973 78 HE ARG 9 HE ARG 9 -11.588 5.906 -12.585 79 HH11 ARG 9 1HH1 ARG 9 -10.196 8.999 -11.650 80 HH12 ARG 9 2HH1 ARG 9 -11.474 9.359 -10.530 81 HH21 ARG 9 1HH2 ARG 9 -13.240 6.409 -11.122 82 HH22 ARG 9 2HH2 ARG 9 -13.188 7.903 -10.238 83 H LEU 10 H LEU 10 -6.155 2.752 -13.655 84 HA LEU 10 HA LEU 10 -5.234 4.232 -15.890 85 HB2 LEU 10 2HB LEU 10 -3.997 3.166 -13.749 86 HB3 LEU 10 1HB LEU 10 -3.683 1.851 -14.854 87 HG LEU 10 HG LEU 10 -1.772 3.424 -14.666 88 HD11 LEU 10 1HD1 LEU 10 -2.993 3.483 -17.436 89 HD12 LEU 10 2HD1 LEU 10 -2.023 2.181 -16.753 90 HD13 LEU 10 3HD1 LEU 10 -1.294 3.757 -17.029 91 HD21 LEU 10 1HD2 LEU 10 -1.915 5.706 -15.539 92 HD22 LEU 10 2HD2 LEU 10 -3.035 5.471 -14.200 93 HD23 LEU 10 3HD2 LEU 10 -3.639 5.496 -15.859 94 H ARG 11 H ARG 11 -5.958 0.760 -15.448 95 HA ARG 11 HA ARG 11 -5.456 0.006 -18.191 96 HB2 ARG 11 2HB ARG 11 -6.062 -2.211 -17.541 97 HB3 ARG 11 1HB ARG 11 -5.305 -1.535 -16.106 98 HG2 ARG 11 2HG ARG 11 -7.632 -1.033 -15.232 99 HG3 ARG 11 1HG ARG 11 -8.267 -1.934 -16.606 100 HD2 ARG 11 2HD ARG 11 -8.272 -3.591 -15.006 101 HD3 ARG 11 1HD ARG 11 -6.662 -3.845 -15.676 102 HE ARG 11 HE ARG 11 -7.056 -2.164 -13.278 103 HH11 ARG 11 1HH1 ARG 11 -5.476 -4.939 -14.756 104 HH12 ARG 11 2HH1 ARG 11 -4.646 -5.378 -13.299 105 HH21 ARG 11 1HH2 ARG 11 -5.946 -2.757 -11.387 106 HH22 ARG 11 2HH2 ARG 11 -4.881 -4.127 -11.413 107 H GLU 12 H GLU 12 -8.125 1.326 -16.426 108 HA GLU 12 HA GLU 12 -10.257 0.182 -18.002 109 HB2 GLU 12 2HB GLU 12 -10.415 0.697 -15.512 110 HB3 GLU 12 1HB GLU 12 -10.394 2.406 -15.914 111 HG2 GLU 12 2HG GLU 12 -12.664 1.806 -15.527 112 HG3 GLU 12 1HG GLU 12 -12.483 2.052 -17.264 113 H GLU 13 H GLU 13 -9.604 3.613 -17.228 114 HA GLU 13 HA GLU 13 -11.289 4.692 -19.186 115 HB2 GLU 13 2HB GLU 13 -10.672 5.904 -17.134 116 HB3 GLU 13 1HB GLU 13 -8.992 5.969 -17.643 117 HG2 GLU 13 2HG GLU 13 -10.140 8.133 -17.928 118 HG3 GLU 13 1HG GLU 13 -9.533 7.497 -19.454 119 H PHE 14 H PHE 14 -7.791 4.215 -19.155 120 HA PHE 14 HA PHE 14 -7.293 5.580 -21.644 121 HB2 PHE 14 2HB PHE 14 -5.488 3.791 -19.953 122 HB3 PHE 14 1HB PHE 14 -4.952 4.770 -21.318 123 HD1 PHE 14 HD1 PHE 14 -6.025 4.855 -17.784 124 HD2 PHE 14 HD2 PHE 14 -4.863 7.243 -21.136 125 HE1 PHE 14 HE1 PHE 14 -5.711 6.798 -16.299 126 HE2 PHE 14 HE2 PHE 14 -4.532 9.168 -19.644 127 HZ PHE 14 HZ PHE 14 -4.962 8.955 -17.230 128 H ASN 15 H ASN 15 -8.318 2.402 -20.800 129 HA ASN 15 HA ASN 15 -8.943 0.581 -21.997 130 HB2 ASN 15 2HB ASN 15 -8.723 2.536 -24.327 131 HB3 ASN 15 1HB ASN 15 -9.238 0.870 -24.561 132 HD21 ASN 15 1HD2 ASN 15 -10.147 2.875 -21.765 133 HD22 ASN 15 2HD2 ASN 15 -11.824 2.938 -22.150 134 H ILE 16 H ILE 16 -5.989 1.339 -21.645 135 HA ILE 16 HA ILE 16 -4.707 -0.214 -23.768 136 HB ILE 16 HB ILE 16 -2.544 0.448 -22.525 137 HG12 ILE 16 2HG1 ILE 16 -2.780 2.638 -21.161 138 HG13 ILE 16 1HG1 ILE 16 -4.486 2.256 -21.002 139 HG21 ILE 16 1HG2 ILE 16 -3.255 1.490 -24.618 140 HG22 ILE 16 2HG2 ILE 16 -2.501 2.688 -23.567 141 HG23 ILE 16 3HG2 ILE 16 -4.258 2.647 -23.736 142 HD11 ILE 16 1HD1 ILE 16 -2.200 0.590 -19.962 143 HD12 ILE 16 2HD1 ILE 16 -3.920 0.250 -19.748 144 HD13 ILE 16 3HD1 ILE 16 -3.206 1.689 -19.020 145 H ASN 17 H ASN 17 -3.132 -1.878 -23.201 146 HA ASN 17 HA ASN 17 -4.213 -3.934 -21.580 147 HB2 ASN 17 2HB ASN 17 -1.433 -3.617 -22.797 148 HB3 ASN 17 1HB ASN 17 -2.044 -5.114 -22.094 149 HD21 ASN 17 1HD2 ASN 17 -1.168 -4.460 -24.842 150 HD22 ASN 17 2HD2 ASN 17 -2.483 -4.907 -25.868 151 HA PRO 18 HA PRO 18 -2.421 -3.049 -17.515 152 HB2 PRO 18 2HB PRO 18 -1.960 -5.618 -16.580 153 HB3 PRO 18 1HB PRO 18 -3.561 -4.866 -16.619 154 HG2 PRO 18 2HG PRO 18 -2.308 -6.752 -18.618 155 HG3 PRO 18 1HG PRO 18 -3.939 -6.799 -17.907 156 HD2 PRO 18 2HD PRO 18 -3.541 -5.810 -20.366 157 HD3 PRO 18 1HD PRO 18 -4.716 -5.052 -19.268 158 H GLU 19 H GLU 19 -0.756 -4.900 -19.932 159 HA GLU 19 HA GLU 19 1.879 -4.898 -18.845 160 HB2 GLU 19 2HB GLU 19 0.999 -4.958 -21.768 161 HB3 GLU 19 1HB GLU 19 2.581 -5.438 -21.157 162 HG2 GLU 19 2HG GLU 19 1.486 -7.298 -19.887 163 HG3 GLU 19 1HG GLU 19 -0.062 -6.824 -20.582 164 H GLU 20 H GLU 20 0.095 -2.713 -21.008 165 HA GLU 20 HA GLU 20 2.184 -0.804 -21.408 166 HB2 GLU 20 2HB GLU 20 -0.823 -0.297 -21.616 167 HB3 GLU 20 1HB GLU 20 0.464 0.633 -22.376 168 HG2 GLU 20 2HG GLU 20 -0.395 -2.188 -23.060 169 HG3 GLU 20 1HG GLU 20 -0.627 -0.737 -24.034 170 H ALA 21 H ALA 21 -0.527 -1.103 -19.191 171 HA ALA 21 HA ALA 21 -0.379 1.290 -17.747 172 HB1 ALA 21 1HB ALA 21 -1.687 0.123 -16.012 173 HB2 ALA 21 2HB ALA 21 -1.313 -1.434 -16.755 174 HB3 ALA 21 3HB ALA 21 -2.308 -0.263 -17.619 175 H ARG 22 H ARG 22 1.242 -1.801 -17.351 176 HA ARG 22 HA ARG 22 2.424 -1.585 -14.856 177 HB2 ARG 22 2HB ARG 22 2.407 -3.670 -16.138 178 HB3 ARG 22 1HB ARG 22 3.431 -2.966 -17.380 179 HG2 ARG 22 2HG ARG 22 4.735 -4.483 -16.002 180 HG3 ARG 22 1HG ARG 22 5.302 -2.830 -15.755 181 HD2 ARG 22 2HD ARG 22 3.934 -2.725 -13.657 182 HD3 ARG 22 1HD ARG 22 3.502 -4.425 -13.900 183 HE ARG 22 HE ARG 22 6.281 -4.229 -13.976 184 HH11 ARG 22 1HH1 ARG 22 3.709 -3.957 -11.611 185 HH12 ARG 22 2HH1 ARG 22 4.764 -4.250 -10.266 186 HH21 ARG 22 1HH2 ARG 22 7.642 -4.623 -12.226 187 HH22 ARG 22 2HH2 ARG 22 6.997 -4.628 -10.617 188 H GLU 23 H GLU 23 3.909 -0.740 -18.009 189 HA GLU 23 HA GLU 23 6.297 0.308 -16.734 190 HB2 GLU 23 2HB GLU 23 5.533 0.229 -19.680 191 HB3 GLU 23 1HB GLU 23 7.108 0.713 -19.047 192 HG2 GLU 23 2HG GLU 23 7.264 -1.603 -17.980 193 HG3 GLU 23 1HG GLU 23 5.833 -2.038 -18.913 194 H ALA 24 H ALA 24 3.313 1.640 -17.843 195 HA ALA 24 HA ALA 24 4.106 4.370 -18.158 196 HB1 ALA 24 1HB ALA 24 1.688 4.878 -18.018 197 HB2 ALA 24 2HB ALA 24 1.363 3.224 -17.488 198 HB3 ALA 24 3HB ALA 24 1.993 3.527 -19.107 199 H VAL 25 H VAL 25 2.463 2.654 -15.471 200 HA VAL 25 HA VAL 25 2.651 4.849 -13.645 201 HB VAL 25 HB VAL 25 0.870 3.062 -13.551 202 HG11 VAL 25 1HG1 VAL 25 3.034 1.322 -12.299 203 HG12 VAL 25 2HG1 VAL 25 2.311 1.075 -13.892 204 HG13 VAL 25 3HG1 VAL 25 1.322 0.920 -12.440 205 HG21 VAL 25 1HG2 VAL 25 1.199 4.602 -11.657 206 HG22 VAL 25 2HG2 VAL 25 2.412 3.526 -10.962 207 HG23 VAL 25 3HG2 VAL 25 0.731 3.004 -11.073 208 H GLU 26 H GLU 26 4.772 2.237 -14.495 209 HA GLU 26 HA GLU 26 6.539 2.228 -12.292 210 HB2 GLU 26 2HB GLU 26 6.602 0.434 -13.906 211 HB3 GLU 26 1HB GLU 26 6.928 1.533 -15.230 212 HG2 GLU 26 2HG GLU 26 8.952 1.295 -13.012 213 HG3 GLU 26 1HG GLU 26 8.840 0.001 -14.203 214 H LYS 27 H LYS 27 6.497 4.220 -15.272 215 HA LYS 27 HA LYS 27 8.817 5.779 -14.686 216 HB2 LYS 27 2HB LYS 27 6.383 6.624 -16.294 217 HB3 LYS 27 1HB LYS 27 7.955 7.410 -16.327 218 HG2 LYS 27 2HG LYS 27 7.307 4.630 -17.326 219 HG3 LYS 27 1HG LYS 27 7.606 6.060 -18.315 220 HD2 LYS 27 2HD LYS 27 9.945 6.142 -17.422 221 HD3 LYS 27 1HD LYS 27 9.626 4.660 -16.512 222 HE2 LYS 27 2HE LYS 27 9.608 4.967 -19.534 223 HE3 LYS 27 1HE LYS 27 10.802 4.100 -18.564 224 HZ1 LYS 27 1HZ LYS 27 9.080 2.558 -17.897 225 HZ2 LYS 27 2HZ LYS 27 9.229 2.598 -19.573 226 HZ3 LYS 27 3HZ LYS 27 7.934 3.380 -18.823 227 H ALA 28 H ALA 28 5.374 6.166 -13.983 228 HA ALA 28 HA ALA 28 5.504 8.673 -12.628 229 HB1 ALA 28 1HB ALA 28 3.412 6.472 -12.428 230 HB2 ALA 28 2HB ALA 28 3.408 7.800 -13.591 231 HB3 ALA 28 3HB ALA 28 3.216 8.134 -11.868 232 H GLY 29 H GLY 29 6.388 5.481 -11.694 233 HA2 GLY 29 2HA GLY 29 7.427 4.694 -9.784 234 HA3 GLY 29 1HA GLY 29 7.111 6.225 -8.975 235 H GLY 30 H GLY 30 4.793 6.654 -8.510 236 HA2 GLY 30 2HA GLY 30 2.852 4.505 -8.433 237 HA3 GLY 30 1HA GLY 30 3.450 4.984 -6.838 238 H ASN 31 H ASN 31 3.177 7.210 -9.518 239 HA ASN 31 HA ASN 31 1.400 8.960 -7.969 240 HB2 ASN 31 2HB ASN 31 3.531 9.835 -8.987 241 HB3 ASN 31 1HB ASN 31 2.917 9.440 -10.585 242 HD21 ASN 31 1HD2 ASN 31 3.791 12.003 -9.708 243 HD22 ASN 31 2HD2 ASN 31 2.448 13.086 -9.808 244 H GLU 32 H GLU 32 -0.751 8.933 -8.394 245 HA GLU 32 HA GLU 32 -1.815 7.352 -10.551 246 HB2 GLU 32 2HB GLU 32 -2.943 7.567 -8.288 247 HB3 GLU 32 1HB GLU 32 -3.354 9.234 -8.691 248 HG2 GLU 32 2HG GLU 32 -4.617 8.356 -10.699 249 HG3 GLU 32 1HG GLU 32 -4.314 6.721 -10.115 250 H GLU 33 H GLU 33 -1.492 10.784 -9.816 251 HA GLU 33 HA GLU 33 -3.221 11.760 -11.826 252 HB2 GLU 33 2HB GLU 33 -2.535 13.109 -9.823 253 HB3 GLU 33 1HB GLU 33 -0.911 13.242 -10.482 254 HG2 GLU 33 2HG GLU 33 -1.865 14.417 -12.479 255 HG3 GLU 33 1HG GLU 33 -3.448 14.380 -11.706 256 H GLU 34 H GLU 34 0.368 12.033 -11.719 257 HA GLU 34 HA GLU 34 0.662 13.263 -14.177 258 HB2 GLU 34 2HB GLU 34 2.414 13.108 -12.342 259 HB3 GLU 34 1HB GLU 34 2.793 11.488 -12.913 260 HG2 GLU 34 2HG GLU 34 4.405 13.131 -13.767 261 HG3 GLU 34 1HG GLU 34 3.506 12.382 -15.088 262 H ALA 35 H ALA 35 0.291 9.912 -13.526 263 HA ALA 35 HA ALA 35 1.279 8.638 -15.782 264 HB1 ALA 35 1HB ALA 35 0.484 7.470 -13.767 265 HB2 ALA 35 2HB ALA 35 -0.271 6.819 -15.220 266 HB3 ALA 35 3HB ALA 35 -1.187 7.898 -14.168 267 H ARG 36 H ARG 36 -1.480 10.796 -15.643 268 HA ARG 36 HA ARG 36 -3.089 9.890 -17.725 269 HB2 ARG 36 2HB ARG 36 -4.017 12.094 -17.986 270 HB3 ARG 36 1HB ARG 36 -3.721 11.847 -16.273 271 HG2 ARG 36 2HG ARG 36 -1.755 13.394 -17.999 272 HG3 ARG 36 1HG ARG 36 -3.184 14.174 -17.318 273 HD2 ARG 36 2HD ARG 36 -2.444 13.769 -15.087 274 HD3 ARG 36 1HD ARG 36 -1.205 12.650 -15.631 275 HE ARG 36 HE ARG 36 0.056 14.526 -16.482 276 HH11 ARG 36 1HH1 ARG 36 -2.598 15.486 -14.430 277 HH12 ARG 36 2HH1 ARG 36 -1.746 16.838 -13.762 278 HH21 ARG 36 1HH2 ARG 36 1.196 16.253 -15.540 279 HH22 ARG 36 2HH2 ARG 36 0.390 17.277 -14.383 280 H ARG 37 H ARG 37 -0.142 11.779 -17.830 281 HA ARG 37 HA ARG 37 -0.128 12.114 -20.734 282 HB2 ARG 37 2HB ARG 37 1.854 12.978 -18.571 283 HB3 ARG 37 1HB ARG 37 2.025 13.347 -20.288 284 HG2 ARG 37 2HG ARG 37 -0.021 14.680 -20.246 285 HG3 ARG 37 1HG ARG 37 -0.293 14.258 -18.553 286 HD2 ARG 37 2HD ARG 37 0.682 16.530 -18.840 287 HD3 ARG 37 1HD ARG 37 1.709 15.462 -17.877 288 HE ARG 37 HE ARG 37 2.203 15.946 -20.758 289 HH11 ARG 37 1HH1 ARG 37 3.424 15.796 -17.469 290 HH12 ARG 37 2HH1 ARG 37 5.047 16.182 -17.940 291 HH21 ARG 37 1HH2 ARG 37 4.326 16.407 -21.351 292 HH22 ARG 37 2HH2 ARG 37 5.560 16.534 -20.140 293 H ILE 38 H ILE 38 1.482 10.281 -18.198 294 HA ILE 38 HA ILE 38 3.726 9.431 -19.721 295 HB ILE 38 HB ILE 38 2.598 8.282 -17.129 296 HG12 ILE 38 2HG1 ILE 38 4.817 10.347 -17.590 297 HG13 ILE 38 1HG1 ILE 38 3.228 10.682 -16.918 298 HG21 ILE 38 1HG2 ILE 38 4.842 7.312 -16.776 299 HG22 ILE 38 2HG2 ILE 38 5.353 7.893 -18.362 300 HG23 ILE 38 3HG2 ILE 38 4.091 6.665 -18.231 301 HD11 ILE 38 1HD1 ILE 38 5.374 8.988 -15.628 302 HD12 ILE 38 2HD1 ILE 38 3.778 9.323 -14.950 303 HD13 ILE 38 3HD1 ILE 38 4.928 10.637 -15.190 304 H VAL 39 H VAL 39 0.506 8.013 -19.231 305 HA VAL 39 HA VAL 39 0.863 5.433 -20.255 306 HB VAL 39 HB VAL 39 -1.530 7.319 -20.543 307 HG11 VAL 39 1HG1 VAL 39 -2.905 5.334 -21.190 308 HG12 VAL 39 2HG1 VAL 39 -1.435 4.360 -21.295 309 HG13 VAL 39 3HG1 VAL 39 -1.679 5.714 -22.400 310 HG21 VAL 39 1HG2 VAL 39 -1.012 6.602 -18.241 311 HG22 VAL 39 2HG2 VAL 39 -1.087 4.912 -18.732 312 HG23 VAL 39 3HG2 VAL 39 -2.541 5.912 -18.781 313 H LYS 40 H LYS 40 0.482 8.531 -21.901 314 HA LYS 40 HA LYS 40 0.813 9.313 -23.972 315 HB2 LYS 40 2HB LYS 40 3.106 8.542 -23.526 316 HB3 LYS 40 1HB LYS 40 2.714 6.929 -24.113 317 HG2 LYS 40 2HG LYS 40 2.365 7.843 -26.386 318 HG3 LYS 40 1HG LYS 40 2.769 9.460 -25.793 319 HD2 LYS 40 2HD LYS 40 5.043 8.803 -25.311 320 HD3 LYS 40 1HD LYS 40 4.674 7.098 -25.585 321 HE2 LYS 40 2HE LYS 40 4.647 9.270 -27.702 322 HE3 LYS 40 1HE LYS 40 5.915 8.064 -27.472 323 HZ1 LYS 40 1HZ LYS 40 3.096 7.523 -28.238 324 HZ2 LYS 40 2HZ LYS 40 4.263 6.336 -27.933 325 HZ3 LYS 40 3HZ LYS 40 4.458 7.396 -29.231 326 H LYS 41 H LYS 41 -1.351 8.937 -24.525 327 HA LYS 41 HA LYS 41 -2.321 6.397 -25.479 328 HB2 LYS 41 2HB LYS 41 -3.686 9.131 -25.556 329 HB3 LYS 41 1HB LYS 41 -4.467 7.589 -25.864 330 HG2 LYS 41 2HG LYS 41 -5.128 8.059 -23.670 331 HG3 LYS 41 1HG LYS 41 -3.767 6.966 -23.431 332 HD2 LYS 41 2HD LYS 41 -3.636 8.804 -21.831 333 HD3 LYS 41 1HD LYS 41 -2.297 8.936 -22.973 334 HE2 LYS 41 2HE LYS 41 -3.516 10.684 -24.219 335 HE3 LYS 41 1HE LYS 41 -4.886 10.536 -23.117 336 HZ1 LYS 41 1HZ LYS 41 -3.485 12.424 -22.567 337 HZ2 LYS 41 2HZ LYS 41 -2.148 11.414 -22.377 338 HZ3 LYS 41 3HZ LYS 41 -3.453 11.288 -21.314 339 H ARG 42 H ARG 42 -0.990 9.271 -26.922 340 HA ARG 42 HA ARG 42 -1.793 8.461 -29.635 341 HB2 ARG 42 2HB ARG 42 -2.191 10.833 -28.940 342 HB3 ARG 42 1HB ARG 42 -0.463 11.042 -28.692 343 HG2 ARG 42 2HG ARG 42 -1.251 12.018 -30.835 344 HG3 ARG 42 1HG ARG 42 -0.031 10.764 -31.079 345 HD2 ARG 42 2HD ARG 42 -1.787 9.142 -31.673 346 HD3 ARG 42 1HD ARG 42 -3.030 10.346 -31.336 347 HE ARG 42 HE ARG 42 -2.699 11.244 -33.396 348 HH11 ARG 42 1HH1 ARG 42 0.203 9.359 -32.708 349 HH12 ARG 42 2HH1 ARG 42 0.751 9.405 -34.349 350 HH21 ARG 42 1HH2 ARG 42 -1.953 11.269 -35.541 351 HH22 ARG 42 2HH2 ARG 42 -0.462 10.480 -35.945 352 H LEU 43 H LEU 43 -0.352 7.783 -31.126 353 HA LEU 43 HA LEU 43 2.126 6.649 -30.445 354 HB2 LEU 43 2HB LEU 43 0.993 7.372 -33.180 355 HB3 LEU 43 1HB LEU 43 2.361 6.303 -32.915 356 HG LEU 43 HG LEU 43 -0.477 5.752 -31.951 357 HD11 LEU 43 1HD1 LEU 43 -0.585 4.035 -33.723 358 HD12 LEU 43 2HD1 LEU 43 0.993 4.550 -34.326 359 HD13 LEU 43 3HD1 LEU 43 -0.385 5.649 -34.400 360 HD21 LEU 43 1HD2 LEU 43 0.332 3.481 -31.444 361 HD22 LEU 43 2HD2 LEU 43 1.217 4.685 -30.514 362 HD23 LEU 43 3HD2 LEU 43 1.970 3.944 -31.927 Start of MODEL 14 1 HA ARG 1 HA ARG 1 5.987 -0.246 -5.361 2 HB2 ARG 1 2HB ARG 1 4.128 -0.589 -2.974 3 HB3 ARG 1 1HB ARG 1 5.317 -1.788 -3.473 4 HG2 ARG 1 2HG ARG 1 7.134 -0.182 -3.021 5 HG3 ARG 1 1HG ARG 1 5.950 1.034 -2.530 6 HD2 ARG 1 2HD ARG 1 7.000 -0.115 -0.593 7 HD3 ARG 1 1HD ARG 1 5.251 -0.352 -0.645 8 HE ARG 1 HE ARG 1 6.275 -2.528 -1.957 9 HH11 ARG 1 1HH1 ARG 1 6.809 -1.183 1.255 10 HH12 ARG 1 2HH1 ARG 1 7.038 -2.741 1.982 11 HH21 ARG 1 1HH2 ARG 1 6.585 -4.536 -0.971 12 HH22 ARG 1 2HH2 ARG 1 6.909 -4.623 0.732 13 H LYS 2 H LYS 2 2.698 -1.136 -4.227 14 HA LYS 2 HA LYS 2 2.200 -2.738 -6.591 15 HB2 LYS 2 2HB LYS 2 1.392 -3.304 -4.216 16 HB3 LYS 2 1HB LYS 2 0.212 -2.011 -4.390 17 HG2 LYS 2 2HG LYS 2 -0.813 -3.170 -6.296 18 HG3 LYS 2 1HG LYS 2 0.401 -4.452 -6.197 19 HD2 LYS 2 2HD LYS 2 -1.714 -3.784 -4.104 20 HD3 LYS 2 1HD LYS 2 -1.704 -5.195 -5.161 21 HE2 LYS 2 2HE LYS 2 0.324 -4.595 -2.968 22 HE3 LYS 2 1HE LYS 2 -0.983 -5.775 -2.872 23 HZ1 LYS 2 1HZ LYS 2 1.267 -5.872 -4.807 24 HZ2 LYS 2 2HZ LYS 2 0.053 -7.035 -4.631 25 HZ3 LYS 2 3HZ LYS 2 1.164 -6.779 -3.385 26 H TRP 3 H TRP 3 0.831 -2.134 -8.286 27 HA TRP 3 HA TRP 3 0.048 0.730 -8.387 28 HB2 TRP 3 2HB TRP 3 0.223 0.448 -10.883 29 HB3 TRP 3 1HB TRP 3 1.735 0.261 -10.017 30 HD1 TRP 3 HD1 TRP 3 -0.698 -1.673 -12.240 31 HE1 TRP 3 HE1 TRP 3 0.394 -3.882 -12.943 32 HE3 TRP 3 HE3 TRP 3 3.413 -1.580 -9.192 33 HZ2 TRP 3 HZ2 TRP 3 2.671 -5.394 -12.316 34 HZ3 TRP 3 HZ3 TRP 3 5.001 -3.460 -9.304 35 HH2 TRP 3 HH2 TRP 3 4.636 -5.332 -10.835 36 H GLU 4 H GLU 4 -1.604 -1.224 -7.131 37 HA GLU 4 HA GLU 4 -3.704 -2.185 -8.783 38 HB2 GLU 4 2HB GLU 4 -4.884 -2.623 -6.648 39 HB3 GLU 4 1HB GLU 4 -3.207 -3.158 -6.580 40 HG2 GLU 4 2HG GLU 4 -2.604 -1.121 -5.320 41 HG3 GLU 4 1HG GLU 4 -4.280 -0.581 -5.374 42 H GLU 5 H GLU 5 -3.323 0.771 -6.866 43 HA GLU 5 HA GLU 5 -5.971 1.812 -7.189 44 HB2 GLU 5 2HB GLU 5 -4.412 2.383 -5.275 45 HB3 GLU 5 1HB GLU 5 -3.384 3.244 -6.406 46 HG2 GLU 5 2HG GLU 5 -4.638 4.910 -5.291 47 HG3 GLU 5 1HG GLU 5 -5.359 4.769 -6.893 48 H ILE 6 H ILE 6 -2.874 2.265 -8.762 49 HA ILE 6 HA ILE 6 -3.600 4.570 -10.301 50 HB ILE 6 HB ILE 6 -1.190 2.704 -10.628 51 HG12 ILE 6 2HG1 ILE 6 0.027 4.800 -9.554 52 HG13 ILE 6 1HG1 ILE 6 -1.575 5.255 -8.992 53 HG21 ILE 6 1HG2 ILE 6 -1.603 3.920 -12.702 54 HG22 ILE 6 2HG2 ILE 6 -0.156 4.561 -11.927 55 HG23 ILE 6 3HG2 ILE 6 -1.676 5.454 -11.834 56 HD11 ILE 6 1HD1 ILE 6 -0.118 2.707 -8.295 57 HD12 ILE 6 2HD1 ILE 6 -1.705 3.190 -7.692 58 HD13 ILE 6 3HD1 ILE 6 -0.274 4.134 -7.273 59 H ALA 7 H ALA 7 -2.834 1.191 -11.179 60 HA ALA 7 HA ALA 7 -3.213 1.491 -13.970 61 HB1 ALA 7 1HB ALA 7 -2.897 -0.940 -14.102 62 HB2 ALA 7 2HB ALA 7 -3.101 -1.071 -12.353 63 HB3 ALA 7 3HB ALA 7 -1.712 -0.210 -13.015 64 H GLU 8 H GLU 8 -5.451 0.817 -11.418 65 HA GLU 8 HA GLU 8 -7.560 -0.434 -12.793 66 HB2 GLU 8 2HB GLU 8 -7.488 -0.169 -10.324 67 HB3 GLU 8 1HB GLU 8 -7.689 1.569 -10.488 68 HG2 GLU 8 2HG GLU 8 -9.789 0.552 -9.826 69 HG3 GLU 8 1HG GLU 8 -9.944 1.219 -11.451 70 H ARG 9 H ARG 9 -6.855 3.023 -12.242 71 HA ARG 9 HA ARG 9 -9.047 4.042 -13.767 72 HB2 ARG 9 2HB ARG 9 -8.075 5.379 -11.967 73 HB3 ARG 9 1HB ARG 9 -6.505 5.403 -12.763 74 HG2 ARG 9 2HG ARG 9 -7.361 6.813 -14.543 75 HG3 ARG 9 1HG ARG 9 -9.012 6.652 -13.948 76 HD2 ARG 9 2HD ARG 9 -6.756 8.006 -12.439 77 HD3 ARG 9 1HD ARG 9 -7.971 8.848 -13.404 78 HE ARG 9 HE ARG 9 -9.265 7.209 -11.517 79 HH11 ARG 9 1HH1 ARG 9 -7.287 10.115 -11.536 80 HH12 ARG 9 2HH1 ARG 9 -8.109 10.813 -10.178 81 HH21 ARG 9 1HH2 ARG 9 -10.308 8.129 -9.755 82 HH22 ARG 9 2HH2 ARG 9 -9.813 9.687 -9.170 83 H LEU 10 H LEU 10 -5.767 3.114 -14.570 84 HA LEU 10 HA LEU 10 -5.515 4.414 -17.077 85 HB2 LEU 10 2HB LEU 10 -4.122 2.083 -15.762 86 HB3 LEU 10 1HB LEU 10 -3.843 2.357 -17.468 87 HG LEU 10 HG LEU 10 -2.048 3.367 -16.144 88 HD11 LEU 10 1HD1 LEU 10 -2.677 4.426 -18.248 89 HD12 LEU 10 2HD1 LEU 10 -2.078 5.610 -17.093 90 HD13 LEU 10 3HD1 LEU 10 -3.813 5.483 -17.405 91 HD21 LEU 10 1HD2 LEU 10 -3.233 3.836 -14.062 92 HD22 LEU 10 2HD2 LEU 10 -4.171 5.106 -14.848 93 HD23 LEU 10 3HD2 LEU 10 -2.422 5.283 -14.652 94 H ARG 11 H ARG 11 -6.304 0.966 -16.394 95 HA ARG 11 HA ARG 11 -7.070 0.315 -19.067 96 HB2 ARG 11 2HB ARG 11 -7.868 -1.813 -18.128 97 HB3 ARG 11 1HB ARG 11 -6.293 -1.393 -17.462 98 HG2 ARG 11 2HG ARG 11 -7.391 -0.601 -15.380 99 HG3 ARG 11 1HG ARG 11 -8.963 -1.036 -16.052 100 HD2 ARG 11 2HD ARG 11 -8.297 -3.393 -16.139 101 HD3 ARG 11 1HD ARG 11 -6.688 -2.972 -15.535 102 HE ARG 11 HE ARG 11 -8.708 -2.067 -13.742 103 HH11 ARG 11 1HH1 ARG 11 -7.067 -5.021 -14.736 104 HH12 ARG 11 2HH1 ARG 11 -7.310 -5.806 -13.207 105 HH21 ARG 11 1HH2 ARG 11 -9.047 -3.150 -11.754 106 HH22 ARG 11 2HH2 ARG 11 -8.445 -4.764 -11.543 107 H GLU 12 H GLU 12 -8.755 1.805 -16.436 108 HA GLU 12 HA GLU 12 -11.449 1.278 -16.989 109 HB2 GLU 12 2HB GLU 12 -10.745 2.358 -14.928 110 HB3 GLU 12 1HB GLU 12 -10.077 3.727 -15.801 111 HG2 GLU 12 2HG GLU 12 -12.389 4.367 -16.499 112 HG3 GLU 12 1HG GLU 12 -13.022 3.044 -15.514 113 H GLU 13 H GLU 13 -9.629 4.232 -17.909 114 HA GLU 13 HA GLU 13 -11.674 5.016 -19.818 115 HB2 GLU 13 2HB GLU 13 -10.097 6.522 -18.248 116 HB3 GLU 13 1HB GLU 13 -9.012 6.438 -19.619 117 HG2 GLU 13 2HG GLU 13 -11.812 7.600 -19.555 118 HG3 GLU 13 1HG GLU 13 -10.301 8.489 -19.697 119 H PHE 14 H PHE 14 -8.137 4.597 -20.046 120 HA PHE 14 HA PHE 14 -8.259 4.150 -22.921 121 HB2 PHE 14 2HB PHE 14 -6.474 5.544 -21.644 122 HB3 PHE 14 1HB PHE 14 -5.802 4.006 -21.109 123 HD1 PHE 14 HD1 PHE 14 -7.186 4.846 -24.489 124 HD2 PHE 14 HD2 PHE 14 -3.684 4.051 -22.178 125 HE1 PHE 14 HE1 PHE 14 -5.834 4.838 -26.536 126 HE2 PHE 14 HE2 PHE 14 -2.336 4.037 -24.231 127 HZ PHE 14 HZ PHE 14 -3.409 4.432 -26.413 128 H ASN 15 H ASN 15 -9.123 2.157 -23.360 129 HA ASN 15 HA ASN 15 -8.754 -0.137 -21.653 130 HB2 ASN 15 2HB ASN 15 -10.121 0.237 -24.347 131 HB3 ASN 15 1HB ASN 15 -9.992 -1.338 -23.573 132 HD21 ASN 15 1HD2 ASN 15 -10.540 1.689 -21.761 133 HD22 ASN 15 2HD2 ASN 15 -12.145 1.296 -21.270 134 H ILE 16 H ILE 16 -6.548 -0.377 -21.567 135 HA ILE 16 HA ILE 16 -5.247 -1.702 -23.874 136 HB ILE 16 HB ILE 16 -3.020 -0.780 -22.770 137 HG12 ILE 16 2HG1 ILE 16 -3.230 1.560 -21.820 138 HG13 ILE 16 1HG1 ILE 16 -4.970 1.360 -21.735 139 HG21 ILE 16 1HG2 ILE 16 -3.733 -0.204 -25.030 140 HG22 ILE 16 2HG2 ILE 16 -3.032 1.195 -24.223 141 HG23 ILE 16 3HG2 ILE 16 -4.784 1.074 -24.401 142 HD11 ILE 16 1HD1 ILE 16 -4.664 -0.405 -20.052 143 HD12 ILE 16 2HD1 ILE 16 -3.928 1.121 -19.561 144 HD13 ILE 16 3HD1 ILE 16 -2.914 -0.189 -20.164 145 H ASN 17 H ASN 17 -3.254 -2.962 -23.041 146 HA ASN 17 HA ASN 17 -4.034 -4.851 -21.017 147 HB2 ASN 17 2HB ASN 17 -1.365 -4.461 -22.458 148 HB3 ASN 17 1HB ASN 17 -1.755 -5.835 -21.428 149 HD21 ASN 17 1HD2 ASN 17 -0.961 -5.927 -24.164 150 HD22 ASN 17 2HD2 ASN 17 -2.245 -6.665 -25.051 151 HA PRO 18 HA PRO 18 -2.021 -2.901 -17.420 152 HB2 PRO 18 2HB PRO 18 -1.175 -5.119 -16.010 153 HB3 PRO 18 1HB PRO 18 -2.861 -4.575 -16.047 154 HG2 PRO 18 2HG PRO 18 -1.531 -6.721 -17.714 155 HG3 PRO 18 1HG PRO 18 -3.079 -6.783 -16.836 156 HD2 PRO 18 2HD PRO 18 -3.008 -6.334 -19.483 157 HD3 PRO 18 1HD PRO 18 -4.193 -5.504 -18.449 158 H GLU 19 H GLU 19 -0.398 -4.864 -19.727 159 HA GLU 19 HA GLU 19 2.297 -4.512 -18.991 160 HB2 GLU 19 2HB GLU 19 1.483 -6.066 -20.765 161 HB3 GLU 19 1HB GLU 19 1.093 -4.687 -21.786 162 HG2 GLU 19 2HG GLU 19 3.463 -4.084 -21.933 163 HG3 GLU 19 1HG GLU 19 3.889 -5.386 -20.819 164 H GLU 20 H GLU 20 0.003 -2.388 -20.616 165 HA GLU 20 HA GLU 20 1.927 -0.303 -21.223 166 HB2 GLU 20 2HB GLU 20 -1.126 -0.206 -21.259 167 HB3 GLU 20 1HB GLU 20 -0.035 0.970 -21.995 168 HG2 GLU 20 2HG GLU 20 -0.441 -1.921 -22.828 169 HG3 GLU 20 1HG GLU 20 -0.953 -0.475 -23.702 170 H ALA 21 H ALA 21 -0.562 -0.949 -18.829 171 HA ALA 21 HA ALA 21 -0.563 1.531 -17.474 172 HB1 ALA 21 1HB ALA 21 -1.369 -1.207 -16.444 173 HB2 ALA 21 2HB ALA 21 -2.410 -0.087 -17.324 174 HB3 ALA 21 3HB ALA 21 -1.809 0.343 -15.721 175 H ARG 22 H ARG 22 1.335 -1.444 -17.002 176 HA ARG 22 HA ARG 22 2.532 -0.730 -14.513 177 HB2 ARG 22 2HB ARG 22 3.999 -2.637 -14.780 178 HB3 ARG 22 1HB ARG 22 2.385 -3.100 -15.309 179 HG2 ARG 22 2HG ARG 22 3.108 -2.750 -17.672 180 HG3 ARG 22 1HG ARG 22 4.741 -2.420 -17.093 181 HD2 ARG 22 2HD ARG 22 3.256 -5.032 -16.623 182 HD3 ARG 22 1HD ARG 22 4.395 -4.754 -17.944 183 HE ARG 22 HE ARG 22 5.698 -4.108 -15.563 184 HH11 ARG 22 1HH1 ARG 22 4.359 -6.989 -17.080 185 HH12 ARG 22 2HH1 ARG 22 5.502 -8.055 -16.330 186 HH21 ARG 22 1HH2 ARG 22 7.211 -5.510 -14.633 187 HH22 ARG 22 2HH2 ARG 22 7.128 -7.212 -14.959 188 H GLU 23 H GLU 23 3.351 -0.102 -17.865 189 HA GLU 23 HA GLU 23 6.040 0.780 -17.447 190 HB2 GLU 23 2HB GLU 23 5.201 0.041 -19.677 191 HB3 GLU 23 1HB GLU 23 4.114 1.425 -19.728 192 HG2 GLU 23 2HG GLU 23 6.131 2.934 -19.639 193 HG3 GLU 23 1HG GLU 23 7.155 1.503 -19.762 194 H ALA 24 H ALA 24 2.918 2.413 -17.845 195 HA ALA 24 HA ALA 24 3.762 5.079 -17.705 196 HB1 ALA 24 1HB ALA 24 1.401 5.626 -17.278 197 HB2 ALA 24 2HB ALA 24 1.064 3.935 -16.897 198 HB3 ALA 24 3HB ALA 24 1.540 4.391 -18.533 199 H VAL 25 H VAL 25 2.687 2.876 -15.122 200 HA VAL 25 HA VAL 25 2.787 4.857 -13.036 201 HB VAL 25 HB VAL 25 1.221 2.918 -12.941 202 HG11 VAL 25 1HG1 VAL 25 2.710 1.181 -13.845 203 HG12 VAL 25 2HG1 VAL 25 2.015 0.685 -12.309 204 HG13 VAL 25 3HG1 VAL 25 3.689 1.236 -12.376 205 HG21 VAL 25 1HG2 VAL 25 1.778 4.137 -10.861 206 HG22 VAL 25 2HG2 VAL 25 3.136 3.049 -10.570 207 HG23 VAL 25 3HG2 VAL 25 1.485 2.430 -10.530 208 H GLU 26 H GLU 26 5.071 2.519 -14.327 209 HA GLU 26 HA GLU 26 6.935 2.539 -12.159 210 HB2 GLU 26 2HB GLU 26 6.712 0.882 -14.200 211 HB3 GLU 26 1HB GLU 26 7.722 2.035 -15.058 212 HG2 GLU 26 2HG GLU 26 8.472 0.577 -12.503 213 HG3 GLU 26 1HG GLU 26 8.977 0.112 -14.123 214 H LYS 27 H LYS 27 6.702 4.305 -15.232 215 HA LYS 27 HA LYS 27 8.866 6.113 -14.838 216 HB2 LYS 27 2HB LYS 27 6.360 6.397 -16.545 217 HB3 LYS 27 1HB LYS 27 7.794 7.417 -16.680 218 HG2 LYS 27 2HG LYS 27 9.135 5.485 -17.402 219 HG3 LYS 27 1HG LYS 27 7.754 4.413 -17.168 220 HD2 LYS 27 2HD LYS 27 8.040 4.939 -19.557 221 HD3 LYS 27 1HD LYS 27 6.511 5.584 -18.953 222 HE2 LYS 27 2HE LYS 27 7.533 7.830 -18.766 223 HE3 LYS 27 1HE LYS 27 9.062 7.181 -19.360 224 HZ1 LYS 27 1HZ LYS 27 6.513 7.237 -20.861 225 HZ2 LYS 27 2HZ LYS 27 7.978 6.637 -21.437 226 HZ3 LYS 27 3HZ LYS 27 7.812 8.281 -21.095 227 H ALA 28 H ALA 28 5.679 5.990 -13.546 228 HA ALA 28 HA ALA 28 5.539 8.788 -12.705 229 HB1 ALA 28 1HB ALA 28 3.507 7.634 -13.449 230 HB2 ALA 28 2HB ALA 28 3.359 8.140 -11.765 231 HB3 ALA 28 3HB ALA 28 3.682 6.447 -12.156 232 H GLY 29 H GLY 29 6.590 5.738 -11.460 233 HA2 GLY 29 2HA GLY 29 7.540 5.083 -9.477 234 HA3 GLY 29 1HA GLY 29 7.612 6.773 -9.010 235 H GLY 30 H GLY 30 4.661 5.019 -9.828 236 HA2 GLY 30 2HA GLY 30 3.008 4.049 -8.489 237 HA3 GLY 30 1HA GLY 30 3.890 4.524 -7.048 238 H ASN 31 H ASN 31 3.445 7.076 -9.279 239 HA ASN 31 HA ASN 31 1.319 8.266 -7.601 240 HB2 ASN 31 2HB ASN 31 3.384 9.613 -7.826 241 HB3 ASN 31 1HB ASN 31 3.243 9.583 -9.583 242 HD21 ASN 31 1HD2 ASN 31 3.250 11.881 -9.545 243 HD22 ASN 31 2HD2 ASN 31 1.831 12.774 -9.128 244 H GLU 32 H GLU 32 -0.684 8.243 -8.379 245 HA GLU 32 HA GLU 32 -1.390 7.036 -10.823 246 HB2 GLU 32 2HB GLU 32 -2.822 6.931 -8.818 247 HB3 GLU 32 1HB GLU 32 -3.082 8.667 -8.864 248 HG2 GLU 32 2HG GLU 32 -4.004 6.822 -11.104 249 HG3 GLU 32 1HG GLU 32 -4.992 7.148 -9.680 250 H GLU 33 H GLU 33 -1.719 10.422 -9.742 251 HA GLU 33 HA GLU 33 -2.883 11.562 -11.988 252 HB2 GLU 33 2HB GLU 33 -2.643 12.676 -9.775 253 HB3 GLU 33 1HB GLU 33 -0.914 12.855 -10.051 254 HG2 GLU 33 2HG GLU 33 -1.382 14.345 -11.981 255 HG3 GLU 33 1HG GLU 33 -3.112 14.180 -11.684 256 H GLU 34 H GLU 34 0.452 10.794 -11.381 257 HA GLU 34 HA GLU 34 1.627 12.272 -13.526 258 HB2 GLU 34 2HB GLU 34 2.733 11.469 -11.330 259 HB3 GLU 34 1HB GLU 34 2.831 9.884 -12.080 260 HG2 GLU 34 2HG GLU 34 4.942 10.981 -12.320 261 HG3 GLU 34 1HG GLU 34 4.193 10.869 -13.911 262 H ALA 35 H ALA 35 0.890 8.794 -13.003 263 HA ALA 35 HA ALA 35 1.705 7.819 -15.540 264 HB1 ALA 35 1HB ALA 35 0.438 5.791 -14.974 265 HB2 ALA 35 2HB ALA 35 -0.359 6.641 -13.647 266 HB3 ALA 35 3HB ALA 35 1.379 6.350 -13.586 267 H ARG 36 H ARG 36 -1.195 9.382 -14.485 268 HA ARG 36 HA ARG 36 -3.106 8.632 -16.390 269 HB2 ARG 36 2HB ARG 36 -3.440 9.858 -14.197 270 HB3 ARG 36 1HB ARG 36 -2.814 11.309 -14.966 271 HG2 ARG 36 2HG ARG 36 -4.750 11.323 -16.511 272 HG3 ARG 36 1HG ARG 36 -5.364 9.850 -15.750 273 HD2 ARG 36 2HD ARG 36 -5.488 11.087 -13.565 274 HD3 ARG 36 1HD ARG 36 -4.993 12.556 -14.416 275 HE ARG 36 HE ARG 36 -7.349 11.301 -15.528 276 HH11 ARG 36 1HH1 ARG 36 -6.221 13.644 -13.147 277 HH12 ARG 36 2HH1 ARG 36 -7.788 14.375 -12.964 278 HH21 ARG 36 1HH2 ARG 36 -9.373 12.291 -15.270 279 HH22 ARG 36 2HH2 ARG 36 -9.560 13.602 -14.144 280 H ARG 37 H ARG 37 -0.493 11.015 -16.564 281 HA ARG 37 HA ARG 37 -1.318 11.907 -19.262 282 HB2 ARG 37 2HB ARG 37 0.391 13.717 -18.996 283 HB3 ARG 37 1HB ARG 37 -0.867 13.769 -17.769 284 HG2 ARG 37 2HG ARG 37 0.624 12.803 -16.115 285 HG3 ARG 37 1HG ARG 37 1.879 12.563 -17.332 286 HD2 ARG 37 2HD ARG 37 0.808 15.275 -16.473 287 HD3 ARG 37 1HD ARG 37 2.280 14.528 -15.842 288 HE ARG 37 HE ARG 37 2.398 14.661 -18.670 289 HH11 ARG 37 1HH1 ARG 37 2.590 16.789 -15.884 290 HH12 ARG 37 2HH1 ARG 37 3.658 17.908 -16.666 291 HH21 ARG 37 1HH2 ARG 37 3.805 16.145 -19.669 292 HH22 ARG 37 2HH2 ARG 37 4.349 17.538 -18.789 293 H ILE 38 H ILE 38 1.088 9.976 -17.652 294 HA ILE 38 HA ILE 38 3.119 10.077 -19.671 295 HB ILE 38 HB ILE 38 2.614 8.074 -17.425 296 HG12 ILE 38 2HG1 ILE 38 4.674 10.320 -17.701 297 HG13 ILE 38 1HG1 ILE 38 3.217 10.386 -16.719 298 HG21 ILE 38 1HG2 ILE 38 5.062 8.212 -19.235 299 HG22 ILE 38 2HG2 ILE 38 3.886 6.899 -19.169 300 HG23 ILE 38 3HG2 ILE 38 4.920 7.222 -17.780 301 HD11 ILE 38 1HD1 ILE 38 5.561 8.532 -16.284 302 HD12 ILE 38 2HD1 ILE 38 4.099 8.599 -15.293 303 HD13 ILE 38 3HD1 ILE 38 5.185 9.985 -15.366 304 H VAL 39 H VAL 39 0.391 7.895 -19.082 305 HA VAL 39 HA VAL 39 1.065 5.781 -20.794 306 HB VAL 39 HB VAL 39 -0.731 5.728 -19.061 307 HG11 VAL 39 1HG1 VAL 39 -3.009 6.583 -19.564 308 HG12 VAL 39 2HG1 VAL 39 -2.401 7.324 -21.044 309 HG13 VAL 39 3HG1 VAL 39 -1.817 7.884 -19.478 310 HG21 VAL 39 1HG2 VAL 39 -1.681 4.832 -21.820 311 HG22 VAL 39 2HG2 VAL 39 -2.306 4.245 -20.277 312 HG23 VAL 39 3HG2 VAL 39 -0.635 3.913 -20.731 313 H LYS 40 H LYS 40 -0.414 8.877 -21.485 314 HA LYS 40 HA LYS 40 -0.214 8.520 -24.351 315 HB2 LYS 40 2HB LYS 40 -2.494 7.561 -23.588 316 HB3 LYS 40 1HB LYS 40 -2.941 9.192 -23.118 317 HG2 LYS 40 2HG LYS 40 -2.146 8.468 -25.957 318 HG3 LYS 40 1HG LYS 40 -3.803 8.307 -25.373 319 HD2 LYS 40 2HD LYS 40 -3.851 10.742 -24.879 320 HD3 LYS 40 1HD LYS 40 -2.201 10.894 -25.487 321 HE2 LYS 40 2HE LYS 40 -2.969 10.146 -27.724 322 HE3 LYS 40 1HE LYS 40 -4.622 10.034 -27.115 323 HZ1 LYS 40 1HZ LYS 40 -4.205 12.116 -28.302 324 HZ2 LYS 40 2HZ LYS 40 -2.993 12.520 -27.192 325 HZ3 LYS 40 3HZ LYS 40 -4.597 12.395 -26.681 326 H LYS 41 H LYS 41 1.443 10.015 -23.545 327 HA LYS 41 HA LYS 41 2.309 12.133 -23.161 328 HB2 LYS 41 2HB LYS 41 2.374 11.593 -25.549 329 HB3 LYS 41 1HB LYS 41 0.803 12.340 -25.789 330 HG2 LYS 41 2HG LYS 41 1.792 14.547 -25.124 331 HG3 LYS 41 1HG LYS 41 3.374 13.764 -25.019 332 HD2 LYS 41 2HD LYS 41 1.650 13.956 -27.536 333 HD3 LYS 41 1HD LYS 41 3.057 14.965 -27.183 334 HE2 LYS 41 2HE LYS 41 3.109 11.944 -27.548 335 HE3 LYS 41 1HE LYS 41 3.585 13.133 -28.758 336 HZ1 LYS 41 1HZ LYS 41 4.905 12.698 -26.135 337 HZ2 LYS 41 2HZ LYS 41 5.349 13.875 -27.266 338 HZ3 LYS 41 3HZ LYS 41 5.491 12.240 -27.650 339 H ARG 42 H ARG 42 -0.616 13.245 -24.801 340 HA ARG 42 HA ARG 42 -1.766 14.428 -22.427 341 HB2 ARG 42 2HB ARG 42 -2.007 16.689 -23.451 342 HB3 ARG 42 1HB ARG 42 -0.330 16.257 -23.191 343 HG2 ARG 42 2HG ARG 42 -0.162 17.215 -25.281 344 HG3 ARG 42 1HG ARG 42 -0.414 15.532 -25.744 345 HD2 ARG 42 2HD ARG 42 -2.805 15.981 -26.144 346 HD3 ARG 42 1HD ARG 42 -2.603 17.646 -25.594 347 HE ARG 42 HE ARG 42 -1.523 16.479 -28.093 348 HH11 ARG 42 1HH1 ARG 42 -2.241 19.353 -26.205 349 HH12 ARG 42 2HH1 ARG 42 -2.017 20.433 -27.542 350 HH21 ARG 42 1HH2 ARG 42 -1.247 17.918 -29.844 351 HH22 ARG 42 2HH2 ARG 42 -1.472 19.627 -29.606 352 H LEU 43 H LEU 43 -4.061 14.806 -22.736 353 HA LEU 43 HA LEU 43 -5.317 12.949 -24.458 354 HB2 LEU 43 2HB LEU 43 -6.166 13.940 -22.212 355 HB3 LEU 43 1HB LEU 43 -6.718 15.316 -23.140 356 HG LEU 43 HG LEU 43 -8.517 13.651 -22.579 357 HD11 LEU 43 1HD1 LEU 43 -8.114 13.959 -25.566 358 HD12 LEU 43 2HD1 LEU 43 -8.852 15.145 -24.491 359 HD13 LEU 43 3HD1 LEU 43 -9.634 13.587 -24.742 360 HD21 LEU 43 1HD2 LEU 43 -7.189 11.601 -22.710 361 HD22 LEU 43 2HD2 LEU 43 -7.036 11.787 -24.459 362 HD23 LEU 43 3HD2 LEU 43 -8.617 11.488 -23.736 Start of MODEL 15 1 HA ARG 1 HA ARG 1 4.043 2.409 -3.008 2 HB2 ARG 1 2HB ARG 1 6.165 3.402 -3.954 3 HB3 ARG 1 1HB ARG 1 5.182 4.496 -4.921 4 HG2 ARG 1 2HG ARG 1 4.258 5.467 -2.825 5 HG3 ARG 1 1HG ARG 1 5.307 4.397 -1.892 6 HD2 ARG 1 2HD ARG 1 6.330 6.582 -2.013 7 HD3 ARG 1 1HD ARG 1 7.293 5.461 -2.975 8 HE ARG 1 HE ARG 1 5.304 6.957 -4.446 9 HH11 ARG 1 1HH1 ARG 1 8.663 6.962 -3.378 10 HH12 ARG 1 2HH1 ARG 1 9.159 8.084 -4.604 11 HH21 ARG 1 1HH2 ARG 1 5.994 8.397 -6.036 12 HH22 ARG 1 2HH2 ARG 1 7.660 8.879 -6.108 13 H LYS 2 H LYS 2 1.790 2.129 -3.160 14 HA LYS 2 HA LYS 2 -0.377 2.658 -3.304 15 HB2 LYS 2 2HB LYS 2 0.739 5.466 -3.500 16 HB3 LYS 2 1HB LYS 2 -0.988 5.192 -3.635 17 HG2 LYS 2 2HG LYS 2 -0.734 5.725 -1.386 18 HG3 LYS 2 1HG LYS 2 -0.797 3.966 -1.366 19 HD2 LYS 2 2HD LYS 2 0.938 4.676 0.152 20 HD3 LYS 2 1HD LYS 2 1.715 3.932 -1.249 21 HE2 LYS 2 2HE LYS 2 2.287 6.113 -2.162 22 HE3 LYS 2 1HE LYS 2 1.375 6.938 -0.893 23 HZ1 LYS 2 1HZ LYS 2 2.918 6.092 0.734 24 HZ2 LYS 2 2HZ LYS 2 3.768 6.921 -0.469 25 HZ3 LYS 2 3HZ LYS 2 3.763 5.229 -0.446 26 H TRP 3 H TRP 3 1.220 2.103 -5.903 27 HA TRP 3 HA TRP 3 -0.711 3.207 -7.837 28 HB2 TRP 3 2HB TRP 3 0.794 2.427 -9.598 29 HB3 TRP 3 1HB TRP 3 1.655 3.426 -8.449 30 HD1 TRP 3 HD1 TRP 3 1.157 -0.479 -8.633 31 HE1 TRP 3 HE1 TRP 3 3.473 -1.562 -8.437 32 HE3 TRP 3 HE3 TRP 3 4.028 3.745 -8.317 33 HZ2 TRP 3 HZ2 TRP 3 6.150 -0.749 -8.218 34 HZ3 TRP 3 HZ3 TRP 3 6.467 3.501 -8.138 35 HH2 TRP 3 HH2 TRP 3 7.509 1.298 -8.088 36 H GLU 4 H GLU 4 -1.311 1.012 -5.841 37 HA GLU 4 HA GLU 4 -1.731 -1.363 -7.446 38 HB2 GLU 4 2HB GLU 4 -2.705 -0.670 -4.642 39 HB3 GLU 4 1HB GLU 4 -2.895 -2.248 -5.408 40 HG2 GLU 4 2HG GLU 4 -0.441 -2.499 -5.521 41 HG3 GLU 4 1HG GLU 4 -0.251 -0.915 -4.765 42 H GLU 5 H GLU 5 -3.703 1.238 -6.105 43 HA GLU 5 HA GLU 5 -6.168 0.430 -7.334 44 HB2 GLU 5 2HB GLU 5 -6.079 1.895 -5.298 45 HB3 GLU 5 1HB GLU 5 -5.367 3.177 -6.268 46 HG2 GLU 5 2HG GLU 5 -7.757 3.578 -5.920 47 HG3 GLU 5 1HG GLU 5 -7.415 3.318 -7.630 48 H ILE 6 H ILE 6 -3.525 2.616 -8.123 49 HA ILE 6 HA ILE 6 -4.684 3.963 -10.319 50 HB ILE 6 HB ILE 6 -1.718 3.457 -9.809 51 HG12 ILE 6 2HG1 ILE 6 -3.505 5.738 -8.837 52 HG13 ILE 6 1HG1 ILE 6 -2.813 4.469 -7.833 53 HG21 ILE 6 1HG2 ILE 6 -1.314 5.517 -11.128 54 HG22 ILE 6 2HG2 ILE 6 -3.040 5.655 -11.462 55 HG23 ILE 6 3HG2 ILE 6 -2.122 4.290 -12.103 56 HD11 ILE 6 1HD1 ILE 6 -1.621 6.545 -7.583 57 HD12 ILE 6 2HD1 ILE 6 -1.279 6.599 -9.310 58 HD13 ILE 6 3HD1 ILE 6 -0.578 5.324 -8.306 59 H ALA 7 H ALA 7 -2.697 0.991 -10.136 60 HA ALA 7 HA ALA 7 -2.291 0.575 -12.913 61 HB1 ALA 7 1HB ALA 7 -2.369 -1.509 -10.703 62 HB2 ALA 7 2HB ALA 7 -0.961 -0.553 -11.165 63 HB3 ALA 7 3HB ALA 7 -1.646 -1.713 -12.305 64 H GLU 8 H GLU 8 -5.107 0.122 -10.972 65 HA GLU 8 HA GLU 8 -6.393 -1.772 -12.825 66 HB2 GLU 8 2HB GLU 8 -6.683 -2.137 -10.373 67 HB3 GLU 8 1HB GLU 8 -7.446 -0.554 -10.225 68 HG2 GLU 8 2HG GLU 8 -9.282 -1.316 -11.717 69 HG3 GLU 8 1HG GLU 8 -8.531 -2.905 -11.826 70 H ARG 9 H ARG 9 -6.860 1.499 -11.488 71 HA ARG 9 HA ARG 9 -9.139 2.219 -12.972 72 HB2 ARG 9 2HB ARG 9 -8.514 3.515 -10.980 73 HB3 ARG 9 1HB ARG 9 -7.003 4.020 -11.737 74 HG2 ARG 9 2HG ARG 9 -8.273 5.265 -13.454 75 HG3 ARG 9 1HG ARG 9 -9.787 4.762 -12.708 76 HD2 ARG 9 2HD ARG 9 -9.184 6.034 -10.662 77 HD3 ARG 9 1HD ARG 9 -7.663 6.526 -11.432 78 HE ARG 9 HE ARG 9 -9.990 7.154 -13.010 79 HH11 ARG 9 1HH1 ARG 9 -7.975 8.399 -10.407 80 HH12 ARG 9 2HH1 ARG 9 -8.457 10.043 -10.683 81 HH21 ARG 9 1HH2 ARG 9 -10.581 9.288 -13.358 82 HH22 ARG 9 2HH2 ARG 9 -9.943 10.544 -12.339 83 H LEU 10 H LEU 10 -5.723 2.984 -13.498 84 HA LEU 10 HA LEU 10 -5.747 4.470 -15.820 85 HB2 LEU 10 2HB LEU 10 -3.779 3.864 -14.251 86 HB3 LEU 10 1HB LEU 10 -3.649 2.367 -15.149 87 HG LEU 10 HG LEU 10 -3.150 3.670 -17.236 88 HD11 LEU 10 1HD1 LEU 10 -4.292 5.771 -16.695 89 HD12 LEU 10 2HD1 LEU 10 -2.602 6.070 -17.084 90 HD13 LEU 10 3HD1 LEU 10 -3.133 6.097 -15.403 91 HD21 LEU 10 1HD2 LEU 10 -1.270 4.253 -14.906 92 HD22 LEU 10 2HD2 LEU 10 -0.840 4.292 -16.618 93 HD23 LEU 10 3HD2 LEU 10 -1.301 2.770 -15.863 94 H ARG 11 H ARG 11 -5.769 0.983 -15.403 95 HA ARG 11 HA ARG 11 -5.341 0.106 -18.039 96 HB2 ARG 11 2HB ARG 11 -5.085 -1.278 -15.976 97 HB3 ARG 11 1HB ARG 11 -6.834 -1.284 -15.775 98 HG2 ARG 11 2HG ARG 11 -7.033 -2.495 -17.963 99 HG3 ARG 11 1HG ARG 11 -5.269 -2.568 -18.049 100 HD2 ARG 11 2HD ARG 11 -6.210 -4.673 -17.174 101 HD3 ARG 11 1HD ARG 11 -5.216 -3.873 -15.948 102 HE ARG 11 HE ARG 11 -8.132 -3.448 -15.933 103 HH11 ARG 11 1HH1 ARG 11 -5.333 -4.802 -14.309 104 HH12 ARG 11 2HH1 ARG 11 -6.231 -5.236 -12.893 105 HH21 ARG 11 1HH2 ARG 11 -9.276 -4.010 -14.059 106 HH22 ARG 11 2HH2 ARG 11 -8.446 -4.790 -12.749 107 H GLU 12 H GLU 12 -8.296 0.960 -16.306 108 HA GLU 12 HA GLU 12 -10.047 0.134 -18.530 109 HB2 GLU 12 2HB GLU 12 -10.441 -0.380 -16.030 110 HB3 GLU 12 1HB GLU 12 -10.850 1.316 -15.838 111 HG2 GLU 12 2HG GLU 12 -12.311 -0.471 -17.801 112 HG3 GLU 12 1HG GLU 12 -12.755 -0.416 -16.100 113 H GLU 13 H GLU 13 -8.594 2.947 -17.162 114 HA GLU 13 HA GLU 13 -10.500 4.966 -17.616 115 HB2 GLU 13 2HB GLU 13 -8.499 5.141 -16.073 116 HB3 GLU 13 1HB GLU 13 -7.466 5.278 -17.483 117 HG2 GLU 13 2HG GLU 13 -7.739 7.478 -16.684 118 HG3 GLU 13 1HG GLU 13 -8.772 7.371 -18.111 119 H PHE 14 H PHE 14 -7.588 4.076 -19.472 120 HA PHE 14 HA PHE 14 -8.509 5.606 -21.822 121 HB2 PHE 14 2HB PHE 14 -5.800 4.366 -21.155 122 HB3 PHE 14 1HB PHE 14 -6.154 5.228 -22.652 123 HD1 PHE 14 HD1 PHE 14 -6.869 7.676 -22.504 124 HD2 PHE 14 HD2 PHE 14 -5.162 5.580 -19.187 125 HE1 PHE 14 HE1 PHE 14 -6.327 9.818 -21.427 126 HE2 PHE 14 HE2 PHE 14 -4.615 7.738 -18.123 127 HZ PHE 14 HZ PHE 14 -5.205 9.853 -19.248 128 H ASN 15 H ASN 15 -9.150 2.689 -20.687 129 HA ASN 15 HA ASN 15 -9.575 0.592 -21.389 130 HB2 ASN 15 2HB ASN 15 -11.283 1.824 -22.685 131 HB3 ASN 15 1HB ASN 15 -10.159 2.026 -24.018 132 HD21 ASN 15 1HD2 ASN 15 -9.868 0.340 -25.445 133 HD22 ASN 15 2HD2 ASN 15 -10.789 -1.120 -25.405 134 H ILE 16 H ILE 16 -7.201 0.425 -21.033 135 HA ILE 16 HA ILE 16 -5.701 -0.391 -23.456 136 HB ILE 16 HB ILE 16 -3.618 0.267 -22.261 137 HG12 ILE 16 2HG1 ILE 16 -5.484 1.398 -20.112 138 HG13 ILE 16 1HG1 ILE 16 -4.404 0.025 -19.915 139 HG21 ILE 16 1HG2 ILE 16 -5.595 2.564 -22.502 140 HG22 ILE 16 2HG2 ILE 16 -4.625 1.882 -23.807 141 HG23 ILE 16 3HG2 ILE 16 -3.835 2.715 -22.472 142 HD11 ILE 16 1HD1 ILE 16 -3.585 2.894 -20.350 143 HD12 ILE 16 2HD1 ILE 16 -2.472 1.530 -20.205 144 HD13 ILE 16 3HD1 ILE 16 -3.501 1.985 -18.844 145 H ASN 17 H ASN 17 -4.022 -2.026 -23.039 146 HA ASN 17 HA ASN 17 -4.833 -4.203 -21.335 147 HB2 ASN 17 2HB ASN 17 -2.261 -3.763 -22.947 148 HB3 ASN 17 1HB ASN 17 -2.649 -5.255 -22.098 149 HD21 ASN 17 1HD2 ASN 17 -2.552 -6.436 -23.999 150 HD22 ASN 17 2HD2 ASN 17 -3.790 -6.364 -25.201 151 HA PRO 18 HA PRO 18 -2.406 -3.224 -17.570 152 HB2 PRO 18 2HB PRO 18 -1.178 -5.700 -17.095 153 HB3 PRO 18 1HB PRO 18 -2.818 -5.276 -16.590 154 HG2 PRO 18 2HG PRO 18 -1.922 -6.781 -19.051 155 HG3 PRO 18 1HG PRO 18 -3.258 -7.150 -17.935 156 HD2 PRO 18 2HD PRO 18 -3.746 -6.001 -20.290 157 HD3 PRO 18 1HD PRO 18 -4.638 -5.473 -18.846 158 H GLU 19 H GLU 19 -0.919 -4.803 -20.342 159 HA GLU 19 HA GLU 19 1.830 -4.325 -19.824 160 HB2 GLU 19 2HB GLU 19 0.408 -4.562 -22.505 161 HB3 GLU 19 1HB GLU 19 2.130 -4.819 -22.221 162 HG2 GLU 19 2HG GLU 19 1.732 -6.863 -21.044 163 HG3 GLU 19 1HG GLU 19 0.008 -6.526 -20.879 164 H GLU 20 H GLU 20 -0.702 -2.401 -21.380 165 HA GLU 20 HA GLU 20 1.089 -0.321 -22.312 166 HB2 GLU 20 2HB GLU 20 -1.896 0.122 -22.067 167 HB3 GLU 20 1HB GLU 20 -0.776 0.725 -23.283 168 HG2 GLU 20 2HG GLU 20 -1.966 -2.044 -23.062 169 HG3 GLU 20 1HG GLU 20 -2.288 -0.831 -24.292 170 H ALA 21 H ALA 21 -0.760 -1.037 -19.456 171 HA ALA 21 HA ALA 21 -0.617 1.559 -18.226 172 HB1 ALA 21 1HB ALA 21 -1.330 0.387 -16.180 173 HB2 ALA 21 2HB ALA 21 -1.080 -1.171 -16.973 174 HB3 ALA 21 3HB ALA 21 -2.330 -0.071 -17.558 175 H ARG 22 H ARG 22 1.475 -1.277 -18.426 176 HA ARG 22 HA ARG 22 3.346 -0.664 -16.397 177 HB2 ARG 22 2HB ARG 22 3.901 -2.121 -19.023 178 HB3 ARG 22 1HB ARG 22 4.965 -2.110 -17.621 179 HG2 ARG 22 2HG ARG 22 2.243 -3.431 -17.851 180 HG3 ARG 22 1HG ARG 22 3.811 -4.220 -17.692 181 HD2 ARG 22 2HD ARG 22 2.401 -2.552 -15.576 182 HD3 ARG 22 1HD ARG 22 2.603 -4.307 -15.574 183 HE ARG 22 HE ARG 22 5.036 -2.686 -15.610 184 HH11 ARG 22 1HH1 ARG 22 2.856 -4.654 -13.660 185 HH12 ARG 22 2HH1 ARG 22 3.979 -4.761 -12.339 186 HH21 ARG 22 1HH2 ARG 22 6.453 -2.849 -13.880 187 HH22 ARG 22 2HH2 ARG 22 5.998 -3.748 -12.473 188 H GLU 23 H GLU 23 5.677 -0.119 -16.894 189 HA GLU 23 HA GLU 23 7.215 1.452 -17.219 190 HB2 GLU 23 2HB GLU 23 5.659 2.259 -19.727 191 HB3 GLU 23 1HB GLU 23 7.278 2.818 -19.309 192 HG2 GLU 23 2HG GLU 23 6.509 -0.071 -19.891 193 HG3 GLU 23 1HG GLU 23 7.288 1.026 -21.035 194 H ALA 24 H ALA 24 4.162 2.992 -18.259 195 HA ALA 24 HA ALA 24 4.484 5.498 -17.167 196 HB1 ALA 24 1HB ALA 24 1.882 3.975 -17.554 197 HB2 ALA 24 2HB ALA 24 2.733 4.895 -18.797 198 HB3 ALA 24 3HB ALA 24 2.049 5.729 -17.404 199 H VAL 25 H VAL 25 2.660 2.785 -15.677 200 HA VAL 25 HA VAL 25 1.893 4.264 -13.389 201 HB VAL 25 HB VAL 25 0.654 2.273 -14.359 202 HG11 VAL 25 1HG1 VAL 25 1.260 -0.005 -13.632 203 HG12 VAL 25 2HG1 VAL 25 2.720 0.623 -12.866 204 HG13 VAL 25 3HG1 VAL 25 2.538 0.719 -14.616 205 HG21 VAL 25 1HG2 VAL 25 1.167 2.166 -11.361 206 HG22 VAL 25 2HG2 VAL 25 -0.224 1.464 -12.189 207 HG23 VAL 25 3HG2 VAL 25 0.002 3.212 -12.174 208 H GLU 26 H GLU 26 4.667 2.217 -14.033 209 HA GLU 26 HA GLU 26 5.438 1.835 -11.271 210 HB2 GLU 26 2HB GLU 26 5.987 0.194 -13.095 211 HB3 GLU 26 1HB GLU 26 7.075 1.382 -13.805 212 HG2 GLU 26 2HG GLU 26 8.444 1.356 -11.738 213 HG3 GLU 26 1HG GLU 26 7.370 0.143 -11.044 214 H LYS 27 H LYS 27 6.718 3.741 -14.007 215 HA LYS 27 HA LYS 27 8.777 5.066 -12.550 216 HB2 LYS 27 2HB LYS 27 7.490 5.785 -15.212 217 HB3 LYS 27 1HB LYS 27 8.974 6.508 -14.582 218 HG2 LYS 27 2HG LYS 27 10.110 4.340 -14.677 219 HG3 LYS 27 1HG LYS 27 8.613 3.555 -15.193 220 HD2 LYS 27 2HD LYS 27 8.636 4.947 -17.275 221 HD3 LYS 27 1HD LYS 27 10.186 5.632 -16.769 222 HE2 LYS 27 2HE LYS 27 9.642 2.698 -17.336 223 HE3 LYS 27 1HE LYS 27 10.491 3.815 -18.409 224 HZ1 LYS 27 1HZ LYS 27 12.192 4.079 -16.692 225 HZ2 LYS 27 2HZ LYS 27 12.045 2.468 -17.178 226 HZ3 LYS 27 3HZ LYS 27 11.392 2.967 -15.701 227 H ALA 28 H ALA 28 5.397 5.634 -12.910 228 HA ALA 28 HA ALA 28 5.199 8.377 -12.269 229 HB1 ALA 28 1HB ALA 28 3.219 6.161 -11.661 230 HB2 ALA 28 2HB ALA 28 3.319 7.080 -13.164 231 HB3 ALA 28 3HB ALA 28 2.873 7.895 -11.665 232 H GLY 29 H GLY 29 5.926 5.619 -10.318 233 HA2 GLY 29 2HA GLY 29 6.504 5.389 -8.113 234 HA3 GLY 29 1HA GLY 29 6.482 7.143 -7.965 235 H GLY 30 H GLY 30 3.621 5.691 -9.173 236 HA2 GLY 30 2HA GLY 30 1.552 5.297 -8.241 237 HA3 GLY 30 1HA GLY 30 2.222 5.522 -6.640 238 H ASN 31 H ASN 31 2.282 7.678 -9.438 239 HA ASN 31 HA ASN 31 0.301 9.467 -8.143 240 HB2 ASN 31 2HB ASN 31 2.579 10.514 -8.215 241 HB3 ASN 31 1HB ASN 31 2.622 10.311 -9.964 242 HD21 ASN 31 1HD2 ASN 31 1.093 12.021 -7.309 243 HD22 ASN 31 2HD2 ASN 31 0.405 13.289 -8.255 244 H GLU 32 H GLU 32 -1.527 9.618 -9.310 245 HA GLU 32 HA GLU 32 -1.998 7.993 -11.573 246 HB2 GLU 32 2HB GLU 32 -3.716 10.262 -10.469 247 HB3 GLU 32 1HB GLU 32 -4.262 9.027 -11.607 248 HG2 GLU 32 2HG GLU 32 -3.776 7.289 -9.868 249 HG3 GLU 32 1HG GLU 32 -3.368 8.576 -8.742 250 H GLU 33 H GLU 33 -1.751 11.518 -11.256 251 HA GLU 33 HA GLU 33 -2.322 12.275 -13.884 252 HB2 GLU 33 2HB GLU 33 -2.353 13.876 -12.023 253 HB3 GLU 33 1HB GLU 33 -0.626 13.666 -11.765 254 HG2 GLU 33 2HG GLU 33 -0.209 14.672 -14.026 255 HG3 GLU 33 1HG GLU 33 -1.943 14.949 -14.187 256 H GLU 34 H GLU 34 0.773 11.542 -12.300 257 HA GLU 34 HA GLU 34 2.558 12.267 -14.337 258 HB2 GLU 34 2HB GLU 34 3.207 11.776 -11.987 259 HB3 GLU 34 1HB GLU 34 2.849 10.077 -12.242 260 HG2 GLU 34 2HG GLU 34 5.217 10.360 -12.318 261 HG3 GLU 34 1HG GLU 34 4.670 9.986 -13.949 262 H ALA 35 H ALA 35 1.264 9.035 -13.523 263 HA ALA 35 HA ALA 35 2.267 7.586 -15.725 264 HB1 ALA 35 1HB ALA 35 0.591 5.880 -15.133 265 HB2 ALA 35 2HB ALA 35 -0.252 7.047 -14.109 266 HB3 ALA 35 3HB ALA 35 1.373 6.517 -13.682 267 H ARG 36 H ARG 36 -0.527 9.632 -15.378 268 HA ARG 36 HA ARG 36 -2.247 8.508 -17.290 269 HB2 ARG 36 2HB ARG 36 -2.841 10.003 -15.345 270 HB3 ARG 36 1HB ARG 36 -2.247 11.373 -16.271 271 HG2 ARG 36 2HG ARG 36 -4.005 11.162 -17.870 272 HG3 ARG 36 1HG ARG 36 -4.471 9.578 -17.251 273 HD2 ARG 36 2HD ARG 36 -5.131 10.692 -15.089 274 HD3 ARG 36 1HD ARG 36 -4.801 12.249 -15.856 275 HE ARG 36 HE ARG 36 -6.558 11.762 -17.465 276 HH11 ARG 36 1HH1 ARG 36 -6.645 9.866 -14.494 277 HH12 ARG 36 2HH1 ARG 36 -8.302 9.400 -14.721 278 HH21 ARG 36 1HH2 ARG 36 -8.726 11.151 -17.702 279 HH22 ARG 36 2HH2 ARG 36 -9.462 10.127 -16.510 280 H ARG 37 H ARG 37 0.318 10.942 -17.662 281 HA ARG 37 HA ARG 37 -0.299 11.039 -20.572 282 HB2 ARG 37 2HB ARG 37 0.568 13.235 -20.790 283 HB3 ARG 37 1HB ARG 37 -0.468 13.281 -19.378 284 HG2 ARG 37 2HG ARG 37 2.564 13.133 -19.289 285 HG3 ARG 37 1HG ARG 37 1.626 14.622 -19.173 286 HD2 ARG 37 2HD ARG 37 0.517 13.649 -17.131 287 HD3 ARG 37 1HD ARG 37 1.664 12.312 -17.210 288 HE ARG 37 HE ARG 37 2.179 15.052 -16.389 289 HH11 ARG 37 1HH1 ARG 37 3.668 12.012 -17.307 290 HH12 ARG 37 2HH1 ARG 37 5.156 12.369 -16.496 291 HH21 ARG 37 1HH2 ARG 37 4.142 15.503 -15.349 292 HH22 ARG 37 2HH2 ARG 37 5.433 14.345 -15.417 293 H ILE 38 H ILE 38 1.559 9.272 -18.711 294 HA ILE 38 HA ILE 38 3.848 9.249 -20.597 295 HB ILE 38 HB ILE 38 3.492 7.668 -18.000 296 HG12 ILE 38 2HG1 ILE 38 5.374 10.004 -18.598 297 HG13 ILE 38 1HG1 ILE 38 3.899 10.121 -17.645 298 HG21 ILE 38 1HG2 ILE 38 5.945 7.794 -19.815 299 HG22 ILE 38 2HG2 ILE 38 4.892 6.398 -19.596 300 HG23 ILE 38 3HG2 ILE 38 5.866 6.977 -18.248 301 HD11 ILE 38 1HD1 ILE 38 5.841 10.040 -16.216 302 HD12 ILE 38 2HD1 ILE 38 6.355 8.513 -16.933 303 HD13 ILE 38 3HD1 ILE 38 4.866 8.589 -15.984 304 H VAL 39 H VAL 39 0.860 7.596 -19.830 305 HA VAL 39 HA VAL 39 1.312 5.033 -20.847 306 HB VAL 39 HB VAL 39 -1.295 6.629 -20.942 307 HG11 VAL 39 1HG1 VAL 39 -0.900 3.635 -21.391 308 HG12 VAL 39 2HG1 VAL 39 -1.439 4.813 -22.590 309 HG13 VAL 39 3HG1 VAL 39 -2.462 4.440 -21.206 310 HG21 VAL 39 1HG2 VAL 39 -0.328 4.533 -18.959 311 HG22 VAL 39 2HG2 VAL 39 -1.912 5.312 -18.943 312 HG23 VAL 39 3HG2 VAL 39 -0.460 6.267 -18.664 313 H LYS 40 H LYS 40 2.471 4.888 -22.659 314 HA LYS 40 HA LYS 40 1.289 5.825 -25.220 315 HB2 LYS 40 2HB LYS 40 4.218 5.218 -24.588 316 HB3 LYS 40 1HB LYS 40 3.592 5.734 -26.151 317 HG2 LYS 40 2HG LYS 40 3.016 7.920 -25.257 318 HG3 LYS 40 1HG LYS 40 3.481 7.419 -23.629 319 HD2 LYS 40 2HD LYS 40 5.363 7.661 -26.019 320 HD3 LYS 40 1HD LYS 40 5.231 8.821 -24.695 321 HE2 LYS 40 2HE LYS 40 6.171 5.938 -24.454 322 HE3 LYS 40 1HE LYS 40 7.188 7.378 -24.401 323 HZ1 LYS 40 1HZ LYS 40 5.971 8.066 -22.401 324 HZ2 LYS 40 2HZ LYS 40 6.773 6.599 -22.199 325 HZ3 LYS 40 3HZ LYS 40 5.104 6.615 -22.432 326 H LYS 41 H LYS 41 0.192 4.071 -25.957 327 HA LYS 41 HA LYS 41 0.732 1.382 -25.248 328 HB2 LYS 41 2HB LYS 41 -0.925 2.523 -27.544 329 HB3 LYS 41 1HB LYS 41 -0.898 0.818 -27.087 330 HG2 LYS 41 2HG LYS 41 -1.691 1.538 -24.770 331 HG3 LYS 41 1HG LYS 41 -1.955 3.146 -25.449 332 HD2 LYS 41 2HD LYS 41 -3.291 0.574 -26.399 333 HD3 LYS 41 1HD LYS 41 -4.044 1.803 -25.381 334 HE2 LYS 41 2HE LYS 41 -3.768 3.451 -27.228 335 HE3 LYS 41 1HE LYS 41 -3.112 2.169 -28.248 336 HZ1 LYS 41 1HZ LYS 41 -5.218 0.984 -28.008 337 HZ2 LYS 41 2HZ LYS 41 -5.442 2.510 -28.693 338 HZ3 LYS 41 3HZ LYS 41 -5.837 2.253 -27.072 339 H ARG 42 H ARG 42 1.832 -0.218 -26.264 340 HA ARG 42 HA ARG 42 3.968 0.352 -28.047 341 HB2 ARG 42 2HB ARG 42 4.252 -2.151 -28.134 342 HB3 ARG 42 1HB ARG 42 4.146 -1.518 -26.496 343 HG2 ARG 42 2HG ARG 42 1.734 -2.194 -26.443 344 HG3 ARG 42 1HG ARG 42 1.941 -2.942 -28.023 345 HD2 ARG 42 2HD ARG 42 3.434 -4.610 -27.119 346 HD3 ARG 42 1HD ARG 42 3.561 -3.748 -25.583 347 HE ARG 42 HE ARG 42 1.483 -4.517 -24.946 348 HH11 ARG 42 1HH1 ARG 42 2.080 -5.580 -28.244 349 HH12 ARG 42 2HH1 ARG 42 0.664 -6.578 -28.287 350 HH21 ARG 42 1HH2 ARG 42 -0.354 -5.811 -25.034 351 HH22 ARG 42 2HH2 ARG 42 -0.700 -6.713 -26.476 352 H LEU 43 H LEU 43 0.682 -0.730 -28.506 353 HA LEU 43 HA LEU 43 1.049 -1.195 -31.385 354 HB2 LEU 43 2HB LEU 43 -1.545 -1.924 -30.985 355 HB3 LEU 43 1HB LEU 43 -0.180 -3.006 -30.828 356 HG LEU 43 HG LEU 43 -0.217 -2.470 -28.300 357 HD11 LEU 43 1HD1 LEU 43 -2.987 -1.415 -28.916 358 HD12 LEU 43 2HD1 LEU 43 -1.623 -0.477 -28.310 359 HD13 LEU 43 3HD1 LEU 43 -2.330 -1.740 -27.307 360 HD21 LEU 43 1HD2 LEU 43 -2.554 -3.997 -29.486 361 HD22 LEU 43 2HD2 LEU 43 -1.953 -4.150 -27.833 362 HD23 LEU 43 3HD2 LEU 43 -0.932 -4.628 -29.184 Start of MODEL 16 1 HA ARG 1 HA ARG 1 1.304 -2.257 -1.839 2 HB2 ARG 1 2HB ARG 1 0.049 0.298 -2.942 3 HB3 ARG 1 1HB ARG 1 -0.671 -1.300 -2.892 4 HG2 ARG 1 2HG ARG 1 -1.804 -0.176 -1.197 5 HG3 ARG 1 1HG ARG 1 -0.553 -1.031 -0.294 6 HD2 ARG 1 2HD ARG 1 0.798 1.013 -0.197 7 HD3 ARG 1 1HD ARG 1 -0.389 1.871 -1.188 8 HE ARG 1 HE ARG 1 -1.665 0.851 1.111 9 HH11 ARG 1 1HH1 ARG 1 0.664 3.343 0.255 10 HH12 ARG 1 2HH1 ARG 1 0.224 4.377 1.577 11 HH21 ARG 1 1HH2 ARG 1 -2.239 2.210 2.828 12 HH22 ARG 1 2HH2 ARG 1 -1.427 3.729 3.035 13 H LYS 2 H LYS 2 1.234 -3.206 -3.917 14 HA LYS 2 HA LYS 2 3.000 -2.199 -5.958 15 HB2 LYS 2 2HB LYS 2 2.171 -4.113 -7.326 16 HB3 LYS 2 1HB LYS 2 2.749 -4.607 -5.740 17 HG2 LYS 2 2HG LYS 2 0.372 -4.702 -4.959 18 HG3 LYS 2 1HG LYS 2 -0.145 -4.337 -6.609 19 HD2 LYS 2 2HD LYS 2 0.918 -6.414 -7.412 20 HD3 LYS 2 1HD LYS 2 1.490 -6.769 -5.779 21 HE2 LYS 2 2HE LYS 2 -0.503 -8.096 -6.289 22 HE3 LYS 2 1HE LYS 2 -0.855 -6.940 -5.005 23 HZ1 LYS 2 1HZ LYS 2 -1.934 -5.514 -6.630 24 HZ2 LYS 2 2HZ LYS 2 -2.633 -7.053 -6.642 25 HZ3 LYS 2 3HZ LYS 2 -1.565 -6.601 -7.871 26 H TRP 3 H TRP 3 2.187 -1.775 -8.246 27 HA TRP 3 HA TRP 3 0.230 0.401 -7.868 28 HB2 TRP 3 2HB TRP 3 2.310 0.113 -10.068 29 HB3 TRP 3 1HB TRP 3 1.414 1.566 -9.633 30 HD1 TRP 3 HD1 TRP 3 4.765 0.322 -9.281 31 HE1 TRP 3 HE1 TRP 3 5.987 1.276 -7.232 32 HE3 TRP 3 HE3 TRP 3 0.744 2.165 -6.677 33 HZ2 TRP 3 HZ2 TRP 3 5.358 2.628 -4.848 34 HZ3 TRP 3 HZ3 TRP 3 1.147 3.274 -4.521 35 HH2 TRP 3 HH2 TRP 3 3.410 3.499 -3.621 36 H GLU 4 H GLU 4 -0.531 -2.406 -8.504 37 HA GLU 4 HA GLU 4 -1.663 -2.448 -11.137 38 HB2 GLU 4 2HB GLU 4 -1.195 -4.540 -9.935 39 HB3 GLU 4 1HB GLU 4 -2.298 -4.084 -8.645 40 HG2 GLU 4 2HG GLU 4 -4.195 -4.209 -10.253 41 HG3 GLU 4 1HG GLU 4 -3.067 -4.730 -11.507 42 H GLU 5 H GLU 5 -2.799 -1.461 -7.927 43 HA GLU 5 HA GLU 5 -5.505 -0.903 -8.602 44 HB2 GLU 5 2HB GLU 5 -4.799 -1.156 -6.265 45 HB3 GLU 5 1HB GLU 5 -3.742 0.244 -6.395 46 HG2 GLU 5 2HG GLU 5 -5.691 1.715 -6.675 47 HG3 GLU 5 1HG GLU 5 -6.767 0.322 -6.624 48 H ILE 6 H ILE 6 -2.554 1.038 -8.690 49 HA ILE 6 HA ILE 6 -3.729 3.490 -9.550 50 HB ILE 6 HB ILE 6 -0.871 2.536 -10.056 51 HG12 ILE 6 2HG1 ILE 6 -1.339 2.317 -7.644 52 HG13 ILE 6 1HG1 ILE 6 -0.247 3.668 -7.911 53 HG21 ILE 6 1HG2 ILE 6 -0.284 4.931 -10.098 54 HG22 ILE 6 2HG2 ILE 6 -1.978 5.360 -9.858 55 HG23 ILE 6 3HG2 ILE 6 -1.477 4.545 -11.339 56 HD11 ILE 6 1HD1 ILE 6 -1.873 4.205 -6.217 57 HD12 ILE 6 2HD1 ILE 6 -3.204 3.848 -7.318 58 HD13 ILE 6 3HD1 ILE 6 -2.139 5.222 -7.634 59 H ALA 7 H ALA 7 -2.532 0.599 -11.165 60 HA ALA 7 HA ALA 7 -2.784 1.529 -13.864 61 HB1 ALA 7 1HB ALA 7 -1.261 -0.303 -13.260 62 HB2 ALA 7 2HB ALA 7 -2.419 -0.819 -14.485 63 HB3 ALA 7 3HB ALA 7 -2.637 -1.312 -12.805 64 H GLU 8 H GLU 8 -5.033 0.216 -11.544 65 HA GLU 8 HA GLU 8 -7.161 -0.523 -13.279 66 HB2 GLU 8 2HB GLU 8 -7.195 0.463 -10.394 67 HB3 GLU 8 1HB GLU 8 -8.640 -0.075 -11.240 68 HG2 GLU 8 2HG GLU 8 -6.202 -1.785 -10.671 69 HG3 GLU 8 1HG GLU 8 -7.699 -1.790 -9.739 70 H ARG 9 H ARG 9 -6.358 2.505 -11.582 71 HA ARG 9 HA ARG 9 -8.338 4.219 -12.538 72 HB2 ARG 9 2HB ARG 9 -6.739 4.884 -10.795 73 HB3 ARG 9 1HB ARG 9 -5.405 4.789 -11.930 74 HG2 ARG 9 2HG ARG 9 -5.902 7.101 -11.582 75 HG3 ARG 9 1HG ARG 9 -6.427 6.695 -13.214 76 HD2 ARG 9 2HD ARG 9 -8.042 8.155 -12.011 77 HD3 ARG 9 1HD ARG 9 -8.749 6.613 -12.490 78 HE ARG 9 HE ARG 9 -7.683 6.799 -9.773 79 HH11 ARG 9 1HH1 ARG 9 -10.581 6.944 -11.780 80 HH12 ARG 9 2HH1 ARG 9 -11.640 6.559 -10.461 81 HH21 ARG 9 1HH2 ARG 9 -9.097 6.309 -8.078 82 HH22 ARG 9 2HH2 ARG 9 -10.804 6.206 -8.374 83 H LEU 10 H LEU 10 -5.252 3.256 -13.991 84 HA LEU 10 HA LEU 10 -5.274 5.043 -16.189 85 HB2 LEU 10 2HB LEU 10 -3.829 2.372 -16.023 86 HB3 LEU 10 1HB LEU 10 -3.443 3.715 -17.096 87 HG LEU 10 HG LEU 10 -3.002 3.519 -14.111 88 HD11 LEU 10 1HD1 LEU 10 -1.282 2.499 -15.514 89 HD12 LEU 10 2HD1 LEU 10 -0.659 3.903 -14.655 90 HD13 LEU 10 3HD1 LEU 10 -1.054 4.028 -16.372 91 HD21 LEU 10 1HD2 LEU 10 -2.186 5.833 -14.104 92 HD22 LEU 10 2HD2 LEU 10 -3.900 5.752 -14.490 93 HD23 LEU 10 3HD2 LEU 10 -2.723 6.038 -15.774 94 H ARG 11 H ARG 11 -6.435 1.677 -15.836 95 HA ARG 11 HA ARG 11 -6.882 1.328 -18.672 96 HB2 ARG 11 2HB ARG 11 -7.624 -0.899 -18.202 97 HB3 ARG 11 1HB ARG 11 -6.237 -0.589 -17.164 98 HG2 ARG 11 2HG ARG 11 -7.691 -0.295 -15.234 99 HG3 ARG 11 1HG ARG 11 -9.128 -0.433 -16.251 100 HD2 ARG 11 2HD ARG 11 -8.408 -2.778 -16.841 101 HD3 ARG 11 1HD ARG 11 -7.096 -2.613 -15.668 102 HE ARG 11 HE ARG 11 -8.644 -2.672 -13.926 103 HH11 ARG 11 1HH1 ARG 11 -10.306 -3.002 -17.008 104 HH12 ARG 11 2HH1 ARG 11 -11.803 -3.473 -16.278 105 HH21 ARG 11 1HH2 ARG 11 -10.594 -3.305 -12.985 106 HH22 ARG 11 2HH2 ARG 11 -11.965 -3.663 -13.993 107 H GLU 12 H GLU 12 -8.818 2.374 -15.958 108 HA GLU 12 HA GLU 12 -11.352 2.165 -17.372 109 HB2 GLU 12 2HB GLU 12 -10.667 3.502 -14.723 110 HB3 GLU 12 1HB GLU 12 -12.301 3.317 -15.361 111 HG2 GLU 12 2HG GLU 12 -10.412 1.084 -14.549 112 HG3 GLU 12 1HG GLU 12 -11.820 1.640 -13.648 113 H GLU 13 H GLU 13 -8.877 4.621 -16.819 114 HA GLU 13 HA GLU 13 -10.292 6.813 -17.973 115 HB2 GLU 13 2HB GLU 13 -7.334 6.225 -17.550 116 HB3 GLU 13 1HB GLU 13 -7.857 7.654 -18.430 117 HG2 GLU 13 2HG GLU 13 -8.508 6.988 -15.544 118 HG3 GLU 13 1HG GLU 13 -7.363 8.205 -16.111 119 H PHE 14 H PHE 14 -7.596 4.934 -19.316 120 HA PHE 14 HA PHE 14 -8.745 5.094 -22.037 121 HB2 PHE 14 2HB PHE 14 -5.797 4.843 -21.270 122 HB3 PHE 14 1HB PHE 14 -6.442 5.061 -22.895 123 HD1 PHE 14 HD1 PHE 14 -5.200 6.756 -19.977 124 HD2 PHE 14 HD2 PHE 14 -7.742 7.260 -23.377 125 HE1 PHE 14 HE1 PHE 14 -5.068 9.200 -19.726 126 HE2 PHE 14 HE2 PHE 14 -7.590 9.707 -23.122 127 HZ PHE 14 HZ PHE 14 -6.258 10.679 -21.292 128 H ASN 15 H ASN 15 -9.205 3.149 -22.952 129 HA ASN 15 HA ASN 15 -9.048 0.713 -21.504 130 HB2 ASN 15 2HB ASN 15 -9.569 1.172 -24.479 131 HB3 ASN 15 1HB ASN 15 -9.786 -0.365 -23.653 132 HD21 ASN 15 1HD2 ASN 15 -10.945 0.793 -21.207 133 HD22 ASN 15 2HD2 ASN 15 -12.533 1.313 -21.637 134 H ILE 16 H ILE 16 -6.977 0.201 -20.904 135 HA ILE 16 HA ILE 16 -4.989 -0.413 -23.025 136 HB ILE 16 HB ILE 16 -3.155 0.303 -21.603 137 HG12 ILE 16 2HG1 ILE 16 -5.238 0.997 -19.471 138 HG13 ILE 16 1HG1 ILE 16 -4.086 -0.331 -19.385 139 HG21 ILE 16 1HG2 ILE 16 -5.267 2.493 -21.622 140 HG22 ILE 16 2HG2 ILE 16 -4.208 2.070 -22.965 141 HG23 ILE 16 3HG2 ILE 16 -3.524 2.731 -21.484 142 HD11 ILE 16 1HD1 ILE 16 -3.346 1.455 -18.001 143 HD12 ILE 16 2HD1 ILE 16 -3.473 2.613 -19.321 144 HD13 ILE 16 3HD1 ILE 16 -2.251 1.337 -19.376 145 H ASN 17 H ASN 17 -3.337 -1.968 -22.331 146 HA ASN 17 HA ASN 17 -4.362 -4.225 -20.788 147 HB2 ASN 17 2HB ASN 17 -1.793 -3.791 -22.390 148 HB3 ASN 17 1HB ASN 17 -2.212 -5.311 -21.605 149 HD21 ASN 17 1HD2 ASN 17 -1.774 -4.654 -24.463 150 HD22 ASN 17 2HD2 ASN 17 -3.200 -5.178 -25.281 151 HA PRO 18 HA PRO 18 -1.882 -3.375 -17.042 152 HB2 PRO 18 2HB PRO 18 -0.857 -5.906 -16.494 153 HB3 PRO 18 1HB PRO 18 -2.490 -5.385 -16.061 154 HG2 PRO 18 2HG PRO 18 -1.580 -6.971 -18.462 155 HG3 PRO 18 1HG PRO 18 -2.973 -7.256 -17.393 156 HD2 PRO 18 2HD PRO 18 -3.306 -6.099 -19.783 157 HD3 PRO 18 1HD PRO 18 -4.237 -5.536 -18.374 158 H GLU 19 H GLU 19 -0.528 -4.987 -19.857 159 HA GLU 19 HA GLU 19 2.240 -4.616 -19.279 160 HB2 GLU 19 2HB GLU 19 0.816 -4.969 -21.948 161 HB3 GLU 19 1HB GLU 19 2.564 -5.046 -21.723 162 HG2 GLU 19 2HG GLU 19 2.177 -6.983 -20.134 163 HG3 GLU 19 1HG GLU 19 0.483 -6.963 -20.634 164 H GLU 20 H GLU 20 -0.183 -2.722 -21.052 165 HA GLU 20 HA GLU 20 1.657 -0.699 -21.961 166 HB2 GLU 20 2HB GLU 20 -1.394 -0.658 -21.849 167 HB3 GLU 20 1HB GLU 20 -0.386 0.478 -22.750 168 HG2 GLU 20 2HG GLU 20 0.445 -1.416 -24.142 169 HG3 GLU 20 1HG GLU 20 -0.625 -2.511 -23.269 170 H ALA 21 H ALA 21 -0.408 -1.150 -19.173 171 HA ALA 21 HA ALA 21 -0.068 1.424 -17.975 172 HB1 ALA 21 1HB ALA 21 -1.910 -0.104 -17.336 173 HB2 ALA 21 2HB ALA 21 -0.938 0.353 -15.936 174 HB3 ALA 21 3HB ALA 21 -0.731 -1.238 -16.672 175 H ARG 22 H ARG 22 1.608 -1.684 -17.780 176 HA ARG 22 HA ARG 22 3.428 -1.257 -15.697 177 HB2 ARG 22 2HB ARG 22 2.987 -3.464 -16.730 178 HB3 ARG 22 1HB ARG 22 3.718 -2.924 -18.233 179 HG2 ARG 22 2HG ARG 22 5.913 -2.746 -17.085 180 HG3 ARG 22 1HG ARG 22 5.167 -3.359 -15.604 181 HD2 ARG 22 2HD ARG 22 6.326 -5.166 -16.790 182 HD3 ARG 22 1HD ARG 22 4.585 -5.467 -16.774 183 HE ARG 22 HE ARG 22 5.888 -4.229 -19.124 184 HH11 ARG 22 1HH1 ARG 22 3.976 -6.862 -17.799 185 HH12 ARG 22 2HH1 ARG 22 3.698 -7.595 -19.347 186 HH21 ARG 22 1HH2 ARG 22 5.483 -5.184 -21.154 187 HH22 ARG 22 2HH2 ARG 22 4.533 -6.638 -21.249 188 H GLU 23 H GLU 23 5.570 -0.577 -15.657 189 HA GLU 23 HA GLU 23 7.353 0.733 -15.973 190 HB2 GLU 23 2HB GLU 23 6.630 0.836 -18.934 191 HB3 GLU 23 1HB GLU 23 8.114 1.471 -18.223 192 HG2 GLU 23 2HG GLU 23 8.724 -0.812 -17.500 193 HG3 GLU 23 1HG GLU 23 7.265 -1.443 -18.273 194 H ALA 24 H ALA 24 4.691 1.981 -18.028 195 HA ALA 24 HA ALA 24 5.078 4.713 -17.765 196 HB1 ALA 24 1HB ALA 24 2.712 4.942 -18.447 197 HB2 ALA 24 2HB ALA 24 2.432 3.243 -18.059 198 HB3 ALA 24 3HB ALA 24 3.519 3.676 -19.377 199 H VAL 25 H VAL 25 3.363 2.515 -15.622 200 HA VAL 25 HA VAL 25 2.404 4.556 -13.830 201 HB VAL 25 HB VAL 25 1.114 2.462 -14.272 202 HG11 VAL 25 1HG1 VAL 25 3.272 1.025 -12.677 203 HG12 VAL 25 2HG1 VAL 25 2.952 0.828 -14.402 204 HG13 VAL 25 3HG1 VAL 25 1.746 0.319 -13.219 205 HG21 VAL 25 1HG2 VAL 25 1.868 2.862 -11.354 206 HG22 VAL 25 2HG2 VAL 25 0.418 2.034 -11.933 207 HG23 VAL 25 3HG2 VAL 25 0.635 3.756 -12.249 208 H GLU 26 H GLU 26 5.172 2.432 -14.017 209 HA GLU 26 HA GLU 26 5.836 2.578 -11.207 210 HB2 GLU 26 2HB GLU 26 6.291 0.554 -12.632 211 HB3 GLU 26 1HB GLU 26 7.519 1.472 -13.494 212 HG2 GLU 26 2HG GLU 26 8.839 1.695 -11.450 213 HG3 GLU 26 1HG GLU 26 7.580 0.892 -10.514 214 H LYS 27 H LYS 27 6.979 4.128 -14.195 215 HA LYS 27 HA LYS 27 9.091 5.627 -12.952 216 HB2 LYS 27 2HB LYS 27 9.254 6.851 -15.063 217 HB3 LYS 27 1HB LYS 27 9.158 5.120 -15.357 218 HG2 LYS 27 2HG LYS 27 6.791 5.331 -16.000 219 HG3 LYS 27 1HG LYS 27 6.840 7.065 -15.671 220 HD2 LYS 27 2HD LYS 27 8.537 5.642 -17.764 221 HD3 LYS 27 1HD LYS 27 7.038 6.504 -18.106 222 HE2 LYS 27 2HE LYS 27 8.061 8.608 -17.319 223 HE3 LYS 27 1HE LYS 27 9.558 7.755 -16.948 224 HZ1 LYS 27 1HZ LYS 27 9.822 7.252 -19.279 225 HZ2 LYS 27 2HZ LYS 27 9.647 8.921 -19.058 226 HZ3 LYS 27 3HZ LYS 27 8.353 8.009 -19.646 227 H ALA 28 H ALA 28 5.675 5.993 -13.241 228 HA ALA 28 HA ALA 28 5.583 8.775 -12.390 229 HB1 ALA 28 1HB ALA 28 3.811 7.828 -13.822 230 HB2 ALA 28 2HB ALA 28 3.150 8.407 -12.294 231 HB3 ALA 28 3HB ALA 28 3.390 6.676 -12.554 232 H GLY 29 H GLY 29 6.575 6.095 -10.817 233 HA2 GLY 29 2HA GLY 29 6.786 5.431 -8.635 234 HA3 GLY 29 1HA GLY 29 6.030 6.946 -8.135 235 H GLY 30 H GLY 30 3.821 7.057 -7.917 236 HA2 GLY 30 2HA GLY 30 2.070 4.817 -8.600 237 HA3 GLY 30 1HA GLY 30 2.190 5.231 -6.888 238 H ASN 31 H ASN 31 2.542 7.662 -9.344 239 HA ASN 31 HA ASN 31 0.249 9.132 -8.312 240 HB2 ASN 31 2HB ASN 31 2.373 9.923 -10.354 241 HB3 ASN 31 1HB ASN 31 1.110 10.986 -9.752 242 HD21 ASN 31 1HD2 ASN 31 1.269 10.155 -6.982 243 HD22 ASN 31 2HD2 ASN 31 2.761 10.755 -6.364 244 H GLU 32 H GLU 32 -1.668 8.933 -9.231 245 HA GLU 32 HA GLU 32 -2.125 7.095 -11.319 246 HB2 GLU 32 2HB GLU 32 -4.040 9.087 -10.042 247 HB3 GLU 32 1HB GLU 32 -4.514 7.699 -11.017 248 HG2 GLU 32 2HG GLU 32 -3.604 6.163 -9.331 249 HG3 GLU 32 1HG GLU 32 -3.035 7.531 -8.372 250 H GLU 33 H GLU 33 -2.705 10.629 -11.181 251 HA GLU 33 HA GLU 33 -3.638 10.783 -13.885 252 HB2 GLU 33 2HB GLU 33 -4.424 12.298 -12.079 253 HB3 GLU 33 1HB GLU 33 -2.823 13.019 -11.993 254 HG2 GLU 33 2HG GLU 33 -3.055 13.914 -14.251 255 HG3 GLU 33 1HG GLU 33 -4.603 13.089 -14.449 256 H GLU 34 H GLU 34 -0.516 11.131 -12.361 257 HA GLU 34 HA GLU 34 0.957 12.280 -14.495 258 HB2 GLU 34 2HB GLU 34 1.864 12.051 -12.195 259 HB3 GLU 34 1HB GLU 34 1.811 10.302 -12.329 260 HG2 GLU 34 2HG GLU 34 4.074 10.920 -12.595 261 HG3 GLU 34 1HG GLU 34 3.500 10.466 -14.193 262 H ALA 35 H ALA 35 0.524 8.850 -13.530 263 HA ALA 35 HA ALA 35 1.784 7.656 -15.769 264 HB1 ALA 35 1HB ALA 35 1.461 6.500 -13.616 265 HB2 ALA 35 2HB ALA 35 0.787 5.560 -14.945 266 HB3 ALA 35 3HB ALA 35 -0.283 6.474 -13.881 267 H ARG 36 H ARG 36 -1.428 8.813 -15.248 268 HA ARG 36 HA ARG 36 -2.978 7.544 -17.210 269 HB2 ARG 36 2HB ARG 36 -3.904 8.841 -15.380 270 HB3 ARG 36 1HB ARG 36 -3.088 10.292 -15.929 271 HG2 ARG 36 2HG ARG 36 -4.595 10.292 -17.948 272 HG3 ARG 36 1HG ARG 36 -5.479 8.944 -17.217 273 HD2 ARG 36 2HD ARG 36 -5.969 10.343 -15.229 274 HD3 ARG 36 1HD ARG 36 -5.070 11.684 -15.950 275 HE ARG 36 HE ARG 36 -7.302 10.677 -17.520 276 HH11 ARG 36 1HH1 ARG 36 -6.280 13.064 -15.133 277 HH12 ARG 36 2HH1 ARG 36 -7.642 14.094 -15.414 278 HH21 ARG 36 1HH2 ARG 36 -9.078 12.032 -17.851 279 HH22 ARG 36 2HH2 ARG 36 -9.221 13.515 -16.966 280 H ARG 37 H ARG 37 -0.849 10.377 -17.418 281 HA ARG 37 HA ARG 37 -1.467 10.744 -20.273 282 HB2 ARG 37 2HB ARG 37 -0.318 12.882 -20.118 283 HB3 ARG 37 1HB ARG 37 -1.495 12.758 -18.814 284 HG2 ARG 37 2HG ARG 37 0.316 12.200 -17.234 285 HG3 ARG 37 1HG ARG 37 1.495 12.327 -18.542 286 HD2 ARG 37 2HD ARG 37 0.783 14.728 -18.840 287 HD3 ARG 37 1HD ARG 37 -0.207 14.559 -17.384 288 HE ARG 37 HE ARG 37 2.155 13.781 -16.449 289 HH11 ARG 37 1HH1 ARG 37 1.387 16.589 -18.425 290 HH12 ARG 37 2HH1 ARG 37 2.735 17.512 -17.845 291 HH21 ARG 37 1HH2 ARG 37 3.936 14.989 -15.723 292 HH22 ARG 37 2HH2 ARG 37 4.184 16.601 -16.325 293 H ILE 38 H ILE 38 0.865 9.190 -18.302 294 HA ILE 38 HA ILE 38 3.065 9.354 -20.204 295 HB ILE 38 HB ILE 38 2.757 7.640 -17.691 296 HG12 ILE 38 2HG1 ILE 38 4.386 10.177 -18.195 297 HG13 ILE 38 1HG1 ILE 38 2.919 10.079 -17.232 298 HG21 ILE 38 1HG2 ILE 38 5.247 8.026 -19.403 299 HG22 ILE 38 2HG2 ILE 38 4.305 6.541 -19.269 300 HG23 ILE 38 3HG2 ILE 38 5.174 7.157 -17.867 301 HD11 ILE 38 1HD1 ILE 38 4.866 10.198 -15.814 302 HD12 ILE 38 2HD1 ILE 38 5.569 8.782 -16.591 303 HD13 ILE 38 3HD1 ILE 38 4.098 8.622 -15.628 304 H VAL 39 H VAL 39 0.416 7.093 -19.487 305 HA VAL 39 HA VAL 39 1.423 4.963 -21.105 306 HB VAL 39 HB VAL 39 -0.226 4.411 -19.416 307 HG11 VAL 39 1HG1 VAL 39 -1.601 6.449 -19.361 308 HG12 VAL 39 2HG1 VAL 39 -2.618 5.019 -19.548 309 HG13 VAL 39 3HG1 VAL 39 -2.283 6.054 -20.939 310 HG21 VAL 39 1HG2 VAL 39 -0.093 2.932 -21.363 311 HG22 VAL 39 2HG2 VAL 39 -1.305 3.894 -22.213 312 HG23 VAL 39 3HG2 VAL 39 -1.754 2.990 -20.769 313 H LYS 40 H LYS 40 2.077 5.669 -23.033 314 HA LYS 40 HA LYS 40 0.225 7.062 -24.881 315 HB2 LYS 40 2HB LYS 40 3.278 6.874 -24.972 316 HB3 LYS 40 1HB LYS 40 2.273 7.797 -26.085 317 HG2 LYS 40 2HG LYS 40 2.467 8.352 -23.103 318 HG3 LYS 40 1HG LYS 40 3.452 9.160 -24.323 319 HD2 LYS 40 2HD LYS 40 0.408 9.241 -24.297 320 HD3 LYS 40 1HD LYS 40 1.420 10.454 -23.511 321 HE2 LYS 40 2HE LYS 40 2.420 11.049 -25.682 322 HE3 LYS 40 1HE LYS 40 1.460 9.805 -26.483 323 HZ1 LYS 40 1HZ LYS 40 -0.541 10.990 -25.886 324 HZ2 LYS 40 2HZ LYS 40 0.509 12.021 -26.725 325 HZ3 LYS 40 3HZ LYS 40 0.358 12.153 -25.049 326 H LYS 41 H LYS 41 -0.699 5.681 -26.305 327 HA LYS 41 HA LYS 41 0.824 3.313 -27.253 328 HB2 LYS 41 2HB LYS 41 -1.331 2.174 -27.609 329 HB3 LYS 41 1HB LYS 41 -1.093 2.620 -25.925 330 HG2 LYS 41 2HG LYS 41 -2.700 4.423 -26.099 331 HG3 LYS 41 1HG LYS 41 -2.818 4.218 -27.850 332 HD2 LYS 41 2HD LYS 41 -4.761 3.212 -26.655 333 HD3 LYS 41 1HD LYS 41 -3.846 2.021 -27.579 334 HE2 LYS 41 2HE LYS 41 -2.645 1.434 -25.411 335 HE3 LYS 41 1HE LYS 41 -3.828 2.443 -24.580 336 HZ1 LYS 41 1HZ LYS 41 -4.375 0.065 -24.594 337 HZ2 LYS 41 2HZ LYS 41 -4.494 0.103 -26.277 338 HZ3 LYS 41 3HZ LYS 41 -5.573 1.002 -25.337 339 H ARG 42 H ARG 42 -0.155 6.307 -28.297 340 HA ARG 42 HA ARG 42 -0.643 5.586 -31.081 341 HB2 ARG 42 2HB ARG 42 -0.175 8.252 -29.694 342 HB3 ARG 42 1HB ARG 42 -0.221 8.129 -31.442 343 HG2 ARG 42 2HG ARG 42 -2.362 8.891 -30.719 344 HG3 ARG 42 1HG ARG 42 -2.559 7.230 -31.268 345 HD2 ARG 42 2HD ARG 42 -2.647 6.442 -28.961 346 HD3 ARG 42 1HD ARG 42 -2.290 8.064 -28.363 347 HE ARG 42 HE ARG 42 -4.796 7.195 -29.652 348 HH11 ARG 42 1HH1 ARG 42 -3.097 9.614 -27.698 349 HH12 ARG 42 2HH1 ARG 42 -4.551 10.475 -27.312 350 HH21 ARG 42 1HH2 ARG 42 -6.682 8.323 -29.088 351 HH22 ARG 42 2HH2 ARG 42 -6.578 9.737 -28.082 352 H LEU 43 H LEU 43 1.124 4.223 -31.414 353 HA LEU 43 HA LEU 43 3.638 5.503 -32.150 354 HB2 LEU 43 2HB LEU 43 4.904 3.609 -30.837 355 HB3 LEU 43 1HB LEU 43 4.356 5.038 -29.988 356 HG LEU 43 HG LEU 43 2.371 3.722 -29.157 357 HD11 LEU 43 1HD1 LEU 43 2.259 1.947 -30.818 358 HD12 LEU 43 2HD1 LEU 43 2.415 1.282 -29.195 359 HD13 LEU 43 3HD1 LEU 43 3.815 1.311 -30.270 360 HD21 LEU 43 1HD2 LEU 43 4.312 4.083 -27.712 361 HD22 LEU 43 2HD2 LEU 43 5.084 2.631 -28.353 362 HD23 LEU 43 3HD2 LEU 43 3.595 2.501 -27.413 Start of MODEL 17 1 HA ARG 1 HA ARG 1 3.582 -1.559 -1.486 2 HB2 ARG 1 2HB ARG 1 5.455 -1.272 -3.878 3 HB3 ARG 1 1HB ARG 1 4.366 -0.019 -3.279 4 HG2 ARG 1 2HG ARG 1 5.637 0.017 -1.135 5 HG3 ARG 1 1HG ARG 1 6.760 -1.175 -1.800 6 HD2 ARG 1 2HD ARG 1 7.634 1.144 -1.950 7 HD3 ARG 1 1HD ARG 1 7.450 0.400 -3.544 8 HE ARG 1 HE ARG 1 5.255 2.073 -2.546 9 HH11 ARG 1 1HH1 ARG 1 8.041 1.873 -4.681 10 HH12 ARG 1 2HH1 ARG 1 7.515 3.196 -5.672 11 HH21 ARG 1 1HH2 ARG 1 4.596 3.814 -3.857 12 HH22 ARG 1 2HH2 ARG 1 5.587 4.301 -5.198 13 H LYS 2 H LYS 2 1.802 -0.867 -2.802 14 HA LYS 2 HA LYS 2 0.938 -2.808 -4.860 15 HB2 LYS 2 2HB LYS 2 -0.706 -0.824 -3.214 16 HB3 LYS 2 1HB LYS 2 -1.365 -1.836 -4.501 17 HG2 LYS 2 2HG LYS 2 -0.670 -3.866 -3.171 18 HG3 LYS 2 1HG LYS 2 -0.186 -2.777 -1.862 19 HD2 LYS 2 2HD LYS 2 -2.517 -1.927 -1.726 20 HD3 LYS 2 1HD LYS 2 -2.995 -3.037 -3.016 21 HE2 LYS 2 2HE LYS 2 -2.374 -4.953 -1.582 22 HE3 LYS 2 1HE LYS 2 -1.915 -3.841 -0.290 23 HZ1 LYS 2 1HZ LYS 2 -4.131 -4.713 0.064 24 HZ2 LYS 2 2HZ LYS 2 -4.628 -4.148 -1.451 25 HZ3 LYS 2 3HZ LYS 2 -4.205 -3.051 -0.245 26 H TRP 3 H TRP 3 0.604 -2.194 -6.877 27 HA TRP 3 HA TRP 3 0.371 0.671 -7.626 28 HB2 TRP 3 2HB TRP 3 1.147 -0.048 -9.898 29 HB3 TRP 3 1HB TRP 3 2.351 -0.407 -8.674 30 HD1 TRP 3 HD1 TRP 3 0.201 -2.105 -11.306 31 HE1 TRP 3 HE1 TRP 3 0.725 -4.620 -11.353 32 HE3 TRP 3 HE3 TRP 3 3.096 -2.439 -7.084 33 HZ2 TRP 3 HZ2 TRP 3 2.160 -6.502 -9.822 34 HZ3 TRP 3 HZ3 TRP 3 3.999 -4.635 -6.443 35 HH2 TRP 3 HH2 TRP 3 3.542 -6.630 -7.784 36 H GLU 4 H GLU 4 -1.645 -1.161 -6.510 37 HA GLU 4 HA GLU 4 -3.156 -2.427 -8.605 38 HB2 GLU 4 2HB GLU 4 -2.945 -3.381 -6.308 39 HB3 GLU 4 1HB GLU 4 -3.825 -2.003 -5.654 40 HG2 GLU 4 2HG GLU 4 -5.827 -2.679 -6.972 41 HG3 GLU 4 1HG GLU 4 -4.944 -4.072 -7.586 42 H GLU 5 H GLU 5 -3.723 0.271 -6.372 43 HA GLU 5 HA GLU 5 -6.322 0.989 -7.213 44 HB2 GLU 5 2HB GLU 5 -4.176 2.631 -5.793 45 HB3 GLU 5 1HB GLU 5 -5.825 3.188 -6.038 46 HG2 GLU 5 2HG GLU 5 -5.542 2.364 -3.781 47 HG3 GLU 5 1HG GLU 5 -6.689 1.371 -4.674 48 H ILE 6 H ILE 6 -3.142 2.002 -8.221 49 HA ILE 6 HA ILE 6 -3.906 4.132 -9.951 50 HB ILE 6 HB ILE 6 -1.337 2.475 -10.039 51 HG12 ILE 6 2HG1 ILE 6 -1.909 5.044 -8.469 52 HG13 ILE 6 1HG1 ILE 6 -1.772 3.437 -7.764 53 HG21 ILE 6 1HG2 ILE 6 -1.647 3.847 -12.072 54 HG22 ILE 6 2HG2 ILE 6 -0.319 4.482 -11.103 55 HG23 ILE 6 3HG2 ILE 6 -1.887 5.291 -11.085 56 HD11 ILE 6 1HD1 ILE 6 0.231 4.727 -7.402 57 HD12 ILE 6 2HD1 ILE 6 0.430 4.976 -9.134 58 HD13 ILE 6 3HD1 ILE 6 0.580 3.354 -8.452 59 H ALA 7 H ALA 7 -2.873 0.756 -10.553 60 HA ALA 7 HA ALA 7 -3.184 0.791 -13.372 61 HB1 ALA 7 1HB ALA 7 -1.696 -0.802 -12.220 62 HB2 ALA 7 2HB ALA 7 -2.840 -1.631 -13.278 63 HB3 ALA 7 3HB ALA 7 -3.102 -1.620 -11.531 64 H GLU 8 H GLU 8 -5.436 0.252 -10.797 65 HA GLU 8 HA GLU 8 -7.493 -1.133 -12.179 66 HB2 GLU 8 2HB GLU 8 -7.456 -1.082 -9.747 67 HB3 GLU 8 1HB GLU 8 -7.564 0.673 -9.726 68 HG2 GLU 8 2HG GLU 8 -9.699 -0.343 -9.107 69 HG3 GLU 8 1HG GLU 8 -9.847 0.582 -10.600 70 H ARG 9 H ARG 9 -7.172 2.335 -11.315 71 HA ARG 9 HA ARG 9 -9.363 3.164 -12.975 72 HB2 ARG 9 2HB ARG 9 -7.181 4.775 -11.587 73 HB3 ARG 9 1HB ARG 9 -8.581 5.481 -12.397 74 HG2 ARG 9 2HG ARG 9 -8.638 3.665 -9.958 75 HG3 ARG 9 1HG ARG 9 -8.941 5.407 -9.982 76 HD2 ARG 9 2HD ARG 9 -10.637 3.253 -11.304 77 HD3 ARG 9 1HD ARG 9 -11.057 4.194 -9.869 78 HE ARG 9 HE ARG 9 -10.598 6.054 -11.859 79 HH11 ARG 9 1HH1 ARG 9 -12.803 3.324 -11.533 80 HH12 ARG 9 2HH1 ARG 9 -14.071 4.099 -12.432 81 HH21 ARG 9 1HH2 ARG 9 -12.249 7.031 -13.038 82 HH22 ARG 9 2HH2 ARG 9 -13.752 6.193 -13.295 83 H LEU 10 H LEU 10 -6.031 2.574 -13.523 84 HA LEU 10 HA LEU 10 -5.554 4.235 -15.772 85 HB2 LEU 10 2HB LEU 10 -3.935 2.766 -14.192 86 HB3 LEU 10 1HB LEU 10 -4.146 1.570 -15.446 87 HG LEU 10 HG LEU 10 -2.055 2.816 -15.750 88 HD11 LEU 10 1HD1 LEU 10 -4.012 3.577 -17.921 89 HD12 LEU 10 2HD1 LEU 10 -3.220 2.009 -17.757 90 HD13 LEU 10 3HD1 LEU 10 -2.257 3.449 -18.067 91 HD21 LEU 10 1HD2 LEU 10 -3.765 5.312 -15.986 92 HD22 LEU 10 2HD2 LEU 10 -2.020 5.217 -16.236 93 HD23 LEU 10 3HD2 LEU 10 -2.697 4.908 -14.639 94 H ARG 11 H ARG 11 -6.415 0.749 -15.502 95 HA ARG 11 HA ARG 11 -6.661 0.297 -18.300 96 HB2 ARG 11 2HB ARG 11 -7.755 -1.867 -17.680 97 HB3 ARG 11 1HB ARG 11 -6.215 -1.607 -16.873 98 HG2 ARG 11 2HG ARG 11 -7.189 -1.308 -14.776 99 HG3 ARG 11 1HG ARG 11 -8.750 -0.833 -15.442 100 HD2 ARG 11 2HD ARG 11 -7.656 -3.653 -15.689 101 HD3 ARG 11 1HD ARG 11 -8.648 -3.116 -14.324 102 HE ARG 11 HE ARG 11 -10.080 -2.381 -16.527 103 HH11 ARG 11 1HH1 ARG 11 -8.807 -5.477 -15.473 104 HH12 ARG 11 2HH1 ARG 11 -10.152 -6.368 -16.102 105 HH21 ARG 11 1HH2 ARG 11 -11.817 -3.544 -17.333 106 HH22 ARG 11 2HH2 ARG 11 -11.855 -5.268 -17.148 107 H GLU 12 H GLU 12 -8.926 1.520 -15.950 108 HA GLU 12 HA GLU 12 -11.312 1.015 -17.489 109 HB2 GLU 12 2HB GLU 12 -10.827 2.848 -15.096 110 HB3 GLU 12 1HB GLU 12 -12.411 2.511 -15.796 111 HG2 GLU 12 2HG GLU 12 -10.563 0.509 -14.464 112 HG3 GLU 12 1HG GLU 12 -12.040 1.190 -13.785 113 H GLU 13 H GLU 13 -9.566 4.023 -16.611 114 HA GLU 13 HA GLU 13 -11.142 5.639 -18.402 115 HB2 GLU 13 2HB GLU 13 -8.729 6.341 -16.679 116 HB3 GLU 13 1HB GLU 13 -9.764 7.512 -17.494 117 HG2 GLU 13 2HG GLU 13 -11.695 6.771 -16.144 118 HG3 GLU 13 1HG GLU 13 -10.681 5.569 -15.340 119 H PHE 14 H PHE 14 -8.211 3.885 -18.684 120 HA PHE 14 HA PHE 14 -7.827 4.913 -21.440 121 HB2 PHE 14 2HB PHE 14 -5.548 3.944 -19.626 122 HB3 PHE 14 1HB PHE 14 -5.400 4.617 -21.243 123 HD1 PHE 14 HD1 PHE 14 -5.650 7.071 -21.605 124 HD2 PHE 14 HD2 PHE 14 -5.778 5.377 -17.679 125 HE1 PHE 14 HE1 PHE 14 -5.262 9.295 -20.626 126 HE2 PHE 14 HE2 PHE 14 -5.392 7.609 -16.707 127 HZ PHE 14 HZ PHE 14 -5.135 9.567 -18.183 128 H ASN 15 H ASN 15 -8.874 3.198 -22.463 129 HA ASN 15 HA ASN 15 -8.686 0.484 -21.508 130 HB2 ASN 15 2HB ASN 15 -10.147 -0.085 -23.453 131 HB3 ASN 15 1HB ASN 15 -10.812 1.200 -22.457 132 HD21 ASN 15 1HD2 ASN 15 -10.751 3.367 -23.275 133 HD22 ASN 15 2HD2 ASN 15 -10.669 3.669 -24.975 134 H ILE 16 H ILE 16 -6.411 0.310 -21.546 135 HA ILE 16 HA ILE 16 -5.136 -0.115 -24.205 136 HB ILE 16 HB ILE 16 -2.988 0.585 -23.233 137 HG12 ILE 16 2HG1 ILE 16 -4.503 1.260 -20.654 138 HG13 ILE 16 1HG1 ILE 16 -3.488 -0.160 -20.859 139 HG21 ILE 16 1HG2 ILE 16 -5.137 2.684 -22.750 140 HG22 ILE 16 2HG2 ILE 16 -4.345 2.336 -24.290 141 HG23 ILE 16 3HG2 ILE 16 -3.412 3.001 -22.949 142 HD11 ILE 16 1HD1 ILE 16 -2.221 1.414 -19.682 143 HD12 ILE 16 2HD1 ILE 16 -2.653 2.708 -20.786 144 HD13 ILE 16 3HD1 ILE 16 -1.578 1.420 -21.324 145 H ASN 17 H ASN 17 -2.933 -1.403 -23.690 146 HA ASN 17 HA ASN 17 -3.600 -3.969 -22.568 147 HB2 ASN 17 2HB ASN 17 -0.995 -2.828 -23.667 148 HB3 ASN 17 1HB ASN 17 -1.181 -4.497 -23.123 149 HD21 ASN 17 1HD2 ASN 17 -0.684 -5.255 -25.198 150 HD22 ASN 17 2HD2 ASN 17 -1.799 -5.160 -26.511 151 HA PRO 18 HA PRO 18 -2.226 -3.193 -18.311 152 HB2 PRO 18 2HB PRO 18 -1.471 -5.794 -17.635 153 HB3 PRO 18 1HB PRO 18 -3.148 -5.226 -17.671 154 HG2 PRO 18 2HG PRO 18 -1.602 -6.689 -19.822 155 HG3 PRO 18 1HG PRO 18 -3.230 -7.029 -19.190 156 HD2 PRO 18 2HD PRO 18 -2.942 -5.710 -21.483 157 HD3 PRO 18 1HD PRO 18 -4.187 -5.192 -20.322 158 H GLU 19 H GLU 19 -0.206 -4.590 -20.766 159 HA GLU 19 HA GLU 19 2.292 -4.619 -19.438 160 HB2 GLU 19 2HB GLU 19 1.807 -4.248 -22.424 161 HB3 GLU 19 1HB GLU 19 3.271 -4.862 -21.650 162 HG2 GLU 19 2HG GLU 19 0.562 -6.231 -21.815 163 HG3 GLU 19 1HG GLU 19 2.047 -6.689 -22.649 164 H GLU 20 H GLU 20 0.600 -2.171 -21.358 165 HA GLU 20 HA GLU 20 2.689 -0.213 -21.319 166 HB2 GLU 20 2HB GLU 20 -0.291 0.251 -21.758 167 HB3 GLU 20 1HB GLU 20 1.029 1.315 -22.247 168 HG2 GLU 20 2HG GLU 20 0.339 -1.411 -23.367 169 HG3 GLU 20 1HG GLU 20 0.175 0.143 -24.173 170 H ALA 21 H ALA 21 -0.227 -0.821 -19.418 171 HA ALA 21 HA ALA 21 -0.164 1.390 -17.674 172 HB1 ALA 21 1HB ALA 21 -2.140 -0.054 -17.933 173 HB2 ALA 21 2HB ALA 21 -1.660 0.048 -16.236 174 HB3 ALA 21 3HB ALA 21 -1.273 -1.394 -17.180 175 H ARG 22 H ARG 22 1.520 -1.687 -17.626 176 HA ARG 22 HA ARG 22 2.495 -1.762 -14.980 177 HB2 ARG 22 2HB ARG 22 2.490 -3.708 -16.469 178 HB3 ARG 22 1HB ARG 22 3.618 -2.926 -17.560 179 HG2 ARG 22 2HG ARG 22 4.764 -4.623 -16.266 180 HG3 ARG 22 1HG ARG 22 5.382 -3.034 -15.818 181 HD2 ARG 22 2HD ARG 22 4.087 -3.055 -13.767 182 HD3 ARG 22 1HD ARG 22 3.289 -4.562 -14.241 183 HE ARG 22 HE ARG 22 6.216 -4.539 -13.960 184 HH11 ARG 22 1HH1 ARG 22 3.114 -5.583 -12.660 185 HH12 ARG 22 2HH1 ARG 22 3.824 -6.758 -11.601 186 HH21 ARG 22 1HH2 ARG 22 7.123 -6.109 -12.571 187 HH22 ARG 22 2HH2 ARG 22 6.086 -7.071 -11.569 188 H GLU 23 H GLU 23 3.943 -0.445 -17.970 189 HA GLU 23 HA GLU 23 6.291 0.528 -16.520 190 HB2 GLU 23 2HB GLU 23 5.646 0.740 -19.494 191 HB3 GLU 23 1HB GLU 23 7.183 1.151 -18.726 192 HG2 GLU 23 2HG GLU 23 7.228 -1.304 -17.911 193 HG3 GLU 23 1HG GLU 23 5.940 -1.596 -19.080 194 H ALA 24 H ALA 24 3.241 1.722 -17.552 195 HA ALA 24 HA ALA 24 3.802 4.522 -17.579 196 HB1 ALA 24 1HB ALA 24 1.758 3.628 -18.628 197 HB2 ALA 24 2HB ALA 24 1.357 4.839 -17.409 198 HB3 ALA 24 3HB ALA 24 1.150 3.121 -17.050 199 H VAL 25 H VAL 25 2.671 2.251 -15.082 200 HA VAL 25 HA VAL 25 2.505 4.228 -13.003 201 HB VAL 25 HB VAL 25 1.069 2.174 -13.016 202 HG11 VAL 25 1HG1 VAL 25 3.603 0.676 -12.255 203 HG12 VAL 25 2HG1 VAL 25 2.702 0.500 -13.761 204 HG13 VAL 25 3HG1 VAL 25 1.965 0.007 -12.237 205 HG21 VAL 25 1HG2 VAL 25 2.772 2.457 -10.510 206 HG22 VAL 25 2HG2 VAL 25 1.158 1.743 -10.592 207 HG23 VAL 25 3HG2 VAL 25 1.383 3.458 -10.933 208 H GLU 26 H GLU 26 5.014 2.091 -14.194 209 HA GLU 26 HA GLU 26 6.801 2.153 -11.995 210 HB2 GLU 26 2HB GLU 26 6.865 0.761 -14.266 211 HB3 GLU 26 1HB GLU 26 7.809 2.113 -14.867 212 HG2 GLU 26 2HG GLU 26 8.507 0.254 -12.572 213 HG3 GLU 26 1HG GLU 26 9.272 0.307 -14.151 214 H LYS 27 H LYS 27 6.670 4.131 -14.955 215 HA LYS 27 HA LYS 27 8.668 6.016 -14.214 216 HB2 LYS 27 2HB LYS 27 6.462 6.093 -16.306 217 HB3 LYS 27 1HB LYS 27 7.686 7.352 -16.164 218 HG2 LYS 27 2HG LYS 27 8.279 4.416 -16.711 219 HG3 LYS 27 1HG LYS 27 8.160 5.664 -17.959 220 HD2 LYS 27 2HD LYS 27 10.177 5.654 -15.663 221 HD3 LYS 27 1HD LYS 27 10.517 5.146 -17.321 222 HE2 LYS 27 2HE LYS 27 10.109 7.407 -18.147 223 HE3 LYS 27 1HE LYS 27 9.589 7.940 -16.548 224 HZ1 LYS 27 1HZ LYS 27 11.804 7.548 -15.710 225 HZ2 LYS 27 2HZ LYS 27 11.858 8.604 -17.029 226 HZ3 LYS 27 3HZ LYS 27 12.312 6.992 -17.227 227 H ALA 28 H ALA 28 5.184 5.905 -13.724 228 HA ALA 28 HA ALA 28 4.884 8.606 -12.761 229 HB1 ALA 28 1HB ALA 28 3.013 7.354 -13.764 230 HB2 ALA 28 2HB ALA 28 2.625 7.894 -12.132 231 HB3 ALA 28 3HB ALA 28 3.054 6.206 -12.425 232 H GLY 29 H GLY 29 5.824 5.582 -11.380 233 HA2 GLY 29 2HA GLY 29 6.690 5.001 -9.343 234 HA3 GLY 29 1HA GLY 29 6.507 6.666 -8.797 235 H GLY 30 H GLY 30 4.544 7.316 -7.876 236 HA2 GLY 30 2HA GLY 30 2.454 5.290 -7.318 237 HA3 GLY 30 1HA GLY 30 3.212 6.163 -5.985 238 H ASN 31 H ASN 31 2.254 7.259 -9.222 239 HA ASN 31 HA ASN 31 0.385 9.260 -8.088 240 HB2 ASN 31 2HB ASN 31 2.677 9.880 -10.014 241 HB3 ASN 31 1HB ASN 31 1.430 11.022 -9.548 242 HD21 ASN 31 1HD2 ASN 31 4.394 11.001 -9.249 243 HD22 ASN 31 2HD2 ASN 31 4.677 11.321 -7.576 244 H GLU 32 H GLU 32 -1.494 8.609 -9.054 245 HA GLU 32 HA GLU 32 -1.806 7.375 -11.590 246 HB2 GLU 32 2HB GLU 32 -3.864 9.041 -10.079 247 HB3 GLU 32 1HB GLU 32 -4.210 7.862 -11.348 248 HG2 GLU 32 2HG GLU 32 -3.352 6.062 -9.874 249 HG3 GLU 32 1HG GLU 32 -3.039 7.258 -8.617 250 H GLU 33 H GLU 33 -2.008 10.717 -10.537 251 HA GLU 33 HA GLU 33 -2.963 11.958 -12.882 252 HB2 GLU 33 2HB GLU 33 -2.993 12.924 -10.569 253 HB3 GLU 33 1HB GLU 33 -1.255 13.124 -10.644 254 HG2 GLU 33 2HG GLU 33 -2.272 15.256 -11.020 255 HG3 GLU 33 1HG GLU 33 -1.559 14.718 -12.544 256 H GLU 34 H GLU 34 0.243 10.919 -11.932 257 HA GLU 34 HA GLU 34 1.639 12.432 -13.973 258 HB2 GLU 34 2HB GLU 34 2.700 11.870 -11.774 259 HB3 GLU 34 1HB GLU 34 2.696 10.172 -12.226 260 HG2 GLU 34 2HG GLU 34 4.909 11.202 -12.543 261 HG3 GLU 34 1HG GLU 34 4.241 10.621 -14.073 262 H ALA 35 H ALA 35 0.364 9.184 -13.564 263 HA ALA 35 HA ALA 35 1.788 7.859 -15.613 264 HB1 ALA 35 1HB ALA 35 0.113 6.084 -15.361 265 HB2 ALA 35 2HB ALA 35 -0.924 7.173 -14.437 266 HB3 ALA 35 3HB ALA 35 0.640 6.679 -13.784 267 H ARG 36 H ARG 36 -0.899 10.045 -15.795 268 HA ARG 36 HA ARG 36 -2.505 8.949 -17.766 269 HB2 ARG 36 2HB ARG 36 -3.545 11.131 -17.996 270 HB3 ARG 36 1HB ARG 36 -3.188 10.810 -16.301 271 HG2 ARG 36 2HG ARG 36 -1.206 12.292 -16.448 272 HG3 ARG 36 1HG ARG 36 -1.581 12.609 -18.145 273 HD2 ARG 36 2HD ARG 36 -3.296 13.351 -15.743 274 HD3 ARG 36 1HD ARG 36 -2.371 14.453 -16.770 275 HE ARG 36 HE ARG 36 -3.924 13.438 -18.617 276 HH11 ARG 36 1HH1 ARG 36 -4.902 14.405 -15.376 277 HH12 ARG 36 2HH1 ARG 36 -6.544 14.708 -15.847 278 HH21 ARG 36 1HH2 ARG 36 -6.095 13.867 -19.194 279 HH22 ARG 36 2HH2 ARG 36 -7.208 14.414 -17.977 280 H ARG 37 H ARG 37 0.347 11.082 -18.318 281 HA ARG 37 HA ARG 37 -0.125 11.002 -21.222 282 HB2 ARG 37 2HB ARG 37 1.617 12.638 -21.516 283 HB3 ARG 37 1HB ARG 37 0.595 13.186 -20.202 284 HG2 ARG 37 2HG ARG 37 3.239 11.769 -19.709 285 HG3 ARG 37 1HG ARG 37 3.127 13.513 -19.942 286 HD2 ARG 37 2HD ARG 37 1.768 11.919 -17.739 287 HD3 ARG 37 1HD ARG 37 3.201 12.942 -17.557 288 HE ARG 37 HE ARG 37 1.026 14.410 -18.659 289 HH11 ARG 37 1HH1 ARG 37 2.274 13.218 -15.602 290 HH12 ARG 37 2HH1 ARG 37 1.350 14.353 -14.669 291 HH21 ARG 37 1HH2 ARG 37 -0.127 15.896 -17.417 292 HH22 ARG 37 2HH2 ARG 37 -0.013 15.858 -15.686 293 H ILE 38 H ILE 38 1.708 9.369 -18.847 294 HA ILE 38 HA ILE 38 3.795 8.350 -20.569 295 HB ILE 38 HB ILE 38 2.891 7.215 -17.875 296 HG12 ILE 38 2HG1 ILE 38 4.960 9.426 -18.357 297 HG13 ILE 38 1HG1 ILE 38 3.353 9.689 -17.689 298 HG21 ILE 38 1HG2 ILE 38 5.591 7.080 -19.280 299 HG22 ILE 38 2HG2 ILE 38 4.441 5.751 -19.122 300 HG23 ILE 38 3HG2 ILE 38 5.225 6.410 -17.687 301 HD11 ILE 38 1HD1 ILE 38 3.963 8.319 -15.739 302 HD12 ILE 38 2HD1 ILE 38 5.020 9.712 -15.951 303 HD13 ILE 38 3HD1 ILE 38 5.583 8.108 -16.409 304 H VAL 39 H VAL 39 0.522 7.558 -19.857 305 HA VAL 39 HA VAL 39 0.287 4.883 -20.667 306 HB VAL 39 HB VAL 39 -1.690 7.202 -20.886 307 HG11 VAL 39 1HG1 VAL 39 -2.194 4.256 -21.390 308 HG12 VAL 39 2HG1 VAL 39 -2.412 5.589 -22.518 309 HG13 VAL 39 3HG1 VAL 39 -3.474 5.438 -21.120 310 HG21 VAL 39 1HG2 VAL 39 -1.109 6.668 -18.583 311 HG22 VAL 39 2HG2 VAL 39 -1.463 4.963 -18.844 312 HG23 VAL 39 3HG2 VAL 39 -2.764 6.154 -18.904 313 H LYS 40 H LYS 40 0.873 4.049 -22.560 314 HA LYS 40 HA LYS 40 0.695 5.565 -25.072 315 HB2 LYS 40 2HB LYS 40 1.906 2.833 -24.459 316 HB3 LYS 40 1HB LYS 40 1.871 3.577 -26.058 317 HG2 LYS 40 2HG LYS 40 3.247 5.449 -25.217 318 HG3 LYS 40 1HG LYS 40 3.315 4.684 -23.624 319 HD2 LYS 40 2HD LYS 40 4.460 2.721 -24.638 320 HD3 LYS 40 1HD LYS 40 4.402 3.502 -26.220 321 HE2 LYS 40 2HE LYS 40 6.620 3.751 -25.201 322 HE3 LYS 40 1HE LYS 40 5.835 5.322 -25.364 323 HZ1 LYS 40 1HZ LYS 40 6.935 5.016 -23.218 324 HZ2 LYS 40 2HZ LYS 40 5.914 3.718 -22.867 325 HZ3 LYS 40 3HZ LYS 40 5.275 5.274 -23.038 326 H LYS 41 H LYS 41 -1.215 5.471 -26.070 327 HA LYS 41 HA LYS 41 -3.123 3.329 -25.790 328 HB2 LYS 41 2HB LYS 41 -3.897 5.635 -26.203 329 HB3 LYS 41 1HB LYS 41 -3.014 5.693 -27.725 330 HG2 LYS 41 2HG LYS 41 -4.483 3.889 -28.622 331 HG3 LYS 41 1HG LYS 41 -5.384 3.893 -27.105 332 HD2 LYS 41 2HD LYS 41 -6.599 5.179 -28.795 333 HD3 LYS 41 1HD LYS 41 -6.050 6.251 -27.507 334 HE2 LYS 41 2HE LYS 41 -4.224 7.068 -28.913 335 HE3 LYS 41 1HE LYS 41 -4.643 5.912 -30.182 336 HZ1 LYS 41 1HZ LYS 41 -5.514 8.080 -30.697 337 HZ2 LYS 41 2HZ LYS 41 -6.338 8.153 -29.225 338 HZ3 LYS 41 3HZ LYS 41 -6.798 7.021 -30.394 339 H ARG 42 H ARG 42 -2.772 1.392 -26.736 340 HA ARG 42 HA ARG 42 -0.984 0.988 -28.957 341 HB2 ARG 42 2HB ARG 42 -2.952 -0.940 -27.657 342 HB3 ARG 42 1HB ARG 42 -1.689 -1.389 -28.797 343 HG2 ARG 42 2HG ARG 42 -1.243 -0.228 -26.021 344 HG3 ARG 42 1HG ARG 42 -1.067 -1.923 -26.479 345 HD2 ARG 42 2HD ARG 42 1.134 -1.023 -26.419 346 HD3 ARG 42 1HD ARG 42 0.724 -1.176 -28.128 347 HE ARG 42 HE ARG 42 0.105 1.433 -27.188 348 HH11 ARG 42 1HH1 ARG 42 2.965 -0.494 -27.846 349 HH12 ARG 42 2HH1 ARG 42 3.885 0.865 -28.402 350 HH21 ARG 42 1HH2 ARG 42 1.322 3.185 -27.973 351 HH22 ARG 42 2HH2 ARG 42 2.963 2.927 -28.469 352 H LEU 43 H LEU 43 -1.678 2.049 -30.728 353 HA LEU 43 HA LEU 43 -3.948 1.035 -32.231 354 HB2 LEU 43 2HB LEU 43 -4.693 3.016 -30.673 355 HB3 LEU 43 1HB LEU 43 -3.783 4.042 -31.760 356 HG LEU 43 HG LEU 43 -6.161 2.313 -32.586 357 HD11 LEU 43 1HD1 LEU 43 -6.859 4.095 -31.059 358 HD12 LEU 43 2HD1 LEU 43 -7.449 4.395 -32.688 359 HD13 LEU 43 3HD1 LEU 43 -6.067 5.307 -32.073 360 HD21 LEU 43 1HD2 LEU 43 -6.185 3.624 -34.670 361 HD22 LEU 43 2HD2 LEU 43 -4.672 2.738 -34.495 362 HD23 LEU 43 3HD2 LEU 43 -4.719 4.473 -34.169 Start of MODEL 18 1 HA ARG 1 HA ARG 1 3.951 0.836 -4.306 2 HB2 ARG 1 2HB ARG 1 2.953 2.712 -2.130 3 HB3 ARG 1 1HB ARG 1 2.496 1.013 -2.214 4 HG2 ARG 1 2HG ARG 1 4.820 0.323 -1.924 5 HG3 ARG 1 1HG ARG 1 5.356 2.003 -1.946 6 HD2 ARG 1 2HD ARG 1 3.480 0.839 0.140 7 HD3 ARG 1 1HD ARG 1 5.228 0.996 0.347 8 HE ARG 1 HE ARG 1 4.131 3.493 -0.383 9 HH11 ARG 1 1HH1 ARG 1 4.166 1.343 2.399 10 HH12 ARG 1 2HH1 ARG 1 4.068 2.645 3.541 11 HH21 ARG 1 1HH2 ARG 1 4.036 5.164 1.115 12 HH22 ARG 1 2HH2 ARG 1 3.985 4.812 2.811 13 H LYS 2 H LYS 2 1.508 0.171 -3.793 14 HA LYS 2 HA LYS 2 -0.549 -0.174 -4.613 15 HB2 LYS 2 2HB LYS 2 -0.530 2.855 -4.841 16 HB3 LYS 2 1HB LYS 2 -1.969 1.886 -5.132 17 HG2 LYS 2 2HG LYS 2 -0.431 1.991 -2.509 18 HG3 LYS 2 1HG LYS 2 -1.922 2.876 -2.855 19 HD2 LYS 2 2HD LYS 2 -3.107 0.707 -3.192 20 HD3 LYS 2 1HD LYS 2 -1.619 -0.157 -2.801 21 HE2 LYS 2 2HE LYS 2 -1.652 0.794 -0.531 22 HE3 LYS 2 1HE LYS 2 -3.120 1.697 -0.923 23 HZ1 LYS 2 1HZ LYS 2 -3.575 -0.347 0.293 24 HZ2 LYS 2 2HZ LYS 2 -2.884 -1.259 -0.950 25 HZ3 LYS 2 3HZ LYS 2 -4.285 -0.363 -1.240 26 H TRP 3 H TRP 3 1.279 -0.878 -6.295 27 HA TRP 3 HA TRP 3 1.082 0.219 -8.968 28 HB2 TRP 3 2HB TRP 3 2.611 -1.730 -9.522 29 HB3 TRP 3 1HB TRP 3 3.216 -0.709 -8.218 30 HD1 TRP 3 HD1 TRP 3 1.798 -4.268 -8.827 31 HE1 TRP 3 HE1 TRP 3 2.254 -5.711 -6.751 32 HE3 TRP 3 HE3 TRP 3 3.648 -0.666 -5.681 33 HZ2 TRP 3 HZ2 TRP 3 3.276 -5.395 -4.149 34 HZ3 TRP 3 HZ3 TRP 3 4.342 -1.326 -3.416 35 HH2 TRP 3 HH2 TRP 3 4.159 -3.644 -2.660 36 H GLU 4 H GLU 4 -1.397 -0.910 -7.705 37 HA GLU 4 HA GLU 4 -2.333 -2.653 -9.833 38 HB2 GLU 4 2HB GLU 4 -1.474 -4.134 -7.955 39 HB3 GLU 4 1HB GLU 4 -2.627 -3.370 -6.874 40 HG2 GLU 4 2HG GLU 4 -3.552 -5.471 -7.508 41 HG3 GLU 4 1HG GLU 4 -4.477 -4.233 -8.357 42 H GLU 5 H GLU 5 -3.009 -0.827 -6.854 43 HA GLU 5 HA GLU 5 -5.765 -0.293 -7.248 44 HB2 GLU 5 2HB GLU 5 -4.631 0.052 -5.079 45 HB3 GLU 5 1HB GLU 5 -3.618 1.304 -5.776 46 HG2 GLU 5 2HG GLU 5 -5.299 2.380 -4.457 47 HG3 GLU 5 1HG GLU 5 -5.679 2.690 -6.151 48 H ILE 6 H ILE 6 -2.860 1.577 -7.982 49 HA ILE 6 HA ILE 6 -4.146 3.767 -9.281 50 HB ILE 6 HB ILE 6 -1.243 2.826 -9.265 51 HG12 ILE 6 2HG1 ILE 6 -2.565 5.058 -7.635 52 HG13 ILE 6 1HG1 ILE 6 -2.228 3.440 -7.023 53 HG21 ILE 6 1HG2 ILE 6 -0.597 5.088 -10.015 54 HG22 ILE 6 2HG2 ILE 6 -2.294 5.523 -10.186 55 HG23 ILE 6 3HG2 ILE 6 -1.601 4.275 -11.214 56 HD11 ILE 6 1HD1 ILE 6 -0.175 5.437 -7.951 57 HD12 ILE 6 2HD1 ILE 6 0.162 3.820 -7.325 58 HD13 ILE 6 3HD1 ILE 6 -0.571 5.038 -6.280 59 H ALA 7 H ALA 7 -2.291 0.943 -10.432 60 HA ALA 7 HA ALA 7 -2.410 1.432 -13.211 61 HB1 ALA 7 1HB ALA 7 -0.756 -0.073 -12.185 62 HB2 ALA 7 2HB ALA 7 -1.646 -0.889 -13.471 63 HB3 ALA 7 3HB ALA 7 -2.034 -1.222 -11.781 64 H GLU 8 H GLU 8 -4.720 0.022 -11.026 65 HA GLU 8 HA GLU 8 -6.426 -1.455 -12.648 66 HB2 GLU 8 2HB GLU 8 -6.730 -1.362 -10.235 67 HB3 GLU 8 1HB GLU 8 -7.049 0.365 -10.282 68 HG2 GLU 8 2HG GLU 8 -9.172 -0.156 -11.583 69 HG3 GLU 8 1HG GLU 8 -8.860 -1.866 -11.281 70 H ARG 9 H ARG 9 -6.804 1.988 -11.771 71 HA ARG 9 HA ARG 9 -8.986 2.399 -13.559 72 HB2 ARG 9 2HB ARG 9 -7.379 4.252 -11.775 73 HB3 ARG 9 1HB ARG 9 -8.586 4.902 -12.889 74 HG2 ARG 9 2HG ARG 9 -10.341 3.559 -11.824 75 HG3 ARG 9 1HG ARG 9 -9.156 2.802 -10.763 76 HD2 ARG 9 2HD ARG 9 -9.841 5.766 -10.758 77 HD3 ARG 9 1HD ARG 9 -10.491 4.578 -9.627 78 HE ARG 9 HE ARG 9 -8.022 5.912 -9.422 79 HH11 ARG 9 1HH1 ARG 9 -9.280 2.661 -8.945 80 HH12 ARG 9 2HH1 ARG 9 -8.075 2.249 -7.768 81 HH21 ARG 9 1HH2 ARG 9 -6.499 5.365 -7.849 82 HH22 ARG 9 2HH2 ARG 9 -6.530 3.787 -7.115 83 H LEU 10 H LEU 10 -5.535 3.317 -13.684 84 HA LEU 10 HA LEU 10 -5.435 4.884 -15.961 85 HB2 LEU 10 2HB LEU 10 -3.477 2.734 -15.087 86 HB3 LEU 10 1HB LEU 10 -3.109 3.974 -16.282 87 HG LEU 10 HG LEU 10 -3.802 4.545 -13.377 88 HD11 LEU 10 1HD1 LEU 10 -1.078 4.456 -14.698 89 HD12 LEU 10 2HD1 LEU 10 -1.698 3.331 -13.487 90 HD13 LEU 10 3HD1 LEU 10 -1.413 5.014 -13.056 91 HD21 LEU 10 1HD2 LEU 10 -4.360 6.428 -14.866 92 HD22 LEU 10 2HD2 LEU 10 -2.724 6.408 -15.530 93 HD23 LEU 10 3HD2 LEU 10 -2.988 6.825 -13.836 94 H ARG 11 H ARG 11 -5.356 1.368 -15.759 95 HA ARG 11 HA ARG 11 -5.008 0.747 -18.484 96 HB2 ARG 11 2HB ARG 11 -4.441 -0.791 -16.688 97 HB3 ARG 11 1HB ARG 11 -6.102 -0.853 -16.139 98 HG2 ARG 11 2HG ARG 11 -5.493 -1.815 -18.929 99 HG3 ARG 11 1HG ARG 11 -5.008 -2.822 -17.567 100 HD2 ARG 11 2HD ARG 11 -7.811 -1.901 -18.247 101 HD3 ARG 11 1HD ARG 11 -7.181 -3.552 -18.317 102 HE ARG 11 HE ARG 11 -6.877 -2.583 -15.691 103 HH11 ARG 11 1HH1 ARG 11 -9.457 -3.573 -17.857 104 HH12 ARG 11 2HH1 ARG 11 -10.534 -3.983 -16.563 105 HH21 ARG 11 1HH2 ARG 11 -8.293 -3.107 -14.024 106 HH22 ARG 11 2HH2 ARG 11 -9.872 -3.735 -14.387 107 H GLU 12 H GLU 12 -7.890 0.938 -16.443 108 HA GLU 12 HA GLU 12 -9.750 0.209 -18.538 109 HB2 GLU 12 2HB GLU 12 -9.979 -0.381 -16.079 110 HB3 GLU 12 1HB GLU 12 -10.288 1.314 -15.740 111 HG2 GLU 12 2HG GLU 12 -12.385 0.132 -15.764 112 HG3 GLU 12 1HG GLU 12 -12.328 1.196 -17.171 113 H GLU 13 H GLU 13 -8.240 3.123 -17.630 114 HA GLU 13 HA GLU 13 -10.426 4.971 -18.041 115 HB2 GLU 13 2HB GLU 13 -8.614 5.378 -16.383 116 HB3 GLU 13 1HB GLU 13 -7.448 5.475 -17.694 117 HG2 GLU 13 2HG GLU 13 -8.650 7.477 -18.567 118 HG3 GLU 13 1HG GLU 13 -9.734 7.401 -17.175 119 H PHE 14 H PHE 14 -7.256 4.502 -19.633 120 HA PHE 14 HA PHE 14 -8.076 6.132 -21.920 121 HB2 PHE 14 2HB PHE 14 -5.804 6.330 -20.746 122 HB3 PHE 14 1HB PHE 14 -5.380 4.776 -21.455 123 HD1 PHE 14 HD1 PHE 14 -3.794 5.153 -23.174 124 HD2 PHE 14 HD2 PHE 14 -7.114 7.827 -22.829 125 HE1 PHE 14 HE1 PHE 14 -3.061 6.331 -25.202 126 HE2 PHE 14 HE2 PHE 14 -6.369 9.000 -24.854 127 HZ PHE 14 HZ PHE 14 -4.345 8.257 -26.038 128 H ASN 15 H ASN 15 -8.557 3.008 -21.106 129 HA ASN 15 HA ASN 15 -8.995 1.046 -22.082 130 HB2 ASN 15 2HB ASN 15 -10.613 2.402 -23.353 131 HB3 ASN 15 1HB ASN 15 -9.391 2.767 -24.566 132 HD21 ASN 15 1HD2 ASN 15 -8.891 1.209 -26.100 133 HD22 ASN 15 2HD2 ASN 15 -9.818 -0.230 -26.321 134 H ILE 16 H ILE 16 -6.665 0.968 -21.515 135 HA ILE 16 HA ILE 16 -5.011 0.085 -23.818 136 HB ILE 16 HB ILE 16 -2.992 0.653 -22.462 137 HG12 ILE 16 2HG1 ILE 16 -4.953 1.920 -20.477 138 HG13 ILE 16 1HG1 ILE 16 -3.981 0.484 -20.180 139 HG21 ILE 16 1HG2 ILE 16 -3.070 3.105 -22.713 140 HG22 ILE 16 2HG2 ILE 16 -4.829 3.043 -22.855 141 HG23 ILE 16 3HG2 ILE 16 -3.815 2.298 -24.091 142 HD11 ILE 16 1HD1 ILE 16 -2.943 3.287 -20.582 143 HD12 ILE 16 2HD1 ILE 16 -1.945 1.854 -20.326 144 HD13 ILE 16 3HD1 ILE 16 -3.045 2.401 -19.063 145 H ASN 17 H ASN 17 -3.288 -1.508 -22.965 146 HA ASN 17 HA ASN 17 -4.622 -3.721 -21.645 147 HB2 ASN 17 2HB ASN 17 -1.724 -3.519 -22.580 148 HB3 ASN 17 1HB ASN 17 -2.596 -4.994 -22.183 149 HD21 ASN 17 1HD2 ASN 17 -1.224 -4.341 -24.628 150 HD22 ASN 17 2HD2 ASN 17 -2.399 -4.394 -25.896 151 HA PRO 18 HA PRO 18 -2.958 -3.252 -17.440 152 HB2 PRO 18 2HB PRO 18 -2.047 -6.123 -17.696 153 HB3 PRO 18 1HB PRO 18 -2.979 -5.352 -16.401 154 HG2 PRO 18 2HG PRO 18 -4.207 -6.912 -18.187 155 HG3 PRO 18 1HG PRO 18 -4.981 -5.411 -17.630 156 HD2 PRO 18 2HD PRO 18 -3.568 -5.968 -20.233 157 HD3 PRO 18 1HD PRO 18 -5.029 -5.006 -19.928 158 H GLU 19 H GLU 19 -0.947 -4.888 -19.849 159 HA GLU 19 HA GLU 19 1.578 -4.633 -18.623 160 HB2 GLU 19 2HB GLU 19 2.505 -5.175 -20.822 161 HB3 GLU 19 1HB GLU 19 1.082 -6.163 -20.518 162 HG2 GLU 19 2HG GLU 19 -0.253 -4.568 -21.928 163 HG3 GLU 19 1HG GLU 19 1.243 -3.730 -22.325 164 H GLU 20 H GLU 20 -0.319 -2.362 -20.506 165 HA GLU 20 HA GLU 20 1.754 -0.455 -21.091 166 HB2 GLU 20 2HB GLU 20 -1.241 0.113 -20.978 167 HB3 GLU 20 1HB GLU 20 -0.028 0.950 -21.938 168 HG2 GLU 20 2HG GLU 20 -0.737 -1.952 -22.402 169 HG3 GLU 20 1HG GLU 20 -1.651 -0.642 -23.136 170 H ALA 21 H ALA 21 -0.939 -0.652 -18.781 171 HA ALA 21 HA ALA 21 -0.553 1.829 -17.473 172 HB1 ALA 21 1HB ALA 21 -2.032 -0.635 -16.499 173 HB2 ALA 21 2HB ALA 21 -2.710 0.650 -17.499 174 HB3 ALA 21 3HB ALA 21 -2.197 0.999 -15.848 175 H ARG 22 H ARG 22 0.713 -1.400 -16.865 176 HA ARG 22 HA ARG 22 1.727 -0.931 -14.241 177 HB2 ARG 22 2HB ARG 22 2.288 -3.068 -16.314 178 HB3 ARG 22 1HB ARG 22 3.207 -2.998 -14.813 179 HG2 ARG 22 2HG ARG 22 1.083 -3.208 -13.525 180 HG3 ARG 22 1HG ARG 22 0.196 -3.365 -15.044 181 HD2 ARG 22 2HD ARG 22 0.669 -5.566 -13.936 182 HD3 ARG 22 1HD ARG 22 1.348 -5.440 -15.562 183 HE ARG 22 HE ARG 22 3.527 -4.929 -14.489 184 HH11 ARG 22 1HH1 ARG 22 1.181 -6.673 -12.546 185 HH12 ARG 22 2HH1 ARG 22 2.394 -7.393 -11.546 186 HH21 ARG 22 1HH2 ARG 22 5.069 -5.862 -13.175 187 HH22 ARG 22 2HH2 ARG 22 4.596 -6.940 -11.900 188 H GLU 23 H GLU 23 3.181 -0.662 -17.485 189 HA GLU 23 HA GLU 23 5.742 0.215 -16.410 190 HB2 GLU 23 2HB GLU 23 4.708 -0.051 -19.254 191 HB3 GLU 23 1HB GLU 23 6.300 0.596 -18.873 192 HG2 GLU 23 2HG GLU 23 6.740 -1.595 -17.601 193 HG3 GLU 23 1HG GLU 23 5.273 -2.207 -18.363 194 H ALA 24 H ALA 24 2.774 1.727 -17.189 195 HA ALA 24 HA ALA 24 3.823 4.411 -17.523 196 HB1 ALA 24 1HB ALA 24 1.666 3.769 -18.543 197 HB2 ALA 24 2HB ALA 24 1.468 5.125 -17.434 198 HB3 ALA 24 3HB ALA 24 0.974 3.502 -16.942 199 H VAL 25 H VAL 25 2.428 2.482 -14.865 200 HA VAL 25 HA VAL 25 2.155 4.677 -13.057 201 HB VAL 25 HB VAL 25 0.681 2.722 -12.800 202 HG11 VAL 25 1HG1 VAL 25 1.463 0.575 -11.867 203 HG12 VAL 25 2HG1 VAL 25 3.133 1.146 -11.928 204 HG13 VAL 25 3HG1 VAL 25 2.228 0.915 -13.421 205 HG21 VAL 25 1HG2 VAL 25 2.439 3.114 -10.339 206 HG22 VAL 25 2HG2 VAL 25 0.793 2.474 -10.340 207 HG23 VAL 25 3HG2 VAL 25 1.090 4.144 -10.820 208 H GLU 26 H GLU 26 4.641 2.128 -13.448 209 HA GLU 26 HA GLU 26 6.125 2.839 -11.106 210 HB2 GLU 26 2HB GLU 26 7.887 1.333 -11.987 211 HB3 GLU 26 1HB GLU 26 6.298 0.590 -11.998 212 HG2 GLU 26 2HG GLU 26 6.962 -0.096 -14.071 213 HG3 GLU 26 1HG GLU 26 6.312 1.471 -14.538 214 H LYS 27 H LYS 27 6.204 3.870 -14.457 215 HA LYS 27 HA LYS 27 8.592 5.463 -14.284 216 HB2 LYS 27 2HB LYS 27 7.668 4.479 -16.397 217 HB3 LYS 27 1HB LYS 27 6.316 5.600 -16.309 218 HG2 LYS 27 2HG LYS 27 7.669 7.476 -16.823 219 HG3 LYS 27 1HG LYS 27 9.163 6.638 -16.393 220 HD2 LYS 27 2HD LYS 27 7.423 6.017 -18.817 221 HD3 LYS 27 1HD LYS 27 8.937 6.923 -18.849 222 HE2 LYS 27 2HE LYS 27 10.135 4.915 -18.008 223 HE3 LYS 27 1HE LYS 27 8.622 4.010 -18.032 224 HZ1 LYS 27 1HZ LYS 27 9.924 3.544 -19.970 225 HZ2 LYS 27 2HZ LYS 27 10.003 5.182 -20.377 226 HZ3 LYS 27 3HZ LYS 27 8.520 4.370 -20.428 227 H ALA 28 H ALA 28 5.245 5.934 -13.527 228 HA ALA 28 HA ALA 28 5.341 8.818 -13.200 229 HB1 ALA 28 1HB ALA 28 3.064 8.556 -12.317 230 HB2 ALA 28 2HB ALA 28 3.256 6.800 -12.302 231 HB3 ALA 28 3HB ALA 28 3.257 7.675 -13.833 232 H GLY 29 H GLY 29 6.475 6.206 -11.376 233 HA2 GLY 29 2HA GLY 29 7.405 6.072 -9.275 234 HA3 GLY 29 1HA GLY 29 7.049 7.777 -9.039 235 H GLY 30 H GLY 30 4.617 5.445 -9.921 236 HA2 GLY 30 2HA GLY 30 2.809 4.532 -8.862 237 HA3 GLY 30 1HA GLY 30 3.533 4.951 -7.311 238 H ASN 31 H ASN 31 2.056 6.571 -10.165 239 HA ASN 31 HA ASN 31 0.300 8.147 -8.443 240 HB2 ASN 31 2HB ASN 31 2.453 9.449 -8.540 241 HB3 ASN 31 1HB ASN 31 2.309 9.533 -10.291 242 HD21 ASN 31 1HD2 ASN 31 0.893 10.565 -7.253 243 HD22 ASN 31 2HD2 ASN 31 0.025 11.916 -7.891 244 H GLU 32 H GLU 32 -1.658 8.466 -9.437 245 HA GLU 32 HA GLU 32 -2.236 7.340 -11.993 246 HB2 GLU 32 2HB GLU 32 -3.899 9.105 -10.144 247 HB3 GLU 32 1HB GLU 32 -4.516 8.500 -11.674 248 HG2 GLU 32 2HG GLU 32 -4.081 6.158 -10.808 249 HG3 GLU 32 1HG GLU 32 -3.743 6.883 -9.236 250 H GLU 33 H GLU 33 -2.098 10.703 -10.835 251 HA GLU 33 HA GLU 33 -3.087 11.984 -13.119 252 HB2 GLU 33 2HB GLU 33 -3.046 13.034 -10.905 253 HB3 GLU 33 1HB GLU 33 -1.288 13.023 -10.897 254 HG2 GLU 33 2HG GLU 33 -1.278 14.642 -12.782 255 HG3 GLU 33 1HG GLU 33 -3.042 14.666 -12.760 256 H GLU 34 H GLU 34 0.206 11.156 -12.210 257 HA GLU 34 HA GLU 34 1.487 12.523 -14.396 258 HB2 GLU 34 2HB GLU 34 2.672 12.099 -12.256 259 HB3 GLU 34 1HB GLU 34 2.546 10.363 -12.512 260 HG2 GLU 34 2HG GLU 34 4.793 11.117 -13.049 261 HG3 GLU 34 1HG GLU 34 3.992 10.544 -14.509 262 H ALA 35 H ALA 35 0.591 9.154 -13.647 263 HA ALA 35 HA ALA 35 1.849 7.931 -15.867 264 HB1 ALA 35 1HB ALA 35 -0.447 6.885 -14.193 265 HB2 ALA 35 2HB ALA 35 1.268 6.688 -13.840 266 HB3 ALA 35 3HB ALA 35 0.573 5.926 -15.271 267 H ARG 36 H ARG 36 -1.382 9.334 -15.485 268 HA ARG 36 HA ARG 36 -2.446 8.237 -17.914 269 HB2 ARG 36 2HB ARG 36 -4.385 9.716 -17.567 270 HB3 ARG 36 1HB ARG 36 -3.994 8.782 -16.129 271 HG2 ARG 36 2HG ARG 36 -2.929 10.757 -15.118 272 HG3 ARG 36 1HG ARG 36 -3.301 11.707 -16.560 273 HD2 ARG 36 2HD ARG 36 -4.907 12.011 -14.602 274 HD3 ARG 36 1HD ARG 36 -5.654 11.588 -16.144 275 HE ARG 36 HE ARG 36 -5.942 9.333 -15.361 276 HH11 ARG 36 1HH1 ARG 36 -5.149 11.596 -12.811 277 HH12 ARG 36 2HH1 ARG 36 -5.761 10.563 -11.561 278 HH21 ARG 36 1HH2 ARG 36 -6.679 7.997 -13.735 279 HH22 ARG 36 2HH2 ARG 36 -6.600 8.506 -12.079 280 H ARG 37 H ARG 37 -0.164 10.589 -17.441 281 HA ARG 37 HA ARG 37 -0.671 11.882 -20.050 282 HB2 ARG 37 2HB ARG 37 1.602 12.490 -18.110 283 HB3 ARG 37 1HB ARG 37 1.033 13.488 -19.445 284 HG2 ARG 37 2HG ARG 37 -0.440 12.928 -16.853 285 HG3 ARG 37 1HG ARG 37 0.346 14.438 -17.306 286 HD2 ARG 37 2HD ARG 37 -1.289 14.799 -19.089 287 HD3 ARG 37 1HD ARG 37 -2.033 13.226 -18.770 288 HE ARG 37 HE ARG 37 -1.959 15.155 -16.558 289 HH11 ARG 37 1HH1 ARG 37 -3.933 13.716 -19.093 290 HH12 ARG 37 2HH1 ARG 37 -5.432 14.137 -18.330 291 HH21 ARG 37 1HH2 ARG 37 -3.959 15.707 -15.575 292 HH22 ARG 37 2HH2 ARG 37 -5.446 15.241 -16.344 293 H ILE 38 H ILE 38 1.228 9.499 -18.406 294 HA ILE 38 HA ILE 38 3.296 9.204 -20.451 295 HB ILE 38 HB ILE 38 2.812 7.603 -17.886 296 HG12 ILE 38 2HG1 ILE 38 4.769 9.909 -18.379 297 HG13 ILE 38 1HG1 ILE 38 3.292 10.012 -17.428 298 HG21 ILE 38 1HG2 ILE 38 5.308 7.654 -19.642 299 HG22 ILE 38 2HG2 ILE 38 4.190 6.305 -19.467 300 HG23 ILE 38 3HG2 ILE 38 5.164 6.817 -18.092 301 HD11 ILE 38 1HD1 ILE 38 5.715 8.345 -16.775 302 HD12 ILE 38 2HD1 ILE 38 4.227 8.409 -15.826 303 HD13 ILE 38 3HD1 ILE 38 5.226 9.851 -16.003 304 H VAL 39 H VAL 39 0.152 7.934 -19.859 305 HA VAL 39 HA VAL 39 0.330 5.251 -20.618 306 HB VAL 39 HB VAL 39 -2.148 5.434 -21.283 307 HG11 VAL 39 1HG1 VAL 39 -2.942 5.684 -18.970 308 HG12 VAL 39 2HG1 VAL 39 -1.413 6.424 -18.501 309 HG13 VAL 39 3HG1 VAL 39 -1.452 4.738 -19.018 310 HG21 VAL 39 1HG2 VAL 39 -2.202 7.800 -21.963 311 HG22 VAL 39 2HG2 VAL 39 -1.807 8.313 -20.323 312 HG23 VAL 39 3HG2 VAL 39 -3.349 7.520 -20.655 313 H LYS 40 H LYS 40 1.707 4.980 -22.337 314 HA LYS 40 HA LYS 40 0.891 5.957 -24.993 315 HB2 LYS 40 2HB LYS 40 3.467 4.606 -24.082 316 HB3 LYS 40 1HB LYS 40 3.125 5.073 -25.743 317 HG2 LYS 40 2HG LYS 40 3.411 6.952 -23.375 318 HG3 LYS 40 1HG LYS 40 4.589 6.713 -24.664 319 HD2 LYS 40 2HD LYS 40 1.812 7.941 -24.947 320 HD3 LYS 40 1HD LYS 40 3.351 8.800 -25.018 321 HE2 LYS 40 2HE LYS 40 3.938 7.492 -27.075 322 HE3 LYS 40 1HE LYS 40 2.342 6.743 -27.018 323 HZ1 LYS 40 1HZ LYS 40 2.372 8.580 -28.551 324 HZ2 LYS 40 2HZ LYS 40 2.902 9.634 -27.345 325 HZ3 LYS 40 3HZ LYS 40 1.362 8.948 -27.247 326 H LYS 41 H LYS 41 -0.222 4.678 -26.251 327 HA LYS 41 HA LYS 41 -0.554 1.838 -25.775 328 HB2 LYS 41 2HB LYS 41 -1.577 3.530 -28.102 329 HB3 LYS 41 1HB LYS 41 -2.132 1.920 -27.650 330 HG2 LYS 41 2HG LYS 41 -2.860 2.982 -25.413 331 HG3 LYS 41 1HG LYS 41 -2.593 4.538 -26.194 332 HD2 LYS 41 2HD LYS 41 -4.952 3.983 -26.342 333 HD3 LYS 41 1HD LYS 41 -4.249 3.888 -27.961 334 HE2 LYS 41 2HE LYS 41 -4.082 1.426 -27.733 335 HE3 LYS 41 1HE LYS 41 -4.803 1.532 -26.126 336 HZ1 LYS 41 1HZ LYS 41 -6.343 0.915 -27.931 337 HZ2 LYS 41 2HZ LYS 41 -6.143 2.455 -28.595 338 HZ3 LYS 41 3HZ LYS 41 -6.821 2.277 -27.059 339 H ARG 42 H ARG 42 -0.239 0.292 -27.607 340 HA ARG 42 HA ARG 42 2.296 0.476 -28.890 341 HB2 ARG 42 2HB ARG 42 0.004 -1.424 -29.517 342 HB3 ARG 42 1HB ARG 42 1.672 -1.616 -30.037 343 HG2 ARG 42 2HG ARG 42 0.571 -1.862 -27.222 344 HG3 ARG 42 1HG ARG 42 1.311 -3.117 -28.212 345 HD2 ARG 42 2HD ARG 42 3.058 -2.606 -26.759 346 HD3 ARG 42 1HD ARG 42 3.443 -1.532 -28.111 347 HE ARG 42 HE ARG 42 1.759 -0.418 -26.019 348 HH11 ARG 42 1HH1 ARG 42 5.020 -0.610 -27.253 349 HH12 ARG 42 2HH1 ARG 42 5.577 0.721 -26.294 350 HH21 ARG 42 1HH2 ARG 42 2.471 1.298 -24.787 351 HH22 ARG 42 2HH2 ARG 42 4.130 1.801 -24.883 352 H LEU 43 H LEU 43 -0.914 1.450 -29.788 353 HA LEU 43 HA LEU 43 -0.380 2.096 -32.537 354 HB2 LEU 43 2HB LEU 43 -2.694 1.777 -31.732 355 HB3 LEU 43 1HB LEU 43 -2.504 3.092 -30.581 356 HG LEU 43 HG LEU 43 -2.260 4.697 -32.503 357 HD11 LEU 43 1HD1 LEU 43 -3.033 2.346 -34.260 358 HD12 LEU 43 2HD1 LEU 43 -1.467 3.160 -34.244 359 HD13 LEU 43 3HD1 LEU 43 -2.904 4.032 -34.772 360 HD21 LEU 43 1HD2 LEU 43 -4.855 3.119 -32.498 361 HD22 LEU 43 2HD2 LEU 43 -4.642 4.771 -33.087 362 HD23 LEU 43 3HD2 LEU 43 -4.428 4.415 -31.375 Start of MODEL 19 1 HA ARG 1 HA ARG 1 3.047 3.902 -0.614 2 HB2 ARG 1 2HB ARG 1 2.673 4.174 1.972 3 HB3 ARG 1 1HB ARG 1 1.130 3.383 1.697 4 HG2 ARG 1 2HG ARG 1 2.723 1.720 2.439 5 HG3 ARG 1 1HG ARG 1 2.362 1.411 0.737 6 HD2 ARG 1 2HD ARG 1 4.450 2.503 0.066 7 HD3 ARG 1 1HD ARG 1 4.808 2.916 1.745 8 HE ARG 1 HE ARG 1 4.617 0.119 0.790 9 HH11 ARG 1 1HH1 ARG 1 6.330 2.572 2.637 10 HH12 ARG 1 2HH1 ARG 1 7.582 1.484 3.142 11 HH21 ARG 1 1HH2 ARG 1 6.273 -1.297 1.462 12 HH22 ARG 1 2HH2 ARG 1 7.549 -0.704 2.478 13 H LYS 2 H LYS 2 -0.231 5.015 -0.632 14 HA LYS 2 HA LYS 2 -1.482 2.619 -1.607 15 HB2 LYS 2 2HB LYS 2 -2.561 4.652 -0.343 16 HB3 LYS 2 1HB LYS 2 -2.575 5.462 -1.900 17 HG2 LYS 2 2HG LYS 2 -4.000 2.848 -1.269 18 HG3 LYS 2 1HG LYS 2 -4.761 4.440 -1.257 19 HD2 LYS 2 2HD LYS 2 -4.320 4.670 -3.685 20 HD3 LYS 2 1HD LYS 2 -3.520 3.096 -3.697 21 HE2 LYS 2 2HE LYS 2 -6.449 3.623 -3.104 22 HE3 LYS 2 1HE LYS 2 -5.782 2.875 -4.556 23 HZ1 LYS 2 1HZ LYS 2 -4.931 1.062 -3.111 24 HZ2 LYS 2 2HZ LYS 2 -6.621 1.181 -3.124 25 HZ3 LYS 2 3HZ LYS 2 -5.745 1.761 -1.800 26 H TRP 3 H TRP 3 -0.330 1.936 -3.445 27 HA TRP 3 HA TRP 3 -0.457 3.663 -5.874 28 HB2 TRP 3 2HB TRP 3 1.683 1.571 -5.244 29 HB3 TRP 3 1HB TRP 3 1.659 2.658 -6.625 30 HD1 TRP 3 HD1 TRP 3 1.342 5.471 -5.253 31 HE1 TRP 3 HE1 TRP 3 3.224 6.418 -3.782 32 HE3 TRP 3 HE3 TRP 3 3.722 1.101 -4.031 33 HZ2 TRP 3 HZ2 TRP 3 5.426 5.462 -2.304 34 HZ3 TRP 3 HZ3 TRP 3 5.713 1.205 -2.583 35 HH2 TRP 3 HH2 TRP 3 6.549 3.345 -1.736 36 H GLU 4 H GLU 4 -2.388 1.563 -4.845 37 HA GLU 4 HA GLU 4 -1.871 -0.829 -6.474 38 HB2 GLU 4 2HB GLU 4 -4.137 -0.336 -4.490 39 HB3 GLU 4 1HB GLU 4 -3.761 -1.862 -5.276 40 HG2 GLU 4 2HG GLU 4 -2.967 -2.010 -3.049 41 HG3 GLU 4 1HG GLU 4 -1.551 -1.869 -4.093 42 H GLU 5 H GLU 5 -4.855 1.013 -5.809 43 HA GLU 5 HA GLU 5 -6.242 0.229 -8.141 44 HB2 GLU 5 2HB GLU 5 -6.705 2.567 -6.261 45 HB3 GLU 5 1HB GLU 5 -7.839 2.090 -7.522 46 HG2 GLU 5 2HG GLU 5 -8.316 0.009 -6.419 47 HG3 GLU 5 1HG GLU 5 -6.994 0.252 -5.267 48 H ILE 6 H ILE 6 -3.782 2.530 -7.740 49 HA ILE 6 HA ILE 6 -4.481 4.482 -9.665 50 HB ILE 6 HB ILE 6 -1.789 3.630 -8.516 51 HG12 ILE 6 2HG1 ILE 6 -3.704 5.918 -7.846 52 HG13 ILE 6 1HG1 ILE 6 -3.344 4.523 -6.839 53 HG21 ILE 6 1HG2 ILE 6 -2.366 6.088 -10.205 54 HG22 ILE 6 2HG2 ILE 6 -1.354 4.719 -10.668 55 HG23 ILE 6 3HG2 ILE 6 -0.857 5.771 -9.345 56 HD11 ILE 6 1HD1 ILE 6 -2.283 6.518 -6.005 57 HD12 ILE 6 2HD1 ILE 6 -1.441 6.754 -7.536 58 HD13 ILE 6 3HD1 ILE 6 -1.067 5.353 -6.527 59 H ALA 7 H ALA 7 -2.555 1.474 -9.911 60 HA ALA 7 HA ALA 7 -1.949 1.740 -12.725 61 HB1 ALA 7 1HB ALA 7 -1.048 -0.548 -12.526 62 HB2 ALA 7 2HB ALA 7 -1.756 -0.693 -10.914 63 HB3 ALA 7 3HB ALA 7 -0.477 0.482 -11.209 64 H GLU 8 H GLU 8 -4.451 0.253 -10.820 65 HA GLU 8 HA GLU 8 -5.677 -1.410 -12.785 66 HB2 GLU 8 2HB GLU 8 -6.009 -1.743 -10.372 67 HB3 GLU 8 1HB GLU 8 -6.755 -0.155 -10.229 68 HG2 GLU 8 2HG GLU 8 -8.630 -0.942 -11.681 69 HG3 GLU 8 1HG GLU 8 -7.890 -2.544 -11.722 70 H ARG 9 H ARG 9 -6.373 1.813 -11.533 71 HA ARG 9 HA ARG 9 -8.527 2.525 -13.202 72 HB2 ARG 9 2HB ARG 9 -8.057 3.721 -11.104 73 HB3 ARG 9 1HB ARG 9 -6.505 4.269 -11.731 74 HG2 ARG 9 2HG ARG 9 -7.699 5.602 -13.458 75 HG3 ARG 9 1HG ARG 9 -9.241 5.076 -12.773 76 HD2 ARG 9 2HD ARG 9 -8.658 6.183 -10.638 77 HD3 ARG 9 1HD ARG 9 -7.113 6.696 -11.336 78 HE ARG 9 HE ARG 9 -8.924 7.684 -13.082 79 HH11 ARG 9 1HH1 ARG 9 -8.605 8.021 -9.590 80 HH12 ARG 9 2HH1 ARG 9 -9.362 9.581 -9.573 81 HH21 ARG 9 1HH2 ARG 9 -9.895 9.705 -13.021 82 HH22 ARG 9 2HH2 ARG 9 -10.113 10.515 -11.504 83 H LEU 10 H LEU 10 -5.032 2.805 -13.482 84 HA LEU 10 HA LEU 10 -4.784 4.569 -15.624 85 HB2 LEU 10 2HB LEU 10 -2.900 3.770 -14.175 86 HB3 LEU 10 1HB LEU 10 -2.980 2.209 -14.974 87 HG LEU 10 HG LEU 10 -2.357 3.243 -17.136 88 HD11 LEU 10 1HD1 LEU 10 -3.350 5.444 -16.851 89 HD12 LEU 10 2HD1 LEU 10 -1.641 5.600 -17.244 90 HD13 LEU 10 3HD1 LEU 10 -2.183 5.842 -15.584 91 HD21 LEU 10 1HD2 LEU 10 -0.416 3.953 -14.910 92 HD22 LEU 10 2HD2 LEU 10 -0.016 3.786 -16.622 93 HD23 LEU 10 3HD2 LEU 10 -0.558 2.382 -15.706 94 H ARG 11 H ARG 11 -5.140 1.056 -15.578 95 HA ARG 11 HA ARG 11 -5.055 0.513 -18.322 96 HB2 ARG 11 2HB ARG 11 -4.952 -1.300 -16.732 97 HB3 ARG 11 1HB ARG 11 -6.529 -0.881 -16.066 98 HG2 ARG 11 2HG ARG 11 -7.595 -1.518 -18.219 99 HG3 ARG 11 1HG ARG 11 -6.010 -1.977 -18.855 100 HD2 ARG 11 2HD ARG 11 -5.805 -3.748 -17.231 101 HD3 ARG 11 1HD ARG 11 -7.256 -3.202 -16.378 102 HE ARG 11 HE ARG 11 -7.943 -3.786 -19.044 103 HH11 ARG 11 1HH1 ARG 11 -6.901 -5.467 -16.150 104 HH12 ARG 11 2HH1 ARG 11 -7.771 -6.915 -16.532 105 HH21 ARG 11 1HH2 ARG 11 -9.114 -5.677 -19.519 106 HH22 ARG 11 2HH2 ARG 11 -9.031 -7.032 -18.434 107 H GLU 12 H GLU 12 -7.862 1.161 -16.221 108 HA GLU 12 HA GLU 12 -9.718 1.137 -18.454 109 HB2 GLU 12 2HB GLU 12 -10.085 1.549 -15.465 110 HB3 GLU 12 1HB GLU 12 -11.420 1.539 -16.622 111 HG2 GLU 12 2HG GLU 12 -9.503 -0.763 -16.088 112 HG3 GLU 12 1HG GLU 12 -11.164 -0.638 -15.502 113 H GLU 13 H GLU 13 -7.658 3.467 -17.452 114 HA GLU 13 HA GLU 13 -9.285 5.807 -17.359 115 HB2 GLU 13 2HB GLU 13 -6.851 5.517 -16.525 116 HB3 GLU 13 1HB GLU 13 -6.349 5.703 -18.197 117 HG2 GLU 13 2HG GLU 13 -6.104 7.815 -17.066 118 HG3 GLU 13 1HG GLU 13 -7.422 7.952 -18.236 119 H PHE 14 H PHE 14 -7.432 4.160 -19.890 120 HA PHE 14 HA PHE 14 -8.954 5.579 -22.012 121 HB2 PHE 14 2HB PHE 14 -6.065 4.612 -22.262 122 HB3 PHE 14 1HB PHE 14 -6.967 5.567 -23.435 123 HD1 PHE 14 HD1 PHE 14 -7.915 7.894 -22.463 124 HD2 PHE 14 HD2 PHE 14 -4.565 5.765 -20.857 125 HE1 PHE 14 HE1 PHE 14 -7.108 9.958 -21.385 126 HE2 PHE 14 HE2 PHE 14 -3.769 7.839 -19.793 127 HZ PHE 14 HZ PHE 14 -5.040 9.933 -20.051 128 H ASN 15 H ASN 15 -8.963 2.845 -20.451 129 HA ASN 15 HA ASN 15 -9.408 0.660 -20.742 130 HB2 ASN 15 2HB ASN 15 -10.676 1.799 -23.260 131 HB3 ASN 15 1HB ASN 15 -10.832 0.101 -22.828 132 HD21 ASN 15 1HD2 ASN 15 -11.105 0.390 -20.006 133 HD22 ASN 15 2HD2 ASN 15 -12.622 1.151 -19.693 134 H ILE 16 H ILE 16 -6.837 1.413 -21.377 135 HA ILE 16 HA ILE 16 -5.832 0.007 -23.683 136 HB ILE 16 HB ILE 16 -3.588 0.379 -22.674 137 HG12 ILE 16 2HG1 ILE 16 -5.125 1.473 -20.264 138 HG13 ILE 16 1HG1 ILE 16 -4.166 0.001 -20.288 139 HG21 ILE 16 1HG2 ILE 16 -5.352 2.854 -22.528 140 HG22 ILE 16 2HG2 ILE 16 -4.564 2.213 -23.970 141 HG23 ILE 16 3HG2 ILE 16 -3.589 2.859 -22.653 142 HD11 ILE 16 1HD1 ILE 16 -3.033 1.803 -19.138 143 HD12 ILE 16 2HD1 ILE 16 -3.109 2.806 -20.582 144 HD13 ILE 16 3HD1 ILE 16 -2.139 1.335 -20.582 145 H ASN 17 H ASN 17 -3.999 -1.713 -23.141 146 HA ASN 17 HA ASN 17 -5.138 -3.891 -21.562 147 HB2 ASN 17 2HB ASN 17 -2.712 -3.694 -23.406 148 HB3 ASN 17 1HB ASN 17 -3.111 -5.155 -22.500 149 HD21 ASN 17 1HD2 ASN 17 -4.054 -3.067 -25.136 150 HD22 ASN 17 2HD2 ASN 17 -5.220 -4.133 -25.830 151 HA PRO 18 HA PRO 18 -2.651 -3.430 -17.823 152 HB2 PRO 18 2HB PRO 18 -1.852 -6.316 -18.270 153 HB3 PRO 18 1HB PRO 18 -2.447 -5.531 -16.796 154 HG2 PRO 18 2HG PRO 18 -4.080 -7.055 -18.239 155 HG3 PRO 18 1HG PRO 18 -4.676 -5.528 -17.551 156 HD2 PRO 18 2HD PRO 18 -3.875 -6.154 -20.389 157 HD3 PRO 18 1HD PRO 18 -5.211 -5.147 -19.790 158 H GLU 19 H GLU 19 -1.229 -5.014 -20.631 159 HA GLU 19 HA GLU 19 1.496 -4.871 -20.051 160 HB2 GLU 19 2HB GLU 19 0.191 -4.638 -22.798 161 HB3 GLU 19 1HB GLU 19 1.889 -4.976 -22.506 162 HG2 GLU 19 2HG GLU 19 0.996 -7.065 -23.025 163 HG3 GLU 19 1HG GLU 19 1.101 -7.089 -21.271 164 H GLU 20 H GLU 20 -0.651 -2.459 -21.498 165 HA GLU 20 HA GLU 20 1.399 -0.547 -22.163 166 HB2 GLU 20 2HB GLU 20 -1.517 0.208 -21.814 167 HB3 GLU 20 1HB GLU 20 -0.341 0.856 -22.951 168 HG2 GLU 20 2HG GLU 20 -1.816 -1.789 -23.080 169 HG3 GLU 20 1HG GLU 20 -1.976 -0.410 -24.163 170 H ALA 21 H ALA 21 -0.607 -1.206 -19.380 171 HA ALA 21 HA ALA 21 -0.123 1.246 -17.952 172 HB1 ALA 21 1HB ALA 21 -1.230 0.103 -16.066 173 HB2 ALA 21 2HB ALA 21 -1.183 -1.421 -16.955 174 HB3 ALA 21 3HB ALA 21 -2.159 -0.081 -17.559 175 H ARG 22 H ARG 22 1.471 -1.897 -18.193 176 HA ARG 22 HA ARG 22 3.177 -1.844 -15.934 177 HB2 ARG 22 2HB ARG 22 3.740 -3.053 -18.687 178 HB3 ARG 22 1HB ARG 22 4.659 -3.398 -17.223 179 HG2 ARG 22 2HG ARG 22 2.700 -4.474 -16.222 180 HG3 ARG 22 1HG ARG 22 1.737 -4.064 -17.643 181 HD2 ARG 22 2HD ARG 22 3.379 -5.411 -19.026 182 HD3 ARG 22 1HD ARG 22 4.097 -5.954 -17.506 183 HE ARG 22 HE ARG 22 1.584 -6.662 -17.089 184 HH11 ARG 22 1HH1 ARG 22 3.511 -7.065 -20.017 185 HH12 ARG 22 2HH1 ARG 22 2.683 -8.511 -20.492 186 HH21 ARG 22 1HH2 ARG 22 0.512 -8.554 -17.757 187 HH22 ARG 22 2HH2 ARG 22 0.988 -9.341 -19.225 188 H GLU 23 H GLU 23 5.162 -0.971 -15.605 189 HA GLU 23 HA GLU 23 6.990 0.287 -15.708 190 HB2 GLU 23 2HB GLU 23 6.558 0.323 -18.724 191 HB3 GLU 23 1HB GLU 23 7.969 1.020 -17.923 192 HG2 GLU 23 2HG GLU 23 8.637 -1.159 -17.081 193 HG3 GLU 23 1HG GLU 23 7.163 -1.901 -17.703 194 H ALA 24 H ALA 24 4.250 1.596 -17.557 195 HA ALA 24 HA ALA 24 4.913 4.302 -17.631 196 HB1 ALA 24 1HB ALA 24 2.138 3.066 -17.580 197 HB2 ALA 24 2HB ALA 24 3.135 3.305 -19.017 198 HB3 ALA 24 3HB ALA 24 2.533 4.701 -18.118 199 H VAL 25 H VAL 25 2.749 2.629 -15.316 200 HA VAL 25 HA VAL 25 2.443 4.850 -13.559 201 HB VAL 25 HB VAL 25 0.803 2.970 -13.733 202 HG11 VAL 25 1HG1 VAL 25 2.342 1.079 -13.887 203 HG12 VAL 25 2HG1 VAL 25 1.191 0.834 -12.574 204 HG13 VAL 25 3HG1 VAL 25 2.847 1.324 -12.212 205 HG21 VAL 25 1HG2 VAL 25 0.697 4.463 -11.786 206 HG22 VAL 25 2HG2 VAL 25 1.831 3.436 -10.908 207 HG23 VAL 25 3HG2 VAL 25 0.229 2.823 -11.327 208 H GLU 26 H GLU 26 4.865 2.407 -13.911 209 HA GLU 26 HA GLU 26 6.021 2.553 -11.289 210 HB2 GLU 26 2HB GLU 26 7.255 1.505 -13.872 211 HB3 GLU 26 1HB GLU 26 7.827 1.180 -12.236 212 HG2 GLU 26 2HG GLU 26 5.166 0.283 -13.400 213 HG3 GLU 26 1HG GLU 26 6.598 -0.728 -13.215 214 H LYS 27 H LYS 27 6.504 4.294 -14.343 215 HA LYS 27 HA LYS 27 8.919 5.672 -13.702 216 HB2 LYS 27 2HB LYS 27 6.653 6.783 -15.421 217 HB3 LYS 27 1HB LYS 27 8.341 7.275 -15.461 218 HG2 LYS 27 2HG LYS 27 7.202 4.628 -16.380 219 HG3 LYS 27 1HG LYS 27 7.740 5.950 -17.417 220 HD2 LYS 27 2HD LYS 27 10.058 5.631 -16.644 221 HD3 LYS 27 1HD LYS 27 9.537 4.348 -15.543 222 HE2 LYS 27 2HE LYS 27 8.833 2.967 -17.445 223 HE3 LYS 27 1HE LYS 27 9.248 4.262 -18.570 224 HZ1 LYS 27 1HZ LYS 27 11.128 2.762 -16.842 225 HZ2 LYS 27 2HZ LYS 27 11.557 4.060 -17.830 226 HZ3 LYS 27 3HZ LYS 27 10.981 2.625 -18.521 227 H ALA 28 H ALA 28 5.490 6.421 -13.299 228 HA ALA 28 HA ALA 28 5.708 8.925 -11.987 229 HB1 ALA 28 1HB ALA 28 3.437 6.896 -11.891 230 HB2 ALA 28 2HB ALA 28 3.644 8.148 -13.117 231 HB3 ALA 28 3HB ALA 28 3.324 8.600 -11.441 232 H GLY 29 H GLY 29 6.039 5.644 -10.875 233 HA2 GLY 29 2HA GLY 29 6.718 4.851 -8.786 234 HA3 GLY 29 1HA GLY 29 6.404 6.429 -8.074 235 H GLY 30 H GLY 30 3.814 6.858 -8.921 236 HA2 GLY 30 2HA GLY 30 1.848 5.042 -9.034 237 HA3 GLY 30 1HA GLY 30 2.190 5.060 -7.305 238 H ASN 31 H ASN 31 1.332 7.117 -10.057 239 HA ASN 31 HA ASN 31 -0.468 8.676 -8.353 240 HB2 ASN 31 2HB ASN 31 1.663 9.986 -8.356 241 HB3 ASN 31 1HB ASN 31 1.641 10.014 -10.117 242 HD21 ASN 31 1HD2 ASN 31 0.126 11.245 -7.211 243 HD22 ASN 31 2HD2 ASN 31 -0.740 12.532 -7.970 244 H GLU 32 H GLU 32 -2.325 9.155 -9.440 245 HA GLU 32 HA GLU 32 -2.929 7.640 -11.757 246 HB2 GLU 32 2HB GLU 32 -4.596 9.871 -10.517 247 HB3 GLU 32 1HB GLU 32 -5.189 8.568 -11.546 248 HG2 GLU 32 2HG GLU 32 -4.708 6.925 -9.819 249 HG3 GLU 32 1HG GLU 32 -3.946 8.151 -8.808 250 H GLU 33 H GLU 33 -2.621 11.158 -11.225 251 HA GLU 33 HA GLU 33 -3.401 11.979 -13.826 252 HB2 GLU 33 2HB GLU 33 -3.452 13.463 -11.816 253 HB3 GLU 33 1HB GLU 33 -1.692 13.486 -11.805 254 HG2 GLU 33 2HG GLU 33 -1.759 14.517 -14.105 255 HG3 GLU 33 1HG GLU 33 -3.511 14.625 -13.955 256 H GLU 34 H GLU 34 -0.214 11.564 -12.316 257 HA GLU 34 HA GLU 34 1.360 12.449 -14.481 258 HB2 GLU 34 2HB GLU 34 2.203 12.259 -12.151 259 HB3 GLU 34 1HB GLU 34 2.100 10.507 -12.246 260 HG2 GLU 34 2HG GLU 34 4.406 11.248 -12.510 261 HG3 GLU 34 1HG GLU 34 3.834 10.479 -13.989 262 H ALA 35 H ALA 35 0.390 9.182 -13.446 263 HA ALA 35 HA ALA 35 1.810 7.694 -15.363 264 HB1 ALA 35 1HB ALA 35 0.404 5.799 -14.683 265 HB2 ALA 35 2HB ALA 35 -0.709 6.900 -13.868 266 HB3 ALA 35 3HB ALA 35 0.940 6.721 -13.274 267 H ARG 36 H ARG 36 -1.492 9.079 -15.463 268 HA ARG 36 HA ARG 36 -2.212 7.781 -17.942 269 HB2 ARG 36 2HB ARG 36 -4.275 9.035 -17.892 270 HB3 ARG 36 1HB ARG 36 -3.935 8.486 -16.256 271 HG2 ARG 36 2HG ARG 36 -3.141 10.737 -15.660 272 HG3 ARG 36 1HG ARG 36 -3.445 11.295 -17.303 273 HD2 ARG 36 2HD ARG 36 -5.250 12.005 -15.818 274 HD3 ARG 36 1HD ARG 36 -5.857 10.849 -17.002 275 HE ARG 36 HE ARG 36 -5.817 9.148 -15.251 276 HH11 ARG 36 1HH1 ARG 36 -5.656 12.475 -14.094 277 HH12 ARG 36 2HH1 ARG 36 -6.401 12.088 -12.577 278 HH21 ARG 36 1HH2 ARG 36 -6.818 8.692 -13.301 279 HH22 ARG 36 2HH2 ARG 36 -7.049 9.955 -12.128 280 H ARG 37 H ARG 37 -0.502 10.669 -17.102 281 HA ARG 37 HA ARG 37 -0.559 11.799 -19.787 282 HB2 ARG 37 2HB ARG 37 0.961 12.563 -17.263 283 HB3 ARG 37 1HB ARG 37 1.205 13.384 -18.804 284 HG2 ARG 37 2HG ARG 37 -1.157 14.078 -18.825 285 HG3 ARG 37 1HG ARG 37 -1.431 13.236 -17.299 286 HD2 ARG 37 2HD ARG 37 -1.154 15.671 -16.968 287 HD3 ARG 37 1HD ARG 37 0.110 14.750 -16.153 288 HE ARG 37 HE ARG 37 1.634 15.362 -17.963 289 HH11 ARG 37 1HH1 ARG 37 -1.295 17.306 -17.778 290 HH12 ARG 37 2HH1 ARG 37 -0.559 18.683 -18.529 291 HH21 ARG 37 1HH2 ARG 37 2.567 17.179 -18.951 292 HH22 ARG 37 2HH2 ARG 37 1.620 18.613 -19.187 293 H ILE 38 H ILE 38 1.326 9.492 -18.030 294 HA ILE 38 HA ILE 38 3.605 9.508 -19.834 295 HB ILE 38 HB ILE 38 2.782 7.527 -17.655 296 HG12 ILE 38 2HG1 ILE 38 4.987 9.645 -17.621 297 HG13 ILE 38 1HG1 ILE 38 3.405 9.862 -16.894 298 HG21 ILE 38 1HG2 ILE 38 5.409 7.647 -19.193 299 HG22 ILE 38 2HG2 ILE 38 4.196 6.370 -19.308 300 HG23 ILE 38 3HG2 ILE 38 5.085 6.605 -17.803 301 HD11 ILE 38 1HD1 ILE 38 5.454 7.816 -16.072 302 HD12 ILE 38 2HD1 ILE 38 3.867 8.047 -15.333 303 HD13 ILE 38 3HD1 ILE 38 5.080 9.324 -15.239 304 H VAL 39 H VAL 39 0.607 7.684 -19.428 305 HA VAL 39 HA VAL 39 1.140 5.733 -21.474 306 HB VAL 39 HB VAL 39 -1.381 6.480 -19.934 307 HG11 VAL 39 1HG1 VAL 39 -1.172 4.281 -22.029 308 HG12 VAL 39 2HG1 VAL 39 -2.151 5.742 -22.154 309 HG13 VAL 39 3HG1 VAL 39 -2.536 4.531 -20.935 310 HG21 VAL 39 1HG2 VAL 39 0.340 5.261 -18.680 311 HG22 VAL 39 2HG2 VAL 39 0.365 3.992 -19.906 312 HG23 VAL 39 3HG2 VAL 39 -1.078 4.240 -18.921 313 H LYS 40 H LYS 40 0.597 5.742 -23.580 314 HA LYS 40 HA LYS 40 -0.204 8.119 -24.959 315 HB2 LYS 40 2HB LYS 40 -0.025 5.242 -25.968 316 HB3 LYS 40 1HB LYS 40 -0.166 6.682 -26.984 317 HG2 LYS 40 2HG LYS 40 2.014 7.487 -26.049 318 HG3 LYS 40 1HG LYS 40 2.151 5.967 -25.161 319 HD2 LYS 40 2HD LYS 40 2.169 4.728 -27.319 320 HD3 LYS 40 1HD LYS 40 2.057 6.265 -28.187 321 HE2 LYS 40 2HE LYS 40 4.336 5.351 -26.400 322 HE3 LYS 40 1HE LYS 40 4.382 5.531 -28.154 323 HZ1 LYS 40 1HZ LYS 40 5.423 7.407 -27.096 324 HZ2 LYS 40 2HZ LYS 40 4.050 7.720 -26.168 325 HZ3 LYS 40 3HZ LYS 40 3.998 7.925 -27.844 326 H LYS 41 H LYS 41 -2.208 8.832 -25.118 327 HA LYS 41 HA LYS 41 -4.393 7.408 -23.924 328 HB2 LYS 41 2HB LYS 41 -4.598 10.028 -25.445 329 HB3 LYS 41 1HB LYS 41 -5.607 9.454 -24.119 330 HG2 LYS 41 2HG LYS 41 -3.668 9.714 -22.570 331 HG3 LYS 41 1HG LYS 41 -2.703 10.329 -23.917 332 HD2 LYS 41 2HD LYS 41 -4.484 12.157 -24.181 333 HD3 LYS 41 1HD LYS 41 -5.145 11.607 -22.637 334 HE2 LYS 41 2HE LYS 41 -2.350 12.685 -23.114 335 HE3 LYS 41 1HE LYS 41 -3.672 13.532 -22.307 336 HZ1 LYS 41 1HZ LYS 41 -2.417 11.013 -21.333 337 HZ2 LYS 41 2HZ LYS 41 -3.622 11.906 -20.549 338 HZ3 LYS 41 3HZ LYS 41 -2.084 12.567 -20.757 339 H ARG 42 H ARG 42 -5.610 5.965 -25.006 340 HA ARG 42 HA ARG 42 -5.800 5.920 -27.904 341 HB2 ARG 42 2HB ARG 42 -7.066 4.141 -25.773 342 HB3 ARG 42 1HB ARG 42 -7.196 3.869 -27.512 343 HG2 ARG 42 2HG ARG 42 -4.720 3.636 -27.638 344 HG3 ARG 42 1HG ARG 42 -4.625 3.848 -25.887 345 HD2 ARG 42 2HD ARG 42 -5.973 1.799 -25.577 346 HD3 ARG 42 1HD ARG 42 -6.052 1.592 -27.336 347 HE ARG 42 HE ARG 42 -3.361 1.806 -26.340 348 HH11 ARG 42 1HH1 ARG 42 -5.981 -0.500 -26.826 349 HH12 ARG 42 2HH1 ARG 42 -4.906 -1.851 -26.965 350 HH21 ARG 42 1HH2 ARG 42 -1.995 0.025 -26.509 351 HH22 ARG 42 2HH2 ARG 42 -2.655 -1.551 -26.803 352 H LEU 43 H LEU 43 -6.658 8.096 -27.892 353 HA LEU 43 HA LEU 43 -9.538 8.310 -27.948 354 HB2 LEU 43 2HB LEU 43 -8.661 8.701 -25.487 355 HB3 LEU 43 1HB LEU 43 -8.039 10.220 -26.095 356 HG LEU 43 HG LEU 43 -10.975 9.401 -26.077 357 HD11 LEU 43 1HD1 LEU 43 -11.253 11.014 -24.242 358 HD12 LEU 43 2HD1 LEU 43 -9.512 11.309 -24.223 359 HD13 LEU 43 3HD1 LEU 43 -10.147 9.715 -23.804 360 HD21 LEU 43 1HD2 LEU 43 -10.551 10.994 -27.889 361 HD22 LEU 43 2HD2 LEU 43 -9.764 12.103 -26.763 362 HD23 LEU 43 3HD2 LEU 43 -11.489 11.751 -26.604 Start of MODEL 20 1 HA ARG 1 HA ARG 1 5.020 -2.718 -6.635 2 HB2 ARG 1 2HB ARG 1 4.151 -4.995 -6.811 3 HB3 ARG 1 1HB ARG 1 5.720 -5.016 -6.029 4 HG2 ARG 1 2HG ARG 1 3.125 -5.161 -4.456 5 HG3 ARG 1 1HG ARG 1 3.916 -6.598 -5.097 6 HD2 ARG 1 2HD ARG 1 5.901 -6.148 -3.747 7 HD3 ARG 1 1HD ARG 1 5.201 -4.633 -3.166 8 HE ARG 1 HE ARG 1 3.723 -7.111 -2.631 9 HH11 ARG 1 1HH1 ARG 1 5.842 -4.623 -1.311 10 HH12 ARG 1 2HH1 ARG 1 5.411 -4.973 0.331 11 HH21 ARG 1 1HH2 ARG 1 3.195 -7.552 -0.462 12 HH22 ARG 1 2HH2 ARG 1 3.926 -6.621 0.809 13 H LYS 2 H LYS 2 3.585 -1.652 -3.925 14 HA LYS 2 HA LYS 2 0.814 -2.283 -4.353 15 HB2 LYS 2 2HB LYS 2 1.675 -1.815 -2.100 16 HB3 LYS 2 1HB LYS 2 2.130 -0.188 -2.571 17 HG2 LYS 2 2HG LYS 2 -0.770 -0.880 -2.877 18 HG3 LYS 2 1HG LYS 2 -0.168 -0.805 -1.224 19 HD2 LYS 2 2HD LYS 2 0.638 1.523 -1.650 20 HD3 LYS 2 1HD LYS 2 -0.032 1.439 -3.280 21 HE2 LYS 2 2HE LYS 2 -2.290 1.182 -2.359 22 HE3 LYS 2 1HE LYS 2 -1.643 1.188 -0.717 23 HZ1 LYS 2 1HZ LYS 2 -0.758 3.456 -1.250 24 HZ2 LYS 2 2HZ LYS 2 -2.437 3.335 -1.134 25 HZ3 LYS 2 3HZ LYS 2 -1.705 3.429 -2.655 26 H TRP 3 H TRP 3 0.405 -1.701 -6.466 27 HA TRP 3 HA TRP 3 -0.201 1.160 -6.924 28 HB2 TRP 3 2HB TRP 3 1.103 -0.730 -8.953 29 HB3 TRP 3 1HB TRP 3 0.490 0.871 -9.335 30 HD1 TRP 3 HD1 TRP 3 1.807 2.712 -7.218 31 HE1 TRP 3 HE1 TRP 3 4.352 3.050 -7.173 32 HE3 TRP 3 HE3 TRP 3 3.255 -1.569 -9.626 33 HZ2 TRP 3 HZ2 TRP 3 6.665 1.701 -8.032 34 HZ3 TRP 3 HZ3 TRP 3 5.659 -1.966 -9.974 35 HH2 TRP 3 HH2 TRP 3 7.332 -0.362 -9.192 36 H GLU 4 H GLU 4 -1.799 -1.211 -6.050 37 HA GLU 4 HA GLU 4 -3.190 -2.393 -8.230 38 HB2 GLU 4 2HB GLU 4 -4.767 -3.263 -6.498 39 HB3 GLU 4 1HB GLU 4 -3.073 -3.545 -6.100 40 HG2 GLU 4 2HG GLU 4 -3.143 -1.580 -4.562 41 HG3 GLU 4 1HG GLU 4 -4.862 -1.394 -4.914 42 H GLU 5 H GLU 5 -4.001 0.306 -6.122 43 HA GLU 5 HA GLU 5 -6.521 1.078 -7.035 44 HB2 GLU 5 2HB GLU 5 -5.756 3.420 -6.245 45 HB3 GLU 5 1HB GLU 5 -5.670 2.125 -5.054 46 HG2 GLU 5 2HG GLU 5 -3.264 1.883 -5.430 47 HG3 GLU 5 1HG GLU 5 -3.310 3.115 -6.689 48 H ILE 6 H ILE 6 -3.358 1.628 -8.399 49 HA ILE 6 HA ILE 6 -4.204 3.656 -10.290 50 HB ILE 6 HB ILE 6 -1.504 2.247 -10.020 51 HG12 ILE 6 2HG1 ILE 6 -2.469 4.911 -8.856 52 HG13 ILE 6 1HG1 ILE 6 -2.177 3.444 -7.938 53 HG21 ILE 6 1HG2 ILE 6 -2.257 4.785 -11.534 54 HG22 ILE 6 2HG2 ILE 6 -1.747 3.255 -12.242 55 HG23 ILE 6 3HG2 ILE 6 -0.607 4.208 -11.295 56 HD11 ILE 6 1HD1 ILE 6 -0.118 5.108 -9.361 57 HD12 ILE 6 2HD1 ILE 6 0.204 3.613 -8.475 58 HD13 ILE 6 3HD1 ILE 6 -0.411 5.032 -7.625 59 H ALA 7 H ALA 7 -2.895 0.338 -10.488 60 HA ALA 7 HA ALA 7 -2.827 0.040 -13.274 61 HB1 ALA 7 1HB ALA 7 -1.544 -1.385 -11.716 62 HB2 ALA 7 2HB ALA 7 -2.508 -2.364 -12.823 63 HB3 ALA 7 3HB ALA 7 -3.040 -2.135 -11.155 64 H GLU 8 H GLU 8 -5.483 -0.164 -11.075 65 HA GLU 8 HA GLU 8 -7.280 -1.611 -12.808 66 HB2 GLU 8 2HB GLU 8 -7.616 -1.663 -10.352 67 HB3 GLU 8 1HB GLU 8 -7.844 0.084 -10.331 68 HG2 GLU 8 2HG GLU 8 -9.844 -0.335 -11.920 69 HG3 GLU 8 1HG GLU 8 -9.689 -2.036 -11.483 70 H ARG 9 H ARG 9 -7.463 1.729 -11.497 71 HA ARG 9 HA ARG 9 -9.488 2.552 -13.266 72 HB2 ARG 9 2HB ARG 9 -9.370 3.662 -11.168 73 HB3 ARG 9 1HB ARG 9 -7.668 4.057 -11.364 74 HG2 ARG 9 2HG ARG 9 -8.137 5.809 -12.910 75 HG3 ARG 9 1HG ARG 9 -9.800 5.271 -13.144 76 HD2 ARG 9 2HD ARG 9 -8.740 6.326 -10.502 77 HD3 ARG 9 1HD ARG 9 -9.514 7.346 -11.719 78 HE ARG 9 HE ARG 9 -11.253 5.238 -11.219 79 HH11 ARG 9 1HH1 ARG 9 -9.861 7.861 -9.327 80 HH12 ARG 9 2HH1 ARG 9 -11.270 8.045 -8.341 81 HH21 ARG 9 1HH2 ARG 9 -13.068 5.503 -9.910 82 HH22 ARG 9 2HH2 ARG 9 -13.079 6.702 -8.659 83 H LEU 10 H LEU 10 -6.006 3.098 -13.364 84 HA LEU 10 HA LEU 10 -5.679 4.849 -15.484 85 HB2 LEU 10 2HB LEU 10 -3.928 3.848 -13.913 86 HB3 LEU 10 1HB LEU 10 -3.946 2.412 -14.915 87 HG LEU 10 HG LEU 10 -3.131 3.769 -16.854 88 HD11 LEU 10 1HD1 LEU 10 -2.907 6.033 -14.847 89 HD12 LEU 10 2HD1 LEU 10 -3.988 5.974 -16.241 90 HD13 LEU 10 3HD1 LEU 10 -2.245 6.035 -16.484 91 HD21 LEU 10 1HD2 LEU 10 -1.384 3.905 -14.370 92 HD22 LEU 10 2HD2 LEU 10 -0.822 4.023 -16.038 93 HD23 LEU 10 3HD2 LEU 10 -1.539 2.524 -15.462 94 H ARG 11 H ARG 11 -6.196 1.377 -15.515 95 HA ARG 11 HA ARG 11 -5.957 0.905 -18.322 96 HB2 ARG 11 2HB ARG 11 -5.644 -0.797 -16.459 97 HB3 ARG 11 1HB ARG 11 -7.384 -0.762 -16.209 98 HG2 ARG 11 2HG ARG 11 -7.475 -1.432 -18.763 99 HG3 ARG 11 1HG ARG 11 -5.805 -1.934 -18.493 100 HD2 ARG 11 2HD ARG 11 -8.308 -2.976 -17.114 101 HD3 ARG 11 1HD ARG 11 -7.207 -3.861 -18.169 102 HE ARG 11 HE ARG 11 -5.541 -3.787 -16.421 103 HH11 ARG 11 1HH1 ARG 11 -8.740 -2.792 -15.352 104 HH12 ARG 11 2HH1 ARG 11 -8.475 -3.293 -13.713 105 HH21 ARG 11 1HH2 ARG 11 -5.205 -4.404 -14.258 106 HH22 ARG 11 2HH2 ARG 11 -6.470 -4.193 -13.088 107 H GLU 12 H GLU 12 -8.663 1.426 -16.081 108 HA GLU 12 HA GLU 12 -10.737 0.679 -17.867 109 HB2 GLU 12 2HB GLU 12 -11.022 2.420 -15.385 110 HB3 GLU 12 1HB GLU 12 -12.293 1.490 -16.172 111 HG2 GLU 12 2HG GLU 12 -9.921 0.423 -14.631 112 HG3 GLU 12 1HG GLU 12 -11.607 0.378 -14.145 113 H GLU 13 H GLU 13 -9.265 3.813 -17.135 114 HA GLU 13 HA GLU 13 -11.373 5.459 -18.102 115 HB2 GLU 13 2HB GLU 13 -8.441 6.072 -17.557 116 HB3 GLU 13 1HB GLU 13 -9.637 7.296 -17.945 117 HG2 GLU 13 2HG GLU 13 -9.684 5.490 -15.509 118 HG3 GLU 13 1HG GLU 13 -9.175 7.176 -15.531 119 H PHE 14 H PHE 14 -8.248 4.444 -19.580 120 HA PHE 14 HA PHE 14 -9.008 5.904 -22.060 121 HB2 PHE 14 2HB PHE 14 -6.975 6.687 -20.706 122 HB3 PHE 14 1HB PHE 14 -6.174 5.197 -21.193 123 HD1 PHE 14 HD1 PHE 14 -8.095 8.021 -22.789 124 HD2 PHE 14 HD2 PHE 14 -4.743 5.382 -23.062 125 HE1 PHE 14 HE1 PHE 14 -7.370 9.152 -24.850 126 HE2 PHE 14 HE2 PHE 14 -4.030 6.520 -25.121 127 HZ PHE 14 HZ PHE 14 -5.338 8.399 -26.019 128 H ASN 15 H ASN 15 -8.826 2.795 -20.897 129 HA ASN 15 HA ASN 15 -8.691 0.702 -21.712 130 HB2 ASN 15 2HB ASN 15 -10.456 1.436 -23.273 131 HB3 ASN 15 1HB ASN 15 -9.249 2.061 -24.391 132 HD21 ASN 15 1HD2 ASN 15 -9.162 -1.071 -22.672 133 HD22 ASN 15 2HD2 ASN 15 -9.237 -2.043 -24.091 134 H ILE 16 H ILE 16 -6.469 0.702 -21.034 135 HA ILE 16 HA ILE 16 -4.491 0.539 -23.258 136 HB ILE 16 HB ILE 16 -2.710 1.169 -21.683 137 HG12 ILE 16 2HG1 ILE 16 -4.904 1.519 -19.580 138 HG13 ILE 16 1HG1 ILE 16 -3.739 0.202 -19.598 139 HG21 ILE 16 1HG2 ILE 16 -3.299 3.553 -21.305 140 HG22 ILE 16 2HG2 ILE 16 -5.000 3.186 -21.602 141 HG23 ILE 16 3HG2 ILE 16 -3.816 3.003 -22.897 142 HD11 ILE 16 1HD1 ILE 16 -3.139 1.862 -17.973 143 HD12 ILE 16 2HD1 ILE 16 -3.132 3.124 -19.202 144 HD13 ILE 16 3HD1 ILE 16 -1.932 1.828 -19.259 145 H ASN 17 H ASN 17 -2.667 -0.990 -22.735 146 HA ASN 17 HA ASN 17 -3.702 -3.591 -22.039 147 HB2 ASN 17 2HB ASN 17 -0.818 -2.747 -22.623 148 HB3 ASN 17 1HB ASN 17 -1.405 -4.402 -22.565 149 HD21 ASN 17 1HD2 ASN 17 -2.751 -5.155 -24.264 150 HD22 ASN 17 2HD2 ASN 17 -2.797 -4.345 -25.791 151 HA PRO 18 HA PRO 18 -2.410 -4.103 -17.638 152 HB2 PRO 18 2HB PRO 18 -1.031 -6.536 -18.826 153 HB3 PRO 18 1HB PRO 18 -1.972 -6.412 -17.328 154 HG2 PRO 18 2HG PRO 18 -3.073 -7.453 -19.519 155 HG3 PRO 18 1HG PRO 18 -4.023 -6.373 -18.475 156 HD2 PRO 18 2HD PRO 18 -2.798 -5.835 -21.152 157 HD3 PRO 18 1HD PRO 18 -4.277 -5.166 -20.438 158 H GLU 19 H GLU 19 -0.014 -4.714 -20.221 159 HA GLU 19 HA GLU 19 2.274 -4.168 -18.578 160 HB2 GLU 19 2HB GLU 19 2.494 -5.691 -20.489 161 HB3 GLU 19 1HB GLU 19 2.059 -4.406 -21.613 162 HG2 GLU 19 2HG GLU 19 4.110 -3.256 -21.274 163 HG3 GLU 19 1HG GLU 19 4.482 -4.164 -19.812 164 H GLU 20 H GLU 20 0.278 -2.195 -20.754 165 HA GLU 20 HA GLU 20 2.050 0.051 -20.802 166 HB2 GLU 20 2HB GLU 20 -0.928 -0.049 -21.371 167 HB3 GLU 20 1HB GLU 20 0.122 1.327 -21.709 168 HG2 GLU 20 2HG GLU 20 0.221 -1.419 -22.988 169 HG3 GLU 20 1HG GLU 20 -0.269 0.096 -23.742 170 H ALA 21 H ALA 21 -0.458 -1.027 -18.623 171 HA ALA 21 HA ALA 21 -0.730 1.297 -17.026 172 HB1 ALA 21 1HB ALA 21 -1.646 -0.234 -15.312 173 HB2 ALA 21 2HB ALA 21 -1.050 -1.622 -16.225 174 HB3 ALA 21 3HB ALA 21 -2.311 -0.595 -16.907 175 H ARG 22 H ARG 22 1.600 -1.357 -17.043 176 HA ARG 22 HA ARG 22 3.004 -0.595 -14.638 177 HB2 ARG 22 2HB ARG 22 3.909 -2.476 -16.861 178 HB3 ARG 22 1HB ARG 22 4.594 -2.365 -15.239 179 HG2 ARG 22 2HG ARG 22 2.417 -3.116 -14.299 180 HG3 ARG 22 1HG ARG 22 1.797 -3.297 -15.942 181 HD2 ARG 22 2HD ARG 22 4.110 -4.826 -14.710 182 HD3 ARG 22 1HD ARG 22 2.499 -5.457 -15.045 183 HE ARG 22 HE ARG 22 4.111 -4.458 -17.302 184 HH11 ARG 22 1HH1 ARG 22 2.733 -7.219 -15.629 185 HH12 ARG 22 2HH1 ARG 22 3.102 -8.332 -16.909 186 HH21 ARG 22 1HH2 ARG 22 4.620 -5.958 -18.963 187 HH22 ARG 22 2HH2 ARG 22 4.155 -7.621 -18.783 188 H GLU 23 H GLU 23 3.493 -0.231 -18.108 189 HA GLU 23 HA GLU 23 5.988 0.984 -18.339 190 HB2 GLU 23 2HB GLU 23 4.715 0.238 -20.293 191 HB3 GLU 23 1HB GLU 23 3.408 1.350 -19.934 192 HG2 GLU 23 2HG GLU 23 4.611 2.178 -21.831 193 HG3 GLU 23 1HG GLU 23 4.927 3.259 -20.476 194 H ALA 24 H ALA 24 2.852 2.275 -17.555 195 HA ALA 24 HA ALA 24 3.589 5.025 -17.405 196 HB1 ALA 24 1HB ALA 24 1.121 3.600 -16.353 197 HB2 ALA 24 2HB ALA 24 1.329 4.241 -17.977 198 HB3 ALA 24 3HB ALA 24 1.313 5.342 -16.610 199 H VAL 25 H VAL 25 2.591 2.670 -14.855 200 HA VAL 25 HA VAL 25 2.712 4.686 -12.874 201 HB VAL 25 HB VAL 25 1.085 2.802 -12.807 202 HG11 VAL 25 1HG1 VAL 25 1.727 0.602 -11.908 203 HG12 VAL 25 2HG1 VAL 25 3.423 1.085 -11.892 204 HG13 VAL 25 3HG1 VAL 25 2.571 0.924 -13.427 205 HG21 VAL 25 1HG2 VAL 25 2.814 3.090 -10.332 206 HG22 VAL 25 2HG2 VAL 25 1.140 2.530 -10.362 207 HG23 VAL 25 3HG2 VAL 25 1.523 4.186 -10.829 208 H GLU 26 H GLU 26 4.992 2.083 -13.691 209 HA GLU 26 HA GLU 26 6.638 2.268 -11.364 210 HB2 GLU 26 2HB GLU 26 7.391 1.307 -14.159 211 HB3 GLU 26 1HB GLU 26 8.323 1.016 -12.688 212 HG2 GLU 26 2HG GLU 26 6.422 -0.289 -11.762 213 HG3 GLU 26 1HG GLU 26 5.525 -0.012 -13.257 214 H LYS 27 H LYS 27 6.701 3.793 -14.527 215 HA LYS 27 HA LYS 27 9.050 5.420 -14.038 216 HB2 LYS 27 2HB LYS 27 7.024 5.320 -16.305 217 HB3 LYS 27 1HB LYS 27 8.440 6.373 -16.307 218 HG2 LYS 27 2HG LYS 27 9.927 4.428 -16.253 219 HG3 LYS 27 1HG LYS 27 8.546 3.338 -16.136 220 HD2 LYS 27 2HD LYS 27 9.515 3.451 -18.435 221 HD3 LYS 27 1HD LYS 27 7.815 3.910 -18.369 222 HE2 LYS 27 2HE LYS 27 8.441 6.288 -18.485 223 HE3 LYS 27 1HE LYS 27 10.149 5.842 -18.504 224 HZ1 LYS 27 1HZ LYS 27 9.887 4.815 -20.601 225 HZ2 LYS 27 2HZ LYS 27 9.154 6.337 -20.713 226 HZ3 LYS 27 3HZ LYS 27 8.203 4.945 -20.549 227 H ALA 28 H ALA 28 5.706 5.687 -13.397 228 HA ALA 28 HA ALA 28 5.665 8.601 -13.091 229 HB1 ALA 28 1HB ALA 28 3.310 8.263 -12.430 230 HB2 ALA 28 2HB ALA 28 3.540 6.512 -12.470 231 HB3 ALA 28 3HB ALA 28 3.661 7.451 -13.958 232 H GLY 29 H GLY 29 6.749 5.968 -11.314 233 HA2 GLY 29 2HA GLY 29 7.610 5.863 -9.160 234 HA3 GLY 29 1HA GLY 29 6.881 7.422 -8.788 235 H GLY 30 H GLY 30 4.434 7.403 -8.733 236 HA2 GLY 30 2HA GLY 30 2.892 5.064 -8.436 237 HA3 GLY 30 1HA GLY 30 3.397 5.598 -6.834 238 H ASN 31 H ASN 31 2.129 7.033 -9.861 239 HA ASN 31 HA ASN 31 -0.113 8.241 -8.430 240 HB2 ASN 31 2HB ASN 31 1.729 9.916 -8.180 241 HB3 ASN 31 1HB ASN 31 1.888 10.006 -9.932 242 HD21 ASN 31 1HD2 ASN 31 -0.203 10.726 -7.198 243 HD22 ASN 31 2HD2 ASN 31 -1.168 11.910 -8.009 244 H GLU 32 H GLU 32 -1.876 8.390 -9.688 245 HA GLU 32 HA GLU 32 -1.975 7.025 -12.185 246 HB2 GLU 32 2HB GLU 32 -4.120 8.629 -10.723 247 HB3 GLU 32 1HB GLU 32 -4.420 7.574 -12.106 248 HG2 GLU 32 2HG GLU 32 -3.780 5.618 -10.859 249 HG3 GLU 32 1HG GLU 32 -3.186 6.595 -9.524 250 H GLU 33 H GLU 33 -2.106 10.445 -11.292 251 HA GLU 33 HA GLU 33 -2.901 11.396 -13.882 252 HB2 GLU 33 2HB GLU 33 -3.337 12.630 -11.748 253 HB3 GLU 33 1HB GLU 33 -1.610 12.940 -11.604 254 HG2 GLU 33 2HG GLU 33 -1.637 14.283 -13.643 255 HG3 GLU 33 1HG GLU 33 -3.335 13.893 -13.911 256 H GLU 34 H GLU 34 0.163 11.046 -12.200 257 HA GLU 34 HA GLU 34 1.848 12.119 -14.243 258 HB2 GLU 34 2HB GLU 34 2.430 11.894 -11.785 259 HB3 GLU 34 1HB GLU 34 2.547 10.157 -12.018 260 HG2 GLU 34 2HG GLU 34 4.757 11.086 -11.994 261 HG3 GLU 34 1HG GLU 34 4.414 10.516 -13.624 262 H ALA 35 H ALA 35 0.224 9.116 -13.803 263 HA ALA 35 HA ALA 35 1.904 7.558 -15.607 264 HB1 ALA 35 1HB ALA 35 0.425 5.701 -14.978 265 HB2 ALA 35 2HB ALA 35 -0.620 6.815 -14.092 266 HB3 ALA 35 3HB ALA 35 1.037 6.537 -13.551 267 H ARG 36 H ARG 36 -1.255 9.189 -15.647 268 HA ARG 36 HA ARG 36 -2.286 7.805 -17.941 269 HB2 ARG 36 2HB ARG 36 -4.167 9.340 -17.890 270 HB3 ARG 36 1HB ARG 36 -3.788 8.842 -16.245 271 HG2 ARG 36 2HG ARG 36 -2.637 10.998 -15.868 272 HG3 ARG 36 1HG ARG 36 -3.042 11.501 -17.508 273 HD2 ARG 36 2HD ARG 36 -4.603 12.528 -15.956 274 HD3 ARG 36 1HD ARG 36 -5.466 11.327 -16.920 275 HE ARG 36 HE ARG 36 -5.082 9.798 -14.895 276 HH11 ARG 36 1HH1 ARG 36 -5.526 13.270 -14.580 277 HH12 ARG 36 2HH1 ARG 36 -6.230 13.156 -13.001 278 HH21 ARG 36 1HH2 ARG 36 -6.010 9.669 -12.811 279 HH22 ARG 36 2HH2 ARG 36 -6.501 11.124 -12.001 280 H ARG 37 H ARG 37 -0.335 10.648 -17.490 281 HA ARG 37 HA ARG 37 -0.544 11.659 -20.177 282 HB2 ARG 37 2HB ARG 37 1.342 13.137 -19.544 283 HB3 ARG 37 1HB ARG 37 0.050 13.175 -18.348 284 HG2 ARG 37 2HG ARG 37 1.318 11.750 -16.846 285 HG3 ARG 37 1HG ARG 37 2.577 11.518 -18.061 286 HD2 ARG 37 2HD ARG 37 1.869 14.181 -16.777 287 HD3 ARG 37 1HD ARG 37 3.226 13.152 -16.303 288 HE ARG 37 HE ARG 37 3.093 14.032 -19.094 289 HH11 ARG 37 1HH1 ARG 37 4.649 14.430 -15.953 290 HH12 ARG 37 2HH1 ARG 37 5.950 15.371 -16.612 291 HH21 ARG 37 1HH2 ARG 37 4.813 15.228 -19.905 292 HH22 ARG 37 2HH2 ARG 37 6.042 15.818 -18.834 293 H ILE 38 H ILE 38 1.176 9.043 -18.762 294 HA ILE 38 HA ILE 38 3.314 8.947 -20.752 295 HB ILE 38 HB ILE 38 2.495 6.936 -18.599 296 HG12 ILE 38 2HG1 ILE 38 4.771 8.971 -18.680 297 HG13 ILE 38 1HG1 ILE 38 3.335 9.070 -17.671 298 HG21 ILE 38 1HG2 ILE 38 3.651 5.761 -20.428 299 HG22 ILE 38 2HG2 ILE 38 4.670 5.814 -18.991 300 HG23 ILE 38 3HG2 ILE 38 4.991 6.905 -20.340 301 HD11 ILE 38 1HD1 ILE 38 4.082 7.090 -16.437 302 HD12 ILE 38 2HD1 ILE 38 5.269 8.393 -16.393 303 HD13 ILE 38 3HD1 ILE 38 5.525 7.006 -17.452 304 H VAL 39 H VAL 39 0.151 7.473 -20.183 305 HA VAL 39 HA VAL 39 0.512 5.468 -22.286 306 HB VAL 39 HB VAL 39 -1.669 4.557 -21.561 307 HG11 VAL 39 1HG1 VAL 39 -0.965 3.782 -19.328 308 HG12 VAL 39 2HG1 VAL 39 0.258 5.050 -19.278 309 HG13 VAL 39 3HG1 VAL 39 0.370 3.767 -20.483 310 HG21 VAL 39 1HG2 VAL 39 -2.836 5.441 -19.559 311 HG22 VAL 39 2HG2 VAL 39 -2.817 6.628 -20.862 312 HG23 VAL 39 3HG2 VAL 39 -1.711 6.803 -19.498 313 H LYS 40 H LYS 40 0.386 8.276 -23.116 314 HA LYS 40 HA LYS 40 -2.133 8.717 -24.424 315 HB2 LYS 40 2HB LYS 40 0.557 9.963 -25.129 316 HB3 LYS 40 1HB LYS 40 -1.031 10.560 -25.600 317 HG2 LYS 40 2HG LYS 40 0.179 10.530 -22.820 318 HG3 LYS 40 1HG LYS 40 -0.172 11.943 -23.817 319 HD2 LYS 40 2HD LYS 40 -2.238 10.056 -22.609 320 HD3 LYS 40 1HD LYS 40 -1.811 11.647 -21.983 321 HE2 LYS 40 2HE LYS 40 -2.665 12.698 -24.045 322 HE3 LYS 40 1HE LYS 40 -3.074 11.109 -24.697 323 HZ1 LYS 40 1HZ LYS 40 -4.992 12.224 -23.742 324 HZ2 LYS 40 2HZ LYS 40 -4.226 12.310 -22.237 325 HZ3 LYS 40 3HZ LYS 40 -4.636 10.804 -22.889 326 H LYS 41 H LYS 41 -2.538 6.761 -25.420 327 HA LYS 41 HA LYS 41 -0.917 5.525 -27.404 328 HB2 LYS 41 2HB LYS 41 -3.922 5.333 -26.922 329 HB3 LYS 41 1HB LYS 41 -3.005 4.260 -27.979 330 HG2 LYS 41 2HG LYS 41 -1.790 3.341 -26.080 331 HG3 LYS 41 1HG LYS 41 -2.534 4.511 -24.983 332 HD2 LYS 41 2HD LYS 41 -3.627 2.300 -24.796 333 HD3 LYS 41 1HD LYS 41 -4.749 3.528 -25.384 334 HE2 LYS 41 2HE LYS 41 -4.315 2.683 -27.735 335 HE3 LYS 41 1HE LYS 41 -3.379 1.367 -27.017 336 HZ1 LYS 41 1HZ LYS 41 -6.245 1.943 -26.539 337 HZ2 LYS 41 2HZ LYS 41 -5.370 0.704 -25.796 338 HZ3 LYS 41 3HZ LYS 41 -5.625 0.675 -27.470 339 H ARG 42 H ARG 42 -0.831 5.860 -29.567 340 HA ARG 42 HA ARG 42 -2.254 8.044 -30.840 341 HB2 ARG 42 2HB ARG 42 0.134 7.379 -31.404 342 HB3 ARG 42 1HB ARG 42 -0.494 5.903 -32.119 343 HG2 ARG 42 2HG ARG 42 -0.011 7.502 -33.871 344 HG3 ARG 42 1HG ARG 42 -1.759 7.268 -33.780 345 HD2 ARG 42 2HD ARG 42 -1.174 9.645 -34.084 346 HD3 ARG 42 1HD ARG 42 -1.992 9.382 -32.540 347 HE ARG 42 HE ARG 42 0.817 9.250 -32.178 348 HH11 ARG 42 1HH1 ARG 42 -1.666 11.653 -32.820 349 HH12 ARG 42 2HH1 ARG 42 -0.808 12.924 -32.012 350 HH21 ARG 42 1HH2 ARG 42 1.938 10.949 -31.149 351 HH22 ARG 42 2HH2 ARG 42 1.227 12.529 -31.079 352 H LEU 43 H LEU 43 -2.608 4.612 -30.395 353 HA LEU 43 HA LEU 43 -4.731 4.213 -32.314 354 HB2 LEU 43 2HB LEU 43 -3.261 2.343 -31.581 355 HB3 LEU 43 1HB LEU 43 -3.839 2.524 -29.934 356 HG LEU 43 HG LEU 43 -6.146 1.867 -30.691 357 HD11 LEU 43 1HD1 LEU 43 -4.832 1.287 -33.365 358 HD12 LEU 43 2HD1 LEU 43 -6.017 2.557 -33.046 359 HD13 LEU 43 3HD1 LEU 43 -6.483 0.865 -32.905 360 HD21 LEU 43 1HD2 LEU 43 -3.995 -0.181 -31.336 361 HD22 LEU 43 2HD2 LEU 43 -5.684 -0.531 -30.968 362 HD23 LEU 43 3HD2 LEU 43 -4.645 0.171 -29.731
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