NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6870 | 1jo6 | 5092 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 9.352 -8.777 -18.123 2 HA MET 1 HA MET 1 10.014 -10.394 -20.361 3 1HB MET 1 1HB MET 1 11.764 -8.540 -20.686 4 2HB MET 1 2HB MET 1 10.111 -7.966 -20.587 5 1HG MET 1 1HG MET 1 11.319 -8.148 -17.915 6 2HG MET 1 2HG MET 1 12.289 -7.143 -18.974 7 1HE MET 1 1HE MET 1 9.282 -5.572 -16.517 8 2HE MET 1 2HE MET 1 10.520 -6.845 -16.390 9 3HE MET 1 3HE MET 1 11.002 -5.163 -16.720 10 H PHE 2 H PHE 2 11.399 -12.106 -20.331 11 HA PHE 2 HA PHE 2 12.869 -12.786 -18.065 12 1HB PHE 2 1HB PHE 2 13.515 -14.629 -19.460 13 2HB PHE 2 2HB PHE 2 12.006 -14.119 -20.191 14 HD1 PHE 2 HD1 PHE 2 12.770 -11.786 -21.760 15 HD2 PHE 2 HD2 PHE 2 14.853 -15.434 -21.165 16 HE1 PHE 2 HE1 PHE 2 13.939 -11.477 -23.959 17 HE2 PHE 2 HE2 PHE 2 16.022 -15.126 -23.364 18 HZ PHE 2 HZ PHE 2 15.551 -13.151 -24.735 19 H ILE 3 H ILE 3 15.414 -13.564 -18.915 20 HA ILE 3 HA ILE 3 16.663 -10.993 -19.593 21 HB ILE 3 HB ILE 3 16.830 -12.476 -17.168 22 1HG1 ILE 3 1HG1 ILE 3 16.710 -10.112 -17.146 23 2HG1 ILE 3 2HG1 ILE 3 18.297 -10.531 -16.532 24 1HG2 ILE 3 1HG2 ILE 3 19.457 -12.313 -18.672 25 2HG2 ILE 3 2HG2 ILE 3 19.261 -12.726 -16.951 26 3HG2 ILE 3 3HG2 ILE 3 18.593 -13.798 -18.205 27 1HD1 ILE 3 1HD1 ILE 3 18.970 -10.318 -19.129 28 2HD1 ILE 3 2HD1 ILE 3 17.543 -9.254 -19.147 29 3HD1 ILE 3 3HD1 ILE 3 18.906 -8.895 -18.061 30 H TRP 4 H TRP 4 18.585 -11.107 -20.869 31 HA TRP 4 HA TRP 4 18.815 -13.674 -22.272 32 1HB TRP 4 1HB TRP 4 19.562 -12.474 -24.170 33 2HB TRP 4 2HB TRP 4 18.098 -11.703 -23.594 34 HD1 TRP 4 HD1 TRP 4 18.298 -9.135 -22.889 35 HE1 TRP 4 HE1 TRP 4 20.170 -7.276 -22.940 36 HE3 TRP 4 HE3 TRP 4 22.154 -12.304 -23.859 37 HZ2 TRP 4 HZ2 TRP 4 22.990 -7.338 -23.371 38 HZ3 TRP 4 HZ3 TRP 4 24.435 -11.323 -24.080 39 HH2 TRP 4 HH2 TRP 4 24.885 -8.932 -23.852 40 H THR 5 H THR 5 20.372 -11.276 -20.211 41 HA THR 5 HA THR 5 23.047 -12.150 -20.777 42 HB THR 5 HB THR 5 23.628 -10.449 -19.186 43 HG1 THR 5 HG1 THR 5 20.858 -10.916 -18.331 44 1HG2 THR 5 1HG2 THR 5 22.649 -8.664 -20.231 45 2HG2 THR 5 2HG2 THR 5 21.644 -9.834 -21.120 46 3HG2 THR 5 3HG2 THR 5 21.045 -9.116 -19.605 47 H SER 6 H SER 6 23.372 -11.947 -17.617 48 HA SER 6 HA SER 6 22.224 -14.119 -16.478 49 1HB SER 6 1HB SER 6 23.144 -15.714 -17.939 50 2HB SER 6 2HB SER 6 24.642 -14.827 -18.139 51 HG SER 6 HG SER 6 25.388 -16.249 -16.710 52 H GLY 7 H GLY 7 22.456 -13.356 -14.408 53 1HA GLY 7 1HA GLY 7 24.815 -13.337 -12.997 54 2HA GLY 7 2HA GLY 7 24.665 -11.715 -13.644 55 H ARG 8 H ARG 8 22.193 -14.101 -12.447 56 HA ARG 8 HA ARG 8 20.494 -12.323 -11.402 57 1HB ARG 8 1HB ARG 8 19.563 -14.140 -10.127 58 2HB ARG 8 2HB ARG 8 20.286 -14.885 -11.539 59 1HG ARG 8 1HG ARG 8 22.444 -15.028 -9.946 60 2HG ARG 8 2HG ARG 8 21.242 -14.918 -8.675 61 1HD ARG 8 1HD ARG 8 20.015 -16.869 -9.690 62 2HD ARG 8 2HD ARG 8 21.252 -16.990 -10.925 63 HE ARG 8 HE ARG 8 22.344 -17.038 -8.208 64 1HH1 ARG 8 2HH2 ARG 8 20.964 -18.994 -10.788 65 2HH1 ARG 8 1HH2 ARG 8 21.692 -20.465 -10.236 66 1HH2 ARG 8 2HH1 ARG 8 23.305 -18.979 -7.479 67 2HH2 ARG 8 1HH1 ARG 8 23.032 -20.457 -8.341 68 H THR 9 H THR 9 20.262 -11.140 -9.452 69 HA THR 9 HA THR 9 22.574 -11.286 -7.628 70 HB THR 9 HB THR 9 21.773 -8.761 -7.282 71 HG1 THR 9 HG1 THR 9 21.002 -9.437 -10.024 72 1HG2 THR 9 1HG2 THR 9 23.955 -9.120 -8.283 73 2HG2 THR 9 2HG2 THR 9 23.232 -9.825 -9.749 74 3HG2 THR 9 3HG2 THR 9 23.057 -8.085 -9.419 75 H SER 10 H SER 10 21.585 -9.677 -5.582 76 HA SER 10 HA SER 10 19.865 -11.579 -4.369 77 1HB SER 10 1HB SER 10 20.090 -10.123 -2.364 78 2HB SER 10 2HB SER 10 21.647 -10.515 -3.068 79 HG SER 10 HG SER 10 21.900 -8.372 -2.928 80 H SER 11 H SER 11 17.941 -10.550 -2.939 81 HA SER 11 HA SER 11 16.073 -9.653 -4.791 82 1HB SER 11 1HB SER 11 16.107 -9.904 -1.770 83 2HB SER 11 2HB SER 11 14.726 -9.187 -2.577 84 HG SER 11 HG SER 11 15.200 -11.785 -2.220 85 H SER 12 H SER 12 16.223 -7.879 -1.711 86 HA SER 12 HA SER 12 16.520 -5.784 -1.204 87 1HB SER 12 1HB SER 12 18.450 -6.159 -3.231 88 2HB SER 12 2HB SER 12 17.623 -4.684 -3.690 89 HG SER 12 HG SER 12 18.308 -3.658 -1.871 90 H TYR 13 H TYR 13 14.434 -6.981 -3.361 91 HA TYR 13 HA TYR 13 13.273 -4.352 -4.001 92 1HB TYR 13 1HB TYR 13 12.473 -5.438 -6.042 93 2HB TYR 13 2HB TYR 13 14.145 -5.937 -5.883 94 HD1 TYR 13 HD1 TYR 13 10.663 -7.027 -5.843 95 HD2 TYR 13 HD2 TYR 13 14.703 -8.242 -5.131 96 HE1 TYR 13 HE1 TYR 13 9.952 -9.466 -5.924 97 HE2 TYR 13 HE2 TYR 13 13.978 -10.677 -5.215 98 HH TYR 13 HH TYR 13 10.558 -11.525 -5.669 99 H ARG 14 H ARG 14 12.604 -7.814 -3.172 100 HA ARG 14 HA ARG 14 9.944 -6.987 -2.396 101 1HB ARG 14 1HB ARG 14 11.158 -9.452 -3.420 102 2HB ARG 14 2HB ARG 14 10.261 -9.784 -1.951 103 1HG ARG 14 1HG ARG 14 8.280 -8.545 -2.943 104 2HG ARG 14 2HG ARG 14 9.182 -8.369 -4.435 105 1HD ARG 14 1HD ARG 14 8.232 -10.366 -5.024 106 2HD ARG 14 2HD ARG 14 9.445 -11.087 -3.985 107 HE ARG 14 HE ARG 14 7.365 -10.387 -2.251 108 1HH1 ARG 14 2HH2 ARG 14 7.677 -12.402 -5.119 109 2HH1 ARG 14 1HH2 ARG 14 6.412 -13.488 -4.651 110 1HH2 ARG 14 2HH1 ARG 14 5.695 -11.819 -1.632 111 2HH2 ARG 14 1HH1 ARG 14 5.276 -13.154 -2.654 112 H HIS 15 H HIS 15 13.080 -8.050 -1.146 113 HA HIS 15 HA HIS 15 12.258 -8.967 1.350 114 1HB HIS 15 1HB HIS 15 14.800 -8.022 0.117 115 2HB HIS 15 2HB HIS 15 14.735 -8.054 1.868 116 HD1 HIS 15 HD1 HIS 15 16.707 -9.960 1.032 117 HD2 HIS 15 HD2 HIS 15 12.643 -10.984 0.860 118 HE1 HIS 15 HE1 HIS 15 16.614 -12.509 0.982 119 H ASP 16 H ASP 16 14.094 -5.882 0.872 120 HA ASP 16 HA ASP 16 13.583 -4.684 3.132 121 1HB ASP 16 1HB ASP 16 12.985 -2.719 1.082 122 2HB ASP 16 2HB ASP 16 14.447 -2.898 2.031 123 HD2 ASP 16 HD2 ASP 16 16.150 -3.434 0.962 124 H GLU 17 H GLU 17 11.808 -3.755 4.244 125 HA GLU 17 HA GLU 17 9.241 -4.235 3.063 126 1HB GLU 17 1HB GLU 17 10.339 -4.000 5.745 127 2HB GLU 17 2HB GLU 17 8.960 -2.931 5.585 128 1HG GLU 17 1HG GLU 17 8.017 -5.207 4.322 129 2HG GLU 17 2HG GLU 17 9.063 -5.907 5.542 130 HE2 GLU 17 HE2 GLU 17 6.424 -6.324 6.001 131 H LYS 18 H LYS 18 11.461 -1.562 3.682 132 HA LYS 18 HA LYS 18 9.426 0.447 3.383 133 1HB LYS 18 1HB LYS 18 12.388 0.418 3.864 134 2HB LYS 18 2HB LYS 18 11.638 1.884 3.266 135 1HG LYS 18 1HG LYS 18 9.866 1.355 5.226 136 2HG LYS 18 2HG LYS 18 11.223 0.473 5.899 137 1HD LYS 18 1HD LYS 18 11.986 3.148 4.886 138 2HD LYS 18 2HD LYS 18 10.774 3.223 6.150 139 1HE LYS 18 1HE LYS 18 12.174 2.139 7.741 140 2HE LYS 18 2HE LYS 18 13.208 1.447 6.507 141 1HZ LYS 18 1HZ LYS 18 13.285 4.192 6.211 142 2HZ LYS 18 2HZ LYS 18 13.483 3.888 7.803 143 3HZ LYS 18 3HZ LYS 18 14.487 3.206 6.711 144 H ARG 19 H ARG 19 10.571 -1.757 1.273 145 HA ARG 19 HA ARG 19 10.954 0.161 -0.862 146 1HB ARG 19 1HB ARG 19 11.693 -2.724 -0.422 147 2HB ARG 19 2HB ARG 19 11.367 -2.246 -2.076 148 1HG ARG 19 1HG ARG 19 13.004 -0.184 -0.947 149 2HG ARG 19 2HG ARG 19 13.720 -1.707 -0.458 150 1HD ARG 19 1HD ARG 19 14.735 -1.392 -2.549 151 2HD ARG 19 2HD ARG 19 13.368 -2.393 -2.995 152 HE ARG 19 HE ARG 19 12.294 0.107 -3.244 153 1HH1 ARG 19 2HH2 ARG 19 15.325 -1.255 -4.404 154 2HH1 ARG 19 1HH2 ARG 19 15.405 -0.223 -5.792 155 1HH2 ARG 19 2HH1 ARG 19 12.400 1.470 -5.076 156 2HH2 ARG 19 1HH1 ARG 19 13.730 1.337 -6.177 157 H ASN 20 H ASN 20 8.551 -1.763 0.630 158 HA ASN 20 HA ASN 20 7.012 -1.763 -1.848 159 1HB ASN 20 1HB ASN 20 6.912 -3.696 0.525 160 2HB ASN 20 2HB ASN 20 5.691 -3.670 -0.732 161 1HD2 ASN 20 1HD2 ASN 20 6.332 -4.051 -2.931 162 2HD2 ASN 20 2HD2 ASN 20 7.686 -5.069 -3.295 163 H ILE 21 H ILE 21 7.264 0.479 -0.004 164 HA ILE 21 HA ILE 21 4.683 0.395 1.391 165 HB ILE 21 HB ILE 21 5.880 2.559 2.419 166 1HG1 ILE 21 1HG1 ILE 21 8.265 1.988 2.876 167 2HG1 ILE 21 2HG1 ILE 21 8.157 0.687 1.708 168 1HG2 ILE 21 1HG2 ILE 21 5.455 1.353 4.228 169 2HG2 ILE 21 2HG2 ILE 21 5.307 -0.112 3.227 170 3HG2 ILE 21 3HG2 ILE 21 6.888 0.346 3.905 171 1HD1 ILE 21 1HD1 ILE 21 8.859 3.312 1.126 172 2HD1 ILE 21 2HD1 ILE 21 8.305 2.112 -0.065 173 3HD1 ILE 21 3HD1 ILE 21 7.145 3.256 0.650 174 H TYR 22 H TYR 22 6.679 1.968 -1.080 175 HA TYR 22 HA TYR 22 5.324 4.343 -1.392 176 1HB TYR 22 1HB TYR 22 6.372 4.240 -3.614 177 2HB TYR 22 2HB TYR 22 7.447 3.378 -2.530 178 HD1 TYR 22 HD1 TYR 22 7.446 0.856 -2.526 179 HD2 TYR 22 HD2 TYR 22 5.309 3.135 -5.449 180 HE1 TYR 22 HE1 TYR 22 7.312 -1.187 -4.033 181 HE2 TYR 22 HE2 TYR 22 5.183 1.084 -6.946 182 HH TYR 22 HH TYR 22 5.393 -1.788 -6.085 183 H GLN 23 H GLN 23 4.572 1.076 -2.753 184 HA GLN 23 HA GLN 23 2.422 2.029 -4.279 185 1HB GLN 23 1HB GLN 23 3.858 -0.284 -4.236 186 2HB GLN 23 2HB GLN 23 2.435 -0.823 -3.366 187 1HG GLN 23 1HG GLN 23 1.195 0.484 -5.400 188 2HG GLN 23 2HG GLN 23 2.691 0.084 -6.221 189 1HE2 GLN 23 1HE2 GLN 23 1.952 -1.436 -7.579 190 2HE2 GLN 23 2HE2 GLN 23 1.299 -2.970 -7.109 191 H LYS 24 H LYS 24 2.830 1.776 -0.933 192 HA LYS 24 HA LYS 24 0.112 0.970 -0.366 193 1HB LYS 24 1HB LYS 24 2.529 0.763 0.987 194 2HB LYS 24 2HB LYS 24 1.695 2.038 1.853 195 1HG LYS 24 1HG LYS 24 -0.162 0.641 2.385 196 2HG LYS 24 2HG LYS 24 0.221 -0.513 1.123 197 1HD LYS 24 1HD LYS 24 1.118 -1.716 2.864 198 2HD LYS 24 2HD LYS 24 2.517 -0.701 2.576 199 1HE LYS 24 1HE LYS 24 1.677 0.927 4.295 200 2HE LYS 24 2HE LYS 24 0.298 -0.112 4.595 201 1HZ LYS 24 1HZ LYS 24 1.548 -1.515 5.758 202 2HZ LYS 24 2HZ LYS 24 2.823 -1.446 4.739 203 3HZ LYS 24 3HZ LYS 24 2.620 -0.289 5.873 204 H ILE 25 H ILE 25 2.164 3.862 0.449 205 HA ILE 25 HA ILE 25 0.161 5.500 1.277 206 HB ILE 25 HB ILE 25 2.518 6.398 -0.374 207 1HG1 ILE 25 1HG1 ILE 25 3.312 6.510 2.270 208 2HG1 ILE 25 2HG1 ILE 25 2.452 4.984 2.201 209 1HG2 ILE 25 1HG2 ILE 25 1.101 8.229 0.098 210 2HG2 ILE 25 2HG2 ILE 25 0.830 7.691 1.773 211 3HG2 ILE 25 3HG2 ILE 25 2.425 8.313 1.285 212 1HD1 ILE 25 1HD1 ILE 25 4.954 5.826 0.772 213 2HD1 ILE 25 2HD1 ILE 25 4.531 4.253 1.490 214 3HD1 ILE 25 3HD1 ILE 25 3.856 4.721 -0.089 215 H ARG 26 H ARG 26 1.331 5.016 -2.119 216 HA ARG 26 HA ARG 26 -0.299 6.842 -3.293 217 1HB ARG 26 1HB ARG 26 1.192 4.422 -4.123 218 2HB ARG 26 2HB ARG 26 -0.204 4.722 -5.137 219 1HG ARG 26 1HG ARG 26 0.867 7.275 -4.888 220 2HG ARG 26 2HG ARG 26 2.311 6.283 -4.878 221 1HD ARG 26 1HD ARG 26 1.930 6.728 -7.189 222 2HD ARG 26 2HD ARG 26 1.335 5.094 -6.968 223 HE ARG 26 HE ARG 26 -0.863 6.796 -6.470 224 1HH1 ARG 26 2HH2 ARG 26 1.273 6.048 -9.164 225 2HH1 ARG 26 1HH2 ARG 26 0.085 6.408 -10.372 226 1HH2 ARG 26 2HH1 ARG 26 -2.431 7.272 -8.063 227 2HH2 ARG 26 1HH1 ARG 26 -2.036 7.109 -9.742 228 H ASP 27 H ASP 27 -1.055 3.688 -1.897 229 HA ASP 27 HA ASP 27 -3.465 3.331 -3.318 230 1HB ASP 27 1HB ASP 27 -1.856 1.758 -1.704 231 2HB ASP 27 2HB ASP 27 -3.196 2.086 -0.622 232 HD2 ASP 27 HD2 ASP 27 -2.542 0.942 -3.806 233 H HIS 28 H HIS 28 -2.380 5.213 -0.574 234 HA HIS 28 HA HIS 28 -4.996 5.375 0.624 235 1HB HIS 28 1HB HIS 28 -2.357 5.684 1.520 236 2HB HIS 28 2HB HIS 28 -3.036 7.298 1.582 237 HD1 HIS 28 HD1 HIS 28 -3.276 7.455 4.121 238 HD2 HIS 28 HD2 HIS 28 -5.191 4.102 2.482 239 HE1 HIS 28 HE1 HIS 28 -4.675 6.442 5.999 240 H ASP 29 H ASP 29 -3.145 6.934 -1.870 241 HA ASP 29 HA ASP 29 -4.359 9.469 -1.585 242 1HB ASP 29 1HB ASP 29 -2.197 8.441 -2.986 243 2HB ASP 29 2HB ASP 29 -3.365 8.658 -4.274 244 HD2 ASP 29 HD2 ASP 29 -1.025 10.451 -2.539 245 H LEU 30 H LEU 30 -5.067 6.374 -3.171 246 HA LEU 30 HA LEU 30 -6.773 7.210 -5.185 247 1HB LEU 30 1HB LEU 30 -6.685 4.689 -3.532 248 2HB LEU 30 2HB LEU 30 -7.762 4.904 -4.897 249 HG LEU 30 HG LEU 30 -4.760 5.187 -5.134 250 1HD1 LEU 30 1HD1 LEU 30 -4.466 2.991 -5.057 251 2HD1 LEU 30 2HD1 LEU 30 -6.158 2.814 -4.535 252 3HD1 LEU 30 3HD1 LEU 30 -5.748 2.732 -6.265 253 1HD2 LEU 30 1HD2 LEU 30 -6.485 6.116 -6.869 254 2HD2 LEU 30 2HD2 LEU 30 -5.043 5.229 -7.418 255 3HD2 LEU 30 3HD2 LEU 30 -6.621 4.408 -7.353 256 H LEU 31 H LEU 31 -7.097 7.399 -1.734 257 HA LEU 31 HA LEU 31 -9.992 7.774 -2.024 258 1HB LEU 31 1HB LEU 31 -8.521 7.450 0.575 259 2HB LEU 31 2HB LEU 31 -10.228 7.234 0.242 260 HG LEU 31 HG LEU 31 -8.765 5.383 -1.383 261 1HD1 LEU 31 1HD1 LEU 31 -8.142 4.895 1.514 262 2HD1 LEU 31 2HD1 LEU 31 -7.403 4.191 0.056 263 3HD1 LEU 31 3HD1 LEU 31 -7.048 5.875 0.509 264 1HD2 LEU 31 1HD2 LEU 31 -10.623 5.051 0.986 265 2HD2 LEU 31 2HD2 LEU 31 -11.053 5.042 -0.742 266 3HD2 LEU 31 3HD2 LEU 31 -10.070 3.723 -0.063 267 H ASP 32 H ASP 32 -7.513 9.599 -2.631 268 HA ASP 32 HA ASP 32 -8.240 11.737 -0.804 269 1HB ASP 32 1HB ASP 32 -5.766 10.844 -1.947 270 2HB ASP 32 2HB ASP 32 -6.095 12.416 -2.648 271 HD2 ASP 32 HD2 ASP 32 -5.135 11.659 1.057 272 H LYS 33 H LYS 33 -8.681 10.479 -3.997 273 HA LYS 33 HA LYS 33 -8.680 12.597 -5.678 274 1HB LYS 33 1HB LYS 33 -10.090 10.023 -5.498 275 2HB LYS 33 2HB LYS 33 -10.952 11.224 -6.439 276 1HG LYS 33 1HG LYS 33 -8.549 11.667 -7.517 277 2HG LYS 33 2HG LYS 33 -8.203 10.057 -6.919 278 1HD LYS 33 1HD LYS 33 -9.438 9.080 -8.561 279 2HD LYS 33 2HD LYS 33 -10.815 10.114 -8.239 280 1HE LYS 33 1HE LYS 33 -9.531 11.976 -9.507 281 2HE LYS 33 2HE LYS 33 -8.421 10.723 -10.025 282 1HZ LYS 33 1HZ LYS 33 -10.879 11.332 -11.100 283 2HZ LYS 33 2HZ LYS 33 -9.873 10.124 -11.544 284 3HZ LYS 33 3HZ LYS 33 -11.037 9.850 -10.431 285 H ARG 34 H ARG 34 -10.897 11.942 -2.985 286 HA ARG 34 HA ARG 34 -12.655 14.026 -3.867 287 1HB ARG 34 1HB ARG 34 -12.804 12.700 -1.141 288 2HB ARG 34 2HB ARG 34 -14.117 13.306 -2.130 289 1HG ARG 34 1HG ARG 34 -13.566 11.470 -3.828 290 2HG ARG 34 2HG ARG 34 -12.438 10.813 -2.659 291 1HD ARG 34 1HD ARG 34 -14.303 9.584 -2.042 292 2HD ARG 34 2HD ARG 34 -14.587 10.986 -1.031 293 HE ARG 34 HE ARG 34 -15.809 11.679 -3.419 294 1HH1 ARG 34 2HH2 ARG 34 -16.065 8.911 -1.262 295 2HH1 ARG 34 1HH2 ARG 34 -17.721 8.592 -1.659 296 1HH2 ARG 34 2HH1 ARG 34 -17.993 11.260 -3.943 297 2HH2 ARG 34 1HH1 ARG 34 -18.825 9.938 -3.195 298 H LYS 35 H LYS 35 -10.063 13.413 -1.486 299 HA LYS 35 HA LYS 35 -10.524 15.668 0.122 300 1HB LYS 35 1HB LYS 35 -8.381 13.651 -0.255 301 2HB LYS 35 2HB LYS 35 -7.871 15.181 0.428 302 1HG LYS 35 1HG LYS 35 -8.726 14.575 2.434 303 2HG LYS 35 2HG LYS 35 -10.329 14.497 1.730 304 1HD LYS 35 1HD LYS 35 -10.277 12.197 1.499 305 2HD LYS 35 2HD LYS 35 -8.566 12.163 1.121 306 1HE LYS 35 1HE LYS 35 -8.394 11.289 3.244 307 2HE LYS 35 2HE LYS 35 -8.404 12.977 3.715 308 1HZ LYS 35 1HZ LYS 35 -10.766 11.233 3.572 309 2HZ LYS 35 2HZ LYS 35 -10.027 11.739 4.938 310 3HZ LYS 35 3HZ LYS 35 -10.796 12.815 3.979 311 H THR 36 H THR 36 -8.573 17.384 0.296 312 HA THR 36 HA THR 36 -8.854 19.084 -1.861 313 HB THR 36 HB THR 36 -6.591 18.902 0.198 314 HG1 THR 36 HG1 THR 36 -9.238 20.170 0.064 315 1HG2 THR 36 1HG2 THR 36 -6.156 20.621 -1.557 316 2HG2 THR 36 2HG2 THR 36 -7.803 21.259 -1.341 317 3HG2 THR 36 3HG2 THR 36 -6.614 21.399 -0.024 318 H VAL 37 H VAL 37 -7.095 19.959 -3.301 319 HA VAL 37 HA VAL 37 -6.157 17.826 -4.899 320 HB VAL 37 HB VAL 37 -6.895 20.191 -5.545 321 1HG1 VAL 37 1HG1 VAL 37 -5.256 21.265 -3.909 322 2HG1 VAL 37 2HG1 VAL 37 -3.979 20.864 -5.083 323 3HG1 VAL 37 3HG1 VAL 37 -5.309 21.951 -5.550 324 1HG2 VAL 37 1HG2 VAL 37 -4.353 19.732 -6.972 325 2HG2 VAL 37 2HG2 VAL 37 -5.396 18.297 -6.833 326 3HG2 VAL 37 3HG2 VAL 37 -6.023 19.783 -7.584 327 H THR 38 H THR 38 -3.643 18.227 -5.719 328 HA THR 38 HA THR 38 -2.068 17.069 -3.790 329 HB THR 38 HB THR 38 -0.906 18.897 -5.912 330 HG1 THR 38 HG1 THR 38 -2.459 16.417 -6.154 331 1HG2 THR 38 1HG2 THR 38 0.402 17.114 -4.471 332 2HG2 THR 38 2HG2 THR 38 -0.443 15.920 -5.485 333 3HG2 THR 38 3HG2 THR 38 0.644 17.114 -6.234 334 H ALA 39 H ALA 39 -0.242 17.828 -2.539 335 HA ALA 39 HA ALA 39 0.173 20.578 -2.107 336 1HB ALA 39 1HB ALA 39 -1.147 21.086 -0.329 337 2HB ALA 39 2HB ALA 39 -2.160 19.750 -0.927 338 3HB ALA 39 3HB ALA 39 -0.988 19.461 0.380 339 H LEU 40 H LEU 40 1.849 20.923 -0.427 340 HA LEU 40 HA LEU 40 3.893 20.354 0.257 341 1HB LEU 40 1HB LEU 40 2.103 18.384 1.665 342 2HB LEU 40 2HB LEU 40 3.816 18.498 2.016 343 HG LEU 40 HG LEU 40 2.471 21.102 2.094 344 1HD1 LEU 40 1HD1 LEU 40 1.493 20.420 4.444 345 2HD1 LEU 40 2HD1 LEU 40 0.542 20.213 2.953 346 3HD1 LEU 40 3HD1 LEU 40 1.371 18.816 3.681 347 1HD2 LEU 40 1HD2 LEU 40 3.937 21.526 3.784 348 2HD2 LEU 40 2HD2 LEU 40 3.834 19.878 4.447 349 3HD2 LEU 40 3HD2 LEU 40 4.804 20.192 2.988 350 H LYS 41 H LYS 41 4.974 19.813 -1.665 351 HA LYS 41 HA LYS 41 4.695 17.255 -2.842 352 1HB LYS 41 1HB LYS 41 6.088 19.752 -3.369 353 2HB LYS 41 2HB LYS 41 7.123 18.376 -3.690 354 1HG LYS 41 1HG LYS 41 4.351 17.996 -4.668 355 2HG LYS 41 2HG LYS 41 5.158 19.364 -5.408 356 1HD LYS 41 1HD LYS 41 5.908 17.701 -6.837 357 2HD LYS 41 2HD LYS 41 7.184 17.615 -5.639 358 1HE LYS 41 1HE LYS 41 6.654 15.414 -5.409 359 2HE LYS 41 2HE LYS 41 5.220 15.945 -4.553 360 1HZ LYS 41 1HZ LYS 41 4.881 14.470 -6.528 361 2HZ LYS 41 2HZ LYS 41 3.969 15.824 -6.494 362 3HZ LYS 41 3HZ LYS 41 5.272 15.743 -7.474 363 H ALA 42 H ALA 42 6.994 16.039 -3.275 364 HA ALA 42 HA ALA 42 8.775 15.968 -1.096 365 1HB ALA 42 1HB ALA 42 7.284 14.903 0.308 366 2HB ALA 42 2HB ALA 42 6.379 14.163 -1.035 367 3HB ALA 42 3HB ALA 42 7.950 13.487 -0.540 368 H GLY 43 H GLY 43 10.643 14.943 -1.759 369 1HA GLY 43 1HA GLY 43 10.574 12.870 -3.756 370 2HA GLY 43 2HA GLY 43 11.153 14.406 -4.371 371 H GLU 44 H GLU 44 13.117 15.356 -3.514 372 HA GLU 44 HA GLU 44 14.557 13.735 -1.616 373 1HB GLU 44 1HB GLU 44 15.031 13.492 -4.410 374 2HB GLU 44 2HB GLU 44 16.365 14.442 -3.789 375 1HG GLU 44 1HG GLU 44 16.241 12.526 -1.844 376 2HG GLU 44 2HG GLU 44 15.615 11.602 -3.195 377 HE2 GLU 44 HE2 GLU 44 18.655 12.482 -5.040 378 H ASP 45 H ASP 45 15.871 14.982 -0.280 379 HA ASP 45 HA ASP 45 16.637 16.771 0.678 380 1HB ASP 45 1HB ASP 45 17.734 16.748 -1.911 381 2HB ASP 45 2HB ASP 45 17.167 18.396 -1.733 382 HD2 ASP 45 HD2 ASP 45 20.167 19.081 -0.604 Start of MODEL 2 1 H MET 1 H MET 1 -2.182 -0.970 -11.056 2 HA MET 1 HA MET 1 -1.786 -2.313 -8.669 3 1HB MET 1 1HB MET 1 -2.680 0.201 -9.510 4 2HB MET 1 2HB MET 1 -4.141 -0.479 -8.820 5 1HG MET 1 1HG MET 1 -2.911 -0.981 -6.698 6 2HG MET 1 2HG MET 1 -1.443 -0.316 -7.387 7 1HE MET 1 1HE MET 1 -2.556 2.150 -4.699 8 2HE MET 1 2HE MET 1 -3.925 1.013 -4.728 9 3HE MET 1 3HE MET 1 -2.260 0.404 -4.884 10 H PHE 2 H PHE 2 -2.815 -4.313 -10.292 11 HA PHE 2 HA PHE 2 -4.885 -5.314 -8.726 12 1HB PHE 2 1HB PHE 2 -6.086 -3.483 -10.104 13 2HB PHE 2 2HB PHE 2 -5.646 -4.364 -11.553 14 HD1 PHE 2 HD1 PHE 2 -7.231 -5.154 -8.256 15 HD2 PHE 2 HD2 PHE 2 -7.322 -5.634 -12.471 16 HE1 PHE 2 HE1 PHE 2 -9.321 -6.530 -8.054 17 HE2 PHE 2 HE2 PHE 2 -9.412 -7.011 -12.269 18 HZ PHE 2 HZ PHE 2 -10.386 -7.442 -10.063 19 H ILE 3 H ILE 3 -5.206 -7.532 -9.140 20 HA ILE 3 HA ILE 3 -3.255 -8.967 -10.280 21 HB ILE 3 HB ILE 3 -4.782 -10.099 -8.965 22 1HG1 ILE 3 1HG1 ILE 3 -5.824 -11.846 -10.523 23 2HG1 ILE 3 2HG1 ILE 3 -5.146 -10.924 -11.850 24 1HG2 ILE 3 1HG2 ILE 3 -7.256 -10.128 -10.343 25 2HG2 ILE 3 2HG2 ILE 3 -6.875 -9.399 -8.765 26 3HG2 ILE 3 3HG2 ILE 3 -6.724 -8.431 -10.251 27 1HD1 ILE 3 1HD1 ILE 3 -3.667 -12.322 -9.593 28 2HD1 ILE 3 2HD1 ILE 3 -3.488 -12.560 -11.348 29 3HD1 ILE 3 3HD1 ILE 3 -2.882 -11.070 -10.586 30 H TRP 4 H TRP 4 -2.334 -8.861 -12.253 31 HA TRP 4 HA TRP 4 -4.115 -8.316 -14.522 32 1HB TRP 4 1HB TRP 4 -2.215 -7.446 -15.674 33 2HB TRP 4 2HB TRP 4 -2.349 -6.659 -14.114 34 HD1 TRP 4 HD1 TRP 4 -0.295 -6.994 -12.414 35 HE1 TRP 4 HE1 TRP 4 2.128 -8.028 -12.548 36 HE3 TRP 4 HE3 TRP 4 -1.000 -9.406 -16.835 37 HZ2 TRP 4 HZ2 TRP 4 3.450 -9.702 -14.444 38 HZ3 TRP 4 HZ3 TRP 4 0.908 -10.718 -17.758 39 HH2 TRP 4 HH2 TRP 4 3.074 -10.888 -16.638 40 H THR 5 H THR 5 -1.985 -10.607 -12.912 41 HA THR 5 HA THR 5 -1.402 -12.195 -15.199 42 HB THR 5 HB THR 5 -0.861 -13.854 -13.221 43 HG1 THR 5 HG1 THR 5 -0.917 -12.686 -11.181 44 1HG2 THR 5 1HG2 THR 5 0.751 -11.643 -12.388 45 2HG2 THR 5 2HG2 THR 5 1.214 -12.943 -13.512 46 3HG2 THR 5 3HG2 THR 5 0.495 -11.440 -14.137 47 H SER 6 H SER 6 -2.829 -13.953 -12.540 48 HA SER 6 HA SER 6 -5.426 -14.082 -13.399 49 1HB SER 6 1HB SER 6 -3.863 -15.275 -15.330 50 2HB SER 6 2HB SER 6 -4.239 -16.655 -14.318 51 HG SER 6 HG SER 6 -6.454 -16.342 -14.650 52 H GLY 7 H GLY 7 -5.458 -14.052 -11.032 53 1HA GLY 7 1HA GLY 7 -6.149 -15.422 -9.265 54 2HA GLY 7 2HA GLY 7 -5.200 -16.750 -9.903 55 H ARG 8 H ARG 8 -2.725 -16.400 -9.950 56 HA ARG 8 HA ARG 8 -1.993 -15.599 -7.347 57 1HB ARG 8 1HB ARG 8 -0.528 -16.716 -9.759 58 2HB ARG 8 2HB ARG 8 0.400 -16.099 -8.407 59 1HG ARG 8 1HG ARG 8 0.149 -18.363 -7.824 60 2HG ARG 8 2HG ARG 8 -1.157 -17.616 -6.926 61 1HD ARG 8 1HD ARG 8 -2.761 -18.703 -8.140 62 2HD ARG 8 2HD ARG 8 -1.986 -18.324 -9.666 63 HE ARG 8 HE ARG 8 -0.312 -20.248 -8.635 64 1HH1 ARG 8 2HH2 ARG 8 -3.799 -20.116 -9.087 65 2HH1 ARG 8 1HH2 ARG 8 -3.965 -21.828 -9.300 66 1HH2 ARG 8 2HH1 ARG 8 -0.530 -22.506 -8.915 67 2HH2 ARG 8 1HH1 ARG 8 -2.093 -23.196 -9.201 68 H THR 9 H THR 9 -0.408 -13.915 -6.786 69 HA THR 9 HA THR 9 -0.227 -11.809 -8.841 70 HB THR 9 HB THR 9 -0.120 -10.375 -6.591 71 HG1 THR 9 HG1 THR 9 -1.692 -12.749 -5.909 72 1HG2 THR 9 1HG2 THR 9 -2.667 -11.731 -7.618 73 2HG2 THR 9 2HG2 THR 9 -2.662 -10.387 -6.450 74 3HG2 THR 9 3HG2 THR 9 -2.046 -10.134 -8.101 75 H SER 10 H SER 10 1.553 -10.113 -7.537 76 HA SER 10 HA SER 10 3.942 -11.565 -8.054 77 1HB SER 10 1HB SER 10 3.795 -8.739 -6.954 78 2HB SER 10 2HB SER 10 5.040 -9.442 -7.969 79 HG SER 10 HG SER 10 2.513 -9.551 -9.152 80 H SER 11 H SER 11 5.655 -12.008 -6.546 81 HA SER 11 HA SER 11 4.684 -12.327 -3.873 82 1HB SER 11 1HB SER 11 6.682 -13.562 -5.571 83 2HB SER 11 2HB SER 11 7.445 -13.066 -4.073 84 HG SER 11 HG SER 11 6.620 -14.904 -3.327 85 H SER 12 H SER 12 6.091 -9.819 -5.605 86 HA SER 12 HA SER 12 7.883 -8.987 -3.521 87 1HB SER 12 1HB SER 12 7.205 -8.063 -6.302 88 2HB SER 12 2HB SER 12 7.872 -6.874 -5.200 89 HG SER 12 HG SER 12 9.699 -7.741 -6.039 90 H TYR 13 H TYR 13 5.252 -9.271 -2.554 91 HA TYR 13 HA TYR 13 4.370 -6.472 -2.328 92 1HB TYR 13 1HB TYR 13 2.135 -7.434 -2.116 93 2HB TYR 13 2HB TYR 13 2.882 -8.318 -3.432 94 HD1 TYR 13 HD1 TYR 13 3.896 -10.613 -2.939 95 HD2 TYR 13 HD2 TYR 13 1.356 -8.555 -0.179 96 HE1 TYR 13 HE1 TYR 13 3.435 -12.798 -1.723 97 HE2 TYR 13 HE2 TYR 13 0.903 -10.747 1.027 98 HH TYR 13 HH TYR 13 1.382 -13.635 -0.246 99 H ARG 14 H ARG 14 4.748 -9.638 -0.609 100 HA ARG 14 HA ARG 14 4.520 -8.178 1.876 101 1HB ARG 14 1HB ARG 14 3.945 -10.919 0.984 102 2HB ARG 14 2HB ARG 14 4.934 -10.933 2.431 103 1HG ARG 14 1HG ARG 14 2.589 -9.040 2.368 104 2HG ARG 14 2HG ARG 14 2.243 -10.749 2.537 105 1HD ARG 14 1HD ARG 14 2.487 -10.132 4.784 106 2HD ARG 14 2HD ARG 14 4.113 -10.675 4.420 107 HE ARG 14 HE ARG 14 3.809 -7.856 3.814 108 1HH1 ARG 14 2HH2 ARG 14 4.264 -10.112 6.475 109 2HH1 ARG 14 1HH2 ARG 14 5.026 -8.945 7.503 110 1HH2 ARG 14 2HH1 ARG 14 4.814 -6.315 5.169 111 2HH2 ARG 14 1HH1 ARG 14 5.341 -6.770 6.755 112 H HIS 15 H HIS 15 6.795 -9.895 -0.229 113 HA HIS 15 HA HIS 15 8.772 -10.474 1.631 114 1HB HIS 15 1HB HIS 15 8.674 -10.081 -1.337 115 2HB HIS 15 2HB HIS 15 10.240 -10.167 -0.557 116 HD1 HIS 15 HD1 HIS 15 10.020 -12.414 -2.325 117 HD2 HIS 15 HD2 HIS 15 8.143 -12.545 1.424 118 HE1 HIS 15 HE1 HIS 15 9.627 -14.881 -1.809 119 H ASP 16 H ASP 16 9.027 -7.836 -0.848 120 HA ASP 16 HA ASP 16 11.015 -6.461 0.160 121 1HB ASP 16 1HB ASP 16 9.143 -4.419 -0.422 122 2HB ASP 16 2HB ASP 16 10.312 -5.119 -1.524 123 HD2 ASP 16 HD2 ASP 16 7.698 -5.804 -3.521 124 H GLU 17 H GLU 17 11.376 -4.868 1.837 125 HA GLU 17 HA GLU 17 9.495 -5.058 3.990 126 1HB GLU 17 1HB GLU 17 12.334 -4.202 3.644 127 2HB GLU 17 2HB GLU 17 11.449 -3.366 4.904 128 1HG GLU 17 1HG GLU 17 10.816 -5.524 5.942 129 2HG GLU 17 2HG GLU 17 11.591 -6.406 4.642 130 HE2 GLU 17 HE2 GLU 17 13.919 -6.936 6.593 131 H LYS 18 H LYS 18 11.371 -2.083 3.442 132 HA LYS 18 HA LYS 18 8.909 -0.577 3.567 133 1HB LYS 18 1HB LYS 18 11.833 0.032 3.854 134 2HB LYS 18 2HB LYS 18 10.730 1.337 3.465 135 1HG LYS 18 1HG LYS 18 9.430 -0.127 5.522 136 2HG LYS 18 2HG LYS 18 11.112 -0.061 6.011 137 1HD LYS 18 1HD LYS 18 10.734 2.051 6.746 138 2HD LYS 18 2HD LYS 18 10.585 2.544 5.071 139 1HE LYS 18 1HE LYS 18 8.263 2.599 5.138 140 2HE LYS 18 2HE LYS 18 8.152 1.278 6.284 141 1HZ LYS 18 1HZ LYS 18 8.035 2.737 7.908 142 2HZ LYS 18 2HZ LYS 18 9.440 3.451 7.481 143 3HZ LYS 18 3HZ LYS 18 8.033 3.963 6.830 144 H ARG 19 H ARG 19 10.184 -2.280 1.156 145 HA ARG 19 HA ARG 19 10.379 -0.223 -0.802 146 1HB ARG 19 1HB ARG 19 10.704 -3.209 -0.713 147 2HB ARG 19 2HB ARG 19 10.257 -2.534 -2.267 148 1HG ARG 19 1HG ARG 19 12.264 -0.789 -1.407 149 2HG ARG 19 2HG ARG 19 12.820 -2.335 -0.797 150 1HD ARG 19 1HD ARG 19 13.727 -2.130 -3.022 151 2HD ARG 19 2HD ARG 19 12.430 -3.304 -3.135 152 HE ARG 19 HE ARG 19 11.131 -0.936 -3.686 153 1HH1 ARG 19 2HH2 ARG 19 14.040 -2.433 -4.980 154 2HH1 ARG 19 1HH2 ARG 19 13.864 -1.718 -6.548 155 1HH2 ARG 19 2HH1 ARG 19 10.898 0.007 -5.754 156 2HH2 ARG 19 1HH1 ARG 19 12.065 -0.321 -6.991 157 H ASN 20 H ASN 20 7.853 -1.940 0.753 158 HA ASN 20 HA ASN 20 6.137 -1.769 -1.577 159 1HB ASN 20 1HB ASN 20 6.167 -3.898 -0.216 160 2HB ASN 20 2HB ASN 20 5.624 -2.996 1.185 161 1HD2 ASN 20 1HD2 ASN 20 4.809 -4.084 -2.048 162 2HD2 ASN 20 2HD2 ASN 20 3.087 -3.953 -1.922 163 H ILE 21 H ILE 21 7.186 0.558 0.113 164 HA ILE 21 HA ILE 21 4.827 1.421 1.556 165 HB ILE 21 HB ILE 21 6.220 3.320 2.203 166 1HG1 ILE 21 1HG1 ILE 21 8.739 3.058 1.587 167 2HG1 ILE 21 2HG1 ILE 21 8.152 2.125 0.225 168 1HG2 ILE 21 1HG2 ILE 21 8.177 1.701 3.147 169 2HG2 ILE 21 2HG2 ILE 21 6.537 1.799 3.831 170 3HG2 ILE 21 3HG2 ILE 21 6.949 0.497 2.689 171 1HD1 ILE 21 1HD1 ILE 21 6.491 4.431 0.325 172 2HD1 ILE 21 2HD1 ILE 21 8.152 5.008 0.594 173 3HD1 ILE 21 3HD1 ILE 21 7.763 4.069 -0.866 174 H TYR 22 H TYR 22 6.826 2.416 -1.297 175 HA TYR 22 HA TYR 22 5.506 4.652 -2.059 176 1HB TYR 22 1HB TYR 22 6.424 4.069 -4.255 177 2HB TYR 22 2HB TYR 22 7.505 3.336 -3.087 178 HD1 TYR 22 HD1 TYR 22 6.867 0.833 -2.404 179 HD2 TYR 22 HD2 TYR 22 5.653 2.768 -6.021 180 HE1 TYR 22 HE1 TYR 22 6.508 -1.431 -3.504 181 HE2 TYR 22 HE2 TYR 22 5.298 0.498 -7.109 182 HH TYR 22 HH TYR 22 6.316 -2.437 -5.526 183 H GLN 23 H GLN 23 4.478 1.234 -2.558 184 HA GLN 23 HA GLN 23 2.285 1.988 -4.168 185 1HB GLN 23 1HB GLN 23 3.242 -0.221 -4.434 186 2HB GLN 23 2HB GLN 23 3.028 -0.592 -2.735 187 1HG GLN 23 1HG GLN 23 1.214 -1.701 -3.811 188 2HG GLN 23 2HG GLN 23 0.492 -0.262 -3.119 189 1HE2 GLN 23 1HE2 GLN 23 1.296 -1.993 -5.967 190 2HE2 GLN 23 2HE2 GLN 23 0.607 -0.925 -7.144 191 H LYS 24 H LYS 24 2.913 1.724 -0.712 192 HA LYS 24 HA LYS 24 0.231 1.396 0.106 193 1HB LYS 24 1HB LYS 24 2.698 1.272 1.311 194 2HB LYS 24 2HB LYS 24 2.068 2.775 1.954 195 1HG LYS 24 1HG LYS 24 0.991 1.439 3.464 196 2HG LYS 24 2HG LYS 24 -0.161 1.173 2.170 197 1HD LYS 24 1HD LYS 24 2.252 -0.577 2.060 198 2HD LYS 24 2HD LYS 24 1.231 -0.833 3.461 199 1HE LYS 24 1HE LYS 24 -0.628 -0.632 1.376 200 2HE LYS 24 2HE LYS 24 0.711 -1.470 0.618 201 1HZ LYS 24 1HZ LYS 24 -1.048 -2.768 1.948 202 2HZ LYS 24 2HZ LYS 24 0.521 -3.208 2.053 203 3HZ LYS 24 3HZ LYS 24 -0.165 -2.336 3.252 204 H ILE 25 H ILE 25 2.373 4.322 0.401 205 HA ILE 25 HA ILE 25 0.419 6.113 0.997 206 HB ILE 25 HB ILE 25 2.782 6.695 -0.783 207 1HG1 ILE 25 1HG1 ILE 25 3.612 7.185 1.799 208 2HG1 ILE 25 2HG1 ILE 25 2.696 5.703 1.986 209 1HG2 ILE 25 1HG2 ILE 25 2.051 8.561 1.364 210 2HG2 ILE 25 2HG2 ILE 25 2.452 8.864 -0.344 211 3HG2 ILE 25 3HG2 ILE 25 0.803 8.368 0.109 212 1HD1 ILE 25 1HD1 ILE 25 4.143 5.233 -0.358 213 2HD1 ILE 25 2HD1 ILE 25 5.287 6.144 0.656 214 3HD1 ILE 25 3HD1 ILE 25 4.567 4.633 1.263 215 H ARG 26 H ARG 26 1.532 5.095 -2.297 216 HA ARG 26 HA ARG 26 -0.042 6.772 -3.728 217 1HB ARG 26 1HB ARG 26 1.336 4.194 -4.178 218 2HB ARG 26 2HB ARG 26 -0.071 4.376 -5.207 219 1HG ARG 26 1HG ARG 26 1.099 6.895 -5.389 220 2HG ARG 26 2HG ARG 26 2.504 5.856 -5.250 221 1HD ARG 26 1HD ARG 26 2.114 5.893 -7.584 222 2HD ARG 26 2HD ARG 26 1.363 4.387 -7.094 223 HE ARG 26 HE ARG 26 -0.584 6.484 -6.910 224 1HH1 ARG 26 2HH2 ARG 26 1.193 4.641 -9.324 225 2HH1 ARG 26 1HH2 ARG 26 -0.027 4.814 -10.540 226 1HH2 ARG 26 2HH1 ARG 26 -2.195 6.713 -8.514 227 2HH2 ARG 26 1HH1 ARG 26 -1.968 6.000 -10.077 228 H ASP 27 H ASP 27 -0.916 3.927 -1.833 229 HA ASP 27 HA ASP 27 -3.391 3.523 -3.160 230 1HB ASP 27 1HB ASP 27 -1.801 2.012 -1.487 231 2HB ASP 27 2HB ASP 27 -3.038 2.538 -0.362 232 HD2 ASP 27 HD2 ASP 27 -2.528 -0.017 -1.237 233 H HIS 28 H HIS 28 -2.085 5.591 -0.654 234 HA HIS 28 HA HIS 28 -4.514 5.965 0.772 235 1HB HIS 28 1HB HIS 28 -1.817 6.524 1.184 236 2HB HIS 28 2HB HIS 28 -2.539 8.110 0.992 237 HD1 HIS 28 HD1 HIS 28 -2.405 8.812 3.449 238 HD2 HIS 28 HD2 HIS 28 -4.442 5.191 2.867 239 HE1 HIS 28 HE1 HIS 28 -3.489 8.234 5.685 240 H ASP 29 H ASP 29 -2.750 7.660 -1.871 241 HA ASP 29 HA ASP 29 -4.123 9.958 -1.986 242 1HB ASP 29 1HB ASP 29 -2.244 9.225 -3.501 243 2HB ASP 29 2HB ASP 29 -3.370 8.203 -4.371 244 HD2 ASP 29 HD2 ASP 29 -2.854 11.654 -3.684 245 H LEU 30 H LEU 30 -4.889 7.030 -4.034 246 HA LEU 30 HA LEU 30 -7.445 7.976 -4.735 247 1HB LEU 30 1HB LEU 30 -6.470 5.124 -4.820 248 2HB LEU 30 2HB LEU 30 -7.732 5.857 -5.789 249 HG LEU 30 HG LEU 30 -4.961 6.976 -5.981 250 1HD1 LEU 30 1HD1 LEU 30 -4.205 5.333 -7.513 251 2HD1 LEU 30 2HD1 LEU 30 -4.787 4.458 -6.076 252 3HD1 LEU 30 3HD1 LEU 30 -5.790 4.525 -7.545 253 1HD2 LEU 30 1HD2 LEU 30 -5.963 6.848 -8.499 254 2HD2 LEU 30 2HD2 LEU 30 -7.462 6.991 -7.551 255 3HD2 LEU 30 3HD2 LEU 30 -6.188 8.224 -7.393 256 H LEU 31 H LEU 31 -6.183 6.639 -1.828 257 HA LEU 31 HA LEU 31 -7.128 5.600 -0.080 258 1HB LEU 31 1HB LEU 31 -8.387 8.152 -0.640 259 2HB LEU 31 2HB LEU 31 -9.455 7.101 0.268 260 HG LEU 31 HG LEU 31 -6.689 7.203 1.296 261 1HD1 LEU 31 1HD1 LEU 31 -8.427 9.683 1.296 262 2HD1 LEU 31 2HD1 LEU 31 -7.045 9.424 2.387 263 3HD1 LEU 31 3HD1 LEU 31 -6.787 9.499 0.628 264 1HD2 LEU 31 1HD2 LEU 31 -7.864 7.383 3.446 265 2HD2 LEU 31 2HD2 LEU 31 -9.415 7.520 2.584 266 3HD2 LEU 31 3HD2 LEU 31 -8.462 6.021 2.470 267 H ASP 32 H ASP 32 -7.580 3.508 -0.895 268 HA ASP 32 HA ASP 32 -10.056 3.095 -2.236 269 1HB ASP 32 1HB ASP 32 -7.588 1.678 -1.848 270 2HB ASP 32 2HB ASP 32 -8.863 0.647 -1.228 271 HD2 ASP 32 HD2 ASP 32 -7.796 2.101 -4.318 272 H LYS 33 H LYS 33 -8.874 3.278 1.028 273 HA LYS 33 HA LYS 33 -10.189 1.395 2.440 274 1HB LYS 33 1HB LYS 33 -9.219 4.125 2.936 275 2HB LYS 33 2HB LYS 33 -10.521 3.644 4.005 276 1HG LYS 33 1HG LYS 33 -9.121 1.383 4.210 277 2HG LYS 33 2HG LYS 33 -7.793 2.382 3.656 278 1HD LYS 33 1HD LYS 33 -7.646 3.511 5.643 279 2HD LYS 33 2HD LYS 33 -9.385 3.679 5.787 280 1HE LYS 33 1HE LYS 33 -9.321 2.083 7.402 281 2HE LYS 33 2HE LYS 33 -8.951 0.917 6.148 282 1HZ LYS 33 1HZ LYS 33 -7.129 0.679 7.406 283 2HZ LYS 33 2HZ LYS 33 -6.570 1.941 6.533 284 3HZ LYS 33 3HZ LYS 33 -7.178 2.187 8.029 285 H ARG 34 H ARG 34 -11.572 4.161 0.692 286 HA ARG 34 HA ARG 34 -14.170 3.350 1.720 287 1HB ARG 34 1HB ARG 34 -13.845 5.920 0.184 288 2HB ARG 34 2HB ARG 34 -14.899 5.569 1.540 289 1HG ARG 34 1HG ARG 34 -12.953 5.583 3.087 290 2HG ARG 34 2HG ARG 34 -11.863 5.859 1.743 291 1HD ARG 34 1HD ARG 34 -12.359 7.990 2.904 292 2HD ARG 34 2HD ARG 34 -12.966 8.036 1.261 293 HE ARG 34 HE ARG 34 -15.038 7.040 2.974 294 1HH1 ARG 34 2HH2 ARG 34 -13.308 10.021 2.266 295 2HH1 ARG 34 1HH2 ARG 34 -14.620 11.046 2.744 296 1HH2 ARG 34 2HH1 ARG 34 -16.769 8.391 3.605 297 2HH2 ARG 34 1HH1 ARG 34 -16.602 10.113 3.511 298 H LYS 35 H LYS 35 -12.069 3.624 -1.080 299 HA LYS 35 HA LYS 35 -12.350 3.275 -3.251 300 1HB LYS 35 1HB LYS 35 -12.574 1.007 -2.513 301 2HB LYS 35 2HB LYS 35 -14.260 1.232 -2.094 302 1HG LYS 35 1HG LYS 35 -13.936 0.055 -4.297 303 2HG LYS 35 2HG LYS 35 -14.889 1.519 -4.432 304 1HD LYS 35 1HD LYS 35 -12.816 2.772 -5.132 305 2HD LYS 35 2HD LYS 35 -11.907 1.276 -5.057 306 1HE LYS 35 1HE LYS 35 -12.484 0.999 -7.246 307 2HE LYS 35 2HE LYS 35 -14.065 0.539 -6.647 308 1HZ LYS 35 1HZ LYS 35 -14.250 3.180 -6.627 309 2HZ LYS 35 2HZ LYS 35 -13.243 2.983 -7.897 310 3HZ LYS 35 3HZ LYS 35 -14.704 2.254 -7.892 311 H THR 36 H THR 36 -15.767 2.414 -2.790 312 HA THR 36 HA THR 36 -16.697 4.075 -4.772 313 HB THR 36 HB THR 36 -18.177 3.150 -2.255 314 HG1 THR 36 HG1 THR 36 -18.494 1.260 -3.777 315 1HG2 THR 36 1HG2 THR 36 -19.861 4.231 -3.453 316 2HG2 THR 36 2HG2 THR 36 -18.971 4.121 -4.991 317 3HG2 THR 36 3HG2 THR 36 -19.841 2.701 -4.362 318 H VAL 37 H VAL 37 -18.169 5.977 -4.619 319 HA VAL 37 HA VAL 37 -17.119 7.811 -2.577 320 HB VAL 37 HB VAL 37 -16.380 8.375 -4.803 321 1HG1 VAL 37 1HG1 VAL 37 -17.718 7.598 -6.457 322 2HG1 VAL 37 2HG1 VAL 37 -19.204 7.805 -5.501 323 3HG1 VAL 37 3HG1 VAL 37 -18.472 9.204 -6.322 324 1HG2 VAL 37 1HG2 VAL 37 -17.131 10.160 -3.138 325 2HG2 VAL 37 2HG2 VAL 37 -17.010 10.656 -4.843 326 3HG2 VAL 37 3HG2 VAL 37 -18.603 10.314 -4.126 327 H THR 38 H THR 38 -18.742 9.688 -2.137 328 HA THR 38 HA THR 38 -21.203 8.437 -1.335 329 HB THR 38 HB THR 38 -21.438 11.051 -0.615 330 HG1 THR 38 HG1 THR 38 -19.490 11.586 -1.846 331 1HG2 THR 38 1HG2 THR 38 -20.689 8.752 0.731 332 2HG2 THR 38 2HG2 THR 38 -19.204 9.726 0.858 333 3HG2 THR 38 3HG2 THR 38 -20.744 10.366 1.481 334 H ALA 39 H ALA 39 -23.136 10.348 -1.546 335 HA ALA 39 HA ALA 39 -23.330 11.467 -4.122 336 1HB ALA 39 1HB ALA 39 -25.388 9.690 -4.511 337 2HB ALA 39 2HB ALA 39 -23.778 9.553 -5.259 338 3HB ALA 39 3HB ALA 39 -24.151 8.643 -3.775 339 H LEU 40 H LEU 40 -25.749 12.146 -4.508 340 HA LEU 40 HA LEU 40 -26.967 12.622 -1.877 341 1HB LEU 40 1HB LEU 40 -26.543 14.531 -4.171 342 2HB LEU 40 2HB LEU 40 -27.723 14.819 -2.907 343 HG LEU 40 HG LEU 40 -25.007 14.203 -1.924 344 1HD1 LEU 40 1HD1 LEU 40 -24.297 15.451 -3.836 345 2HD1 LEU 40 2HD1 LEU 40 -25.536 16.698 -3.555 346 3HD1 LEU 40 3HD1 LEU 40 -24.183 16.514 -2.413 347 1HD2 LEU 40 1HD2 LEU 40 -26.416 16.694 -1.171 348 2HD2 LEU 40 2HD2 LEU 40 -27.269 15.174 -0.808 349 3HD2 LEU 40 3HD2 LEU 40 -25.636 15.454 -0.159 350 H LYS 41 H LYS 41 -27.823 10.382 -2.893 351 HA LYS 41 HA LYS 41 -29.601 10.413 -4.997 352 1HB LYS 41 1HB LYS 41 -28.878 8.649 -2.805 353 2HB LYS 41 2HB LYS 41 -30.598 8.570 -3.126 354 1HG LYS 41 1HG LYS 41 -29.643 8.550 -5.697 355 2HG LYS 41 2HG LYS 41 -28.301 7.780 -4.874 356 1HD LYS 41 1HD LYS 41 -30.007 6.207 -3.777 357 2HD LYS 41 2HD LYS 41 -31.220 6.889 -4.842 358 1HE LYS 41 1HE LYS 41 -30.397 5.806 -6.704 359 2HE LYS 41 2HE LYS 41 -28.726 6.021 -6.224 360 1HZ LYS 41 1HZ LYS 41 -28.931 4.237 -4.704 361 2HZ LYS 41 2HZ LYS 41 -30.544 4.116 -4.925 362 3HZ LYS 41 3HZ LYS 41 -29.522 3.715 -6.134 363 H ALA 42 H ALA 42 -32.110 9.875 -4.546 364 HA ALA 42 HA ALA 42 -33.227 12.314 -3.749 365 1HB ALA 42 1HB ALA 42 -34.196 10.736 -5.411 366 2HB ALA 42 2HB ALA 42 -34.537 9.586 -4.096 367 3HB ALA 42 3HB ALA 42 -35.358 11.165 -4.133 368 H GLY 43 H GLY 43 -35.297 12.086 -2.108 369 1HA GLY 43 1HA GLY 43 -34.338 10.752 0.341 370 2HA GLY 43 2HA GLY 43 -34.744 12.457 0.357 371 H GLU 44 H GLU 44 -36.948 13.146 0.159 372 HA GLU 44 HA GLU 44 -39.022 11.478 -0.518 373 1HB GLU 44 1HB GLU 44 -38.074 10.571 1.863 374 2HB GLU 44 2HB GLU 44 -39.182 11.792 2.458 375 1HG GLU 44 1HG GLU 44 -40.766 10.598 0.558 376 2HG GLU 44 2HG GLU 44 -39.767 9.234 1.022 377 HE2 GLU 44 HE2 GLU 44 -41.755 8.408 2.051 378 H ASP 45 H ASP 45 -40.814 12.771 -0.884 379 HA ASP 45 HA ASP 45 -40.559 15.478 -0.694 380 1HB ASP 45 1HB ASP 45 -42.797 13.545 -1.157 381 2HB ASP 45 2HB ASP 45 -43.288 15.165 -0.700 382 HD2 ASP 45 HD2 ASP 45 -43.199 13.594 -3.413 Start of MODEL 3 1 H MET 1 H MET 1 15.406 -12.484 -23.369 2 HA MET 1 HA MET 1 17.041 -13.618 -21.251 3 1HB MET 1 1HB MET 1 15.940 -10.806 -21.518 4 2HB MET 1 2HB MET 1 15.965 -11.514 -19.915 5 1HG MET 1 1HG MET 1 18.387 -11.883 -20.040 6 2HG MET 1 2HG MET 1 18.422 -11.413 -21.728 7 1HE MET 1 1HE MET 1 20.470 -9.971 -20.410 8 2HE MET 1 2HE MET 1 19.836 -9.357 -21.956 9 3HE MET 1 3HE MET 1 20.116 -8.237 -20.601 10 H PHE 2 H PHE 2 15.747 -15.383 -20.773 11 HA PHE 2 HA PHE 2 13.354 -14.918 -19.383 12 1HB PHE 2 1HB PHE 2 12.738 -14.614 -21.903 13 2HB PHE 2 2HB PHE 2 13.144 -16.305 -22.119 14 HD1 PHE 2 HD1 PHE 2 11.351 -17.735 -22.188 15 HD2 PHE 2 HD2 PHE 2 11.083 -14.279 -19.739 16 HE1 PHE 2 HE1 PHE 2 9.015 -18.379 -21.533 17 HE2 PHE 2 HE2 PHE 2 8.748 -14.924 -19.085 18 HZ PHE 2 HZ PHE 2 7.741 -16.966 -19.990 19 H ILE 3 H ILE 3 12.723 -16.768 -18.208 20 HA ILE 3 HA ILE 3 14.283 -19.183 -18.808 21 HB ILE 3 HB ILE 3 14.121 -17.572 -16.348 22 1HG1 ILE 3 1HG1 ILE 3 16.207 -17.786 -17.536 23 2HG1 ILE 3 2HG1 ILE 3 16.341 -18.589 -15.984 24 1HG2 ILE 3 1HG2 ILE 3 12.827 -19.302 -15.440 25 2HG2 ILE 3 2HG2 ILE 3 13.733 -20.563 -16.310 26 3HG2 ILE 3 3HG2 ILE 3 14.497 -19.690 -14.960 27 1HD1 ILE 3 1HD1 ILE 3 17.036 -20.435 -17.099 28 2HD1 ILE 3 2HD1 ILE 3 15.379 -20.595 -17.728 29 3HD1 ILE 3 3HD1 ILE 3 16.606 -19.712 -18.668 30 H TRP 4 H TRP 4 13.189 -21.151 -18.634 31 HA TRP 4 HA TRP 4 10.294 -20.855 -18.232 32 1HB TRP 4 1HB TRP 4 10.040 -22.799 -19.659 33 2HB TRP 4 2HB TRP 4 10.885 -21.504 -20.483 34 HD1 TRP 4 HD1 TRP 4 13.502 -21.961 -21.107 35 HE1 TRP 4 HE1 TRP 4 15.007 -24.118 -21.313 36 HE3 TRP 4 HE3 TRP 4 10.346 -25.044 -18.578 37 HZ2 TRP 4 HZ2 TRP 4 14.716 -26.812 -20.415 38 HZ3 TRP 4 HZ3 TRP 4 11.032 -27.422 -18.287 39 HH2 TRP 4 HH2 TRP 4 13.133 -28.319 -19.157 40 H THR 5 H THR 5 13.319 -22.449 -17.277 41 HA THR 5 HA THR 5 12.388 -24.673 -15.961 42 HB THR 5 HB THR 5 14.804 -23.660 -16.411 43 HG1 THR 5 HG1 THR 5 15.424 -25.250 -14.857 44 1HG2 THR 5 1HG2 THR 5 14.598 -21.685 -14.902 45 2HG2 THR 5 2HG2 THR 5 14.179 -22.761 -13.548 46 3HG2 THR 5 3HG2 THR 5 15.806 -22.828 -14.267 47 H SER 6 H SER 6 12.681 -21.308 -14.656 48 HA SER 6 HA SER 6 10.838 -22.203 -12.578 49 1HB SER 6 1HB SER 6 13.430 -20.930 -12.360 50 2HB SER 6 2HB SER 6 12.216 -19.838 -11.724 51 HG SER 6 HG SER 6 12.289 -21.039 -9.959 52 H GLY 7 H GLY 7 9.062 -21.579 -14.045 53 1HA GLY 7 1HA GLY 7 8.621 -19.345 -15.436 54 2HA GLY 7 2HA GLY 7 7.385 -20.101 -14.451 55 H ARG 8 H ARG 8 7.313 -19.457 -12.063 56 HA ARG 8 HA ARG 8 7.347 -16.644 -11.966 57 1HB ARG 8 1HB ARG 8 6.652 -18.865 -10.016 58 2HB ARG 8 2HB ARG 8 6.763 -17.217 -9.431 59 1HG ARG 8 1HG ARG 8 5.233 -17.189 -11.883 60 2HG ARG 8 2HG ARG 8 4.590 -18.459 -10.860 61 1HD ARG 8 1HD ARG 8 4.460 -16.800 -8.950 62 2HD ARG 8 2HD ARG 8 5.002 -15.542 -10.042 63 HE ARG 8 HE ARG 8 2.783 -16.811 -11.278 64 1HH1 ARG 8 2HH2 ARG 8 3.451 -14.870 -8.420 65 2HH1 ARG 8 1HH2 ARG 8 1.861 -14.188 -8.354 66 1HH2 ARG 8 2HH1 ARG 8 0.684 -15.910 -11.193 67 2HH2 ARG 8 1HH1 ARG 8 0.276 -14.783 -9.943 68 H THR 9 H THR 9 8.807 -15.252 -10.905 69 HA THR 9 HA THR 9 11.342 -16.439 -10.168 70 HB THR 9 HB THR 9 10.619 -13.491 -10.029 71 HG1 THR 9 HG1 THR 9 10.081 -13.700 -12.163 72 1HG2 THR 9 1HG2 THR 9 12.937 -14.021 -11.586 73 2HG2 THR 9 2HG2 THR 9 12.901 -13.370 -9.930 74 3HG2 THR 9 3HG2 THR 9 13.049 -15.124 -10.193 75 H SER 10 H SER 10 12.090 -14.386 -8.243 76 HA SER 10 HA SER 10 10.978 -15.717 -5.971 77 1HB SER 10 1HB SER 10 12.672 -14.416 -4.698 78 2HB SER 10 2HB SER 10 13.388 -15.281 -6.044 79 HG SER 10 HG SER 10 12.648 -12.478 -6.044 80 H SER 11 H SER 11 10.980 -13.740 -3.981 81 HA SER 11 HA SER 11 8.493 -12.608 -4.353 82 1HB SER 11 1HB SER 11 10.733 -12.070 -2.371 83 2HB SER 11 2HB SER 11 9.216 -11.197 -2.288 84 HG SER 11 HG SER 11 9.750 -13.959 -1.804 85 H SER 12 H SER 12 11.041 -10.364 -3.288 86 HA SER 12 HA SER 12 11.804 -8.486 -4.077 87 1HB SER 12 1HB SER 12 11.729 -10.014 -6.365 88 2HB SER 12 2HB SER 12 10.702 -8.676 -6.840 89 HG SER 12 HG SER 12 12.541 -7.276 -5.953 90 H TYR 13 H TYR 13 8.705 -9.266 -3.575 91 HA TYR 13 HA TYR 13 7.696 -6.618 -4.374 92 1HB TYR 13 1HB TYR 13 5.551 -7.760 -4.653 93 2HB TYR 13 2HB TYR 13 6.730 -8.810 -5.412 94 HD1 TYR 13 HD1 TYR 13 7.467 -10.901 -4.272 95 HD2 TYR 13 HD2 TYR 13 4.352 -8.442 -2.674 96 HE1 TYR 13 HE1 TYR 13 6.710 -12.816 -2.781 97 HE2 TYR 13 HE2 TYR 13 3.606 -10.366 -1.188 98 HH TYR 13 HH TYR 13 5.401 -13.426 -1.165 99 H ARG 14 H ARG 14 7.571 -9.258 -1.897 100 HA ARG 14 HA ARG 14 6.442 -7.331 -0.065 101 1HB ARG 14 1HB ARG 14 6.295 -10.228 -0.404 102 2HB ARG 14 2HB ARG 14 6.825 -9.859 1.226 103 1HG ARG 14 1HG ARG 14 4.476 -8.350 0.044 104 2HG ARG 14 2HG ARG 14 4.234 -9.969 0.668 105 1HD ARG 14 1HD ARG 14 5.641 -7.848 2.337 106 2HD ARG 14 2HD ARG 14 3.893 -7.952 2.302 107 HE ARG 14 HE ARG 14 5.097 -10.548 2.814 108 1HH1 ARG 14 2HH2 ARG 14 4.212 -7.502 4.337 109 2HH1 ARG 14 1HH2 ARG 14 4.065 -8.188 5.920 110 1HH2 ARG 14 2HH1 ARG 14 4.903 -11.455 4.903 111 2HH2 ARG 14 1HH1 ARG 14 4.461 -10.452 6.244 112 H HIS 15 H HIS 15 9.403 -9.084 -0.859 113 HA HIS 15 HA HIS 15 10.691 -9.141 1.552 114 1HB HIS 15 1HB HIS 15 11.545 -8.970 -1.305 115 2HB HIS 15 2HB HIS 15 12.762 -8.688 -0.076 116 HD1 HIS 15 HD1 HIS 15 13.498 -11.062 -1.507 117 HD2 HIS 15 HD2 HIS 15 10.544 -11.272 1.464 118 HE1 HIS 15 HE1 HIS 15 13.360 -13.512 -0.809 119 H ASP 16 H ASP 16 11.055 -6.539 -0.970 120 HA ASP 16 HA ASP 16 12.553 -4.811 0.307 121 1HB ASP 16 1HB ASP 16 10.452 -3.165 -0.643 122 2HB ASP 16 2HB ASP 16 11.904 -3.624 -1.510 123 HD2 ASP 16 HD2 ASP 16 9.348 -5.678 -0.610 124 H GLU 17 H GLU 17 12.389 -3.335 2.073 125 HA GLU 17 HA GLU 17 10.124 -3.775 3.780 126 1HB GLU 17 1HB GLU 17 12.896 -2.733 4.070 127 2HB GLU 17 2HB GLU 17 11.715 -1.945 5.097 128 1HG GLU 17 1HG GLU 17 11.125 -4.735 5.234 129 2HG GLU 17 2HG GLU 17 12.869 -4.610 5.348 130 HE2 GLU 17 HE2 GLU 17 10.135 -2.777 6.720 131 H LYS 18 H LYS 18 11.928 -0.683 3.270 132 HA LYS 18 HA LYS 18 9.395 0.709 3.240 133 1HB LYS 18 1HB LYS 18 12.281 1.485 3.537 134 2HB LYS 18 2HB LYS 18 11.111 2.701 3.064 135 1HG LYS 18 1HG LYS 18 9.793 1.405 5.151 136 2HG LYS 18 2HG LYS 18 11.464 1.342 5.676 137 1HD LYS 18 1HD LYS 18 10.674 3.978 4.560 138 2HD LYS 18 2HD LYS 18 9.763 3.523 5.986 139 1HE LYS 18 1HE LYS 18 12.575 2.885 6.399 140 2HE LYS 18 2HE LYS 18 12.430 4.550 5.874 141 1HZ LYS 18 1HZ LYS 18 10.994 3.324 8.124 142 2HZ LYS 18 2HZ LYS 18 12.206 4.414 8.225 143 3HZ LYS 18 3HZ LYS 18 10.759 4.855 7.607 144 H ARG 19 H ARG 19 10.688 -1.113 0.983 145 HA ARG 19 HA ARG 19 10.568 0.904 -1.098 146 1HB ARG 19 1HB ARG 19 11.886 -1.786 -0.824 147 2HB ARG 19 2HB ARG 19 11.332 -1.354 -2.430 148 1HG ARG 19 1HG ARG 19 12.612 0.980 -1.410 149 2HG ARG 19 2HG ARG 19 13.649 -0.359 -0.959 150 1HD ARG 19 1HD ARG 19 12.608 -0.511 -3.748 151 2HD ARG 19 2HD ARG 19 13.649 0.866 -3.445 152 HE ARG 19 HE ARG 19 14.496 -1.871 -3.655 153 1HH1 ARG 19 2HH2 ARG 19 15.137 1.044 -1.792 154 2HH1 ARG 19 1HH2 ARG 19 16.775 0.610 -1.435 155 1HH2 ARG 19 2HH1 ARG 19 16.657 -2.445 -3.185 156 2HH2 ARG 19 1HH1 ARG 19 17.646 -1.389 -2.233 157 H ASN 20 H ASN 20 8.682 -1.442 0.503 158 HA ASN 20 HA ASN 20 7.059 -1.836 -1.886 159 1HB ASN 20 1HB ASN 20 6.436 -3.956 -1.075 160 2HB ASN 20 2HB ASN 20 8.071 -3.845 -0.452 161 1HD2 ASN 20 1HD2 ASN 20 8.406 -3.160 1.727 162 2HD2 ASN 20 2HD2 ASN 20 7.211 -3.443 2.948 163 H ILE 21 H ILE 21 7.179 0.508 0.066 164 HA ILE 21 HA ILE 21 4.534 0.237 1.304 165 HB ILE 21 HB ILE 21 5.488 2.462 2.411 166 1HG1 ILE 21 1HG1 ILE 21 7.898 2.178 2.919 167 2HG1 ILE 21 2HG1 ILE 21 7.980 0.857 1.771 168 1HG2 ILE 21 1HG2 ILE 21 6.243 1.051 4.309 169 2HG2 ILE 21 2HG2 ILE 21 4.661 0.569 3.651 170 3HG2 ILE 21 3HG2 ILE 21 6.115 -0.379 3.256 171 1HD1 ILE 21 1HD1 ILE 21 6.725 3.293 0.648 172 2HD1 ILE 21 2HD1 ILE 21 8.414 3.524 1.158 173 3HD1 ILE 21 3HD1 ILE 21 8.008 2.260 -0.028 174 H TYR 22 H TYR 22 6.484 1.901 -1.124 175 HA TYR 22 HA TYR 22 5.080 4.215 -1.502 176 1HB TYR 22 1HB TYR 22 6.071 4.052 -3.747 177 2HB TYR 22 2HB TYR 22 7.181 3.234 -2.666 178 HD1 TYR 22 HD1 TYR 22 5.122 2.920 -5.594 179 HD2 TYR 22 HD2 TYR 22 7.053 0.673 -2.507 180 HE1 TYR 22 HE1 TYR 22 4.977 0.821 -7.021 181 HE2 TYR 22 HE2 TYR 22 6.901 -1.418 -3.944 182 HH TYR 22 HH TYR 22 4.900 -1.776 -6.397 183 H GLN 23 H GLN 23 4.293 0.892 -2.673 184 HA GLN 23 HA GLN 23 2.100 1.790 -4.191 185 1HB GLN 23 1HB GLN 23 3.558 -0.500 -4.152 186 2HB GLN 23 2HB GLN 23 2.189 -1.038 -3.200 187 1HG GLN 23 1HG GLN 23 0.638 -0.261 -5.019 188 2HG GLN 23 2HG GLN 23 2.022 0.229 -5.976 189 1HE2 GLN 23 1HE2 GLN 23 2.050 -1.129 -7.619 190 2HE2 GLN 23 2HE2 GLN 23 2.102 -2.858 -7.529 191 H LYS 24 H LYS 24 2.643 1.336 -0.814 192 HA LYS 24 HA LYS 24 -0.053 0.615 -0.163 193 1HB LYS 24 1HB LYS 24 2.379 0.398 1.105 194 2HB LYS 24 2HB LYS 24 1.653 1.746 1.956 195 1HG LYS 24 1HG LYS 24 0.653 0.083 3.187 196 2HG LYS 24 2HG LYS 24 -0.507 0.089 1.874 197 1HD LYS 24 1HD LYS 24 0.235 -1.922 1.014 198 2HD LYS 24 2HD LYS 24 1.913 -1.594 1.400 199 1HE LYS 24 1HE LYS 24 1.647 -2.269 3.685 200 2HE LYS 24 2HE LYS 24 -0.100 -2.149 3.610 201 1HZ LYS 24 1HZ LYS 24 0.293 -4.379 3.401 202 2HZ LYS 24 2HZ LYS 24 0.140 -3.949 1.834 203 3HZ LYS 24 3HZ LYS 24 1.622 -4.205 2.469 204 H ILE 25 H ILE 25 1.957 3.539 0.640 205 HA ILE 25 HA ILE 25 -0.077 5.142 1.460 206 HB ILE 25 HB ILE 25 2.282 6.083 -0.164 207 1HG1 ILE 25 1HG1 ILE 25 3.042 6.192 2.493 208 2HG1 ILE 25 2HG1 ILE 25 2.214 4.651 2.398 209 1HG2 ILE 25 1HG2 ILE 25 1.782 7.709 2.090 210 2HG2 ILE 25 2HG2 ILE 25 1.544 8.104 0.370 211 3HG2 ILE 25 3HG2 ILE 25 0.207 7.409 1.317 212 1HD1 ILE 25 1HD1 ILE 25 3.687 4.560 0.078 213 2HD1 ILE 25 2HD1 ILE 25 4.763 5.513 1.129 214 3HD1 ILE 25 3HD1 ILE 25 4.234 3.889 1.633 215 H ARG 26 H ARG 26 1.128 4.692 -1.927 216 HA ARG 26 HA ARG 26 -0.502 6.502 -3.115 217 1HB ARG 26 1HB ARG 26 1.002 4.088 -3.929 218 2HB ARG 26 2HB ARG 26 -0.397 4.368 -4.947 219 1HG ARG 26 1HG ARG 26 0.657 6.932 -4.711 220 2HG ARG 26 2HG ARG 26 2.106 5.947 -4.703 221 1HD ARG 26 1HD ARG 26 0.498 4.821 -6.747 222 2HD ARG 26 2HD ARG 26 0.291 6.551 -6.931 223 HE ARG 26 HE ARG 26 3.083 5.905 -6.529 224 1HH1 ARG 26 2HH2 ARG 26 0.534 5.844 -8.953 225 2HH1 ARG 26 1HH2 ARG 26 1.628 5.948 -10.291 226 1HH2 ARG 26 2HH1 ARG 26 4.528 6.043 -8.294 227 2HH2 ARG 26 1HH1 ARG 26 3.915 6.062 -9.914 228 H ASP 27 H ASP 27 -1.268 3.358 -1.706 229 HA ASP 27 HA ASP 27 -3.679 3.012 -3.140 230 1HB ASP 27 1HB ASP 27 -2.074 1.394 -1.597 231 2HB ASP 27 2HB ASP 27 -3.356 1.738 -0.453 232 HD2 ASP 27 HD2 ASP 27 -3.669 -1.155 -2.779 233 H HIS 28 H HIS 28 -2.579 4.848 -0.369 234 HA HIS 28 HA HIS 28 -5.322 5.165 0.587 235 1HB HIS 28 1HB HIS 28 -2.800 4.879 1.900 236 2HB HIS 28 2HB HIS 28 -3.410 6.482 2.260 237 HD1 HIS 28 HD1 HIS 28 -4.060 6.016 4.693 238 HD2 HIS 28 HD2 HIS 28 -5.845 3.380 1.961 239 HE1 HIS 28 HE1 HIS 28 -5.813 4.706 6.004 240 H ASP 29 H ASP 29 -3.282 6.476 -1.660 241 HA ASP 29 HA ASP 29 -3.928 9.211 -0.970 242 1HB ASP 29 1HB ASP 29 -1.676 8.008 -2.112 243 2HB ASP 29 2HB ASP 29 -2.481 8.700 -3.506 244 HD2 ASP 29 HD2 ASP 29 -1.244 9.980 -0.296 245 H LEU 30 H LEU 30 -4.590 6.549 -3.244 246 HA LEU 30 HA LEU 30 -5.707 7.956 -5.347 247 1HB LEU 30 1HB LEU 30 -6.312 5.208 -4.253 248 2HB LEU 30 2HB LEU 30 -6.942 5.818 -5.770 249 HG LEU 30 HG LEU 30 -3.990 5.946 -5.421 250 1HD1 LEU 30 1HD1 LEU 30 -3.518 3.714 -5.523 251 2HD1 LEU 30 2HD1 LEU 30 -4.983 3.666 -4.513 252 3HD1 LEU 30 3HD1 LEU 30 -5.087 3.295 -6.251 253 1HD2 LEU 30 1HD2 LEU 30 -5.306 4.772 -7.814 254 2HD2 LEU 30 2HD2 LEU 30 -5.610 6.495 -7.484 255 3HD2 LEU 30 3HD2 LEU 30 -3.942 5.909 -7.686 256 H LEU 31 H LEU 31 -6.794 7.555 -2.066 257 HA LEU 31 HA LEU 31 -9.532 8.227 -2.804 258 1HB LEU 31 1HB LEU 31 -8.494 7.735 -0.027 259 2HB LEU 31 2HB LEU 31 -10.139 7.622 -0.620 260 HG LEU 31 HG LEU 31 -8.513 5.766 -2.089 261 1HD1 LEU 31 1HD1 LEU 31 -7.816 6.027 0.757 262 2HD1 LEU 31 2HD1 LEU 31 -8.258 4.378 0.252 263 3HD1 LEU 31 3HD1 LEU 31 -6.942 5.241 -0.580 264 1HD2 LEU 31 1HD2 LEU 31 -11.013 5.775 -1.576 265 2HD2 LEU 31 2HD2 LEU 31 -10.166 4.213 -1.475 266 3HD2 LEU 31 3HD2 LEU 31 -10.575 5.100 0.012 267 H ASP 32 H ASP 32 -6.950 9.984 -2.957 268 HA ASP 32 HA ASP 32 -6.944 11.875 -1.036 269 1HB ASP 32 1HB ASP 32 -6.050 11.610 -3.782 270 2HB ASP 32 2HB ASP 32 -6.687 13.228 -3.563 271 HD2 ASP 32 HD2 ASP 32 -3.430 13.876 -2.725 272 H LYS 33 H LYS 33 -9.388 11.150 -3.451 273 HA LYS 33 HA LYS 33 -10.581 13.559 -3.924 274 1HB LYS 33 1HB LYS 33 -11.390 10.722 -3.941 275 2HB LYS 33 2HB LYS 33 -12.718 11.846 -3.736 276 1HG LYS 33 1HG LYS 33 -11.518 13.164 -5.724 277 2HG LYS 33 2HG LYS 33 -10.776 11.609 -6.044 278 1HD LYS 33 1HD LYS 33 -12.681 10.819 -6.992 279 2HD LYS 33 2HD LYS 33 -13.619 11.224 -5.568 280 1HE LYS 33 1HE LYS 33 -12.818 13.328 -7.624 281 2HE LYS 33 2HE LYS 33 -14.290 12.391 -7.780 282 1HZ LYS 33 1HZ LYS 33 -14.766 14.387 -6.635 283 2HZ LYS 33 2HZ LYS 33 -14.887 13.178 -5.544 284 3HZ LYS 33 3HZ LYS 33 -13.576 14.152 -5.541 285 H ARG 34 H ARG 34 -10.577 11.584 -0.963 286 HA ARG 34 HA ARG 34 -12.412 13.511 0.199 287 1HB ARG 34 1HB ARG 34 -11.547 11.052 1.710 288 2HB ARG 34 2HB ARG 34 -13.110 11.844 1.693 289 1HG ARG 34 1HG ARG 34 -13.547 10.988 -0.600 290 2HG ARG 34 2HG ARG 34 -11.960 10.245 -0.643 291 1HD ARG 34 1HD ARG 34 -13.557 8.510 -0.056 292 2HD ARG 34 2HD ARG 34 -12.610 8.853 1.378 293 HE ARG 34 HE ARG 34 -14.796 10.580 1.571 294 1HH1 ARG 34 2HH2 ARG 34 -14.377 7.099 1.265 295 2HH1 ARG 34 1HH2 ARG 34 -15.836 6.720 2.119 296 1HH2 ARG 34 2HH1 ARG 34 -16.720 10.080 2.698 297 2HH2 ARG 34 1HH1 ARG 34 -17.177 8.427 2.940 298 H LYS 35 H LYS 35 -9.112 12.286 0.183 299 HA LYS 35 HA LYS 35 -7.295 12.772 1.346 300 1HB LYS 35 1HB LYS 35 -7.526 14.942 0.406 301 2HB LYS 35 2HB LYS 35 -8.787 15.394 1.536 302 1HG LYS 35 1HG LYS 35 -6.529 16.368 2.108 303 2HG LYS 35 2HG LYS 35 -7.226 15.416 3.404 304 1HD LYS 35 1HD LYS 35 -5.719 13.632 3.101 305 2HD LYS 35 2HD LYS 35 -5.423 14.025 1.419 306 1HE LYS 35 1HE LYS 35 -4.069 15.966 2.028 307 2HE LYS 35 2HE LYS 35 -4.530 15.829 3.713 308 1HZ LYS 35 1HZ LYS 35 -2.371 14.693 2.586 309 2HZ LYS 35 2HZ LYS 35 -3.006 14.277 4.032 310 3HZ LYS 35 3HZ LYS 35 -3.403 13.432 2.692 311 H THR 36 H THR 36 -9.236 14.851 3.510 312 HA THR 36 HA THR 36 -9.380 14.786 5.748 313 HB THR 36 HB THR 36 -11.214 13.222 4.711 314 HG1 THR 36 HG1 THR 36 -10.947 14.164 6.978 315 1HG2 THR 36 1HG2 THR 36 -11.051 10.896 5.744 316 2HG2 THR 36 2HG2 THR 36 -9.921 11.160 4.394 317 3HG2 THR 36 3HG2 THR 36 -9.334 11.227 6.074 318 H VAL 37 H VAL 37 -9.069 12.898 7.735 319 HA VAL 37 HA VAL 37 -6.295 12.014 7.370 320 HB VAL 37 HB VAL 37 -6.691 14.236 8.648 321 1HG1 VAL 37 1HG1 VAL 37 -7.153 12.440 11.016 322 2HG1 VAL 37 2HG1 VAL 37 -7.453 14.185 10.837 323 3HG1 VAL 37 3HG1 VAL 37 -8.536 13.011 10.052 324 1HG2 VAL 37 1HG2 VAL 37 -5.095 12.592 10.459 325 2HG2 VAL 37 2HG2 VAL 37 -4.736 12.259 8.748 326 3HG2 VAL 37 3HG2 VAL 37 -4.599 13.917 9.380 327 H THR 38 H THR 38 -5.916 10.797 9.839 328 HA THR 38 HA THR 38 -7.054 8.337 9.519 329 HB THR 38 HB THR 38 -6.415 9.422 12.278 330 HG1 THR 38 HG1 THR 38 -4.399 9.968 11.507 331 1HG2 THR 38 1HG2 THR 38 -5.312 7.020 10.740 332 2HG2 THR 38 2HG2 THR 38 -5.184 7.337 12.487 333 3HG2 THR 38 3HG2 THR 38 -6.759 6.917 11.772 334 H ALA 39 H ALA 39 -8.557 7.150 11.058 335 HA ALA 39 HA ALA 39 -10.552 8.611 12.402 336 1HB ALA 39 1HB ALA 39 -10.917 8.117 9.506 337 2HB ALA 39 2HB ALA 39 -12.273 7.576 10.524 338 3HB ALA 39 3HB ALA 39 -11.738 9.273 10.582 339 H LEU 40 H LEU 40 -12.327 7.091 13.164 340 HA LEU 40 HA LEU 40 -11.118 4.471 13.559 341 1HB LEU 40 1HB LEU 40 -13.152 6.124 15.006 342 2HB LEU 40 2HB LEU 40 -13.132 4.386 15.232 343 HG LEU 40 HG LEU 40 -10.569 5.904 15.564 344 1HD1 LEU 40 1HD1 LEU 40 -12.982 6.282 17.202 345 2HD1 LEU 40 2HD1 LEU 40 -11.524 5.846 18.124 346 3HD1 LEU 40 3HD1 LEU 40 -11.511 7.275 17.064 347 1HD2 LEU 40 1HD2 LEU 40 -10.055 3.728 15.895 348 2HD2 LEU 40 2HD2 LEU 40 -10.629 4.085 17.541 349 3HD2 LEU 40 3HD2 LEU 40 -11.711 3.288 16.375 350 H LYS 41 H LYS 41 -11.659 4.192 11.110 351 HA LYS 41 HA LYS 41 -14.294 3.942 10.278 352 1HB LYS 41 1HB LYS 41 -11.640 3.340 9.277 353 2HB LYS 41 2HB LYS 41 -12.764 2.069 8.839 354 1HG LYS 41 1HG LYS 41 -13.863 4.815 8.518 355 2HG LYS 41 2HG LYS 41 -12.485 4.476 7.490 356 1HD LYS 41 1HD LYS 41 -13.607 2.425 6.631 357 2HD LYS 41 2HD LYS 41 -14.974 2.715 7.689 358 1HE LYS 41 1HE LYS 41 -14.336 5.093 6.073 359 2HE LYS 41 2HE LYS 41 -14.652 3.695 5.065 360 1HZ LYS 41 1HZ LYS 41 -16.779 3.707 5.647 361 2HZ LYS 41 2HZ LYS 41 -16.485 3.972 7.231 362 3HZ LYS 41 3HZ LYS 41 -16.528 5.227 6.188 363 H ALA 42 H ALA 42 -15.130 1.625 9.466 364 HA ALA 42 HA ALA 42 -16.024 0.285 11.664 365 1HB ALA 42 1HB ALA 42 -15.785 -1.570 9.492 366 2HB ALA 42 2HB ALA 42 -17.221 -0.658 10.017 367 3HB ALA 42 3HB ALA 42 -16.114 0.041 8.810 368 H GLY 43 H GLY 43 -15.570 -2.107 12.226 369 1HA GLY 43 1HA GLY 43 -12.870 -3.022 11.800 370 2HA GLY 43 2HA GLY 43 -13.158 -2.417 13.419 371 H GLU 44 H GLU 44 -15.580 -3.202 14.230 372 HA GLU 44 HA GLU 44 -16.250 -5.800 13.358 373 1HB GLU 44 1HB GLU 44 -14.137 -6.161 14.779 374 2HB GLU 44 2HB GLU 44 -15.077 -5.639 16.163 375 1HG GLU 44 1HG GLU 44 -16.778 -7.451 15.606 376 2HG GLU 44 2HG GLU 44 -15.696 -8.018 14.350 377 HE2 GLU 44 HE2 GLU 44 -15.913 -7.793 17.882 378 H ASP 45 H ASP 45 -16.261 -3.740 16.363 379 HA ASP 45 HA ASP 45 -18.954 -3.111 16.060 380 1HB ASP 45 1HB ASP 45 -18.630 -5.675 17.078 381 2HB ASP 45 2HB ASP 45 -18.721 -4.726 18.549 382 HD2 ASP 45 HD2 ASP 45 -21.415 -6.086 16.442 Start of MODEL 4 1 H MET 1 H MET 1 12.281 -22.048 -22.060 2 HA MET 1 HA MET 1 12.052 -22.642 -19.792 3 1HB MET 1 1HB MET 1 12.471 -20.287 -18.746 4 2HB MET 1 2HB MET 1 13.546 -20.770 -20.043 5 1HG MET 1 1HG MET 1 11.305 -19.547 -21.320 6 2HG MET 1 2HG MET 1 11.683 -18.523 -19.949 7 1HE MET 1 1HE MET 1 14.411 -16.605 -20.615 8 2HE MET 1 2HE MET 1 13.522 -17.529 -19.380 9 3HE MET 1 3HE MET 1 15.150 -18.048 -19.879 10 H PHE 2 H PHE 2 10.570 -23.149 -18.234 11 HA PHE 2 HA PHE 2 8.644 -21.333 -17.326 12 1HB PHE 2 1HB PHE 2 7.759 -22.060 -19.661 13 2HB PHE 2 2HB PHE 2 7.646 -23.691 -19.031 14 HD1 PHE 2 HD1 PHE 2 5.503 -24.327 -18.518 15 HD2 PHE 2 HD2 PHE 2 6.630 -20.293 -17.833 16 HE1 PHE 2 HE1 PHE 2 3.201 -23.831 -17.648 17 HE2 PHE 2 HE2 PHE 2 4.328 -19.798 -16.963 18 HZ PHE 2 HZ PHE 2 2.641 -21.573 -16.881 19 H ILE 3 H ILE 3 7.492 -22.155 -15.479 20 HA ILE 3 HA ILE 3 8.386 -24.837 -14.677 21 HB ILE 3 HB ILE 3 9.486 -22.849 -13.537 22 1HG1 ILE 3 1HG1 ILE 3 9.469 -23.957 -11.360 23 2HG1 ILE 3 2HG1 ILE 3 8.025 -24.852 -11.790 24 1HG2 ILE 3 1HG2 ILE 3 8.336 -21.367 -12.310 25 2HG2 ILE 3 2HG2 ILE 3 6.941 -21.892 -13.283 26 3HG2 ILE 3 3HG2 ILE 3 7.221 -22.600 -11.674 27 1HD1 ILE 3 1HD1 ILE 3 10.235 -25.091 -13.767 28 2HD1 ILE 3 2HD1 ILE 3 10.588 -25.777 -12.163 29 3HD1 ILE 3 3HD1 ILE 3 9.177 -26.349 -13.085 30 H TRP 4 H TRP 4 6.831 -26.234 -13.896 31 HA TRP 4 HA TRP 4 4.095 -25.172 -13.967 32 1HB TRP 4 1HB TRP 4 3.350 -27.330 -14.568 33 2HB TRP 4 2HB TRP 4 4.692 -26.927 -15.621 34 HD1 TRP 4 HD1 TRP 4 6.797 -28.565 -15.553 35 HE1 TRP 4 HE1 TRP 4 7.424 -30.830 -14.354 36 HE3 TRP 4 HE3 TRP 4 2.916 -28.509 -12.268 37 HZ2 TRP 4 HZ2 TRP 4 6.253 -32.311 -12.214 38 HZ3 TRP 4 HZ3 TRP 4 2.731 -30.402 -10.657 39 HH2 TRP 4 HH2 TRP 4 4.320 -32.259 -10.596 40 H THR 5 H THR 5 6.663 -26.646 -12.053 41 HA THR 5 HA THR 5 4.905 -27.513 -9.944 42 HB THR 5 HB THR 5 7.064 -28.659 -10.556 43 HG1 THR 5 HG1 THR 5 7.816 -28.499 -8.208 44 1HG2 THR 5 1HG2 THR 5 8.963 -27.157 -9.160 45 2HG2 THR 5 2HG2 THR 5 8.873 -27.289 -10.932 46 3HG2 THR 5 3HG2 THR 5 8.102 -25.916 -10.102 47 H SER 6 H SER 6 7.199 -26.368 -8.074 48 HA SER 6 HA SER 6 7.082 -24.838 -6.503 49 1HB SER 6 1HB SER 6 8.283 -23.803 -8.620 50 2HB SER 6 2HB SER 6 6.883 -22.751 -8.688 51 HG SER 6 HG SER 6 8.253 -23.075 -6.191 52 H GLY 7 H GLY 7 5.006 -25.232 -5.545 53 1HA GLY 7 1HA GLY 7 2.530 -24.595 -6.418 54 2HA GLY 7 2HA GLY 7 3.027 -24.495 -4.740 55 H ARG 8 H ARG 8 3.790 -22.436 -3.858 56 HA ARG 8 HA ARG 8 2.272 -20.324 -4.602 57 1HB ARG 8 1HB ARG 8 3.573 -19.028 -3.045 58 2HB ARG 8 2HB ARG 8 3.630 -20.672 -2.441 59 1HG ARG 8 1HG ARG 8 5.831 -20.883 -3.874 60 2HG ARG 8 2HG ARG 8 5.800 -19.131 -3.904 61 1HD ARG 8 1HD ARG 8 7.161 -19.769 -2.008 62 2HD ARG 8 2HD ARG 8 5.654 -19.155 -1.358 63 HE ARG 8 HE ARG 8 5.233 -21.271 -0.473 64 1HH1 ARG 8 2HH2 ARG 8 7.494 -21.606 -3.149 65 2HH1 ARG 8 1HH2 ARG 8 7.729 -23.305 -2.905 66 1HH2 ARG 8 2HH1 ARG 8 5.542 -23.512 -0.151 67 2HH2 ARG 8 1HH1 ARG 8 6.611 -24.396 -1.188 68 H THR 9 H THR 9 2.678 -18.343 -5.793 69 HA THR 9 HA THR 9 4.532 -18.718 -7.985 70 HB THR 9 HB THR 9 2.760 -16.296 -7.514 71 HG1 THR 9 HG1 THR 9 1.092 -17.746 -7.449 72 1HG2 THR 9 1HG2 THR 9 2.502 -17.654 -10.067 73 2HG2 THR 9 2HG2 THR 9 3.110 -16.011 -9.752 74 3HG2 THR 9 3HG2 THR 9 4.230 -17.394 -9.727 75 H SER 10 H SER 10 5.015 -15.886 -8.457 76 HA SER 10 HA SER 10 7.298 -15.703 -6.746 77 1HB SER 10 1HB SER 10 7.614 -13.538 -8.233 78 2HB SER 10 2HB SER 10 7.885 -15.126 -8.923 79 HG SER 10 HG SER 10 6.340 -13.365 -9.977 80 H SER 11 H SER 11 7.778 -13.892 -5.338 81 HA SER 11 HA SER 11 5.392 -12.762 -4.235 82 1HB SER 11 1HB SER 11 8.324 -12.723 -3.434 83 2HB SER 11 2HB SER 11 7.136 -11.746 -2.594 84 HG SER 11 HG SER 11 7.515 -14.548 -2.576 85 H SER 12 H SER 12 8.448 -10.939 -4.229 86 HA SER 12 HA SER 12 9.059 -9.041 -5.099 87 1HB SER 12 1HB SER 12 7.323 -10.102 -7.177 88 2HB SER 12 2HB SER 12 7.144 -8.360 -7.103 89 HG SER 12 HG SER 12 9.445 -8.136 -7.335 90 H TYR 13 H TYR 13 6.406 -9.606 -3.333 91 HA TYR 13 HA TYR 13 5.550 -6.789 -3.345 92 1HB TYR 13 1HB TYR 13 3.356 -7.679 -2.735 93 2HB TYR 13 2HB TYR 13 3.922 -8.713 -4.031 94 HD1 TYR 13 HD1 TYR 13 4.735 -11.009 -3.545 95 HD2 TYR 13 HD2 TYR 13 3.082 -8.521 -0.483 96 HE1 TYR 13 HE1 TYR 13 4.429 -13.042 -2.048 97 HE2 TYR 13 HE2 TYR 13 2.782 -10.561 1.004 98 HH TYR 13 HH TYR 13 2.549 -12.920 0.794 99 H ARG 14 H ARG 14 6.133 -9.742 -1.330 100 HA ARG 14 HA ARG 14 6.206 -8.013 0.982 101 1HB ARG 14 1HB ARG 14 5.524 -10.810 0.480 102 2HB ARG 14 2HB ARG 14 6.746 -10.719 1.733 103 1HG ARG 14 1HG ARG 14 4.298 -8.918 1.817 104 2HG ARG 14 2HG ARG 14 4.224 -10.559 2.429 105 1HD ARG 14 1HD ARG 14 6.567 -8.951 3.371 106 2HD ARG 14 2HD ARG 14 5.004 -8.397 3.937 107 HE ARG 14 HE ARG 14 5.239 -11.273 4.222 108 1HH1 ARG 14 2HH2 ARG 14 6.223 -8.227 5.686 109 2HH1 ARG 14 1HH2 ARG 14 6.412 -8.902 7.270 110 1HH2 ARG 14 2HH1 ARG 14 5.489 -12.164 6.312 111 2HH2 ARG 14 1HH1 ARG 14 5.992 -11.157 7.628 112 H HIS 15 H HIS 15 8.239 -9.895 -1.211 113 HA HIS 15 HA HIS 15 10.424 -10.426 0.328 114 1HB HIS 15 1HB HIS 15 9.858 -10.032 -2.534 115 2HB HIS 15 2HB HIS 15 11.525 -9.717 -2.095 116 HD1 HIS 15 HD1 HIS 15 11.504 -12.014 -3.804 117 HD2 HIS 15 HD2 HIS 15 10.491 -12.449 0.243 118 HE1 HIS 15 HE1 HIS 15 11.821 -14.484 -3.250 119 H ASP 16 H ASP 16 9.172 -7.324 -0.774 120 HA ASP 16 HA ASP 16 11.665 -6.035 -0.107 121 1HB ASP 16 1HB ASP 16 9.671 -4.087 -0.643 122 2HB ASP 16 2HB ASP 16 10.962 -4.600 -1.712 123 HD2 ASP 16 HD2 ASP 16 7.188 -5.394 -2.251 124 H GLU 17 H GLU 17 11.837 -4.558 1.699 125 HA GLU 17 HA GLU 17 9.867 -5.024 3.726 126 1HB GLU 17 1HB GLU 17 12.660 -3.991 3.597 127 2HB GLU 17 2HB GLU 17 11.667 -3.279 4.852 128 1HG GLU 17 1HG GLU 17 10.984 -5.860 5.263 129 2HG GLU 17 2HG GLU 17 12.545 -6.141 4.518 130 HE2 GLU 17 HE2 GLU 17 14.401 -4.710 6.969 131 H LYS 18 H LYS 18 11.576 -1.907 3.469 132 HA LYS 18 HA LYS 18 9.022 -0.564 3.593 133 1HB LYS 18 1HB LYS 18 11.888 0.193 4.044 134 2HB LYS 18 2HB LYS 18 10.729 1.457 3.685 135 1HG LYS 18 1HG LYS 18 9.431 -0.204 5.588 136 2HG LYS 18 2HG LYS 18 11.084 -0.075 6.155 137 1HD LYS 18 1HD LYS 18 10.602 2.543 5.460 138 2HD LYS 18 2HD LYS 18 8.987 2.041 5.918 139 1HE LYS 18 1HE LYS 18 9.648 2.486 8.059 140 2HE LYS 18 2HE LYS 18 10.486 0.949 7.975 141 1HZ LYS 18 1HZ LYS 18 11.657 3.312 8.402 142 2HZ LYS 18 2HZ LYS 18 12.435 1.973 7.885 143 3HZ LYS 18 3HZ LYS 18 11.947 3.100 6.809 144 H ARG 19 H ARG 19 10.503 -2.014 1.129 145 HA ARG 19 HA ARG 19 10.620 0.183 -0.679 146 1HB ARG 19 1HB ARG 19 11.167 -2.770 -0.774 147 2HB ARG 19 2HB ARG 19 10.731 -2.023 -2.298 148 1HG ARG 19 1HG ARG 19 12.565 -0.200 -1.237 149 2HG ARG 19 2HG ARG 19 13.213 -1.740 -0.706 150 1HD ARG 19 1HD ARG 19 12.307 -1.495 -3.579 151 2HD ARG 19 2HD ARG 19 13.816 -0.730 -3.122 152 HE ARG 19 HE ARG 19 13.949 -3.316 -2.035 153 1HH1 ARG 19 2HH2 ARG 19 13.590 -1.919 -5.245 154 2HH1 ARG 19 1HH2 ARG 19 14.362 -3.245 -6.048 155 1HH2 ARG 19 2HH1 ARG 19 14.968 -5.066 -3.094 156 2HH2 ARG 19 1HH1 ARG 19 15.151 -5.047 -4.816 157 H ASN 20 H ASN 20 8.177 -1.828 0.645 158 HA ASN 20 HA ASN 20 6.542 -1.615 -1.739 159 1HB ASN 20 1HB ASN 20 6.704 -3.828 -0.506 160 2HB ASN 20 2HB ASN 20 5.993 -3.067 0.904 161 1HD2 ASN 20 1HD2 ASN 20 4.484 -4.902 0.487 162 2HD2 ASN 20 2HD2 ASN 20 3.102 -4.617 -0.517 163 H ILE 21 H ILE 21 7.338 0.656 0.146 164 HA ILE 21 HA ILE 21 4.867 1.229 1.544 165 HB ILE 21 HB ILE 21 6.080 3.172 2.388 166 1HG1 ILE 21 1HG1 ILE 21 8.636 3.144 1.869 167 2HG1 ILE 21 2HG1 ILE 21 8.175 2.277 0.418 168 1HG2 ILE 21 1HG2 ILE 21 8.068 1.724 3.395 169 2HG2 ILE 21 2HG2 ILE 21 6.371 1.462 3.864 170 3HG2 ILE 21 3HG2 ILE 21 7.137 0.396 2.662 171 1HD1 ILE 21 1HD1 ILE 21 7.683 4.266 -0.544 172 2HD1 ILE 21 2HD1 ILE 21 6.339 4.439 0.610 173 3HD1 ILE 21 3HD1 ILE 21 7.938 5.117 0.999 174 H TYR 22 H TYR 22 6.895 2.585 -1.134 175 HA TYR 22 HA TYR 22 5.441 4.766 -1.795 176 1HB TYR 22 1HB TYR 22 6.481 4.413 -3.986 177 2HB TYR 22 2HB TYR 22 7.570 3.676 -2.827 178 HD1 TYR 22 HD1 TYR 22 7.098 1.091 -2.348 179 HD2 TYR 22 HD2 TYR 22 5.874 3.191 -5.869 180 HE1 TYR 22 HE1 TYR 22 6.952 -1.107 -3.617 181 HE2 TYR 22 HE2 TYR 22 5.732 0.986 -7.126 182 HH TYR 22 HH TYR 22 5.551 -1.897 -5.691 183 H GLN 23 H GLN 23 4.689 1.330 -2.578 184 HA GLN 23 HA GLN 23 2.511 2.040 -4.226 185 1HB GLN 23 1HB GLN 23 3.923 -0.364 -3.445 186 2HB GLN 23 2HB GLN 23 2.202 -0.636 -3.253 187 1HG GLN 23 1HG GLN 23 2.895 0.796 -5.759 188 2HG GLN 23 2HG GLN 23 3.603 -0.804 -5.655 189 1HE2 GLN 23 1HE2 GLN 23 2.187 -1.233 -7.468 190 2HE2 GLN 23 2HE2 GLN 23 0.546 -1.716 -7.198 191 H LYS 24 H LYS 24 3.016 1.524 -0.768 192 HA LYS 24 HA LYS 24 0.340 0.966 -0.093 193 1HB LYS 24 1HB LYS 24 2.765 0.951 1.207 194 2HB LYS 24 2HB LYS 24 1.986 2.346 1.925 195 1HG LYS 24 1HG LYS 24 0.023 1.012 2.548 196 2HG LYS 24 2HG LYS 24 0.625 -0.375 1.661 197 1HD LYS 24 1HD LYS 24 2.200 -0.915 3.281 198 2HD LYS 24 2HD LYS 24 2.468 0.754 3.740 199 1HE LYS 24 1HE LYS 24 1.012 0.557 5.469 200 2HE LYS 24 2HE LYS 24 -0.273 0.080 4.377 201 1HZ LYS 24 1HZ LYS 24 1.451 -1.564 5.977 202 2HZ LYS 24 2HZ LYS 24 -0.088 -1.824 5.497 203 3HZ LYS 24 3HZ LYS 24 1.150 -2.142 4.480 204 H ILE 25 H ILE 25 2.237 4.017 0.480 205 HA ILE 25 HA ILE 25 0.130 5.612 1.114 206 HB ILE 25 HB ILE 25 2.502 6.489 -0.528 207 1HG1 ILE 25 1HG1 ILE 25 3.198 6.863 2.114 208 2HG1 ILE 25 2HG1 ILE 25 2.398 5.304 2.162 209 1HG2 ILE 25 1HG2 ILE 25 2.131 8.609 0.236 210 2HG2 ILE 25 2HG2 ILE 25 0.455 8.013 0.175 211 3HG2 ILE 25 3HG2 ILE 25 1.328 8.059 1.726 212 1HD1 ILE 25 1HD1 ILE 25 4.989 6.040 0.967 213 2HD1 ILE 25 2HD1 ILE 25 4.377 4.440 1.450 214 3HD1 ILE 25 3HD1 ILE 25 3.958 5.109 -0.145 215 H ARG 26 H ARG 26 1.434 4.909 -2.192 216 HA ARG 26 HA ARG 26 -0.213 6.556 -3.574 217 1HB ARG 26 1HB ARG 26 1.379 4.130 -4.133 218 2HB ARG 26 2HB ARG 26 -0.007 4.261 -5.197 219 1HG ARG 26 1HG ARG 26 0.963 6.874 -5.178 220 2HG ARG 26 2HG ARG 26 2.439 5.935 -5.072 221 1HD ARG 26 1HD ARG 26 2.174 5.984 -7.388 222 2HD ARG 26 2HD ARG 26 1.308 4.503 -7.029 223 HE ARG 26 HE ARG 26 -0.585 6.588 -6.804 224 1HH1 ARG 26 2HH2 ARG 26 1.462 5.205 -9.311 225 2HH1 ARG 26 1HH2 ARG 26 0.383 5.621 -10.600 226 1HH2 ARG 26 2HH1 ARG 26 -2.009 7.137 -8.505 227 2HH2 ARG 26 1HH1 ARG 26 -1.605 6.728 -10.139 228 H ASP 27 H ASP 27 -0.938 3.540 -1.895 229 HA ASP 27 HA ASP 27 -3.311 3.016 -3.347 230 1HB ASP 27 1HB ASP 27 -1.698 1.542 -1.693 231 2HB ASP 27 2HB ASP 27 -2.970 1.960 -0.563 232 HD2 ASP 27 HD2 ASP 27 -5.308 -0.118 -2.088 233 H HIS 28 H HIS 28 -2.295 5.047 -0.670 234 HA HIS 28 HA HIS 28 -4.956 5.252 0.429 235 1HB HIS 28 1HB HIS 28 -2.348 5.567 1.423 236 2HB HIS 28 2HB HIS 28 -3.026 7.183 1.423 237 HD1 HIS 28 HD1 HIS 28 -3.373 7.399 3.945 238 HD2 HIS 28 HD2 HIS 28 -5.215 4.005 2.305 239 HE1 HIS 28 HE1 HIS 28 -4.848 6.426 5.786 240 H ASP 29 H ASP 29 -2.948 6.749 -1.996 241 HA ASP 29 HA ASP 29 -3.967 9.323 -1.861 242 1HB ASP 29 1HB ASP 29 -2.058 8.028 -3.353 243 2HB ASP 29 2HB ASP 29 -3.324 8.188 -4.555 244 HD2 ASP 29 HD2 ASP 29 -3.806 11.384 -4.096 245 H LEU 30 H LEU 30 -5.176 6.246 -3.145 246 HA LEU 30 HA LEU 30 -7.028 7.264 -4.991 247 1HB LEU 30 1HB LEU 30 -6.887 4.671 -3.455 248 2HB LEU 30 2HB LEU 30 -8.094 5.004 -4.682 249 HG LEU 30 HG LEU 30 -5.169 5.258 -5.341 250 1HD1 LEU 30 1HD1 LEU 30 -6.729 2.727 -4.943 251 2HD1 LEU 30 2HD1 LEU 30 -5.493 2.816 -6.222 252 3HD1 LEU 30 3HD1 LEU 30 -5.041 3.108 -4.525 253 1HD2 LEU 30 1HD2 LEU 30 -7.328 4.253 -7.167 254 2HD2 LEU 30 2HD2 LEU 30 -7.186 5.994 -6.827 255 3HD2 LEU 30 3HD2 LEU 30 -5.818 5.114 -7.549 256 H LEU 31 H LEU 31 -6.964 7.068 -1.476 257 HA LEU 31 HA LEU 31 -9.790 7.290 -1.166 258 1HB LEU 31 1HB LEU 31 -7.391 7.371 0.610 259 2HB LEU 31 2HB LEU 31 -8.904 8.018 1.214 260 HG LEU 31 HG LEU 31 -9.446 5.463 0.043 261 1HD1 LEU 31 1HD1 LEU 31 -6.893 5.618 1.558 262 2HD1 LEU 31 2HD1 LEU 31 -7.989 4.271 1.945 263 3HD1 LEU 31 3HD1 LEU 31 -7.410 4.495 0.277 264 1HD2 LEU 31 1HD2 LEU 31 -10.634 6.739 1.895 265 2HD2 LEU 31 2HD2 LEU 31 -10.426 4.987 2.132 266 3HD2 LEU 31 3HD2 LEU 31 -9.366 6.133 2.987 267 H ASP 32 H ASP 32 -9.834 9.069 -2.921 268 HA ASP 32 HA ASP 32 -8.804 11.482 -2.775 269 1HB ASP 32 1HB ASP 32 -11.487 12.109 -3.245 270 2HB ASP 32 2HB ASP 32 -10.324 11.612 -4.458 271 HD2 ASP 32 HD2 ASP 32 -12.355 10.088 -2.096 272 H LYS 33 H LYS 33 -9.012 13.376 -1.477 273 HA LYS 33 HA LYS 33 -10.019 13.040 1.129 274 1HB LYS 33 1HB LYS 33 -8.725 15.208 -0.451 275 2HB LYS 33 2HB LYS 33 -9.648 15.704 0.954 276 1HG LYS 33 1HG LYS 33 -8.332 13.719 2.154 277 2HG LYS 33 2HG LYS 33 -7.209 13.916 0.824 278 1HD LYS 33 1HD LYS 33 -6.434 15.934 1.600 279 2HD LYS 33 2HD LYS 33 -8.030 16.483 2.072 280 1HE LYS 33 1HE LYS 33 -7.780 15.753 4.230 281 2HE LYS 33 2HE LYS 33 -7.062 14.233 3.735 282 1HZ LYS 33 1HZ LYS 33 -5.012 15.499 3.280 283 2HZ LYS 33 2HZ LYS 33 -5.700 16.826 3.938 284 3HZ LYS 33 3HZ LYS 33 -5.440 15.500 4.856 285 H ARG 34 H ARG 34 -11.312 14.482 -1.884 286 HA ARG 34 HA ARG 34 -13.837 14.712 -0.463 287 1HB ARG 34 1HB ARG 34 -12.925 16.648 -2.643 288 2HB ARG 34 2HB ARG 34 -14.351 16.795 -1.636 289 1HG ARG 34 1HG ARG 34 -12.688 16.807 0.385 290 2HG ARG 34 2HG ARG 34 -11.440 17.099 -0.810 291 1HD ARG 34 1HD ARG 34 -11.994 19.304 -0.348 292 2HD ARG 34 2HD ARG 34 -13.155 19.009 -1.628 293 HE ARG 34 HE ARG 34 -14.544 18.196 0.602 294 1HH1 ARG 34 2HH2 ARG 34 -12.755 21.132 -0.148 295 2HH1 ARG 34 1HH2 ARG 34 -13.733 22.139 0.866 296 1HH2 ARG 34 2HH1 ARG 34 -15.835 19.524 1.940 297 2HH2 ARG 34 1HH1 ARG 34 -15.497 21.219 2.061 298 H LYS 35 H LYS 35 -12.551 15.167 -3.846 299 HA LYS 35 HA LYS 35 -13.393 14.489 -5.796 300 1HB LYS 35 1HB LYS 35 -11.977 12.620 -5.176 301 2HB LYS 35 2HB LYS 35 -13.276 11.876 -4.266 302 1HG LYS 35 1HG LYS 35 -14.288 12.424 -6.905 303 2HG LYS 35 2HG LYS 35 -12.717 11.671 -7.097 304 1HD LYS 35 1HD LYS 35 -13.630 9.985 -5.240 305 2HD LYS 35 2HD LYS 35 -15.198 10.564 -5.766 306 1HE LYS 35 1HE LYS 35 -15.026 9.576 -7.859 307 2HE LYS 35 2HE LYS 35 -13.293 9.812 -7.953 308 1HZ LYS 35 1HZ LYS 35 -13.283 7.643 -7.507 309 2HZ LYS 35 2HZ LYS 35 -13.464 8.097 -5.949 310 3HZ LYS 35 3HZ LYS 35 -14.764 7.628 -6.820 311 H THR 36 H THR 36 -15.240 11.867 -4.306 312 HA THR 36 HA THR 36 -17.657 13.223 -3.925 313 HB THR 36 HB THR 36 -16.977 13.030 -6.651 314 HG1 THR 36 HG1 THR 36 -19.617 12.992 -5.373 315 1HG2 THR 36 1HG2 THR 36 -17.720 10.488 -6.236 316 2HG2 THR 36 2HG2 THR 36 -19.350 11.203 -6.200 317 3HG2 THR 36 3HG2 THR 36 -18.332 11.380 -7.649 318 H VAL 37 H VAL 37 -19.567 11.394 -4.304 319 HA VAL 37 HA VAL 37 -18.452 8.889 -3.269 320 HB VAL 37 HB VAL 37 -19.320 10.526 -1.492 321 1HG1 VAL 37 1HG1 VAL 37 -21.790 10.390 -1.115 322 2HG1 VAL 37 2HG1 VAL 37 -21.332 11.301 -2.574 323 3HG1 VAL 37 3HG1 VAL 37 -21.950 9.638 -2.720 324 1HG2 VAL 37 1HG2 VAL 37 -19.197 7.783 -1.617 325 2HG2 VAL 37 2HG2 VAL 37 -19.547 8.733 -0.153 326 3HG2 VAL 37 3HG2 VAL 37 -20.883 8.059 -1.117 327 H THR 38 H THR 38 -20.634 7.332 -3.061 328 HA THR 38 HA THR 38 -21.240 6.580 -5.605 329 HB THR 38 HB THR 38 -23.267 6.286 -3.366 330 HG1 THR 38 HG1 THR 38 -21.619 4.697 -2.535 331 1HG2 THR 38 1HG2 THR 38 -22.524 3.780 -4.164 332 2HG2 THR 38 2HG2 THR 38 -23.829 4.689 -4.962 333 3HG2 THR 38 3HG2 THR 38 -22.194 4.677 -5.666 334 H ALA 39 H ALA 39 -23.550 6.497 -6.591 335 HA ALA 39 HA ALA 39 -25.237 8.709 -6.162 336 1HB ALA 39 1HB ALA 39 -22.896 9.280 -7.673 337 2HB ALA 39 2HB ALA 39 -24.247 9.200 -8.830 338 3HB ALA 39 3HB ALA 39 -24.328 10.313 -7.443 339 H LEU 40 H LEU 40 -27.078 8.674 -7.691 340 HA LEU 40 HA LEU 40 -28.695 7.387 -8.545 341 1HB LEU 40 1HB LEU 40 -26.432 7.161 -10.517 342 2HB LEU 40 2HB LEU 40 -28.018 6.493 -10.847 343 HG LEU 40 HG LEU 40 -28.043 9.313 -9.970 344 1HD1 LEU 40 1HD1 LEU 40 -27.440 9.712 -12.608 345 2HD1 LEU 40 2HD1 LEU 40 -26.324 9.970 -11.246 346 3HD1 LEU 40 3HD1 LEU 40 -26.280 8.440 -12.155 347 1HD2 LEU 40 1HD2 LEU 40 -29.237 8.385 -12.532 348 2HD2 LEU 40 2HD2 LEU 40 -29.880 7.684 -11.028 349 3HD2 LEU 40 3HD2 LEU 40 -29.899 9.448 -11.267 350 H LYS 41 H LYS 41 -28.286 5.969 -6.504 351 HA LYS 41 HA LYS 41 -26.891 3.608 -6.619 352 1HB LYS 41 1HB LYS 41 -27.931 3.099 -4.648 353 2HB LYS 41 2HB LYS 41 -28.241 4.823 -4.708 354 1HG LYS 41 1HG LYS 41 -30.492 4.440 -5.634 355 2HG LYS 41 2HG LYS 41 -30.187 2.719 -5.763 356 1HD LYS 41 1HD LYS 41 -29.854 2.647 -3.245 357 2HD LYS 41 2HD LYS 41 -30.317 4.335 -3.175 358 1HE LYS 41 1HE LYS 41 -32.424 3.465 -2.859 359 2HE LYS 41 2HE LYS 41 -32.428 3.378 -4.610 360 1HZ LYS 41 1HZ LYS 41 -32.752 1.295 -2.960 361 2HZ LYS 41 2HZ LYS 41 -32.334 1.179 -4.535 362 3HZ LYS 41 3HZ LYS 41 -31.182 1.134 -3.378 363 H ALA 42 H ALA 42 -28.246 1.355 -6.443 364 HA ALA 42 HA ALA 42 -28.921 0.738 -9.062 365 1HB ALA 42 1HB ALA 42 -29.652 -1.410 -8.101 366 2HB ALA 42 2HB ALA 42 -28.126 -0.872 -7.359 367 3HB ALA 42 3HB ALA 42 -29.660 -0.688 -6.474 368 H GLY 43 H GLY 43 -30.631 1.462 -10.221 369 1HA GLY 43 1HA GLY 43 -32.689 2.228 -10.714 370 2HA GLY 43 2HA GLY 43 -33.259 0.959 -9.648 371 H GLU 44 H GLU 44 -31.886 4.319 -9.560 372 HA GLU 44 HA GLU 44 -32.471 4.954 -7.013 373 1HB GLU 44 1HB GLU 44 -31.371 6.340 -8.942 374 2HB GLU 44 2HB GLU 44 -32.992 6.920 -9.265 375 1HG GLU 44 1HG GLU 44 -33.156 7.609 -6.814 376 2HG GLU 44 2HG GLU 44 -31.467 7.178 -6.632 377 HE2 GLU 44 HE2 GLU 44 -30.314 9.681 -7.029 378 H ASP 45 H ASP 45 -34.381 4.193 -6.083 379 HA ASP 45 HA ASP 45 -36.508 3.945 -5.696 380 1HB ASP 45 1HB ASP 45 -36.074 6.785 -6.305 381 2HB ASP 45 2HB ASP 45 -37.727 6.319 -6.649 382 HD2 ASP 45 HD2 ASP 45 -36.182 7.195 -3.351 Start of MODEL 5 1 H MET 1 H MET 1 1.397 -26.297 -17.951 2 HA MET 1 HA MET 1 -0.693 -26.497 -17.001 3 1HB MET 1 1HB MET 1 1.497 -28.265 -15.960 4 2HB MET 1 2HB MET 1 -0.013 -28.381 -15.079 5 1HG MET 1 1HG MET 1 -0.541 -28.364 -17.953 6 2HG MET 1 2HG MET 1 0.629 -29.610 -17.569 7 1HE MET 1 1HE MET 1 0.131 -31.778 -16.412 8 2HE MET 1 2HE MET 1 -1.533 -32.388 -16.575 9 3HE MET 1 3HE MET 1 -0.697 -31.695 -17.985 10 H PHE 2 H PHE 2 -1.595 -24.749 -15.900 11 HA PHE 2 HA PHE 2 -0.753 -23.397 -13.788 12 1HB PHE 2 1HB PHE 2 -2.974 -23.288 -15.118 13 2HB PHE 2 2HB PHE 2 -3.578 -24.578 -14.097 14 HD1 PHE 2 HD1 PHE 2 -3.335 -24.069 -11.481 15 HD2 PHE 2 HD2 PHE 2 -3.512 -21.126 -14.533 16 HE1 PHE 2 HE1 PHE 2 -4.117 -22.375 -9.802 17 HE2 PHE 2 HE2 PHE 2 -4.294 -19.432 -12.854 18 HZ PHE 2 HZ PHE 2 -4.588 -20.077 -10.509 19 H ILE 3 H ILE 3 -0.582 -23.556 -11.547 20 HA ILE 3 HA ILE 3 -0.630 -26.250 -10.522 21 HB ILE 3 HB ILE 3 1.257 -24.800 -10.072 22 1HG1 ILE 3 1HG1 ILE 3 1.215 -24.979 -7.523 23 2HG1 ILE 3 2HG1 ILE 3 -0.416 -25.600 -7.683 24 1HG2 ILE 3 1HG2 ILE 3 1.062 -22.650 -9.571 25 2HG2 ILE 3 2HG2 ILE 3 -0.708 -22.814 -9.661 26 3HG2 ILE 3 3HG2 ILE 3 0.128 -23.035 -8.105 27 1HD1 ILE 3 1HD1 ILE 3 2.019 -26.788 -9.091 28 2HD1 ILE 3 2HD1 ILE 3 1.307 -27.418 -7.587 29 3HD1 ILE 3 3HD1 ILE 3 0.367 -27.452 -9.098 30 H TRP 4 H TRP 4 -2.356 -27.164 -9.558 31 HA TRP 4 HA TRP 4 -4.400 -25.329 -8.510 32 1HB TRP 4 1HB TRP 4 -6.011 -27.102 -8.921 33 2HB TRP 4 2HB TRP 4 -5.202 -26.603 -10.393 34 HD1 TRP 4 HD1 TRP 4 -3.585 -28.445 -11.578 35 HE1 TRP 4 HE1 TRP 4 -3.297 -31.061 -11.389 36 HE3 TRP 4 HE3 TRP 4 -6.112 -28.933 -7.193 37 HZ2 TRP 4 HZ2 TRP 4 -4.139 -32.998 -9.469 38 HZ3 TRP 4 HZ3 TRP 4 -6.334 -31.221 -6.229 39 HH2 TRP 4 HH2 TRP 4 -5.397 -33.212 -7.294 40 H THR 5 H THR 5 -2.377 -28.252 -8.006 41 HA THR 5 HA THR 5 -3.430 -29.149 -5.621 42 HB THR 5 HB THR 5 -1.206 -30.206 -5.369 43 HG1 THR 5 HG1 THR 5 -0.495 -28.408 -7.568 44 1HG2 THR 5 1HG2 THR 5 -0.953 -30.262 -8.240 45 2HG2 THR 5 2HG2 THR 5 -1.644 -31.518 -7.185 46 3HG2 THR 5 3HG2 THR 5 -2.691 -30.245 -7.855 47 H SER 6 H SER 6 -0.193 -27.942 -5.111 48 HA SER 6 HA SER 6 -1.008 -25.586 -3.794 49 1HB SER 6 1HB SER 6 -1.086 -28.047 -2.274 50 2HB SER 6 2HB SER 6 0.213 -27.051 -1.650 51 HG SER 6 HG SER 6 -1.364 -25.263 -1.515 52 H GLY 7 H GLY 7 0.676 -24.547 -4.912 53 1HA GLY 7 1HA GLY 7 3.396 -25.343 -4.097 54 2HA GLY 7 2HA GLY 7 3.015 -25.088 -5.788 55 H ARG 8 H ARG 8 3.534 -23.562 -2.639 56 HA ARG 8 HA ARG 8 2.614 -21.074 -3.041 57 1HB ARG 8 1HB ARG 8 4.176 -20.362 -1.354 58 2HB ARG 8 2HB ARG 8 3.843 -22.044 -0.997 59 1HG ARG 8 1HG ARG 8 5.954 -22.430 -2.636 60 2HG ARG 8 2HG ARG 8 6.345 -20.800 -2.124 61 1HD ARG 8 1HD ARG 8 7.432 -22.311 -0.570 62 2HD ARG 8 2HD ARG 8 6.103 -21.562 0.292 63 HE ARG 8 HE ARG 8 5.039 -23.908 -0.848 64 1HH1 ARG 8 2HH2 ARG 8 7.576 -23.089 1.450 65 2HH1 ARG 8 1HH2 ARG 8 7.440 -24.578 2.325 66 1HH2 ARG 8 2HH1 ARG 8 4.860 -25.872 0.306 67 2HH2 ARG 8 1HH1 ARG 8 5.884 -26.171 1.670 68 H THR 9 H THR 9 3.610 -19.041 -3.812 69 HA THR 9 HA THR 9 5.564 -19.546 -5.955 70 HB THR 9 HB THR 9 4.500 -17.238 -6.713 71 HG1 THR 9 HG1 THR 9 2.594 -16.805 -5.580 72 1HG2 THR 9 1HG2 THR 9 3.195 -18.462 -8.155 73 2HG2 THR 9 2HG2 THR 9 3.855 -19.896 -7.333 74 3HG2 THR 9 3HG2 THR 9 2.295 -19.213 -6.816 75 H SER 10 H SER 10 6.386 -16.925 -6.424 76 HA SER 10 HA SER 10 8.168 -16.668 -4.200 77 1HB SER 10 1HB SER 10 9.177 -14.838 -5.705 78 2HB SER 10 2HB SER 10 9.234 -16.480 -6.314 79 HG SER 10 HG SER 10 7.625 -16.050 -7.790 80 H SER 11 H SER 11 8.568 -14.539 -3.123 81 HA SER 11 HA SER 11 6.057 -13.274 -2.604 82 1HB SER 11 1HB SER 11 8.843 -13.021 -1.414 83 2HB SER 11 2HB SER 11 7.545 -11.943 -0.940 84 HG SER 11 HG SER 11 7.828 -14.752 -0.484 85 H SER 12 H SER 12 9.087 -11.413 -2.491 86 HA SER 12 HA SER 12 9.825 -9.688 -3.591 87 1HB SER 12 1HB SER 12 8.645 -11.229 -5.657 88 2HB SER 12 2HB SER 12 8.068 -9.597 -5.927 89 HG SER 12 HG SER 12 10.343 -8.883 -5.789 90 H TYR 13 H TYR 13 6.944 -9.982 -2.156 91 HA TYR 13 HA TYR 13 6.099 -7.242 -2.824 92 1HB TYR 13 1HB TYR 13 3.840 -8.062 -2.387 93 2HB TYR 13 2HB TYR 13 4.593 -9.312 -3.358 94 HD1 TYR 13 HD1 TYR 13 3.163 -8.478 -0.118 95 HD2 TYR 13 HD2 TYR 13 5.386 -11.427 -2.279 96 HE1 TYR 13 HE1 TYR 13 2.640 -10.200 1.679 97 HE2 TYR 13 HE2 TYR 13 4.856 -13.138 -0.474 98 HH TYR 13 HH TYR 13 3.272 -12.188 2.500 99 H ARG 14 H ARG 14 6.381 -9.750 -0.225 100 HA ARG 14 HA ARG 14 6.120 -7.615 1.704 101 1HB ARG 14 1HB ARG 14 5.567 -10.505 1.660 102 2HB ARG 14 2HB ARG 14 6.507 -10.068 3.074 103 1HG ARG 14 1HG ARG 14 4.054 -8.457 2.278 104 2HG ARG 14 2HG ARG 14 3.893 -9.928 3.217 105 1HD ARG 14 1HD ARG 14 4.048 -8.264 4.891 106 2HD ARG 14 2HD ARG 14 5.689 -8.874 4.811 107 HE ARG 14 HE ARG 14 6.399 -6.837 3.858 108 1HH1 ARG 14 2HH2 ARG 14 2.883 -6.985 3.906 109 2HH1 ARG 14 1HH2 ARG 14 2.680 -5.318 3.480 110 1HH2 ARG 14 2HH1 ARG 14 6.131 -4.638 3.295 111 2HH2 ARG 14 1HH1 ARG 14 4.540 -3.975 3.130 112 H HIS 15 H HIS 15 8.429 -9.897 0.273 113 HA HIS 15 HA HIS 15 10.361 -10.008 2.199 114 1HB HIS 15 1HB HIS 15 10.105 -10.577 -0.597 115 2HB HIS 15 2HB HIS 15 11.634 -9.758 -0.345 116 HD1 HIS 15 HD1 HIS 15 13.281 -10.899 1.498 117 HD2 HIS 15 HD2 HIS 15 10.069 -13.235 0.151 118 HE1 HIS 15 HE1 HIS 15 13.835 -13.309 2.129 119 H ASP 16 H ASP 16 9.301 -7.282 0.254 120 HA ASP 16 HA ASP 16 11.715 -5.827 0.818 121 1HB ASP 16 1HB ASP 16 9.574 -4.171 -0.223 122 2HB ASP 16 2HB ASP 16 11.088 -4.607 -0.989 123 HD2 ASP 16 HD2 ASP 16 9.564 -6.667 -3.228 124 H GLU 17 H GLU 17 11.851 -4.216 2.446 125 HA GLU 17 HA GLU 17 9.649 -4.151 4.277 126 1HB GLU 17 1HB GLU 17 12.541 -3.446 4.322 127 2HB GLU 17 2HB GLU 17 11.525 -2.419 5.313 128 1HG GLU 17 1HG GLU 17 11.359 -5.460 5.434 129 2HG GLU 17 2HG GLU 17 12.474 -4.548 6.432 130 HE2 GLU 17 HE2 GLU 17 9.055 -5.123 7.869 131 H LYS 18 H LYS 18 11.755 -1.330 3.598 132 HA LYS 18 HA LYS 18 9.379 0.293 3.323 133 1HB LYS 18 1HB LYS 18 12.299 0.800 3.792 134 2HB LYS 18 2HB LYS 18 11.304 2.093 3.153 135 1HG LYS 18 1HG LYS 18 9.764 0.957 5.250 136 2HG LYS 18 2HG LYS 18 11.401 1.012 5.872 137 1HD LYS 18 1HD LYS 18 11.435 3.306 5.957 138 2HD LYS 18 2HD LYS 18 10.608 3.477 4.422 139 1HE LYS 18 1HE LYS 18 8.753 4.061 5.599 140 2HE LYS 18 2HE LYS 18 8.633 2.385 6.096 141 1HZ LYS 18 1HZ LYS 18 9.723 2.836 8.062 142 2HZ LYS 18 2HZ LYS 18 10.373 4.239 7.536 143 3HZ LYS 18 3HZ LYS 18 8.778 4.155 7.877 144 H ARG 19 H ARG 19 10.626 -1.774 1.259 145 HA ARG 19 HA ARG 19 10.944 0.093 -0.923 146 1HB ARG 19 1HB ARG 19 11.668 -2.787 -0.432 147 2HB ARG 19 2HB ARG 19 11.320 -2.342 -2.091 148 1HG ARG 19 1HG ARG 19 12.973 -0.253 -1.130 149 2HG ARG 19 2HG ARG 19 13.675 -1.712 -0.459 150 1HD ARG 19 1HD ARG 19 13.038 -2.395 -3.137 151 2HD ARG 19 2HD ARG 19 13.678 -0.767 -3.238 152 HE ARG 19 HE ARG 19 15.388 -2.236 -1.504 153 1HH1 ARG 19 2HH2 ARG 19 14.442 -2.215 -4.893 154 2HH1 ARG 19 1HH2 ARG 19 15.945 -2.873 -5.449 155 1HH2 ARG 19 2HH1 ARG 19 17.371 -3.104 -2.237 156 2HH2 ARG 19 1HH1 ARG 19 17.622 -3.381 -3.928 157 H ASN 20 H ASN 20 8.546 -1.775 0.645 158 HA ASN 20 HA ASN 20 6.966 -1.798 -1.806 159 1HB ASN 20 1HB ASN 20 7.583 -4.093 -0.751 160 2HB ASN 20 2HB ASN 20 6.550 -3.649 0.593 161 1HD2 ASN 20 1HD2 ASN 20 6.605 -3.881 -2.950 162 2HD2 ASN 20 2HD2 ASN 20 4.963 -4.387 -3.168 163 H ILE 21 H ILE 21 7.222 0.474 -0.044 164 HA ILE 21 HA ILE 21 4.673 0.396 1.413 165 HB ILE 21 HB ILE 21 5.912 2.556 2.421 166 1HG1 ILE 21 1HG1 ILE 21 8.285 1.910 2.887 167 2HG1 ILE 21 2HG1 ILE 21 8.137 0.626 1.703 168 1HG2 ILE 21 1HG2 ILE 21 5.643 -0.280 3.224 169 2HG2 ILE 21 2HG2 ILE 21 6.827 0.683 4.140 170 3HG2 ILE 21 3HG2 ILE 21 5.130 1.211 4.051 171 1HD1 ILE 21 1HD1 ILE 21 8.332 2.067 -0.051 172 2HD1 ILE 21 2HD1 ILE 21 7.194 3.229 0.671 173 3HD1 ILE 21 3HD1 ILE 21 8.906 3.244 1.155 174 H TYR 22 H TYR 22 6.686 1.996 -1.041 175 HA TYR 22 HA TYR 22 5.323 4.364 -1.343 176 1HB TYR 22 1HB TYR 22 6.397 4.294 -3.546 177 2HB TYR 22 2HB TYR 22 7.454 3.392 -2.478 178 HD1 TYR 22 HD1 TYR 22 5.397 3.267 -5.445 179 HD2 TYR 22 HD2 TYR 22 7.354 0.852 -2.504 180 HE1 TYR 22 HE1 TYR 22 5.253 1.254 -6.991 181 HE2 TYR 22 HE2 TYR 22 7.203 -1.152 -4.061 182 HH TYR 22 HH TYR 22 5.372 -1.675 -6.149 183 H GLN 23 H GLN 23 4.584 1.106 -2.729 184 HA GLN 23 HA GLN 23 2.446 2.061 -4.267 185 1HB GLN 23 1HB GLN 23 3.878 -0.271 -4.175 186 2HB GLN 23 2HB GLN 23 2.410 -0.788 -3.370 187 1HG GLN 23 1HG GLN 23 1.234 0.488 -5.421 188 2HG GLN 23 2HG GLN 23 2.778 0.200 -6.199 189 1HE2 GLN 23 1HE2 GLN 23 1.672 -1.149 -7.672 190 2HE2 GLN 23 2HE2 GLN 23 1.258 -2.785 -7.280 191 H LYS 24 H LYS 24 2.834 1.735 -0.907 192 HA LYS 24 HA LYS 24 0.111 0.953 -0.363 193 1HB LYS 24 1HB LYS 24 2.447 0.625 0.994 194 2HB LYS 24 2HB LYS 24 1.815 2.045 1.802 195 1HG LYS 24 1HG LYS 24 -0.229 0.918 2.416 196 2HG LYS 24 2HG LYS 24 0.075 -0.405 1.307 197 1HD LYS 24 1HD LYS 24 2.304 -0.683 2.783 198 2HD LYS 24 2HD LYS 24 1.348 0.160 3.986 199 1HE LYS 24 1HE LYS 24 0.167 -1.723 4.447 200 2HE LYS 24 2HE LYS 24 -0.305 -1.890 2.767 201 1HZ LYS 24 1HZ LYS 24 1.722 -3.258 4.194 202 2HZ LYS 24 2HZ LYS 24 1.006 -3.651 2.780 203 3HZ LYS 24 3HZ LYS 24 2.288 -2.639 2.793 204 H ILE 25 H ILE 25 2.144 3.858 0.461 205 HA ILE 25 HA ILE 25 0.127 5.486 1.273 206 HB ILE 25 HB ILE 25 2.489 6.396 -0.364 207 1HG1 ILE 25 1HG1 ILE 25 3.276 6.512 2.278 208 2HG1 ILE 25 2HG1 ILE 25 2.415 4.987 2.215 209 1HG2 ILE 25 1HG2 ILE 25 0.841 7.683 1.824 210 2HG2 ILE 25 2HG2 ILE 25 2.386 8.331 1.224 211 3HG2 ILE 25 3HG2 ILE 25 0.992 8.192 0.125 212 1HD1 ILE 25 1HD1 ILE 25 4.920 5.819 0.787 213 2HD1 ILE 25 2HD1 ILE 25 4.494 4.250 1.511 214 3HD1 ILE 25 3HD1 ILE 25 3.823 4.712 -0.072 215 H ARG 26 H ARG 26 1.323 5.004 -2.114 216 HA ARG 26 HA ARG 26 -0.297 6.819 -3.309 217 1HB ARG 26 1HB ARG 26 1.193 4.393 -4.113 218 2HB ARG 26 2HB ARG 26 -0.203 4.678 -5.133 219 1HG ARG 26 1HG ARG 26 0.867 7.236 -4.905 220 2HG ARG 26 2HG ARG 26 2.310 6.242 -4.894 221 1HD ARG 26 1HD ARG 26 0.717 5.109 -6.934 222 2HD ARG 26 2HD ARG 26 0.478 6.835 -7.120 223 HE ARG 26 HE ARG 26 3.288 6.143 -6.733 224 1HH1 ARG 26 2HH2 ARG 26 0.715 6.392 -9.120 225 2HH1 ARG 26 1HH2 ARG 26 1.799 6.599 -10.455 226 1HH2 ARG 26 2HH1 ARG 26 4.719 6.415 -8.493 227 2HH2 ARG 26 1HH1 ARG 26 4.092 6.612 -10.096 228 H ASP 27 H ASP 27 -1.077 3.684 -1.887 229 HA ASP 27 HA ASP 27 -3.478 3.320 -3.320 230 1HB ASP 27 1HB ASP 27 -1.898 1.738 -1.720 231 2HB ASP 27 2HB ASP 27 -3.183 2.122 -0.593 232 HD2 ASP 27 HD2 ASP 27 -5.448 1.357 -1.440 233 H HIS 28 H HIS 28 -2.406 5.226 -0.584 234 HA HIS 28 HA HIS 28 -5.021 5.411 0.601 235 1HB HIS 28 1HB HIS 28 -2.385 5.750 1.488 236 2HB HIS 28 2HB HIS 28 -3.065 7.365 1.510 237 HD1 HIS 28 HD1 HIS 28 -3.303 7.586 4.044 238 HD2 HIS 28 HD2 HIS 28 -5.218 4.192 2.491 239 HE1 HIS 28 HE1 HIS 28 -4.701 6.620 5.948 240 H ASP 29 H ASP 29 -3.023 7.079 -1.778 241 HA ASP 29 HA ASP 29 -4.312 9.552 -1.589 242 1HB ASP 29 1HB ASP 29 -2.125 8.548 -2.938 243 2HB ASP 29 2HB ASP 29 -3.275 8.687 -4.253 244 HD2 ASP 29 HD2 ASP 29 -4.512 11.034 -3.235 245 H LEU 30 H LEU 30 -5.028 6.434 -3.104 246 HA LEU 30 HA LEU 30 -6.691 7.221 -5.170 247 1HB LEU 30 1HB LEU 30 -6.565 4.764 -3.438 248 2HB LEU 30 2HB LEU 30 -7.754 4.928 -4.714 249 HG LEU 30 HG LEU 30 -4.762 5.120 -5.153 250 1HD1 LEU 30 1HD1 LEU 30 -5.740 2.778 -6.348 251 2HD1 LEU 30 2HD1 LEU 30 -4.667 2.913 -4.935 252 3HD1 LEU 30 3HD1 LEU 30 -6.429 2.802 -4.707 253 1HD2 LEU 30 1HD2 LEU 30 -5.231 5.782 -7.215 254 2HD2 LEU 30 2HD2 LEU 30 -6.261 4.353 -7.471 255 3HD2 LEU 30 3HD2 LEU 30 -6.958 5.842 -6.790 256 H LEU 31 H LEU 31 -7.210 7.079 -1.653 257 HA LEU 31 HA LEU 31 -10.044 7.601 -2.018 258 1HB LEU 31 1HB LEU 31 -8.579 7.447 0.600 259 2HB LEU 31 2HB LEU 31 -10.279 7.176 0.273 260 HG LEU 31 HG LEU 31 -8.768 5.277 -1.250 261 1HD1 LEU 31 1HD1 LEU 31 -7.646 5.871 1.406 262 2HD1 LEU 31 2HD1 LEU 31 -8.024 4.155 1.123 263 3HD1 LEU 31 3HD1 LEU 31 -6.934 5.022 0.014 264 1HD2 LEU 31 1HD2 LEU 31 -10.251 4.461 1.199 265 2HD2 LEU 31 2HD2 LEU 31 -11.158 5.328 -0.063 266 3HD2 LEU 31 3HD2 LEU 31 -10.312 3.813 -0.457 267 H ASP 32 H ASP 32 -7.592 9.451 -2.692 268 HA ASP 32 HA ASP 32 -8.482 11.680 -1.043 269 1HB ASP 32 1HB ASP 32 -5.889 10.758 -1.811 270 2HB ASP 32 2HB ASP 32 -6.147 12.244 -2.702 271 HD2 ASP 32 HD2 ASP 32 -7.158 13.923 0.004 272 H LYS 33 H LYS 33 -8.387 10.233 -4.226 273 HA LYS 33 HA LYS 33 -8.313 12.309 -5.964 274 1HB LYS 33 1HB LYS 33 -9.488 9.613 -5.911 275 2HB LYS 33 2HB LYS 33 -10.295 10.705 -7.018 276 1HG LYS 33 1HG LYS 33 -7.801 11.353 -7.721 277 2HG LYS 33 2HG LYS 33 -7.410 9.795 -7.019 278 1HD LYS 33 1HD LYS 33 -8.348 8.644 -8.757 279 2HD LYS 33 2HD LYS 33 -9.777 9.658 -8.777 280 1HE LYS 33 1HE LYS 33 -8.569 11.409 -10.041 281 2HE LYS 33 2HE LYS 33 -7.076 10.498 -9.935 282 1HZ LYS 33 1HZ LYS 33 -7.751 9.645 -11.851 283 2HZ LYS 33 2HZ LYS 33 -8.773 8.716 -10.980 284 3HZ LYS 33 3HZ LYS 33 -9.308 10.101 -11.661 285 H ARG 34 H ARG 34 -10.851 11.491 -3.622 286 HA ARG 34 HA ARG 34 -12.655 13.348 -4.838 287 1HB ARG 34 1HB ARG 34 -13.045 12.117 -2.089 288 2HB ARG 34 2HB ARG 34 -14.266 12.554 -3.267 289 1HG ARG 34 1HG ARG 34 -13.309 10.727 -4.793 290 2HG ARG 34 2HG ARG 34 -12.305 10.223 -3.448 291 1HD ARG 34 1HD ARG 34 -14.254 8.825 -3.344 292 2HD ARG 34 2HD ARG 34 -14.460 9.999 -2.060 293 HE ARG 34 HE ARG 34 -15.703 11.220 -4.206 294 1HH1 ARG 34 2HH2 ARG 34 -16.015 8.051 -2.709 295 2HH1 ARG 34 1HH2 ARG 34 -17.686 7.876 -3.130 296 1HH2 ARG 34 2HH1 ARG 34 -17.907 10.990 -4.760 297 2HH2 ARG 34 1HH1 ARG 34 -18.770 9.559 -4.304 298 H LYS 35 H LYS 35 -10.419 13.101 -2.052 299 HA LYS 35 HA LYS 35 -11.329 15.409 -0.716 300 1HB LYS 35 1HB LYS 35 -9.047 13.525 -0.530 301 2HB LYS 35 2HB LYS 35 -8.748 15.133 0.098 302 1HG LYS 35 1HG LYS 35 -9.950 14.657 1.957 303 2HG LYS 35 2HG LYS 35 -11.373 14.354 0.981 304 1HD LYS 35 1HD LYS 35 -9.348 12.161 0.950 305 2HD LYS 35 2HD LYS 35 -10.098 12.444 2.508 306 1HE LYS 35 1HE LYS 35 -12.366 12.440 1.169 307 2HE LYS 35 2HE LYS 35 -11.438 11.685 -0.112 308 1HZ LYS 35 1HZ LYS 35 -12.157 10.635 2.474 309 2HZ LYS 35 2HZ LYS 35 -12.018 9.867 1.040 310 3HZ LYS 35 3HZ LYS 35 -10.683 10.212 1.914 311 H THR 36 H THR 36 -9.577 17.282 -0.328 312 HA THR 36 HA THR 36 -7.868 18.030 -2.376 313 HB THR 36 HB THR 36 -10.535 18.115 -3.258 314 HG1 THR 36 HG1 THR 36 -8.040 19.518 -3.865 315 1HG2 THR 36 1HG2 THR 36 -10.541 20.313 -1.712 316 2HG2 THR 36 2HG2 THR 36 -9.607 20.988 -3.068 317 3HG2 THR 36 3HG2 THR 36 -11.247 20.355 -3.345 318 H VAL 37 H VAL 37 -7.844 20.713 -2.371 319 HA VAL 37 HA VAL 37 -7.095 22.380 -1.116 320 HB VAL 37 HB VAL 37 -9.613 22.449 -0.871 321 1HG1 VAL 37 1HG1 VAL 37 -10.245 20.750 0.567 322 2HG1 VAL 37 2HG1 VAL 37 -8.878 21.027 1.673 323 3HG1 VAL 37 3HG1 VAL 37 -10.256 22.154 1.661 324 1HG2 VAL 37 1HG2 VAL 37 -8.549 23.733 1.582 325 2HG2 VAL 37 2HG2 VAL 37 -7.678 24.101 0.074 326 3HG2 VAL 37 3HG2 VAL 37 -9.422 24.436 0.199 327 H THR 38 H THR 38 -6.602 23.047 1.391 328 HA THR 38 HA THR 38 -4.949 22.626 2.878 329 HB THR 38 HB THR 38 -6.613 20.239 3.715 330 HG1 THR 38 HG1 THR 38 -7.332 23.087 3.655 331 1HG2 THR 38 1HG2 THR 38 -5.771 20.837 5.751 332 2HG2 THR 38 2HG2 THR 38 -4.864 22.160 4.980 333 3HG2 THR 38 3HG2 THR 38 -6.516 22.445 5.579 334 H ALA 39 H ALA 39 -4.187 20.156 4.158 335 HA ALA 39 HA ALA 39 -3.397 18.260 2.234 336 1HB ALA 39 1HB ALA 39 -1.224 20.195 3.132 337 2HB ALA 39 2HB ALA 39 -1.022 18.778 2.075 338 3HB ALA 39 3HB ALA 39 -1.962 20.180 1.512 339 H LEU 40 H LEU 40 -1.671 16.737 3.272 340 HA LEU 40 HA LEU 40 -2.603 16.149 5.882 341 1HB LEU 40 1HB LEU 40 -0.666 14.973 3.943 342 2HB LEU 40 2HB LEU 40 -0.556 14.485 5.622 343 HG LEU 40 HG LEU 40 -3.130 14.320 4.043 344 1HD1 LEU 40 1HD1 LEU 40 -2.587 11.858 3.859 345 2HD1 LEU 40 2HD1 LEU 40 -1.634 12.947 2.822 346 3HD1 LEU 40 3HD1 LEU 40 -0.916 12.279 4.308 347 1HD2 LEU 40 1HD2 LEU 40 -2.205 13.226 6.699 348 2HD2 LEU 40 2HD2 LEU 40 -3.621 14.242 6.337 349 3HD2 LEU 40 3HD2 LEU 40 -3.591 12.540 5.817 350 H LYS 41 H LYS 41 -1.992 18.539 6.521 351 HA LYS 41 HA LYS 41 0.781 18.953 7.066 352 1HB LYS 41 1HB LYS 41 -1.705 20.481 7.155 353 2HB LYS 41 2HB LYS 41 -0.698 20.791 8.555 354 1HG LYS 41 1HG LYS 41 0.861 20.675 6.045 355 2HG LYS 41 2HG LYS 41 -0.371 21.922 6.013 356 1HD LYS 41 1HD LYS 41 1.063 21.851 8.590 357 2HD LYS 41 2HD LYS 41 2.151 22.110 7.241 358 1HE LYS 41 1HE LYS 41 0.817 24.034 6.467 359 2HE LYS 41 2HE LYS 41 -0.404 23.726 7.686 360 1HZ LYS 41 1HZ LYS 41 2.305 24.729 8.050 361 2HZ LYS 41 2HZ LYS 41 0.902 25.312 8.649 362 3HZ LYS 41 3HZ LYS 41 1.564 23.962 9.286 363 H ALA 42 H ALA 42 1.306 19.697 9.484 364 HA ALA 42 HA ALA 42 1.764 18.960 11.521 365 1HB ALA 42 1HB ALA 42 -0.442 17.913 12.665 366 2HB ALA 42 2HB ALA 42 -0.242 19.660 12.389 367 3HB ALA 42 3HB ALA 42 -1.200 18.683 11.250 368 H GLY 43 H GLY 43 3.262 17.333 11.413 369 1HA GLY 43 1HA GLY 43 2.262 14.619 10.814 370 2HA GLY 43 2HA GLY 43 3.897 15.191 10.552 371 H GLU 44 H GLU 44 4.854 16.281 12.764 372 HA GLU 44 HA GLU 44 5.616 15.929 14.766 373 1HB GLU 44 1HB GLU 44 2.774 15.091 15.050 374 2HB GLU 44 2HB GLU 44 3.843 14.473 16.294 375 1HG GLU 44 1HG GLU 44 4.732 16.925 16.483 376 2HG GLU 44 2HG GLU 44 3.315 17.377 15.558 377 HE2 GLU 44 HE2 GLU 44 2.071 18.262 17.832 378 H ASP 45 H ASP 45 7.352 14.588 14.964 379 HA ASP 45 HA ASP 45 6.908 11.826 15.378 380 1HB ASP 45 1HB ASP 45 7.249 12.594 12.707 381 2HB ASP 45 2HB ASP 45 8.875 12.152 13.187 382 HD2 ASP 45 HD2 ASP 45 9.270 10.143 12.727 Start of MODEL 6 1 H MET 1 H MET 1 15.857 -7.109 -22.334 2 HA MET 1 HA MET 1 16.341 -9.901 -23.039 3 1HB MET 1 1HB MET 1 18.109 -7.610 -22.408 4 2HB MET 1 2HB MET 1 18.462 -8.992 -21.390 5 1HG MET 1 1HG MET 1 18.181 -9.263 -24.413 6 2HG MET 1 2HG MET 1 19.709 -8.846 -23.664 7 1HE MET 1 1HE MET 1 18.732 -11.537 -25.443 8 2HE MET 1 2HE MET 1 18.269 -12.919 -24.421 9 3HE MET 1 3HE MET 1 17.192 -11.508 -24.552 10 H PHE 2 H PHE 2 16.358 -11.473 -21.369 11 HA PHE 2 HA PHE 2 16.364 -10.849 -18.655 12 1HB PHE 2 1HB PHE 2 14.083 -9.899 -19.465 13 2HB PHE 2 2HB PHE 2 13.628 -11.539 -19.881 14 HD1 PHE 2 HD1 PHE 2 15.253 -9.970 -16.898 15 HD2 PHE 2 HD2 PHE 2 12.113 -12.405 -18.389 16 HE1 PHE 2 HE1 PHE 2 14.424 -10.335 -14.557 17 HE2 PHE 2 HE2 PHE 2 11.284 -12.770 -16.048 18 HZ PHE 2 HZ PHE 2 12.450 -11.731 -14.160 19 H ILE 3 H ILE 3 16.473 -12.745 -17.385 20 HA ILE 3 HA ILE 3 16.115 -15.236 -18.900 21 HB ILE 3 HB ILE 3 18.460 -14.168 -17.487 22 1HG1 ILE 3 1HG1 ILE 3 18.534 -14.578 -19.860 23 2HG1 ILE 3 2HG1 ILE 3 19.623 -15.687 -19.050 24 1HG2 ILE 3 1HG2 ILE 3 18.216 -15.697 -15.800 25 2HG2 ILE 3 2HG2 ILE 3 17.335 -16.859 -16.822 26 3HG2 ILE 3 3HG2 ILE 3 19.097 -16.678 -16.996 27 1HD1 ILE 3 1HD1 ILE 3 17.137 -16.252 -20.573 28 2HD1 ILE 3 2HD1 ILE 3 18.561 -17.284 -20.295 29 3HD1 ILE 3 3HD1 ILE 3 17.293 -17.164 -19.052 30 H TRP 4 H TRP 4 15.112 -16.941 -17.818 31 HA TRP 4 HA TRP 4 14.035 -16.203 -15.185 32 1HB TRP 4 1HB TRP 4 12.165 -17.673 -15.697 33 2HB TRP 4 2HB TRP 4 12.313 -16.370 -16.860 34 HD1 TRP 4 HD1 TRP 4 12.946 -17.079 -19.408 35 HE1 TRP 4 HE1 TRP 4 12.905 -19.335 -20.777 36 HE3 TRP 4 HE3 TRP 4 12.580 -20.140 -15.364 37 HZ2 TRP 4 HZ2 TRP 4 12.728 -22.084 -20.032 38 HZ3 TRP 4 HZ3 TRP 4 12.478 -22.597 -15.772 39 HH2 TRP 4 HH2 TRP 4 12.547 -23.579 -18.010 40 H THR 5 H THR 5 15.729 -18.608 -17.212 41 HA THR 5 HA THR 5 15.659 -20.814 -15.574 42 HB THR 5 HB THR 5 17.715 -21.442 -16.805 43 HG1 THR 5 HG1 THR 5 17.622 -18.644 -17.663 44 1HG2 THR 5 1HG2 THR 5 16.426 -21.622 -18.683 45 2HG2 THR 5 2HG2 THR 5 15.378 -20.296 -18.126 46 3HG2 THR 5 3HG2 THR 5 16.843 -19.936 -19.071 47 H SER 6 H SER 6 18.063 -18.101 -15.485 48 HA SER 6 HA SER 6 18.142 -17.940 -12.783 49 1HB SER 6 1HB SER 6 19.854 -20.152 -13.847 50 2HB SER 6 2HB SER 6 20.608 -19.103 -12.663 51 HG SER 6 HG SER 6 18.238 -19.581 -11.613 52 H GLY 7 H GLY 7 18.848 -15.843 -12.674 53 1HA GLY 7 1HA GLY 7 21.392 -15.124 -13.856 54 2HA GLY 7 2HA GLY 7 20.000 -14.353 -14.591 55 H ARG 8 H ARG 8 18.283 -14.051 -12.330 56 HA ARG 8 HA ARG 8 19.271 -11.702 -11.307 57 1HB ARG 8 1HB ARG 8 16.895 -13.390 -10.976 58 2HB ARG 8 2HB ARG 8 17.350 -12.673 -9.444 59 1HG ARG 8 1HG ARG 8 17.640 -10.546 -11.252 60 2HG ARG 8 2HG ARG 8 16.226 -11.388 -11.854 61 1HD ARG 8 1HD ARG 8 16.307 -11.017 -8.888 62 2HD ARG 8 2HD ARG 8 16.163 -9.538 -9.817 63 HE ARG 8 HE ARG 8 14.119 -11.571 -9.495 64 1HH1 ARG 8 2HH2 ARG 8 15.351 -9.169 -11.752 65 2HH1 ARG 8 1HH2 ARG 8 13.835 -8.971 -12.566 66 1HH2 ARG 8 2HH1 ARG 8 12.119 -11.310 -10.569 67 2HH2 ARG 8 1HH1 ARG 8 11.985 -10.197 -11.889 68 H THR 9 H THR 9 19.920 -11.138 -9.072 69 HA THR 9 HA THR 9 21.237 -13.406 -7.736 70 HB THR 9 HB THR 9 22.574 -11.337 -6.754 71 HG1 THR 9 HG1 THR 9 21.253 -9.670 -7.612 72 1HG2 THR 9 1HG2 THR 9 22.854 -11.773 -9.761 73 2HG2 THR 9 2HG2 THR 9 24.133 -11.385 -8.586 74 3HG2 THR 9 3HG2 THR 9 23.390 -13.002 -8.591 75 H SER 10 H SER 10 21.732 -12.230 -5.259 76 HA SER 10 HA SER 10 19.639 -12.955 -3.814 77 1HB SER 10 1HB SER 10 20.475 -11.320 -2.044 78 2HB SER 10 2HB SER 10 21.690 -12.390 -2.715 79 HG SER 10 HG SER 10 22.093 -10.514 -4.291 80 H SER 11 H SER 11 17.956 -11.707 -2.554 81 HA SER 11 HA SER 11 16.352 -10.271 -4.255 82 1HB SER 11 1HB SER 11 16.427 -10.507 -1.225 83 2HB SER 11 2HB SER 11 15.184 -9.580 -2.039 84 HG SER 11 HG SER 11 15.284 -11.923 -3.334 85 H SER 12 H SER 12 17.018 -8.649 -1.163 86 HA SER 12 HA SER 12 17.837 -6.701 -0.640 87 1HB SER 12 1HB SER 12 19.507 -7.458 -2.826 88 2HB SER 12 2HB SER 12 19.092 -5.777 -3.097 89 HG SER 12 HG SER 12 19.645 -5.793 -0.542 90 H TYR 13 H TYR 13 15.458 -7.318 -2.751 91 HA TYR 13 HA TYR 13 14.936 -4.474 -3.305 92 1HB TYR 13 1HB TYR 13 13.814 -5.300 -5.317 93 2HB TYR 13 2HB TYR 13 15.324 -6.186 -5.235 94 HD1 TYR 13 HD1 TYR 13 11.692 -6.416 -5.091 95 HD2 TYR 13 HD2 TYR 13 15.339 -8.569 -4.485 96 HE1 TYR 13 HE1 TYR 13 10.415 -8.614 -5.160 97 HE2 TYR 13 HE2 TYR 13 14.050 -10.759 -4.556 98 HH TYR 13 HH TYR 13 12.116 -11.688 -5.142 99 H ARG 14 H ARG 14 13.486 -7.685 -2.466 100 HA ARG 14 HA ARG 14 11.119 -6.272 -1.609 101 1HB ARG 14 1HB ARG 14 11.680 -8.904 -2.690 102 2HB ARG 14 2HB ARG 14 10.926 -9.110 -1.121 103 1HG ARG 14 1HG ARG 14 9.174 -7.353 -1.930 104 2HG ARG 14 2HG ARG 14 9.830 -7.613 -3.534 105 1HD ARG 14 1HD ARG 14 9.319 -10.176 -2.204 106 2HD ARG 14 2HD ARG 14 7.871 -9.190 -2.219 107 HE ARG 14 HE ARG 14 9.044 -10.491 -4.495 108 1HH1 ARG 14 2HH2 ARG 14 7.475 -7.473 -3.593 109 2HH1 ARG 14 1HH2 ARG 14 6.862 -7.168 -5.184 110 1HH2 ARG 14 2HH1 ARG 14 8.236 -10.089 -6.594 111 2HH2 ARG 14 1HH1 ARG 14 7.297 -8.666 -6.902 112 H HIS 15 H HIS 15 13.928 -8.112 -0.422 113 HA HIS 15 HA HIS 15 13.141 -8.874 2.050 114 1HB HIS 15 1HB HIS 15 15.597 -8.438 0.660 115 2HB HIS 15 2HB HIS 15 15.768 -7.754 2.264 116 HD1 HIS 15 HD1 HIS 15 15.224 -9.461 4.322 117 HD2 HIS 15 HD2 HIS 15 15.794 -11.188 0.542 118 HE1 HIS 15 HE1 HIS 15 15.676 -11.939 4.729 119 H ASP 16 H ASP 16 13.530 -5.610 0.803 120 HA ASP 16 HA ASP 16 13.602 -4.498 3.446 121 1HB ASP 16 1HB ASP 16 13.025 -2.571 1.338 122 2HB ASP 16 2HB ASP 16 14.430 -2.670 2.381 123 HD2 ASP 16 HD2 ASP 16 16.524 -3.930 0.659 124 H GLU 17 H GLU 17 11.770 -3.599 4.491 125 HA GLU 17 HA GLU 17 9.256 -4.151 3.231 126 1HB GLU 17 1HB GLU 17 10.258 -3.876 5.942 127 2HB GLU 17 2HB GLU 17 8.870 -2.828 5.732 128 1HG GLU 17 1HG GLU 17 7.613 -4.694 6.102 129 2HG GLU 17 2HG GLU 17 8.011 -5.135 4.453 130 HE2 GLU 17 HE2 GLU 17 7.886 -7.457 5.596 131 H LYS 18 H LYS 18 11.393 -1.422 3.884 132 HA LYS 18 HA LYS 18 9.320 0.536 3.506 133 1HB LYS 18 1HB LYS 18 12.264 0.579 4.081 134 2HB LYS 18 2HB LYS 18 11.505 2.021 3.438 135 1HG LYS 18 1HG LYS 18 9.678 1.463 5.349 136 2HG LYS 18 2HG LYS 18 11.046 0.648 6.080 137 1HD LYS 18 1HD LYS 18 12.011 3.180 5.141 138 2HD LYS 18 2HD LYS 18 10.489 3.495 5.950 139 1HE LYS 18 1HE LYS 18 11.268 2.750 8.028 140 2HE LYS 18 2HE LYS 18 12.412 1.626 7.322 141 1HZ LYS 18 1HZ LYS 18 12.887 4.413 6.775 142 2HZ LYS 18 2HZ LYS 18 13.112 3.945 8.323 143 3HZ LYS 18 3HZ LYS 18 13.950 3.223 7.122 144 H ARG 19 H ARG 19 10.574 -1.661 1.454 145 HA ARG 19 HA ARG 19 10.987 0.243 -0.688 146 1HB ARG 19 1HB ARG 19 11.763 -2.622 -0.193 147 2HB ARG 19 2HB ARG 19 11.469 -2.175 -1.862 148 1HG ARG 19 1HG ARG 19 13.042 -0.069 -0.711 149 2HG ARG 19 2HG ARG 19 13.776 -1.577 -0.205 150 1HD ARG 19 1HD ARG 19 14.814 -1.137 -2.295 151 2HD ARG 19 2HD ARG 19 13.581 -2.315 -2.699 152 HE ARG 19 HE ARG 19 12.358 -0.647 -3.845 153 1HH1 ARG 19 2HH2 ARG 19 15.018 0.799 -2.053 154 2HH1 ARG 19 1HH2 ARG 19 14.866 2.343 -2.822 155 1HH2 ARG 19 2HH1 ARG 19 12.157 1.389 -4.862 156 2HH2 ARG 19 1HH1 ARG 19 13.227 2.681 -4.431 157 H ASN 20 H ASN 20 8.567 -1.696 0.752 158 HA ASN 20 HA ASN 20 7.105 -1.746 -1.771 159 1HB ASN 20 1HB ASN 20 5.922 -3.743 -0.979 160 2HB ASN 20 2HB ASN 20 7.642 -4.039 -0.830 161 1HD2 ASN 20 1HD2 ASN 20 4.645 -3.814 0.752 162 2HD2 ASN 20 2HD2 ASN 20 5.161 -4.055 2.388 163 H ILE 21 H ILE 21 7.266 0.517 0.055 164 HA ILE 21 HA ILE 21 4.646 0.406 1.373 165 HB ILE 21 HB ILE 21 5.780 2.598 2.416 166 1HG1 ILE 21 1HG1 ILE 21 8.158 2.063 2.953 167 2HG1 ILE 21 2HG1 ILE 21 8.102 0.751 1.793 168 1HG2 ILE 21 1HG2 ILE 21 6.772 0.446 3.976 169 2HG2 ILE 21 2HG2 ILE 21 5.282 1.392 4.206 170 3HG2 ILE 21 3HG2 ILE 21 5.250 -0.094 3.227 171 1HD1 ILE 21 1HD1 ILE 21 8.288 2.163 0.013 172 2HD1 ILE 21 2HD1 ILE 21 7.090 3.297 0.681 173 3HD1 ILE 21 3HD1 ILE 21 8.787 3.381 1.211 174 H TYR 22 H TYR 22 6.694 1.989 -1.050 175 HA TYR 22 HA TYR 22 5.312 4.339 -1.425 176 1HB TYR 22 1HB TYR 22 6.434 4.236 -3.610 177 2HB TYR 22 2HB TYR 22 7.486 3.398 -2.486 178 HD1 TYR 22 HD1 TYR 22 7.522 0.877 -2.461 179 HD2 TYR 22 HD2 TYR 22 5.449 3.101 -5.471 180 HE1 TYR 22 HE1 TYR 22 7.468 -1.180 -3.955 181 HE2 TYR 22 HE2 TYR 22 5.403 1.037 -6.955 182 HH TYR 22 HH TYR 22 7.327 -1.634 -6.385 183 H GLN 23 H GLN 23 4.657 1.049 -2.780 184 HA GLN 23 HA GLN 23 2.542 1.954 -4.382 185 1HB GLN 23 1HB GLN 23 4.012 -0.325 -4.297 186 2HB GLN 23 2HB GLN 23 2.595 -0.891 -3.435 187 1HG GLN 23 1HG GLN 23 1.171 0.023 -5.358 188 2HG GLN 23 2HG GLN 23 2.659 0.336 -6.229 189 1HE2 GLN 23 1HE2 GLN 23 1.176 -1.202 -7.580 190 2HE2 GLN 23 2HE2 GLN 23 1.574 -2.886 -7.494 191 H LYS 24 H LYS 24 2.849 1.724 -1.021 192 HA LYS 24 HA LYS 24 0.127 0.879 -0.535 193 1HB LYS 24 1HB LYS 24 2.487 0.692 0.892 194 2HB LYS 24 2HB LYS 24 1.655 1.998 1.711 195 1HG LYS 24 1HG LYS 24 0.470 0.392 2.800 196 2HG LYS 24 2HG LYS 24 -0.396 0.147 1.297 197 1HD LYS 24 1HD LYS 24 0.494 -1.925 1.076 198 2HD LYS 24 2HD LYS 24 2.117 -1.266 1.111 199 1HE LYS 24 1HE LYS 24 2.111 -2.710 2.980 200 2HE LYS 24 2HE LYS 24 1.805 -1.146 3.709 201 1HZ LYS 24 1HZ LYS 24 -0.053 -1.995 4.487 202 2HZ LYS 24 2HZ LYS 24 -0.639 -2.161 2.971 203 3HZ LYS 24 3HZ LYS 24 0.156 -3.399 3.680 204 H ILE 25 H ILE 25 2.102 3.814 0.320 205 HA ILE 25 HA ILE 25 0.045 5.423 1.071 206 HB ILE 25 HB ILE 25 2.438 6.348 -0.513 207 1HG1 ILE 25 1HG1 ILE 25 3.141 6.497 2.157 208 2HG1 ILE 25 2HG1 ILE 25 2.314 4.954 2.069 209 1HG2 ILE 25 1HG2 ILE 25 1.719 7.926 1.795 210 2HG2 ILE 25 2HG2 ILE 25 1.852 8.403 0.085 211 3HG2 ILE 25 3HG2 ILE 25 0.323 7.736 0.707 212 1HD1 ILE 25 1HD1 ILE 25 4.846 5.836 0.720 213 2HD1 ILE 25 2HD1 ILE 25 4.430 4.260 1.434 214 3HD1 ILE 25 3HD1 ILE 25 3.800 4.705 -0.171 215 H ARG 26 H ARG 26 1.329 4.929 -2.282 216 HA ARG 26 HA ARG 26 -0.275 6.718 -3.533 217 1HB ARG 26 1HB ARG 26 1.250 4.295 -4.276 218 2HB ARG 26 2HB ARG 26 -0.128 4.552 -5.329 219 1HG ARG 26 1HG ARG 26 0.915 7.124 -5.112 220 2HG ARG 26 2HG ARG 26 2.365 6.142 -5.061 221 1HD ARG 26 1HD ARG 26 1.989 6.570 -7.388 222 2HD ARG 26 2HD ARG 26 1.468 4.915 -7.144 223 HE ARG 26 HE ARG 26 -0.838 6.416 -6.700 224 1HH1 ARG 26 2HH2 ARG 26 1.456 6.107 -9.351 225 2HH1 ARG 26 1HH2 ARG 26 0.288 6.480 -10.574 226 1HH2 ARG 26 2HH1 ARG 26 -2.379 6.908 -8.313 227 2HH2 ARG 26 1HH1 ARG 26 -1.908 6.939 -9.980 228 H ASP 27 H ASP 27 -1.073 3.597 -2.091 229 HA ASP 27 HA ASP 27 -3.475 3.276 -3.568 230 1HB ASP 27 1HB ASP 27 -1.870 1.617 -2.050 231 2HB ASP 27 2HB ASP 27 -3.182 1.915 -0.927 232 HD2 ASP 27 HD2 ASP 27 -2.517 -0.309 -3.527 233 H HIS 28 H HIS 28 -2.364 5.011 -0.733 234 HA HIS 28 HA HIS 28 -4.992 5.156 0.450 235 1HB HIS 28 1HB HIS 28 -2.355 5.335 1.399 236 2HB HIS 28 2HB HIS 28 -3.000 6.957 1.563 237 HD1 HIS 28 HD1 HIS 28 -3.276 6.944 4.104 238 HD2 HIS 28 HD2 HIS 28 -5.235 3.754 2.211 239 HE1 HIS 28 HE1 HIS 28 -4.724 5.835 5.888 240 H ASP 29 H ASP 29 -3.115 6.774 -1.960 241 HA ASP 29 HA ASP 29 -4.104 9.361 -1.528 242 1HB ASP 29 1HB ASP 29 -2.163 8.241 -3.118 243 2HB ASP 29 2HB ASP 29 -3.419 8.500 -4.312 244 HD2 ASP 29 HD2 ASP 29 -1.514 11.636 -2.731 245 H LEU 30 H LEU 30 -5.266 6.405 -3.101 246 HA LEU 30 HA LEU 30 -7.070 7.499 -4.914 247 1HB LEU 30 1HB LEU 30 -7.037 4.881 -3.416 248 2HB LEU 30 2HB LEU 30 -8.212 5.265 -4.658 249 HG LEU 30 HG LEU 30 -5.260 5.425 -5.241 250 1HD1 LEU 30 1HD1 LEU 30 -5.709 3.030 -6.227 251 2HD1 LEU 30 2HD1 LEU 30 -5.237 3.246 -4.524 252 3HD1 LEU 30 3HD1 LEU 30 -6.944 2.967 -4.947 253 1HD2 LEU 30 1HD2 LEU 30 -7.596 5.963 -6.715 254 2HD2 LEU 30 2HD2 LEU 30 -5.918 5.894 -7.306 255 3HD2 LEU 30 3HD2 LEU 30 -6.942 4.439 -7.364 256 H LEU 31 H LEU 31 -7.011 7.574 -1.461 257 HA LEU 31 HA LEU 31 -9.862 7.717 -1.155 258 1HB LEU 31 1HB LEU 31 -7.478 7.939 0.642 259 2HB LEU 31 2HB LEU 31 -9.036 8.521 1.196 260 HG LEU 31 HG LEU 31 -9.427 5.910 0.101 261 1HD1 LEU 31 1HD1 LEU 31 -7.315 5.096 0.368 262 2HD1 LEU 31 2HD1 LEU 31 -6.917 6.230 1.682 263 3HD1 LEU 31 3HD1 LEU 31 -7.942 4.811 2.010 264 1HD2 LEU 31 1HD2 LEU 31 -10.933 6.606 1.714 265 2HD2 LEU 31 2HD2 LEU 31 -9.912 5.460 2.616 266 3HD2 LEU 31 3HD2 LEU 31 -9.660 7.213 2.799 267 H ASP 32 H ASP 32 -9.946 9.414 -2.969 268 HA ASP 32 HA ASP 32 -9.199 12.021 -1.951 269 1HB ASP 32 1HB ASP 32 -10.351 12.393 -4.468 270 2HB ASP 32 2HB ASP 32 -8.634 12.286 -4.135 271 HD2 ASP 32 HD2 ASP 32 -8.274 9.394 -5.892 272 H LYS 33 H LYS 33 -10.816 13.584 -1.440 273 HA LYS 33 HA LYS 33 -13.407 12.611 -0.909 274 1HB LYS 33 1HB LYS 33 -11.941 15.188 -0.624 275 2HB LYS 33 2HB LYS 33 -13.691 15.274 -0.647 276 1HG LYS 33 1HG LYS 33 -13.521 13.247 1.077 277 2HG LYS 33 2HG LYS 33 -11.890 13.842 1.320 278 1HD LYS 33 1HD LYS 33 -12.605 15.683 2.471 279 2HD LYS 33 2HD LYS 33 -13.886 16.019 1.324 280 1HE LYS 33 1HE LYS 33 -15.117 13.968 2.388 281 2HE LYS 33 2HE LYS 33 -13.949 14.102 3.687 282 1HZ LYS 33 1HZ LYS 33 -15.037 15.829 4.480 283 2HZ LYS 33 2HZ LYS 33 -15.030 16.621 3.053 284 3HZ LYS 33 3HZ LYS 33 -16.226 15.563 3.393 285 H ARG 34 H ARG 34 -11.924 14.489 -3.575 286 HA ARG 34 HA ARG 34 -14.466 14.172 -4.955 287 1HB ARG 34 1HB ARG 34 -12.602 16.515 -5.498 288 2HB ARG 34 2HB ARG 34 -14.296 16.362 -5.920 289 1HG ARG 34 1HG ARG 34 -14.823 16.325 -3.413 290 2HG ARG 34 2HG ARG 34 -13.139 16.711 -3.116 291 1HD ARG 34 1HD ARG 34 -14.294 18.820 -3.110 292 2HD ARG 34 2HD ARG 34 -13.444 18.758 -4.641 293 HE ARG 34 HE ARG 34 -15.934 17.637 -5.205 294 1HH1 ARG 34 2HH2 ARG 34 -14.827 20.695 -3.861 295 2HH1 ARG 34 1HH2 ARG 34 -16.184 21.593 -4.453 296 1HH2 ARG 34 2HH1 ARG 34 -17.725 18.822 -5.987 297 2HH2 ARG 34 1HH1 ARG 34 -17.844 20.521 -5.671 298 H LYS 35 H LYS 35 -11.079 15.320 -5.680 299 HA LYS 35 HA LYS 35 -9.791 14.907 -7.458 300 1HB LYS 35 1HB LYS 35 -9.108 13.167 -5.939 301 2HB LYS 35 2HB LYS 35 -10.419 12.122 -6.447 302 1HG LYS 35 1HG LYS 35 -8.724 11.251 -7.772 303 2HG LYS 35 2HG LYS 35 -9.334 12.472 -8.872 304 1HD LYS 35 1HD LYS 35 -7.540 13.973 -7.426 305 2HD LYS 35 2HD LYS 35 -6.764 12.404 -7.346 306 1HE LYS 35 1HE LYS 35 -6.647 12.220 -9.752 307 2HE LYS 35 2HE LYS 35 -7.766 13.549 -9.986 308 1HZ LYS 35 1HZ LYS 35 -5.644 14.406 -10.321 309 2HZ LYS 35 2HZ LYS 35 -6.056 14.942 -8.834 310 3HZ LYS 35 3HZ LYS 35 -5.014 13.694 -8.992 311 H THR 36 H THR 36 -11.400 11.846 -8.175 312 HA THR 36 HA THR 36 -13.283 12.817 -10.021 313 HB THR 36 HB THR 36 -10.759 13.289 -10.966 314 HG1 THR 36 HG1 THR 36 -12.736 13.860 -12.042 315 1HG2 THR 36 1HG2 THR 36 -9.884 11.543 -12.226 316 2HG2 THR 36 2HG2 THR 36 -10.678 10.549 -10.981 317 3HG2 THR 36 3HG2 THR 36 -11.488 10.839 -12.539 318 H VAL 37 H VAL 37 -13.317 10.740 -11.886 319 HA VAL 37 HA VAL 37 -13.325 8.346 -10.199 320 HB VAL 37 HB VAL 37 -15.584 9.610 -10.453 321 1HG1 VAL 37 1HG1 VAL 37 -16.170 8.022 -12.849 322 2HG1 VAL 37 2HG1 VAL 37 -16.611 9.699 -12.448 323 3HG1 VAL 37 3HG1 VAL 37 -15.013 9.341 -13.146 324 1HG2 VAL 37 1HG2 VAL 37 -16.258 6.905 -11.199 325 2HG2 VAL 37 2HG2 VAL 37 -14.855 6.902 -10.103 326 3HG2 VAL 37 3HG2 VAL 37 -16.369 7.700 -9.611 327 H THR 38 H THR 38 -14.659 6.864 -12.446 328 HA THR 38 HA THR 38 -13.866 5.505 -14.045 329 HB THR 38 HB THR 38 -14.718 7.559 -15.250 330 HG1 THR 38 HG1 THR 38 -14.039 6.272 -16.914 331 1HG2 THR 38 1HG2 THR 38 -11.739 8.261 -15.175 332 2HG2 THR 38 2HG2 THR 38 -12.879 8.957 -16.352 333 3HG2 THR 38 3HG2 THR 38 -13.091 9.273 -14.614 334 H ALA 39 H ALA 39 -11.767 5.492 -15.827 335 HA ALA 39 HA ALA 39 -9.304 6.137 -14.627 336 1HB ALA 39 1HB ALA 39 -8.706 4.255 -13.497 337 2HB ALA 39 2HB ALA 39 -10.463 4.010 -13.354 338 3HB ALA 39 3HB ALA 39 -9.550 3.179 -14.637 339 H LEU 40 H LEU 40 -7.483 5.392 -15.990 340 HA LEU 40 HA LEU 40 -8.404 4.400 -18.593 341 1HB LEU 40 1HB LEU 40 -6.556 6.721 -18.037 342 2HB LEU 40 2HB LEU 40 -6.693 5.942 -19.601 343 HG LEU 40 HG LEU 40 -9.284 6.773 -18.490 344 1HD1 LEU 40 1HD1 LEU 40 -8.540 8.723 -17.634 345 2HD1 LEU 40 2HD1 LEU 40 -7.034 8.697 -18.583 346 3HD1 LEU 40 3HD1 LEU 40 -8.555 9.229 -19.340 347 1HD2 LEU 40 1HD2 LEU 40 -7.848 6.755 -21.097 348 2HD2 LEU 40 2HD2 LEU 40 -9.494 6.220 -20.682 349 3HD2 LEU 40 3HD2 LEU 40 -9.145 7.954 -20.879 350 H LYS 41 H LYS 41 -7.756 2.288 -17.718 351 HA LYS 41 HA LYS 41 -5.274 1.714 -16.698 352 1HB LYS 41 1HB LYS 41 -5.884 -0.478 -16.914 353 2HB LYS 41 2HB LYS 41 -7.455 0.281 -17.068 354 1HG LYS 41 1HG LYS 41 -7.330 0.164 -19.527 355 2HG LYS 41 2HG LYS 41 -5.686 -0.438 -19.452 356 1HD LYS 41 1HD LYS 41 -6.410 -2.571 -19.174 357 2HD LYS 41 2HD LYS 41 -7.383 -2.114 -17.790 358 1HE LYS 41 1HE LYS 41 -9.181 -2.618 -19.102 359 2HE LYS 41 2HE LYS 41 -8.886 -1.073 -19.874 360 1HZ LYS 41 1HZ LYS 41 -7.243 -3.183 -20.869 361 2HZ LYS 41 2HZ LYS 41 -8.838 -3.432 -21.117 362 3HZ LYS 41 3HZ LYS 41 -8.125 -2.077 -21.685 363 H ALA 42 H ALA 42 -3.729 0.074 -18.081 364 HA ALA 42 HA ALA 42 -3.318 0.766 -20.779 365 1HB ALA 42 1HB ALA 42 -1.788 2.449 -20.714 366 2HB ALA 42 2HB ALA 42 -2.521 2.802 -19.131 367 3HB ALA 42 3HB ALA 42 -1.029 1.837 -19.225 368 H GLY 43 H GLY 43 -1.251 -0.264 -21.600 369 1HA GLY 43 1HA GLY 43 0.147 -2.044 -19.825 370 2HA GLY 43 2HA GLY 43 -1.005 -2.869 -20.856 371 H GLU 44 H GLU 44 -0.743 -2.829 -23.189 372 HA GLU 44 HA GLU 44 0.388 -2.876 -25.041 373 1HB GLU 44 1HB GLU 44 0.607 -0.318 -24.368 374 2HB GLU 44 2HB GLU 44 2.297 -0.714 -24.136 375 1HG GLU 44 1HG GLU 44 1.396 -1.878 -26.640 376 2HG GLU 44 2HG GLU 44 0.939 -0.187 -26.604 377 HE2 GLU 44 HE2 GLU 44 3.033 -1.661 -27.985 378 H ASP 45 H ASP 45 2.217 -3.946 -25.975 379 HA ASP 45 HA ASP 45 3.812 -5.426 -25.921 380 1HB ASP 45 1HB ASP 45 4.855 -2.989 -24.650 381 2HB ASP 45 2HB ASP 45 5.723 -4.407 -24.097 382 HD2 ASP 45 HD2 ASP 45 6.883 -5.596 -25.826 Start of MODEL 7 1 H MET 1 H MET 1 3.944 -24.732 10.176 2 HA MET 1 HA MET 1 1.956 -23.648 9.488 3 1HB MET 1 1HB MET 1 4.612 -22.208 9.168 4 2HB MET 1 2HB MET 1 3.143 -21.320 8.818 5 1HG MET 1 1HG MET 1 2.263 -21.852 11.093 6 2HG MET 1 2HG MET 1 3.708 -22.779 11.446 7 1HE MET 1 1HE MET 1 5.775 -21.663 12.640 8 2HE MET 1 2HE MET 1 5.300 -20.158 13.464 9 3HE MET 1 3HE MET 1 4.212 -21.566 13.486 10 H PHE 2 H PHE 2 0.541 -23.187 7.823 11 HA PHE 2 HA PHE 2 1.303 -22.261 5.324 12 1HB PHE 2 1HB PHE 2 1.948 -24.962 5.685 13 2HB PHE 2 2HB PHE 2 0.334 -25.090 5.015 14 HD1 PHE 2 HD1 PHE 2 3.529 -23.269 4.353 15 HD2 PHE 2 HD2 PHE 2 0.133 -25.223 2.724 16 HE1 PHE 2 HE1 PHE 2 4.464 -22.968 2.043 17 HE2 PHE 2 HE2 PHE 2 1.067 -24.921 0.414 18 HZ PHE 2 HZ PHE 2 3.221 -23.797 0.101 19 H ILE 3 H ILE 3 -0.583 -22.383 3.716 20 HA ILE 3 HA ILE 3 -3.101 -22.712 5.192 21 HB ILE 3 HB ILE 3 -1.997 -20.374 3.783 22 1HG1 ILE 3 1HG1 ILE 3 -2.398 -20.296 6.159 23 2HG1 ILE 3 2HG1 ILE 3 -3.494 -19.193 5.351 24 1HG2 ILE 3 1HG2 ILE 3 -4.872 -21.229 3.361 25 2HG2 ILE 3 2HG2 ILE 3 -4.244 -19.592 3.057 26 3HG2 ILE 3 3HG2 ILE 3 -3.625 -20.971 2.117 27 1HD1 ILE 3 1HD1 ILE 3 -4.916 -21.618 5.390 28 2HD1 ILE 3 2HD1 ILE 3 -4.105 -21.559 6.973 29 3HD1 ILE 3 3HD1 ILE 3 -5.174 -20.227 6.471 30 H TRP 4 H TRP 4 -4.799 -23.691 4.074 31 HA TRP 4 HA TRP 4 -4.008 -24.809 1.476 32 1HB TRP 4 1HB TRP 4 -5.515 -26.630 1.939 33 2HB TRP 4 2HB TRP 4 -4.336 -26.467 3.225 34 HD1 TRP 4 HD1 TRP 4 -5.288 -25.806 5.671 35 HE1 TRP 4 HE1 TRP 4 -7.673 -25.739 6.800 36 HE3 TRP 4 HE3 TRP 4 -7.927 -26.092 1.334 37 HZ2 TRP 4 HZ2 TRP 4 -10.335 -25.812 5.775 38 HZ3 TRP 4 HZ3 TRP 4 -10.415 -26.089 1.487 39 HH2 TRP 4 HH2 TRP 4 -11.620 -25.956 3.609 40 H THR 5 H THR 5 -6.160 -22.684 3.243 41 HA THR 5 HA THR 5 -8.382 -22.776 1.515 42 HB THR 5 HB THR 5 -8.937 -20.635 2.695 43 HG1 THR 5 HG1 THR 5 -6.494 -20.104 2.577 44 1HG2 THR 5 1HG2 THR 5 -9.488 -22.292 4.254 45 2HG2 THR 5 2HG2 THR 5 -7.857 -23.004 4.220 46 3HG2 THR 5 3HG2 THR 5 -8.157 -21.507 5.137 47 H SER 6 H SER 6 -7.963 -19.576 1.423 48 HA SER 6 HA SER 6 -6.067 -19.240 -0.586 49 1HB SER 6 1HB SER 6 -8.286 -20.503 -1.610 50 2HB SER 6 2HB SER 6 -8.736 -18.826 -1.849 51 HG SER 6 HG SER 6 -6.556 -20.297 -2.974 52 H GLY 7 H GLY 7 -5.463 -17.266 0.276 53 1HA GLY 7 1HA GLY 7 -7.333 -15.069 0.062 54 2HA GLY 7 2HA GLY 7 -6.883 -15.480 1.705 55 H ARG 8 H ARG 8 -4.249 -16.128 1.688 56 HA ARG 8 HA ARG 8 -3.000 -13.733 1.595 57 1HB ARG 8 1HB ARG 8 -0.957 -14.946 1.978 58 2HB ARG 8 2HB ARG 8 -2.221 -15.934 2.683 59 1HG ARG 8 1HG ARG 8 -2.315 -17.215 0.456 60 2HG ARG 8 2HG ARG 8 -0.876 -16.339 -0.025 61 1HD ARG 8 1HD ARG 8 0.015 -17.208 2.373 62 2HD ARG 8 2HD ARG 8 -1.191 -18.451 2.104 63 HE ARG 8 HE ARG 8 0.217 -19.386 0.502 64 1HH1 ARG 8 2HH2 ARG 8 1.015 -15.975 0.831 65 2HH1 ARG 8 1HH2 ARG 8 2.352 -16.050 -0.267 66 1HH2 ARG 8 2HH1 ARG 8 1.982 -19.486 -0.947 67 2HH2 ARG 8 1HH1 ARG 8 2.906 -18.061 -1.286 68 H THR 9 H THR 9 -1.321 -12.838 0.133 69 HA THR 9 HA THR 9 -1.780 -13.674 -2.652 70 HB THR 9 HB THR 9 -0.845 -11.211 -2.964 71 HG1 THR 9 HG1 THR 9 -0.904 -10.062 -1.011 72 1HG2 THR 9 1HG2 THR 9 -3.320 -11.966 -3.205 73 2HG2 THR 9 2HG2 THR 9 -3.521 -11.453 -1.513 74 3HG2 THR 9 3HG2 THR 9 -3.056 -10.265 -2.754 75 H SER 10 H SER 10 0.390 -12.404 -3.854 76 HA SER 10 HA SER 10 2.252 -14.292 -3.870 77 1HB SER 10 1HB SER 10 3.860 -12.508 -4.673 78 2HB SER 10 2HB SER 10 2.306 -12.501 -5.483 79 HG SER 10 HG SER 10 2.199 -10.444 -4.915 80 H SER 11 H SER 11 4.610 -14.249 -3.064 81 HA SER 11 HA SER 11 4.504 -13.813 -0.234 82 1HB SER 11 1HB SER 11 6.575 -15.091 -0.160 83 2HB SER 11 2HB SER 11 5.450 -15.910 -1.224 84 HG SER 11 HG SER 11 6.599 -15.259 -3.028 85 H SER 12 H SER 12 6.211 -12.583 -3.149 86 HA SER 12 HA SER 12 7.952 -10.949 -1.630 87 1HB SER 12 1HB SER 12 7.256 -11.122 -4.584 88 2HB SER 12 2HB SER 12 8.357 -9.902 -3.974 89 HG SER 12 HG SER 12 8.659 -12.775 -3.766 90 H TYR 13 H TYR 13 5.573 -10.338 -0.528 91 HA TYR 13 HA TYR 13 4.870 -7.755 -1.752 92 1HB TYR 13 1HB TYR 13 2.576 -8.267 -1.154 93 2HB TYR 13 2HB TYR 13 3.187 -9.785 -1.781 94 HD1 TYR 13 HD1 TYR 13 1.645 -8.159 1.002 95 HD2 TYR 13 HD2 TYR 13 4.090 -11.505 -0.059 96 HE1 TYR 13 HE1 TYR 13 1.015 -9.317 3.175 97 HE2 TYR 13 HE2 TYR 13 3.453 -12.652 2.118 98 HH TYR 13 HH TYR 13 2.459 -11.319 4.631 99 H ARG 14 H ARG 14 5.140 -9.723 1.269 100 HA ARG 14 HA ARG 14 5.135 -7.234 2.746 101 1HB ARG 14 1HB ARG 14 4.420 -10.058 3.335 102 2HB ARG 14 2HB ARG 14 5.334 -9.297 4.622 103 1HG ARG 14 1HG ARG 14 3.030 -7.772 3.394 104 2HG ARG 14 2HG ARG 14 2.670 -9.077 4.508 105 1HD ARG 14 1HD ARG 14 4.665 -7.744 5.889 106 2HD ARG 14 2HD ARG 14 3.895 -6.413 5.047 107 HE ARG 14 HE ARG 14 1.977 -8.226 6.317 108 1HH1 ARG 14 2HH2 ARG 14 4.043 -5.419 6.807 109 2HH1 ARG 14 1HH2 ARG 14 3.117 -4.811 8.139 110 1HH2 ARG 14 2HH1 ARG 14 0.756 -7.424 8.075 111 2HH2 ARG 14 1HH1 ARG 14 1.236 -5.959 8.865 112 H HIS 15 H HIS 15 7.127 -10.040 1.815 113 HA HIS 15 HA HIS 15 9.133 -10.007 3.608 114 1HB HIS 15 1HB HIS 15 8.847 -10.701 0.763 115 2HB HIS 15 2HB HIS 15 10.494 -10.326 1.232 116 HD1 HIS 15 HD1 HIS 15 10.402 -13.099 0.510 117 HD2 HIS 15 HD2 HIS 15 9.048 -11.905 4.296 118 HE1 HIS 15 HE1 HIS 15 10.457 -15.184 1.980 119 H ASP 16 H ASP 16 8.280 -7.493 1.289 120 HA ASP 16 HA ASP 16 10.821 -6.200 1.628 121 1HB ASP 16 1HB ASP 16 8.805 -4.519 0.388 122 2HB ASP 16 2HB ASP 16 10.265 -5.181 -0.321 123 HD2 ASP 16 HD2 ASP 16 6.836 -6.238 0.186 124 H GLU 17 H GLU 17 11.142 -4.399 3.013 125 HA GLU 17 HA GLU 17 8.997 -3.873 4.838 126 1HB GLU 17 1HB GLU 17 11.940 -3.469 4.762 127 2HB GLU 17 2HB GLU 17 11.062 -2.195 5.585 128 1HG GLU 17 1HG GLU 17 9.796 -4.208 6.771 129 2HG GLU 17 2HG GLU 17 11.185 -5.146 6.260 130 HE2 GLU 17 HE2 GLU 17 11.910 -4.790 9.113 131 H LYS 18 H LYS 18 11.337 -1.381 3.763 132 HA LYS 18 HA LYS 18 9.112 0.400 3.275 133 1HB LYS 18 1HB LYS 18 12.070 0.695 3.674 134 2HB LYS 18 2HB LYS 18 11.199 1.971 2.849 135 1HG LYS 18 1HG LYS 18 9.574 1.298 5.080 136 2HG LYS 18 2HG LYS 18 11.215 1.290 5.696 137 1HD LYS 18 1HD LYS 18 11.600 3.566 5.034 138 2HD LYS 18 2HD LYS 18 10.211 3.581 3.966 139 1HE LYS 18 1HE LYS 18 8.714 3.287 5.999 140 2HE LYS 18 2HE LYS 18 10.133 3.430 7.017 141 1HZ LYS 18 1HZ LYS 18 9.624 5.496 5.035 142 2HZ LYS 18 2HZ LYS 18 8.750 5.498 6.415 143 3HZ LYS 18 3HZ LYS 18 10.378 5.613 6.479 144 H ARG 19 H ARG 19 10.121 -2.034 1.511 145 HA ARG 19 HA ARG 19 10.590 -0.525 -0.907 146 1HB ARG 19 1HB ARG 19 11.029 -3.368 -0.025 147 2HB ARG 19 2HB ARG 19 10.696 -3.124 -1.729 148 1HG ARG 19 1HG ARG 19 12.568 -1.101 -1.075 149 2HG ARG 19 2HG ARG 19 13.133 -2.518 -0.211 150 1HD ARG 19 1HD ARG 19 14.155 -2.617 -2.392 151 2HD ARG 19 2HD ARG 19 12.897 -3.837 -2.395 152 HE ARG 19 HE ARG 19 11.927 -1.254 -3.346 153 1HH1 ARG 19 2HH2 ARG 19 13.618 -4.189 -4.300 154 2HH1 ARG 19 1HH2 ARG 19 13.205 -4.035 -5.975 155 1HH2 ARG 19 2HH1 ARG 19 11.382 -1.051 -5.556 156 2HH2 ARG 19 1HH1 ARG 19 11.925 -2.239 -6.694 157 H ASN 20 H ASN 20 8.039 -1.902 0.906 158 HA ASN 20 HA ASN 20 6.426 -2.095 -1.516 159 1HB ASN 20 1HB ASN 20 6.866 -4.255 -0.052 160 2HB ASN 20 2HB ASN 20 5.748 -3.529 1.085 161 1HD2 ASN 20 1HD2 ASN 20 3.773 -4.226 0.908 162 2HD2 ASN 20 2HD2 ASN 20 2.942 -4.696 -0.538 163 H ILE 21 H ILE 21 6.936 0.354 -0.081 164 HA ILE 21 HA ILE 21 4.415 0.732 1.379 165 HB ILE 21 HB ILE 21 5.881 2.868 2.087 166 1HG1 ILE 21 1HG1 ILE 21 8.184 2.051 2.632 167 2HG1 ILE 21 2HG1 ILE 21 7.889 0.643 1.631 168 1HG2 ILE 21 1HG2 ILE 21 5.788 1.985 4.171 169 2HG2 ILE 21 2HG2 ILE 21 4.731 0.806 3.357 170 3HG2 ILE 21 3HG2 ILE 21 6.440 0.410 3.659 171 1HD1 ILE 21 1HD1 ILE 21 7.198 3.168 0.261 172 2HD1 ILE 21 2HD1 ILE 21 8.910 3.072 0.737 173 3HD1 ILE 21 3HD1 ILE 21 8.203 1.810 -0.300 174 H TYR 22 H TYR 22 6.543 1.775 -1.270 175 HA TYR 22 HA TYR 22 5.455 4.211 -1.893 176 1HB TYR 22 1HB TYR 22 6.427 3.699 -4.086 177 2HB TYR 22 2HB TYR 22 7.407 2.830 -2.921 178 HD1 TYR 22 HD1 TYR 22 7.027 0.348 -2.592 179 HD2 TYR 22 HD2 TYR 22 5.210 2.546 -5.781 180 HE1 TYR 22 HE1 TYR 22 6.575 -1.821 -3.840 181 HE2 TYR 22 HE2 TYR 22 4.764 0.370 -7.018 182 HH TYR 22 HH TYR 22 5.963 -2.704 -5.747 183 H GLN 23 H GLN 23 4.247 0.911 -2.725 184 HA GLN 23 HA GLN 23 2.156 1.961 -4.313 185 1HB GLN 23 1HB GLN 23 3.366 -0.481 -4.126 186 2HB GLN 23 2HB GLN 23 1.919 -0.799 -3.190 187 1HG GLN 23 1HG GLN 23 0.664 0.360 -5.215 188 2HG GLN 23 2HG GLN 23 2.141 0.030 -6.098 189 1HE2 GLN 23 1HE2 GLN 23 -0.704 -1.043 -6.098 190 2HE2 GLN 23 2HE2 GLN 23 -0.541 -2.767 -6.092 191 H LYS 24 H LYS 24 2.687 2.141 -1.042 192 HA LYS 24 HA LYS 24 -0.079 1.610 -0.293 193 1HB LYS 24 1HB LYS 24 2.174 0.946 0.988 194 2HB LYS 24 2HB LYS 24 1.966 2.545 1.672 195 1HG LYS 24 1HG LYS 24 -0.342 0.563 1.575 196 2HG LYS 24 2HG LYS 24 0.824 0.531 2.882 197 1HD LYS 24 1HD LYS 24 0.324 3.080 3.150 198 2HD LYS 24 2HD LYS 24 -1.069 2.791 2.126 199 1HE LYS 24 1HE LYS 24 -1.045 0.722 4.127 200 2HE LYS 24 2HE LYS 24 -0.769 2.242 4.953 201 1HZ LYS 24 1HZ LYS 24 -2.812 2.341 2.952 202 2HZ LYS 24 2HZ LYS 24 -3.155 1.355 4.208 203 3HZ LYS 24 3HZ LYS 24 -2.815 2.930 4.475 204 H ILE 25 H ILE 25 2.375 4.242 0.251 205 HA ILE 25 HA ILE 25 0.690 6.186 1.076 206 HB ILE 25 HB ILE 25 2.984 6.638 -0.828 207 1HG1 ILE 25 1HG1 ILE 25 3.996 6.842 1.744 208 2HG1 ILE 25 2HG1 ILE 25 2.965 5.429 1.843 209 1HG2 ILE 25 1HG2 ILE 25 3.030 8.524 1.216 210 2HG2 ILE 25 2HG2 ILE 25 2.481 8.773 -0.459 211 3HG2 ILE 25 3HG2 ILE 25 1.305 8.356 0.810 212 1HD1 ILE 25 1HD1 ILE 25 5.445 5.865 0.222 213 2HD1 ILE 25 2HD1 ILE 25 4.859 4.391 1.030 214 3HD1 ILE 25 3HD1 ILE 25 4.162 4.888 -0.531 215 H ARG 26 H ARG 26 1.640 5.628 -2.391 216 HA ARG 26 HA ARG 26 -0.019 7.483 -3.455 217 1HB ARG 26 1HB ARG 26 1.382 5.052 -4.391 218 2HB ARG 26 2HB ARG 26 -0.066 5.378 -5.323 219 1HG ARG 26 1HG ARG 26 1.054 7.915 -5.111 220 2HG ARG 26 2HG ARG 26 2.481 6.902 -5.196 221 1HD ARG 26 1HD ARG 26 2.100 7.164 -7.471 222 2HD ARG 26 2HD ARG 26 1.120 5.737 -7.203 223 HE ARG 26 HE ARG 26 -0.686 7.724 -6.689 224 1HH1 ARG 26 2HH2 ARG 26 1.567 7.245 -9.350 225 2HH1 ARG 26 1HH2 ARG 26 0.576 8.070 -10.506 226 1HH2 ARG 26 2HH1 ARG 26 -1.994 8.813 -8.214 227 2HH2 ARG 26 1HH1 ARG 26 -1.463 8.968 -9.856 228 H ASP 27 H ASP 27 -0.773 4.336 -2.050 229 HA ASP 27 HA ASP 27 -3.264 4.054 -3.350 230 1HB ASP 27 1HB ASP 27 -1.595 2.435 -1.808 231 2HB ASP 27 2HB ASP 27 -2.927 2.737 -0.710 232 HD2 ASP 27 HD2 ASP 27 -5.024 2.323 -3.233 233 H HIS 28 H HIS 28 -1.976 5.764 -0.552 234 HA HIS 28 HA HIS 28 -4.351 5.904 0.950 235 1HB HIS 28 1HB HIS 28 -1.669 6.647 1.253 236 2HB HIS 28 2HB HIS 28 -2.548 8.162 1.308 237 HD1 HIS 28 HD1 HIS 28 -2.216 8.532 3.834 238 HD2 HIS 28 HD2 HIS 28 -4.109 4.907 2.900 239 HE1 HIS 28 HE1 HIS 28 -3.096 7.596 6.039 240 H ASP 29 H ASP 29 -2.988 7.755 -1.774 241 HA ASP 29 HA ASP 29 -4.562 10.000 -1.518 242 1HB ASP 29 1HB ASP 29 -2.680 9.934 -3.062 243 2HB ASP 29 2HB ASP 29 -3.378 8.592 -3.949 244 HD2 ASP 29 HD2 ASP 29 -4.048 9.528 -5.992 245 H LEU 30 H LEU 30 -4.936 7.428 -4.076 246 HA LEU 30 HA LEU 30 -7.583 8.061 -4.646 247 1HB LEU 30 1HB LEU 30 -6.209 5.405 -5.054 248 2HB LEU 30 2HB LEU 30 -7.602 6.021 -5.920 249 HG LEU 30 HG LEU 30 -5.038 7.576 -6.010 250 1HD1 LEU 30 1HD1 LEU 30 -4.206 6.271 -7.870 251 2HD1 LEU 30 2HD1 LEU 30 -4.396 5.229 -6.439 252 3HD1 LEU 30 3HD1 LEU 30 -5.593 5.161 -7.755 253 1HD2 LEU 30 1HD2 LEU 30 -6.233 8.794 -7.424 254 2HD2 LEU 30 2HD2 LEU 30 -6.332 7.394 -8.519 255 3HD2 LEU 30 3HD2 LEU 30 -7.600 7.661 -7.299 256 H LEU 31 H LEU 31 -6.163 6.426 -1.938 257 HA LEU 31 HA LEU 31 -7.009 5.049 -0.381 258 1HB LEU 31 1HB LEU 31 -8.471 7.559 -0.528 259 2HB LEU 31 2HB LEU 31 -9.416 6.298 0.237 260 HG LEU 31 HG LEU 31 -6.625 6.504 1.194 261 1HD1 LEU 31 1HD1 LEU 31 -8.491 8.626 2.197 262 2HD1 LEU 31 2HD1 LEU 31 -6.715 8.539 2.266 263 3HD1 LEU 31 3HD1 LEU 31 -7.528 8.916 0.729 264 1HD2 LEU 31 1HD2 LEU 31 -8.271 6.622 3.368 265 2HD2 LEU 31 2HD2 LEU 31 -9.293 5.760 2.193 266 3HD2 LEU 31 3HD2 LEU 31 -7.683 5.124 2.609 267 H ASP 32 H ASP 32 -7.288 3.163 -1.749 268 HA ASP 32 HA ASP 32 -10.072 2.764 -2.502 269 1HB ASP 32 1HB ASP 32 -7.586 2.250 -3.849 270 2HB ASP 32 2HB ASP 32 -8.290 0.689 -3.478 271 HD2 ASP 32 HD2 ASP 32 -8.000 2.011 -6.049 272 H LYS 33 H LYS 33 -7.499 1.913 -0.328 273 HA LYS 33 HA LYS 33 -7.778 -0.723 0.197 274 1HB LYS 33 1HB LYS 33 -6.955 1.669 1.701 275 2HB LYS 33 2HB LYS 33 -7.515 0.357 2.719 276 1HG LYS 33 1HG LYS 33 -5.981 -1.139 1.131 277 2HG LYS 33 2HG LYS 33 -5.198 0.387 0.773 278 1HD LYS 33 1HD LYS 33 -4.148 0.437 2.793 279 2HD LYS 33 2HD LYS 33 -5.632 0.092 3.659 280 1HE LYS 33 1HE LYS 33 -5.316 -2.239 3.569 281 2HE LYS 33 2HE LYS 33 -4.323 -2.159 2.127 282 1HZ LYS 33 1HZ LYS 33 -2.652 -2.327 3.550 283 2HZ LYS 33 2HZ LYS 33 -2.902 -0.755 3.916 284 3HZ LYS 33 3HZ LYS 33 -3.550 -1.925 4.854 285 H ARG 34 H ARG 34 -10.075 1.902 0.888 286 HA ARG 34 HA ARG 34 -11.706 0.024 2.360 287 1HB ARG 34 1HB ARG 34 -11.541 3.011 2.129 288 2HB ARG 34 2HB ARG 34 -13.150 2.361 2.372 289 1HG ARG 34 1HG ARG 34 -11.426 0.951 4.176 290 2HG ARG 34 2HG ARG 34 -10.996 2.646 4.301 291 1HD ARG 34 1HD ARG 34 -12.793 2.139 5.904 292 2HD ARG 34 2HD ARG 34 -13.402 3.231 4.676 293 HE ARG 34 HE ARG 34 -14.800 1.521 3.849 294 1HH1 ARG 34 2HH2 ARG 34 -12.494 0.188 6.148 295 2HH1 ARG 34 1HH2 ARG 34 -13.285 -1.350 6.245 296 1HH2 ARG 34 2HH1 ARG 34 -15.844 -0.507 3.976 297 2HH2 ARG 34 1HH1 ARG 34 -15.204 -1.748 5.001 298 H LYS 35 H LYS 35 -14.294 0.985 1.805 299 HA LYS 35 HA LYS 35 -15.954 0.918 0.347 300 1HB LYS 35 1HB LYS 35 -14.755 2.682 -0.866 301 2HB LYS 35 2HB LYS 35 -13.834 1.481 -1.748 302 1HG LYS 35 1HG LYS 35 -15.705 2.230 -3.140 303 2HG LYS 35 2HG LYS 35 -15.959 0.553 -2.699 304 1HD LYS 35 1HD LYS 35 -17.488 1.258 -0.856 305 2HD LYS 35 2HD LYS 35 -17.220 2.940 -1.266 306 1HE LYS 35 1HE LYS 35 -18.032 1.330 -3.608 307 2HE LYS 35 2HE LYS 35 -19.224 1.287 -2.324 308 1HZ LYS 35 1HZ LYS 35 -19.837 3.236 -3.142 309 2HZ LYS 35 2HZ LYS 35 -18.523 3.874 -2.412 310 3HZ LYS 35 3HZ LYS 35 -18.460 3.461 -3.990 311 H THR 36 H THR 36 -16.930 -0.504 -1.405 312 HA THR 36 HA THR 36 -15.517 -2.736 -2.365 313 HB THR 36 HB THR 36 -15.880 -2.985 0.335 314 HG1 THR 36 HG1 THR 36 -14.787 -4.563 -0.902 315 1HG2 THR 36 1HG2 THR 36 -18.512 -3.073 -0.426 316 2HG2 THR 36 2HG2 THR 36 -18.062 -4.776 -0.680 317 3HG2 THR 36 3HG2 THR 36 -17.866 -4.035 0.926 318 H VAL 37 H VAL 37 -17.569 -4.619 -2.555 319 HA VAL 37 HA VAL 37 -19.566 -3.043 -4.027 320 HB VAL 37 HB VAL 37 -18.107 -4.300 -5.486 321 1HG1 VAL 37 1HG1 VAL 37 -18.244 -6.277 -3.417 322 2HG1 VAL 37 2HG1 VAL 37 -18.813 -7.005 -4.938 323 3HG1 VAL 37 3HG1 VAL 37 -17.207 -6.241 -4.863 324 1HG2 VAL 37 1HG2 VAL 37 -19.758 -5.504 -6.755 325 2HG2 VAL 37 2HG2 VAL 37 -20.778 -5.730 -5.314 326 3HG2 VAL 37 3HG2 VAL 37 -20.554 -4.103 -6.000 327 H THR 38 H THR 38 -21.713 -4.338 -4.287 328 HA THR 38 HA THR 38 -22.890 -4.629 -1.835 329 HB THR 38 HB THR 38 -23.794 -6.263 -4.225 330 HG1 THR 38 HG1 THR 38 -23.899 -4.358 -5.388 331 1HG2 THR 38 1HG2 THR 38 -25.744 -4.397 -3.452 332 2HG2 THR 38 2HG2 THR 38 -25.710 -6.110 -2.968 333 3HG2 THR 38 3HG2 THR 38 -24.998 -4.870 -1.907 334 H ALA 39 H ALA 39 -24.091 -6.805 -1.169 335 HA ALA 39 HA ALA 39 -22.643 -9.194 -1.509 336 1HB ALA 39 1HB ALA 39 -20.913 -8.664 -0.120 337 2HB ALA 39 2HB ALA 39 -21.820 -7.361 0.683 338 3HB ALA 39 3HB ALA 39 -22.090 -9.055 1.157 339 H LEU 40 H LEU 40 -23.621 -10.963 -0.216 340 HA LEU 40 HA LEU 40 -25.544 -12.000 0.259 341 1HB LEU 40 1HB LEU 40 -25.142 -9.966 2.425 342 2HB LEU 40 2HB LEU 40 -26.522 -11.045 2.475 343 HG LEU 40 HG LEU 40 -23.939 -12.397 2.009 344 1HD1 LEU 40 1HD1 LEU 40 -23.083 -12.175 4.240 345 2HD1 LEU 40 2HD1 LEU 40 -23.274 -10.548 3.544 346 3HD1 LEU 40 3HD1 LEU 40 -24.461 -11.157 4.722 347 1HD2 LEU 40 1HD2 LEU 40 -25.392 -13.322 4.297 348 2HD2 LEU 40 2HD2 LEU 40 -26.534 -13.019 2.965 349 3HD2 LEU 40 3HD2 LEU 40 -25.150 -14.111 2.720 350 H LYS 41 H LYS 41 -26.452 -11.145 -1.850 351 HA LYS 41 HA LYS 41 -28.017 -8.898 -2.025 352 1HB LYS 41 1HB LYS 41 -28.659 -9.715 -4.061 353 2HB LYS 41 2HB LYS 41 -27.241 -10.704 -3.780 354 1HG LYS 41 1HG LYS 41 -28.634 -12.558 -2.947 355 2HG LYS 41 2HG LYS 41 -30.076 -11.566 -3.040 356 1HD LYS 41 1HD LYS 41 -30.363 -12.375 -5.143 357 2HD LYS 41 2HD LYS 41 -29.017 -11.361 -5.625 358 1HE LYS 41 1HE LYS 41 -27.865 -13.691 -4.428 359 2HE LYS 41 2HE LYS 41 -29.147 -14.266 -5.475 360 1HZ LYS 41 1HZ LYS 41 -28.068 -13.558 -7.282 361 2HZ LYS 41 2HZ LYS 41 -27.485 -12.201 -6.585 362 3HZ LYS 41 3HZ LYS 41 -26.741 -13.633 -6.334 363 H ALA 42 H ALA 42 -30.578 -9.164 -2.488 364 HA ALA 42 HA ALA 42 -31.709 -9.539 0.046 365 1HB ALA 42 1HB ALA 42 -33.795 -9.617 -1.804 366 2HB ALA 42 2HB ALA 42 -33.100 -8.154 -1.065 367 3HB ALA 42 3HB ALA 42 -32.516 -8.714 -2.650 368 H GLY 43 H GLY 43 -32.878 -11.231 0.966 369 1HA GLY 43 1HA GLY 43 -33.154 -13.679 -0.658 370 2HA GLY 43 2HA GLY 43 -32.360 -13.730 0.903 371 H GLU 44 H GLU 44 -33.590 -13.970 2.746 372 HA GLU 44 HA GLU 44 -35.335 -14.311 3.993 373 1HB GLU 44 1HB GLU 44 -36.028 -11.830 2.507 374 2HB GLU 44 2HB GLU 44 -37.398 -12.637 3.244 375 1HG GLU 44 1HG GLU 44 -35.329 -12.710 5.202 376 2HG GLU 44 2HG GLU 44 -35.272 -11.097 4.521 377 HE2 GLU 44 HE2 GLU 44 -36.199 -11.473 7.099 378 H ASP 45 H ASP 45 -35.660 -16.475 3.156 379 HA ASP 45 HA ASP 45 -36.932 -17.186 0.918 380 1HB ASP 45 1HB ASP 45 -36.172 -18.424 3.332 381 2HB ASP 45 2HB ASP 45 -37.888 -18.761 3.223 382 HD2 ASP 45 HD2 ASP 45 -37.760 -21.136 1.124 Start of MODEL 8 1 H MET 1 H MET 1 0.283 -16.032 -30.011 2 HA MET 1 HA MET 1 -0.184 -15.467 -27.249 3 1HB MET 1 1HB MET 1 0.172 -17.786 -28.468 4 2HB MET 1 2HB MET 1 1.881 -17.400 -28.403 5 1HG MET 1 1HG MET 1 2.017 -17.841 -26.160 6 2HG MET 1 2HG MET 1 0.537 -16.971 -25.805 7 1HE MET 1 1HE MET 1 1.313 -20.954 -25.155 8 2HE MET 1 2HE MET 1 1.787 -19.320 -24.634 9 3HE MET 1 3HE MET 1 0.254 -20.025 -24.067 10 H PHE 2 H PHE 2 0.744 -13.388 -26.872 11 HA PHE 2 HA PHE 2 3.670 -13.357 -27.123 12 1HB PHE 2 1HB PHE 2 2.200 -11.763 -28.572 13 2HB PHE 2 2HB PHE 2 1.676 -11.017 -27.076 14 HD1 PHE 2 HD1 PHE 2 2.787 -9.121 -26.389 15 HD2 PHE 2 HD2 PHE 2 4.866 -11.928 -28.798 16 HE1 PHE 2 HE1 PHE 2 4.776 -7.592 -26.453 17 HE2 PHE 2 HE2 PHE 2 6.856 -10.399 -28.862 18 HZ PHE 2 HZ PHE 2 6.787 -8.249 -27.689 19 H ILE 3 H ILE 3 4.879 -12.661 -25.335 20 HA ILE 3 HA ILE 3 3.846 -11.283 -23.166 21 HB ILE 3 HB ILE 3 3.047 -14.018 -23.199 22 1HG1 ILE 3 1HG1 ILE 3 1.558 -12.332 -22.471 23 2HG1 ILE 3 2HG1 ILE 3 1.918 -13.305 -21.059 24 1HG2 ILE 3 1HG2 ILE 3 3.901 -14.854 -21.119 25 2HG2 ILE 3 2HG2 ILE 3 5.277 -14.431 -22.165 26 3HG2 ILE 3 3HG2 ILE 3 4.810 -13.351 -20.829 27 1HD1 ILE 3 1HD1 ILE 3 2.757 -10.490 -21.695 28 2HD1 ILE 3 2HD1 ILE 3 2.235 -11.197 -20.147 29 3HD1 ILE 3 3HD1 ILE 3 3.884 -11.492 -20.749 30 H TRP 4 H TRP 4 5.497 -10.834 -21.614 31 HA TRP 4 HA TRP 4 8.130 -11.749 -22.528 32 1HB TRP 4 1HB TRP 4 9.033 -9.741 -21.759 33 2HB TRP 4 2HB TRP 4 7.556 -9.296 -22.591 34 HD1 TRP 4 HD1 TRP 4 5.808 -7.896 -21.183 35 HE1 TRP 4 HE1 TRP 4 5.572 -7.010 -18.709 36 HE3 TRP 4 HE3 TRP 4 9.698 -10.572 -19.297 37 HZ2 TRP 4 HZ2 TRP 4 7.006 -7.516 -16.294 38 HZ3 TRP 4 HZ3 TRP 4 10.214 -10.318 -16.871 39 HH2 TRP 4 HH2 TRP 4 8.941 -8.854 -15.384 40 H THR 5 H THR 5 5.769 -11.645 -19.888 41 HA THR 5 HA THR 5 7.701 -12.585 -17.939 42 HB THR 5 HB THR 5 5.875 -10.917 -17.406 43 HG1 THR 5 HG1 THR 5 6.757 -12.406 -15.786 44 1HG2 THR 5 1HG2 THR 5 4.221 -12.900 -18.714 45 2HG2 THR 5 2HG2 THR 5 3.758 -12.833 -16.996 46 3HG2 THR 5 3HG2 THR 5 3.712 -11.356 -17.989 47 H SER 6 H SER 6 5.218 -14.194 -16.835 48 HA SER 6 HA SER 6 4.799 -16.297 -18.552 49 1HB SER 6 1HB SER 6 6.280 -18.047 -17.632 50 2HB SER 6 2HB SER 6 7.216 -16.752 -18.353 51 HG SER 6 HG SER 6 7.362 -15.843 -16.099 52 H GLY 7 H GLY 7 2.784 -15.532 -17.389 53 1HA GLY 7 1HA GLY 7 1.115 -16.067 -15.967 54 2HA GLY 7 2HA GLY 7 2.121 -17.326 -15.277 55 H ARG 8 H ARG 8 4.141 -16.358 -13.961 56 HA ARG 8 HA ARG 8 3.026 -14.209 -12.341 57 1HB ARG 8 1HB ARG 8 4.308 -16.818 -11.624 58 2HB ARG 8 2HB ARG 8 4.814 -15.453 -10.650 59 1HG ARG 8 1HG ARG 8 1.983 -15.211 -10.899 60 2HG ARG 8 2HG ARG 8 2.286 -16.909 -10.591 61 1HD ARG 8 1HD ARG 8 3.465 -16.436 -8.536 62 2HD ARG 8 2HD ARG 8 3.607 -14.732 -8.918 63 HE ARG 8 HE ARG 8 0.824 -15.563 -8.823 64 1HH1 ARG 8 2HH2 ARG 8 3.564 -14.659 -6.808 65 2HH1 ARG 8 1HH2 ARG 8 2.579 -14.123 -5.488 66 1HH2 ARG 8 2HH1 ARG 8 -0.475 -14.856 -7.081 67 2HH2 ARG 8 1HH1 ARG 8 0.266 -14.236 -5.644 68 H THR 9 H THR 9 4.574 -12.637 -11.465 69 HA THR 9 HA THR 9 6.850 -12.284 -13.219 70 HB THR 9 HB THR 9 6.071 -10.496 -10.889 71 HG1 THR 9 HG1 THR 9 4.115 -10.284 -11.899 72 1HG2 THR 9 1HG2 THR 9 6.303 -9.026 -13.259 73 2HG2 THR 9 2HG2 THR 9 7.583 -9.197 -12.034 74 3HG2 THR 9 3HG2 THR 9 7.554 -10.279 -13.447 75 H SER 10 H SER 10 8.491 -10.841 -11.294 76 HA SER 10 HA SER 10 9.830 -13.153 -10.281 77 1HB SER 10 1HB SER 10 10.501 -10.191 -10.395 78 2HB SER 10 2HB SER 10 11.515 -11.320 -9.519 79 HG SER 10 HG SER 10 12.313 -12.075 -11.364 80 H SER 11 H SER 11 10.743 -13.093 -7.959 81 HA SER 11 HA SER 11 8.543 -12.494 -6.230 82 1HB SER 11 1HB SER 11 10.701 -14.375 -6.279 83 2HB SER 11 2HB SER 11 10.900 -13.424 -4.820 84 HG SER 11 HG SER 11 9.524 -15.095 -4.250 85 H SER 12 H SER 12 11.118 -10.746 -7.484 86 HA SER 12 HA SER 12 11.790 -9.407 -5.034 87 1HB SER 12 1HB SER 12 12.782 -9.373 -7.872 88 2HB SER 12 2HB SER 12 13.056 -7.934 -6.911 89 HG SER 12 HG SER 12 14.831 -9.426 -6.725 90 H TYR 13 H TYR 13 9.031 -9.220 -5.589 91 HA TYR 13 HA TYR 13 8.778 -6.445 -6.538 92 1HB TYR 13 1HB TYR 13 6.578 -7.160 -7.323 93 2HB TYR 13 2HB TYR 13 7.663 -8.456 -7.784 94 HD1 TYR 13 HD1 TYR 13 4.733 -7.563 -5.889 95 HD2 TYR 13 HD2 TYR 13 7.785 -10.533 -6.299 96 HE1 TYR 13 HE1 TYR 13 3.290 -9.230 -4.625 97 HE2 TYR 13 HE2 TYR 13 6.331 -12.191 -5.033 98 HH TYR 13 HH TYR 13 3.343 -12.102 -4.734 99 H ARG 14 H ARG 14 7.589 -8.920 -4.177 100 HA ARG 14 HA ARG 14 6.482 -6.741 -2.632 101 1HB ARG 14 1HB ARG 14 5.841 -9.573 -3.017 102 2HB ARG 14 2HB ARG 14 6.012 -9.224 -1.308 103 1HG ARG 14 1HG ARG 14 4.374 -7.376 -3.073 104 2HG ARG 14 2HG ARG 14 3.671 -8.869 -2.482 105 1HD ARG 14 1HD ARG 14 3.239 -7.866 -0.492 106 2HD ARG 14 2HD ARG 14 4.959 -7.654 -0.232 107 HE ARG 14 HE ARG 14 4.300 -5.589 -1.976 108 1HH1 ARG 14 2HH2 ARG 14 3.124 -6.637 1.171 109 2HH1 ARG 14 1HH2 ARG 14 2.661 -5.045 1.671 110 1HH2 ARG 14 2HH1 ARG 14 3.689 -3.488 -1.317 111 2HH2 ARG 14 1HH1 ARG 14 2.984 -3.241 0.246 112 H HIS 15 H HIS 15 9.106 -9.107 -2.740 113 HA HIS 15 HA HIS 15 9.784 -9.373 -0.121 114 1HB HIS 15 1HB HIS 15 11.184 -9.500 -2.716 115 2HB HIS 15 2HB HIS 15 12.232 -9.196 -1.345 116 HD1 HIS 15 HD1 HIS 15 12.914 -11.768 -2.414 117 HD2 HIS 15 HD2 HIS 15 9.554 -11.389 0.068 118 HE1 HIS 15 HE1 HIS 15 12.420 -14.105 -1.518 119 H ASP 16 H ASP 16 10.496 -6.637 -2.360 120 HA ASP 16 HA ASP 16 12.259 -5.207 -1.046 121 1HB ASP 16 1HB ASP 16 10.233 -3.298 -1.599 122 2HB ASP 16 2HB ASP 16 11.570 -3.749 -2.638 123 HD2 ASP 16 HD2 ASP 16 7.896 -4.400 -3.555 124 H GLU 17 H GLU 17 12.390 -3.970 0.892 125 HA GLU 17 HA GLU 17 10.251 -4.422 2.746 126 1HB GLU 17 1HB GLU 17 13.118 -3.635 2.880 127 2HB GLU 17 2HB GLU 17 12.103 -2.897 4.103 128 1HG GLU 17 1HG GLU 17 12.322 -4.836 5.272 129 2HG GLU 17 2HG GLU 17 11.216 -5.545 4.113 130 HE2 GLU 17 HE2 GLU 17 12.111 -7.447 3.819 131 H LYS 18 H LYS 18 12.267 -1.441 2.427 132 HA LYS 18 HA LYS 18 9.907 0.149 2.854 133 1HB LYS 18 1HB LYS 18 12.865 0.624 2.803 134 2HB LYS 18 2HB LYS 18 11.794 1.989 2.561 135 1HG LYS 18 1HG LYS 18 10.566 0.771 4.704 136 2HG LYS 18 2HG LYS 18 12.235 0.334 5.007 137 1HD LYS 18 1HD LYS 18 12.817 2.470 5.572 138 2HD LYS 18 2HD LYS 18 11.961 3.160 4.207 139 1HE LYS 18 1HE LYS 18 9.802 2.954 5.422 140 2HE LYS 18 2HE LYS 18 10.613 2.184 6.771 141 1HZ LYS 18 1HZ LYS 18 11.152 4.907 5.806 142 2HZ LYS 18 2HZ LYS 18 10.305 4.523 7.148 143 3HZ LYS 18 3HZ LYS 18 11.901 4.189 7.067 144 H ARG 19 H ARG 19 10.884 -1.499 0.238 145 HA ARG 19 HA ARG 19 10.536 0.722 -1.587 146 1HB ARG 19 1HB ARG 19 11.759 -2.017 -1.760 147 2HB ARG 19 2HB ARG 19 10.996 -1.425 -3.222 148 1HG ARG 19 1HG ARG 19 12.515 0.762 -2.177 149 2HG ARG 19 2HG ARG 19 13.546 -0.649 -2.056 150 1HD ARG 19 1HD ARG 19 13.944 0.259 -4.247 151 2HD ARG 19 2HD ARG 19 12.960 -1.169 -4.501 152 HE ARG 19 HE ARG 19 11.164 0.192 -5.187 153 1HH1 ARG 19 2HH2 ARG 19 13.678 2.173 -3.724 154 2HH1 ARG 19 1HH2 ARG 19 12.965 3.671 -4.221 155 1HH2 ARG 19 2HH1 ARG 19 10.223 2.169 -5.843 156 2HH2 ARG 19 1HH1 ARG 19 10.987 3.669 -5.435 157 H ASN 20 H ASN 20 8.777 -1.732 0.008 158 HA ASN 20 HA ASN 20 6.787 -1.715 -2.124 159 1HB ASN 20 1HB ASN 20 6.123 -3.933 -1.494 160 2HB ASN 20 2HB ASN 20 7.874 -3.980 -1.458 161 1HD2 ASN 20 1HD2 ASN 20 6.362 -5.806 -0.097 162 2HD2 ASN 20 2HD2 ASN 20 6.527 -5.595 1.614 163 H ILE 21 H ILE 21 7.127 0.357 -0.081 164 HA ILE 21 HA ILE 21 4.896 -0.226 1.733 165 HB ILE 21 HB ILE 21 6.021 2.051 2.687 166 1HG1 ILE 21 1HG1 ILE 21 8.501 1.591 2.733 167 2HG1 ILE 21 2HG1 ILE 21 8.257 0.425 1.449 168 1HG2 ILE 21 1HG2 ILE 21 5.420 0.225 4.086 169 2HG2 ILE 21 2HG2 ILE 21 6.630 -0.841 3.333 170 3HG2 ILE 21 3HG2 ILE 21 7.155 0.529 4.341 171 1HD1 ILE 21 1HD1 ILE 21 8.051 2.048 -0.133 172 2HD1 ILE 21 2HD1 ILE 21 6.935 2.999 0.877 173 3HD1 ILE 21 3HD1 ILE 21 8.694 3.158 1.101 174 H TYR 22 H TYR 22 6.224 2.018 -0.724 175 HA TYR 22 HA TYR 22 4.463 4.088 -0.547 176 1HB TYR 22 1HB TYR 22 5.223 4.480 -2.803 177 2HB TYR 22 2HB TYR 22 6.490 3.463 -2.146 178 HD1 TYR 22 HD1 TYR 22 6.857 1.225 -2.970 179 HD2 TYR 22 HD2 TYR 22 3.535 3.529 -4.369 180 HE1 TYR 22 HE1 TYR 22 6.484 -0.443 -4.852 181 HE2 TYR 22 HE2 TYR 22 3.172 1.853 -6.246 182 HH TYR 22 HH TYR 22 5.468 -0.739 -6.816 183 H GLN 23 H GLN 23 3.990 0.919 -2.232 184 HA GLN 23 HA GLN 23 1.751 1.340 -3.573 185 1HB GLN 23 1HB GLN 23 3.133 -0.875 -2.858 186 2HB GLN 23 2HB GLN 23 1.731 -1.106 -1.833 187 1HG GLN 23 1HG GLN 23 0.457 -1.744 -3.600 188 2HG GLN 23 2HG GLN 23 0.852 -0.282 -4.482 189 1HE2 GLN 23 1HE2 GLN 23 0.633 -3.213 -5.173 190 2HE2 GLN 23 2HE2 GLN 23 2.084 -3.598 -6.038 191 H LYS 24 H LYS 24 2.103 1.398 -0.055 192 HA LYS 24 HA LYS 24 -0.734 1.257 0.405 193 1HB LYS 24 1HB LYS 24 1.591 0.794 1.916 194 2HB LYS 24 2HB LYS 24 0.852 2.205 2.645 195 1HG LYS 24 1HG LYS 24 -0.183 0.361 3.745 196 2HG LYS 24 2HG LYS 24 -1.381 0.905 2.588 197 1HD LYS 24 1HD LYS 24 -0.748 -0.872 1.010 198 2HD LYS 24 2HD LYS 24 0.595 -1.354 2.027 199 1HE LYS 24 1HE LYS 24 -0.979 -2.002 3.841 200 2HE LYS 24 2HE LYS 24 -2.339 -1.459 2.878 201 1HZ LYS 24 1HZ LYS 24 -1.938 -3.140 1.318 202 2HZ LYS 24 2HZ LYS 24 -0.473 -3.515 1.934 203 3HZ LYS 24 3HZ LYS 24 -1.828 -3.873 2.773 204 H ILE 25 H ILE 25 1.759 3.761 1.263 205 HA ILE 25 HA ILE 25 0.040 5.808 1.731 206 HB ILE 25 HB ILE 25 2.708 6.103 0.357 207 1HG1 ILE 25 1HG1 ILE 25 3.070 6.283 3.136 208 2HG1 ILE 25 2HG1 ILE 25 2.080 4.855 2.904 209 1HG2 ILE 25 1HG2 ILE 25 0.820 7.964 1.409 210 2HG2 ILE 25 2HG2 ILE 25 2.264 7.979 2.450 211 3HG2 ILE 25 3HG2 ILE 25 2.424 8.273 0.702 212 1HD1 ILE 25 1HD1 ILE 25 3.686 3.935 1.286 213 2HD1 ILE 25 2HD1 ILE 25 4.656 5.425 1.367 214 3HD1 ILE 25 3HD1 ILE 25 4.537 4.362 2.790 215 H ARG 26 H ARG 26 1.470 4.842 -1.455 216 HA ARG 26 HA ARG 26 0.365 6.856 -2.917 217 1HB ARG 26 1HB ARG 26 1.454 4.142 -3.439 218 2HB ARG 26 2HB ARG 26 0.304 4.664 -4.654 219 1HG ARG 26 1HG ARG 26 1.816 6.959 -4.340 220 2HG ARG 26 2HG ARG 26 3.021 5.722 -4.038 221 1HD ARG 26 1HD ARG 26 1.684 4.709 -6.271 222 2HD ARG 26 2HD ARG 26 1.651 6.435 -6.571 223 HE ARG 26 HE ARG 26 4.278 5.460 -5.707 224 1HH1 ARG 26 2HH2 ARG 26 2.163 5.996 -8.468 225 2HH1 ARG 26 1HH2 ARG 26 3.462 6.066 -9.611 226 1HH2 ARG 26 2HH1 ARG 26 5.992 5.553 -7.216 227 2HH2 ARG 26 1HH1 ARG 26 5.654 5.812 -8.895 228 H ASP 27 H ASP 27 -1.100 3.947 -1.528 229 HA ASP 27 HA ASP 27 -3.345 3.929 -3.224 230 1HB ASP 27 1HB ASP 27 -2.257 2.206 -1.361 231 2HB ASP 27 2HB ASP 27 -3.617 2.841 -0.457 232 HD2 ASP 27 HD2 ASP 27 -2.871 1.287 -3.475 233 H HIS 28 H HIS 28 -2.315 5.676 -0.337 234 HA HIS 28 HA HIS 28 -4.860 6.303 0.675 235 1HB HIS 28 1HB HIS 28 -2.203 6.660 1.442 236 2HB HIS 28 2HB HIS 28 -2.787 8.293 1.195 237 HD1 HIS 28 HD1 HIS 28 -2.874 8.911 3.688 238 HD2 HIS 28 HD2 HIS 28 -5.157 5.528 2.719 239 HE1 HIS 28 HE1 HIS 28 -4.288 8.389 5.747 240 H ASP 29 H ASP 29 -2.816 7.620 -1.913 241 HA ASP 29 HA ASP 29 -3.987 10.108 -2.096 242 1HB ASP 29 1HB ASP 29 -1.955 9.627 -3.314 243 2HB ASP 29 2HB ASP 29 -2.686 8.265 -4.140 244 HD2 ASP 29 HD2 ASP 29 -1.785 11.369 -5.137 245 H LEU 30 H LEU 30 -4.426 7.381 -4.476 246 HA LEU 30 HA LEU 30 -6.814 8.366 -5.505 247 1HB LEU 30 1HB LEU 30 -5.894 5.492 -5.494 248 2HB LEU 30 2HB LEU 30 -6.992 6.255 -6.627 249 HG LEU 30 HG LEU 30 -4.253 7.415 -6.410 250 1HD1 LEU 30 1HD1 LEU 30 -3.221 5.752 -7.789 251 2HD1 LEU 30 2HD1 LEU 30 -3.907 4.941 -6.361 252 3HD1 LEU 30 3HD1 LEU 30 -4.744 4.842 -7.929 253 1HD2 LEU 30 1HD2 LEU 30 -4.558 7.653 -8.856 254 2HD2 LEU 30 2HD2 LEU 30 -6.153 6.877 -8.708 255 3HD2 LEU 30 3HD2 LEU 30 -5.845 8.438 -7.910 256 H LEU 31 H LEU 31 -6.104 6.815 -2.490 257 HA LEU 31 HA LEU 31 -7.386 5.755 -0.985 258 1HB LEU 31 1HB LEU 31 -8.382 8.426 -1.571 259 2HB LEU 31 2HB LEU 31 -9.619 7.406 -0.863 260 HG LEU 31 HG LEU 31 -7.000 7.296 0.505 261 1HD1 LEU 31 1HD1 LEU 31 -8.620 9.778 0.985 262 2HD1 LEU 31 2HD1 LEU 31 -6.924 9.427 1.395 263 3HD1 LEU 31 3HD1 LEU 31 -7.384 9.746 -0.295 264 1HD2 LEU 31 1HD2 LEU 31 -8.326 7.203 2.470 265 2HD2 LEU 31 2HD2 LEU 31 -9.760 7.830 1.621 266 3HD2 LEU 31 3HD2 LEU 31 -9.147 6.200 1.250 267 H ASP 32 H ASP 32 -7.771 3.797 -2.213 268 HA ASP 32 HA ASP 32 -10.425 3.747 -3.408 269 1HB ASP 32 1HB ASP 32 -7.856 2.601 -4.141 270 2HB ASP 32 2HB ASP 32 -9.003 1.301 -3.887 271 HD2 ASP 32 HD2 ASP 32 -9.682 1.391 -6.966 272 H LYS 33 H LYS 33 -8.385 2.706 -0.767 273 HA LYS 33 HA LYS 33 -9.208 0.265 -0.035 274 1HB LYS 33 1HB LYS 33 -8.263 2.671 1.350 275 2HB LYS 33 2HB LYS 33 -9.246 1.641 2.372 276 1HG LYS 33 1HG LYS 33 -7.091 0.393 0.646 277 2HG LYS 33 2HG LYS 33 -6.638 1.193 2.137 278 1HD LYS 33 1HD LYS 33 -8.791 -0.351 2.969 279 2HD LYS 33 2HD LYS 33 -8.084 -1.373 1.733 280 1HE LYS 33 1HE LYS 33 -6.353 -1.933 3.092 281 2HE LYS 33 2HE LYS 33 -5.956 -0.248 3.368 282 1HZ LYS 33 1HZ LYS 33 -6.974 -0.301 5.315 283 2HZ LYS 33 2HZ LYS 33 -8.307 -1.050 4.742 284 3HZ LYS 33 3HZ LYS 33 -7.004 -1.929 5.187 285 H ARG 34 H ARG 34 -11.154 3.230 -0.111 286 HA ARG 34 HA ARG 34 -13.332 1.698 1.055 287 1HB ARG 34 1HB ARG 34 -13.572 4.667 0.599 288 2HB ARG 34 2HB ARG 34 -14.222 3.695 1.904 289 1HG ARG 34 1HG ARG 34 -11.941 3.436 2.872 290 2HG ARG 34 2HG ARG 34 -11.260 4.357 1.546 291 1HD ARG 34 1HD ARG 34 -11.561 5.812 3.520 292 2HD ARG 34 2HD ARG 34 -12.602 6.349 2.217 293 HE ARG 34 HE ARG 34 -14.489 5.719 3.472 294 1HH1 ARG 34 2HH2 ARG 34 -11.587 4.366 4.932 295 2HH1 ARG 34 1HH2 ARG 34 -12.399 3.841 6.368 296 1HH2 ARG 34 2HH1 ARG 34 -15.562 5.026 5.367 297 2HH2 ARG 34 1HH1 ARG 34 -14.676 4.218 6.617 298 H LYS 35 H LYS 35 -12.094 3.325 -1.810 299 HA LYS 35 HA LYS 35 -12.953 3.775 -3.808 300 1HB LYS 35 1HB LYS 35 -12.702 1.439 -4.108 301 2HB LYS 35 2HB LYS 35 -14.138 1.071 -3.173 302 1HG LYS 35 1HG LYS 35 -15.410 1.179 -5.044 303 2HG LYS 35 2HG LYS 35 -14.939 2.849 -5.288 304 1HD LYS 35 1HD LYS 35 -12.725 1.858 -6.295 305 2HD LYS 35 2HD LYS 35 -13.606 0.346 -6.381 306 1HE LYS 35 1HE LYS 35 -14.955 1.068 -8.103 307 2HE LYS 35 2HE LYS 35 -15.108 2.686 -7.446 308 1HZ LYS 35 1HZ LYS 35 -12.628 2.813 -8.125 309 2HZ LYS 35 2HZ LYS 35 -13.025 1.609 -9.154 310 3HZ LYS 35 3HZ LYS 35 -13.797 3.045 -9.241 311 H THR 36 H THR 36 -15.987 2.092 -3.210 312 HA THR 36 HA THR 36 -17.634 4.063 -4.036 313 HB THR 36 HB THR 36 -18.381 2.285 -1.685 314 HG1 THR 36 HG1 THR 36 -17.902 1.602 -4.500 315 1HG2 THR 36 1HG2 THR 36 -20.442 2.015 -2.865 316 2HG2 THR 36 2HG2 THR 36 -20.057 3.737 -3.100 317 3HG2 THR 36 3HG2 THR 36 -19.730 2.567 -4.401 318 H VAL 37 H VAL 37 -19.063 5.603 -2.998 319 HA VAL 37 HA VAL 37 -17.625 6.979 -0.873 320 HB VAL 37 HB VAL 37 -18.644 7.886 -3.172 321 1HG1 VAL 37 1HG1 VAL 37 -20.963 7.294 -2.588 322 2HG1 VAL 37 2HG1 VAL 37 -20.872 8.352 -1.160 323 3HG1 VAL 37 3HG1 VAL 37 -20.764 9.051 -2.794 324 1HG2 VAL 37 1HG2 VAL 37 -17.900 9.059 -0.599 325 2HG2 VAL 37 2HG2 VAL 37 -17.496 9.576 -2.254 326 3HG2 VAL 37 3HG2 VAL 37 -19.033 10.083 -1.514 327 H THR 38 H THR 38 -20.329 4.865 -1.407 328 HA THR 38 HA THR 38 -22.257 5.583 0.307 329 HB THR 38 HB THR 38 -21.202 2.763 0.517 330 HG1 THR 38 HG1 THR 38 -22.050 2.660 -1.815 331 1HG2 THR 38 1HG2 THR 38 -23.530 3.257 1.239 332 2HG2 THR 38 2HG2 THR 38 -23.865 4.019 -0.334 333 3HG2 THR 38 3HG2 THR 38 -23.550 2.270 -0.241 334 H ALA 39 H ALA 39 -22.773 5.409 2.522 335 HA ALA 39 HA ALA 39 -20.892 4.519 4.419 336 1HB ALA 39 1HB ALA 39 -20.680 7.007 5.355 337 2HB ALA 39 2HB ALA 39 -19.526 6.367 4.161 338 3HB ALA 39 3HB ALA 39 -20.862 7.418 3.633 339 H LEU 40 H LEU 40 -21.735 4.814 6.643 340 HA LEU 40 HA LEU 40 -24.518 5.721 6.681 341 1HB LEU 40 1HB LEU 40 -23.485 3.070 7.692 342 2HB LEU 40 2HB LEU 40 -25.050 3.739 8.108 343 HG LEU 40 HG LEU 40 -24.591 3.642 5.213 344 1HD1 LEU 40 1HD1 LEU 40 -24.544 1.324 4.862 345 2HD1 LEU 40 2HD1 LEU 40 -23.296 1.622 6.096 346 3HD1 LEU 40 3HD1 LEU 40 -24.880 0.965 6.573 347 1HD2 LEU 40 1HD2 LEU 40 -26.745 3.615 7.043 348 2HD2 LEU 40 2HD2 LEU 40 -26.807 3.632 5.264 349 3HD2 LEU 40 3HD2 LEU 40 -26.815 2.083 6.140 350 H LYS 41 H LYS 41 -23.125 7.617 7.512 351 HA LYS 41 HA LYS 41 -21.685 7.497 9.841 352 1HB LYS 41 1HB LYS 41 -21.706 9.782 9.771 353 2HB LYS 41 2HB LYS 41 -22.185 9.429 8.123 354 1HG LYS 41 1HG LYS 41 -24.563 9.740 8.692 355 2HG LYS 41 2HG LYS 41 -24.171 9.930 10.390 356 1HD LYS 41 1HD LYS 41 -24.221 12.169 9.861 357 2HD LYS 41 2HD LYS 41 -22.561 11.874 9.382 358 1HE LYS 41 1HE LYS 41 -24.423 11.176 7.218 359 2HE LYS 41 2HE LYS 41 -24.651 12.835 7.734 360 1HZ LYS 41 1HZ LYS 41 -22.457 11.677 6.361 361 2HZ LYS 41 2HZ LYS 41 -22.894 13.246 6.481 362 3HZ LYS 41 3HZ LYS 41 -21.974 12.562 7.645 363 H ALA 42 H ALA 42 -22.547 8.778 11.950 364 HA ALA 42 HA ALA 42 -24.212 7.012 13.259 365 1HB ALA 42 1HB ALA 42 -24.433 9.079 14.862 366 2HB ALA 42 2HB ALA 42 -22.836 8.335 14.608 367 3HB ALA 42 3HB ALA 42 -23.265 9.835 13.752 368 H GLY 43 H GLY 43 -26.285 8.128 14.532 369 1HA GLY 43 1HA GLY 43 -27.979 9.520 12.598 370 2HA GLY 43 2HA GLY 43 -28.472 7.910 13.083 371 H GLU 44 H GLU 44 -27.038 10.787 14.798 372 HA GLU 44 HA GLU 44 -29.358 11.337 16.206 373 1HB GLU 44 1HB GLU 44 -28.108 9.053 17.230 374 2HB GLU 44 2HB GLU 44 -27.522 10.326 18.281 375 1HG GLU 44 1HG GLU 44 -30.205 10.986 18.083 376 2HG GLU 44 2HG GLU 44 -30.277 9.239 17.981 377 HE2 GLU 44 HE2 GLU 44 -30.924 10.382 20.951 378 H ASP 45 H ASP 45 -28.976 13.070 17.884 379 HA ASP 45 HA ASP 45 -26.766 14.658 17.006 380 1HB ASP 45 1HB ASP 45 -29.359 15.170 17.946 381 2HB ASP 45 2HB ASP 45 -28.353 15.658 19.295 382 HD2 ASP 45 HD2 ASP 45 -27.640 18.019 18.930 Start of MODEL 9 1 H MET 1 H MET 1 -7.429 -30.956 -10.707 2 HA MET 1 HA MET 1 -5.320 -31.894 -12.208 3 1HB MET 1 1HB MET 1 -8.104 -32.765 -13.150 4 2HB MET 1 2HB MET 1 -6.729 -32.702 -14.235 5 1HG MET 1 1HG MET 1 -5.899 -34.671 -13.443 6 2HG MET 1 2HG MET 1 -6.024 -34.136 -11.779 7 1HE MET 1 1HE MET 1 -8.805 -34.238 -14.472 8 2HE MET 1 2HE MET 1 -7.967 -35.771 -14.813 9 3HE MET 1 3HE MET 1 -9.620 -35.787 -14.153 10 H PHE 2 H PHE 2 -5.598 -29.418 -11.496 11 HA PHE 2 HA PHE 2 -5.896 -27.975 -13.867 12 1HB PHE 2 1HB PHE 2 -8.344 -28.476 -13.206 13 2HB PHE 2 2HB PHE 2 -8.066 -27.592 -11.719 14 HD1 PHE 2 HD1 PHE 2 -7.733 -27.113 -15.409 15 HD2 PHE 2 HD2 PHE 2 -8.656 -25.363 -11.654 16 HE1 PHE 2 HE1 PHE 2 -8.366 -24.974 -16.560 17 HE2 PHE 2 HE2 PHE 2 -9.288 -23.225 -12.806 18 HZ PHE 2 HZ PHE 2 -9.136 -23.056 -15.245 19 H ILE 3 H ILE 3 -5.002 -25.888 -13.660 20 HA ILE 3 HA ILE 3 -3.851 -25.386 -11.027 21 HB ILE 3 HB ILE 3 -2.393 -25.582 -13.017 22 1HG1 ILE 3 1HG1 ILE 3 -1.148 -23.399 -12.570 23 2HG1 ILE 3 2HG1 ILE 3 -2.454 -22.977 -11.481 24 1HG2 ILE 3 1HG2 ILE 3 -2.837 -22.944 -14.094 25 2HG2 ILE 3 2HG2 ILE 3 -2.793 -24.518 -14.922 26 3HG2 ILE 3 3HG2 ILE 3 -4.318 -23.923 -14.222 27 1HD1 ILE 3 1HD1 ILE 3 -0.831 -25.556 -11.281 28 2HD1 ILE 3 2HD1 ILE 3 -0.520 -24.090 -10.321 29 3HD1 ILE 3 3HD1 ILE 3 -2.049 -24.977 -10.120 30 H TRP 4 H TRP 4 -4.574 -23.782 -9.721 31 HA TRP 4 HA TRP 4 -6.612 -22.013 -10.862 32 1HB TRP 4 1HB TRP 4 -7.439 -21.729 -8.658 33 2HB TRP 4 2HB TRP 4 -7.237 -23.445 -8.946 34 HD1 TRP 4 HD1 TRP 4 -5.573 -24.745 -7.308 35 HE1 TRP 4 HE1 TRP 4 -4.166 -24.161 -5.154 36 HE3 TRP 4 HE3 TRP 4 -6.106 -19.702 -7.688 37 HZ2 TRP 4 HZ2 TRP 4 -3.450 -21.710 -3.878 38 HZ3 TRP 4 HZ3 TRP 4 -5.022 -18.286 -5.946 39 HH2 TRP 4 HH2 TRP 4 -3.730 -19.213 -4.090 40 H THR 5 H THR 5 -3.352 -22.240 -9.550 41 HA THR 5 HA THR 5 -3.129 -19.477 -8.847 42 HB THR 5 HB THR 5 -0.784 -20.109 -8.448 43 HG1 THR 5 HG1 THR 5 0.015 -21.899 -9.568 44 1HG2 THR 5 1HG2 THR 5 -2.971 -21.590 -7.343 45 2HG2 THR 5 2HG2 THR 5 -1.716 -22.782 -7.757 46 3HG2 THR 5 3HG2 THR 5 -1.333 -21.428 -6.666 47 H SER 6 H SER 6 -0.331 -19.714 -10.366 48 HA SER 6 HA SER 6 -0.870 -19.557 -13.046 49 1HB SER 6 1HB SER 6 -2.032 -17.364 -11.825 50 2HB SER 6 2HB SER 6 -0.460 -16.721 -12.256 51 HG SER 6 HG SER 6 -2.451 -17.870 -14.003 52 H GLY 7 H GLY 7 1.150 -20.752 -11.736 53 1HA GLY 7 1HA GLY 7 3.372 -20.788 -11.268 54 2HA GLY 7 2HA GLY 7 3.471 -20.047 -12.853 55 H ARG 8 H ARG 8 3.162 -19.330 -9.332 56 HA ARG 8 HA ARG 8 3.539 -16.589 -9.627 57 1HB ARG 8 1HB ARG 8 3.713 -18.570 -7.350 58 2HB ARG 8 2HB ARG 8 4.367 -16.965 -7.086 59 1HG ARG 8 1HG ARG 8 2.115 -16.749 -6.389 60 2HG ARG 8 2HG ARG 8 2.097 -16.076 -8.007 61 1HD ARG 8 1HD ARG 8 0.666 -17.683 -8.754 62 2HD ARG 8 2HD ARG 8 1.667 -18.970 -8.113 63 HE ARG 8 HE ARG 8 -0.656 -17.746 -6.808 64 1HH1 ARG 8 2HH2 ARG 8 2.292 -19.601 -6.308 65 2HH1 ARG 8 1HH2 ARG 8 1.758 -20.288 -4.810 66 1HH2 ARG 8 2HH1 ARG 8 -1.362 -18.653 -4.832 67 2HH2 ARG 8 1HH1 ARG 8 -0.335 -19.745 -3.966 68 H THR 9 H THR 9 5.472 -15.292 -9.093 69 HA THR 9 HA THR 9 7.953 -16.784 -9.628 70 HB THR 9 HB THR 9 8.650 -14.308 -10.275 71 HG1 THR 9 HG1 THR 9 6.707 -13.332 -9.428 72 1HG2 THR 9 1HG2 THR 9 8.206 -14.831 -12.484 73 2HG2 THR 9 2HG2 THR 9 7.727 -16.409 -11.815 74 3HG2 THR 9 3HG2 THR 9 6.492 -15.172 -12.151 75 H SER 10 H SER 10 9.803 -14.861 -8.824 76 HA SER 10 HA SER 10 9.989 -15.475 -6.149 77 1HB SER 10 1HB SER 10 11.850 -13.818 -6.118 78 2HB SER 10 2HB SER 10 11.941 -14.890 -7.501 79 HG SER 10 HG SER 10 10.488 -12.887 -8.402 80 H SER 11 H SER 11 10.202 -13.752 -4.322 81 HA SER 11 HA SER 11 7.746 -12.558 -3.989 82 1HB SER 11 1HB SER 11 10.426 -12.168 -2.609 83 2HB SER 11 2HB SER 11 8.996 -11.298 -2.088 84 HG SER 11 HG SER 11 8.393 -13.045 -1.027 85 H SER 12 H SER 12 10.536 -10.413 -3.464 86 HA SER 12 HA SER 12 11.126 -8.495 -4.303 87 1HB SER 12 1HB SER 12 10.560 -9.845 -6.579 88 2HB SER 12 2HB SER 12 9.324 -8.610 -6.704 89 HG SER 12 HG SER 12 11.014 -7.600 -7.657 90 H TYR 13 H TYR 13 8.231 -9.278 -3.086 91 HA TYR 13 HA TYR 13 7.125 -6.572 -3.437 92 1HB TYR 13 1HB TYR 13 4.949 -7.671 -3.237 93 2HB TYR 13 2HB TYR 13 5.872 -8.679 -4.334 94 HD1 TYR 13 HD1 TYR 13 6.798 -10.855 -3.565 95 HD2 TYR 13 HD2 TYR 13 4.286 -8.470 -1.054 96 HE1 TYR 13 HE1 TYR 13 6.389 -12.861 -2.057 97 HE2 TYR 13 HE2 TYR 13 3.886 -10.483 0.446 98 HH TYR 13 HH TYR 13 4.152 -13.368 -0.305 99 H ARG 14 H ARG 14 7.558 -9.372 -1.180 100 HA ARG 14 HA ARG 14 6.978 -7.561 0.995 101 1HB ARG 14 1HB ARG 14 6.666 -10.425 0.523 102 2HB ARG 14 2HB ARG 14 7.596 -10.174 1.987 103 1HG ARG 14 1HG ARG 14 5.033 -8.616 1.490 104 2HG ARG 14 2HG ARG 14 4.981 -10.234 2.160 105 1HD ARG 14 1HD ARG 14 6.928 -8.361 3.457 106 2HD ARG 14 2HD ARG 14 5.234 -7.973 3.687 107 HE ARG 14 HE ARG 14 5.250 -10.649 4.252 108 1HH1 ARG 14 2HH2 ARG 14 7.317 -8.017 5.342 109 2HH1 ARG 14 1HH2 ARG 14 7.661 -8.752 6.873 110 1HH2 ARG 14 2HH1 ARG 14 5.704 -11.618 6.270 111 2HH2 ARG 14 1HH1 ARG 14 6.738 -10.814 7.404 112 H HIS 15 H HIS 15 9.592 -9.289 -0.630 113 HA HIS 15 HA HIS 15 11.442 -9.533 1.366 114 1HB HIS 15 1HB HIS 15 11.462 -9.331 -1.574 115 2HB HIS 15 2HB HIS 15 12.966 -8.846 -0.816 116 HD1 HIS 15 HD1 HIS 15 13.492 -11.212 -2.343 117 HD2 HIS 15 HD2 HIS 15 11.675 -11.551 1.423 118 HE1 HIS 15 HE1 HIS 15 13.876 -13.615 -1.577 119 H ASP 16 H ASP 16 10.197 -6.634 -0.215 120 HA ASP 16 HA ASP 16 12.354 -5.070 0.896 121 1HB ASP 16 1HB ASP 16 10.410 -3.352 -0.240 122 2HB ASP 16 2HB ASP 16 11.941 -3.823 -0.949 123 HD2 ASP 16 HD2 ASP 16 11.306 -5.698 -3.054 124 H GLU 17 H GLU 17 12.017 -3.620 2.662 125 HA GLU 17 HA GLU 17 9.576 -4.062 4.103 126 1HB GLU 17 1HB GLU 17 12.307 -3.044 4.709 127 2HB GLU 17 2HB GLU 17 11.023 -2.276 5.622 128 1HG GLU 17 1HG GLU 17 10.160 -4.655 6.155 129 2HG GLU 17 2HG GLU 17 11.667 -5.252 5.489 130 HE2 GLU 17 HE2 GLU 17 10.772 -4.328 8.806 131 H LYS 18 H LYS 18 11.442 -0.977 3.867 132 HA LYS 18 HA LYS 18 8.937 0.434 3.571 133 1HB LYS 18 1HB LYS 18 11.769 1.180 4.231 134 2HB LYS 18 2HB LYS 18 10.674 2.416 3.646 135 1HG LYS 18 1HG LYS 18 9.075 1.155 5.511 136 2HG LYS 18 2HG LYS 18 10.655 0.940 6.237 137 1HD LYS 18 1HD LYS 18 10.422 3.660 5.222 138 2HD LYS 18 2HD LYS 18 9.041 3.299 6.238 139 1HE LYS 18 1HE LYS 18 11.136 2.211 7.715 140 2HE LYS 18 2HE LYS 18 11.899 3.607 6.981 141 1HZ LYS 18 1HZ LYS 18 10.472 5.019 8.027 142 2HZ LYS 18 2HZ LYS 18 9.275 3.921 8.196 143 3HZ LYS 18 3HZ LYS 18 10.590 3.850 9.162 144 H ARG 19 H ARG 19 10.484 -1.344 1.441 145 HA ARG 19 HA ARG 19 10.622 0.721 -0.590 146 1HB ARG 19 1HB ARG 19 11.875 -1.993 -0.232 147 2HB ARG 19 2HB ARG 19 11.528 -1.506 -1.879 148 1HG ARG 19 1HG ARG 19 12.696 0.778 -0.630 149 2HG ARG 19 2HG ARG 19 13.657 -0.591 -0.107 150 1HD ARG 19 1HD ARG 19 13.433 -1.224 -2.748 151 2HD ARG 19 2HD ARG 19 13.274 0.516 -2.874 152 HE ARG 19 HE ARG 19 15.515 -0.377 -1.186 153 1HH1 ARG 19 2HH2 ARG 19 14.482 0.548 -4.420 154 2HH1 ARG 19 1HH2 ARG 19 16.080 0.946 -4.956 155 1HH2 ARG 19 2HH1 ARG 19 17.625 0.148 -1.892 156 2HH2 ARG 19 1HH1 ARG 19 17.880 0.717 -3.508 157 H ASN 20 H ASN 20 8.565 -1.682 0.710 158 HA ASN 20 HA ASN 20 7.238 -2.013 -1.863 159 1HB ASN 20 1HB ASN 20 6.495 -4.128 -1.151 160 2HB ASN 20 2HB ASN 20 8.032 -4.038 -0.312 161 1HD2 ASN 20 1HD2 ASN 20 8.089 -3.417 1.895 162 2HD2 ASN 20 2HD2 ASN 20 6.733 -3.670 2.942 163 H ILE 21 H ILE 21 7.154 0.298 0.168 164 HA ILE 21 HA ILE 21 4.346 0.076 0.988 165 HB ILE 21 HB ILE 21 5.138 2.195 2.342 166 1HG1 ILE 21 1HG1 ILE 21 7.459 1.976 3.121 167 2HG1 ILE 21 2HG1 ILE 21 7.732 0.664 1.992 168 1HG2 ILE 21 1HG2 ILE 21 5.298 -0.723 2.919 169 2HG2 ILE 21 2HG2 ILE 21 6.015 0.397 4.103 170 3HG2 ILE 21 3HG2 ILE 21 4.296 0.547 3.663 171 1HD1 ILE 21 1HD1 ILE 21 7.936 2.073 0.201 172 2HD1 ILE 21 2HD1 ILE 21 6.590 3.105 0.741 173 3HD1 ILE 21 3HD1 ILE 21 8.212 3.321 1.440 174 H TYR 22 H TYR 22 6.638 1.643 -1.149 175 HA TYR 22 HA TYR 22 5.558 4.074 -1.639 176 1HB TYR 22 1HB TYR 22 6.579 3.734 -3.864 177 2HB TYR 22 2HB TYR 22 7.551 2.839 -2.713 178 HD1 TYR 22 HD1 TYR 22 7.125 0.315 -2.473 179 HD2 TYR 22 HD2 TYR 22 5.585 2.647 -5.712 180 HE1 TYR 22 HE1 TYR 22 6.794 -1.798 -3.846 181 HE2 TYR 22 HE2 TYR 22 5.259 0.526 -7.075 182 HH TYR 22 HH TYR 22 5.654 -1.611 -7.196 183 H GLN 23 H GLN 23 4.338 0.878 -2.776 184 HA GLN 23 HA GLN 23 2.349 2.080 -4.388 185 1HB GLN 23 1HB GLN 23 3.024 -0.062 -5.111 186 2HB GLN 23 2HB GLN 23 2.993 -0.736 -3.493 187 1HG GLN 23 1HG GLN 23 1.065 -1.591 -4.723 188 2HG GLN 23 2HG GLN 23 0.487 -0.513 -3.467 189 1HE2 GLN 23 1HE2 GLN 23 -1.429 -0.438 -4.802 190 2HE2 GLN 23 2HE2 GLN 23 -1.540 0.690 -6.111 191 H LYS 24 H LYS 24 2.673 1.175 -1.004 192 HA LYS 24 HA LYS 24 -0.080 0.886 -0.447 193 1HB LYS 24 1HB LYS 24 2.332 0.497 0.901 194 2HB LYS 24 2HB LYS 24 1.565 1.801 1.785 195 1HG LYS 24 1HG LYS 24 -0.582 0.101 1.369 196 2HG LYS 24 2HG LYS 24 0.735 -1.046 1.512 197 1HD LYS 24 1HD LYS 24 0.976 -0.663 3.750 198 2HD LYS 24 2HD LYS 24 0.913 1.077 3.548 199 1HE LYS 24 1HE LYS 24 -1.633 0.829 3.223 200 2HE LYS 24 2HE LYS 24 -1.455 -0.839 3.730 201 1HZ LYS 24 1HZ LYS 24 -1.331 -0.178 5.812 202 2HZ LYS 24 2HZ LYS 24 -0.118 0.873 5.509 203 3HZ LYS 24 3HZ LYS 24 -1.672 1.350 5.345 204 H ILE 25 H ILE 25 2.221 3.597 0.333 205 HA ILE 25 HA ILE 25 0.384 5.395 1.207 206 HB ILE 25 HB ILE 25 2.765 6.086 -0.508 207 1HG1 ILE 25 1HG1 ILE 25 3.587 6.146 2.147 208 2HG1 ILE 25 2HG1 ILE 25 2.650 4.669 2.049 209 1HG2 ILE 25 1HG2 ILE 25 2.840 7.976 1.260 210 2HG2 ILE 25 2HG2 ILE 25 1.646 8.069 -0.057 211 3HG2 ILE 25 3HG2 ILE 25 1.142 7.539 1.566 212 1HD1 ILE 25 1HD1 ILE 25 4.607 3.781 1.251 213 2HD1 ILE 25 2HD1 ILE 25 4.073 4.490 -0.292 214 3HD1 ILE 25 3HD1 ILE 25 5.230 5.368 0.737 215 H ARG 26 H ARG 26 1.409 4.800 -2.217 216 HA ARG 26 HA ARG 26 -0.120 6.759 -3.338 217 1HB ARG 26 1HB ARG 26 1.192 4.251 -4.228 218 2HB ARG 26 2HB ARG 26 -0.190 4.680 -5.217 219 1HG ARG 26 1HG ARG 26 1.066 7.138 -4.939 220 2HG ARG 26 2HG ARG 26 2.438 6.048 -4.945 221 1HD ARG 26 1HD ARG 26 2.215 6.296 -7.236 222 2HD ARG 26 2HD ARG 26 1.096 4.963 -7.028 223 HE ARG 26 HE ARG 26 -0.491 7.199 -6.603 224 1HH1 ARG 26 2HH2 ARG 26 1.645 6.169 -9.203 225 2HH1 ARG 26 1HH2 ARG 26 0.753 6.996 -10.436 226 1HH2 ARG 26 2HH1 ARG 26 -1.668 8.291 -8.229 227 2HH2 ARG 26 1HH1 ARG 26 -1.144 8.211 -9.878 228 H ASP 27 H ASP 27 -1.025 3.622 -1.981 229 HA ASP 27 HA ASP 27 -3.466 3.395 -3.349 230 1HB ASP 27 1HB ASP 27 -1.934 1.773 -1.702 231 2HB ASP 27 2HB ASP 27 -3.261 2.186 -0.634 232 HD2 ASP 27 HD2 ASP 27 -2.945 -0.254 -3.407 233 H HIS 28 H HIS 28 -2.265 5.254 -0.633 234 HA HIS 28 HA HIS 28 -4.826 5.558 0.621 235 1HB HIS 28 1HB HIS 28 -2.162 5.847 1.402 236 2HB HIS 28 2HB HIS 28 -2.770 7.490 1.371 237 HD1 HIS 28 HD1 HIS 28 -2.905 7.836 3.900 238 HD2 HIS 28 HD2 HIS 28 -5.020 4.464 2.575 239 HE1 HIS 28 HE1 HIS 28 -4.272 7.021 5.894 240 H ASP 29 H ASP 29 -2.902 7.116 -1.889 241 HA ASP 29 HA ASP 29 -4.054 9.634 -1.730 242 1HB ASP 29 1HB ASP 29 -2.028 8.607 -3.155 243 2HB ASP 29 2HB ASP 29 -3.264 8.412 -4.381 244 HD2 ASP 29 HD2 ASP 29 -4.283 11.141 -4.848 245 H LEU 30 H LEU 30 -4.975 6.539 -3.297 246 HA LEU 30 HA LEU 30 -6.934 7.510 -5.019 247 1HB LEU 30 1HB LEU 30 -6.503 4.855 -3.665 248 2HB LEU 30 2HB LEU 30 -7.836 5.135 -4.768 249 HG LEU 30 HG LEU 30 -5.006 5.706 -5.625 250 1HD1 LEU 30 1HD1 LEU 30 -4.991 3.377 -6.602 251 2HD1 LEU 30 2HD1 LEU 30 -4.801 3.480 -4.835 252 3HD1 LEU 30 3HD1 LEU 30 -6.368 3.008 -5.535 253 1HD2 LEU 30 1HD2 LEU 30 -7.584 5.050 -7.065 254 2HD2 LEU 30 2HD2 LEU 30 -6.641 6.559 -7.121 255 3HD2 LEU 30 3HD2 LEU 30 -5.991 5.075 -7.859 256 H LEU 31 H LEU 31 -6.870 7.031 -1.518 257 HA LEU 31 HA LEU 31 -9.700 7.049 -1.218 258 1HB LEU 31 1HB LEU 31 -7.317 7.150 0.574 259 2HB LEU 31 2HB LEU 31 -8.864 7.665 1.217 260 HG LEU 31 HG LEU 31 -9.258 5.173 -0.136 261 1HD1 LEU 31 1HD1 LEU 31 -6.715 5.370 1.385 262 2HD1 LEU 31 2HD1 LEU 31 -7.734 3.946 1.701 263 3HD1 LEU 31 3HD1 LEU 31 -7.181 4.294 0.045 264 1HD2 LEU 31 1HD2 LEU 31 -9.225 5.157 2.806 265 2HD2 LEU 31 2HD2 LEU 31 -10.203 6.457 2.084 266 3HD2 LEU 31 3HD2 LEU 31 -10.530 4.760 1.662 267 H ASP 32 H ASP 32 -9.855 8.949 -2.839 268 HA ASP 32 HA ASP 32 -9.327 11.453 -1.480 269 1HB ASP 32 1HB ASP 32 -10.400 12.087 -3.966 270 2HB ASP 32 2HB ASP 32 -8.690 12.002 -3.594 271 HD2 ASP 32 HD2 ASP 32 -8.238 9.489 -5.869 272 H LYS 33 H LYS 33 -11.845 10.757 -3.965 273 HA LYS 33 HA LYS 33 -13.840 12.232 -2.942 274 1HB LYS 33 1HB LYS 33 -13.633 9.938 -4.764 275 2HB LYS 33 2HB LYS 33 -15.201 10.067 -3.993 276 1HG LYS 33 1HG LYS 33 -14.972 12.649 -4.623 277 2HG LYS 33 2HG LYS 33 -13.805 12.062 -5.790 278 1HD LYS 33 1HD LYS 33 -15.416 11.133 -7.125 279 2HD LYS 33 2HD LYS 33 -16.290 10.458 -5.764 280 1HE LYS 33 1HE LYS 33 -16.573 13.319 -5.616 281 2HE LYS 33 2HE LYS 33 -16.887 12.854 -7.276 282 1HZ LYS 33 1HZ LYS 33 -18.332 12.133 -4.881 283 2HZ LYS 33 2HZ LYS 33 -18.898 12.476 -6.375 284 3HZ LYS 33 3HZ LYS 33 -18.259 11.006 -6.062 285 H ARG 34 H ARG 34 -12.669 9.098 -1.756 286 HA ARG 34 HA ARG 34 -14.938 8.661 -0.138 287 1HB ARG 34 1HB ARG 34 -12.171 7.452 0.293 288 2HB ARG 34 2HB ARG 34 -13.720 6.745 0.706 289 1HG ARG 34 1HG ARG 34 -14.262 6.796 -1.825 290 2HG ARG 34 2HG ARG 34 -12.572 7.179 -2.084 291 1HD ARG 34 1HD ARG 34 -13.014 4.868 -0.261 292 2HD ARG 34 2HD ARG 34 -13.605 4.609 -1.890 293 HE ARG 34 HE ARG 34 -11.058 5.728 -2.226 294 1HH1 ARG 34 2HH2 ARG 34 -12.378 2.876 -0.643 295 2HH1 ARG 34 1HH2 ARG 34 -10.942 1.932 -0.864 296 1HH2 ARG 34 2HH1 ARG 34 -9.164 4.484 -2.517 297 2HH2 ARG 34 1HH1 ARG 34 -9.102 2.853 -1.937 298 H LYS 35 H LYS 35 -11.443 9.195 0.766 299 HA LYS 35 HA LYS 35 -12.023 9.906 3.401 300 1HB LYS 35 1HB LYS 35 -9.779 9.268 1.998 301 2HB LYS 35 2HB LYS 35 -9.556 10.997 2.174 302 1HG LYS 35 1HG LYS 35 -10.478 10.101 4.713 303 2HG LYS 35 2HG LYS 35 -9.316 8.896 4.193 304 1HD LYS 35 1HD LYS 35 -7.706 10.817 3.653 305 2HD LYS 35 2HD LYS 35 -8.848 11.904 4.419 306 1HE LYS 35 1HE LYS 35 -7.950 11.395 6.437 307 2HE LYS 35 2HE LYS 35 -8.498 9.741 6.248 308 1HZ LYS 35 1HZ LYS 35 -6.407 9.513 4.825 309 2HZ LYS 35 2HZ LYS 35 -5.899 10.872 5.574 310 3HZ LYS 35 3HZ LYS 35 -6.242 9.537 6.449 311 H THR 36 H THR 36 -10.810 12.287 4.025 312 HA THR 36 HA THR 36 -12.836 14.136 3.468 313 HB THR 36 HB THR 36 -9.985 14.429 4.549 314 HG1 THR 36 HG1 THR 36 -11.556 13.038 5.698 315 1HG2 THR 36 1HG2 THR 36 -12.411 16.296 4.650 316 2HG2 THR 36 2HG2 THR 36 -10.996 16.450 5.719 317 3HG2 THR 36 3HG2 THR 36 -10.812 16.671 3.962 318 H VAL 37 H VAL 37 -12.277 16.442 2.602 319 HA VAL 37 HA VAL 37 -10.660 16.170 0.177 320 HB VAL 37 HB VAL 37 -13.206 15.803 -0.113 321 1HG1 VAL 37 1HG1 VAL 37 -13.511 18.728 -0.423 322 2HG1 VAL 37 2HG1 VAL 37 -14.664 17.506 0.163 323 3HG1 VAL 37 3HG1 VAL 37 -13.418 18.151 1.258 324 1HG2 VAL 37 1HG2 VAL 37 -12.601 17.897 -2.028 325 2HG2 VAL 37 2HG2 VAL 37 -11.184 16.857 -1.751 326 3HG2 VAL 37 3HG2 VAL 37 -12.727 16.138 -2.269 327 H THR 38 H THR 38 -10.858 18.665 -0.874 328 HA THR 38 HA THR 38 -9.669 20.270 1.249 329 HB THR 38 HB THR 38 -8.899 19.720 -1.326 330 HG1 THR 38 HG1 THR 38 -7.681 21.812 -0.933 331 1HG2 THR 38 1HG2 THR 38 -9.516 21.363 -2.850 332 2HG2 THR 38 2HG2 THR 38 -11.013 21.364 -1.887 333 3HG2 THR 38 3HG2 THR 38 -9.756 22.586 -1.579 334 H ALA 39 H ALA 39 -10.130 22.847 0.303 335 HA ALA 39 HA ALA 39 -11.560 24.508 0.624 336 1HB ALA 39 1HB ALA 39 -13.064 24.570 -1.057 337 2HB ALA 39 2HB ALA 39 -12.532 22.917 -1.447 338 3HB ALA 39 3HB ALA 39 -13.959 23.173 -0.413 339 H LEU 40 H LEU 40 -13.970 25.026 1.530 340 HA LEU 40 HA LEU 40 -15.044 25.132 3.478 341 1HB LEU 40 1HB LEU 40 -15.361 22.231 2.720 342 2HB LEU 40 2HB LEU 40 -16.234 22.968 4.049 343 HG LEU 40 HG LEU 40 -16.465 24.474 1.536 344 1HD1 LEU 40 1HD1 LEU 40 -18.219 22.689 0.739 345 2HD1 LEU 40 2HD1 LEU 40 -16.502 22.547 0.289 346 3HD1 LEU 40 3HD1 LEU 40 -17.158 21.561 1.618 347 1HD2 LEU 40 1HD2 LEU 40 -17.775 24.593 3.810 348 2HD2 LEU 40 2HD2 LEU 40 -18.604 24.886 2.262 349 3HD2 LEU 40 3HD2 LEU 40 -18.758 23.307 3.070 350 H LYS 41 H LYS 41 -13.088 25.741 4.672 351 HA LYS 41 HA LYS 41 -11.353 23.967 5.843 352 1HB LYS 41 1HB LYS 41 -10.550 25.775 6.987 353 2HB LYS 41 2HB LYS 41 -11.448 26.598 5.728 354 1HG LYS 41 1HG LYS 41 -13.379 26.900 7.229 355 2HG LYS 41 2HG LYS 41 -12.609 25.937 8.474 356 1HD LYS 41 1HD LYS 41 -10.752 27.616 8.617 357 2HD LYS 41 2HD LYS 41 -11.534 28.581 7.381 358 1HE LYS 41 1HE LYS 41 -12.784 27.860 10.077 359 2HE LYS 41 2HE LYS 41 -12.029 29.398 9.705 360 1HZ LYS 41 1HZ LYS 41 -14.344 29.584 9.370 361 2HZ LYS 41 2HZ LYS 41 -13.655 29.618 7.890 362 3HZ LYS 41 3HZ LYS 41 -14.407 28.265 8.409 363 H ALA 42 H ALA 42 -11.254 23.829 8.457 364 HA ALA 42 HA ALA 42 -13.717 23.498 9.779 365 1HB ALA 42 1HB ALA 42 -12.710 21.234 8.181 366 2HB ALA 42 2HB ALA 42 -12.995 20.828 9.891 367 3HB ALA 42 3HB ALA 42 -14.315 21.498 8.903 368 H GLY 43 H GLY 43 -12.893 24.441 11.604 369 1HA GLY 43 1HA GLY 43 -10.512 23.140 12.783 370 2HA GLY 43 2HA GLY 43 -10.717 24.880 12.761 371 H GLU 44 H GLU 44 -13.145 25.538 13.556 372 HA GLU 44 HA GLU 44 -13.226 25.280 16.188 373 1HB GLU 44 1HB GLU 44 -14.992 26.203 14.162 374 2HB GLU 44 2HB GLU 44 -15.967 25.184 15.201 375 1HG GLU 44 1HG GLU 44 -15.790 26.608 17.005 376 2HG GLU 44 2HG GLU 44 -14.121 27.015 16.658 377 HE2 GLU 44 HE2 GLU 44 -15.963 29.850 16.396 378 H ASP 45 H ASP 45 -15.171 23.170 13.945 379 HA ASP 45 HA ASP 45 -15.505 21.341 16.161 380 1HB ASP 45 1HB ASP 45 -17.583 21.647 15.113 381 2HB ASP 45 2HB ASP 45 -16.873 21.818 13.520 382 HD2 ASP 45 HD2 ASP 45 -16.045 18.777 15.238 Start of MODEL 10 1 H MET 1 H MET 1 29.191 -5.201 -2.525 2 HA MET 1 HA MET 1 26.869 -5.667 -3.936 3 1HB MET 1 1HB MET 1 26.118 -3.789 -2.281 4 2HB MET 1 2HB MET 1 27.185 -2.719 -3.167 5 1HG MET 1 1HG MET 1 25.872 -3.644 -5.297 6 2HG MET 1 2HG MET 1 24.649 -4.076 -4.119 7 1HE MET 1 1HE MET 1 25.037 -1.115 -6.570 8 2HE MET 1 2HE MET 1 26.044 -0.051 -5.560 9 3HE MET 1 3HE MET 1 26.605 -1.694 -5.956 10 H PHE 2 H PHE 2 28.826 -6.377 -5.173 11 HA PHE 2 HA PHE 2 29.519 -4.367 -7.079 12 1HB PHE 2 1HB PHE 2 31.109 -4.479 -4.824 13 2HB PHE 2 2HB PHE 2 31.870 -5.747 -5.763 14 HD1 PHE 2 HD1 PHE 2 30.604 -2.275 -6.351 15 HD2 PHE 2 HD2 PHE 2 33.693 -5.111 -7.005 16 HE1 PHE 2 HE1 PHE 2 31.920 -0.551 -7.615 17 HE2 PHE 2 HE2 PHE 2 35.008 -3.387 -8.269 18 HZ PHE 2 HZ PHE 2 34.106 -1.127 -8.559 19 H ILE 3 H ILE 3 28.162 -7.024 -6.912 20 HA ILE 3 HA ILE 3 29.571 -9.186 -7.608 21 HB ILE 3 HB ILE 3 27.195 -9.211 -7.390 22 1HG1 ILE 3 1HG1 ILE 3 26.582 -10.444 -9.554 23 2HG1 ILE 3 2HG1 ILE 3 28.214 -10.102 -10.092 24 1HG2 ILE 3 1HG2 ILE 3 26.110 -8.305 -9.781 25 2HG2 ILE 3 2HG2 ILE 3 26.024 -7.499 -8.197 26 3HG2 ILE 3 3HG2 ILE 3 27.308 -7.061 -9.349 27 1HD1 ILE 3 1HD1 ILE 3 29.200 -11.402 -8.366 28 2HD1 ILE 3 2HD1 ILE 3 27.721 -11.369 -7.377 29 3HD1 ILE 3 3HD1 ILE 3 27.780 -12.356 -8.857 30 H TRP 4 H TRP 4 31.191 -9.594 -9.004 31 HA TRP 4 HA TRP 4 31.476 -7.807 -11.291 32 1HB TRP 4 1HB TRP 4 33.731 -8.686 -11.447 33 2HB TRP 4 2HB TRP 4 33.402 -8.040 -9.851 34 HD1 TRP 4 HD1 TRP 4 33.328 -9.839 -7.800 35 HE1 TRP 4 HE1 TRP 4 34.214 -12.302 -7.466 36 HE3 TRP 4 HE3 TRP 4 34.039 -10.812 -12.740 37 HZ2 TRP 4 HZ2 TRP 4 35.093 -14.336 -9.265 38 HZ3 TRP 4 HZ3 TRP 4 34.914 -13.061 -13.366 39 HH2 TRP 4 HH2 TRP 4 35.437 -14.792 -11.722 40 H THR 5 H THR 5 30.973 -11.228 -10.315 41 HA THR 5 HA THR 5 31.375 -12.622 -12.567 42 HB THR 5 HB THR 5 30.261 -13.168 -10.196 43 HG1 THR 5 HG1 THR 5 29.428 -14.426 -12.712 44 1HG2 THR 5 1HG2 THR 5 27.862 -13.159 -12.098 45 2HG2 THR 5 2HG2 THR 5 27.877 -13.693 -10.400 46 3HG2 THR 5 3HG2 THR 5 28.083 -11.969 -10.793 47 H SER 6 H SER 6 28.533 -10.482 -11.965 48 HA SER 6 HA SER 6 27.283 -9.406 -13.398 49 1HB SER 6 1HB SER 6 29.538 -9.741 -14.932 50 2HB SER 6 2HB SER 6 28.362 -10.589 -15.915 51 HG SER 6 HG SER 6 26.988 -8.611 -15.713 52 H GLY 7 H GLY 7 25.812 -11.119 -12.364 53 1HA GLY 7 1HA GLY 7 24.450 -12.568 -14.501 54 2HA GLY 7 2HA GLY 7 25.082 -13.525 -13.175 55 H ARG 8 H ARG 8 23.469 -14.050 -11.768 56 HA ARG 8 HA ARG 8 21.492 -11.976 -11.272 57 1HB ARG 8 1HB ARG 8 21.372 -14.975 -11.428 58 2HB ARG 8 2HB ARG 8 20.340 -14.227 -10.225 59 1HG ARG 8 1HG ARG 8 19.732 -12.590 -12.275 60 2HG ARG 8 2HG ARG 8 20.259 -13.962 -13.229 61 1HD ARG 8 1HD ARG 8 18.660 -15.426 -11.886 62 2HD ARG 8 2HD ARG 8 18.065 -13.977 -11.101 63 HE ARG 8 HE ARG 8 18.004 -13.676 -13.982 64 1HH1 ARG 8 2HH2 ARG 8 16.302 -15.181 -11.295 65 2HH1 ARG 8 1HH2 ARG 8 14.775 -15.214 -12.114 66 1HH2 ARG 8 2HH1 ARG 8 15.990 -13.719 -15.062 67 2HH2 ARG 8 1HH1 ARG 8 14.597 -14.377 -14.271 68 H THR 9 H THR 9 20.940 -11.449 -9.072 69 HA THR 9 HA THR 9 22.776 -12.598 -7.073 70 HB THR 9 HB THR 9 22.287 -10.188 -6.031 71 HG1 THR 9 HG1 THR 9 22.015 -9.838 -8.925 72 1HG2 THR 9 1HG2 THR 9 24.165 -10.985 -8.248 73 2HG2 THR 9 2HG2 THR 9 23.985 -9.243 -7.928 74 3HG2 THR 9 3HG2 THR 9 24.539 -10.334 -6.635 75 H SER 10 H SER 10 21.621 -11.516 -4.783 76 HA SER 10 HA SER 10 19.433 -13.307 -4.551 77 1HB SER 10 1HB SER 10 21.220 -12.829 -2.777 78 2HB SER 10 2HB SER 10 20.426 -11.293 -2.493 79 HG SER 10 HG SER 10 18.773 -13.606 -2.460 80 H SER 11 H SER 11 18.017 -11.604 -2.490 81 HA SER 11 HA SER 11 16.243 -10.371 -4.315 82 1HB SER 11 1HB SER 11 16.345 -10.585 -1.284 83 2HB SER 11 2HB SER 11 15.099 -9.657 -2.094 84 HG SER 11 HG SER 11 14.998 -12.228 -1.593 85 H SER 12 H SER 12 16.942 -8.728 -1.243 86 HA SER 12 HA SER 12 17.777 -6.781 -0.742 87 1HB SER 12 1HB SER 12 18.983 -6.033 -3.341 88 2HB SER 12 2HB SER 12 19.710 -6.090 -1.748 89 HG SER 12 HG SER 12 19.929 -7.895 -3.765 90 H TYR 13 H TYR 13 15.375 -7.402 -2.825 91 HA TYR 13 HA TYR 13 14.862 -4.560 -3.395 92 1HB TYR 13 1HB TYR 13 13.715 -5.395 -5.390 93 2HB TYR 13 2HB TYR 13 15.221 -6.288 -5.316 94 HD1 TYR 13 HD1 TYR 13 15.233 -8.665 -4.542 95 HD2 TYR 13 HD2 TYR 13 11.591 -6.500 -5.141 96 HE1 TYR 13 HE1 TYR 13 13.932 -10.849 -4.582 97 HE2 TYR 13 HE2 TYR 13 10.303 -8.692 -5.179 98 HH TYR 13 HH TYR 13 10.681 -10.992 -5.619 99 H ARG 14 H ARG 14 13.404 -7.757 -2.517 100 HA ARG 14 HA ARG 14 11.053 -6.325 -1.648 101 1HB ARG 14 1HB ARG 14 11.589 -8.968 -2.714 102 2HB ARG 14 2HB ARG 14 10.849 -9.157 -1.137 103 1HG ARG 14 1HG ARG 14 9.102 -7.392 -1.946 104 2HG ARG 14 2HG ARG 14 9.739 -7.677 -3.554 105 1HD ARG 14 1HD ARG 14 9.211 -10.214 -2.168 106 2HD ARG 14 2HD ARG 14 7.773 -9.214 -2.217 107 HE ARG 14 HE ARG 14 9.083 -10.486 -4.493 108 1HH1 ARG 14 2HH2 ARG 14 7.042 -7.788 -3.523 109 2HH1 ARG 14 1HH2 ARG 14 6.328 -7.599 -5.090 110 1HH2 ARG 14 2HH1 ARG 14 8.141 -10.237 -6.561 111 2HH2 ARG 14 1HH1 ARG 14 6.958 -9.001 -6.829 112 H HIS 15 H HIS 15 13.867 -8.165 -0.475 113 HA HIS 15 HA HIS 15 13.098 -8.905 2.012 114 1HB HIS 15 1HB HIS 15 15.542 -8.500 0.592 115 2HB HIS 15 2HB HIS 15 15.736 -7.806 2.189 116 HD1 HIS 15 HD1 HIS 15 15.200 -9.495 4.264 117 HD2 HIS 15 HD2 HIS 15 15.713 -11.252 0.489 118 HE1 HIS 15 HE1 HIS 15 15.635 -11.974 4.682 119 H ASP 16 H ASP 16 13.491 -5.656 0.731 120 HA ASP 16 HA ASP 16 13.610 -4.520 3.362 121 1HB ASP 16 1HB ASP 16 13.011 -2.609 1.246 122 2HB ASP 16 2HB ASP 16 14.432 -2.707 2.267 123 HD2 ASP 16 HD2 ASP 16 15.791 -2.235 0.242 124 H GLU 17 H GLU 17 11.799 -3.602 4.427 125 HA GLU 17 HA GLU 17 9.263 -4.150 3.210 126 1HB GLU 17 1HB GLU 17 10.308 -3.858 5.903 127 2HB GLU 17 2HB GLU 17 8.923 -2.803 5.705 128 1HG GLU 17 1HG GLU 17 7.441 -4.555 5.453 129 2HG GLU 17 2HG GLU 17 8.582 -5.534 4.552 130 HE2 GLU 17 HE2 GLU 17 7.782 -6.598 8.010 131 H LYS 18 H LYS 18 11.425 -1.427 3.807 132 HA LYS 18 HA LYS 18 9.357 0.539 3.442 133 1HB LYS 18 1HB LYS 18 12.300 0.556 4.001 134 2HB LYS 18 2HB LYS 18 11.575 1.995 3.312 135 1HG LYS 18 1HG LYS 18 9.799 1.114 5.378 136 2HG LYS 18 2HG LYS 18 11.417 1.008 6.043 137 1HD LYS 18 1HD LYS 18 10.958 3.491 4.489 138 2HD LYS 18 2HD LYS 18 9.886 3.334 5.866 139 1HE LYS 18 1HE LYS 18 11.799 4.432 6.757 140 2HE LYS 18 2HE LYS 18 12.003 2.765 7.258 141 1HZ LYS 18 1HZ LYS 18 13.973 2.991 6.290 142 2HZ LYS 18 2HZ LYS 18 13.190 2.786 4.871 143 3HZ LYS 18 3HZ LYS 18 13.541 4.291 5.400 144 H ARG 19 H ARG 19 10.567 -1.683 1.391 145 HA ARG 19 HA ARG 19 10.959 0.198 -0.774 146 1HB ARG 19 1HB ARG 19 11.723 -2.667 -0.265 147 2HB ARG 19 2HB ARG 19 11.405 -2.233 -1.933 148 1HG ARG 19 1HG ARG 19 13.010 -0.127 -0.828 149 2HG ARG 19 2HG ARG 19 13.742 -1.636 -0.320 150 1HD ARG 19 1HD ARG 19 14.735 -1.142 -2.447 151 2HD ARG 19 2HD ARG 19 13.574 -2.415 -2.769 152 HE ARG 19 HE ARG 19 12.130 -0.047 -3.125 153 1HH1 ARG 19 2HH2 ARG 19 15.044 -1.446 -4.514 154 2HH1 ARG 19 1HH2 ARG 19 14.843 -0.664 -6.047 155 1HH2 ARG 19 2HH1 ARG 19 11.863 0.984 -5.147 156 2HH2 ARG 19 1HH1 ARG 19 13.021 0.727 -6.409 157 H ASN 20 H ASN 20 8.547 -1.708 0.721 158 HA ASN 20 HA ASN 20 7.045 -1.772 -1.779 159 1HB ASN 20 1HB ASN 20 7.705 -3.972 -0.235 160 2HB ASN 20 2HB ASN 20 6.159 -3.542 0.469 161 1HD2 ASN 20 1HD2 ASN 20 6.865 -5.872 -1.071 162 2HD2 ASN 20 2HD2 ASN 20 5.844 -5.923 -2.469 163 H ILE 21 H ILE 21 7.251 0.508 0.022 164 HA ILE 21 HA ILE 21 4.651 0.428 1.382 165 HB ILE 21 HB ILE 21 5.819 2.623 2.384 166 1HG1 ILE 21 1HG1 ILE 21 8.199 2.070 2.893 167 2HG1 ILE 21 2HG1 ILE 21 8.114 0.748 1.745 168 1HG2 ILE 21 1HG2 ILE 21 5.276 -0.055 3.232 169 2HG2 ILE 21 2HG2 ILE 21 6.814 0.478 3.953 170 3HG2 ILE 21 3HG2 ILE 21 5.337 1.441 4.195 171 1HD1 ILE 21 1HD1 ILE 21 7.109 3.293 0.626 172 2HD1 ILE 21 2HD1 ILE 21 8.814 3.367 1.131 173 3HD1 ILE 21 3HD1 ILE 21 8.288 2.143 -0.049 174 H TYR 22 H TYR 22 6.675 1.978 -1.083 175 HA TYR 22 HA TYR 22 5.301 4.332 -1.461 176 1HB TYR 22 1HB TYR 22 6.392 4.204 -3.659 177 2HB TYR 22 2HB TYR 22 7.454 3.366 -2.545 178 HD1 TYR 22 HD1 TYR 22 7.424 0.831 -2.480 179 HD2 TYR 22 HD2 TYR 22 5.418 3.078 -5.519 180 HE1 TYR 22 HE1 TYR 22 7.333 -1.235 -3.958 181 HE2 TYR 22 HE2 TYR 22 5.334 1.004 -6.987 182 HH TYR 22 HH TYR 22 5.333 -1.528 -6.524 183 H GLN 23 H GLN 23 4.608 1.035 -2.779 184 HA GLN 23 HA GLN 23 2.473 1.941 -4.355 185 1HB GLN 23 1HB GLN 23 3.935 -0.350 -4.265 186 2HB GLN 23 2HB GLN 23 2.513 -0.898 -3.399 187 1HG GLN 23 1HG GLN 23 1.828 0.665 -5.812 188 2HG GLN 23 2HG GLN 23 2.790 -0.751 -6.186 189 1HE2 GLN 23 1HE2 GLN 23 -0.246 0.341 -5.932 190 2HE2 GLN 23 2HE2 GLN 23 -1.116 -1.101 -5.529 191 H LYS 24 H LYS 24 2.825 1.766 -1.005 192 HA LYS 24 HA LYS 24 0.107 0.927 -0.470 193 1HB LYS 24 1HB LYS 24 2.527 0.818 0.935 194 2HB LYS 24 2HB LYS 24 1.587 2.030 1.783 195 1HG LYS 24 1HG LYS 24 -0.292 0.483 2.057 196 2HG LYS 24 2HG LYS 24 0.468 -0.705 1.016 197 1HD LYS 24 1HD LYS 24 2.329 -0.976 2.640 198 2HD LYS 24 2HD LYS 24 1.639 0.266 3.666 199 1HE LYS 24 1HE LYS 24 -0.302 -1.865 2.988 200 2HE LYS 24 2HE LYS 24 1.104 -2.475 3.837 201 1HZ LYS 24 1HZ LYS 24 -1.006 -1.225 4.962 202 2HZ LYS 24 2HZ LYS 24 0.431 -1.503 5.687 203 3HZ LYS 24 3HZ LYS 24 0.143 -0.065 4.970 204 H ILE 25 H ILE 25 2.119 3.851 0.337 205 HA ILE 25 HA ILE 25 0.088 5.480 1.112 206 HB ILE 25 HB ILE 25 2.460 6.378 -0.518 207 1HG1 ILE 25 1HG1 ILE 25 3.215 6.535 2.135 208 2HG1 ILE 25 2HG1 ILE 25 2.370 5.000 2.076 209 1HG2 ILE 25 1HG2 ILE 25 2.150 8.454 0.342 210 2HG2 ILE 25 2HG2 ILE 25 0.459 7.899 0.398 211 3HG2 ILE 25 3HG2 ILE 25 1.462 7.848 1.868 212 1HD1 ILE 25 1HD1 ILE 25 4.468 4.281 1.406 213 2HD1 ILE 25 2HD1 ILE 25 3.809 4.715 -0.189 214 3HD1 ILE 25 3HD1 ILE 25 4.883 5.846 0.667 215 H ARG 26 H ARG 26 1.313 4.960 -2.259 216 HA ARG 26 HA ARG 26 -0.301 6.753 -3.492 217 1HB ARG 26 1HB ARG 26 1.192 4.312 -4.250 218 2HB ARG 26 2HB ARG 26 -0.197 4.585 -5.283 219 1HG ARG 26 1HG ARG 26 0.874 7.144 -5.088 220 2HG ARG 26 2HG ARG 26 2.317 6.150 -5.046 221 1HD ARG 26 1HD ARG 26 0.684 5.012 -7.084 222 2HD ARG 26 2HD ARG 26 0.563 6.746 -7.309 223 HE ARG 26 HE ARG 26 3.314 6.006 -6.848 224 1HH1 ARG 26 2HH2 ARG 26 0.802 5.903 -9.310 225 2HH1 ARG 26 1HH2 ARG 26 1.920 5.899 -10.633 226 1HH2 ARG 26 2HH1 ARG 26 4.790 6.002 -8.593 227 2HH2 ARG 26 1HH1 ARG 26 4.204 5.956 -10.222 228 H ASP 27 H ASP 27 -1.092 3.640 -2.028 229 HA ASP 27 HA ASP 27 -3.524 3.335 -3.461 230 1HB ASP 27 1HB ASP 27 -1.895 1.674 -1.951 231 2HB ASP 27 2HB ASP 27 -3.216 1.959 -0.837 232 HD2 ASP 27 HD2 ASP 27 -3.058 -0.859 -2.762 233 H HIS 28 H HIS 28 -2.345 5.056 -0.645 234 HA HIS 28 HA HIS 28 -4.942 5.209 0.601 235 1HB HIS 28 1HB HIS 28 -2.280 5.398 1.477 236 2HB HIS 28 2HB HIS 28 -2.926 7.018 1.654 237 HD1 HIS 28 HD1 HIS 28 -3.129 7.010 4.202 238 HD2 HIS 28 HD2 HIS 28 -5.136 3.813 2.370 239 HE1 HIS 28 HE1 HIS 28 -4.525 5.902 6.028 240 H ASP 29 H ASP 29 -3.071 6.866 -1.815 241 HA ASP 29 HA ASP 29 -4.192 9.414 -1.367 242 1HB ASP 29 1HB ASP 29 -2.089 8.425 -2.849 243 2HB ASP 29 2HB ASP 29 -3.274 8.678 -4.115 244 HD2 ASP 29 HD2 ASP 29 -4.007 11.737 -3.217 245 H LEU 30 H LEU 30 -5.082 6.435 -3.058 246 HA LEU 30 HA LEU 30 -6.802 7.457 -4.988 247 1HB LEU 30 1HB LEU 30 -6.771 4.831 -3.502 248 2HB LEU 30 2HB LEU 30 -7.847 5.174 -4.842 249 HG LEU 30 HG LEU 30 -4.833 5.334 -5.063 250 1HD1 LEU 30 1HD1 LEU 30 -6.668 2.992 -5.626 251 2HD1 LEU 30 2HD1 LEU 30 -4.986 3.116 -6.196 252 3HD1 LEU 30 3HD1 LEU 30 -5.333 3.072 -4.451 253 1HD2 LEU 30 1HD2 LEU 30 -5.593 4.868 -7.546 254 2HD2 LEU 30 2HD2 LEU 30 -7.117 5.591 -6.977 255 3HD2 LEU 30 3HD2 LEU 30 -5.598 6.514 -6.869 256 H LEU 31 H LEU 31 -7.002 7.496 -1.538 257 HA LEU 31 HA LEU 31 -9.842 7.427 -1.366 258 1HB LEU 31 1HB LEU 31 -7.562 7.997 0.476 259 2HB LEU 31 2HB LEU 31 -9.168 8.523 0.941 260 HG LEU 31 HG LEU 31 -9.377 5.813 0.071 261 1HD1 LEU 31 1HD1 LEU 31 -7.242 5.129 0.438 262 2HD1 LEU 31 2HD1 LEU 31 -6.908 6.414 1.623 263 3HD1 LEU 31 3HD1 LEU 31 -7.858 4.987 2.102 264 1HD2 LEU 31 1HD2 LEU 31 -9.428 6.346 2.968 265 2HD2 LEU 31 2HD2 LEU 31 -10.462 7.416 1.991 266 3HD2 LEU 31 3HD2 LEU 31 -10.669 5.650 1.898 267 H ASP 32 H ASP 32 -9.995 8.977 -3.323 268 HA ASP 32 HA ASP 32 -9.251 11.583 -3.175 269 1HB ASP 32 1HB ASP 32 -11.020 9.955 -4.750 270 2HB ASP 32 2HB ASP 32 -11.912 11.402 -4.322 271 HD2 ASP 32 HD2 ASP 32 -9.490 10.197 -6.338 272 H LYS 33 H LYS 33 -11.635 9.807 -1.331 273 HA LYS 33 HA LYS 33 -13.607 11.569 -0.778 274 1HB LYS 33 1HB LYS 33 -12.325 9.312 0.605 275 2HB LYS 33 2HB LYS 33 -13.109 10.441 1.690 276 1HG LYS 33 1HG LYS 33 -15.096 10.312 -0.087 277 2HG LYS 33 2HG LYS 33 -14.328 8.805 -0.544 278 1HD LYS 33 1HD LYS 33 -15.052 7.737 1.337 279 2HD LYS 33 2HD LYS 33 -14.551 9.054 2.379 280 1HE LYS 33 1HE LYS 33 -16.882 9.111 2.655 281 2HE LYS 33 2HE LYS 33 -16.657 10.314 1.401 282 1HZ LYS 33 1HZ LYS 33 -16.869 7.990 0.044 283 2HZ LYS 33 2HZ LYS 33 -17.956 7.805 1.249 284 3HZ LYS 33 3HZ LYS 33 -18.061 9.088 0.244 285 H ARG 34 H ARG 34 -10.196 11.727 0.206 286 HA ARG 34 HA ARG 34 -10.639 13.689 2.168 287 1HB ARG 34 1HB ARG 34 -8.174 12.708 0.666 288 2HB ARG 34 2HB ARG 34 -8.063 14.029 1.812 289 1HG ARG 34 1HG ARG 34 -9.543 12.089 3.206 290 2HG ARG 34 2HG ARG 34 -8.373 11.138 2.314 291 1HD ARG 34 1HD ARG 34 -7.418 11.761 4.492 292 2HD ARG 34 2HD ARG 34 -6.522 12.568 3.220 293 HE ARG 34 HE ARG 34 -8.738 14.191 4.204 294 1HH1 ARG 34 2HH2 ARG 34 -5.403 13.252 4.819 295 2HH1 ARG 34 1HH2 ARG 34 -5.033 14.682 5.723 296 1HH2 ARG 34 2HH1 ARG 34 -8.250 16.078 5.397 297 2HH2 ARG 34 1HH1 ARG 34 -6.663 16.300 6.054 298 H LYS 35 H LYS 35 -8.229 14.330 -0.381 299 HA LYS 35 HA LYS 35 -7.876 16.078 -1.682 300 1HB LYS 35 1HB LYS 35 -9.635 15.174 -3.032 301 2HB LYS 35 2HB LYS 35 -10.877 15.857 -2.002 302 1HG LYS 35 1HG LYS 35 -10.676 17.285 -3.957 303 2HG LYS 35 2HG LYS 35 -10.038 18.170 -2.586 304 1HD LYS 35 1HD LYS 35 -7.709 17.198 -3.296 305 2HD LYS 35 2HD LYS 35 -8.488 16.799 -4.814 306 1HE LYS 35 1HE LYS 35 -9.133 19.183 -5.136 307 2HE LYS 35 2HE LYS 35 -8.417 19.600 -3.591 308 1HZ LYS 35 1HZ LYS 35 -7.135 19.570 -5.955 309 2HZ LYS 35 2HZ LYS 35 -6.412 19.597 -4.491 310 3HZ LYS 35 3HZ LYS 35 -6.625 18.178 -5.270 311 H THR 36 H THR 36 -8.096 18.494 -1.905 312 HA THR 36 HA THR 36 -7.849 20.437 -0.810 313 HB THR 36 HB THR 36 -10.367 20.128 -1.482 314 HG1 THR 36 HG1 THR 36 -9.087 22.108 -0.735 315 1HG2 THR 36 1HG2 THR 36 -10.463 19.916 1.572 316 2HG2 THR 36 2HG2 THR 36 -11.851 20.413 0.574 317 3HG2 THR 36 3HG2 THR 36 -11.172 18.777 0.403 318 H VAL 37 H VAL 37 -8.744 21.547 1.552 319 HA VAL 37 HA VAL 37 -7.950 21.746 3.622 320 HB VAL 37 HB VAL 37 -9.929 19.894 3.507 321 1HG1 VAL 37 1HG1 VAL 37 -9.438 17.900 4.556 322 2HG1 VAL 37 2HG1 VAL 37 -7.931 18.173 3.647 323 3HG1 VAL 37 3HG1 VAL 37 -8.006 18.559 5.383 324 1HG2 VAL 37 1HG2 VAL 37 -9.338 20.075 6.243 325 2HG2 VAL 37 2HG2 VAL 37 -8.662 21.556 5.522 326 3HG2 VAL 37 3HG2 VAL 37 -10.382 21.159 5.292 327 H THR 38 H THR 38 -6.777 20.059 5.501 328 HA THR 38 HA THR 38 -4.750 18.428 4.391 329 HB THR 38 HB THR 38 -4.227 21.083 3.937 330 HG1 THR 38 HG1 THR 38 -3.044 18.999 3.419 331 1HG2 THR 38 1HG2 THR 38 -2.983 22.084 5.626 332 2HG2 THR 38 2HG2 THR 38 -4.035 21.097 6.668 333 3HG2 THR 38 3HG2 THR 38 -2.402 20.522 6.253 334 H ALA 39 H ALA 39 -2.793 18.628 6.359 335 HA ALA 39 HA ALA 39 -3.888 18.848 8.942 336 1HB ALA 39 1HB ALA 39 -4.926 16.664 7.791 337 2HB ALA 39 2HB ALA 39 -3.367 15.967 8.295 338 3HB ALA 39 3HB ALA 39 -4.455 16.686 9.507 339 H LEU 40 H LEU 40 -2.268 18.150 10.604 340 HA LEU 40 HA LEU 40 0.389 17.764 9.435 341 1HB LEU 40 1HB LEU 40 -0.403 19.843 11.476 342 2HB LEU 40 2HB LEU 40 1.254 19.382 11.139 343 HG LEU 40 HG LEU 40 -0.235 20.120 8.721 344 1HD1 LEU 40 1HD1 LEU 40 0.298 22.351 10.687 345 2HD1 LEU 40 2HD1 LEU 40 -0.541 22.427 9.119 346 3HD1 LEU 40 3HD1 LEU 40 -1.299 21.589 10.494 347 1HD2 LEU 40 1HD2 LEU 40 1.827 21.673 8.569 348 2HD2 LEU 40 2HD2 LEU 40 2.421 20.765 9.979 349 3HD2 LEU 40 3HD2 LEU 40 2.064 19.913 8.458 350 H LYS 41 H LYS 41 0.860 15.719 10.089 351 HA LYS 41 HA LYS 41 -0.221 14.443 12.267 352 1HB LYS 41 1HB LYS 41 1.162 12.709 11.718 353 2HB LYS 41 2HB LYS 41 1.235 13.626 10.227 354 1HG LYS 41 1HG LYS 41 3.350 14.685 10.921 355 2HG LYS 41 2HG LYS 41 3.252 13.933 12.500 356 1HD LYS 41 1HD LYS 41 4.430 12.189 11.655 357 2HD LYS 41 2HD LYS 41 3.012 11.766 10.716 358 1HE LYS 41 1HE LYS 41 3.825 13.413 8.924 359 2HE LYS 41 2HE LYS 41 5.313 13.569 9.835 360 1HZ LYS 41 1HZ LYS 41 5.640 11.898 8.254 361 2HZ LYS 41 2HZ LYS 41 5.476 11.106 9.673 362 3HZ LYS 41 3HZ LYS 41 4.240 11.134 8.606 363 H ALA 42 H ALA 42 1.412 13.511 14.105 364 HA ALA 42 HA ALA 42 2.303 13.999 16.073 365 1HB ALA 42 1HB ALA 42 4.423 14.979 16.000 366 2HB ALA 42 2HB ALA 42 4.186 14.488 14.306 367 3HB ALA 42 3HB ALA 42 3.937 16.184 14.783 368 H GLY 43 H GLY 43 2.966 16.081 17.588 369 1HA GLY 43 1HA GLY 43 2.255 18.459 17.816 370 2HA GLY 43 2HA GLY 43 0.653 17.912 17.365 371 H GLU 44 H GLU 44 -0.185 15.929 18.749 372 HA GLU 44 HA GLU 44 -1.031 15.451 20.712 373 1HB GLU 44 1HB GLU 44 1.621 14.584 20.582 374 2HB GLU 44 2HB GLU 44 1.540 15.341 22.161 375 1HG GLU 44 1HG GLU 44 -0.587 13.982 22.602 376 2HG GLU 44 2HG GLU 44 -0.274 13.125 21.106 377 HE2 GLU 44 HE2 GLU 44 1.409 12.706 24.527 378 H ASP 45 H ASP 45 -1.994 17.634 20.969 379 HA ASP 45 HA ASP 45 -1.566 18.637 23.476 380 1HB ASP 45 1HB ASP 45 0.217 19.767 21.435 381 2HB ASP 45 2HB ASP 45 -0.810 21.011 22.122 382 HD2 ASP 45 HD2 ASP 45 1.955 21.200 24.188 Start of MODEL 11 1 H MET 1 H MET 1 -2.860 -5.345 -7.881 2 HA MET 1 HA MET 1 -1.359 -7.572 -7.389 3 1HB MET 1 1HB MET 1 -4.241 -6.923 -7.929 4 2HB MET 1 2HB MET 1 -3.818 -8.610 -8.146 5 1HG MET 1 1HG MET 1 -3.981 -8.868 -5.894 6 2HG MET 1 2HG MET 1 -2.539 -7.885 -5.729 7 1HE MET 1 1HE MET 1 -2.558 -6.780 -4.023 8 2HE MET 1 2HE MET 1 -3.382 -5.219 -3.793 9 3HE MET 1 3HE MET 1 -4.034 -6.689 -3.031 10 H PHE 2 H PHE 2 -0.186 -8.899 -8.699 11 HA PHE 2 HA PHE 2 -0.277 -8.635 -11.491 12 1HB PHE 2 1HB PHE 2 1.181 -10.784 -11.244 13 2HB PHE 2 2HB PHE 2 1.752 -9.374 -10.373 14 HD1 PHE 2 HD1 PHE 2 2.344 -9.631 -8.158 15 HD2 PHE 2 HD2 PHE 2 -0.459 -12.338 -9.840 16 HE1 PHE 2 HE1 PHE 2 2.331 -10.946 -6.020 17 HE2 PHE 2 HE2 PHE 2 -0.471 -13.653 -7.702 18 HZ PHE 2 HZ PHE 2 0.924 -12.942 -5.818 19 H ILE 3 H ILE 3 -0.167 -11.161 -12.599 20 HA ILE 3 HA ILE 3 -2.869 -12.185 -12.064 21 HB ILE 3 HB ILE 3 -2.616 -10.932 -14.189 22 1HG1 ILE 3 1HG1 ILE 3 -4.338 -12.662 -13.886 23 2HG1 ILE 3 2HG1 ILE 3 -3.797 -12.547 -15.549 24 1HG2 ILE 3 1HG2 ILE 3 -0.909 -11.242 -15.570 25 2HG2 ILE 3 2HG2 ILE 3 -0.212 -12.388 -14.400 26 3HG2 ILE 3 3HG2 ILE 3 -1.272 -12.979 -15.702 27 1HD1 ILE 3 1HD1 ILE 3 -2.034 -14.427 -14.548 28 2HD1 ILE 3 2HD1 ILE 3 -3.512 -14.783 -13.621 29 3HD1 ILE 3 3HD1 ILE 3 -3.549 -14.813 -15.401 30 H TRP 4 H TRP 4 -3.052 -14.317 -11.544 31 HA TRP 4 HA TRP 4 -0.740 -16.023 -12.120 32 1HB TRP 4 1HB TRP 4 -0.467 -16.743 -9.979 33 2HB TRP 4 2HB TRP 4 -0.859 -15.057 -9.707 34 HD1 TRP 4 HD1 TRP 4 -2.942 -14.593 -8.149 35 HE1 TRP 4 HE1 TRP 4 -4.805 -16.003 -6.921 36 HE3 TRP 4 HE3 TRP 4 -1.858 -19.000 -10.441 37 HZ2 TRP 4 HZ2 TRP 4 -5.598 -18.742 -7.044 38 HZ3 TRP 4 HZ3 TRP 4 -3.224 -20.994 -9.831 39 HH2 TRP 4 HH2 TRP 4 -5.040 -20.915 -8.196 40 H THR 5 H THR 5 -1.331 -18.233 -12.517 41 HA THR 5 HA THR 5 -4.046 -19.073 -12.182 42 HB THR 5 HB THR 5 -4.154 -19.457 -14.808 43 HG1 THR 5 HG1 THR 5 -2.831 -17.858 -15.874 44 1HG2 THR 5 1HG2 THR 5 -5.509 -17.573 -15.000 45 2HG2 THR 5 2HG2 THR 5 -5.355 -17.583 -13.226 46 3HG2 THR 5 3HG2 THR 5 -4.318 -16.517 -14.204 47 H SER 6 H SER 6 -2.302 -20.303 -14.946 48 HA SER 6 HA SER 6 -2.101 -22.805 -13.683 49 1HB SER 6 1HB SER 6 -2.253 -21.992 -16.273 50 2HB SER 6 2HB SER 6 -0.522 -22.246 -16.169 51 HG SER 6 HG SER 6 -1.232 -24.251 -16.713 52 H GLY 7 H GLY 7 -0.786 -21.562 -11.825 53 1HA GLY 7 1HA GLY 7 1.349 -22.354 -10.939 54 2HA GLY 7 2HA GLY 7 2.089 -21.876 -12.453 55 H ARG 8 H ARG 8 1.762 -20.958 -9.290 56 HA ARG 8 HA ARG 8 1.191 -18.225 -9.621 57 1HB ARG 8 1HB ARG 8 2.158 -20.012 -7.399 58 2HB ARG 8 2HB ARG 8 2.471 -18.297 -7.216 59 1HG ARG 8 1HG ARG 8 -0.227 -18.505 -8.129 60 2HG ARG 8 2HG ARG 8 -0.041 -19.741 -6.901 61 1HD ARG 8 1HD ARG 8 1.201 -17.137 -6.172 62 2HD ARG 8 2HD ARG 8 -0.535 -17.052 -6.395 63 HE ARG 8 HE ARG 8 -0.277 -19.302 -4.841 64 1HH1 ARG 8 2HH2 ARG 8 1.014 -16.044 -4.529 65 2HH1 ARG 8 1HH2 ARG 8 1.061 -16.090 -2.798 66 1HH2 ARG 8 2HH1 ARG 8 -0.215 -19.364 -2.557 67 2HH2 ARG 8 1HH1 ARG 8 0.357 -17.992 -1.669 68 H THR 9 H THR 9 2.643 -16.434 -9.722 69 HA THR 9 HA THR 9 5.289 -17.105 -10.684 70 HB THR 9 HB THR 9 4.168 -14.310 -10.286 71 HG1 THR 9 HG1 THR 9 2.998 -14.783 -12.315 72 1HG2 THR 9 1HG2 THR 9 6.241 -15.640 -11.921 73 2HG2 THR 9 2HG2 THR 9 5.097 -14.702 -12.910 74 3HG2 THR 9 3HG2 THR 9 6.004 -13.905 -11.603 75 H SER 10 H SER 10 6.568 -14.650 -9.780 76 HA SER 10 HA SER 10 7.388 -15.683 -7.241 77 1HB SER 10 1HB SER 10 8.395 -13.544 -9.129 78 2HB SER 10 2HB SER 10 8.983 -13.577 -7.478 79 HG SER 10 HG SER 10 9.014 -15.942 -9.130 80 H SER 11 H SER 11 8.064 -13.612 -5.643 81 HA SER 11 HA SER 11 5.496 -12.563 -4.951 82 1HB SER 11 1HB SER 11 7.057 -11.519 -3.046 83 2HB SER 11 2HB SER 11 6.567 -13.201 -3.007 84 HG SER 11 HG SER 11 8.819 -13.110 -2.677 85 H SER 12 H SER 12 8.446 -10.685 -4.311 86 HA SER 12 HA SER 12 9.160 -8.743 -4.985 87 1HB SER 12 1HB SER 12 8.681 -9.753 -7.342 88 2HB SER 12 2HB SER 12 7.250 -8.741 -7.348 89 HG SER 12 HG SER 12 9.290 -7.823 -8.321 90 H TYR 13 H TYR 13 6.236 -9.432 -3.769 91 HA TYR 13 HA TYR 13 5.326 -6.633 -3.829 92 1HB TYR 13 1HB TYR 13 3.083 -7.588 -3.667 93 2HB TYR 13 2HB TYR 13 3.905 -8.565 -4.868 94 HD1 TYR 13 HD1 TYR 13 2.335 -8.529 -1.591 95 HD2 TYR 13 HD2 TYR 13 4.757 -10.845 -4.251 96 HE1 TYR 13 HE1 TYR 13 1.819 -10.625 -0.248 97 HE2 TYR 13 HE2 TYR 13 4.232 -12.933 -2.900 98 HH TYR 13 HH TYR 13 3.365 -13.054 -0.038 99 H ARG 14 H ARG 14 5.612 -9.653 -1.849 100 HA ARG 14 HA ARG 14 5.226 -8.013 0.498 101 1HB ARG 14 1HB ARG 14 4.719 -10.808 -0.216 102 2HB ARG 14 2HB ARG 14 5.663 -10.728 1.257 103 1HG ARG 14 1HG ARG 14 3.253 -8.920 0.949 104 2HG ARG 14 2HG ARG 14 3.009 -10.607 1.357 105 1HD ARG 14 1HD ARG 14 5.136 -9.590 3.031 106 2HD ARG 14 2HD ARG 14 3.807 -8.450 3.099 107 HE ARG 14 HE ARG 14 3.784 -11.234 4.064 108 1HH1 ARG 14 2HH2 ARG 14 1.855 -8.421 3.198 109 2HH1 ARG 14 1HH2 ARG 14 0.477 -8.924 4.120 110 1HH2 ARG 14 2HH1 ARG 14 1.966 -11.898 5.279 111 2HH2 ARG 14 1HH1 ARG 14 0.541 -10.915 5.311 112 H HIS 15 H HIS 15 7.654 -9.807 -1.345 113 HA HIS 15 HA HIS 15 9.530 -10.307 0.595 114 1HB HIS 15 1HB HIS 15 9.488 -9.994 -2.340 115 2HB HIS 15 2HB HIS 15 11.049 -9.691 -1.604 116 HD1 HIS 15 HD1 HIS 15 11.296 -12.033 -3.238 117 HD2 HIS 15 HD2 HIS 15 9.554 -12.345 0.565 118 HE1 HIS 15 HE1 HIS 15 11.460 -14.492 -2.577 119 H ASP 16 H ASP 16 9.646 -7.492 -1.708 120 HA ASP 16 HA ASP 16 11.582 -6.085 -0.639 121 1HB ASP 16 1HB ASP 16 9.577 -4.121 -1.007 122 2HB ASP 16 2HB ASP 16 10.751 -4.659 -2.192 123 HD2 ASP 16 HD2 ASP 16 9.876 -5.353 -3.966 124 H GLU 17 H GLU 17 11.896 -4.616 1.155 125 HA GLU 17 HA GLU 17 10.092 -5.092 3.328 126 1HB GLU 17 1HB GLU 17 12.866 -4.049 2.987 127 2HB GLU 17 2HB GLU 17 11.972 -3.364 4.330 128 1HG GLU 17 1HG GLU 17 11.339 -5.978 4.715 129 2HG GLU 17 2HG GLU 17 12.870 -6.199 3.891 130 HE2 GLU 17 HE2 GLU 17 14.414 -6.404 5.451 131 H LYS 18 H LYS 18 11.779 -1.976 2.975 132 HA LYS 18 HA LYS 18 9.241 -0.633 3.289 133 1HB LYS 18 1HB LYS 18 12.132 0.114 3.557 134 2HB LYS 18 2HB LYS 18 10.957 1.385 3.284 135 1HG LYS 18 1HG LYS 18 9.655 -0.048 5.228 136 2HG LYS 18 2HG LYS 18 11.317 -0.391 5.666 137 1HD LYS 18 1HD LYS 18 10.662 2.471 5.029 138 2HD LYS 18 2HD LYS 18 9.994 1.828 6.517 139 1HE LYS 18 1HE LYS 18 12.007 2.063 7.534 140 2HE LYS 18 2HE LYS 18 12.726 0.949 6.388 141 1HZ LYS 18 1HZ LYS 18 12.927 3.761 6.489 142 2HZ LYS 18 2HZ LYS 18 13.836 2.691 5.655 143 3HZ LYS 18 3HZ LYS 18 12.451 3.266 5.007 144 H ARG 19 H ARG 19 10.535 -2.061 0.715 145 HA ARG 19 HA ARG 19 10.545 0.154 -1.074 146 1HB ARG 19 1HB ARG 19 11.056 -2.801 -1.236 147 2HB ARG 19 2HB ARG 19 10.519 -2.036 -2.718 148 1HG ARG 19 1HG ARG 19 12.442 -0.240 -1.768 149 2HG ARG 19 2HG ARG 19 13.112 -1.794 -1.312 150 1HD ARG 19 1HD ARG 19 12.208 -2.273 -3.914 151 2HD ARG 19 2HD ARG 19 12.769 -0.616 -4.009 152 HE ARG 19 HE ARG 19 14.644 -2.394 -2.624 153 1HH1 ARG 19 2HH2 ARG 19 13.636 -1.134 -5.751 154 2HH1 ARG 19 1HH2 ARG 19 15.163 -1.440 -6.510 155 1HH2 ARG 19 2HH1 ARG 19 16.658 -2.798 -3.625 156 2HH2 ARG 19 1HH1 ARG 19 16.893 -2.393 -5.292 157 H ASN 20 H ASN 20 8.180 -1.841 0.400 158 HA ASN 20 HA ASN 20 6.384 -1.590 -1.861 159 1HB ASN 20 1HB ASN 20 6.651 -3.808 -0.595 160 2HB ASN 20 2HB ASN 20 5.932 -3.032 0.802 161 1HD2 ASN 20 1HD2 ASN 20 4.036 -4.010 0.985 162 2HD2 ASN 20 2HD2 ASN 20 2.792 -4.070 -0.219 163 H ILE 21 H ILE 21 7.337 0.654 -0.015 164 HA ILE 21 HA ILE 21 4.976 1.240 1.558 165 HB ILE 21 HB ILE 21 6.267 3.163 2.329 166 1HG1 ILE 21 1HG1 ILE 21 8.778 3.117 1.631 167 2HG1 ILE 21 2HG1 ILE 21 8.209 2.264 0.210 168 1HG2 ILE 21 1HG2 ILE 21 7.208 0.364 2.544 169 2HG2 ILE 21 2HG2 ILE 21 8.342 1.617 3.101 170 3HG2 ILE 21 3HG2 ILE 21 6.710 1.517 3.805 171 1HD1 ILE 21 1HD1 ILE 21 7.665 4.262 -0.703 172 2HD1 ILE 21 2HD1 ILE 21 6.411 4.442 0.547 173 3HD1 ILE 21 3HD1 ILE 21 8.042 5.101 0.821 174 H TYR 22 H TYR 22 6.821 2.593 -1.251 175 HA TYR 22 HA TYR 22 5.346 4.797 -1.788 176 1HB TYR 22 1HB TYR 22 6.228 4.454 -4.048 177 2HB TYR 22 2HB TYR 22 7.388 3.697 -2.975 178 HD1 TYR 22 HD1 TYR 22 5.478 3.255 -5.895 179 HD2 TYR 22 HD2 TYR 22 6.926 1.111 -2.487 180 HE1 TYR 22 HE1 TYR 22 5.227 1.063 -7.158 181 HE2 TYR 22 HE2 TYR 22 6.670 -1.073 -3.763 182 HH TYR 22 HH TYR 22 5.936 -1.099 -7.164 183 H GLN 23 H GLN 23 4.510 1.374 -2.547 184 HA GLN 23 HA GLN 23 2.227 2.119 -4.029 185 1HB GLN 23 1HB GLN 23 3.706 -0.144 -3.891 186 2HB GLN 23 2HB GLN 23 2.426 -0.605 -2.786 187 1HG GLN 23 1HG GLN 23 0.887 -0.812 -4.464 188 2HG GLN 23 2HG GLN 23 1.383 0.684 -5.229 189 1HE2 GLN 23 1HE2 GLN 23 1.367 -2.654 -5.402 190 2HE2 GLN 23 2HE2 GLN 23 2.520 -2.908 -6.668 191 H LYS 24 H LYS 24 2.976 1.615 -0.624 192 HA LYS 24 HA LYS 24 0.351 1.049 0.239 193 1HB LYS 24 1HB LYS 24 2.706 0.772 1.396 194 2HB LYS 24 2HB LYS 24 2.389 2.391 1.986 195 1HG LYS 24 1HG LYS 24 0.081 1.517 2.755 196 2HG LYS 24 2HG LYS 24 0.675 -0.095 2.408 197 1HD LYS 24 1HD LYS 24 1.447 -0.059 4.559 198 2HD LYS 24 2HD LYS 24 2.763 0.901 3.911 199 1HE LYS 24 1HE LYS 24 0.292 2.446 4.566 200 2HE LYS 24 2HE LYS 24 1.097 1.726 5.947 201 1HZ LYS 24 1HZ LYS 24 3.006 2.910 5.522 202 2HZ LYS 24 2HZ LYS 24 2.639 3.206 3.958 203 3HZ LYS 24 3HZ LYS 24 1.848 3.999 5.147 204 H ILE 25 H ILE 25 2.305 4.090 0.651 205 HA ILE 25 HA ILE 25 0.274 5.700 1.465 206 HB ILE 25 HB ILE 25 2.491 6.558 -0.390 207 1HG1 ILE 25 1HG1 ILE 25 3.424 6.937 2.179 208 2HG1 ILE 25 2HG1 ILE 25 2.626 5.381 2.302 209 1HG2 ILE 25 1HG2 ILE 25 0.781 7.946 1.665 210 2HG2 ILE 25 2HG2 ILE 25 2.378 8.580 1.200 211 3HG2 ILE 25 3HG2 ILE 25 1.102 8.395 -0.027 212 1HD1 ILE 25 1HD1 ILE 25 5.090 6.121 0.844 213 2HD1 ILE 25 2HD1 ILE 25 4.555 4.530 1.437 214 3HD1 ILE 25 3HD1 ILE 25 3.961 5.143 -0.124 215 H ARG 26 H ARG 26 1.268 4.976 -1.944 216 HA ARG 26 HA ARG 26 -0.520 6.628 -3.156 217 1HB ARG 26 1HB ARG 26 1.050 4.223 -3.888 218 2HB ARG 26 2HB ARG 26 -0.409 4.388 -4.844 219 1HG ARG 26 1HG ARG 26 0.544 6.995 -4.841 220 2HG ARG 26 2HG ARG 26 2.038 6.079 -4.821 221 1HD ARG 26 1HD ARG 26 1.659 6.160 -7.120 222 2HD ARG 26 2HD ARG 26 0.841 4.657 -6.742 223 HE ARG 26 HE ARG 26 -1.101 6.654 -6.388 224 1HH1 ARG 26 2HH2 ARG 26 0.927 5.517 -9.030 225 2HH1 ARG 26 1HH2 ARG 26 -0.204 5.969 -10.262 226 1HH2 ARG 26 2HH1 ARG 26 -2.593 7.250 -8.013 227 2HH2 ARG 26 1HH1 ARG 26 -2.220 6.961 -9.679 228 H ASP 27 H ASP 27 -1.014 3.549 -1.495 229 HA ASP 27 HA ASP 27 -3.460 2.933 -2.737 230 1HB ASP 27 1HB ASP 27 -1.696 1.619 -1.063 231 2HB ASP 27 2HB ASP 27 -2.993 1.991 0.056 232 HD2 ASP 27 HD2 ASP 27 -5.351 0.229 -1.849 233 H HIS 28 H HIS 28 -2.389 5.171 -0.281 234 HA HIS 28 HA HIS 28 -5.074 5.380 0.838 235 1HB HIS 28 1HB HIS 28 -2.453 5.564 1.931 236 2HB HIS 28 2HB HIS 28 -3.177 7.154 2.066 237 HD1 HIS 28 HD1 HIS 28 -3.605 7.106 4.585 238 HD2 HIS 28 HD2 HIS 28 -5.305 3.852 2.556 239 HE1 HIS 28 HE1 HIS 28 -5.108 5.919 6.271 240 H ASP 29 H ASP 29 -3.308 6.553 -1.739 241 HA ASP 29 HA ASP 29 -4.306 9.253 -1.442 242 1HB ASP 29 1HB ASP 29 -1.918 8.352 -2.384 243 2HB ASP 29 2HB ASP 29 -2.812 8.351 -3.891 244 HD2 ASP 29 HD2 ASP 29 -3.281 10.384 -4.773 245 H LEU 30 H LEU 30 -4.662 6.200 -3.254 246 HA LEU 30 HA LEU 30 -6.034 7.080 -5.478 247 1HB LEU 30 1HB LEU 30 -6.169 4.510 -3.907 248 2HB LEU 30 2HB LEU 30 -7.040 4.753 -5.408 249 HG LEU 30 HG LEU 30 -4.057 5.167 -5.269 250 1HD1 LEU 30 1HD1 LEU 30 -3.646 3.013 -4.950 251 2HD1 LEU 30 2HD1 LEU 30 -5.388 2.701 -4.760 252 3HD1 LEU 30 3HD1 LEU 30 -4.637 2.602 -6.371 253 1HD2 LEU 30 1HD2 LEU 30 -5.020 6.025 -7.261 254 2HD2 LEU 30 2HD2 LEU 30 -4.258 4.474 -7.687 255 3HD2 LEU 30 3HD2 LEU 30 -6.024 4.573 -7.488 256 H LEU 31 H LEU 31 -6.949 7.125 -2.122 257 HA LEU 31 HA LEU 31 -9.776 7.286 -2.787 258 1HB LEU 31 1HB LEU 31 -8.521 7.502 -0.060 259 2HB LEU 31 2HB LEU 31 -10.182 7.117 -0.466 260 HG LEU 31 HG LEU 31 -8.398 5.181 -1.669 261 1HD1 LEU 31 1HD1 LEU 31 -7.701 6.053 1.041 262 2HD1 LEU 31 2HD1 LEU 31 -8.028 4.308 0.912 263 3HD1 LEU 31 3HD1 LEU 31 -6.790 5.061 -0.122 264 1HD2 LEU 31 1HD2 LEU 31 -10.208 4.455 0.575 265 2HD2 LEU 31 2HD2 LEU 31 -10.950 5.206 -0.859 266 3HD2 LEU 31 3HD2 LEU 31 -9.999 3.711 -1.029 267 H ASP 32 H ASP 32 -7.885 9.302 -3.816 268 HA ASP 32 HA ASP 32 -7.616 11.542 -2.417 269 1HB ASP 32 1HB ASP 32 -8.790 11.779 -5.192 270 2HB ASP 32 2HB ASP 32 -7.471 12.687 -4.480 271 HD2 ASP 32 HD2 ASP 32 -5.450 11.604 -4.386 272 H LYS 33 H LYS 33 -10.546 10.580 -4.365 273 HA LYS 33 HA LYS 33 -12.159 12.696 -3.980 274 1HB LYS 33 1HB LYS 33 -12.523 9.820 -4.456 275 2HB LYS 33 2HB LYS 33 -13.903 10.574 -3.683 276 1HG LYS 33 1HG LYS 33 -13.525 12.471 -5.518 277 2HG LYS 33 2HG LYS 33 -12.655 11.209 -6.367 278 1HD LYS 33 1HD LYS 33 -14.571 10.092 -6.915 279 2HD LYS 33 2HD LYS 33 -15.232 10.248 -5.299 280 1HE LYS 33 1HE LYS 33 -16.573 11.958 -5.952 281 2HE LYS 33 2HE LYS 33 -15.198 12.871 -6.541 282 1HZ LYS 33 1HZ LYS 33 -16.806 10.914 -8.003 283 2HZ LYS 33 2HZ LYS 33 -16.514 12.474 -8.385 284 3HZ LYS 33 3HZ LYS 33 -15.329 11.361 -8.535 285 H ARG 34 H ARG 34 -11.116 10.316 -1.559 286 HA ARG 34 HA ARG 34 -12.958 11.503 0.328 287 1HB ARG 34 1HB ARG 34 -11.060 9.271 1.073 288 2HB ARG 34 2HB ARG 34 -12.693 9.560 1.639 289 1HG ARG 34 1HG ARG 34 -13.572 8.937 -0.636 290 2HG ARG 34 2HG ARG 34 -11.934 8.600 -1.161 291 1HD ARG 34 1HD ARG 34 -12.739 6.463 -0.528 292 2HD ARG 34 2HD ARG 34 -11.815 6.962 0.875 293 HE ARG 34 HE ARG 34 -14.360 7.921 1.419 294 1HH1 ARG 34 2HH2 ARG 34 -13.065 4.762 0.568 295 2HH1 ARG 34 1HH2 ARG 34 -14.289 3.887 1.426 296 1HH2 ARG 34 2HH1 ARG 34 -15.975 6.768 2.551 297 2HH2 ARG 34 1HH1 ARG 34 -15.956 5.036 2.562 298 H LYS 35 H LYS 35 -9.539 11.277 -0.578 299 HA LYS 35 HA LYS 35 -8.421 12.086 1.861 300 1HB LYS 35 1HB LYS 35 -7.345 11.044 -0.270 301 2HB LYS 35 2HB LYS 35 -7.214 12.698 -0.831 302 1HG LYS 35 1HG LYS 35 -5.502 13.164 0.601 303 2HG LYS 35 2HG LYS 35 -6.334 12.442 1.964 304 1HD LYS 35 1HD LYS 35 -5.713 10.159 0.658 305 2HD LYS 35 2HD LYS 35 -4.438 11.166 0.001 306 1HE LYS 35 1HE LYS 35 -3.658 11.739 2.277 307 2HE LYS 35 2HE LYS 35 -4.994 10.857 2.990 308 1HZ LYS 35 1HZ LYS 35 -4.026 8.901 2.538 309 2HZ LYS 35 2HZ LYS 35 -3.345 9.389 1.136 310 3HZ LYS 35 3HZ LYS 35 -2.650 9.780 2.561 311 H THR 36 H THR 36 -6.950 14.326 1.613 312 HA THR 36 HA THR 36 -8.272 16.520 0.449 313 HB THR 36 HB THR 36 -9.725 15.605 2.576 314 HG1 THR 36 HG1 THR 36 -10.648 17.486 1.868 315 1HG2 THR 36 1HG2 THR 36 -8.341 17.949 3.836 316 2HG2 THR 36 2HG2 THR 36 -9.123 16.551 4.610 317 3HG2 THR 36 3HG2 THR 36 -7.481 16.394 3.942 318 H VAL 37 H VAL 37 -7.507 18.569 2.191 319 HA VAL 37 HA VAL 37 -5.714 19.828 2.528 320 HB VAL 37 HB VAL 37 -5.780 18.233 4.493 321 1HG1 VAL 37 1HG1 VAL 37 -3.565 16.817 4.547 322 2HG1 VAL 37 2HG1 VAL 37 -5.030 16.167 3.773 323 3HG1 VAL 37 3HG1 VAL 37 -3.731 16.862 2.775 324 1HG2 VAL 37 1HG2 VAL 37 -4.147 19.448 5.478 325 2HG2 VAL 37 2HG2 VAL 37 -2.937 19.023 4.243 326 3HG2 VAL 37 3HG2 VAL 37 -4.122 20.313 3.922 327 H THR 38 H THR 38 -3.083 19.816 2.308 328 HA THR 38 HA THR 38 -2.540 18.509 -0.278 329 HB THR 38 HB THR 38 -2.872 21.204 0.117 330 HG1 THR 38 HG1 THR 38 -2.458 20.556 -1.979 331 1HG2 THR 38 1HG2 THR 38 0.118 21.010 -0.081 332 2HG2 THR 38 2HG2 THR 38 -0.887 22.324 0.576 333 3HG2 THR 38 3HG2 THR 38 -0.568 20.873 1.556 334 H ALA 39 H ALA 39 0.168 19.115 -0.482 335 HA ALA 39 HA ALA 39 1.272 17.052 1.014 336 1HB ALA 39 1HB ALA 39 2.063 18.964 -0.997 337 2HB ALA 39 2HB ALA 39 3.324 18.874 0.255 338 3HB ALA 39 3HB ALA 39 2.804 17.397 -0.591 339 H LEU 40 H LEU 40 3.316 17.437 2.479 340 HA LEU 40 HA LEU 40 2.610 19.556 4.390 341 1HB LEU 40 1HB LEU 40 3.561 16.734 4.865 342 2HB LEU 40 2HB LEU 40 3.619 17.979 6.097 343 HG LEU 40 HG LEU 40 0.979 17.686 4.819 344 1HD1 LEU 40 1HD1 LEU 40 0.911 15.582 6.641 345 2HD1 LEU 40 2HD1 LEU 40 0.838 15.467 4.866 346 3HD1 LEU 40 3HD1 LEU 40 2.400 15.310 5.704 347 1HD2 LEU 40 1HD2 LEU 40 1.172 17.327 7.707 348 2HD2 LEU 40 2HD2 LEU 40 2.012 18.790 7.139 349 3HD2 LEU 40 3HD2 LEU 40 0.291 18.546 6.755 350 H LYS 41 H LYS 41 4.016 21.087 3.405 351 HA LYS 41 HA LYS 41 6.702 20.439 2.815 352 1HB LYS 41 1HB LYS 41 4.921 22.729 2.614 353 2HB LYS 41 2HB LYS 41 6.508 23.215 3.175 354 1HG LYS 41 1HG LYS 41 6.605 21.227 0.976 355 2HG LYS 41 2HG LYS 41 5.812 22.722 0.520 356 1HD LYS 41 1HD LYS 41 7.860 23.926 1.608 357 2HD LYS 41 2HD LYS 41 8.641 22.358 1.581 358 1HE LYS 41 1HE LYS 41 8.986 22.435 -0.680 359 2HE LYS 41 2HE LYS 41 7.364 23.015 -1.002 360 1HZ LYS 41 1HZ LYS 41 8.312 24.956 -1.373 361 2HZ LYS 41 2HZ LYS 41 8.611 25.090 0.227 362 3HZ LYS 41 3HZ LYS 41 9.756 24.489 -0.771 363 H ALA 42 H ALA 42 8.504 21.945 3.910 364 HA ALA 42 HA ALA 42 9.806 22.140 5.692 365 1HB ALA 42 1HB ALA 42 7.730 22.739 7.664 366 2HB ALA 42 2HB ALA 42 9.009 23.788 7.005 367 3HB ALA 42 3HB ALA 42 7.466 23.611 6.135 368 H GLY 43 H GLY 43 9.995 21.450 8.215 369 1HA GLY 43 1HA GLY 43 8.559 19.250 9.156 370 2HA GLY 43 2HA GLY 43 9.903 18.630 8.219 371 H GLU 44 H GLU 44 12.096 19.985 8.685 372 HA GLU 44 HA GLU 44 12.206 20.483 11.547 373 1HB GLU 44 1HB GLU 44 13.301 18.196 10.245 374 2HB GLU 44 2HB GLU 44 14.665 19.227 10.631 375 1HG GLU 44 1HG GLU 44 12.503 18.451 12.644 376 2HG GLU 44 2HG GLU 44 14.026 17.601 12.475 377 HE2 GLU 44 HE2 GLU 44 13.184 20.588 14.492 378 H ASP 45 H ASP 45 14.220 20.490 8.511 379 HA ASP 45 HA ASP 45 14.773 23.275 9.056 380 1HB ASP 45 1HB ASP 45 17.188 22.956 8.597 381 2HB ASP 45 2HB ASP 45 16.689 22.049 10.011 382 HD2 ASP 45 HD2 ASP 45 18.053 19.287 8.964 Start of MODEL 12 1 H MET 1 H MET 1 20.693 -22.515 -3.351 2 HA MET 1 HA MET 1 21.186 -23.431 -0.850 3 1HB MET 1 1HB MET 1 21.329 -25.557 -2.876 4 2HB MET 1 2HB MET 1 22.901 -25.332 -2.135 5 1HG MET 1 1HG MET 1 21.400 -25.290 0.124 6 2HG MET 1 2HG MET 1 20.320 -26.240 -0.878 7 1HE MET 1 1HE MET 1 23.749 -25.519 0.112 8 2HE MET 1 2HE MET 1 23.909 -26.867 1.263 9 3HE MET 1 3HE MET 1 24.722 -26.946 -0.319 10 H PHE 2 H PHE 2 22.433 -21.585 -0.592 11 HA PHE 2 HA PHE 2 24.135 -20.196 -0.779 12 1HB PHE 2 1HB PHE 2 25.600 -22.003 -0.188 13 2HB PHE 2 2HB PHE 2 25.232 -22.898 -1.650 14 HD1 PHE 2 HD1 PHE 2 27.059 -19.930 -0.384 15 HD2 PHE 2 HD2 PHE 2 26.619 -22.731 -3.541 16 HE1 PHE 2 HE1 PHE 2 29.168 -19.071 -1.440 17 HE2 PHE 2 HE2 PHE 2 28.728 -21.872 -4.597 18 HZ PHE 2 HZ PHE 2 29.977 -20.053 -3.534 19 H ILE 3 H ILE 3 25.588 -18.960 -2.295 20 HA ILE 3 HA ILE 3 24.819 -19.382 -5.092 21 HB ILE 3 HB ILE 3 23.522 -17.557 -3.798 22 1HG1 ILE 3 1HG1 ILE 3 23.419 -16.169 -5.817 23 2HG1 ILE 3 2HG1 ILE 3 24.891 -16.901 -6.424 24 1HG2 ILE 3 1HG2 ILE 3 25.648 -16.611 -2.795 25 2HG2 ILE 3 2HG2 ILE 3 26.003 -15.943 -4.406 26 3HG2 ILE 3 3HG2 ILE 3 24.534 -15.438 -3.537 27 1HD1 ILE 3 1HD1 ILE 3 22.633 -18.735 -5.631 28 2HD1 ILE 3 2HD1 ILE 3 22.493 -17.824 -7.154 29 3HD1 ILE 3 3HD1 ILE 3 23.860 -18.936 -6.905 30 H TRP 4 H TRP 4 26.434 -18.896 -6.625 31 HA TRP 4 HA TRP 4 29.079 -18.513 -5.411 32 1HB TRP 4 1HB TRP 4 29.980 -19.634 -7.346 33 2HB TRP 4 2HB TRP 4 28.784 -20.638 -6.551 34 HD1 TRP 4 HD1 TRP 4 26.699 -21.399 -8.026 35 HE1 TRP 4 HE1 TRP 4 25.916 -21.121 -10.531 36 HE3 TRP 4 HE3 TRP 4 30.098 -17.819 -9.242 37 HZ2 TRP 4 HZ2 TRP 4 26.786 -19.472 -12.691 38 HZ3 TRP 4 HZ3 TRP 4 30.064 -16.928 -11.571 39 HH2 TRP 4 HH2 TRP 4 28.482 -17.697 -13.268 40 H THR 5 H THR 5 26.568 -17.182 -7.457 41 HA THR 5 HA THR 5 27.789 -15.659 -9.296 42 HB THR 5 HB THR 5 25.893 -14.061 -8.903 43 HG1 THR 5 HG1 THR 5 24.748 -14.345 -6.904 44 1HG2 THR 5 1HG2 THR 5 24.241 -16.270 -8.204 45 2HG2 THR 5 2HG2 THR 5 24.588 -15.684 -9.848 46 3HG2 THR 5 3HG2 THR 5 25.592 -16.967 -9.130 47 H SER 6 H SER 6 26.854 -13.721 -6.463 48 HA SER 6 HA SER 6 29.636 -12.970 -6.155 49 1HB SER 6 1HB SER 6 27.358 -11.162 -6.966 50 2HB SER 6 2HB SER 6 28.624 -10.510 -5.945 51 HG SER 6 HG SER 6 30.130 -10.764 -7.545 52 H GLY 7 H GLY 7 28.483 -14.653 -4.386 53 1HA GLY 7 1HA GLY 7 28.126 -14.904 -2.178 54 2HA GLY 7 2HA GLY 7 28.486 -13.203 -1.954 55 H ARG 8 H ARG 8 26.629 -11.677 -2.962 56 HA ARG 8 HA ARG 8 24.124 -12.852 -2.052 57 1HB ARG 8 1HB ARG 8 25.438 -10.221 -1.487 58 2HB ARG 8 2HB ARG 8 23.713 -10.138 -1.788 59 1HG ARG 8 1HG ARG 8 24.041 -12.373 -0.071 60 2HG ARG 8 2HG ARG 8 25.132 -11.158 0.565 61 1HD ARG 8 1HD ARG 8 22.972 -9.567 0.138 62 2HD ARG 8 2HD ARG 8 22.131 -11.090 0.344 63 HE ARG 8 HE ARG 8 22.576 -10.933 2.623 64 1HH1 ARG 8 2HH2 ARG 8 25.075 -9.168 0.885 65 2HH1 ARG 8 1HH2 ARG 8 25.878 -8.634 2.325 66 1HH2 ARG 8 2HH1 ARG 8 23.634 -10.230 4.522 67 2HH2 ARG 8 1HH1 ARG 8 25.052 -9.243 4.407 68 H THR 9 H THR 9 22.156 -12.139 -3.201 69 HA THR 9 HA THR 9 22.779 -11.171 -5.910 70 HB THR 9 HB THR 9 20.422 -12.333 -6.269 71 HG1 THR 9 HG1 THR 9 20.036 -12.634 -3.977 72 1HG2 THR 9 1HG2 THR 9 23.115 -13.354 -6.314 73 2HG2 THR 9 2HG2 THR 9 22.087 -14.598 -5.564 74 3HG2 THR 9 3HG2 THR 9 21.700 -13.986 -7.189 75 H SER 10 H SER 10 20.209 -10.466 -6.726 76 HA SER 10 HA SER 10 20.075 -7.923 -5.482 77 1HB SER 10 1HB SER 10 19.217 -9.139 -7.952 78 2HB SER 10 2HB SER 10 17.820 -8.382 -7.214 79 HG SER 10 HG SER 10 18.651 -6.639 -8.193 80 H SER 11 H SER 11 18.938 -10.930 -4.569 81 HA SER 11 HA SER 11 16.384 -10.924 -4.048 82 1HB SER 11 1HB SER 11 16.826 -12.173 -2.000 83 2HB SER 11 2HB SER 11 18.036 -12.592 -3.195 84 HG SER 11 HG SER 11 18.676 -11.988 -0.835 85 H SER 12 H SER 12 18.779 -8.756 -2.504 86 HA SER 12 HA SER 12 16.988 -7.793 -0.560 87 1HB SER 12 1HB SER 12 19.693 -6.967 -1.614 88 2HB SER 12 2HB SER 12 18.806 -5.835 -0.613 89 HG SER 12 HG SER 12 19.533 -6.939 1.061 90 H TYR 13 H TYR 13 15.379 -7.698 -2.690 91 HA TYR 13 HA TYR 13 15.365 -4.857 -3.450 92 1HB TYR 13 1HB TYR 13 14.695 -5.594 -5.672 93 2HB TYR 13 2HB TYR 13 16.001 -6.676 -5.231 94 HD1 TYR 13 HD1 TYR 13 12.462 -6.405 -6.015 95 HD2 TYR 13 HD2 TYR 13 15.486 -9.013 -4.477 96 HE1 TYR 13 HE1 TYR 13 10.944 -8.407 -6.405 97 HE2 TYR 13 HE2 TYR 13 13.958 -11.006 -4.873 98 HH TYR 13 HH TYR 13 12.123 -11.687 -5.906 99 H ARG 14 H ARG 14 13.442 -7.891 -2.985 100 HA ARG 14 HA ARG 14 11.101 -6.229 -2.678 101 1HB ARG 14 1HB ARG 14 11.636 -8.991 -3.522 102 2HB ARG 14 2HB ARG 14 10.394 -8.955 -2.287 103 1HG ARG 14 1HG ARG 14 9.104 -7.281 -3.601 104 2HG ARG 14 2HG ARG 14 10.362 -7.247 -4.821 105 1HD ARG 14 1HD ARG 14 9.078 -8.853 -5.846 106 2HD ARG 14 2HD ARG 14 9.878 -9.946 -4.735 107 HE ARG 14 HE ARG 14 7.695 -8.934 -3.297 108 1HH1 ARG 14 2HH2 ARG 14 8.143 -10.712 -6.300 109 2HH1 ARG 14 1HH2 ARG 14 6.612 -11.515 -6.202 110 1HH2 ARG 14 2HH1 ARG 14 5.675 -9.993 -3.167 111 2HH2 ARG 14 1HH1 ARG 14 5.198 -11.104 -4.408 112 H HIS 15 H HIS 15 13.413 -8.229 -0.889 113 HA HIS 15 HA HIS 15 12.003 -8.922 1.329 114 1HB HIS 15 1HB HIS 15 14.882 -8.044 1.023 115 2HB HIS 15 2HB HIS 15 14.239 -8.690 2.520 116 HD1 HIS 15 HD1 HIS 15 16.352 -10.424 1.655 117 HD2 HIS 15 HD2 HIS 15 12.562 -10.746 -0.113 118 HE1 HIS 15 HE1 HIS 15 16.247 -12.748 0.606 119 H ASP 16 H ASP 16 14.024 -5.907 1.028 120 HA ASP 16 HA ASP 16 13.479 -4.688 3.271 121 1HB ASP 16 1HB ASP 16 12.929 -2.737 1.198 122 2HB ASP 16 2HB ASP 16 14.376 -2.920 2.169 123 HD2 ASP 16 HD2 ASP 16 16.128 -4.084 1.136 124 H GLU 17 H GLU 17 11.688 -3.741 4.341 125 HA GLU 17 HA GLU 17 9.141 -4.222 3.118 126 1HB GLU 17 1HB GLU 17 10.191 -3.964 5.817 127 2HB GLU 17 2HB GLU 17 8.817 -2.893 5.620 128 1HG GLU 17 1HG GLU 17 7.865 -5.157 4.372 129 2HG GLU 17 2HG GLU 17 8.919 -5.877 5.573 130 HE2 GLU 17 HE2 GLU 17 6.403 -5.548 7.857 131 H LYS 18 H LYS 18 11.360 -1.552 3.755 132 HA LYS 18 HA LYS 18 9.339 0.462 3.396 133 1HB LYS 18 1HB LYS 18 12.324 0.483 3.828 134 2HB LYS 18 2HB LYS 18 11.465 1.941 3.375 135 1HG LYS 18 1HG LYS 18 9.851 1.407 5.345 136 2HG LYS 18 2HG LYS 18 11.046 0.234 5.861 137 1HD LYS 18 1HD LYS 18 12.671 2.405 5.466 138 2HD LYS 18 2HD LYS 18 11.181 3.224 5.893 139 1HE LYS 18 1HE LYS 18 11.093 1.475 7.883 140 2HE LYS 18 2HE LYS 18 12.800 1.267 7.550 141 1HZ LYS 18 1HZ LYS 18 13.196 3.158 8.572 142 2HZ LYS 18 2HZ LYS 18 12.185 3.992 7.598 143 3HZ LYS 18 3HZ LYS 18 11.617 3.300 8.963 144 H ARG 19 H ARG 19 10.519 -1.766 1.330 145 HA ARG 19 HA ARG 19 10.948 0.130 -0.816 146 1HB ARG 19 1HB ARG 19 11.671 -2.753 -0.335 147 2HB ARG 19 2HB ARG 19 11.382 -2.287 -1.999 148 1HG ARG 19 1HG ARG 19 12.999 -0.219 -0.855 149 2HG ARG 19 2HG ARG 19 13.700 -1.737 -0.332 150 1HD ARG 19 1HD ARG 19 14.728 -1.742 -2.377 151 2HD ARG 19 2HD ARG 19 13.183 -2.297 -2.989 152 HE ARG 19 HE ARG 19 12.818 0.411 -3.009 153 1HH1 ARG 19 2HH2 ARG 19 15.459 -1.596 -4.182 154 2HH1 ARG 19 1HH2 ARG 19 15.902 -0.498 -5.446 155 1HH2 ARG 19 2HH1 ARG 19 13.402 1.861 -4.677 156 2HH2 ARG 19 1HH1 ARG 19 14.724 1.481 -5.730 157 H ASN 20 H ASN 20 8.513 -1.778 0.647 158 HA ASN 20 HA ASN 20 7.022 -1.798 -1.859 159 1HB ASN 20 1HB ASN 20 7.492 -4.104 -0.996 160 2HB ASN 20 2HB ASN 20 6.763 -3.685 0.541 161 1HD2 ASN 20 1HD2 ASN 20 4.925 -4.714 0.715 162 2HD2 ASN 20 2HD2 ASN 20 3.665 -4.817 -0.469 163 H ILE 21 H ILE 21 7.241 0.459 -0.029 164 HA ILE 21 HA ILE 21 4.633 0.389 1.316 165 HB ILE 21 HB ILE 21 5.809 2.558 2.353 166 1HG1 ILE 21 1HG1 ILE 21 8.187 1.999 2.856 167 2HG1 ILE 21 2HG1 ILE 21 8.103 0.686 1.698 168 1HG2 ILE 21 1HG2 ILE 21 4.944 1.095 3.882 169 2HG2 ILE 21 2HG2 ILE 21 5.750 -0.319 3.162 170 3HG2 ILE 21 3HG2 ILE 21 6.684 0.829 4.151 171 1HD1 ILE 21 1HD1 ILE 21 8.279 2.094 -0.086 172 2HD1 ILE 21 2HD1 ILE 21 7.104 3.243 0.598 173 3HD1 ILE 21 3HD1 ILE 21 8.810 3.307 1.103 174 H TYR 22 H TYR 22 6.675 1.933 -1.134 175 HA TYR 22 HA TYR 22 5.369 4.316 -1.496 176 1HB TYR 22 1HB TYR 22 6.398 4.144 -3.724 177 2HB TYR 22 2HB TYR 22 7.458 3.277 -2.630 178 HD1 TYR 22 HD1 TYR 22 5.331 3.039 -5.548 179 HD2 TYR 22 HD2 TYR 22 7.360 0.748 -2.558 180 HE1 TYR 22 HE1 TYR 22 5.145 0.962 -7.003 181 HE2 TYR 22 HE2 TYR 22 7.167 -1.321 -4.023 182 HH TYR 22 HH TYR 22 5.850 -2.163 -5.780 183 H GLN 23 H GLN 23 4.509 1.041 -2.761 184 HA GLN 23 HA GLN 23 2.375 2.029 -4.298 185 1HB GLN 23 1HB GLN 23 3.751 -0.298 -4.285 186 2HB GLN 23 2HB GLN 23 2.376 -0.814 -3.329 187 1HG GLN 23 1HG GLN 23 0.961 -0.785 -5.125 188 2HG GLN 23 2HG GLN 23 1.568 0.756 -5.697 189 1HE2 GLN 23 1HE2 GLN 23 1.889 -2.699 -5.782 190 2HE2 GLN 23 2HE2 GLN 23 2.971 -2.825 -7.129 191 H LYS 24 H LYS 24 2.821 1.694 -0.935 192 HA LYS 24 HA LYS 24 0.090 0.994 -0.337 193 1HB LYS 24 1HB LYS 24 2.439 0.621 0.980 194 2HB LYS 24 2HB LYS 24 1.864 2.067 1.784 195 1HG LYS 24 1HG LYS 24 -0.324 0.951 2.243 196 2HG LYS 24 2HG LYS 24 0.234 -0.492 1.420 197 1HD LYS 24 1HD LYS 24 2.293 -0.099 3.216 198 2HD LYS 24 2HD LYS 24 0.940 0.540 4.129 199 1HE LYS 24 1HE LYS 24 -0.250 -1.720 3.263 200 2HE LYS 24 2HE LYS 24 1.409 -2.272 3.142 201 1HZ LYS 24 1HZ LYS 24 0.788 -0.900 5.578 202 2HZ LYS 24 2HZ LYS 24 -0.015 -2.308 5.376 203 3HZ LYS 24 3HZ LYS 24 1.618 -2.287 5.344 204 H ILE 25 H ILE 25 2.203 3.862 0.410 205 HA ILE 25 HA ILE 25 0.244 5.544 1.251 206 HB ILE 25 HB ILE 25 2.581 6.383 -0.458 207 1HG1 ILE 25 1HG1 ILE 25 3.431 6.509 2.169 208 2HG1 ILE 25 2HG1 ILE 25 2.549 4.995 2.131 209 1HG2 ILE 25 1HG2 ILE 25 2.123 8.459 0.185 210 2HG2 ILE 25 2HG2 ILE 25 0.583 7.851 0.839 211 3HG2 ILE 25 3HG2 ILE 25 2.012 7.974 1.894 212 1HD1 ILE 25 1HD1 ILE 25 5.040 5.784 0.661 213 2HD1 ILE 25 2HD1 ILE 25 4.589 4.217 1.375 214 3HD1 ILE 25 3HD1 ILE 25 3.907 4.710 -0.194 215 H ARG 26 H ARG 26 1.350 5.011 -2.160 216 HA ARG 26 HA ARG 26 -0.280 6.841 -3.325 217 1HB ARG 26 1HB ARG 26 1.166 4.394 -4.155 218 2HB ARG 26 2HB ARG 26 -0.244 4.702 -5.149 219 1HG ARG 26 1HG ARG 26 0.859 7.243 -4.949 220 2HG ARG 26 2HG ARG 26 2.294 6.237 -4.942 221 1HD ARG 26 1HD ARG 26 2.004 6.475 -7.241 222 2HD ARG 26 2HD ARG 26 1.073 5.013 -6.985 223 HE ARG 26 HE ARG 26 -0.754 7.091 -6.569 224 1HH1 ARG 26 2HH2 ARG 26 1.335 6.066 -9.208 225 2HH1 ARG 26 1HH2 ARG 26 0.294 6.689 -10.444 226 1HH2 ARG 26 2HH1 ARG 26 -2.128 7.913 -8.199 227 2HH2 ARG 26 1HH1 ARG 26 -1.689 7.747 -9.866 228 H ASP 27 H ASP 27 -1.050 3.711 -1.883 229 HA ASP 27 HA ASP 27 -3.479 3.350 -3.260 230 1HB ASP 27 1HB ASP 27 -1.873 1.808 -1.613 231 2HB ASP 27 2HB ASP 27 -3.201 2.180 -0.531 232 HD2 ASP 27 HD2 ASP 27 -4.831 0.079 -0.945 233 H HIS 28 H HIS 28 -2.359 5.346 -0.630 234 HA HIS 28 HA HIS 28 -4.908 5.522 0.676 235 1HB HIS 28 1HB HIS 28 -2.252 5.994 1.394 236 2HB HIS 28 2HB HIS 28 -2.961 7.596 1.332 237 HD1 HIS 28 HD1 HIS 28 -3.089 8.017 3.845 238 HD2 HIS 28 HD2 HIS 28 -4.978 4.461 2.670 239 HE1 HIS 28 HE1 HIS 28 -4.361 7.173 5.890 240 H ASP 29 H ASP 29 -2.909 7.416 -1.632 241 HA ASP 29 HA ASP 29 -4.426 9.711 -1.578 242 1HB ASP 29 1HB ASP 29 -2.166 8.888 -2.878 243 2HB ASP 29 2HB ASP 29 -3.302 8.805 -4.209 244 HD2 ASP 29 HD2 ASP 29 -3.395 11.695 -1.892 245 H LEU 30 H LEU 30 -4.887 6.531 -3.095 246 HA LEU 30 HA LEU 30 -6.706 7.266 -5.089 247 1HB LEU 30 1HB LEU 30 -6.259 4.683 -3.594 248 2HB LEU 30 2HB LEU 30 -7.368 4.843 -4.942 249 HG LEU 30 HG LEU 30 -4.385 5.367 -5.069 250 1HD1 LEU 30 1HD1 LEU 30 -4.976 3.211 -6.713 251 2HD1 LEU 30 2HD1 LEU 30 -4.180 3.151 -5.122 252 3HD1 LEU 30 3HD1 LEU 30 -5.939 2.910 -5.247 253 1HD2 LEU 30 1HD2 LEU 30 -6.606 5.825 -6.965 254 2HD2 LEU 30 2HD2 LEU 30 -5.009 6.602 -6.844 255 3HD2 LEU 30 3HD2 LEU 30 -5.170 5.017 -7.638 256 H LEU 31 H LEU 31 -6.930 7.390 -1.668 257 HA LEU 31 HA LEU 31 -9.797 6.972 -1.646 258 1HB LEU 31 1HB LEU 31 -7.870 7.709 0.561 259 2HB LEU 31 2HB LEU 31 -9.571 7.342 0.769 260 HG LEU 31 HG LEU 31 -7.988 5.249 -0.608 261 1HD1 LEU 31 1HD1 LEU 31 -6.598 6.342 1.376 262 2HD1 LEU 31 2HD1 LEU 31 -7.656 5.299 2.355 263 3HD1 LEU 31 3HD1 LEU 31 -6.626 4.585 1.092 264 1HD2 LEU 31 1HD2 LEU 31 -9.576 4.590 1.777 265 2HD2 LEU 31 2HD2 LEU 31 -10.490 5.411 0.489 266 3HD2 LEU 31 3HD2 LEU 31 -9.614 3.902 0.136 267 H ASP 32 H ASP 32 -9.298 9.266 0.660 268 HA ASP 32 HA ASP 32 -9.370 11.530 -1.095 269 1HB ASP 32 1HB ASP 32 -11.791 10.320 -0.319 270 2HB ASP 32 2HB ASP 32 -11.611 11.637 0.822 271 HD2 ASP 32 HD2 ASP 32 -13.575 11.523 -1.450 272 H LYS 33 H LYS 33 -9.885 10.136 2.214 273 HA LYS 33 HA LYS 33 -9.619 12.244 3.830 274 1HB LYS 33 1HB LYS 33 -8.945 9.392 3.979 275 2HB LYS 33 2HB LYS 33 -7.993 10.378 5.071 276 1HG LYS 33 1HG LYS 33 -10.338 11.513 5.631 277 2HG LYS 33 2HG LYS 33 -10.998 10.032 4.967 278 1HD LYS 33 1HD LYS 33 -10.425 8.827 6.813 279 2HD LYS 33 2HD LYS 33 -8.789 9.457 6.812 280 1HE LYS 33 1HE LYS 33 -10.984 11.330 7.681 281 2HE LYS 33 2HE LYS 33 -10.555 10.033 8.779 282 1HZ LYS 33 1HZ LYS 33 -9.284 12.259 8.822 283 2HZ LYS 33 2HZ LYS 33 -8.471 10.861 9.048 284 3HZ LYS 33 3HZ LYS 33 -8.419 11.610 7.598 285 H ARG 34 H ARG 34 -7.116 10.884 1.712 286 HA ARG 34 HA ARG 34 -4.941 12.059 2.932 287 1HB ARG 34 1HB ARG 34 -5.581 10.993 0.192 288 2HB ARG 34 2HB ARG 34 -4.163 12.015 0.314 289 1HG ARG 34 1HG ARG 34 -4.260 10.069 2.514 290 2HG ARG 34 2HG ARG 34 -4.324 9.268 0.958 291 1HD ARG 34 1HD ARG 34 -2.330 11.451 1.015 292 2HD ARG 34 2HD ARG 34 -2.007 10.220 2.220 293 HE ARG 34 HE ARG 34 -2.628 8.847 -0.176 294 1HH1 ARG 34 2HH2 ARG 34 -0.153 11.056 0.998 295 2HH1 ARG 34 1HH2 ARG 34 1.076 10.441 -0.056 296 1HH2 ARG 34 2HH1 ARG 34 -1.006 8.036 -1.567 297 2HH2 ARG 34 1HH1 ARG 34 0.588 8.711 -1.524 298 H LYS 35 H LYS 35 -5.588 13.110 -0.410 299 HA LYS 35 HA LYS 35 -4.723 15.633 -0.197 300 1HB LYS 35 1HB LYS 35 -5.869 14.148 -2.157 301 2HB LYS 35 2HB LYS 35 -7.150 15.310 -1.875 302 1HG LYS 35 1HG LYS 35 -5.791 17.159 -2.456 303 2HG LYS 35 2HG LYS 35 -4.300 16.301 -2.123 304 1HD LYS 35 1HD LYS 35 -5.237 14.717 -4.120 305 2HD LYS 35 2HD LYS 35 -6.044 16.206 -4.570 306 1HE LYS 35 1HE LYS 35 -3.815 17.399 -4.481 307 2HE LYS 35 2HE LYS 35 -3.038 15.868 -4.131 308 1HZ LYS 35 1HZ LYS 35 -3.153 16.595 -6.521 309 2HZ LYS 35 2HZ LYS 35 -3.600 15.055 -6.211 310 3HZ LYS 35 3HZ LYS 35 -4.736 16.195 -6.491 311 H THR 36 H THR 36 -8.287 14.920 -0.117 312 HA THR 36 HA THR 36 -8.726 16.331 2.273 313 HB THR 36 HB THR 36 -8.074 18.093 0.283 314 HG1 THR 36 HG1 THR 36 -8.539 19.003 2.266 315 1HG2 THR 36 1HG2 THR 36 -11.058 18.408 0.346 316 2HG2 THR 36 2HG2 THR 36 -9.901 18.861 -0.929 317 3HG2 THR 36 3HG2 THR 36 -10.430 17.169 -0.768 318 H VAL 37 H VAL 37 -11.334 17.244 1.879 319 HA VAL 37 HA VAL 37 -12.718 14.822 1.964 320 HB VAL 37 HB VAL 37 -13.242 17.127 2.971 321 1HG1 VAL 37 1HG1 VAL 37 -14.107 18.790 1.723 322 2HG1 VAL 37 2HG1 VAL 37 -13.384 17.922 0.347 323 3HG1 VAL 37 3HG1 VAL 37 -15.100 17.678 0.751 324 1HG2 VAL 37 1HG2 VAL 37 -15.275 16.309 3.532 325 2HG2 VAL 37 2HG2 VAL 37 -15.772 16.085 1.838 326 3HG2 VAL 37 3HG2 VAL 37 -14.732 14.876 2.627 327 H THR 38 H THR 38 -14.960 14.856 0.470 328 HA THR 38 HA THR 38 -14.224 13.812 -1.944 329 HB THR 38 HB THR 38 -16.840 15.309 -1.621 330 HG1 THR 38 HG1 THR 38 -16.849 14.360 0.391 331 1HG2 THR 38 1HG2 THR 38 -16.940 13.839 -3.484 332 2HG2 THR 38 2HG2 THR 38 -15.883 12.637 -2.706 333 3HG2 THR 38 3HG2 THR 38 -17.570 12.819 -2.168 334 H ALA 39 H ALA 39 -14.880 14.658 -4.185 335 HA ALA 39 HA ALA 39 -14.830 17.437 -4.629 336 1HB ALA 39 1HB ALA 39 -12.371 16.665 -5.866 337 2HB ALA 39 2HB ALA 39 -12.633 17.892 -4.603 338 3HB ALA 39 3HB ALA 39 -12.276 16.209 -4.148 339 H LEU 40 H LEU 40 -14.581 17.872 -7.070 340 HA LEU 40 HA LEU 40 -15.993 15.745 -8.427 341 1HB LEU 40 1HB LEU 40 -15.488 18.650 -8.886 342 2HB LEU 40 2HB LEU 40 -15.869 17.643 -10.268 343 HG LEU 40 HG LEU 40 -17.638 17.569 -7.837 344 1HD1 LEU 40 1HD1 LEU 40 -17.744 19.669 -10.021 345 2HD1 LEU 40 2HD1 LEU 40 -19.005 19.382 -8.797 346 3HD1 LEU 40 3HD1 LEU 40 -17.389 19.937 -8.297 347 1HD2 LEU 40 1HD2 LEU 40 -17.822 16.794 -10.713 348 2HD2 LEU 40 2HD2 LEU 40 -18.393 15.950 -9.253 349 3HD2 LEU 40 3HD2 LEU 40 -19.303 17.340 -9.892 350 H LYS 41 H LYS 41 -13.766 14.511 -7.979 351 HA LYS 41 HA LYS 41 -11.515 15.081 -9.439 352 1HB LYS 41 1HB LYS 41 -10.792 13.006 -8.811 353 2HB LYS 41 2HB LYS 41 -12.098 13.224 -7.664 354 1HG LYS 41 1HG LYS 41 -13.632 11.916 -9.081 355 2HG LYS 41 2HG LYS 41 -12.427 11.806 -10.349 356 1HD LYS 41 1HD LYS 41 -11.605 9.928 -9.388 357 2HD LYS 41 2HD LYS 41 -11.151 10.860 -7.975 358 1HE LYS 41 1HE LYS 41 -14.037 10.005 -8.263 359 2HE LYS 41 2HE LYS 41 -12.855 8.802 -7.783 360 1HZ LYS 41 1HZ LYS 41 -12.175 10.699 -6.150 361 2HZ LYS 41 2HZ LYS 41 -13.726 11.166 -6.360 362 3HZ LYS 41 3HZ LYS 41 -13.393 9.672 -5.790 363 H ALA 42 H ALA 42 -10.762 13.421 -11.318 364 HA ALA 42 HA ALA 42 -12.080 14.251 -13.598 365 1HB ALA 42 1HB ALA 42 -10.790 11.962 -14.383 366 2HB ALA 42 2HB ALA 42 -9.993 13.537 -14.149 367 3HB ALA 42 3HB ALA 42 -9.959 12.320 -12.850 368 H GLY 43 H GLY 43 -12.905 12.486 -15.308 369 1HA GLY 43 1HA GLY 43 -14.582 10.464 -14.034 370 2HA GLY 43 2HA GLY 43 -15.408 11.774 -14.855 371 H GLU 44 H GLU 44 -12.604 9.522 -15.428 372 HA GLU 44 HA GLU 44 -13.830 8.565 -17.785 373 1HB GLU 44 1HB GLU 44 -12.406 10.918 -18.164 374 2HB GLU 44 2HB GLU 44 -11.197 9.704 -18.530 375 1HG GLU 44 1HG GLU 44 -12.165 9.277 -20.534 376 2HG GLU 44 2HG GLU 44 -13.687 8.888 -19.755 377 HE2 GLU 44 HE2 GLU 44 -12.747 11.366 -22.041 378 H ASP 45 H ASP 45 -12.881 6.583 -18.459 379 HA ASP 45 HA ASP 45 -11.559 5.172 -16.555 380 1HB ASP 45 1HB ASP 45 -10.859 3.700 -18.630 381 2HB ASP 45 2HB ASP 45 -12.554 3.857 -18.214 382 HD2 ASP 45 HD2 ASP 45 -11.442 4.501 -21.752 Start of MODEL 13 1 H MET 1 H MET 1 -5.353 -14.055 -10.711 2 HA MET 1 HA MET 1 -3.259 -14.650 -10.815 3 1HB MET 1 1HB MET 1 -4.257 -15.376 -13.610 4 2HB MET 1 2HB MET 1 -2.617 -15.762 -13.130 5 1HG MET 1 1HG MET 1 -3.471 -17.074 -11.190 6 2HG MET 1 2HG MET 1 -5.119 -16.652 -11.612 7 1HE MET 1 1HE MET 1 -6.246 -19.365 -13.498 8 2HE MET 1 2HE MET 1 -5.479 -19.810 -11.956 9 3HE MET 1 3HE MET 1 -6.326 -18.253 -12.111 10 H PHE 2 H PHE 2 -1.268 -13.644 -10.983 11 HA PHE 2 HA PHE 2 -1.147 -11.155 -12.268 12 1HB PHE 2 1HB PHE 2 1.360 -11.506 -11.630 13 2HB PHE 2 2HB PHE 2 0.215 -11.613 -10.307 14 HD1 PHE 2 HD1 PHE 2 0.053 -13.571 -9.015 15 HD2 PHE 2 HD2 PHE 2 2.182 -13.669 -12.684 16 HE1 PHE 2 HE1 PHE 2 0.920 -15.858 -8.451 17 HE2 PHE 2 HE2 PHE 2 3.049 -15.956 -12.120 18 HZ PHE 2 HZ PHE 2 2.407 -17.023 -10.010 19 H ILE 3 H ILE 3 1.319 -10.931 -13.490 20 HA ILE 3 HA ILE 3 1.110 -12.793 -15.752 21 HB ILE 3 HB ILE 3 0.149 -10.489 -16.144 22 1HG1 ILE 3 1HG1 ILE 3 0.788 -12.024 -17.951 23 2HG1 ILE 3 2HG1 ILE 3 1.053 -10.348 -18.388 24 1HG2 ILE 3 1HG2 ILE 3 1.978 -8.784 -16.756 25 2HG2 ILE 3 2HG2 ILE 3 1.571 -9.008 -15.038 26 3HG2 ILE 3 3HG2 ILE 3 3.039 -9.757 -15.710 27 1HD1 ILE 3 1HD1 ILE 3 3.491 -11.028 -17.239 28 2HD1 ILE 3 2HD1 ILE 3 3.013 -12.536 -18.055 29 3HD1 ILE 3 3HD1 ILE 3 3.146 -11.024 -18.985 30 H TRP 4 H TRP 4 3.022 -13.680 -16.478 31 HA TRP 4 HA TRP 4 5.480 -12.596 -15.303 32 1HB TRP 4 1HB TRP 4 6.175 -14.569 -14.423 33 2HB TRP 4 2HB TRP 4 4.452 -14.686 -14.126 34 HD1 TRP 4 HD1 TRP 4 3.247 -16.805 -15.144 35 HE1 TRP 4 HE1 TRP 4 3.878 -18.843 -16.697 36 HE3 TRP 4 HE3 TRP 4 7.807 -15.024 -16.519 37 HZ2 TRP 4 HZ2 TRP 4 6.162 -19.467 -18.290 38 HZ3 TRP 4 HZ3 TRP 4 9.174 -16.409 -18.076 39 HH2 TRP 4 HH2 TRP 4 8.419 -18.561 -18.956 40 H THR 5 H THR 5 7.325 -12.830 -16.690 41 HA THR 5 HA THR 5 6.948 -14.183 -19.227 42 HB THR 5 HB THR 5 7.461 -12.088 -20.504 43 HG1 THR 5 HG1 THR 5 8.430 -10.685 -19.055 44 1HG2 THR 5 1HG2 THR 5 5.325 -11.032 -20.333 45 2HG2 THR 5 2HG2 THR 5 5.000 -12.695 -19.790 46 3HG2 THR 5 3HG2 THR 5 5.194 -11.391 -18.595 47 H SER 6 H SER 6 9.052 -11.977 -17.272 48 HA SER 6 HA SER 6 11.046 -13.709 -16.879 49 1HB SER 6 1HB SER 6 11.002 -12.946 -19.679 50 2HB SER 6 2HB SER 6 12.472 -12.337 -18.945 51 HG SER 6 HG SER 6 13.202 -14.333 -19.204 52 H GLY 7 H GLY 7 10.728 -12.218 -15.022 53 1HA GLY 7 1HA GLY 7 12.310 -9.743 -15.356 54 2HA GLY 7 2HA GLY 7 10.790 -9.758 -14.483 55 H ARG 8 H ARG 8 14.104 -11.183 -14.560 56 HA ARG 8 HA ARG 8 13.766 -11.726 -11.721 57 1HB ARG 8 1HB ARG 8 15.200 -13.128 -13.936 58 2HB ARG 8 2HB ARG 8 16.097 -13.040 -12.434 59 1HG ARG 8 1HG ARG 8 13.483 -13.734 -11.626 60 2HG ARG 8 2HG ARG 8 13.730 -14.656 -13.096 61 1HD ARG 8 1HD ARG 8 16.089 -14.691 -11.299 62 2HD ARG 8 2HD ARG 8 14.654 -15.372 -10.558 63 HE ARG 8 HE ARG 8 14.671 -17.135 -12.136 64 1HH1 ARG 8 2HH2 ARG 8 17.035 -14.679 -13.011 65 2HH1 ARG 8 1HH2 ARG 8 17.804 -15.665 -14.209 66 1HH2 ARG 8 2HH1 ARG 8 15.686 -18.436 -13.716 67 2HH2 ARG 8 1HH1 ARG 8 17.032 -17.816 -14.613 68 H THR 9 H THR 9 15.381 -10.951 -10.238 69 HA THR 9 HA THR 9 17.675 -9.543 -11.280 70 HB THR 9 HB THR 9 15.798 -7.872 -11.464 71 HG1 THR 9 HG1 THR 9 17.087 -6.325 -10.295 72 1HG2 THR 9 1HG2 THR 9 15.763 -7.843 -8.425 73 2HG2 THR 9 2HG2 THR 9 14.607 -7.102 -9.557 74 3HG2 THR 9 3HG2 THR 9 14.609 -8.866 -9.314 75 H SER 10 H SER 10 17.695 -8.011 -8.616 76 HA SER 10 HA SER 10 19.020 -10.128 -7.236 77 1HB SER 10 1HB SER 10 18.598 -7.268 -6.279 78 2HB SER 10 2HB SER 10 19.841 -8.388 -5.758 79 HG SER 10 HG SER 10 21.049 -7.889 -7.465 80 H SER 11 H SER 11 18.606 -10.536 -4.853 81 HA SER 11 HA SER 11 15.778 -10.758 -4.477 82 1HB SER 11 1HB SER 11 18.136 -12.161 -3.598 83 2HB SER 11 2HB SER 11 17.266 -11.638 -2.170 84 HG SER 11 HG SER 11 15.323 -12.543 -3.637 85 H SER 12 H SER 12 18.068 -8.362 -3.933 86 HA SER 12 HA SER 12 17.081 -7.598 -1.346 87 1HB SER 12 1HB SER 12 19.511 -7.278 -2.629 88 2HB SER 12 2HB SER 12 18.796 -5.693 -2.851 89 HG SER 12 HG SER 12 19.377 -5.288 -0.839 90 H TYR 13 H TYR 13 15.011 -7.710 -3.263 91 HA TYR 13 HA TYR 13 14.531 -4.860 -3.824 92 1HB TYR 13 1HB TYR 13 13.268 -5.692 -5.741 93 2HB TYR 13 2HB TYR 13 14.732 -6.656 -5.717 94 HD1 TYR 13 HD1 TYR 13 14.642 -8.989 -4.678 95 HD2 TYR 13 HD2 TYR 13 11.133 -6.708 -5.566 96 HE1 TYR 13 HE1 TYR 13 13.237 -11.106 -4.600 97 HE2 TYR 13 HE2 TYR 13 9.740 -8.833 -5.486 98 HH TYR 13 HH TYR 13 9.815 -10.997 -4.550 99 H ARG 14 H ARG 14 13.035 -7.996 -2.800 100 HA ARG 14 HA ARG 14 10.787 -6.471 -1.816 101 1HB ARG 14 1HB ARG 14 11.205 -9.195 -2.812 102 2HB ARG 14 2HB ARG 14 10.416 -9.241 -1.248 103 1HG ARG 14 1HG ARG 14 9.363 -7.215 -3.193 104 2HG ARG 14 2HG ARG 14 9.068 -8.895 -3.596 105 1HD ARG 14 1HD ARG 14 7.189 -8.060 -2.260 106 2HD ARG 14 2HD ARG 14 8.062 -9.254 -1.321 107 HE ARG 14 HE ARG 14 9.256 -6.806 -0.657 108 1HH1 ARG 14 2HH2 ARG 14 6.019 -8.175 -0.483 109 2HH1 ARG 14 1HH2 ARG 14 5.555 -7.231 0.893 110 1HH2 ARG 14 2HH1 ARG 14 8.645 -5.561 1.159 111 2HH2 ARG 14 1HH1 ARG 14 7.059 -5.734 1.834 112 H HIS 15 H HIS 15 13.654 -8.275 -0.799 113 HA HIS 15 HA HIS 15 13.014 -9.040 1.729 114 1HB HIS 15 1HB HIS 15 15.466 -8.350 0.256 115 2HB HIS 15 2HB HIS 15 15.610 -8.151 1.991 116 HD1 HIS 15 HD1 HIS 15 17.371 -10.273 1.213 117 HD2 HIS 15 HD2 HIS 15 13.268 -11.044 1.623 118 HE1 HIS 15 HE1 HIS 15 17.145 -12.796 1.518 119 H ASP 16 H ASP 16 13.394 -5.787 0.427 120 HA ASP 16 HA ASP 16 13.623 -4.660 3.055 121 1HB ASP 16 1HB ASP 16 12.979 -2.737 0.961 122 2HB ASP 16 2HB ASP 16 14.430 -2.854 1.936 123 HD2 ASP 16 HD2 ASP 16 16.205 -4.754 -0.164 124 H GLU 17 H GLU 17 11.867 -3.712 4.184 125 HA GLU 17 HA GLU 17 9.281 -4.221 3.060 126 1HB GLU 17 1HB GLU 17 10.427 -3.942 5.714 127 2HB GLU 17 2HB GLU 17 9.051 -2.868 5.564 128 1HG GLU 17 1HG GLU 17 7.565 -4.673 4.981 129 2HG GLU 17 2HG GLU 17 8.894 -5.772 4.666 130 HE2 GLU 17 HE2 GLU 17 8.262 -7.283 6.940 131 H LYS 18 H LYS 18 11.504 -1.531 3.578 132 HA LYS 18 HA LYS 18 9.456 0.466 3.285 133 1HB LYS 18 1HB LYS 18 12.409 0.430 3.758 134 2HB LYS 18 2HB LYS 18 11.706 1.877 3.062 135 1HG LYS 18 1HG LYS 18 9.898 1.327 5.085 136 2HG LYS 18 2HG LYS 18 11.388 0.744 5.799 137 1HD LYS 18 1HD LYS 18 11.295 3.470 4.462 138 2HD LYS 18 2HD LYS 18 10.727 3.273 6.108 139 1HE LYS 18 1HE LYS 18 13.191 1.908 6.094 140 2HE LYS 18 2HE LYS 18 13.489 3.304 5.078 141 1HZ LYS 18 1HZ LYS 18 13.529 4.550 6.873 142 2HZ LYS 18 2HZ LYS 18 12.022 4.098 7.311 143 3HZ LYS 18 3HZ LYS 18 13.313 3.239 7.822 144 H ARG 19 H ARG 19 10.557 -1.775 1.194 145 HA ARG 19 HA ARG 19 10.900 0.099 -0.985 146 1HB ARG 19 1HB ARG 19 11.637 -2.777 -0.501 147 2HB ARG 19 2HB ARG 19 11.264 -2.341 -2.157 148 1HG ARG 19 1HG ARG 19 12.943 -0.259 -1.113 149 2HG ARG 19 2HG ARG 19 13.669 -1.780 -0.634 150 1HD ARG 19 1HD ARG 19 14.595 -1.692 -2.741 151 2HD ARG 19 2HD ARG 19 13.063 -2.394 -3.223 152 HE ARG 19 HE ARG 19 12.499 0.296 -3.277 153 1HH1 ARG 19 2HH2 ARG 19 15.107 -1.616 -4.663 154 2HH1 ARG 19 1HH2 ARG 19 15.342 -0.553 -6.010 155 1HH2 ARG 19 2HH1 ARG 19 12.809 1.699 -5.054 156 2HH2 ARG 19 1HH1 ARG 19 14.026 1.345 -6.234 157 H ASN 20 H ASN 20 8.513 -1.766 0.597 158 HA ASN 20 HA ASN 20 6.921 -1.806 -1.847 159 1HB ASN 20 1HB ASN 20 7.542 -4.084 -0.727 160 2HB ASN 20 2HB ASN 20 6.468 -3.612 0.575 161 1HD2 ASN 20 1HD2 ASN 20 4.622 -4.615 0.420 162 2HD2 ASN 20 2HD2 ASN 20 3.687 -4.887 -1.013 163 H ILE 21 H ILE 21 7.227 0.469 -0.056 164 HA ILE 21 HA ILE 21 4.676 0.431 1.396 165 HB ILE 21 HB ILE 21 5.914 2.602 2.361 166 1HG1 ILE 21 1HG1 ILE 21 8.302 2.015 2.783 167 2HG1 ILE 21 2HG1 ILE 21 8.157 0.695 1.638 168 1HG2 ILE 21 1HG2 ILE 21 5.484 1.424 4.188 169 2HG2 ILE 21 2HG2 ILE 21 5.357 -0.066 3.222 170 3HG2 ILE 21 3HG2 ILE 21 6.932 0.433 3.884 171 1HD1 ILE 21 1HD1 ILE 21 8.874 3.303 0.999 172 2HD1 ILE 21 2HD1 ILE 21 8.286 2.088 -0.161 173 3HD1 ILE 21 3HD1 ILE 21 7.150 3.256 0.557 174 H TYR 22 H TYR 22 6.636 1.945 -1.141 175 HA TYR 22 HA TYR 22 5.298 4.326 -1.467 176 1HB TYR 22 1HB TYR 22 6.297 4.173 -3.709 177 2HB TYR 22 2HB TYR 22 7.385 3.317 -2.634 178 HD1 TYR 22 HD1 TYR 22 7.455 0.826 -2.640 179 HD2 TYR 22 HD2 TYR 22 5.084 3.019 -5.446 180 HE1 TYR 22 HE1 TYR 22 7.266 -1.242 -4.107 181 HE2 TYR 22 HE2 TYR 22 4.903 0.944 -6.904 182 HH TYR 22 HH TYR 22 6.873 -1.560 -6.724 183 H GLN 23 H GLN 23 4.483 1.044 -2.752 184 HA GLN 23 HA GLN 23 2.305 1.998 -4.242 185 1HB GLN 23 1HB GLN 23 3.726 -0.329 -4.199 186 2HB GLN 23 2HB GLN 23 2.310 -0.843 -3.304 187 1HG GLN 23 1HG GLN 23 1.612 0.750 -5.692 188 2HG GLN 23 2HG GLN 23 2.528 -0.689 -6.095 189 1HE2 GLN 23 1HE2 GLN 23 0.606 -1.415 -7.137 190 2HE2 GLN 23 2HE2 GLN 23 -0.669 -2.175 -6.244 191 H LYS 24 H LYS 24 2.788 1.823 -0.913 192 HA LYS 24 HA LYS 24 0.077 1.031 -0.270 193 1HB LYS 24 1HB LYS 24 2.331 0.519 1.021 194 2HB LYS 24 2HB LYS 24 2.033 2.088 1.742 195 1HG LYS 24 1HG LYS 24 0.235 1.338 2.953 196 2HG LYS 24 2HG LYS 24 -0.386 0.375 1.627 197 1HD LYS 24 1HD LYS 24 2.140 -0.730 2.637 198 2HD LYS 24 2HD LYS 24 0.963 -0.576 3.926 199 1HE LYS 24 1HE LYS 24 0.625 -2.756 2.939 200 2HE LYS 24 2HE LYS 24 -0.729 -1.764 2.436 201 1HZ LYS 24 1HZ LYS 24 1.325 -2.917 0.857 202 2HZ LYS 24 2HZ LYS 24 -0.143 -2.362 0.405 203 3HZ LYS 24 3HZ LYS 24 1.119 -1.331 0.525 204 H ILE 25 H ILE 25 2.184 3.906 0.466 205 HA ILE 25 HA ILE 25 0.224 5.576 1.329 206 HB ILE 25 HB ILE 25 2.547 6.428 -0.393 207 1HG1 ILE 25 1HG1 ILE 25 3.411 6.556 2.229 208 2HG1 ILE 25 2HG1 ILE 25 2.532 5.041 2.197 209 1HG2 ILE 25 1HG2 ILE 25 1.649 8.428 0.065 210 2HG2 ILE 25 2HG2 ILE 25 0.632 7.787 1.377 211 3HG2 ILE 25 3HG2 ILE 25 2.337 8.190 1.690 212 1HD1 ILE 25 1HD1 ILE 25 5.007 5.838 0.698 213 2HD1 ILE 25 2HD1 ILE 25 4.581 4.276 1.438 214 3HD1 ILE 25 3HD1 ILE 25 3.873 4.742 -0.128 215 H ARG 26 H ARG 26 1.298 5.044 -2.091 216 HA ARG 26 HA ARG 26 -0.342 6.878 -3.240 217 1HB ARG 26 1HB ARG 26 1.100 4.434 -4.085 218 2HB ARG 26 2HB ARG 26 -0.319 4.741 -5.066 219 1HG ARG 26 1HG ARG 26 0.788 7.284 -4.867 220 2HG ARG 26 2HG ARG 26 2.220 6.274 -4.887 221 1HD ARG 26 1HD ARG 26 0.482 5.201 -6.887 222 2HD ARG 26 2HD ARG 26 0.426 6.941 -7.087 223 HE ARG 26 HE ARG 26 3.153 6.257 -6.732 224 1HH1 ARG 26 2HH2 ARG 26 0.584 5.649 -9.060 225 2HH1 ARG 26 1HH2 ARG 26 1.667 5.471 -10.400 226 1HH2 ARG 26 2HH1 ARG 26 4.581 6.022 -8.500 227 2HH2 ARG 26 1HH1 ARG 26 3.955 5.685 -10.080 228 H ASP 27 H ASP 27 -1.096 3.745 -1.796 229 HA ASP 27 HA ASP 27 -3.554 3.419 -3.148 230 1HB ASP 27 1HB ASP 27 -1.907 1.828 -1.572 231 2HB ASP 27 2HB ASP 27 -3.238 2.146 -0.478 232 HD2 ASP 27 HD2 ASP 27 -4.731 -0.407 -1.374 233 H HIS 28 H HIS 28 -2.363 5.346 -0.509 234 HA HIS 28 HA HIS 28 -4.914 5.497 0.830 235 1HB HIS 28 1HB HIS 28 -2.224 5.853 1.575 236 2HB HIS 28 2HB HIS 28 -2.942 7.448 1.679 237 HD1 HIS 28 HD1 HIS 28 -2.998 7.561 4.241 238 HD2 HIS 28 HD2 HIS 28 -5.004 4.227 2.675 239 HE1 HIS 28 HE1 HIS 28 -4.277 6.517 6.187 240 H ASP 29 H ASP 29 -3.069 7.143 -1.667 241 HA ASP 29 HA ASP 29 -4.496 9.584 -1.381 242 1HB ASP 29 1HB ASP 29 -2.118 8.871 -2.554 243 2HB ASP 29 2HB ASP 29 -3.151 8.907 -3.970 244 HD2 ASP 29 HD2 ASP 29 -1.843 12.036 -2.035 245 H LEU 30 H LEU 30 -4.764 6.500 -3.117 246 HA LEU 30 HA LEU 30 -6.332 7.235 -5.268 247 1HB LEU 30 1HB LEU 30 -6.149 4.709 -3.638 248 2HB LEU 30 2HB LEU 30 -7.193 4.842 -5.040 249 HG LEU 30 HG LEU 30 -4.252 5.472 -5.242 250 1HD1 LEU 30 1HD1 LEU 30 -3.596 3.345 -5.144 251 2HD1 LEU 30 2HD1 LEU 30 -5.164 3.008 -4.372 252 3HD1 LEU 30 3HD1 LEU 30 -4.970 2.785 -6.128 253 1HD2 LEU 30 1HD2 LEU 30 -6.189 4.402 -7.309 254 2HD2 LEU 30 2HD2 LEU 30 -5.824 6.128 -7.071 255 3HD2 LEU 30 3HD2 LEU 30 -4.536 5.008 -7.572 256 H LEU 31 H LEU 31 -7.084 7.010 -1.821 257 HA LEU 31 HA LEU 31 -9.931 7.157 -2.363 258 1HB LEU 31 1HB LEU 31 -8.606 7.261 0.333 259 2HB LEU 31 2HB LEU 31 -10.242 6.779 -0.068 260 HG LEU 31 HG LEU 31 -8.410 5.044 -1.444 261 1HD1 LEU 31 1HD1 LEU 31 -7.964 5.094 1.549 262 2HD1 LEU 31 2HD1 LEU 31 -7.189 4.036 0.345 263 3HD1 LEU 31 3HD1 LEU 31 -6.834 5.780 0.357 264 1HD2 LEU 31 1HD2 LEU 31 -10.663 4.843 0.492 265 2HD2 LEU 31 2HD2 LEU 31 -10.438 4.080 -1.100 266 3HD2 LEU 31 3HD2 LEU 31 -9.589 3.433 0.325 267 H ASP 32 H ASP 32 -7.737 9.298 -2.995 268 HA ASP 32 HA ASP 32 -9.273 11.444 -1.772 269 1HB ASP 32 1HB ASP 32 -6.505 10.831 -1.312 270 2HB ASP 32 2HB ASP 32 -6.541 12.280 -2.297 271 HD2 ASP 32 HD2 ASP 32 -6.086 13.669 0.365 272 H LYS 33 H LYS 33 -6.877 10.377 -4.281 273 HA LYS 33 HA LYS 33 -6.833 12.489 -5.953 274 1HB LYS 33 1HB LYS 33 -6.490 9.579 -6.205 275 2HB LYS 33 2HB LYS 33 -6.954 10.358 -7.704 276 1HG LYS 33 1HG LYS 33 -5.091 12.139 -7.011 277 2HG LYS 33 2HG LYS 33 -4.496 10.834 -6.004 278 1HD LYS 33 1HD LYS 33 -3.688 9.669 -7.793 279 2HD LYS 33 2HD LYS 33 -5.155 9.903 -8.721 280 1HE LYS 33 1HE LYS 33 -3.752 11.198 -10.022 281 2HE LYS 33 2HE LYS 33 -4.213 12.434 -8.869 282 1HZ LYS 33 1HZ LYS 33 -2.244 12.095 -7.677 283 2HZ LYS 33 2HZ LYS 33 -1.877 10.710 -8.460 284 3HZ LYS 33 3HZ LYS 33 -1.788 12.139 -9.245 285 H ARG 34 H ARG 34 -9.539 10.269 -5.336 286 HA ARG 34 HA ARG 34 -11.072 11.887 -7.210 287 1HB ARG 34 1HB ARG 34 -11.965 9.087 -6.506 288 2HB ARG 34 2HB ARG 34 -12.247 9.994 -7.979 289 1HG ARG 34 1HG ARG 34 -9.885 9.719 -8.653 290 2HG ARG 34 2HG ARG 34 -9.512 8.927 -7.135 291 1HD ARG 34 1HD ARG 34 -9.841 7.059 -8.499 292 2HD ARG 34 2HD ARG 34 -11.460 7.255 -7.858 293 HE ARG 34 HE ARG 34 -12.208 8.018 -9.969 294 1HH1 ARG 34 2HH2 ARG 34 -8.701 7.729 -9.935 295 2HH1 ARG 34 1HH2 ARG 34 -8.542 7.908 -11.651 296 1HH2 ARG 34 2HH1 ARG 34 -11.999 8.253 -12.233 297 2HH2 ARG 34 1HH1 ARG 34 -10.431 8.208 -12.966 298 H LYS 35 H LYS 35 -10.990 9.982 -4.151 299 HA LYS 35 HA LYS 35 -13.605 10.816 -3.361 300 1HB LYS 35 1HB LYS 35 -11.477 9.044 -2.358 301 2HB LYS 35 2HB LYS 35 -12.358 9.877 -1.094 302 1HG LYS 35 1HG LYS 35 -13.688 7.968 -1.426 303 2HG LYS 35 2HG LYS 35 -14.512 9.154 -2.419 304 1HD LYS 35 1HD LYS 35 -12.523 8.060 -4.116 305 2HD LYS 35 2HD LYS 35 -13.151 6.686 -3.229 306 1HE LYS 35 1HE LYS 35 -15.522 7.712 -3.812 307 2HE LYS 35 2HE LYS 35 -14.648 8.605 -5.041 308 1HZ LYS 35 1HZ LYS 35 -13.702 6.299 -5.598 309 2HZ LYS 35 2HZ LYS 35 -15.010 5.728 -4.804 310 3HZ LYS 35 3HZ LYS 35 -15.203 6.688 -6.111 311 H THR 36 H THR 36 -13.685 11.805 -0.945 312 HA THR 36 HA THR 36 -12.736 14.451 -1.242 313 HB THR 36 HB THR 36 -13.828 13.035 1.244 314 HG1 THR 36 HG1 THR 36 -15.335 12.696 -0.425 315 1HG2 THR 36 1HG2 THR 36 -13.441 15.234 1.966 316 2HG2 THR 36 2HG2 THR 36 -13.537 15.896 0.316 317 3HG2 THR 36 3HG2 THR 36 -15.026 15.451 1.185 318 H VAL 37 H VAL 37 -11.658 15.476 0.902 319 HA VAL 37 HA VAL 37 -9.162 13.958 1.197 320 HB VAL 37 HB VAL 37 -9.333 16.287 0.039 321 1HG1 VAL 37 1HG1 VAL 37 -10.622 17.201 2.080 322 2HG1 VAL 37 2HG1 VAL 37 -9.032 17.274 2.877 323 3HG1 VAL 37 3HG1 VAL 37 -9.325 18.206 1.389 324 1HG2 VAL 37 1HG2 VAL 37 -7.309 14.903 1.429 325 2HG2 VAL 37 2HG2 VAL 37 -7.110 16.170 0.194 326 3HG2 VAL 37 3HG2 VAL 37 -7.158 16.608 1.919 327 H THR 38 H THR 38 -8.145 15.492 3.391 328 HA THR 38 HA THR 38 -9.031 14.082 5.543 329 HB THR 38 HB THR 38 -8.117 16.961 5.833 330 HG1 THR 38 HG1 THR 38 -5.959 15.906 5.239 331 1HG2 THR 38 1HG2 THR 38 -6.474 15.841 7.386 332 2HG2 THR 38 2HG2 THR 38 -8.162 15.548 7.872 333 3HG2 THR 38 3HG2 THR 38 -7.245 14.277 7.028 334 H ALA 39 H ALA 39 -10.084 15.025 7.601 335 HA ALA 39 HA ALA 39 -12.054 17.009 7.292 336 1HB ALA 39 1HB ALA 39 -13.034 15.190 5.848 337 2HB ALA 39 2HB ALA 39 -13.100 14.152 7.293 338 3HB ALA 39 3HB ALA 39 -14.057 15.651 7.230 339 H LEU 40 H LEU 40 -13.783 16.573 9.265 340 HA LEU 40 HA LEU 40 -12.071 15.800 11.524 341 1HB LEU 40 1HB LEU 40 -14.095 17.990 11.174 342 2HB LEU 40 2HB LEU 40 -13.709 17.374 12.768 343 HG LEU 40 HG LEU 40 -11.380 18.129 11.095 344 1HD1 LEU 40 1HD1 LEU 40 -12.651 20.461 12.390 345 2HD1 LEU 40 2HD1 LEU 40 -11.736 20.339 10.868 346 3HD1 LEU 40 3HD1 LEU 40 -13.452 19.866 10.916 347 1HD2 LEU 40 1HD2 LEU 40 -12.134 18.704 13.974 348 2HD2 LEU 40 2HD2 LEU 40 -11.139 17.343 13.404 349 3HD2 LEU 40 3HD2 LEU 40 -10.555 19.013 13.212 350 H LYS 41 H LYS 41 -12.667 13.581 11.482 351 HA LYS 41 HA LYS 41 -15.219 12.611 11.210 352 1HB LYS 41 1HB LYS 41 -14.329 10.592 11.806 353 2HB LYS 41 2HB LYS 41 -12.858 11.460 11.417 354 1HG LYS 41 1HG LYS 41 -12.472 11.978 13.796 355 2HG LYS 41 2HG LYS 41 -14.017 11.277 14.237 356 1HD LYS 41 1HD LYS 41 -13.285 9.045 13.589 357 2HD LYS 41 2HD LYS 41 -11.831 9.673 12.840 358 1HE LYS 41 1HE LYS 41 -12.086 10.506 15.664 359 2HE LYS 41 2HE LYS 41 -12.061 8.763 15.484 360 1HZ LYS 41 1HZ LYS 41 -9.854 9.538 15.640 361 2HZ LYS 41 2HZ LYS 41 -10.067 9.064 14.092 362 3HZ LYS 41 3HZ LYS 41 -10.059 10.653 14.466 363 H ALA 42 H ALA 42 -16.234 11.283 13.272 364 HA ALA 42 HA ALA 42 -17.541 11.509 15.044 365 1HB ALA 42 1HB ALA 42 -14.965 11.992 15.877 366 2HB ALA 42 2HB ALA 42 -15.812 13.439 16.475 367 3HB ALA 42 3HB ALA 42 -16.366 11.819 16.961 368 H GLY 43 H GLY 43 -18.890 13.095 16.384 369 1HA GLY 43 1HA GLY 43 -18.957 15.834 15.546 370 2HA GLY 43 2HA GLY 43 -20.216 14.879 14.789 371 H GLU 44 H GLU 44 -21.396 13.286 16.443 372 HA GLU 44 HA GLU 44 -22.697 13.060 18.166 373 1HB GLU 44 1HB GLU 44 -20.485 14.648 19.499 374 2HB GLU 44 2HB GLU 44 -21.919 14.201 20.402 375 1HG GLU 44 1HG GLU 44 -20.802 12.251 20.822 376 2HG GLU 44 2HG GLU 44 -21.309 11.793 19.208 377 HE2 GLU 44 HE2 GLU 44 -18.342 12.629 20.963 378 H ASP 45 H ASP 45 -24.512 14.091 19.268 379 HA ASP 45 HA ASP 45 -25.262 16.476 17.961 380 1HB ASP 45 1HB ASP 45 -26.766 15.529 20.378 381 2HB ASP 45 2HB ASP 45 -27.384 16.049 18.823 382 HD2 ASP 45 HD2 ASP 45 -27.402 13.618 20.656 Start of MODEL 14 1 H MET 1 H MET 1 32.196 20.946 -5.204 2 HA MET 1 HA MET 1 32.233 19.136 -7.147 3 1HB MET 1 1HB MET 1 34.966 20.475 -6.864 4 2HB MET 1 2HB MET 1 34.838 18.823 -7.433 5 1HG MET 1 1HG MET 1 33.519 19.489 -9.361 6 2HG MET 1 2HG MET 1 33.274 21.102 -8.722 7 1HE MET 1 1HE MET 1 34.285 20.140 -11.518 8 2HE MET 1 2HE MET 1 34.287 21.910 -11.329 9 3HE MET 1 3HE MET 1 35.740 21.078 -11.934 10 H PHE 2 H PHE 2 33.673 17.080 -6.527 11 HA PHE 2 HA PHE 2 34.082 15.540 -5.005 12 1HB PHE 2 1HB PHE 2 36.017 17.028 -4.515 13 2HB PHE 2 2HB PHE 2 35.010 18.075 -3.534 14 HD1 PHE 2 HD1 PHE 2 36.100 14.505 -3.686 15 HD2 PHE 2 HD2 PHE 2 35.082 17.821 -1.242 16 HE1 PHE 2 HE1 PHE 2 36.725 13.190 -1.641 17 HE2 PHE 2 HE2 PHE 2 35.706 16.506 0.803 18 HZ PHE 2 HZ PHE 2 36.520 14.206 0.579 19 H ILE 3 H ILE 3 33.401 14.564 -2.917 20 HA ILE 3 HA ILE 3 30.776 14.871 -2.377 21 HB ILE 3 HB ILE 3 31.858 12.969 -1.591 22 1HG1 ILE 3 1HG1 ILE 3 31.479 13.052 0.941 23 2HG1 ILE 3 2HG1 ILE 3 31.028 14.731 0.721 24 1HG2 ILE 3 1HG2 ILE 3 34.111 13.557 -1.409 25 2HG2 ILE 3 2HG2 ILE 3 33.779 14.856 -0.238 26 3HG2 ILE 3 3HG2 ILE 3 33.634 13.153 0.257 27 1HD1 ILE 3 1HD1 ILE 3 28.972 13.529 0.592 28 2HD1 ILE 3 2HD1 ILE 3 29.383 13.893 -1.101 29 3HD1 ILE 3 3HD1 ILE 3 29.681 12.266 -0.443 30 H TRP 4 H TRP 4 29.615 16.629 -1.820 31 HA TRP 4 HA TRP 4 30.874 18.490 0.079 32 1HB TRP 4 1HB TRP 4 29.490 20.235 -0.908 33 2HB TRP 4 2HB TRP 4 30.585 19.521 -2.074 34 HD1 TRP 4 HD1 TRP 4 29.452 18.137 -4.120 35 HE1 TRP 4 HE1 TRP 4 27.025 17.977 -5.143 36 HE3 TRP 4 HE3 TRP 4 27.075 20.269 -0.163 37 HZ2 TRP 4 HZ2 TRP 4 24.442 18.743 -4.204 38 HZ3 TRP 4 HZ3 TRP 4 24.599 20.526 -0.297 39 HH2 TRP 4 HH2 TRP 4 23.288 19.803 -2.228 40 H THR 5 H THR 5 27.923 16.712 -0.973 41 HA THR 5 HA THR 5 26.079 17.600 0.815 42 HB THR 5 HB THR 5 25.060 15.360 0.493 43 HG1 THR 5 HG1 THR 5 27.831 14.886 -0.331 44 1HG2 THR 5 1HG2 THR 5 25.659 17.028 -1.597 45 2HG2 THR 5 2HG2 THR 5 26.588 15.588 -2.079 46 3HG2 THR 5 3HG2 THR 5 24.832 15.468 -1.817 47 H SER 6 H SER 6 27.201 14.350 1.646 48 HA SER 6 HA SER 6 28.580 15.132 3.950 49 1HB SER 6 1HB SER 6 26.405 15.783 4.822 50 2HB SER 6 2HB SER 6 25.678 14.277 4.299 51 HG SER 6 HG SER 6 27.669 14.631 6.370 52 H GLY 7 H GLY 7 29.734 13.520 2.384 53 1HA GLY 7 1HA GLY 7 30.343 11.420 1.786 54 2HA GLY 7 2HA GLY 7 30.236 11.141 3.513 55 H ARG 8 H ARG 8 28.549 10.837 0.384 56 HA ARG 8 HA ARG 8 26.127 10.010 1.071 57 1HB ARG 8 1HB ARG 8 26.044 8.822 -1.022 58 2HB ARG 8 2HB ARG 8 27.200 10.116 -1.266 59 1HG ARG 8 1HG ARG 8 28.972 8.300 -0.454 60 2HG ARG 8 2HG ARG 8 27.722 7.156 -0.900 61 1HD ARG 8 1HD ARG 8 27.658 8.666 -3.143 62 2HD ARG 8 2HD ARG 8 29.304 9.023 -2.660 63 HE ARG 8 HE ARG 8 28.730 6.167 -2.542 64 1HH1 ARG 8 2HH2 ARG 8 29.630 8.797 -4.700 65 2HH1 ARG 8 1HH2 ARG 8 30.390 7.757 -5.858 66 1HH2 ARG 8 2HH1 ARG 8 29.732 4.795 -4.070 67 2HH2 ARG 8 1HH1 ARG 8 30.448 5.465 -5.497 68 H THR 9 H THR 9 25.103 7.876 1.466 69 HA THR 9 HA THR 9 26.935 6.066 2.892 70 HB THR 9 HB THR 9 24.586 5.402 3.932 71 HG1 THR 9 HG1 THR 9 23.608 6.832 2.164 72 1HG2 THR 9 1HG2 THR 9 26.531 7.341 4.675 73 2HG2 THR 9 2HG2 THR 9 24.964 8.177 4.797 74 3HG2 THR 9 3HG2 THR 9 25.246 6.677 5.713 75 H SER 10 H SER 10 25.290 3.823 3.064 76 HA SER 10 HA SER 10 25.781 2.758 0.499 77 1HB SER 10 1HB SER 10 24.325 1.544 2.890 78 2HB SER 10 2HB SER 10 24.878 0.651 1.488 79 HG SER 10 HG SER 10 26.576 0.378 2.834 80 H SER 11 H SER 11 23.744 1.050 -0.161 81 HA SER 11 HA SER 11 21.740 2.914 -0.997 82 1HB SER 11 1HB SER 11 22.805 0.359 -1.909 83 2HB SER 11 2HB SER 11 21.055 0.283 -1.843 84 HG SER 11 HG SER 11 22.486 1.351 -3.782 85 H SER 12 H SER 12 22.255 1.053 1.749 86 HA SER 12 HA SER 12 19.536 0.168 2.020 87 1HB SER 12 1HB SER 12 21.959 -0.008 3.862 88 2HB SER 12 2HB SER 12 20.381 -0.645 4.284 89 HG SER 12 HG SER 12 22.262 -1.932 2.967 90 H TYR 13 H TYR 13 19.682 2.962 1.674 91 HA TYR 13 HA TYR 13 19.179 3.948 4.401 92 1HB TYR 13 1HB TYR 13 20.015 6.075 3.541 93 2HB TYR 13 2HB TYR 13 21.125 4.872 2.916 94 HD1 TYR 13 HD1 TYR 13 20.806 4.048 0.515 95 HD2 TYR 13 HD2 TYR 13 18.789 7.482 2.080 96 HE1 TYR 13 HE1 TYR 13 20.347 4.865 -1.848 97 HE2 TYR 13 HE2 TYR 13 18.338 8.287 -0.289 98 HH TYR 13 HH TYR 13 18.445 7.809 -2.400 99 H ARG 14 H ARG 14 18.182 4.127 0.924 100 HA ARG 14 HA ARG 14 15.684 5.272 1.834 101 1HB ARG 14 1HB ARG 14 17.304 5.432 -0.627 102 2HB ARG 14 2HB ARG 14 15.623 5.095 -0.986 103 1HG ARG 14 1HG ARG 14 16.399 7.306 0.954 104 2HG ARG 14 2HG ARG 14 16.363 7.593 -0.774 105 1HD ARG 14 1HD ARG 14 13.966 6.350 0.623 106 2HD ARG 14 2HD ARG 14 14.198 8.087 0.639 107 HE ARG 14 HE ARG 14 14.441 6.952 -2.043 108 1HH1 ARG 14 2HH2 ARG 14 12.166 8.134 0.367 109 2HH1 ARG 14 1HH2 ARG 14 10.939 8.517 -0.794 110 1HH2 ARG 14 2HH1 ARG 14 12.823 7.457 -3.575 111 2HH2 ARG 14 1HH1 ARG 14 11.315 8.129 -3.051 112 H HIS 15 H HIS 15 17.173 2.390 0.389 113 HA HIS 15 HA HIS 15 14.826 1.237 -0.620 114 1HB HIS 15 1HB HIS 15 17.491 0.080 0.226 115 2HB HIS 15 2HB HIS 15 16.213 -0.893 -0.475 116 HD1 HIS 15 HD1 HIS 15 16.144 -1.016 -2.985 117 HD2 HIS 15 HD2 HIS 15 18.368 2.263 -1.606 118 HE1 HIS 15 HE1 HIS 15 17.207 0.045 -5.047 119 H ASP 16 H ASP 16 16.479 -0.790 1.718 120 HA ASP 16 HA ASP 16 15.780 -1.862 3.468 121 1HB ASP 16 1HB ASP 16 15.982 0.149 4.736 122 2HB ASP 16 2HB ASP 16 14.576 0.874 3.981 123 HD2 ASP 16 HD2 ASP 16 14.306 -2.004 6.678 124 H GLU 17 H GLU 17 13.626 -2.567 4.773 125 HA GLU 17 HA GLU 17 11.911 -3.694 3.021 126 1HB GLU 17 1HB GLU 17 12.172 -3.477 5.852 127 2HB GLU 17 2HB GLU 17 10.501 -3.093 5.491 128 1HG GLU 17 1HG GLU 17 11.577 -5.426 3.981 129 2HG GLU 17 2HG GLU 17 11.513 -5.657 5.717 130 HE2 GLU 17 HE2 GLU 17 8.254 -6.462 4.102 131 H LYS 18 H LYS 18 12.076 -0.360 3.994 132 HA LYS 18 HA LYS 18 9.323 0.228 3.464 133 1HB LYS 18 1HB LYS 18 11.776 1.795 4.191 134 2HB LYS 18 2HB LYS 18 10.398 2.641 3.518 135 1HG LYS 18 1HG LYS 18 9.167 0.993 5.377 136 2HG LYS 18 2HG LYS 18 10.697 1.320 6.168 137 1HD LYS 18 1HD LYS 18 10.180 3.842 5.448 138 2HD LYS 18 2HD LYS 18 8.528 3.265 5.357 139 1HE LYS 18 1HE LYS 18 8.746 2.389 7.722 140 2HE LYS 18 2HE LYS 18 10.355 3.079 7.801 141 1HZ LYS 18 1HZ LYS 18 8.723 4.564 8.711 142 2HZ LYS 18 2HZ LYS 18 9.384 5.237 7.378 143 3HZ LYS 18 3HZ LYS 18 7.885 4.594 7.310 144 H ARG 19 H ARG 19 10.341 -1.283 1.341 145 HA ARG 19 HA ARG 19 10.645 0.769 -0.701 146 1HB ARG 19 1HB ARG 19 11.764 -2.024 -0.416 147 2HB ARG 19 2HB ARG 19 11.444 -1.436 -2.036 148 1HG ARG 19 1HG ARG 19 12.744 0.723 -0.744 149 2HG ARG 19 2HG ARG 19 13.603 -0.700 -0.190 150 1HD ARG 19 1HD ARG 19 13.048 -0.015 -3.119 151 2HD ARG 19 2HD ARG 19 14.580 0.222 -2.303 152 HE ARG 19 HE ARG 19 14.877 -2.174 -2.173 153 1HH1 ARG 19 2HH2 ARG 19 11.954 -1.223 -3.887 154 2HH1 ARG 19 1HH2 ARG 19 11.744 -2.765 -4.646 155 1HH2 ARG 19 2HH1 ARG 19 14.600 -4.209 -3.175 156 2HH2 ARG 19 1HH1 ARG 19 13.260 -4.476 -4.238 157 H ASN 20 H ASN 20 8.635 -1.696 0.657 158 HA ASN 20 HA ASN 20 7.149 -1.907 -1.837 159 1HB ASN 20 1HB ASN 20 7.899 -4.054 -0.705 160 2HB ASN 20 2HB ASN 20 6.943 -3.619 0.697 161 1HD2 ASN 20 1HD2 ASN 20 6.740 -4.085 -2.815 162 2HD2 ASN 20 2HD2 ASN 20 5.135 -4.734 -2.865 163 H ILE 21 H ILE 21 7.158 0.413 0.094 164 HA ILE 21 HA ILE 21 4.436 0.178 1.166 165 HB ILE 21 HB ILE 21 5.383 2.379 2.354 166 1HG1 ILE 21 1HG1 ILE 21 7.731 1.950 3.068 167 2HG1 ILE 21 2HG1 ILE 21 7.836 0.657 1.890 168 1HG2 ILE 21 1HG2 ILE 21 5.065 -0.427 3.046 169 2HG2 ILE 21 2HG2 ILE 21 6.325 0.363 4.025 170 3HG2 ILE 21 3HG2 ILE 21 4.678 1.037 3.982 171 1HD1 ILE 21 1HD1 ILE 21 8.442 3.322 1.399 172 2HD1 ILE 21 2HD1 ILE 21 8.092 2.105 0.148 173 3HD1 ILE 21 3HD1 ILE 21 6.797 3.175 0.736 174 H TYR 22 H TYR 22 6.613 1.877 -1.053 175 HA TYR 22 HA TYR 22 5.308 4.213 -1.508 176 1HB TYR 22 1HB TYR 22 6.428 4.042 -3.686 177 2HB TYR 22 2HB TYR 22 7.431 3.144 -2.564 178 HD1 TYR 22 HD1 TYR 22 7.024 0.568 -2.427 179 HD2 TYR 22 HD2 TYR 22 5.673 3.026 -5.658 180 HE1 TYR 22 HE1 TYR 22 6.850 -1.481 -3.923 181 HE2 TYR 22 HE2 TYR 22 5.503 0.969 -7.143 182 HH TYR 22 HH TYR 22 5.350 -1.302 -7.057 183 H GLN 23 H GLN 23 4.443 0.932 -2.730 184 HA GLN 23 HA GLN 23 2.376 1.939 -4.364 185 1HB GLN 23 1HB GLN 23 3.739 -0.372 -4.370 186 2HB GLN 23 2HB GLN 23 2.390 -0.912 -3.390 187 1HG GLN 23 1HG GLN 23 1.459 0.638 -5.705 188 2HG GLN 23 2HG GLN 23 2.458 -0.711 -6.210 189 1HE2 GLN 23 1HE2 GLN 23 -0.584 0.141 -5.831 190 2HE2 GLN 23 2HE2 GLN 23 -1.342 -1.337 -5.342 191 H LYS 24 H LYS 24 2.718 1.209 -0.966 192 HA LYS 24 HA LYS 24 -0.020 0.634 -0.470 193 1HB LYS 24 1HB LYS 24 2.349 0.362 0.918 194 2HB LYS 24 2HB LYS 24 1.576 1.688 1.763 195 1HG LYS 24 1HG LYS 24 -0.500 0.332 2.026 196 2HG LYS 24 2HG LYS 24 0.240 -0.990 1.143 197 1HD LYS 24 1HD LYS 24 1.852 -1.400 2.876 198 2HD LYS 24 2HD LYS 24 1.556 0.151 3.636 199 1HE LYS 24 1HE LYS 24 -0.173 -0.675 4.867 200 2HE LYS 24 2HE LYS 24 -0.925 -1.401 3.461 201 1HZ LYS 24 1HZ LYS 24 0.567 -3.252 3.664 202 2HZ LYS 24 2HZ LYS 24 1.338 -2.567 4.930 203 3HZ LYS 24 3HZ LYS 24 -0.220 -3.035 5.079 204 H ILE 25 H ILE 25 2.019 3.506 0.444 205 HA ILE 25 HA ILE 25 -0.006 5.143 1.218 206 HB ILE 25 HB ILE 25 2.419 6.050 -0.327 207 1HG1 ILE 25 1HG1 ILE 25 3.103 6.120 2.351 208 2HG1 ILE 25 2HG1 ILE 25 2.246 4.597 2.218 209 1HG2 ILE 25 1HG2 ILE 25 0.916 7.354 1.957 210 2HG2 ILE 25 2HG2 ILE 25 2.284 8.031 1.042 211 3HG2 ILE 25 3HG2 ILE 25 0.720 7.764 0.236 212 1HD1 ILE 25 1HD1 ILE 25 3.790 4.511 -0.063 213 2HD1 ILE 25 2HD1 ILE 25 4.853 5.409 1.047 214 3HD1 ILE 25 3HD1 ILE 25 4.261 3.791 1.495 215 H ARG 26 H ARG 26 1.293 4.701 -2.137 216 HA ARG 26 HA ARG 26 -0.284 6.553 -3.345 217 1HB ARG 26 1HB ARG 26 1.231 4.141 -4.155 218 2HB ARG 26 2HB ARG 26 -0.123 4.464 -5.219 219 1HG ARG 26 1HG ARG 26 0.945 7.008 -4.886 220 2HG ARG 26 2HG ARG 26 2.385 6.011 -4.830 221 1HD ARG 26 1HD ARG 26 0.814 4.963 -6.970 222 2HD ARG 26 2HD ARG 26 0.726 6.706 -7.131 223 HE ARG 26 HE ARG 26 3.139 5.037 -7.402 224 1HH1 ARG 26 2HH2 ARG 26 1.862 8.289 -6.979 225 2HH1 ARG 26 1HH2 ARG 26 3.294 9.065 -7.569 226 1HH2 ARG 26 2HH1 ARG 26 5.028 6.061 -8.180 227 2HH2 ARG 26 1HH1 ARG 26 5.107 7.790 -8.256 228 H ASP 27 H ASP 27 -1.102 3.377 -2.034 229 HA ASP 27 HA ASP 27 -3.462 3.065 -3.552 230 1HB ASP 27 1HB ASP 27 -1.909 1.452 -1.904 231 2HB ASP 27 2HB ASP 27 -3.314 1.734 -0.895 232 HD2 ASP 27 HD2 ASP 27 -3.068 -0.722 -1.523 233 H HIS 28 H HIS 28 -2.466 4.915 -0.771 234 HA HIS 28 HA HIS 28 -5.130 5.047 0.344 235 1HB HIS 28 1HB HIS 28 -2.492 5.340 1.339 236 2HB HIS 28 2HB HIS 28 -3.263 6.904 1.515 237 HD1 HIS 28 HD1 HIS 28 -3.450 6.723 4.088 238 HD2 HIS 28 HD2 HIS 28 -5.397 3.633 2.023 239 HE1 HIS 28 HE1 HIS 28 -4.883 5.503 5.811 240 H ASP 29 H ASP 29 -2.740 7.085 -1.420 241 HA ASP 29 HA ASP 29 -3.948 9.479 -1.267 242 1HB ASP 29 1HB ASP 29 -1.901 8.362 -2.759 243 2HB ASP 29 2HB ASP 29 -3.065 8.730 -4.016 244 HD2 ASP 29 HD2 ASP 29 -0.753 11.571 -3.108 245 H LEU 30 H LEU 30 -4.989 6.545 -2.945 246 HA LEU 30 HA LEU 30 -6.615 7.604 -4.916 247 1HB LEU 30 1HB LEU 30 -6.795 5.058 -3.309 248 2HB LEU 30 2HB LEU 30 -7.853 5.418 -4.659 249 HG LEU 30 HG LEU 30 -4.833 5.271 -4.855 250 1HD1 LEU 30 1HD1 LEU 30 -6.953 3.177 -5.137 251 2HD1 LEU 30 2HD1 LEU 30 -5.523 3.116 -6.195 252 3HD1 LEU 30 3HD1 LEU 30 -5.324 3.072 -4.427 253 1HD2 LEU 30 1HD2 LEU 30 -6.313 4.854 -7.310 254 2HD2 LEU 30 2HD2 LEU 30 -6.700 6.432 -6.582 255 3HD2 LEU 30 3HD2 LEU 30 -5.009 6.009 -6.942 256 H LEU 31 H LEU 31 -6.880 7.768 -1.460 257 HA LEU 31 HA LEU 31 -9.719 7.982 -1.374 258 1HB LEU 31 1HB LEU 31 -7.448 8.346 0.528 259 2HB LEU 31 2HB LEU 31 -9.000 9.049 0.936 260 HG LEU 31 HG LEU 31 -9.442 6.346 0.096 261 1HD1 LEU 31 1HD1 LEU 31 -7.065 5.978 0.625 262 2HD1 LEU 31 2HD1 LEU 31 -7.347 6.594 2.271 263 3HD1 LEU 31 3HD1 LEU 31 -8.150 5.101 1.730 264 1HD2 LEU 31 1HD2 LEU 31 -10.958 7.516 1.532 265 2HD2 LEU 31 2HD2 LEU 31 -10.296 6.132 2.435 266 3HD2 LEU 31 3HD2 LEU 31 -9.690 7.775 2.753 267 H ASP 32 H ASP 32 -9.660 9.504 -3.356 268 HA ASP 32 HA ASP 32 -9.166 12.218 -2.429 269 1HB ASP 32 1HB ASP 32 -8.713 10.820 -4.937 270 2HB ASP 32 2HB ASP 32 -9.812 12.154 -5.225 271 HD2 ASP 32 HD2 ASP 32 -7.615 12.458 -6.440 272 H LYS 33 H LYS 33 -11.552 9.825 -3.341 273 HA LYS 33 HA LYS 33 -13.590 11.171 -4.471 274 1HB LYS 33 1HB LYS 33 -13.311 8.831 -2.719 275 2HB LYS 33 2HB LYS 33 -14.882 9.597 -2.597 276 1HG LYS 33 1HG LYS 33 -13.679 9.110 -5.335 277 2HG LYS 33 2HG LYS 33 -14.427 7.777 -4.478 278 1HD LYS 33 1HD LYS 33 -16.325 9.775 -4.153 279 2HD LYS 33 2HD LYS 33 -15.686 10.158 -5.739 280 1HE LYS 33 1HE LYS 33 -17.024 8.527 -6.579 281 2HE LYS 33 2HE LYS 33 -15.977 7.356 -5.801 282 1HZ LYS 33 1HZ LYS 33 -18.385 7.275 -5.205 283 2HZ LYS 33 2HZ LYS 33 -17.355 7.310 -3.938 284 3HZ LYS 33 3HZ LYS 33 -18.173 8.658 -4.363 285 H ARG 34 H ARG 34 -12.331 11.534 -1.171 286 HA ARG 34 HA ARG 34 -14.484 13.428 -0.685 287 1HB ARG 34 1HB ARG 34 -12.623 12.529 1.516 288 2HB ARG 34 2HB ARG 34 -14.319 12.960 1.615 289 1HG ARG 34 1HG ARG 34 -14.930 10.850 0.420 290 2HG ARG 34 2HG ARG 34 -13.235 10.420 0.305 291 1HD ARG 34 1HD ARG 34 -14.009 9.226 2.218 292 2HD ARG 34 2HD ARG 34 -13.158 10.602 2.891 293 HE ARG 34 HE ARG 34 -15.746 11.543 2.652 294 1HH1 ARG 34 2HH2 ARG 34 -14.338 8.684 4.143 295 2HH1 ARG 34 1HH2 ARG 34 -15.565 8.557 5.359 296 1HH2 ARG 34 2HH1 ARG 34 -17.365 11.376 4.256 297 2HH2 ARG 34 1HH1 ARG 34 -17.298 10.098 5.424 298 H LYS 35 H LYS 35 -10.988 12.924 -0.985 299 HA LYS 35 HA LYS 35 -10.233 15.401 0.184 300 1HB LYS 35 1HB LYS 35 -8.955 13.049 -0.625 301 2HB LYS 35 2HB LYS 35 -8.329 14.272 -1.712 302 1HG LYS 35 1HG LYS 35 -7.648 15.691 0.164 303 2HG LYS 35 2HG LYS 35 -8.460 14.648 1.315 304 1HD LYS 35 1HD LYS 35 -6.880 12.870 0.999 305 2HD LYS 35 2HD LYS 35 -6.266 13.562 -0.489 306 1HE LYS 35 1HE LYS 35 -6.023 15.380 1.849 307 2HE LYS 35 2HE LYS 35 -5.118 13.890 2.026 308 1HZ LYS 35 1HZ LYS 35 -4.387 14.440 -0.369 309 2HZ LYS 35 2HZ LYS 35 -4.820 15.967 0.016 310 3HZ LYS 35 3HZ LYS 35 -3.672 15.199 0.887 311 H THR 36 H THR 36 -8.573 16.694 -1.554 312 HA THR 36 HA THR 36 -10.372 18.194 -3.091 313 HB THR 36 HB THR 36 -7.317 17.959 -3.099 314 HG1 THR 36 HG1 THR 36 -8.621 18.598 -1.119 315 1HG2 THR 36 1HG2 THR 36 -8.005 19.179 -5.124 316 2HG2 THR 36 2HG2 THR 36 -9.209 20.105 -4.196 317 3HG2 THR 36 3HG2 THR 36 -7.472 20.366 -3.909 318 H VAL 37 H VAL 37 -10.003 18.654 -5.510 319 HA VAL 37 HA VAL 37 -10.219 16.069 -6.826 320 HB VAL 37 HB VAL 37 -11.886 18.041 -6.961 321 1HG1 VAL 37 1HG1 VAL 37 -10.171 19.761 -7.484 322 2HG1 VAL 37 2HG1 VAL 37 -9.876 18.957 -9.045 323 3HG1 VAL 37 3HG1 VAL 37 -11.467 19.680 -8.703 324 1HG2 VAL 37 1HG2 VAL 37 -12.760 16.898 -8.678 325 2HG2 VAL 37 2HG2 VAL 37 -11.389 17.292 -9.742 326 3HG2 VAL 37 3HG2 VAL 37 -11.285 15.903 -8.634 327 H THR 38 H THR 38 -9.438 16.595 -9.405 328 HA THR 38 HA THR 38 -6.754 16.148 -9.404 329 HB THR 38 HB THR 38 -8.074 17.716 -11.641 330 HG1 THR 38 HG1 THR 38 -9.610 16.109 -11.741 331 1HG2 THR 38 1HG2 THR 38 -6.098 15.457 -11.322 332 2HG2 THR 38 2HG2 THR 38 -7.178 15.411 -12.735 333 3HG2 THR 38 3HG2 THR 38 -6.093 16.800 -12.490 334 H ALA 39 H ALA 39 -5.030 17.598 -10.515 335 HA ALA 39 HA ALA 39 -5.212 20.380 -10.129 336 1HB ALA 39 1HB ALA 39 -3.172 19.689 -8.233 337 2HB ALA 39 2HB ALA 39 -4.666 20.619 -7.965 338 3HB ALA 39 3HB ALA 39 -4.671 18.850 -7.769 339 H LEU 40 H LEU 40 -2.897 21.372 -10.361 340 HA LEU 40 HA LEU 40 -1.236 21.600 -11.825 341 1HB LEU 40 1HB LEU 40 -0.572 18.951 -10.543 342 2HB LEU 40 2HB LEU 40 0.536 19.817 -11.588 343 HG LEU 40 HG LEU 40 -0.529 21.492 -9.429 344 1HD1 LEU 40 1HD1 LEU 40 -0.249 18.968 -8.560 345 2HD1 LEU 40 2HD1 LEU 40 1.435 19.520 -8.393 346 3HD1 LEU 40 3HD1 LEU 40 0.126 20.394 -7.562 347 1HD2 LEU 40 1HD2 LEU 40 1.490 22.480 -9.565 348 2HD2 LEU 40 2HD2 LEU 40 2.367 20.934 -9.663 349 3HD2 LEU 40 3HD2 LEU 40 1.584 21.607 -11.113 350 H LYS 41 H LYS 41 -2.302 21.675 -13.825 351 HA LYS 41 HA LYS 41 -3.348 19.531 -15.179 352 1HB LYS 41 1HB LYS 41 -3.620 20.984 -16.921 353 2HB LYS 41 2HB LYS 41 -3.355 22.128 -15.621 354 1HG LYS 41 1HG LYS 41 -0.975 22.343 -16.224 355 2HG LYS 41 2HG LYS 41 -1.128 21.079 -17.429 356 1HD LYS 41 1HD LYS 41 -2.404 22.433 -18.891 357 2HD LYS 41 2HD LYS 41 -2.936 23.501 -17.607 358 1HE LYS 41 1HE LYS 41 -0.072 23.655 -17.660 359 2HE LYS 41 2HE LYS 41 -0.606 23.751 -19.326 360 1HZ LYS 41 1HZ LYS 41 -0.817 25.891 -18.684 361 2HZ LYS 41 2HZ LYS 41 -2.317 25.387 -18.283 362 3HZ LYS 41 3HZ LYS 41 -1.175 25.549 -17.128 363 H ALA 42 H ALA 42 -2.308 18.923 -17.527 364 HA ALA 42 HA ALA 42 0.486 18.588 -17.581 365 1HB ALA 42 1HB ALA 42 0.332 16.969 -15.872 366 2HB ALA 42 2HB ALA 42 -1.202 16.319 -16.499 367 3HB ALA 42 3HB ALA 42 0.320 16.005 -17.368 368 H GLY 43 H GLY 43 0.975 18.470 -19.718 369 1HA GLY 43 1HA GLY 43 -1.004 17.190 -21.500 370 2HA GLY 43 2HA GLY 43 -0.351 18.777 -21.853 371 H GLU 44 H GLU 44 1.570 18.941 -22.971 372 HA GLU 44 HA GLU 44 3.166 16.504 -23.089 373 1HB GLU 44 1HB GLU 44 3.692 17.412 -25.525 374 2HB GLU 44 2HB GLU 44 2.261 16.445 -25.227 375 1HG GLU 44 1HG GLU 44 0.906 18.535 -24.959 376 2HG GLU 44 2HG GLU 44 2.337 19.500 -25.264 377 HE2 GLU 44 HE2 GLU 44 0.627 19.821 -27.818 378 H ASP 45 H ASP 45 3.014 20.091 -23.434 379 HA ASP 45 HA ASP 45 4.456 21.657 -23.027 380 1HB ASP 45 1HB ASP 45 4.884 19.864 -20.984 381 2HB ASP 45 2HB ASP 45 6.492 19.932 -21.676 382 HD2 ASP 45 HD2 ASP 45 6.434 20.742 -19.334 Start of MODEL 15 1 H MET 1 H MET 1 39.336 -1.714 2.278 2 HA MET 1 HA MET 1 38.815 -2.766 4.483 3 1HB MET 1 1HB MET 1 40.955 -0.705 5.116 4 2HB MET 1 2HB MET 1 39.714 -1.002 6.317 5 1HG MET 1 1HG MET 1 40.263 -3.483 6.189 6 2HG MET 1 2HG MET 1 41.587 -3.094 5.108 7 1HE MET 1 1HE MET 1 43.288 -4.280 7.830 8 2HE MET 1 2HE MET 1 42.031 -3.973 9.053 9 3HE MET 1 3HE MET 1 41.588 -4.668 7.475 10 H PHE 2 H PHE 2 36.760 -2.116 3.685 11 HA PHE 2 HA PHE 2 34.958 -0.863 3.488 12 1HB PHE 2 1HB PHE 2 35.048 -0.632 5.901 13 2HB PHE 2 2HB PHE 2 36.468 0.392 5.830 14 HD1 PHE 2 HD1 PHE 2 32.897 0.399 4.734 15 HD2 PHE 2 HD2 PHE 2 36.196 2.661 6.152 16 HE1 PHE 2 HE1 PHE 2 31.437 2.435 4.884 17 HE2 PHE 2 HE2 PHE 2 34.736 4.697 6.301 18 HZ PHE 2 HZ PHE 2 32.374 4.559 5.665 19 H ILE 3 H ILE 3 34.049 1.317 2.852 20 HA ILE 3 HA ILE 3 36.038 2.675 1.226 21 HB ILE 3 HB ILE 3 33.970 1.839 0.210 22 1HG1 ILE 3 1HG1 ILE 3 33.300 4.048 -0.874 23 2HG1 ILE 3 2HG1 ILE 3 34.431 4.829 0.212 24 1HG2 ILE 3 1HG2 ILE 3 32.739 2.888 2.507 25 2HG2 ILE 3 2HG2 ILE 3 32.159 3.881 1.148 26 3HG2 ILE 3 3HG2 ILE 3 31.959 2.113 1.107 27 1HD1 ILE 3 1HD1 ILE 3 36.311 3.704 -0.725 28 2HD1 ILE 3 2HD1 ILE 3 35.289 2.469 -1.499 29 3HD1 ILE 3 3HD1 ILE 3 35.307 4.133 -2.130 30 H TRP 4 H TRP 4 36.969 4.553 1.832 31 HA TRP 4 HA TRP 4 35.633 6.035 3.992 32 1HB TRP 4 1HB TRP 4 37.847 6.849 4.612 33 2HB TRP 4 2HB TRP 4 37.722 5.105 4.729 34 HD1 TRP 4 HD1 TRP 4 39.266 3.658 3.028 35 HE1 TRP 4 HE1 TRP 4 41.349 4.181 1.495 36 HE3 TRP 4 HE3 TRP 4 38.763 8.716 3.170 37 HZ2 TRP 4 HZ2 TRP 4 42.527 6.597 0.536 38 HZ3 TRP 4 HZ3 TRP 4 40.422 10.083 1.908 39 HH2 TRP 4 HH2 TRP 4 42.255 9.102 0.623 40 H THR 5 H THR 5 37.335 6.115 0.827 41 HA THR 5 HA THR 5 37.602 8.768 0.367 42 HB THR 5 HB THR 5 38.366 7.373 -1.359 43 HG1 THR 5 HG1 THR 5 37.256 8.579 -2.843 44 1HG2 THR 5 1HG2 THR 5 37.514 5.234 -1.324 45 2HG2 THR 5 2HG2 THR 5 35.955 5.781 -0.661 46 3HG2 THR 5 3HG2 THR 5 36.261 5.879 -2.412 47 H SER 6 H SER 6 34.784 7.256 -1.247 48 HA SER 6 HA SER 6 32.812 8.533 0.123 49 1HB SER 6 1HB SER 6 34.308 10.368 -1.587 50 2HB SER 6 2HB SER 6 32.642 10.262 -2.121 51 HG SER 6 HG SER 6 33.678 11.511 0.105 52 H GLY 7 H GLY 7 32.317 6.231 -0.590 53 1HA GLY 7 1HA GLY 7 30.652 6.308 -2.960 54 2HA GLY 7 2HA GLY 7 32.036 5.239 -3.071 55 H ARG 8 H ARG 8 29.256 6.068 -0.894 56 HA ARG 8 HA ARG 8 29.381 3.954 0.762 57 1HB ARG 8 1HB ARG 8 27.067 4.377 1.263 58 2HB ARG 8 2HB ARG 8 27.719 5.922 0.753 59 1HG ARG 8 1HG ARG 8 26.920 4.979 -1.675 60 2HG ARG 8 2HG ARG 8 25.782 4.114 -0.660 61 1HD ARG 8 1HD ARG 8 24.580 6.005 -0.221 62 2HD ARG 8 2HD ARG 8 26.018 6.925 0.172 63 HE ARG 8 HE ARG 8 26.213 6.769 -2.551 64 1HH1 ARG 8 2HH2 ARG 8 23.530 7.638 -0.447 65 2HH1 ARG 8 1HH2 ARG 8 22.803 8.705 -1.601 66 1HH2 ARG 8 2HH1 ARG 8 25.255 8.177 -4.075 67 2HH2 ARG 8 1HH1 ARG 8 23.791 9.014 -3.679 68 H THR 9 H THR 9 28.657 1.764 0.745 69 HA THR 9 HA THR 9 28.620 0.500 -1.786 70 HB THR 9 HB THR 9 28.458 -1.514 -0.437 71 HG1 THR 9 HG1 THR 9 27.617 0.386 1.638 72 1HG2 THR 9 1HG2 THR 9 30.279 -1.256 0.995 73 2HG2 THR 9 2HG2 THR 9 30.444 0.273 0.099 74 3HG2 THR 9 3HG2 THR 9 29.644 0.256 1.689 75 H SER 10 H SER 10 26.480 -1.478 -0.951 76 HA SER 10 HA SER 10 24.541 -0.691 -2.616 77 1HB SER 10 1HB SER 10 24.226 -2.341 -0.070 78 2HB SER 10 2HB SER 10 23.035 -2.277 -1.353 79 HG SER 10 HG SER 10 25.529 -3.596 -1.267 80 H SER 11 H SER 11 22.104 -0.231 -1.953 81 HA SER 11 HA SER 11 22.025 2.300 -0.903 82 1HB SER 11 1HB SER 11 19.497 1.826 -0.729 83 2HB SER 11 2HB SER 11 20.231 1.641 -2.309 84 HG SER 11 HG SER 11 19.788 -0.461 -2.298 85 H SER 12 H SER 12 19.794 -0.002 0.641 86 HA SER 12 HA SER 12 19.472 -0.619 2.702 87 1HB SER 12 1HB SER 12 22.083 -1.016 2.581 88 2HB SER 12 2HB SER 12 22.175 0.391 3.622 89 HG SER 12 HG SER 12 20.256 -1.465 4.463 90 H TYR 13 H TYR 13 19.667 2.414 1.592 91 HA TYR 13 HA TYR 13 19.102 3.625 4.216 92 1HB TYR 13 1HB TYR 13 20.092 5.646 3.258 93 2HB TYR 13 2HB TYR 13 21.179 4.347 2.806 94 HD1 TYR 13 HD1 TYR 13 21.201 3.483 0.471 95 HD2 TYR 13 HD2 TYR 13 18.820 6.854 1.599 96 HE1 TYR 13 HE1 TYR 13 20.944 4.129 -1.975 97 HE2 TYR 13 HE2 TYR 13 18.571 7.488 -0.851 98 HH TYR 13 HH TYR 13 19.240 5.404 -3.328 99 H ARG 14 H ARG 14 18.318 3.611 0.680 100 HA ARG 14 HA ARG 14 15.835 4.934 1.361 101 1HB ARG 14 1HB ARG 14 17.609 4.878 -0.991 102 2HB ARG 14 2HB ARG 14 15.943 4.580 -1.445 103 1HG ARG 14 1HG ARG 14 16.750 6.897 0.366 104 2HG ARG 14 2HG ARG 14 16.693 7.048 -1.379 105 1HD ARG 14 1HD ARG 14 14.234 5.804 -0.384 106 2HD ARG 14 2HD ARG 14 14.521 7.328 0.433 107 HE ARG 14 HE ARG 14 15.009 7.797 -2.313 108 1HH1 ARG 14 2HH2 ARG 14 12.299 6.858 -0.275 109 2HH1 ARG 14 1HH2 ARG 14 11.107 7.559 -1.317 110 1HH2 ARG 14 2HH1 ARG 14 13.437 8.723 -3.689 111 2HH2 ARG 14 1HH1 ARG 14 11.758 8.627 -3.272 112 H HIS 15 H HIS 15 17.259 1.898 0.208 113 HA HIS 15 HA HIS 15 14.869 0.813 -0.834 114 1HB HIS 15 1HB HIS 15 17.546 -0.319 -0.033 115 2HB HIS 15 2HB HIS 15 16.231 -1.373 -0.513 116 HD1 HIS 15 HD1 HIS 15 18.335 -1.754 -2.404 117 HD2 HIS 15 HD2 HIS 15 15.867 1.621 -2.738 118 HE1 HIS 15 HE1 HIS 15 18.570 -0.932 -4.808 119 H ASP 16 H ASP 16 16.452 -1.208 1.552 120 HA ASP 16 HA ASP 16 15.723 -2.201 3.337 121 1HB ASP 16 1HB ASP 16 16.003 -0.164 4.546 122 2HB ASP 16 2HB ASP 16 14.624 0.592 3.773 123 HD2 ASP 16 HD2 ASP 16 12.376 -0.550 6.095 124 H GLU 17 H GLU 17 13.554 -2.797 4.663 125 HA GLU 17 HA GLU 17 11.784 -3.888 2.930 126 1HB GLU 17 1HB GLU 17 12.093 -3.672 5.757 127 2HB GLU 17 2HB GLU 17 10.431 -3.230 5.418 128 1HG GLU 17 1HG GLU 17 9.980 -5.452 5.281 129 2HG GLU 17 2HG GLU 17 10.842 -5.451 3.756 130 HE2 GLU 17 HE2 GLU 17 11.344 -7.245 6.797 131 H LYS 18 H LYS 18 12.080 -0.558 3.880 132 HA LYS 18 HA LYS 18 9.341 0.122 3.388 133 1HB LYS 18 1HB LYS 18 11.854 1.597 4.092 134 2HB LYS 18 2HB LYS 18 10.515 2.497 3.409 135 1HG LYS 18 1HG LYS 18 9.321 0.797 5.337 136 2HG LYS 18 2HG LYS 18 10.800 1.353 6.095 137 1HD LYS 18 1HD LYS 18 9.987 3.728 5.109 138 2HD LYS 18 2HD LYS 18 8.417 2.954 5.176 139 1HE LYS 18 1HE LYS 18 8.364 3.583 7.366 140 2HE LYS 18 2HE LYS 18 9.495 2.275 7.652 141 1HZ LYS 18 1HZ LYS 18 11.210 4.045 6.951 142 2HZ LYS 18 2HZ LYS 18 10.042 5.113 7.354 143 3HZ LYS 18 3HZ LYS 18 10.608 4.063 8.469 144 H ARG 19 H ARG 19 10.253 -1.429 1.258 145 HA ARG 19 HA ARG 19 10.606 0.604 -0.797 146 1HB ARG 19 1HB ARG 19 11.616 -2.238 -0.536 147 2HB ARG 19 2HB ARG 19 11.326 -1.607 -2.145 148 1HG ARG 19 1HG ARG 19 12.718 0.464 -0.791 149 2HG ARG 19 2HG ARG 19 13.519 -1.014 -0.296 150 1HD ARG 19 1HD ARG 19 14.672 -0.759 -2.268 151 2HD ARG 19 2HD ARG 19 13.259 -1.514 -2.978 152 HE ARG 19 HE ARG 19 12.689 1.254 -2.811 153 1HH1 ARG 19 2HH2 ARG 19 14.984 -0.844 -4.458 154 2HH1 ARG 19 1HH2 ARG 19 15.177 0.218 -5.813 155 1HH2 ARG 19 2HH1 ARG 19 12.944 2.655 -4.598 156 2HH2 ARG 19 1HH1 ARG 19 14.009 2.222 -5.893 157 H ASN 20 H ASN 20 8.547 -1.812 0.593 158 HA ASN 20 HA ASN 20 7.013 -1.969 -1.875 159 1HB ASN 20 1HB ASN 20 7.721 -4.138 -0.747 160 2HB ASN 20 2HB ASN 20 6.785 -3.676 0.660 161 1HD2 ASN 20 1HD2 ASN 20 5.065 -4.905 0.738 162 2HD2 ASN 20 2HD2 ASN 20 3.959 -5.243 -0.552 163 H ILE 21 H ILE 21 7.122 0.348 0.054 164 HA ILE 21 HA ILE 21 4.411 0.194 1.168 165 HB ILE 21 HB ILE 21 5.443 2.360 2.350 166 1HG1 ILE 21 1HG1 ILE 21 7.786 1.856 3.027 167 2HG1 ILE 21 2HG1 ILE 21 7.834 0.565 1.844 168 1HG2 ILE 21 1HG2 ILE 21 5.491 -0.546 3.105 169 2HG2 ILE 21 2HG2 ILE 21 6.166 0.680 4.205 170 3HG2 ILE 21 3HG2 ILE 21 4.459 0.773 3.709 171 1HD1 ILE 21 1HD1 ILE 21 8.111 2.010 0.103 172 2HD1 ILE 21 2HD1 ILE 21 6.857 3.117 0.713 173 3HD1 ILE 21 3HD1 ILE 21 8.515 3.212 1.353 174 H TYR 22 H TYR 22 6.609 1.829 -1.077 175 HA TYR 22 HA TYR 22 5.378 4.209 -1.509 176 1HB TYR 22 1HB TYR 22 6.452 4.003 -3.706 177 2HB TYR 22 2HB TYR 22 7.442 3.067 -2.603 178 HD1 TYR 22 HD1 TYR 22 6.933 0.506 -2.460 179 HD2 TYR 22 HD2 TYR 22 5.640 3.020 -5.671 180 HE1 TYR 22 HE1 TYR 22 6.660 -1.532 -3.956 181 HE2 TYR 22 HE2 TYR 22 5.371 0.974 -7.156 182 HH TYR 22 HH TYR 22 6.403 -2.205 -6.047 183 H GLN 23 H GLN 23 4.374 0.962 -2.716 184 HA GLN 23 HA GLN 23 2.315 2.046 -4.312 185 1HB GLN 23 1HB GLN 23 3.593 -0.304 -4.366 186 2HB GLN 23 2HB GLN 23 2.265 -0.807 -3.340 187 1HG GLN 23 1HG GLN 23 1.273 0.768 -5.601 188 2HG GLN 23 2HG GLN 23 2.246 -0.575 -6.168 189 1HE2 GLN 23 1HE2 GLN 23 -0.753 0.191 -5.875 190 2HE2 GLN 23 2HE2 GLN 23 -1.506 -1.263 -5.309 191 H LYS 24 H LYS 24 2.692 1.273 -0.923 192 HA LYS 24 HA LYS 24 -0.053 0.798 -0.378 193 1HB LYS 24 1HB LYS 24 2.330 0.446 0.967 194 2HB LYS 24 2HB LYS 24 1.617 1.795 1.827 195 1HG LYS 24 1HG LYS 24 -0.327 0.560 2.424 196 2HG LYS 24 2HG LYS 24 -0.084 -0.625 1.157 197 1HD LYS 24 1HD LYS 24 0.710 -1.878 2.930 198 2HD LYS 24 2HD LYS 24 2.207 -1.070 2.511 199 1HE LYS 24 1HE LYS 24 1.467 0.793 4.181 200 2HE LYS 24 2HE LYS 24 0.265 -0.352 4.743 201 1HZ LYS 24 1HZ LYS 24 2.364 -1.888 4.813 202 2HZ LYS 24 2HZ LYS 24 3.140 -0.462 4.997 203 3HZ LYS 24 3HZ LYS 24 1.983 -0.905 6.061 204 H ILE 25 H ILE 25 2.097 3.602 0.491 205 HA ILE 25 HA ILE 25 0.143 5.302 1.312 206 HB ILE 25 HB ILE 25 2.561 6.131 -0.288 207 1HG1 ILE 25 1HG1 ILE 25 3.304 6.179 2.376 208 2HG1 ILE 25 2HG1 ILE 25 2.397 4.684 2.262 209 1HG2 ILE 25 1HG2 ILE 25 1.789 8.162 0.200 210 2HG2 ILE 25 2HG2 ILE 25 0.575 7.520 1.331 211 3HG2 ILE 25 3HG2 ILE 25 2.239 7.818 1.887 212 1HD1 ILE 25 1HD1 ILE 25 4.371 3.816 1.497 213 2HD1 ILE 25 2HD1 ILE 25 3.889 4.550 -0.052 214 3HD1 ILE 25 3HD1 ILE 25 5.003 5.415 1.034 215 H ARG 26 H ARG 26 1.347 4.813 -2.071 216 HA ARG 26 HA ARG 26 -0.182 6.718 -3.252 217 1HB ARG 26 1HB ARG 26 1.210 4.242 -4.081 218 2HB ARG 26 2HB ARG 26 -0.162 4.604 -5.109 219 1HG ARG 26 1HG ARG 26 1.016 7.109 -4.831 220 2HG ARG 26 2HG ARG 26 2.414 6.054 -4.819 221 1HD ARG 26 1HD ARG 26 2.068 6.535 -7.129 222 2HD ARG 26 2HD ARG 26 1.404 4.926 -6.925 223 HE ARG 26 HE ARG 26 -0.756 5.776 -7.303 224 1HH1 ARG 26 2HH2 ARG 26 1.482 8.433 -6.747 225 2HH1 ARG 26 1HH2 ARG 26 0.346 9.656 -7.209 226 1HH2 ARG 26 2HH1 ARG 26 -2.256 7.389 -7.913 227 2HH2 ARG 26 1HH1 ARG 26 -1.795 9.058 -7.877 228 H ASP 27 H ASP 27 -1.107 3.595 -1.889 229 HA ASP 27 HA ASP 27 -3.521 3.385 -3.344 230 1HB ASP 27 1HB ASP 27 -2.002 1.679 -1.794 231 2HB ASP 27 2HB ASP 27 -3.301 2.055 -0.679 232 HD2 ASP 27 HD2 ASP 27 -5.599 0.123 -2.227 233 H HIS 28 H HIS 28 -2.357 5.151 -0.562 234 HA HIS 28 HA HIS 28 -4.943 5.382 0.674 235 1HB HIS 28 1HB HIS 28 -2.276 5.631 1.512 236 2HB HIS 28 2HB HIS 28 -2.925 7.257 1.604 237 HD1 HIS 28 HD1 HIS 28 -3.079 7.373 4.157 238 HD2 HIS 28 HD2 HIS 28 -5.142 4.111 2.515 239 HE1 HIS 28 HE1 HIS 28 -4.460 6.372 6.055 240 H ASP 29 H ASP 29 -2.932 7.069 -1.685 241 HA ASP 29 HA ASP 29 -4.213 9.553 -1.404 242 1HB ASP 29 1HB ASP 29 -1.980 8.612 -2.728 243 2HB ASP 29 2HB ASP 29 -3.091 8.805 -4.069 244 HD2 ASP 29 HD2 ASP 29 -0.798 11.345 -3.031 245 H LEU 30 H LEU 30 -4.837 6.505 -3.111 246 HA LEU 30 HA LEU 30 -6.451 7.374 -5.176 247 1HB LEU 30 1HB LEU 30 -6.405 4.838 -3.551 248 2HB LEU 30 2HB LEU 30 -7.494 5.063 -4.905 249 HG LEU 30 HG LEU 30 -4.482 5.297 -5.122 250 1HD1 LEU 30 1HD1 LEU 30 -5.938 2.924 -6.196 251 2HD1 LEU 30 2HD1 LEU 30 -4.265 3.081 -5.609 252 3HD1 LEU 30 3HD1 LEU 30 -5.610 2.990 -4.447 253 1HD2 LEU 30 1HD2 LEU 30 -4.954 4.965 -7.556 254 2HD2 LEU 30 2HD2 LEU 30 -6.687 5.140 -7.191 255 3HD2 LEU 30 3HD2 LEU 30 -5.572 6.493 -6.883 256 H LEU 31 H LEU 31 -7.028 7.214 -1.693 257 HA LEU 31 HA LEU 31 -9.872 7.690 -2.122 258 1HB LEU 31 1HB LEU 31 -8.496 7.410 0.533 259 2HB LEU 31 2HB LEU 31 -10.183 7.154 0.136 260 HG LEU 31 HG LEU 31 -8.622 5.329 -1.423 261 1HD1 LEU 31 1HD1 LEU 31 -8.075 4.927 1.510 262 2HD1 LEU 31 2HD1 LEU 31 -7.320 4.145 0.102 263 3HD1 LEU 31 3HD1 LEU 31 -6.956 5.846 0.476 264 1HD2 LEU 31 1HD2 LEU 31 -11.040 5.361 -0.172 265 2HD2 LEU 31 2HD2 LEU 31 -10.257 3.907 -0.836 266 3HD2 LEU 31 3HD2 LEU 31 -10.110 4.284 0.898 267 H ASP 32 H ASP 32 -7.413 9.566 -2.645 268 HA ASP 32 HA ASP 32 -8.342 11.715 -0.913 269 1HB ASP 32 1HB ASP 32 -5.729 10.829 -1.667 270 2HB ASP 32 2HB ASP 32 -5.969 12.364 -2.476 271 HD2 ASP 32 HD2 ASP 32 -5.990 12.108 1.505 272 H LYS 33 H LYS 33 -8.213 10.410 -4.144 273 HA LYS 33 HA LYS 33 -8.073 12.556 -5.795 274 1HB LYS 33 1HB LYS 33 -9.299 9.880 -5.873 275 2HB LYS 33 2HB LYS 33 -10.052 11.033 -6.957 276 1HG LYS 33 1HG LYS 33 -7.529 11.651 -7.572 277 2HG LYS 33 2HG LYS 33 -7.186 10.062 -6.917 278 1HD LYS 33 1HD LYS 33 -8.132 8.982 -8.702 279 2HD LYS 33 2HD LYS 33 -9.507 10.068 -8.755 280 1HE LYS 33 1HE LYS 33 -7.511 11.764 -9.602 281 2HE LYS 33 2HE LYS 33 -6.899 10.237 -10.204 282 1HZ LYS 33 1HZ LYS 33 -9.402 11.570 -10.867 283 2HZ LYS 33 2HZ LYS 33 -8.274 10.943 -11.868 284 3HZ LYS 33 3HZ LYS 33 -9.282 9.952 -11.050 285 H ARG 34 H ARG 34 -10.682 11.660 -3.554 286 HA ARG 34 HA ARG 34 -12.167 13.945 -4.571 287 1HB ARG 34 1HB ARG 34 -13.426 11.983 -2.659 288 2HB ARG 34 2HB ARG 34 -14.166 12.868 -3.978 289 1HG ARG 34 1HG ARG 34 -12.993 11.415 -5.631 290 2HG ARG 34 2HG ARG 34 -12.211 10.545 -4.325 291 1HD ARG 34 1HD ARG 34 -15.240 10.751 -4.406 292 2HD ARG 34 2HD ARG 34 -14.418 9.561 -5.395 293 HE ARG 34 HE ARG 34 -13.352 9.357 -2.764 294 1HH1 ARG 34 2HH2 ARG 34 -16.397 8.808 -4.441 295 2HH1 ARG 34 1HH2 ARG 34 -16.923 7.572 -3.347 296 1HH2 ARG 34 2HH1 ARG 34 -14.046 7.727 -1.321 297 2HH2 ARG 34 1HH1 ARG 34 -15.577 6.953 -1.561 298 H LYS 35 H LYS 35 -10.472 12.498 -1.841 299 HA LYS 35 HA LYS 35 -10.248 13.086 0.301 300 1HB LYS 35 1HB LYS 35 -8.694 14.582 -0.736 301 2HB LYS 35 2HB LYS 35 -9.956 15.721 -1.157 302 1HG LYS 35 1HG LYS 35 -9.510 16.782 0.801 303 2HG LYS 35 2HG LYS 35 -10.271 15.429 1.615 304 1HD LYS 35 1HD LYS 35 -7.779 14.369 1.181 305 2HD LYS 35 2HD LYS 35 -7.363 16.067 1.302 306 1HE LYS 35 1HE LYS 35 -7.767 16.124 3.550 307 2HE LYS 35 2HE LYS 35 -9.282 15.258 3.390 308 1HZ LYS 35 1HZ LYS 35 -7.163 14.203 4.492 309 2HZ LYS 35 2HZ LYS 35 -8.268 13.296 3.702 310 3HZ LYS 35 3HZ LYS 35 -6.879 13.723 2.957 311 H THR 36 H THR 36 -11.628 16.291 -0.118 312 HA THR 36 HA THR 36 -13.291 17.256 1.037 313 HB THR 36 HB THR 36 -14.274 16.098 -1.103 314 HG1 THR 36 HG1 THR 36 -15.217 17.781 0.446 315 1HG2 THR 36 1HG2 THR 36 -14.571 13.806 -0.279 316 2HG2 THR 36 2HG2 THR 36 -15.429 14.395 1.165 317 3HG2 THR 36 3HG2 THR 36 -16.184 14.541 -0.441 318 H VAL 37 H VAL 37 -15.559 16.433 2.374 319 HA VAL 37 HA VAL 37 -14.344 14.916 4.575 320 HB VAL 37 HB VAL 37 -14.803 17.189 5.170 321 1HG1 VAL 37 1HG1 VAL 37 -17.147 16.819 3.503 322 2HG1 VAL 37 2HG1 VAL 37 -17.597 17.477 5.094 323 3HG1 VAL 37 3HG1 VAL 37 -16.395 18.322 4.089 324 1HG2 VAL 37 1HG2 VAL 37 -15.302 15.389 6.827 325 2HG2 VAL 37 2HG2 VAL 37 -16.247 16.875 7.081 326 3HG2 VAL 37 3HG2 VAL 37 -17.009 15.454 6.327 327 H THR 38 H THR 38 -16.055 13.699 5.936 328 HA THR 38 HA THR 38 -17.840 12.332 4.041 329 HB THR 38 HB THR 38 -15.809 11.307 5.578 330 HG1 THR 38 HG1 THR 38 -17.241 9.317 5.321 331 1HG2 THR 38 1HG2 THR 38 -17.549 11.939 7.591 332 2HG2 THR 38 2HG2 THR 38 -18.228 10.370 7.094 333 3HG2 THR 38 3HG2 THR 38 -16.533 10.477 7.628 334 H ALA 39 H ALA 39 -19.532 11.052 5.835 335 HA ALA 39 HA ALA 39 -20.629 12.820 7.729 336 1HB ALA 39 1HB ALA 39 -22.634 13.530 6.550 337 2HB ALA 39 2HB ALA 39 -21.207 14.063 5.629 338 3HB ALA 39 3HB ALA 39 -22.135 12.642 5.090 339 H LEU 40 H LEU 40 -22.707 11.909 8.622 340 HA LEU 40 HA LEU 40 -23.664 10.134 9.555 341 1HB LEU 40 1HB LEU 40 -23.934 9.523 6.616 342 2HB LEU 40 2HB LEU 40 -24.714 8.560 7.855 343 HG LEU 40 HG LEU 40 -25.231 11.431 8.159 344 1HD1 LEU 40 1HD1 LEU 40 -26.237 10.063 5.649 345 2HD1 LEU 40 2HD1 LEU 40 -26.711 11.674 6.241 346 3HD1 LEU 40 3HD1 LEU 40 -25.037 11.376 5.713 347 1HD2 LEU 40 1HD2 LEU 40 -26.355 9.324 9.216 348 2HD2 LEU 40 2HD2 LEU 40 -27.343 10.738 8.774 349 3HD2 LEU 40 3HD2 LEU 40 -27.306 9.311 7.711 350 H LYS 41 H LYS 41 -21.239 9.780 10.278 351 HA LYS 41 HA LYS 41 -19.683 7.811 9.168 352 1HB LYS 41 1HB LYS 41 -18.404 8.000 11.052 353 2HB LYS 41 2HB LYS 41 -19.328 9.484 11.173 354 1HG LYS 41 1HG LYS 41 -20.917 8.430 12.734 355 2HG LYS 41 2HG LYS 41 -20.144 6.871 12.527 356 1HD LYS 41 1HD LYS 41 -19.265 7.741 14.578 357 2HD LYS 41 2HD LYS 41 -17.980 7.945 13.404 358 1HE LYS 41 1HE LYS 41 -18.902 10.335 13.016 359 2HE LYS 41 2HE LYS 41 -19.893 10.081 14.439 360 1HZ LYS 41 1HZ LYS 41 -17.461 11.034 14.554 361 2HZ LYS 41 2HZ LYS 41 -18.110 10.162 15.773 362 3HZ LYS 41 3HZ LYS 41 -17.094 9.451 14.711 363 H ALA 42 H ALA 42 -19.205 5.643 10.562 364 HA ALA 42 HA ALA 42 -19.886 3.561 10.886 365 1HB ALA 42 1HB ALA 42 -21.596 5.286 12.517 366 2HB ALA 42 2HB ALA 42 -22.399 3.751 12.105 367 3HB ALA 42 3HB ALA 42 -20.821 3.737 12.929 368 H GLY 43 H GLY 43 -21.766 1.909 10.442 369 1HA GLY 43 1HA GLY 43 -23.425 2.831 8.190 370 2HA GLY 43 2HA GLY 43 -22.341 1.472 7.975 371 H GLU 44 H GLU 44 -22.501 -0.165 10.047 372 HA GLU 44 HA GLU 44 -25.091 -0.350 11.145 373 1HB GLU 44 1HB GLU 44 -25.440 -1.163 8.750 374 2HB GLU 44 2HB GLU 44 -24.365 -2.499 9.110 375 1HG GLU 44 1HG GLU 44 -26.726 -1.942 10.931 376 2HG GLU 44 2HG GLU 44 -26.980 -2.791 9.419 377 HE2 GLU 44 HE2 GLU 44 -25.559 -3.164 12.568 378 H ASP 45 H ASP 45 -24.290 -0.752 13.184 379 HA ASP 45 HA ASP 45 -23.341 -1.791 14.832 380 1HB ASP 45 1HB ASP 45 -24.341 -3.862 14.360 381 2HB ASP 45 2HB ASP 45 -23.541 -4.015 12.809 382 HD2 ASP 45 HD2 ASP 45 -22.354 -6.234 15.518 Start of MODEL 16 1 H MET 1 H MET 1 9.118 -36.746 -3.435 2 HA MET 1 HA MET 1 8.449 -34.901 -2.500 3 1HB MET 1 1HB MET 1 11.301 -35.140 -1.489 4 2HB MET 1 2HB MET 1 10.413 -33.681 -1.096 5 1HG MET 1 1HG MET 1 8.534 -35.166 -0.193 6 2HG MET 1 2HG MET 1 9.588 -36.547 -0.429 7 1HE MET 1 1HE MET 1 9.455 -33.028 0.700 8 2HE MET 1 2HE MET 1 8.885 -33.552 2.303 9 3HE MET 1 3HE MET 1 10.527 -32.891 2.115 10 H PHE 2 H PHE 2 8.871 -34.513 -5.162 11 HA PHE 2 HA PHE 2 10.701 -32.528 -5.840 12 1HB PHE 2 1HB PHE 2 9.482 -32.592 -7.909 13 2HB PHE 2 2HB PHE 2 9.148 -34.171 -7.225 14 HD1 PHE 2 HD1 PHE 2 7.539 -32.394 -9.252 15 HD2 PHE 2 HD2 PHE 2 7.155 -33.199 -5.104 16 HE1 PHE 2 HE1 PHE 2 5.075 -31.931 -9.390 17 HE2 PHE 2 HE2 PHE 2 4.692 -32.737 -5.242 18 HZ PHE 2 HZ PHE 2 3.682 -32.109 -7.383 19 H ILE 3 H ILE 3 9.304 -30.492 -7.139 20 HA ILE 3 HA ILE 3 7.930 -29.164 -4.908 21 HB ILE 3 HB ILE 3 10.324 -28.438 -5.430 22 1HG1 ILE 3 1HG1 ILE 3 8.780 -27.175 -4.012 23 2HG1 ILE 3 2HG1 ILE 3 9.806 -26.112 -4.954 24 1HG2 ILE 3 1HG2 ILE 3 10.392 -28.374 -7.781 25 2HG2 ILE 3 2HG2 ILE 3 8.896 -27.414 -7.886 26 3HG2 ILE 3 3HG2 ILE 3 10.390 -26.671 -7.265 27 1HD1 ILE 3 1HD1 ILE 3 6.875 -26.434 -5.026 28 2HD1 ILE 3 2HD1 ILE 3 7.880 -25.074 -5.581 29 3HD1 ILE 3 3HD1 ILE 3 7.616 -26.477 -6.644 30 H TRP 4 H TRP 4 6.006 -28.139 -5.380 31 HA TRP 4 HA TRP 4 5.270 -28.020 -8.217 32 1HB TRP 4 1HB TRP 4 3.322 -29.160 -7.963 33 2HB TRP 4 2HB TRP 4 4.348 -30.044 -6.852 34 HD1 TRP 4 HD1 TRP 4 3.479 -30.199 -4.366 35 HE1 TRP 4 HE1 TRP 4 1.504 -29.205 -2.925 36 HE3 TRP 4 HE3 TRP 4 1.921 -26.848 -7.858 37 HZ2 TRP 4 HZ2 TRP 4 -0.445 -27.174 -3.398 38 HZ3 TRP 4 HZ3 TRP 4 -0.025 -25.398 -7.289 39 HH2 TRP 4 HH2 TRP 4 -1.197 -25.521 -5.148 40 H THR 5 H THR 5 3.959 -26.200 -8.738 41 HA THR 5 HA THR 5 3.020 -24.502 -6.598 42 HB THR 5 HB THR 5 4.407 -22.576 -7.294 43 HG1 THR 5 HG1 THR 5 5.962 -23.016 -9.024 44 1HG2 THR 5 1HG2 THR 5 6.640 -23.333 -6.647 45 2HG2 THR 5 2HG2 THR 5 5.468 -24.244 -5.664 46 3HG2 THR 5 3HG2 THR 5 6.241 -25.016 -7.069 47 H SER 6 H SER 6 3.205 -22.268 -8.790 48 HA SER 6 HA SER 6 1.325 -23.334 -10.679 49 1HB SER 6 1HB SER 6 0.568 -21.494 -8.446 50 2HB SER 6 2HB SER 6 -0.069 -21.077 -10.024 51 HG SER 6 HG SER 6 -1.495 -22.651 -9.824 52 H GLY 7 H GLY 7 3.615 -22.752 -11.663 53 1HA GLY 7 1HA GLY 7 4.954 -21.348 -12.825 54 2HA GLY 7 2HA GLY 7 3.435 -20.753 -13.466 55 H ARG 8 H ARG 8 5.052 -20.487 -10.214 56 HA ARG 8 HA ARG 8 4.103 -18.012 -9.654 57 1HB ARG 8 1HB ARG 8 5.770 -17.930 -7.912 58 2HB ARG 8 2HB ARG 8 5.387 -19.627 -8.126 59 1HG ARG 8 1HG ARG 8 7.394 -19.655 -9.816 60 2HG ARG 8 2HG ARG 8 7.847 -18.124 -9.093 61 1HD ARG 8 1HD ARG 8 7.397 -19.647 -6.831 62 2HD ARG 8 2HD ARG 8 7.973 -20.874 -7.941 63 HE ARG 8 HE ARG 8 9.598 -18.423 -7.920 64 1HH1 ARG 8 2HH2 ARG 8 9.120 -21.610 -6.507 65 2HH1 ARG 8 1HH2 ARG 8 10.752 -21.744 -5.941 66 1HH2 ARG 8 2HH1 ARG 8 11.751 -18.600 -7.175 67 2HH2 ARG 8 1HH1 ARG 8 12.259 -20.021 -6.324 68 H THR 9 H THR 9 4.746 -15.868 -10.107 69 HA THR 9 HA THR 9 6.592 -15.579 -12.323 70 HB THR 9 HB THR 9 5.108 -13.340 -10.904 71 HG1 THR 9 HG1 THR 9 4.158 -15.411 -12.758 72 1HG2 THR 9 1HG2 THR 9 4.650 -13.315 -13.680 73 2HG2 THR 9 2HG2 THR 9 5.825 -12.294 -12.816 74 3HG2 THR 9 3HG2 THR 9 6.347 -13.834 -13.540 75 H SER 10 H SER 10 7.427 -12.872 -11.660 76 HA SER 10 HA SER 10 9.665 -13.651 -10.063 77 1HB SER 10 1HB SER 10 10.084 -12.329 -12.061 78 2HB SER 10 2HB SER 10 8.954 -11.091 -11.551 79 HG SER 10 HG SER 10 10.382 -10.674 -9.700 80 H SER 11 H SER 11 10.476 -12.040 -8.309 81 HA SER 11 HA SER 11 8.490 -11.844 -6.376 82 1HB SER 11 1HB SER 11 11.304 -10.713 -6.588 83 2HB SER 11 2HB SER 11 10.310 -10.434 -5.172 84 HG SER 11 HG SER 11 10.849 -12.378 -4.483 85 H SER 12 H SER 12 10.508 -8.954 -6.847 86 HA SER 12 HA SER 12 10.060 -6.876 -7.308 87 1HB SER 12 1HB SER 12 7.311 -7.035 -8.319 88 2HB SER 12 2HB SER 12 8.757 -6.454 -9.119 89 HG SER 12 HG SER 12 7.577 -9.031 -9.152 90 H TYR 13 H TYR 13 8.677 -8.696 -5.021 91 HA TYR 13 HA TYR 13 6.994 -6.507 -4.001 92 1HB TYR 13 1HB TYR 13 5.668 -8.291 -2.990 93 2HB TYR 13 2HB TYR 13 5.997 -8.846 -4.619 94 HD1 TYR 13 HD1 TYR 13 7.775 -10.580 -5.010 95 HD2 TYR 13 HD2 TYR 13 6.503 -9.471 -1.078 96 HE1 TYR 13 HE1 TYR 13 8.801 -12.708 -4.069 97 HE2 TYR 13 HE2 TYR 13 7.534 -11.602 -0.151 98 HH TYR 13 HH TYR 13 8.074 -13.874 -1.045 99 H ARG 14 H ARG 14 9.301 -9.164 -3.146 100 HA ARG 14 HA ARG 14 9.698 -7.852 -0.604 101 1HB ARG 14 1HB ARG 14 9.967 -10.600 -1.641 102 2HB ARG 14 2HB ARG 14 11.385 -10.117 -0.731 103 1HG ARG 14 1HG ARG 14 8.600 -9.620 0.379 104 2HG ARG 14 2HG ARG 14 9.358 -11.191 0.553 105 1HD ARG 14 1HD ARG 14 10.964 -8.751 1.324 106 2HD ARG 14 2HD ARG 14 9.683 -9.267 2.402 107 HE ARG 14 HE ARG 14 11.484 -11.430 1.534 108 1HH1 ARG 14 2HH2 ARG 14 10.828 -8.972 3.966 109 2HH1 ARG 14 1HH2 ARG 14 11.775 -9.749 5.190 110 1HH2 ARG 14 2HH1 ARG 14 12.733 -12.455 3.149 111 2HH2 ARG 14 1HH1 ARG 14 12.866 -11.744 4.723 112 H HIS 15 H HIS 15 11.242 -8.530 -3.731 113 HA HIS 15 HA HIS 15 13.878 -8.228 -3.160 114 1HB HIS 15 1HB HIS 15 12.186 -8.132 -5.462 115 2HB HIS 15 2HB HIS 15 13.314 -6.796 -5.573 116 HD1 HIS 15 HD1 HIS 15 15.949 -7.477 -5.390 117 HD2 HIS 15 HD2 HIS 15 13.240 -10.601 -6.101 118 HE1 HIS 15 HE1 HIS 15 17.331 -9.439 -6.256 119 H ASP 16 H ASP 16 11.298 -5.807 -3.089 120 HA ASP 16 HA ASP 16 13.264 -3.703 -2.865 121 1HB ASP 16 1HB ASP 16 10.668 -2.655 -2.412 122 2HB ASP 16 2HB ASP 16 11.620 -2.518 -3.877 123 HD2 ASP 16 HD2 ASP 16 8.768 -5.348 -3.782 124 H GLU 17 H GLU 17 13.487 -2.455 -0.895 125 HA GLU 17 HA GLU 17 12.600 -3.870 1.433 126 1HB GLU 17 1HB GLU 17 14.628 -1.777 0.794 127 2HB GLU 17 2HB GLU 17 13.930 -1.673 2.398 128 1HG GLU 17 1HG GLU 17 14.401 -4.287 2.476 129 2HG GLU 17 2HG GLU 17 15.521 -3.942 1.172 130 HE2 GLU 17 HE2 GLU 17 15.033 -2.393 4.508 131 H LYS 18 H LYS 18 12.910 -0.323 1.436 132 HA LYS 18 HA LYS 18 10.235 -0.148 2.511 133 1HB LYS 18 1HB LYS 18 12.624 1.660 2.355 134 2HB LYS 18 2HB LYS 18 11.041 2.366 2.616 135 1HG LYS 18 1HG LYS 18 11.044 0.192 4.380 136 2HG LYS 18 2HG LYS 18 12.704 0.751 4.454 137 1HD LYS 18 1HD LYS 18 10.370 2.692 4.683 138 2HD LYS 18 2HD LYS 18 10.982 1.835 6.084 139 1HE LYS 18 1HE LYS 18 13.347 2.752 5.151 140 2HE LYS 18 2HE LYS 18 12.317 3.972 4.429 141 1HZ LYS 18 1HZ LYS 18 13.007 4.630 6.606 142 2HZ LYS 18 2HZ LYS 18 11.393 4.381 6.623 143 3HZ LYS 18 3HZ LYS 18 12.397 3.275 7.283 144 H ARG 19 H ARG 19 11.290 -0.574 -0.520 145 HA ARG 19 HA ARG 19 10.047 1.647 -1.770 146 1HB ARG 19 1HB ARG 19 11.480 -0.844 -2.627 147 2HB ARG 19 2HB ARG 19 10.325 -0.208 -3.781 148 1HG ARG 19 1HG ARG 19 11.676 2.092 -2.929 149 2HG ARG 19 2HG ARG 19 12.946 0.884 -2.952 150 1HD ARG 19 1HD ARG 19 12.941 1.778 -5.166 151 2HD ARG 19 2HD ARG 19 12.106 0.246 -5.319 152 HE ARG 19 HE ARG 19 10.045 2.012 -4.797 153 1HH1 ARG 19 2HH2 ARG 19 12.651 1.963 -7.161 154 2HH1 ARG 19 1HH2 ARG 19 11.753 2.834 -8.359 155 1HH2 ARG 19 2HH1 ARG 19 8.860 3.162 -6.376 156 2HH2 ARG 19 1HH1 ARG 19 9.582 3.521 -7.909 157 H ASN 20 H ASN 20 8.946 -1.223 -0.273 158 HA ASN 20 HA ASN 20 6.667 -1.441 -2.047 159 1HB ASN 20 1HB ASN 20 8.031 -3.482 -1.161 160 2HB ASN 20 2HB ASN 20 7.285 -3.173 0.394 161 1HD2 ASN 20 1HD2 ASN 20 6.003 -4.896 0.584 162 2HD2 ASN 20 2HD2 ASN 20 4.690 -5.303 -0.470 163 H ILE 21 H ILE 21 7.272 0.807 -0.029 164 HA ILE 21 HA ILE 21 5.305 0.360 2.042 165 HB ILE 21 HB ILE 21 6.015 2.570 2.830 166 1HG1 ILE 21 1HG1 ILE 21 8.205 3.409 1.623 167 2HG1 ILE 21 2HG1 ILE 21 7.521 2.589 0.233 168 1HG2 ILE 21 1HG2 ILE 21 7.934 0.330 2.375 169 2HG2 ILE 21 2HG2 ILE 21 8.562 1.855 3.046 170 3HG2 ILE 21 3HG2 ILE 21 7.261 0.980 3.889 171 1HD1 ILE 21 1HD1 ILE 21 6.280 4.455 -0.118 172 2HD1 ILE 21 2HD1 ILE 21 5.336 3.994 1.319 173 3HD1 ILE 21 3HD1 ILE 21 6.710 5.115 1.478 174 H TYR 22 H TYR 22 5.842 2.667 -0.712 175 HA TYR 22 HA TYR 22 3.525 4.083 -0.532 176 1HB TYR 22 1HB TYR 22 4.061 4.610 -2.834 177 2HB TYR 22 2HB TYR 22 5.603 4.112 -2.166 178 HD1 TYR 22 HD1 TYR 22 3.343 3.656 -4.832 179 HD2 TYR 22 HD2 TYR 22 6.143 1.517 -2.406 180 HE1 TYR 22 HE1 TYR 22 3.556 1.875 -6.634 181 HE2 TYR 22 HE2 TYR 22 6.347 -0.256 -4.216 182 HH TYR 22 HH TYR 22 5.027 0.220 -7.361 183 H GLN 23 H GLN 23 4.020 0.786 -1.873 184 HA GLN 23 HA GLN 23 1.883 0.344 -3.325 185 1HB GLN 23 1HB GLN 23 3.690 -1.253 -1.984 186 2HB GLN 23 2HB GLN 23 2.190 -1.726 -1.212 187 1HG GLN 23 1HG GLN 23 2.077 -1.490 -4.192 188 2HG GLN 23 2HG GLN 23 3.089 -2.782 -3.579 189 1HE2 GLN 23 1HE2 GLN 23 1.091 -3.634 -4.971 190 2HE2 GLN 23 2HE2 GLN 23 -0.213 -4.272 -4.028 191 H LYS 24 H LYS 24 1.867 1.046 0.152 192 HA LYS 24 HA LYS 24 -1.016 0.543 0.225 193 1HB LYS 24 1HB LYS 24 1.044 -0.088 2.015 194 2HB LYS 24 2HB LYS 24 0.222 1.270 2.758 195 1HG LYS 24 1HG LYS 24 -1.929 0.135 2.658 196 2HG LYS 24 2HG LYS 24 -1.284 -1.133 1.634 197 1HD LYS 24 1HD LYS 24 -1.124 -2.247 3.649 198 2HD LYS 24 2HD LYS 24 0.422 -1.425 3.711 199 1HE LYS 24 1HE LYS 24 -0.219 -0.124 5.474 200 2HE LYS 24 2HE LYS 24 -1.746 0.291 4.721 201 1HZ LYS 24 1HZ LYS 24 -1.478 -1.329 6.818 202 2HZ LYS 24 2HZ LYS 24 -2.777 -1.314 5.830 203 3HZ LYS 24 3HZ LYS 24 -1.595 -2.419 5.607 204 H ILE 25 H ILE 25 1.278 2.955 1.691 205 HA ILE 25 HA ILE 25 -0.489 4.945 2.126 206 HB ILE 25 HB ILE 25 2.300 5.382 1.066 207 1HG1 ILE 25 1HG1 ILE 25 2.525 5.315 3.806 208 2HG1 ILE 25 2HG1 ILE 25 1.388 4.014 3.511 209 1HG2 ILE 25 1HG2 ILE 25 1.103 7.438 1.324 210 2HG2 ILE 25 2HG2 ILE 25 0.508 6.957 2.931 211 3HG2 ILE 25 3HG2 ILE 25 2.240 7.288 2.685 212 1HD1 ILE 25 1HD1 ILE 25 3.132 2.703 2.908 213 2HD1 ILE 25 2HD1 ILE 25 3.373 3.751 1.490 214 3HD1 ILE 25 3HD1 ILE 25 4.249 4.085 3.002 215 H ARG 26 H ARG 26 1.549 4.748 -0.883 216 HA ARG 26 HA ARG 26 0.294 6.732 -2.213 217 1HB ARG 26 1HB ARG 26 2.021 4.455 -2.879 218 2HB ARG 26 2HB ARG 26 0.900 4.774 -4.188 219 1HG ARG 26 1HG ARG 26 1.762 7.341 -3.421 220 2HG ARG 26 2HG ARG 26 3.210 6.364 -3.277 221 1HD ARG 26 1HD ARG 26 3.353 6.900 -5.536 222 2HD ARG 26 2HD ARG 26 2.417 5.424 -5.665 223 HE ARG 26 HE ARG 26 0.447 7.313 -5.366 224 1HH1 ARG 26 2HH2 ARG 26 3.238 7.119 -7.501 225 2HH1 ARG 26 1HH2 ARG 26 2.489 8.027 -8.772 226 1HH2 ARG 26 2HH1 ARG 26 -0.541 8.510 -7.043 227 2HH2 ARG 26 1HH1 ARG 26 0.325 8.823 -8.510 228 H ASP 27 H ASP 27 -0.874 3.513 -1.440 229 HA ASP 27 HA ASP 27 -2.739 3.340 -3.539 230 1HB ASP 27 1HB ASP 27 -1.755 1.646 -1.546 231 2HB ASP 27 2HB ASP 27 -3.402 1.926 -1.018 232 HD2 ASP 27 HD2 ASP 27 -1.679 -0.170 -2.994 233 H HIS 28 H HIS 28 -2.574 4.849 -0.339 234 HA HIS 28 HA HIS 28 -5.431 5.149 -0.142 235 1HB HIS 28 1HB HIS 28 -3.304 5.062 1.671 236 2HB HIS 28 2HB HIS 28 -3.834 6.731 1.712 237 HD1 HIS 28 HD1 HIS 28 -5.010 6.688 3.972 238 HD2 HIS 28 HD2 HIS 28 -6.375 3.712 1.350 239 HE1 HIS 28 HE1 HIS 28 -7.068 5.655 5.072 240 H ASP 29 H ASP 29 -2.681 6.813 -1.503 241 HA ASP 29 HA ASP 29 -3.669 9.410 -1.292 242 1HB ASP 29 1HB ASP 29 -1.320 8.310 -2.105 243 2HB ASP 29 2HB ASP 29 -2.031 8.599 -3.680 244 HD2 ASP 29 HD2 ASP 29 0.027 11.360 -2.779 245 H LEU 30 H LEU 30 -4.206 6.662 -3.498 246 HA LEU 30 HA LEU 30 -5.260 8.060 -5.673 247 1HB LEU 30 1HB LEU 30 -5.613 5.248 -4.653 248 2HB LEU 30 2HB LEU 30 -6.383 5.817 -6.121 249 HG LEU 30 HG LEU 30 -3.407 6.100 -5.782 250 1HD1 LEU 30 1HD1 LEU 30 -4.916 3.578 -6.470 251 2HD1 LEU 30 2HD1 LEU 30 -3.244 3.868 -7.007 252 3HD1 LEU 30 3HD1 LEU 30 -3.624 3.817 -5.269 253 1HD2 LEU 30 1HD2 LEU 30 -4.709 5.397 -8.361 254 2HD2 LEU 30 2HD2 LEU 30 -5.017 7.025 -7.710 255 3HD2 LEU 30 3HD2 LEU 30 -3.347 6.490 -8.014 256 H LEU 31 H LEU 31 -6.534 7.300 -2.481 257 HA LEU 31 HA LEU 31 -9.268 7.603 -3.212 258 1HB LEU 31 1HB LEU 31 -7.704 7.314 -0.688 259 2HB LEU 31 2HB LEU 31 -9.333 7.952 -0.587 260 HG LEU 31 HG LEU 31 -9.393 5.618 -2.247 261 1HD1 LEU 31 1HD1 LEU 31 -8.764 4.121 -0.099 262 2HD1 LEU 31 2HD1 LEU 31 -7.624 4.487 -1.416 263 3HD1 LEU 31 3HD1 LEU 31 -7.578 5.435 0.090 264 1HD2 LEU 31 1HD2 LEU 31 -10.442 5.946 0.572 265 2HD2 LEU 31 2HD2 LEU 31 -11.223 6.649 -0.865 266 3HD2 LEU 31 3HD2 LEU 31 -11.060 4.883 -0.716 267 H ASP 32 H ASP 32 -8.673 9.620 -4.571 268 HA ASP 32 HA ASP 32 -8.685 11.935 -2.804 269 1HB ASP 32 1HB ASP 32 -7.276 11.302 -5.267 270 2HB ASP 32 2HB ASP 32 -8.292 12.702 -5.542 271 HD2 ASP 32 HD2 ASP 32 -5.881 14.470 -4.964 272 H LYS 33 H LYS 33 -10.504 9.945 -4.969 273 HA LYS 33 HA LYS 33 -12.071 11.579 -6.433 274 1HB LYS 33 1HB LYS 33 -12.338 8.918 -5.212 275 2HB LYS 33 2HB LYS 33 -13.875 9.705 -5.509 276 1HG LYS 33 1HG LYS 33 -12.788 10.282 -7.875 277 2HG LYS 33 2HG LYS 33 -11.721 8.945 -7.494 278 1HD LYS 33 1HD LYS 33 -13.332 7.429 -8.000 279 2HD LYS 33 2HD LYS 33 -14.457 8.175 -6.883 280 1HE LYS 33 1HE LYS 33 -13.955 9.544 -9.530 281 2HE LYS 33 2HE LYS 33 -14.955 8.105 -9.518 282 1HZ LYS 33 1HZ LYS 33 -16.334 9.154 -7.849 283 2HZ LYS 33 2HZ LYS 33 -15.406 10.497 -7.871 284 3HZ LYS 33 3HZ LYS 33 -16.261 10.075 -9.196 285 H ARG 34 H ARG 34 -12.044 11.184 -2.902 286 HA ARG 34 HA ARG 34 -14.279 13.043 -2.804 287 1HB ARG 34 1HB ARG 34 -13.355 11.627 -0.316 288 2HB ARG 34 2HB ARG 34 -14.984 12.044 -0.812 289 1HG ARG 34 1HG ARG 34 -14.982 10.231 -2.493 290 2HG ARG 34 2HG ARG 34 -13.308 9.859 -2.134 291 1HD ARG 34 1HD ARG 34 -15.289 9.829 0.147 292 2HD ARG 34 2HD ARG 34 -15.318 8.494 -0.988 293 HE ARG 34 HE ARG 34 -12.619 9.130 -0.049 294 1HH1 ARG 34 2HH2 ARG 34 -15.556 7.325 0.658 295 2HH1 ARG 34 1HH2 ARG 34 -14.752 6.162 1.659 296 1HH2 ARG 34 2HH1 ARG 34 -11.559 7.597 1.272 297 2HH2 ARG 34 1HH1 ARG 34 -12.463 6.318 2.011 298 H LYS 35 H LYS 35 -10.881 12.505 -2.144 299 HA LYS 35 HA LYS 35 -9.283 13.739 -1.250 300 1HB LYS 35 1HB LYS 35 -9.867 15.343 -2.931 301 2HB LYS 35 2HB LYS 35 -11.217 15.946 -1.991 302 1HG LYS 35 1HG LYS 35 -9.378 17.510 -1.725 303 2HG LYS 35 2HG LYS 35 -9.594 16.680 -0.197 304 1HD LYS 35 1HD LYS 35 -7.783 15.004 -1.072 305 2HD LYS 35 2HD LYS 35 -7.433 16.218 -2.286 306 1HE LYS 35 1HE LYS 35 -7.598 17.186 0.552 307 2HE LYS 35 2HE LYS 35 -6.226 16.171 0.156 308 1HZ LYS 35 1HZ LYS 35 -6.009 18.637 -0.222 309 2HZ LYS 35 2HZ LYS 35 -5.519 17.667 -1.440 310 3HZ LYS 35 3HZ LYS 35 -6.954 18.440 -1.539 311 H THR 36 H THR 36 -8.612 15.070 0.678 312 HA THR 36 HA THR 36 -9.861 14.121 2.974 313 HB THR 36 HB THR 36 -8.182 16.654 2.865 314 HG1 THR 36 HG1 THR 36 -6.410 14.927 2.691 315 1HG2 THR 36 1HG2 THR 36 -8.862 14.609 4.844 316 2HG2 THR 36 2HG2 THR 36 -7.107 14.622 4.548 317 3HG2 THR 36 3HG2 THR 36 -7.933 16.110 5.071 318 H VAL 37 H VAL 37 -10.845 15.404 4.761 319 HA VAL 37 HA VAL 37 -13.115 16.757 3.733 320 HB VAL 37 HB VAL 37 -13.217 15.332 5.684 321 1HG1 VAL 37 1HG1 VAL 37 -11.046 17.125 6.665 322 2HG1 VAL 37 2HG1 VAL 37 -12.223 16.539 7.864 323 3HG1 VAL 37 3HG1 VAL 37 -11.285 15.377 6.896 324 1HG2 VAL 37 1HG2 VAL 37 -13.723 18.199 6.540 325 2HG2 VAL 37 2HG2 VAL 37 -14.781 17.280 5.441 326 3HG2 VAL 37 3HG2 VAL 37 -14.547 16.731 7.118 327 H THR 38 H THR 38 -13.781 18.972 4.728 328 HA THR 38 HA THR 38 -12.113 20.924 3.741 329 HB THR 38 HB THR 38 -13.990 21.443 6.067 330 HG1 THR 38 HG1 THR 38 -15.486 20.283 4.925 331 1HG2 THR 38 1HG2 THR 38 -13.279 23.459 4.954 332 2HG2 THR 38 2HG2 THR 38 -13.389 22.698 3.349 333 3HG2 THR 38 3HG2 THR 38 -14.873 23.090 4.252 334 H ALA 39 H ALA 39 -10.838 22.602 4.755 335 HA ALA 39 HA ALA 39 -8.892 21.552 6.439 336 1HB ALA 39 1HB ALA 39 -7.857 23.488 5.906 337 2HB ALA 39 2HB ALA 39 -9.274 23.828 4.885 338 3HB ALA 39 3HB ALA 39 -9.196 24.473 6.542 339 H LEU 40 H LEU 40 -8.341 23.138 8.545 340 HA LEU 40 HA LEU 40 -10.731 22.835 10.226 341 1HB LEU 40 1HB LEU 40 -7.801 22.444 10.789 342 2HB LEU 40 2HB LEU 40 -8.958 22.710 12.077 343 HG LEU 40 HG LEU 40 -9.597 20.552 10.124 344 1HD1 LEU 40 1HD1 LEU 40 -7.861 19.213 10.506 345 2HD1 LEU 40 2HD1 LEU 40 -7.022 20.640 11.161 346 3HD1 LEU 40 3HD1 LEU 40 -7.892 19.539 12.256 347 1HD2 LEU 40 1HD2 LEU 40 -11.203 20.780 11.792 348 2HD2 LEU 40 2HD2 LEU 40 -10.194 19.435 12.376 349 3HD2 LEU 40 3HD2 LEU 40 -9.991 21.064 13.064 350 H LYS 41 H LYS 41 -11.194 25.042 9.127 351 HA LYS 41 HA LYS 41 -9.667 27.272 9.602 352 1HB LYS 41 1HB LYS 41 -11.462 28.453 8.824 353 2HB LYS 41 2HB LYS 41 -11.891 26.855 8.251 354 1HG LYS 41 1HG LYS 41 -13.365 26.496 10.193 355 2HG LYS 41 2HG LYS 41 -12.849 28.009 10.911 356 1HD LYS 41 1HD LYS 41 -14.779 28.771 9.890 357 2HD LYS 41 2HD LYS 41 -13.678 29.003 8.547 358 1HE LYS 41 1HE LYS 41 -14.790 26.254 8.689 359 2HE LYS 41 2HE LYS 41 -16.016 27.487 8.472 360 1HZ LYS 41 1HZ LYS 41 -13.599 27.520 6.835 361 2HZ LYS 41 2HZ LYS 41 -14.854 26.555 6.436 362 3HZ LYS 41 3HZ LYS 41 -15.061 28.173 6.512 363 H ALA 42 H ALA 42 -10.670 29.176 11.114 364 HA ALA 42 HA ALA 42 -11.667 28.366 13.618 365 1HB ALA 42 1HB ALA 42 -9.109 27.579 13.442 366 2HB ALA 42 2HB ALA 42 -8.826 29.275 13.902 367 3HB ALA 42 3HB ALA 42 -9.797 28.218 14.954 368 H GLY 43 H GLY 43 -13.014 30.108 13.743 369 1HA GLY 43 1HA GLY 43 -11.752 32.772 13.491 370 2HA GLY 43 2HA GLY 43 -13.319 32.403 12.798 371 H GLU 44 H GLU 44 -11.546 32.138 15.963 372 HA GLU 44 HA GLU 44 -12.305 32.187 18.024 373 1HB GLU 44 1HB GLU 44 -12.165 34.640 17.167 374 2HB GLU 44 2HB GLU 44 -13.918 34.614 17.161 375 1HG GLU 44 1HG GLU 44 -13.904 33.960 19.587 376 2HG GLU 44 2HG GLU 44 -12.153 34.023 19.586 377 HE2 GLU 44 HE2 GLU 44 -14.733 36.260 20.289 378 H ASP 45 H ASP 45 -13.582 30.253 18.107 379 HA ASP 45 HA ASP 45 -16.324 30.805 18.611 380 1HB ASP 45 1HB ASP 45 -17.026 28.850 17.045 381 2HB ASP 45 2HB ASP 45 -16.711 30.410 16.311 382 HD2 ASP 45 HD2 ASP 45 -15.263 27.041 15.914 Start of MODEL 17 1 H MET 1 H MET 1 12.494 26.795 6.691 2 HA MET 1 HA MET 1 12.141 24.953 7.896 3 1HB MET 1 1HB MET 1 10.176 23.742 6.960 4 2HB MET 1 2HB MET 1 10.042 25.453 6.606 5 1HG MET 1 1HG MET 1 11.355 24.731 4.364 6 2HG MET 1 2HG MET 1 10.653 23.168 4.732 7 1HE MET 1 1HE MET 1 7.090 23.340 4.420 8 2HE MET 1 2HE MET 1 8.432 22.822 5.468 9 3HE MET 1 3HE MET 1 7.414 24.203 5.943 10 H PHE 2 H PHE 2 11.953 22.420 7.934 11 HA PHE 2 HA PHE 2 13.021 20.499 7.750 12 1HB PHE 2 1HB PHE 2 11.905 20.472 5.540 13 2HB PHE 2 2HB PHE 2 13.112 21.549 4.865 14 HD1 PHE 2 HD1 PHE 2 12.985 18.222 6.568 15 HD2 PHE 2 HD2 PHE 2 14.701 20.600 3.501 16 HE1 PHE 2 HE1 PHE 2 14.308 16.242 5.773 17 HE2 PHE 2 HE2 PHE 2 16.024 18.620 2.707 18 HZ PHE 2 HZ PHE 2 15.812 16.465 3.852 19 H ILE 3 H ILE 3 15.159 19.362 7.151 20 HA ILE 3 HA ILE 3 17.286 21.280 7.647 21 HB ILE 3 HB ILE 3 16.995 19.331 9.114 22 1HG1 ILE 3 1HG1 ILE 3 19.410 18.517 8.923 23 2HG1 ILE 3 2HG1 ILE 3 19.554 19.552 7.516 24 1HG2 ILE 3 1HG2 ILE 3 17.633 17.084 8.286 25 2HG2 ILE 3 2HG2 ILE 3 16.132 17.703 7.556 26 3HG2 ILE 3 3HG2 ILE 3 17.650 17.729 6.627 27 1HD1 ILE 3 1HD1 ILE 3 20.302 20.666 9.644 28 2HD1 ILE 3 2HD1 ILE 3 18.977 21.536 8.836 29 3HD1 ILE 3 3HD1 ILE 3 18.639 20.525 10.262 30 H TRP 4 H TRP 4 18.649 21.977 6.089 31 HA TRP 4 HA TRP 4 18.496 20.596 3.511 32 1HB TRP 4 1HB TRP 4 19.309 22.634 2.537 33 2HB TRP 4 2HB TRP 4 17.900 22.963 3.526 34 HD1 TRP 4 HD1 TRP 4 18.251 24.613 5.616 35 HE1 TRP 4 HE1 TRP 4 20.189 26.173 6.497 36 HE3 TRP 4 HE3 TRP 4 21.889 22.654 2.652 37 HZ2 TRP 4 HZ2 TRP 4 22.963 26.408 5.870 38 HZ3 TRP 4 HZ3 TRP 4 24.184 23.605 2.849 39 HH2 TRP 4 HH2 TRP 4 24.748 25.418 4.388 40 H THR 5 H THR 5 20.483 21.254 6.329 41 HA THR 5 HA THR 5 23.029 21.039 5.212 42 HB THR 5 HB THR 5 23.656 20.506 7.575 43 HG1 THR 5 HG1 THR 5 22.013 19.704 8.888 44 1HG2 THR 5 1HG2 THR 5 23.035 22.562 8.441 45 2HG2 THR 5 2HG2 THR 5 22.441 22.853 6.788 46 3HG2 THR 5 3HG2 THR 5 21.316 22.308 8.055 47 H SER 6 H SER 6 20.861 18.466 6.553 48 HA SER 6 HA SER 6 22.678 16.559 5.321 49 1HB SER 6 1HB SER 6 21.675 14.883 6.807 50 2HB SER 6 2HB SER 6 22.229 16.256 7.744 51 HG SER 6 HG SER 6 20.216 16.045 8.546 52 H GLY 7 H GLY 7 21.622 17.358 3.203 53 1HA GLY 7 1HA GLY 7 18.952 17.023 2.574 54 2HA GLY 7 2HA GLY 7 20.291 16.909 1.448 55 H ARG 8 H ARG 8 20.780 14.937 0.531 56 HA ARG 8 HA ARG 8 19.106 12.763 1.347 57 1HB ARG 8 1HB ARG 8 20.914 13.344 -1.012 58 2HB ARG 8 2HB ARG 8 20.474 11.678 -0.692 59 1HG ARG 8 1HG ARG 8 18.096 12.183 -0.879 60 2HG ARG 8 2HG ARG 8 18.404 13.908 -0.909 61 1HD ARG 8 1HD ARG 8 19.983 12.880 -3.022 62 2HD ARG 8 2HD ARG 8 18.488 11.972 -3.118 63 HE ARG 8 HE ARG 8 17.363 13.925 -3.762 64 1HH1 ARG 8 2HH2 ARG 8 20.479 14.787 -2.374 65 2HH1 ARG 8 1HH2 ARG 8 20.355 16.458 -2.809 66 1HH2 ARG 8 2HH1 ARG 8 17.198 16.131 -4.336 67 2HH2 ARG 8 1HH1 ARG 8 18.476 17.228 -3.933 68 H THR 9 H THR 9 19.863 10.755 2.197 69 HA THR 9 HA THR 9 22.671 10.813 3.081 70 HB THR 9 HB THR 9 21.600 9.065 4.764 71 HG1 THR 9 HG1 THR 9 19.272 9.527 4.909 72 1HG2 THR 9 1HG2 THR 9 20.663 10.922 6.192 73 2HG2 THR 9 2HG2 THR 9 22.273 11.320 5.548 74 3HG2 THR 9 3HG2 THR 9 20.818 12.028 4.806 75 H SER 10 H SER 10 22.968 8.129 3.769 76 HA SER 10 HA SER 10 23.877 7.078 1.461 77 1HB SER 10 1HB SER 10 23.955 4.907 2.653 78 2HB SER 10 2HB SER 10 24.482 6.222 3.685 79 HG SER 10 HG SER 10 22.456 6.209 4.755 80 H SER 11 H SER 11 23.027 4.677 0.691 81 HA SER 11 HA SER 11 20.580 5.251 -0.581 82 1HB SER 11 1HB SER 11 22.739 3.322 -0.814 83 2HB SER 11 2HB SER 11 21.205 2.478 -0.870 84 HG SER 11 HG SER 11 20.711 4.472 -2.442 85 H SER 12 H SER 12 21.269 4.261 2.547 86 HA SER 12 HA SER 12 19.151 2.332 2.728 87 1HB SER 12 1HB SER 12 21.172 3.479 4.676 88 2HB SER 12 2HB SER 12 19.811 2.546 5.264 89 HG SER 12 HG SER 12 21.783 1.275 4.845 90 H TYR 13 H TYR 13 18.201 4.804 1.766 91 HA TYR 13 HA TYR 13 16.826 5.901 4.126 92 1HB TYR 13 1HB TYR 13 16.873 8.005 2.896 93 2HB TYR 13 2HB TYR 13 18.470 7.324 2.662 94 HD1 TYR 13 HD1 TYR 13 15.467 8.480 1.048 95 HD2 TYR 13 HD2 TYR 13 18.955 6.066 0.488 96 HE1 TYR 13 HE1 TYR 13 15.163 8.612 -1.473 97 HE2 TYR 13 HE2 TYR 13 18.639 6.207 -2.030 98 HH TYR 13 HH TYR 13 15.807 7.176 -3.439 99 H ARG 14 H ARG 14 16.529 5.049 0.618 100 HA ARG 14 HA ARG 14 13.659 5.117 0.973 101 1HB ARG 14 1HB ARG 14 15.521 5.530 -1.280 102 2HB ARG 14 2HB ARG 14 14.215 4.444 -1.712 103 1HG ARG 14 1HG ARG 14 13.630 7.055 -0.273 104 2HG ARG 14 2HG ARG 14 13.866 7.034 -2.009 105 1HD ARG 14 1HD ARG 14 12.077 4.870 -1.382 106 2HD ARG 14 2HD ARG 14 11.509 6.273 -0.500 107 HE ARG 14 HE ARG 14 12.199 6.958 -3.239 108 1HH1 ARG 14 2HH2 ARG 14 9.686 5.508 -1.247 109 2HH1 ARG 14 1HH2 ARG 14 8.412 5.880 -2.359 110 1HH2 ARG 14 2HH1 ARG 14 10.517 7.449 -4.707 111 2HH2 ARG 14 1HH1 ARG 14 8.887 6.992 -4.340 112 H HIS 15 H HIS 15 16.434 2.972 0.422 113 HA HIS 15 HA HIS 15 15.048 0.756 -0.544 114 1HB HIS 15 1HB HIS 15 17.572 0.758 1.131 115 2HB HIS 15 2HB HIS 15 17.034 -0.499 0.035 116 HD1 HIS 15 HD1 HIS 15 19.683 0.268 -0.748 117 HD2 HIS 15 HD2 HIS 15 16.424 2.653 -1.880 118 HE1 HIS 15 HE1 HIS 15 20.474 1.661 -2.734 119 H ASP 16 H ASP 16 16.450 -0.828 1.895 120 HA ASP 16 HA ASP 16 15.725 -1.914 3.625 121 1HB ASP 16 1HB ASP 16 15.924 0.076 4.925 122 2HB ASP 16 2HB ASP 16 14.536 0.824 4.160 123 HD2 ASP 16 HD2 ASP 16 12.306 -0.262 6.382 124 H GLU 17 H GLU 17 13.552 -2.624 4.891 125 HA GLU 17 HA GLU 17 11.854 -3.724 3.111 126 1HB GLU 17 1HB GLU 17 12.066 -3.514 5.948 127 2HB GLU 17 2HB GLU 17 10.405 -3.115 5.557 128 1HG GLU 17 1HG GLU 17 11.529 -5.467 4.092 129 2HG GLU 17 2HG GLU 17 11.346 -5.682 5.821 130 HE2 GLU 17 HE2 GLU 17 8.480 -6.009 3.340 131 H LYS 18 H LYS 18 12.017 -0.393 4.117 132 HA LYS 18 HA LYS 18 9.284 0.218 3.533 133 1HB LYS 18 1HB LYS 18 11.725 1.715 4.377 134 2HB LYS 18 2HB LYS 18 10.461 2.623 3.571 135 1HG LYS 18 1HG LYS 18 9.033 1.019 5.376 136 2HG LYS 18 2HG LYS 18 10.480 1.431 6.274 137 1HD LYS 18 1HD LYS 18 10.063 3.882 5.561 138 2HD LYS 18 2HD LYS 18 8.491 3.355 4.995 139 1HE LYS 18 1HE LYS 18 8.696 2.249 7.589 140 2HE LYS 18 2HE LYS 18 9.406 3.844 7.745 141 1HZ LYS 18 1HZ LYS 18 6.825 3.399 6.426 142 2HZ LYS 18 2HZ LYS 18 6.957 3.715 8.023 143 3HZ LYS 18 3HZ LYS 18 7.455 4.819 6.928 144 H ARG 19 H ARG 19 10.289 -1.296 1.422 145 HA ARG 19 HA ARG 19 10.648 0.756 -0.612 146 1HB ARG 19 1HB ARG 19 11.736 -2.053 -0.329 147 2HB ARG 19 2HB ARG 19 11.466 -1.434 -1.946 148 1HG ARG 19 1HG ARG 19 12.756 0.691 -0.604 149 2HG ARG 19 2HG ARG 19 13.576 -0.743 -0.019 150 1HD ARG 19 1HD ARG 19 14.796 -0.630 -1.947 151 2HD ARG 19 2HD ARG 19 13.377 -1.290 -2.737 152 HE ARG 19 HE ARG 19 12.784 1.376 -2.732 153 1HH1 ARG 19 2HH2 ARG 19 15.706 -0.356 -3.648 154 2HH1 ARG 19 1HH2 ARG 19 16.187 0.820 -4.825 155 1HH2 ARG 19 2HH1 ARG 19 13.417 2.928 -4.285 156 2HH2 ARG 19 1HH1 ARG 19 14.877 2.700 -5.190 157 H ASN 20 H ASN 20 8.615 -1.715 0.710 158 HA ASN 20 HA ASN 20 7.159 -1.905 -1.803 159 1HB ASN 20 1HB ASN 20 7.899 -4.057 -0.652 160 2HB ASN 20 2HB ASN 20 6.893 -3.629 0.717 161 1HD2 ASN 20 1HD2 ASN 20 6.996 -4.676 -2.590 162 2HD2 ASN 20 2HD2 ASN 20 5.332 -5.123 -2.772 163 H ILE 21 H ILE 21 7.150 0.403 0.143 164 HA ILE 21 HA ILE 21 4.413 0.170 1.175 165 HB ILE 21 HB ILE 21 5.352 2.357 2.396 166 1HG1 ILE 21 1HG1 ILE 21 7.686 1.909 3.141 167 2HG1 ILE 21 2HG1 ILE 21 7.802 0.626 1.953 168 1HG2 ILE 21 1HG2 ILE 21 4.724 1.062 4.080 169 2HG2 ILE 21 2HG2 ILE 21 4.878 -0.390 3.061 170 3HG2 ILE 21 3HG2 ILE 21 6.281 0.203 3.982 171 1HD1 ILE 21 1HD1 ILE 21 8.093 2.089 0.229 172 2HD1 ILE 21 2HD1 ILE 21 6.793 3.159 0.806 173 3HD1 ILE 21 3HD1 ILE 21 8.429 3.293 1.496 174 H TYR 22 H TYR 22 6.630 1.878 -0.996 175 HA TYR 22 HA TYR 22 5.335 4.223 -1.450 176 1HB TYR 22 1HB TYR 22 6.500 4.077 -3.603 177 2HB TYR 22 2HB TYR 22 7.478 3.160 -2.474 178 HD1 TYR 22 HD1 TYR 22 7.047 0.582 -2.377 179 HD2 TYR 22 HD2 TYR 22 5.794 3.091 -5.608 180 HE1 TYR 22 HE1 TYR 22 6.897 -1.446 -3.904 181 HE2 TYR 22 HE2 TYR 22 5.649 1.055 -7.124 182 HH TYR 22 HH TYR 22 7.053 -1.858 -6.367 183 H GLN 23 H GLN 23 4.500 0.955 -2.732 184 HA GLN 23 HA GLN 23 2.466 1.974 -4.395 185 1HB GLN 23 1HB GLN 23 3.584 -0.151 -4.899 186 2HB GLN 23 2HB GLN 23 3.048 -0.841 -3.380 187 1HG GLN 23 1HG GLN 23 1.565 -1.641 -5.140 188 2HG GLN 23 2HG GLN 23 0.656 -0.545 -4.120 189 1HE2 GLN 23 1HE2 GLN 23 -0.504 -0.860 -6.357 190 2HE2 GLN 23 2HE2 GLN 23 -0.260 0.418 -7.500 191 H LYS 24 H LYS 24 2.736 1.274 -0.995 192 HA LYS 24 HA LYS 24 -0.014 0.684 -0.559 193 1HB LYS 24 1HB LYS 24 2.217 0.239 0.865 194 2HB LYS 24 2HB LYS 24 1.720 1.734 1.630 195 1HG LYS 24 1HG LYS 24 -0.673 0.579 1.708 196 2HG LYS 24 2HG LYS 24 0.237 -0.904 1.495 197 1HD LYS 24 1HD LYS 24 1.508 -0.530 3.525 198 2HD LYS 24 2HD LYS 24 0.942 1.123 3.659 199 1HE LYS 24 1HE LYS 24 -0.937 -1.280 3.770 200 2HE LYS 24 2HE LYS 24 -0.208 -0.578 5.201 201 1HZ LYS 24 1HZ LYS 24 -1.176 1.582 4.314 202 2HZ LYS 24 2HZ LYS 24 -2.121 0.645 3.367 203 3HZ LYS 24 3HZ LYS 24 -2.204 0.510 4.993 204 H ILE 25 H ILE 25 2.017 3.558 0.367 205 HA ILE 25 HA ILE 25 -0.011 5.200 1.121 206 HB ILE 25 HB ILE 25 2.420 6.101 -0.419 207 1HG1 ILE 25 1HG1 ILE 25 3.103 6.181 2.257 208 2HG1 ILE 25 2HG1 ILE 25 2.238 4.661 2.136 209 1HG2 ILE 25 1HG2 ILE 25 0.421 7.396 1.349 210 2HG2 ILE 25 2HG2 ILE 25 2.122 7.862 1.593 211 3HG2 ILE 25 3HG2 ILE 25 1.366 8.056 -0.007 212 1HD1 ILE 25 1HD1 ILE 25 4.838 5.465 0.923 213 2HD1 ILE 25 2HD1 ILE 25 4.272 3.860 1.443 214 3HD1 ILE 25 3HD1 ILE 25 3.768 4.513 -0.134 215 H ARG 26 H ARG 26 1.304 4.738 -2.225 216 HA ARG 26 HA ARG 26 -0.272 6.583 -3.449 217 1HB ARG 26 1HB ARG 26 1.256 4.172 -4.242 218 2HB ARG 26 2HB ARG 26 -0.089 4.494 -5.317 219 1HG ARG 26 1HG ARG 26 0.972 7.038 -4.979 220 2HG ARG 26 2HG ARG 26 2.414 6.045 -4.906 221 1HD ARG 26 1HD ARG 26 2.249 6.381 -7.216 222 2HD ARG 26 2HD ARG 26 1.379 4.868 -7.056 223 HE ARG 26 HE ARG 26 -0.627 6.716 -6.716 224 1HH1 ARG 26 2HH2 ARG 26 1.869 6.340 -9.168 225 2HH1 ARG 26 1HH2 ARG 26 0.920 7.058 -10.427 226 1HH2 ARG 26 2HH1 ARG 26 -1.879 7.662 -8.377 227 2HH2 ARG 26 1HH1 ARG 26 -1.226 7.815 -9.973 228 H ASP 27 H ASP 27 -1.081 3.406 -2.134 229 HA ASP 27 HA ASP 27 -3.454 3.122 -3.658 230 1HB ASP 27 1HB ASP 27 -1.867 1.463 -2.067 231 2HB ASP 27 2HB ASP 27 -3.292 1.680 -1.071 232 HD2 ASP 27 HD2 ASP 27 -2.851 0.215 -4.555 233 H HIS 28 H HIS 28 -2.420 4.884 -0.841 234 HA HIS 28 HA HIS 28 -5.116 5.011 0.242 235 1HB HIS 28 1HB HIS 28 -2.509 5.038 1.366 236 2HB HIS 28 2HB HIS 28 -3.199 6.621 1.666 237 HD1 HIS 28 HD1 HIS 28 -3.635 6.308 4.166 238 HD2 HIS 28 HD2 HIS 28 -5.412 3.344 1.789 239 HE1 HIS 28 HE1 HIS 28 -5.179 4.986 5.708 240 H ASP 29 H ASP 29 -3.112 6.580 -2.027 241 HA ASP 29 HA ASP 29 -3.833 9.230 -1.465 242 1HB ASP 29 1HB ASP 29 -2.008 8.024 -3.105 243 2HB ASP 29 2HB ASP 29 -3.245 8.401 -4.288 244 HD2 ASP 29 HD2 ASP 29 -0.472 9.926 -3.813 245 H LEU 30 H LEU 30 -5.263 6.486 -3.214 246 HA LEU 30 HA LEU 30 -6.956 7.799 -4.955 247 1HB LEU 30 1HB LEU 30 -7.332 5.195 -3.471 248 2HB LEU 30 2HB LEU 30 -8.318 5.729 -4.817 249 HG LEU 30 HG LEU 30 -5.365 5.605 -5.242 250 1HD1 LEU 30 1HD1 LEU 30 -5.182 3.484 -4.596 251 2HD1 LEU 30 2HD1 LEU 30 -6.939 3.322 -4.361 252 3HD1 LEU 30 3HD1 LEU 30 -6.230 3.067 -5.973 253 1HD2 LEU 30 1HD2 LEU 30 -7.578 4.673 -7.067 254 2HD2 LEU 30 2HD2 LEU 30 -7.123 6.388 -6.929 255 3HD2 LEU 30 3HD2 LEU 30 -5.926 5.191 -7.479 256 H LEU 31 H LEU 31 -7.017 7.540 -1.448 257 HA LEU 31 HA LEU 31 -9.789 8.396 -1.349 258 1HB LEU 31 1HB LEU 31 -7.935 8.009 0.987 259 2HB LEU 31 2HB LEU 31 -9.687 7.973 0.961 260 HG LEU 31 HG LEU 31 -8.673 5.927 -0.798 261 1HD1 LEU 31 1HD1 LEU 31 -7.788 5.362 2.001 262 2HD1 LEU 31 2HD1 LEU 31 -7.229 4.674 0.457 263 3HD1 LEU 31 3HD1 LEU 31 -6.722 6.311 0.938 264 1HD2 LEU 31 1HD2 LEU 31 -10.892 5.880 0.132 265 2HD2 LEU 31 2HD2 LEU 31 -9.988 4.463 0.719 266 3HD2 LEU 31 3HD2 LEU 31 -10.245 5.861 1.790 267 H ASP 32 H ASP 32 -7.342 9.987 -2.452 268 HA ASP 32 HA ASP 32 -6.490 11.951 -0.932 269 1HB ASP 32 1HB ASP 32 -7.334 13.384 -3.180 270 2HB ASP 32 2HB ASP 32 -5.816 12.523 -3.023 271 HD2 ASP 32 HD2 ASP 32 -8.831 10.557 -3.612 272 H LYS 33 H LYS 33 -7.333 13.820 0.110 273 HA LYS 33 HA LYS 33 -10.204 13.943 0.310 274 1HB LYS 33 1HB LYS 33 -7.885 15.193 1.758 275 2HB LYS 33 2HB LYS 33 -9.485 15.887 1.922 276 1HG LYS 33 1HG LYS 33 -10.245 13.396 2.391 277 2HG LYS 33 2HG LYS 33 -8.545 13.111 2.704 278 1HD LYS 33 1HD LYS 33 -8.609 14.213 4.705 279 2HD LYS 33 2HD LYS 33 -9.519 15.555 4.039 280 1HE LYS 33 1HE LYS 33 -11.575 14.624 4.586 281 2HE LYS 33 2HE LYS 33 -11.024 12.979 4.337 282 1HZ LYS 33 1HZ LYS 33 -9.598 13.491 6.401 283 2HZ LYS 33 2HZ LYS 33 -10.696 14.666 6.681 284 3HZ LYS 33 3HZ LYS 33 -11.174 13.108 6.588 285 H ARG 34 H ARG 34 -7.478 15.935 -0.954 286 HA ARG 34 HA ARG 34 -9.437 17.809 -1.949 287 1HB ARG 34 1HB ARG 34 -6.451 18.096 -2.382 288 2HB ARG 34 2HB ARG 34 -7.653 19.356 -2.186 289 1HG ARG 34 1HG ARG 34 -7.952 18.645 0.222 290 2HG ARG 34 2HG ARG 34 -6.673 17.466 0.006 291 1HD ARG 34 1HD ARG 34 -6.095 20.334 -0.748 292 2HD ARG 34 2HD ARG 34 -6.162 19.930 0.956 293 HE ARG 34 HE ARG 34 -4.509 18.105 -0.661 294 1HH1 ARG 34 2HH2 ARG 34 -4.571 21.014 1.319 295 2HH1 ARG 34 1HH2 ARG 34 -2.877 20.963 1.673 296 1HH2 ARG 34 2HH1 ARG 34 -2.273 18.038 -0.194 297 2HH2 ARG 34 1HH1 ARG 34 -1.561 19.258 0.807 298 H LYS 35 H LYS 35 -6.628 15.795 -3.078 299 HA LYS 35 HA LYS 35 -6.592 16.305 -5.705 300 1HB LYS 35 1HB LYS 35 -5.671 14.261 -3.994 301 2HB LYS 35 2HB LYS 35 -6.485 13.438 -5.310 302 1HG LYS 35 1HG LYS 35 -5.124 14.574 -6.978 303 2HG LYS 35 2HG LYS 35 -4.467 15.675 -5.784 304 1HD LYS 35 1HD LYS 35 -3.568 13.531 -4.582 305 2HD LYS 35 2HD LYS 35 -3.918 12.698 -6.083 306 1HE LYS 35 1HE LYS 35 -2.517 14.512 -7.272 307 2HE LYS 35 2HE LYS 35 -2.011 15.045 -5.682 308 1HZ LYS 35 1HZ LYS 35 -1.128 12.822 -7.149 309 2HZ LYS 35 2HZ LYS 35 -0.500 13.466 -5.786 310 3HZ LYS 35 3HZ LYS 35 -1.676 12.336 -5.689 311 H THR 36 H THR 36 -8.930 14.107 -4.028 312 HA THR 36 HA THR 36 -10.299 13.365 -6.367 313 HB THR 36 HB THR 36 -10.252 12.558 -3.756 314 HG1 THR 36 HG1 THR 36 -11.308 11.130 -5.085 315 1HG2 THR 36 1HG2 THR 36 -11.893 14.736 -3.463 316 2HG2 THR 36 2HG2 THR 36 -13.086 13.516 -3.972 317 3HG2 THR 36 3HG2 THR 36 -12.095 13.241 -2.519 318 H VAL 37 H VAL 37 -13.004 13.883 -5.881 319 HA VAL 37 HA VAL 37 -14.496 15.344 -6.649 320 HB VAL 37 HB VAL 37 -13.691 16.000 -4.140 321 1HG1 VAL 37 1HG1 VAL 37 -13.134 18.224 -3.870 322 2HG1 VAL 37 2HG1 VAL 37 -12.278 17.847 -5.384 323 3HG1 VAL 37 3HG1 VAL 37 -13.836 18.706 -5.433 324 1HG2 VAL 37 1HG2 VAL 37 -15.772 17.754 -5.383 325 2HG2 VAL 37 2HG2 VAL 37 -16.009 15.991 -5.450 326 3HG2 VAL 37 3HG2 VAL 37 -15.822 16.805 -3.878 327 H THR 38 H THR 38 -14.586 18.083 -7.115 328 HA THR 38 HA THR 38 -13.247 18.277 -9.564 329 HB THR 38 HB THR 38 -15.353 19.525 -8.326 330 HG1 THR 38 HG1 THR 38 -14.883 19.515 -10.614 331 1HG2 THR 38 1HG2 THR 38 -14.871 21.690 -7.631 332 2HG2 THR 38 2HG2 THR 38 -13.317 20.950 -7.177 333 3HG2 THR 38 3HG2 THR 38 -13.468 21.829 -8.717 334 H ALA 39 H ALA 39 -12.133 20.825 -9.701 335 HA ALA 39 HA ALA 39 -10.168 21.242 -7.731 336 1HB ALA 39 1HB ALA 39 -8.455 20.560 -9.859 337 2HB ALA 39 2HB ALA 39 -8.644 19.695 -8.315 338 3HB ALA 39 3HB ALA 39 -9.601 19.205 -9.733 339 H LEU 40 H LEU 40 -8.315 22.724 -8.880 340 HA LEU 40 HA LEU 40 -9.796 24.489 -10.704 341 1HB LEU 40 1HB LEU 40 -7.949 25.146 -8.414 342 2HB LEU 40 2HB LEU 40 -8.373 26.307 -9.656 343 HG LEU 40 HG LEU 40 -10.691 24.983 -8.400 344 1HD1 LEU 40 1HD1 LEU 40 -8.995 26.871 -6.744 345 2HD1 LEU 40 2HD1 LEU 40 -10.582 26.195 -6.304 346 3HD1 LEU 40 3HD1 LEU 40 -9.171 25.122 -6.463 347 1HD2 LEU 40 1HD2 LEU 40 -10.206 27.257 -9.916 348 2HD2 LEU 40 2HD2 LEU 40 -11.723 26.832 -9.088 349 3HD2 LEU 40 3HD2 LEU 40 -10.537 27.890 -8.286 350 H LYS 41 H LYS 41 -8.906 23.170 -12.471 351 HA LYS 41 HA LYS 41 -6.234 22.670 -12.852 352 1HB LYS 41 1HB LYS 41 -6.835 22.009 -14.955 353 2HB LYS 41 2HB LYS 41 -8.408 22.004 -14.184 354 1HG LYS 41 1HG LYS 41 -8.914 24.243 -15.081 355 2HG LYS 41 2HG LYS 41 -7.294 24.388 -15.734 356 1HD LYS 41 1HD LYS 41 -7.676 22.648 -17.360 357 2HD LYS 41 2HD LYS 41 -9.136 22.108 -16.555 358 1HE LYS 41 1HE LYS 41 -9.199 24.973 -17.348 359 2HE LYS 41 2HE LYS 41 -9.058 23.870 -18.702 360 1HZ LYS 41 1HZ LYS 41 -11.305 24.415 -17.185 361 2HZ LYS 41 2HZ LYS 41 -11.176 23.396 -18.455 362 3HZ LYS 41 3HZ LYS 41 -10.936 22.844 -16.937 363 H ALA 42 H ALA 42 -5.033 23.784 -14.908 364 HA ALA 42 HA ALA 42 -3.775 25.515 -15.479 365 1HB ALA 42 1HB ALA 42 -5.166 27.750 -15.649 366 2HB ALA 42 2HB ALA 42 -5.548 26.380 -16.718 367 3HB ALA 42 3HB ALA 42 -6.545 26.688 -15.276 368 H GLY 43 H GLY 43 -3.109 27.930 -14.758 369 1HA GLY 43 1HA GLY 43 -3.406 28.303 -11.880 370 2HA GLY 43 2HA GLY 43 -1.798 27.916 -12.457 371 H GLU 44 H GLU 44 -0.791 29.348 -14.123 372 HA GLU 44 HA GLU 44 -2.015 31.749 -14.830 373 1HB GLU 44 1HB GLU 44 -1.541 32.111 -12.319 374 2HB GLU 44 2HB GLU 44 0.162 32.114 -12.736 375 1HG GLU 44 1HG GLU 44 -0.077 34.060 -14.145 376 2HG GLU 44 2HG GLU 44 -1.825 33.935 -14.154 377 HE2 GLU 44 HE2 GLU 44 0.809 35.026 -11.950 378 H ASP 45 H ASP 45 -0.896 32.645 -16.570 379 HA ASP 45 HA ASP 45 0.714 33.019 -17.995 380 1HB ASP 45 1HB ASP 45 2.203 32.496 -15.662 381 2HB ASP 45 2HB ASP 45 2.895 31.400 -16.841 382 HD2 ASP 45 HD2 ASP 45 3.270 35.356 -17.326 Start of MODEL 18 1 H MET 1 H MET 1 -24.531 -10.221 -8.890 2 HA MET 1 HA MET 1 -24.614 -12.923 -9.418 3 1HB MET 1 1HB MET 1 -23.944 -12.870 -11.872 4 2HB MET 1 2HB MET 1 -25.594 -12.343 -11.603 5 1HG MET 1 1HG MET 1 -23.467 -10.215 -11.533 6 2HG MET 1 2HG MET 1 -23.829 -10.917 -13.097 7 1HE MET 1 1HE MET 1 -24.768 -8.438 -13.956 8 2HE MET 1 2HE MET 1 -25.768 -7.458 -12.857 9 3HE MET 1 3HE MET 1 -24.137 -7.968 -12.360 10 H PHE 2 H PHE 2 -23.141 -11.238 -7.729 11 HA PHE 2 HA PHE 2 -20.711 -10.368 -8.735 12 1HB PHE 2 1HB PHE 2 -20.203 -10.158 -6.398 13 2HB PHE 2 2HB PHE 2 -21.955 -10.129 -6.405 14 HD1 PHE 2 HD1 PHE 2 -22.562 -13.012 -6.777 15 HD2 PHE 2 HD2 PHE 2 -19.665 -11.098 -4.337 16 HE1 PHE 2 HE1 PHE 2 -22.600 -14.965 -5.200 17 HE2 PHE 2 HE2 PHE 2 -19.703 -13.050 -2.760 18 HZ PHE 2 HZ PHE 2 -21.170 -14.960 -3.210 19 H ILE 3 H ILE 3 -18.692 -11.581 -7.195 20 HA ILE 3 HA ILE 3 -18.582 -14.229 -8.461 21 HB ILE 3 HB ILE 3 -17.017 -12.296 -9.168 22 1HG1 ILE 3 1HG1 ILE 3 -15.202 -13.899 -9.601 23 2HG1 ILE 3 2HG1 ILE 3 -15.894 -15.019 -8.444 24 1HG2 ILE 3 1HG2 ILE 3 -15.614 -13.188 -6.634 25 2HG2 ILE 3 2HG2 ILE 3 -14.974 -12.076 -7.868 26 3HG2 ILE 3 3HG2 ILE 3 -16.388 -11.607 -6.894 27 1HD1 ILE 3 1HD1 ILE 3 -17.543 -15.697 -9.883 28 2HD1 ILE 3 2HD1 ILE 3 -17.816 -14.049 -10.497 29 3HD1 ILE 3 3HD1 ILE 3 -16.469 -15.023 -11.133 30 H TRP 4 H TRP 4 -18.107 -16.022 -7.215 31 HA TRP 4 HA TRP 4 -18.208 -15.555 -4.345 32 1HB TRP 4 1HB TRP 4 -18.699 -17.911 -4.172 33 2HB TRP 4 2HB TRP 4 -19.786 -17.131 -5.304 34 HD1 TRP 4 HD1 TRP 4 -19.741 -18.027 -7.828 35 HE1 TRP 4 HE1 TRP 4 -18.586 -20.017 -9.122 36 HE3 TRP 4 HE3 TRP 4 -16.455 -19.218 -4.134 37 HZ2 TRP 4 HZ2 TRP 4 -16.476 -21.824 -8.470 38 HZ3 TRP 4 HZ3 TRP 4 -14.882 -21.108 -4.544 39 HH2 TRP 4 HH2 TRP 4 -14.857 -22.394 -6.622 40 H THR 5 H THR 5 -16.010 -16.256 -6.969 41 HA THR 5 HA THR 5 -14.092 -17.854 -6.016 42 HB THR 5 HB THR 5 -12.509 -16.316 -7.287 43 HG1 THR 5 HG1 THR 5 -13.495 -14.323 -7.993 44 1HG2 THR 5 1HG2 THR 5 -14.387 -16.010 -9.296 45 2HG2 THR 5 2HG2 THR 5 -13.487 -17.518 -9.003 46 3HG2 THR 5 3HG2 THR 5 -15.123 -17.312 -8.332 47 H SER 6 H SER 6 -13.164 -14.435 -5.662 48 HA SER 6 HA SER 6 -11.884 -13.553 -4.106 49 1HB SER 6 1HB SER 6 -13.880 -12.769 -3.169 50 2HB SER 6 2HB SER 6 -14.439 -14.374 -2.738 51 HG SER 6 HG SER 6 -12.851 -14.431 -1.029 52 H GLY 7 H GLY 7 -9.994 -14.872 -4.046 53 1HA GLY 7 1HA GLY 7 -9.911 -16.756 -1.770 54 2HA GLY 7 2HA GLY 7 -9.240 -17.171 -3.335 55 H ARG 8 H ARG 8 -7.036 -17.109 -3.185 56 HA ARG 8 HA ARG 8 -5.827 -15.250 -1.407 57 1HB ARG 8 1HB ARG 8 -3.722 -16.357 -2.035 58 2HB ARG 8 2HB ARG 8 -4.946 -17.579 -1.755 59 1HG ARG 8 1HG ARG 8 -5.395 -17.346 -4.361 60 2HG ARG 8 2HG ARG 8 -3.798 -16.624 -4.393 61 1HD ARG 8 1HD ARG 8 -2.795 -18.657 -4.192 62 2HD ARG 8 2HD ARG 8 -3.740 -19.049 -2.770 63 HE ARG 8 HE ARG 8 -5.464 -19.298 -5.018 64 1HH1 ARG 8 2HH2 ARG 8 -2.591 -20.847 -3.705 65 2HH1 ARG 8 1HH2 ARG 8 -2.946 -22.390 -4.406 66 1HH2 ARG 8 2HH1 ARG 8 -5.934 -21.334 -5.943 67 2HH2 ARG 8 1HH1 ARG 8 -4.861 -22.669 -5.687 68 H THR 9 H THR 9 -4.336 -13.532 -2.030 69 HA THR 9 HA THR 9 -4.690 -12.672 -4.827 70 HB THR 9 HB THR 9 -4.205 -10.355 -3.616 71 HG1 THR 9 HG1 THR 9 -3.748 -11.167 -1.526 72 1HG2 THR 9 1HG2 THR 9 -6.456 -10.921 -4.556 73 2HG2 THR 9 2HG2 THR 9 -6.812 -11.882 -3.100 74 3HG2 THR 9 3HG2 THR 9 -6.608 -10.118 -2.974 75 H SER 10 H SER 10 -2.774 -10.651 -4.887 76 HA SER 10 HA SER 10 -0.457 -12.310 -5.101 77 1HB SER 10 1HB SER 10 -0.561 -9.329 -5.664 78 2HB SER 10 2HB SER 10 0.488 -10.532 -6.389 79 HG SER 10 HG SER 10 -2.203 -11.133 -6.778 80 H SER 11 H SER 11 1.676 -11.680 -4.167 81 HA SER 11 HA SER 11 1.309 -10.815 -1.478 82 1HB SER 11 1HB SER 11 3.817 -11.270 -1.349 83 2HB SER 11 2HB SER 11 2.821 -12.642 -1.794 84 HG SER 11 HG SER 11 4.854 -12.146 -3.111 85 H SER 12 H SER 12 4.302 -9.934 -3.156 86 HA SER 12 HA SER 12 5.362 -8.006 -3.127 87 1HB SER 12 1HB SER 12 2.883 -7.608 -4.784 88 2HB SER 12 2HB SER 12 3.894 -6.205 -4.498 89 HG SER 12 HG SER 12 4.910 -7.005 -6.240 90 H TYR 13 H TYR 13 3.837 -8.417 -0.676 91 HA TYR 13 HA TYR 13 3.315 -5.605 -0.003 92 1HB TYR 13 1HB TYR 13 1.331 -6.336 1.155 93 2HB TYR 13 2HB TYR 13 1.304 -7.318 -0.296 94 HD1 TYR 13 HD1 TYR 13 2.219 -9.706 -0.169 95 HD2 TYR 13 HD2 TYR 13 1.413 -7.336 3.301 96 HE1 TYR 13 HE1 TYR 13 2.162 -11.807 1.262 97 HE2 TYR 13 HE2 TYR 13 1.358 -9.445 4.719 98 HH TYR 13 HH TYR 13 0.803 -12.210 3.814 99 H ARG 14 H ARG 14 4.135 -8.932 1.162 100 HA ARG 14 HA ARG 14 5.290 -7.705 3.509 101 1HB ARG 14 1HB ARG 14 4.133 -10.337 2.842 102 2HB ARG 14 2HB ARG 14 5.667 -10.501 3.672 103 1HG ARG 14 1HG ARG 14 3.526 -8.610 4.716 104 2HG ARG 14 2HG ARG 14 3.486 -10.317 5.110 105 1HD ARG 14 1HD ARG 14 4.844 -9.735 6.861 106 2HD ARG 14 2HD ARG 14 6.125 -9.737 5.666 107 HE ARG 14 HE ARG 14 4.710 -7.188 5.749 108 1HH1 ARG 14 2HH2 ARG 14 7.244 -9.086 7.285 109 2HH1 ARG 14 1HH2 ARG 14 8.081 -7.702 7.906 110 1HH2 ARG 14 2HH1 ARG 14 5.814 -5.362 6.568 111 2HH2 ARG 14 1HH1 ARG 14 7.262 -5.570 7.495 112 H HIS 15 H HIS 15 6.092 -9.932 0.763 113 HA HIS 15 HA HIS 15 8.624 -10.595 1.286 114 1HB HIS 15 1HB HIS 15 6.959 -10.402 -1.017 115 2HB HIS 15 2HB HIS 15 8.527 -9.754 -1.456 116 HD1 HIS 15 HD1 HIS 15 10.644 -11.416 -0.957 117 HD2 HIS 15 HD2 HIS 15 6.826 -13.153 -0.939 118 HE1 HIS 15 HE1 HIS 15 11.001 -13.931 -1.199 119 H ASP 16 H ASP 16 7.519 -7.429 -0.073 120 HA ASP 16 HA ASP 16 10.227 -6.471 0.122 121 1HB ASP 16 1HB ASP 16 8.330 -4.393 -0.544 122 2HB ASP 16 2HB ASP 16 9.578 -5.092 -1.556 123 HD2 ASP 16 HD2 ASP 16 5.821 -5.543 -2.079 124 H GLU 17 H GLU 17 10.901 -5.037 1.773 125 HA GLU 17 HA GLU 17 9.008 -4.627 3.889 126 1HB GLU 17 1HB GLU 17 11.959 -4.611 3.580 127 2HB GLU 17 2HB GLU 17 11.359 -3.395 4.690 128 1HG GLU 17 1HG GLU 17 10.662 -4.950 6.237 129 2HG GLU 17 2HG GLU 17 10.082 -6.064 5.014 130 HE2 GLU 17 HE2 GLU 17 13.904 -6.252 6.222 131 H LYS 18 H LYS 18 11.586 -2.326 2.861 132 HA LYS 18 HA LYS 18 9.657 -0.182 3.077 133 1HB LYS 18 1HB LYS 18 12.660 -0.337 2.854 134 2HB LYS 18 2HB LYS 18 11.817 1.179 2.608 135 1HG LYS 18 1HG LYS 18 10.593 0.358 4.911 136 2HG LYS 18 2HG LYS 18 12.145 -0.428 5.117 137 1HD LYS 18 1HD LYS 18 13.323 1.592 5.227 138 2HD LYS 18 2HD LYS 18 12.162 2.452 4.236 139 1HE LYS 18 1HE LYS 18 10.519 2.429 6.109 140 2HE LYS 18 2HE LYS 18 11.641 1.518 7.100 141 1HZ LYS 18 1HZ LYS 18 13.143 3.332 7.064 142 2HZ LYS 18 2HZ LYS 18 12.255 4.159 5.971 143 3HZ LYS 18 3HZ LYS 18 11.681 3.926 7.482 144 H ARG 19 H ARG 19 9.838 -2.355 0.821 145 HA ARG 19 HA ARG 19 10.081 -0.454 -1.364 146 1HB ARG 19 1HB ARG 19 10.528 -3.427 -1.115 147 2HB ARG 19 2HB ARG 19 9.954 -2.834 -2.661 148 1HG ARG 19 1HG ARG 19 12.018 -1.033 -1.888 149 2HG ARG 19 2HG ARG 19 12.623 -2.628 -1.487 150 1HD ARG 19 1HD ARG 19 13.275 -2.235 -3.771 151 2HD ARG 19 2HD ARG 19 11.949 -3.378 -3.845 152 HE ARG 19 HE ARG 19 10.573 -1.720 -4.812 153 1HH1 ARG 19 2HH2 ARG 19 13.568 -0.287 -3.648 154 2HH1 ARG 19 1HH2 ARG 19 13.300 1.229 -4.441 155 1HH2 ARG 19 2HH1 ARG 19 10.219 0.280 -5.859 156 2HH2 ARG 19 1HH1 ARG 19 11.382 1.554 -5.707 157 H ASN 20 H ASN 20 7.848 -2.072 0.634 158 HA ASN 20 HA ASN 20 5.844 -2.044 -1.481 159 1HB ASN 20 1HB ASN 20 4.747 -3.824 -0.407 160 2HB ASN 20 2HB ASN 20 6.410 -4.186 0.013 161 1HD2 ASN 20 1HD2 ASN 20 7.235 -3.441 2.060 162 2HD2 ASN 20 2HD2 ASN 20 6.188 -3.299 3.432 163 H ILE 21 H ILE 21 6.932 0.262 0.171 164 HA ILE 21 HA ILE 21 4.552 0.885 1.768 165 HB ILE 21 HB ILE 21 6.361 2.790 2.424 166 1HG1 ILE 21 1HG1 ILE 21 8.519 1.555 2.840 167 2HG1 ILE 21 2HG1 ILE 21 7.943 0.289 1.774 168 1HG2 ILE 21 1HG2 ILE 21 6.466 0.153 3.850 169 2HG2 ILE 21 2HG2 ILE 21 6.385 1.806 4.507 170 3HG2 ILE 21 3HG2 ILE 21 4.939 1.065 3.780 171 1HD1 ILE 21 1HD1 ILE 21 8.389 1.510 -0.094 172 2HD1 ILE 21 2HD1 ILE 21 7.632 2.971 0.586 173 3HD1 ILE 21 3HD1 ILE 21 9.323 2.579 0.980 174 H TYR 22 H TYR 22 6.699 1.928 -0.898 175 HA TYR 22 HA TYR 22 5.760 4.471 -1.310 176 1HB TYR 22 1HB TYR 22 6.734 4.100 -3.508 177 2HB TYR 22 2HB TYR 22 7.599 2.989 -2.465 178 HD1 TYR 22 HD1 TYR 22 6.776 0.542 -2.374 179 HD2 TYR 22 HD2 TYR 22 5.576 3.314 -5.404 180 HE1 TYR 22 HE1 TYR 22 6.096 -1.389 -3.881 181 HE2 TYR 22 HE2 TYR 22 4.900 1.373 -6.901 182 HH TYR 22 HH TYR 22 4.133 -1.065 -6.449 183 H GLN 23 H GLN 23 4.362 1.328 -2.425 184 HA GLN 23 HA GLN 23 2.385 2.503 -3.987 185 1HB GLN 23 1HB GLN 23 3.034 0.159 -4.257 186 2HB GLN 23 2HB GLN 23 2.524 -0.220 -2.624 187 1HG GLN 23 1HG GLN 23 0.177 0.732 -3.431 188 2HG GLN 23 2HG GLN 23 0.812 0.433 -5.036 189 1HE2 GLN 23 1HE2 GLN 23 -1.353 -0.909 -4.398 190 2HE2 GLN 23 2HE2 GLN 23 -1.048 -2.581 -4.066 191 H LYS 24 H LYS 24 2.678 1.868 -0.510 192 HA LYS 24 HA LYS 24 -0.014 1.926 0.175 193 1HB LYS 24 1HB LYS 24 2.449 1.713 1.485 194 2HB LYS 24 2HB LYS 24 1.729 3.162 2.156 195 1HG LYS 24 1HG LYS 24 0.043 0.661 1.846 196 2HG LYS 24 2HG LYS 24 1.150 0.795 3.198 197 1HD LYS 24 1HD LYS 24 -0.605 3.175 2.683 198 2HD LYS 24 2HD LYS 24 -1.411 1.732 3.267 199 1HE LYS 24 1HE LYS 24 0.033 1.637 5.243 200 2HE LYS 24 2HE LYS 24 1.057 2.916 4.620 201 1HZ LYS 24 1HZ LYS 24 -0.537 4.477 5.027 202 2HZ LYS 24 2HZ LYS 24 -1.787 3.427 4.974 203 3HZ LYS 24 3HZ LYS 24 -0.804 3.460 6.277 204 H ILE 25 H ILE 25 2.408 4.639 0.292 205 HA ILE 25 HA ILE 25 0.758 6.659 0.964 206 HB ILE 25 HB ILE 25 2.936 6.792 -1.123 207 1HG1 ILE 25 1HG1 ILE 25 3.766 7.547 1.531 208 2HG1 ILE 25 2HG1 ILE 25 3.099 5.927 1.571 209 1HG2 ILE 25 1HG2 ILE 25 2.303 8.981 0.819 210 2HG2 ILE 25 2HG2 ILE 25 3.049 9.061 -0.795 211 3HG2 ILE 25 3HG2 ILE 25 1.298 8.787 -0.637 212 1HD1 ILE 25 1HD1 ILE 25 4.821 5.049 0.352 213 2HD1 ILE 25 2HD1 ILE 25 4.852 6.430 -0.770 214 3HD1 ILE 25 3HD1 ILE 25 5.678 6.543 0.803 215 H ARG 26 H ARG 26 1.393 5.557 -2.442 216 HA ARG 26 HA ARG 26 -0.420 7.271 -3.578 217 1HB ARG 26 1HB ARG 26 1.039 4.806 -4.365 218 2HB ARG 26 2HB ARG 26 -0.463 5.023 -5.241 219 1HG ARG 26 1HG ARG 26 0.588 7.590 -5.310 220 2HG ARG 26 2HG ARG 26 2.045 6.617 -5.364 221 1HD ARG 26 1HD ARG 26 0.229 5.343 -7.150 222 2HD ARG 26 2HD ARG 26 0.053 7.059 -7.460 223 HE ARG 26 HE ARG 26 2.848 6.426 -7.255 224 1HH1 ARG 26 2HH2 ARG 26 0.104 5.981 -9.412 225 2HH1 ARG 26 1HH2 ARG 26 1.080 5.876 -10.839 226 1HH2 ARG 26 2HH1 ARG 26 4.136 6.287 -9.137 227 2HH2 ARG 26 1HH1 ARG 26 3.389 6.051 -10.682 228 H ASP 27 H ASP 27 -0.833 4.162 -1.909 229 HA ASP 27 HA ASP 27 -3.343 3.547 -2.949 230 1HB ASP 27 1HB ASP 27 -1.560 2.226 -1.406 231 2HB ASP 27 2HB ASP 27 -2.605 2.802 -0.122 232 HD2 ASP 27 HD2 ASP 27 -3.655 -0.373 -0.732 233 H HIS 28 H HIS 28 -2.134 5.753 -0.458 234 HA HIS 28 HA HIS 28 -4.590 5.989 0.947 235 1HB HIS 28 1HB HIS 28 -1.951 6.670 1.413 236 2HB HIS 28 2HB HIS 28 -2.703 8.230 1.148 237 HD1 HIS 28 HD1 HIS 28 -2.757 9.074 3.543 238 HD2 HIS 28 HD2 HIS 28 -4.484 5.276 3.109 239 HE1 HIS 28 HE1 HIS 28 -3.861 8.530 5.778 240 H ASP 29 H ASP 29 -2.919 7.772 -1.696 241 HA ASP 29 HA ASP 29 -4.591 9.939 -1.770 242 1HB ASP 29 1HB ASP 29 -2.420 9.056 -3.209 243 2HB ASP 29 2HB ASP 29 -3.688 8.826 -4.397 244 HD2 ASP 29 HD2 ASP 29 -2.209 12.382 -3.730 245 H LEU 30 H LEU 30 -4.593 7.096 -4.066 246 HA LEU 30 HA LEU 30 -7.157 7.655 -5.057 247 1HB LEU 30 1HB LEU 30 -5.708 5.010 -5.107 248 2HB LEU 30 2HB LEU 30 -6.964 5.561 -6.199 249 HG LEU 30 HG LEU 30 -4.374 7.079 -5.999 250 1HD1 LEU 30 1HD1 LEU 30 -3.295 5.705 -7.595 251 2HD1 LEU 30 2HD1 LEU 30 -3.910 4.612 -6.332 252 3HD1 LEU 30 3HD1 LEU 30 -4.769 4.750 -7.885 253 1HD2 LEU 30 1HD2 LEU 30 -6.753 7.326 -7.518 254 2HD2 LEU 30 2HD2 LEU 30 -5.261 8.290 -7.628 255 3HD2 LEU 30 3HD2 LEU 30 -5.459 6.838 -8.638 256 H LEU 31 H LEU 31 -6.059 6.292 -2.075 257 HA LEU 31 HA LEU 31 -7.052 4.999 -0.533 258 1HB LEU 31 1HB LEU 31 -8.575 7.416 -1.077 259 2HB LEU 31 2HB LEU 31 -9.566 6.173 -0.339 260 HG LEU 31 HG LEU 31 -6.944 6.568 0.960 261 1HD1 LEU 31 1HD1 LEU 31 -7.933 8.903 0.145 262 2HD1 LEU 31 2HD1 LEU 31 -8.921 8.699 1.611 263 3HD1 LEU 31 3HD1 LEU 31 -7.145 8.699 1.728 264 1HD2 LEU 31 1HD2 LEU 31 -8.370 5.133 2.096 265 2HD2 LEU 31 2HD2 LEU 31 -8.572 6.669 2.972 266 3HD2 LEU 31 3HD2 LEU 31 -9.802 6.147 1.797 267 H ASP 32 H ASP 32 -7.047 3.036 -1.876 268 HA ASP 32 HA ASP 32 -9.735 2.413 -2.815 269 1HB ASP 32 1HB ASP 32 -7.089 2.004 -3.945 270 2HB ASP 32 2HB ASP 32 -7.837 0.441 -3.681 271 HD2 ASP 32 HD2 ASP 32 -8.165 1.131 -6.801 272 H LYS 33 H LYS 33 -7.324 1.878 -0.411 273 HA LYS 33 HA LYS 33 -7.255 -0.725 0.186 274 1HB LYS 33 1HB LYS 33 -7.120 1.780 1.707 275 2HB LYS 33 2HB LYS 33 -7.637 0.417 2.679 276 1HG LYS 33 1HG LYS 33 -5.628 -0.842 1.462 277 2HG LYS 33 2HG LYS 33 -5.046 0.783 1.158 278 1HD LYS 33 1HD LYS 33 -4.425 1.089 3.333 279 2HD LYS 33 2HD LYS 33 -5.938 0.452 3.945 280 1HE LYS 33 1HE LYS 33 -3.724 -1.336 2.842 281 2HE LYS 33 2HE LYS 33 -3.831 -0.898 4.536 282 1HZ LYS 33 1HZ LYS 33 -6.329 -1.736 3.866 283 2HZ LYS 33 2HZ LYS 33 -5.345 -2.791 3.103 284 3HZ LYS 33 3HZ LYS 33 -5.221 -2.581 4.717 285 H ARG 34 H ARG 34 -10.084 1.410 0.368 286 HA ARG 34 HA ARG 34 -11.568 -0.573 1.797 287 1HB ARG 34 1HB ARG 34 -12.238 2.166 0.637 288 2HB ARG 34 2HB ARG 34 -13.492 1.133 1.294 289 1HG ARG 34 1HG ARG 34 -11.577 1.027 3.303 290 2HG ARG 34 2HG ARG 34 -11.371 2.663 2.708 291 1HD ARG 34 1HD ARG 34 -13.046 2.839 4.409 292 2HD ARG 34 2HD ARG 34 -13.935 2.922 2.901 293 HE ARG 34 HE ARG 34 -14.899 0.823 3.357 294 1HH1 ARG 34 2HH2 ARG 34 -12.230 1.418 5.572 295 2HH1 ARG 34 1HH2 ARG 34 -12.602 0.063 6.586 296 1HH2 ARG 34 2HH1 ARG 34 -15.389 -0.965 4.693 297 2HH2 ARG 34 1HH1 ARG 34 -14.411 -1.301 6.082 298 H LYS 35 H LYS 35 -13.097 1.260 -0.836 299 HA LYS 35 HA LYS 35 -14.444 0.484 -2.449 300 1HB LYS 35 1HB LYS 35 -12.359 0.891 -3.605 301 2HB LYS 35 2HB LYS 35 -11.757 -0.702 -3.195 302 1HG LYS 35 1HG LYS 35 -12.626 -1.385 -5.185 303 2HG LYS 35 2HG LYS 35 -14.193 -1.303 -4.403 304 1HD LYS 35 1HD LYS 35 -14.345 1.139 -5.105 305 2HD LYS 35 2HD LYS 35 -12.854 0.929 -6.002 306 1HE LYS 35 1HE LYS 35 -13.859 -0.680 -7.500 307 2HE LYS 35 2HE LYS 35 -15.261 -0.879 -6.468 308 1HZ LYS 35 1HZ LYS 35 -16.206 0.783 -7.525 309 2HZ LYS 35 2HZ LYS 35 -15.009 1.813 -7.110 310 3HZ LYS 35 3HZ LYS 35 -14.906 0.957 -8.497 311 H THR 36 H THR 36 -12.582 -2.477 -2.891 312 HA THR 36 HA THR 36 -14.053 -4.140 -1.173 313 HB THR 36 HB THR 36 -15.697 -3.220 -3.154 314 HG1 THR 36 HG1 THR 36 -16.894 -4.988 -2.369 315 1HG2 THR 36 1HG2 THR 36 -15.078 -5.963 -4.196 316 2HG2 THR 36 2HG2 THR 36 -15.712 -4.543 -5.062 317 3HG2 THR 36 3HG2 THR 36 -13.970 -4.670 -4.716 318 H VAL 37 H VAL 37 -14.066 -6.525 -2.632 319 HA VAL 37 HA VAL 37 -11.184 -6.811 -3.049 320 HB VAL 37 HB VAL 37 -12.285 -8.121 -1.267 321 1HG1 VAL 37 1HG1 VAL 37 -13.566 -9.983 -3.183 322 2HG1 VAL 37 2HG1 VAL 37 -14.086 -9.459 -1.563 323 3HG1 VAL 37 3HG1 VAL 37 -14.380 -8.414 -2.975 324 1HG2 VAL 37 1HG2 VAL 37 -11.063 -10.065 -1.655 325 2HG2 VAL 37 2HG2 VAL 37 -11.415 -10.062 -3.400 326 3HG2 VAL 37 3HG2 VAL 37 -10.265 -8.885 -2.723 327 H THR 38 H THR 38 -10.677 -8.692 -4.703 328 HA THR 38 HA THR 38 -12.366 -8.207 -7.070 329 HB THR 38 HB THR 38 -9.907 -8.886 -8.075 330 HG1 THR 38 HG1 THR 38 -8.368 -7.949 -6.578 331 1HG2 THR 38 1HG2 THR 38 -10.184 -6.064 -7.017 332 2HG2 THR 38 2HG2 THR 38 -9.620 -6.613 -8.614 333 3HG2 THR 38 3HG2 THR 38 -11.358 -6.631 -8.229 334 H ALA 39 H ALA 39 -11.593 -10.082 -8.802 335 HA ALA 39 HA ALA 39 -12.729 -12.426 -7.644 336 1HB ALA 39 1HB ALA 39 -13.121 -12.979 -9.812 337 2HB ALA 39 2HB ALA 39 -12.647 -11.296 -10.148 338 3HB ALA 39 3HB ALA 39 -11.454 -12.607 -10.311 339 H LEU 40 H LEU 40 -11.403 -14.573 -8.720 340 HA LEU 40 HA LEU 40 -9.155 -14.740 -6.975 341 1HB LEU 40 1HB LEU 40 -10.741 -16.555 -8.694 342 2HB LEU 40 2HB LEU 40 -9.074 -17.021 -8.415 343 HG LEU 40 HG LEU 40 -10.889 -16.311 -6.114 344 1HD1 LEU 40 1HD1 LEU 40 -11.368 -18.432 -7.912 345 2HD1 LEU 40 2HD1 LEU 40 -10.666 -19.158 -6.446 346 3HD1 LEU 40 3HD1 LEU 40 -12.122 -18.141 -6.326 347 1HD2 LEU 40 1HD2 LEU 40 -9.297 -18.128 -5.087 348 2HD2 LEU 40 2HD2 LEU 40 -8.249 -17.686 -6.456 349 3HD2 LEU 40 3HD2 LEU 40 -8.752 -16.445 -5.283 350 H LYS 41 H LYS 41 -8.236 -12.712 -8.218 351 HA LYS 41 HA LYS 41 -7.007 -13.339 -10.728 352 1HB LYS 41 1HB LYS 41 -7.431 -10.981 -9.038 353 2HB LYS 41 2HB LYS 41 -5.842 -11.010 -9.775 354 1HG LYS 41 1HG LYS 41 -7.886 -11.846 -11.701 355 2HG LYS 41 2HG LYS 41 -8.288 -10.284 -11.016 356 1HD LYS 41 1HD LYS 41 -6.864 -9.472 -12.617 357 2HD LYS 41 2HD LYS 41 -5.610 -9.915 -11.477 358 1HE LYS 41 1HE LYS 41 -6.184 -12.320 -12.853 359 2HE LYS 41 2HE LYS 41 -6.233 -11.087 -14.097 360 1HZ LYS 41 1HZ LYS 41 -4.010 -11.999 -12.537 361 2HZ LYS 41 2HZ LYS 41 -4.038 -11.370 -14.044 362 3HZ LYS 41 3HZ LYS 41 -4.067 -10.380 -12.746 363 H ALA 42 H ALA 42 -4.487 -12.656 -10.821 364 HA ALA 42 HA ALA 42 -2.434 -13.386 -10.428 365 1HB ALA 42 1HB ALA 42 -2.360 -13.659 -7.593 366 2HB ALA 42 2HB ALA 42 -1.799 -12.286 -8.577 367 3HB ALA 42 3HB ALA 42 -3.468 -12.315 -7.958 368 H GLY 43 H GLY 43 -1.074 -15.213 -9.263 369 1HA GLY 43 1HA GLY 43 -2.103 -17.441 -8.101 370 2HA GLY 43 2HA GLY 43 -2.462 -17.678 -9.800 371 H GLU 44 H GLU 44 0.221 -16.907 -7.502 372 HA GLU 44 HA GLU 44 1.895 -18.737 -8.848 373 1HB GLU 44 1HB GLU 44 3.706 -16.850 -9.214 374 2HB GLU 44 2HB GLU 44 2.485 -17.139 -10.438 375 1HG GLU 44 1HG GLU 44 1.596 -15.065 -10.164 376 2HG GLU 44 2HG GLU 44 1.467 -15.276 -8.429 377 HE2 GLU 44 HE2 GLU 44 2.518 -13.006 -8.099 378 H ASP 45 H ASP 45 1.594 -15.934 -6.597 379 HA ASP 45 HA ASP 45 3.643 -17.142 -4.946 380 1HB ASP 45 1HB ASP 45 2.957 -14.475 -5.579 381 2HB ASP 45 2HB ASP 45 2.397 -14.674 -3.931 382 HD2 ASP 45 HD2 ASP 45 6.084 -15.629 -4.841 Start of MODEL 19 1 H MET 1 H MET 1 13.253 -28.754 -15.091 2 HA MET 1 HA MET 1 12.841 -27.760 -12.640 3 1HB MET 1 1HB MET 1 15.113 -27.578 -14.640 4 2HB MET 1 2HB MET 1 15.268 -26.659 -13.155 5 1HG MET 1 1HG MET 1 16.032 -28.573 -12.186 6 2HG MET 1 2HG MET 1 14.382 -29.160 -12.248 7 1HE MET 1 1HE MET 1 13.332 -30.301 -13.871 8 2HE MET 1 2HE MET 1 14.007 -31.214 -15.242 9 3HE MET 1 3HE MET 1 14.185 -31.837 -13.585 10 H PHE 2 H PHE 2 10.939 -26.288 -14.005 11 HA PHE 2 HA PHE 2 11.538 -23.676 -13.141 12 1HB PHE 2 1HB PHE 2 12.779 -23.962 -15.424 13 2HB PHE 2 2HB PHE 2 11.198 -24.138 -16.161 14 HD1 PHE 2 HD1 PHE 2 12.974 -21.779 -13.866 15 HD2 PHE 2 HD2 PHE 2 10.261 -22.255 -17.094 16 HE1 PHE 2 HE1 PHE 2 12.801 -19.285 -14.089 17 HE2 PHE 2 HE2 PHE 2 10.088 -19.761 -17.317 18 HZ PHE 2 HZ PHE 2 11.360 -18.306 -15.811 19 H ILE 3 H ILE 3 9.661 -22.211 -13.400 20 HA ILE 3 HA ILE 3 7.223 -23.774 -13.479 21 HB ILE 3 HB ILE 3 7.681 -22.273 -11.605 22 1HG1 ILE 3 1HG1 ILE 3 5.483 -20.980 -11.741 23 2HG1 ILE 3 2HG1 ILE 3 5.299 -21.634 -13.356 24 1HG2 ILE 3 1HG2 ILE 3 7.508 -19.809 -11.954 25 2HG2 ILE 3 2HG2 ILE 3 8.973 -20.544 -12.648 26 3HG2 ILE 3 3HG2 ILE 3 7.615 -20.095 -13.708 27 1HD1 ILE 3 1HD1 ILE 3 5.522 -23.957 -12.423 28 2HD1 ILE 3 2HD1 ILE 3 5.617 -23.256 -10.789 29 3HD1 ILE 3 3HD1 ILE 3 4.130 -23.075 -11.750 30 H TRP 4 H TRP 4 5.939 -23.919 -15.236 31 HA TRP 4 HA TRP 4 6.413 -21.956 -17.368 32 1HB TRP 4 1HB TRP 4 5.868 -23.577 -18.936 33 2HB TRP 4 2HB TRP 4 6.877 -24.415 -17.775 34 HD1 TRP 4 HD1 TRP 4 5.832 -26.587 -16.693 35 HE1 TRP 4 HE1 TRP 4 3.523 -27.863 -16.736 36 HE3 TRP 4 HE3 TRP 4 3.259 -22.932 -19.117 37 HZ2 TRP 4 HZ2 TRP 4 0.938 -27.216 -17.756 38 HZ3 TRP 4 HZ3 TRP 4 0.846 -23.334 -19.598 39 HH2 TRP 4 HH2 TRP 4 -0.315 -25.388 -18.959 40 H THR 5 H THR 5 4.104 -23.449 -15.119 41 HA THR 5 HA THR 5 1.868 -22.070 -16.387 42 HB THR 5 HB THR 5 1.735 -24.486 -15.615 43 HG1 THR 5 HG1 THR 5 -0.320 -23.979 -14.501 44 1HG2 THR 5 1HG2 THR 5 1.139 -24.095 -12.883 45 2HG2 THR 5 2HG2 THR 5 2.550 -24.968 -13.528 46 3HG2 THR 5 3HG2 THR 5 2.683 -23.241 -13.117 47 H SER 6 H SER 6 0.724 -22.058 -13.460 48 HA SER 6 HA SER 6 0.264 -20.444 -12.069 49 1HB SER 6 1HB SER 6 2.003 -19.841 -10.594 50 2HB SER 6 2HB SER 6 2.577 -21.341 -11.297 51 HG SER 6 HG SER 6 3.570 -19.676 -12.975 52 H GLY 7 H GLY 7 -0.864 -18.871 -13.260 53 1HA GLY 7 1HA GLY 7 0.048 -17.196 -15.202 54 2HA GLY 7 2HA GLY 7 -1.232 -16.800 -14.072 55 H ARG 8 H ARG 8 0.255 -16.740 -11.615 56 HA ARG 8 HA ARG 8 1.377 -14.170 -11.909 57 1HB ARG 8 1HB ARG 8 0.929 -16.093 -9.609 58 2HB ARG 8 2HB ARG 8 1.974 -14.709 -9.357 59 1HG ARG 8 1HG ARG 8 -0.727 -14.265 -10.642 60 2HG ARG 8 2HG ARG 8 -0.658 -14.544 -8.913 61 1HD ARG 8 1HD ARG 8 -0.171 -12.336 -8.668 62 2HD ARG 8 2HD ARG 8 1.402 -12.675 -9.361 63 HE ARG 8 HE ARG 8 0.725 -11.497 -11.249 64 1HH1 ARG 8 2HH2 ARG 8 -2.135 -12.852 -9.710 65 2HH1 ARG 8 1HH2 ARG 8 -3.236 -12.151 -10.848 66 1HH2 ARG 8 2HH1 ARG 8 -0.727 -10.571 -12.751 67 2HH2 ARG 8 1HH1 ARG 8 -2.430 -10.845 -12.589 68 H THR 9 H THR 9 3.610 -13.545 -11.295 69 HA THR 9 HA THR 9 5.508 -15.737 -11.803 70 HB THR 9 HB THR 9 6.966 -13.600 -12.387 71 HG1 THR 9 HG1 THR 9 5.588 -11.790 -12.807 72 1HG2 THR 9 1HG2 THR 9 4.722 -13.681 -14.342 73 2HG2 THR 9 2HG2 THR 9 6.458 -13.973 -14.605 74 3HG2 THR 9 3HG2 THR 9 5.421 -15.277 -13.979 75 H SER 10 H SER 10 7.847 -14.505 -10.923 76 HA SER 10 HA SER 10 7.988 -15.282 -8.379 77 1HB SER 10 1HB SER 10 9.980 -13.753 -8.172 78 2HB SER 10 2HB SER 10 9.979 -14.718 -9.635 79 HG SER 10 HG SER 10 10.474 -12.321 -9.818 80 H SER 11 H SER 11 8.364 -13.909 -6.319 81 HA SER 11 HA SER 11 6.049 -12.510 -5.778 82 1HB SER 11 1HB SER 11 7.290 -13.576 -3.996 83 2HB SER 11 2HB SER 11 8.733 -12.648 -4.351 84 HG SER 11 HG SER 11 7.875 -10.838 -3.418 85 H SER 12 H SER 12 9.077 -10.849 -4.915 86 HA SER 12 HA SER 12 9.863 -8.871 -5.338 87 1HB SER 12 1HB SER 12 8.968 -9.774 -7.904 88 2HB SER 12 2HB SER 12 8.530 -8.081 -7.788 89 HG SER 12 HG SER 12 10.988 -9.170 -8.221 90 H TYR 13 H TYR 13 6.875 -9.493 -4.390 91 HA TYR 13 HA TYR 13 5.988 -6.689 -4.522 92 1HB TYR 13 1HB TYR 13 3.742 -7.621 -4.554 93 2HB TYR 13 2HB TYR 13 4.648 -8.656 -5.639 94 HD1 TYR 13 HD1 TYR 13 2.680 -8.504 -2.626 95 HD2 TYR 13 HD2 TYR 13 5.524 -10.887 -4.756 96 HE1 TYR 13 HE1 TYR 13 2.013 -10.539 -1.255 97 HE2 TYR 13 HE2 TYR 13 4.848 -12.913 -3.378 98 HH TYR 13 HH TYR 13 3.861 -13.335 -1.165 99 H ARG 14 H ARG 14 6.118 -9.701 -2.515 100 HA ARG 14 HA ARG 14 5.522 -8.080 -0.208 101 1HB ARG 14 1HB ARG 14 5.163 -10.869 -0.959 102 2HB ARG 14 2HB ARG 14 6.072 -10.800 0.537 103 1HG ARG 14 1HG ARG 14 4.293 -9.149 1.405 104 2HG ARG 14 2HG ARG 14 3.349 -9.544 -0.018 105 1HD ARG 14 1HD ARG 14 4.286 -11.997 1.269 106 2HD ARG 14 2HD ARG 14 3.452 -10.989 2.434 107 HE ARG 14 HE ARG 14 2.274 -12.266 0.056 108 1HH1 ARG 14 2HH2 ARG 14 1.879 -9.827 2.562 109 2HH1 ARG 14 1HH2 ARG 14 0.156 -9.759 2.402 110 1HH2 ARG 14 2HH1 ARG 14 0.000 -12.175 -0.155 111 2HH2 ARG 14 1HH1 ARG 14 -0.920 -11.103 0.846 112 H HIS 15 H HIS 15 8.108 -10.131 -1.650 113 HA HIS 15 HA HIS 15 9.863 -10.438 0.322 114 1HB HIS 15 1HB HIS 15 9.943 -10.340 -2.522 115 2HB HIS 15 2HB HIS 15 11.329 -9.440 -1.939 116 HD1 HIS 15 HD1 HIS 15 12.930 -10.799 -0.180 117 HD2 HIS 15 HD2 HIS 15 10.229 -13.078 -2.439 118 HE1 HIS 15 HE1 HIS 15 13.751 -13.212 -0.055 119 H ASP 16 H ASP 16 9.997 -7.496 -1.819 120 HA ASP 16 HA ASP 16 11.784 -6.059 -0.546 121 1HB ASP 16 1HB ASP 16 9.717 -4.173 -0.943 122 2HB ASP 16 2HB ASP 16 10.981 -4.598 -2.080 123 HD2 ASP 16 HD2 ASP 16 10.070 -5.650 -4.082 124 H GLU 17 H GLU 17 11.892 -4.659 1.332 125 HA GLU 17 HA GLU 17 9.992 -5.363 3.358 126 1HB GLU 17 1HB GLU 17 12.716 -4.172 3.244 127 2HB GLU 17 2HB GLU 17 11.707 -3.550 4.535 128 1HG GLU 17 1HG GLU 17 11.488 -6.479 4.286 129 2HG GLU 17 2HG GLU 17 13.142 -5.970 4.563 130 HE2 GLU 17 HE2 GLU 17 10.741 -6.034 7.606 131 H LYS 18 H LYS 18 11.502 -2.128 3.176 132 HA LYS 18 HA LYS 18 8.879 -0.955 3.471 133 1HB LYS 18 1HB LYS 18 11.711 -0.051 3.832 134 2HB LYS 18 2HB LYS 18 10.484 1.164 3.536 135 1HG LYS 18 1HG LYS 18 9.432 -0.713 5.467 136 2HG LYS 18 2HG LYS 18 11.040 -0.247 5.986 137 1HD LYS 18 1HD LYS 18 10.413 1.915 6.438 138 2HD LYS 18 2HD LYS 18 9.410 2.032 5.006 139 1HE LYS 18 1HE LYS 18 7.510 1.450 6.141 140 2HE LYS 18 2HE LYS 18 8.308 0.146 6.997 141 1HZ LYS 18 1HZ LYS 18 7.925 1.612 8.661 142 2HZ LYS 18 2HZ LYS 18 9.417 2.118 8.231 143 3HZ LYS 18 3HZ LYS 18 8.100 2.944 7.733 144 H ARG 19 H ARG 19 10.718 -2.044 0.898 145 HA ARG 19 HA ARG 19 10.544 0.130 -0.829 146 1HB ARG 19 1HB ARG 19 11.150 -2.784 -1.017 147 2HB ARG 19 2HB ARG 19 10.512 -2.094 -2.496 148 1HG ARG 19 1HG ARG 19 12.379 -0.175 -1.630 149 2HG ARG 19 2HG ARG 19 13.148 -1.699 -1.234 150 1HD ARG 19 1HD ARG 19 13.790 -1.112 -3.509 151 2HD ARG 19 2HD ARG 19 12.711 -2.490 -3.599 152 HE ARG 19 HE ARG 19 11.352 0.112 -3.790 153 1HH1 ARG 19 2HH2 ARG 19 12.898 -2.505 -5.564 154 2HH1 ARG 19 1HH2 ARG 19 12.100 -2.135 -7.057 155 1HH2 ARG 19 2HH1 ARG 19 10.300 0.600 -5.759 156 2HH2 ARG 19 1HH1 ARG 19 10.612 -0.357 -7.168 157 H ASN 20 H ASN 20 8.116 -1.787 0.570 158 HA ASN 20 HA ASN 20 6.398 -1.587 -1.755 159 1HB ASN 20 1HB ASN 20 6.615 -3.737 -0.303 160 2HB ASN 20 2HB ASN 20 5.740 -2.868 0.942 161 1HD2 ASN 20 1HD2 ASN 20 3.860 -3.909 0.973 162 2HD2 ASN 20 2HD2 ASN 20 2.753 -4.055 -0.351 163 H ILE 21 H ILE 21 7.361 0.684 0.100 164 HA ILE 21 HA ILE 21 4.970 1.396 1.555 165 HB ILE 21 HB ILE 21 6.276 3.332 2.262 166 1HG1 ILE 21 1HG1 ILE 21 8.799 3.215 1.606 167 2HG1 ILE 21 2HG1 ILE 21 8.233 2.318 0.211 168 1HG2 ILE 21 1HG2 ILE 21 8.310 1.814 3.154 169 2HG2 ILE 21 2HG2 ILE 21 6.657 1.728 3.809 170 3HG2 ILE 21 3HG2 ILE 21 7.201 0.534 2.606 171 1HD1 ILE 21 1HD1 ILE 21 6.468 4.532 0.432 172 2HD1 ILE 21 2HD1 ILE 21 8.101 5.181 0.719 173 3HD1 ILE 21 3HD1 ILE 21 7.748 4.293 -0.783 174 H TYR 22 H TYR 22 6.893 2.611 -1.266 175 HA TYR 22 HA TYR 22 5.440 4.798 -1.929 176 1HB TYR 22 1HB TYR 22 6.394 4.372 -4.143 177 2HB TYR 22 2HB TYR 22 7.514 3.642 -3.010 178 HD1 TYR 22 HD1 TYR 22 6.997 1.076 -2.448 179 HD2 TYR 22 HD2 TYR 22 5.706 3.121 -5.977 180 HE1 TYR 22 HE1 TYR 22 6.761 -1.147 -3.659 181 HE2 TYR 22 HE2 TYR 22 5.474 0.891 -7.176 182 HH TYR 22 HH TYR 22 5.038 -1.720 -6.050 183 H GLN 23 H GLN 23 4.613 1.349 -2.557 184 HA GLN 23 HA GLN 23 2.373 2.043 -4.136 185 1HB GLN 23 1HB GLN 23 3.793 -0.167 -4.085 186 2HB GLN 23 2HB GLN 23 2.749 -0.631 -2.757 187 1HG GLN 23 1HG GLN 23 0.780 0.051 -4.380 188 2HG GLN 23 2HG GLN 23 1.990 -0.073 -5.642 189 1HE2 GLN 23 1HE2 GLN 23 0.147 -1.722 -6.100 190 2HE2 GLN 23 2HE2 GLN 23 0.460 -3.355 -5.615 191 H LYS 24 H LYS 24 3.039 1.671 -0.700 192 HA LYS 24 HA LYS 24 0.384 1.131 0.108 193 1HB LYS 24 1HB LYS 24 2.915 1.215 1.295 194 2HB LYS 24 2HB LYS 24 2.029 2.504 2.083 195 1HG LYS 24 1HG LYS 24 0.376 1.046 2.928 196 2HG LYS 24 2HG LYS 24 0.660 -0.164 1.693 197 1HD LYS 24 1HD LYS 24 1.881 -1.258 3.277 198 2HD LYS 24 2HD LYS 24 3.131 -0.076 2.949 199 1HE LYS 24 1HE LYS 24 1.327 1.211 4.740 200 2HE LYS 24 2HE LYS 24 1.514 -0.417 5.359 201 1HZ LYS 24 1HZ LYS 24 3.438 1.685 5.205 202 2HZ LYS 24 2HZ LYS 24 3.371 0.407 6.220 203 3HZ LYS 24 3HZ LYS 24 4.020 0.235 4.731 204 H ILE 25 H ILE 25 2.355 4.158 0.535 205 HA ILE 25 HA ILE 25 0.306 5.801 1.234 206 HB ILE 25 HB ILE 25 2.614 6.604 -0.532 207 1HG1 ILE 25 1HG1 ILE 25 3.427 7.019 2.074 208 2HG1 ILE 25 2HG1 ILE 25 2.615 5.470 2.179 209 1HG2 ILE 25 1HG2 ILE 25 2.168 8.480 1.500 210 2HG2 ILE 25 2HG2 ILE 25 1.789 8.643 -0.232 211 3HG2 ILE 25 3HG2 ILE 25 0.552 8.041 0.898 212 1HD1 ILE 25 1HD1 ILE 25 4.552 4.573 1.395 213 2HD1 ILE 25 2HD1 ILE 25 4.077 5.229 -0.190 214 3HD1 ILE 25 3HD1 ILE 25 5.162 6.161 0.870 215 H ARG 26 H ARG 26 1.442 5.011 -2.115 216 HA ARG 26 HA ARG 26 -0.244 6.662 -3.449 217 1HB ARG 26 1HB ARG 26 1.283 4.198 -4.037 218 2HB ARG 26 2HB ARG 26 -0.144 4.343 -5.044 219 1HG ARG 26 1HG ARG 26 0.869 6.935 -5.110 220 2HG ARG 26 2HG ARG 26 2.335 5.976 -5.038 221 1HD ARG 26 1HD ARG 26 1.991 5.983 -7.343 222 2HD ARG 26 2HD ARG 26 1.112 4.526 -6.926 223 HE ARG 26 HE ARG 26 -0.721 6.673 -6.681 224 1HH1 ARG 26 2HH2 ARG 26 1.163 5.118 -9.213 225 2HH1 ARG 26 1HH2 ARG 26 0.036 5.509 -10.469 226 1HH2 ARG 26 2HH1 ARG 26 -2.208 7.189 -8.338 227 2HH2 ARG 26 1HH1 ARG 26 -1.894 6.695 -9.968 228 H ASP 27 H ASP 27 -0.927 3.678 -1.693 229 HA ASP 27 HA ASP 27 -3.379 3.177 -3.021 230 1HB ASP 27 1HB ASP 27 -1.693 1.710 -1.405 231 2HB ASP 27 2HB ASP 27 -2.955 2.119 -0.260 232 HD2 ASP 27 HD2 ASP 27 -4.080 0.405 -0.083 233 H HIS 28 H HIS 28 -2.198 5.238 -0.449 234 HA HIS 28 HA HIS 28 -4.744 5.449 0.870 235 1HB HIS 28 1HB HIS 28 -2.062 5.906 1.566 236 2HB HIS 28 2HB HIS 28 -2.800 7.495 1.557 237 HD1 HIS 28 HD1 HIS 28 -2.887 7.830 4.089 238 HD2 HIS 28 HD2 HIS 28 -4.764 4.299 2.821 239 HE1 HIS 28 HE1 HIS 28 -4.124 6.908 6.121 240 H ASP 29 H ASP 29 -2.996 6.941 -1.776 241 HA ASP 29 HA ASP 29 -4.413 9.391 -1.627 242 1HB ASP 29 1HB ASP 29 -2.117 8.525 -2.895 243 2HB ASP 29 2HB ASP 29 -3.245 8.529 -4.236 244 HD2 ASP 29 HD2 ASP 29 -2.428 11.713 -2.071 245 H LEU 30 H LEU 30 -4.792 6.178 -3.088 246 HA LEU 30 HA LEU 30 -6.479 6.751 -5.198 247 1HB LEU 30 1HB LEU 30 -6.256 4.355 -3.381 248 2HB LEU 30 2HB LEU 30 -7.314 4.395 -4.777 249 HG LEU 30 HG LEU 30 -4.338 4.899 -4.977 250 1HD1 LEU 30 1HD1 LEU 30 -5.330 2.270 -5.854 251 2HD1 LEU 30 2HD1 LEU 30 -3.838 2.714 -4.990 252 3HD1 LEU 30 3HD1 LEU 30 -5.365 2.530 -4.093 253 1HD2 LEU 30 1HD2 LEU 30 -5.901 3.753 -7.220 254 2HD2 LEU 30 2HD2 LEU 30 -6.248 5.447 -6.797 255 3HD2 LEU 30 3HD2 LEU 30 -4.590 4.957 -7.220 256 H LEU 31 H LEU 31 -6.987 7.002 -1.746 257 HA LEU 31 HA LEU 31 -9.873 6.982 -2.064 258 1HB LEU 31 1HB LEU 31 -8.344 7.551 0.461 259 2HB LEU 31 2HB LEU 31 -9.989 6.974 0.281 260 HG LEU 31 HG LEU 31 -8.200 5.086 -0.950 261 1HD1 LEU 31 1HD1 LEU 31 -7.559 5.106 1.937 262 2HD1 LEU 31 2HD1 LEU 31 -6.557 4.669 0.532 263 3HD1 LEU 31 3HD1 LEU 31 -6.787 6.381 0.964 264 1HD2 LEU 31 1HD2 LEU 31 -10.585 4.987 0.266 265 2HD2 LEU 31 2HD2 LEU 31 -9.524 3.568 0.088 266 3HD2 LEU 31 3HD2 LEU 31 -9.556 4.469 1.623 267 H ASP 32 H ASP 32 -7.837 9.044 -3.225 268 HA ASP 32 HA ASP 32 -8.015 11.401 -1.900 269 1HB ASP 32 1HB ASP 32 -7.416 10.484 -4.588 270 2HB ASP 32 2HB ASP 32 -8.368 11.950 -4.700 271 HD2 ASP 32 HD2 ASP 32 -6.434 13.216 -5.389 272 H LYS 33 H LYS 33 -10.501 9.521 -3.494 273 HA LYS 33 HA LYS 33 -12.271 11.316 -4.469 274 1HB LYS 33 1HB LYS 33 -12.402 8.620 -3.299 275 2HB LYS 33 2HB LYS 33 -13.906 9.511 -3.174 276 1HG LYS 33 1HG LYS 33 -13.407 10.129 -5.722 277 2HG LYS 33 2HG LYS 33 -12.380 8.710 -5.661 278 1HD LYS 33 1HD LYS 33 -14.160 7.284 -5.657 279 2HD LYS 33 2HD LYS 33 -15.000 8.199 -4.422 280 1HE LYS 33 1HE LYS 33 -16.006 9.669 -6.012 281 2HE LYS 33 2HE LYS 33 -14.846 9.264 -7.261 282 1HZ LYS 33 1HZ LYS 33 -17.262 7.981 -6.626 283 2HZ LYS 33 2HZ LYS 33 -16.304 7.778 -7.933 284 3HZ LYS 33 3HZ LYS 33 -16.033 6.906 -6.579 285 H ARG 34 H ARG 34 -11.382 10.741 -1.075 286 HA ARG 34 HA ARG 34 -13.497 12.533 -0.263 287 1HB ARG 34 1HB ARG 34 -11.781 10.478 1.088 288 2HB ARG 34 2HB ARG 34 -12.213 11.862 2.072 289 1HG ARG 34 1HG ARG 34 -14.573 11.005 0.633 290 2HG ARG 34 2HG ARG 34 -13.847 9.596 1.380 291 1HD ARG 34 1HD ARG 34 -15.326 10.495 3.041 292 2HD ARG 34 2HD ARG 34 -13.718 10.954 3.564 293 HE ARG 34 HE ARG 34 -14.642 13.059 1.918 294 1HH1 ARG 34 2HH2 ARG 34 -15.558 11.546 4.960 295 2HH1 ARG 34 1HH2 ARG 34 -16.264 12.988 5.611 296 1HH2 ARG 34 2HH1 ARG 34 -15.574 14.961 2.776 297 2HH2 ARG 34 1HH1 ARG 34 -16.273 14.943 4.361 298 H LYS 35 H LYS 35 -12.361 13.732 2.019 299 HA LYS 35 HA LYS 35 -11.040 15.362 2.715 300 1HB LYS 35 1HB LYS 35 -9.175 13.833 2.269 301 2HB LYS 35 2HB LYS 35 -9.096 14.378 0.606 302 1HG LYS 35 1HG LYS 35 -7.399 15.565 1.915 303 2HG LYS 35 2HG LYS 35 -8.620 16.709 1.395 304 1HD LYS 35 1HD LYS 35 -9.737 16.543 3.622 305 2HD LYS 35 2HD LYS 35 -8.539 15.376 4.144 306 1HE LYS 35 1HE LYS 35 -7.507 17.988 3.064 307 2HE LYS 35 2HE LYS 35 -8.296 18.035 4.629 308 1HZ LYS 35 1HZ LYS 35 -5.918 16.529 3.855 309 2HZ LYS 35 2HZ LYS 35 -6.111 17.564 5.103 310 3HZ LYS 35 3HZ LYS 35 -6.789 16.080 5.161 311 H THR 36 H THR 36 -10.209 17.583 2.068 312 HA THR 36 HA THR 36 -12.058 18.884 0.511 313 HB THR 36 HB THR 36 -9.188 19.843 0.839 314 HG1 THR 36 HG1 THR 36 -11.372 19.480 2.769 315 1HG2 THR 36 1HG2 THR 36 -10.905 21.734 1.885 316 2HG2 THR 36 2HG2 THR 36 -10.344 21.743 0.195 317 3HG2 THR 36 3HG2 THR 36 -11.923 21.031 0.605 318 H VAL 37 H VAL 37 -11.226 20.409 -1.437 319 HA VAL 37 HA VAL 37 -11.120 18.715 -3.632 320 HB VAL 37 HB VAL 37 -11.943 21.083 -3.492 321 1HG1 VAL 37 1HG1 VAL 37 -9.027 21.819 -3.889 322 2HG1 VAL 37 2HG1 VAL 37 -10.418 22.921 -3.757 323 3HG1 VAL 37 3HG1 VAL 37 -9.896 21.975 -2.343 324 1HG2 VAL 37 1HG2 VAL 37 -10.110 21.153 -5.803 325 2HG2 VAL 37 2HG2 VAL 37 -11.029 19.638 -5.631 326 3HG2 VAL 37 3HG2 VAL 37 -11.889 21.192 -5.742 327 H THR 38 H THR 38 -8.529 20.466 -1.839 328 HA THR 38 HA THR 38 -6.301 20.417 -2.053 329 HB THR 38 HB THR 38 -6.823 18.263 -0.904 330 HG1 THR 38 HG1 THR 38 -4.731 17.414 -1.473 331 1HG2 THR 38 1HG2 THR 38 -8.121 17.012 -2.533 332 2HG2 THR 38 2HG2 THR 38 -6.872 17.230 -3.782 333 3HG2 THR 38 3HG2 THR 38 -6.561 16.168 -2.388 334 H ALA 39 H ALA 39 -4.403 19.134 -3.492 335 HA ALA 39 HA ALA 39 -5.043 18.840 -6.218 336 1HB ALA 39 1HB ALA 39 -5.100 20.981 -6.898 337 2HB ALA 39 2HB ALA 39 -4.707 21.556 -5.259 338 3HB ALA 39 3HB ALA 39 -3.400 21.141 -6.394 339 H LEU 40 H LEU 40 -3.047 18.452 -7.514 340 HA LEU 40 HA LEU 40 -0.790 17.813 -5.742 341 1HB LEU 40 1HB LEU 40 -1.891 16.270 -8.091 342 2HB LEU 40 2HB LEU 40 -0.337 15.944 -7.351 343 HG LEU 40 HG LEU 40 -2.538 16.005 -5.409 344 1HD1 LEU 40 1HD1 LEU 40 -3.422 15.008 -7.730 345 2HD1 LEU 40 2HD1 LEU 40 -2.622 13.553 -7.089 346 3HD1 LEU 40 3HD1 LEU 40 -3.903 14.352 -6.147 347 1HD2 LEU 40 1HD2 LEU 40 -1.343 14.361 -4.376 348 2HD2 LEU 40 2HD2 LEU 40 -0.817 13.617 -5.906 349 3HD2 LEU 40 3HD2 LEU 40 -0.041 15.112 -5.330 350 H LYS 41 H LYS 41 0.151 19.900 -6.136 351 HA LYS 41 HA LYS 41 0.487 21.056 -8.601 352 1HB LYS 41 1HB LYS 41 1.852 22.541 -7.527 353 2HB LYS 41 2HB LYS 41 1.035 21.839 -6.145 354 1HG LYS 41 1HG LYS 41 2.917 20.299 -5.747 355 2HG LYS 41 2HG LYS 41 3.713 20.833 -7.214 356 1HD LYS 41 1HD LYS 41 4.818 22.275 -5.818 357 2HD LYS 41 2HD LYS 41 3.369 23.250 -5.964 358 1HE LYS 41 1HE LYS 41 2.993 23.031 -3.739 359 2HE LYS 41 2HE LYS 41 2.834 21.296 -3.933 360 1HZ LYS 41 1HZ LYS 41 5.373 22.729 -3.558 361 2HZ LYS 41 2HZ LYS 41 4.595 21.858 -2.417 362 3HZ LYS 41 3HZ LYS 41 5.219 21.112 -3.729 363 H ALA 42 H ALA 42 2.962 21.398 -9.469 364 HA ALA 42 HA ALA 42 4.586 19.100 -9.462 365 1HB ALA 42 1HB ALA 42 3.655 19.251 -12.209 366 2HB ALA 42 2HB ALA 42 3.743 17.843 -11.124 367 3HB ALA 42 3HB ALA 42 2.302 18.887 -11.112 368 H GLY 43 H GLY 43 6.610 19.820 -9.948 369 1HA GLY 43 1HA GLY 43 6.963 21.907 -11.938 370 2HA GLY 43 2HA GLY 43 7.356 22.359 -10.291 371 H GLU 44 H GLU 44 9.273 21.644 -9.333 372 HA GLU 44 HA GLU 44 10.649 19.411 -10.357 373 1HB GLU 44 1HB GLU 44 11.229 21.003 -12.153 374 2HB GLU 44 2HB GLU 44 11.794 22.170 -10.974 375 1HG GLU 44 1HG GLU 44 13.799 21.103 -10.696 376 2HG GLU 44 2HG GLU 44 13.054 19.518 -10.628 377 HE2 GLU 44 HE2 GLU 44 14.008 18.788 -13.809 378 H ASP 45 H ASP 45 11.196 22.626 -8.740 379 HA ASP 45 HA ASP 45 12.766 21.248 -6.751 380 1HB ASP 45 1HB ASP 45 13.075 23.688 -7.958 381 2HB ASP 45 2HB ASP 45 12.191 24.181 -6.527 382 HD2 ASP 45 HD2 ASP 45 13.559 23.003 -4.381 Start of MODEL 20 1 H MET 1 H MET 1 14.176 1.678 -27.617 2 HA MET 1 HA MET 1 14.637 -0.228 -28.554 3 1HB MET 1 1HB MET 1 17.271 0.831 -27.689 4 2HB MET 1 2HB MET 1 17.289 -0.913 -27.856 5 1HG MET 1 1HG MET 1 16.628 -0.813 -30.170 6 2HG MET 1 2HG MET 1 16.125 0.861 -30.040 7 1HE MET 1 1HE MET 1 19.323 -1.128 -31.488 8 2HE MET 1 2HE MET 1 20.285 -0.906 -30.007 9 3HE MET 1 3HE MET 1 18.692 -1.697 -29.925 10 H PHE 2 H PHE 2 15.468 -2.619 -28.133 11 HA PHE 2 HA PHE 2 15.194 -4.461 -26.953 12 1HB PHE 2 1HB PHE 2 17.220 -3.629 -25.795 13 2HB PHE 2 2HB PHE 2 16.269 -2.516 -24.832 14 HD1 PHE 2 HD1 PHE 2 16.421 -6.191 -25.509 15 HD2 PHE 2 HD2 PHE 2 15.885 -3.108 -22.643 16 HE1 PHE 2 HE1 PHE 2 16.252 -7.912 -23.690 17 HE2 PHE 2 HE2 PHE 2 15.715 -4.829 -20.824 18 HZ PHE 2 HZ PHE 2 15.901 -7.210 -21.369 19 H ILE 3 H ILE 3 14.030 -5.534 -25.022 20 HA ILE 3 HA ILE 3 11.533 -4.081 -24.645 21 HB ILE 3 HB ILE 3 11.529 -6.342 -25.637 22 1HG1 ILE 3 1HG1 ILE 3 9.771 -7.276 -24.038 23 2HG1 ILE 3 2HG1 ILE 3 10.098 -5.895 -23.010 24 1HG2 ILE 3 1HG2 ILE 3 12.389 -8.193 -24.670 25 2HG2 ILE 3 2HG2 ILE 3 13.446 -7.006 -23.867 26 3HG2 ILE 3 3HG2 ILE 3 12.017 -7.643 -23.018 27 1HD1 ILE 3 1HD1 ILE 3 8.225 -5.845 -24.964 28 2HD1 ILE 3 2HD1 ILE 3 9.123 -4.391 -24.468 29 3HD1 ILE 3 3HD1 ILE 3 9.630 -5.301 -25.912 30 H TRP 4 H TRP 4 10.992 -3.150 -22.739 31 HA TRP 4 HA TRP 4 12.754 -3.739 -20.468 32 1HB TRP 4 1HB TRP 4 12.126 -1.572 -19.606 33 2HB TRP 4 2HB TRP 4 12.799 -1.432 -21.218 34 HD1 TRP 4 HD1 TRP 4 11.145 -0.514 -23.151 35 HE1 TRP 4 HE1 TRP 4 8.787 0.669 -23.198 36 HE3 TRP 4 HE3 TRP 4 9.915 -1.614 -18.342 37 HZ2 TRP 4 HZ2 TRP 4 6.718 1.004 -21.261 38 HZ3 TRP 4 HZ3 TRP 4 7.707 -0.822 -17.498 39 HH2 TRP 4 HH2 TRP 4 6.132 0.445 -18.873 40 H THR 5 H THR 5 9.527 -3.996 -21.820 41 HA THR 5 HA THR 5 7.970 -4.041 -19.528 42 HB THR 5 HB THR 5 6.417 -5.345 -20.995 43 HG1 THR 5 HG1 THR 5 7.411 -6.035 -23.062 44 1HG2 THR 5 1HG2 THR 5 7.584 -2.827 -21.686 45 2HG2 THR 5 2HG2 THR 5 7.543 -3.783 -23.186 46 3HG2 THR 5 3HG2 THR 5 6.042 -3.491 -22.276 47 H SER 6 H SER 6 9.726 -6.775 -21.129 48 HA SER 6 HA SER 6 9.302 -8.220 -18.632 49 1HB SER 6 1HB SER 6 9.261 -9.036 -21.497 50 2HB SER 6 2HB SER 6 10.097 -10.148 -20.431 51 HG SER 6 HG SER 6 8.011 -10.841 -20.292 52 H GLY 7 H GLY 7 11.253 -6.655 -18.083 53 1HA GLY 7 1HA GLY 7 13.696 -8.225 -18.468 54 2HA GLY 7 2HA GLY 7 13.709 -6.550 -18.983 55 H ARG 8 H ARG 8 13.804 -8.758 -16.264 56 HA ARG 8 HA ARG 8 13.062 -7.256 -14.182 57 1HB ARG 8 1HB ARG 8 14.472 -8.654 -12.822 58 2HB ARG 8 2HB ARG 8 14.035 -9.640 -14.203 59 1HG ARG 8 1HG ARG 8 16.284 -8.553 -15.227 60 2HG ARG 8 2HG ARG 8 16.688 -8.379 -13.531 61 1HD ARG 8 1HD ARG 8 16.865 -10.667 -13.188 62 2HD ARG 8 2HD ARG 8 15.583 -11.049 -14.320 63 HE ARG 8 HE ARG 8 18.425 -10.842 -14.926 64 1HH1 ARG 8 2HH2 ARG 8 15.203 -10.504 -16.298 65 2HH1 ARG 8 1HH2 ARG 8 15.724 -10.803 -17.922 66 1HH2 ARG 8 2HH1 ARG 8 19.114 -11.236 -17.069 67 2HH2 ARG 8 1HH1 ARG 8 17.963 -11.222 -18.364 68 H THR 9 H THR 9 14.222 -5.831 -12.648 69 HA THR 9 HA THR 9 16.471 -4.422 -13.931 70 HB THR 9 HB THR 9 15.421 -2.490 -12.415 71 HG1 THR 9 HG1 THR 9 13.175 -4.250 -13.071 72 1HG2 THR 9 1HG2 THR 9 13.917 -1.815 -14.233 73 2HG2 THR 9 2HG2 THR 9 15.372 -2.532 -14.965 74 3HG2 THR 9 3HG2 THR 9 13.869 -3.480 -14.862 75 H SER 10 H SER 10 17.228 -2.816 -11.787 76 HA SER 10 HA SER 10 19.047 -4.262 -10.541 77 1HB SER 10 1HB SER 10 17.513 -2.123 -9.021 78 2HB SER 10 2HB SER 10 19.216 -2.514 -8.892 79 HG SER 10 HG SER 10 19.299 -1.869 -11.275 80 H SER 11 H SER 11 19.283 -5.395 -8.495 81 HA SER 11 HA SER 11 16.868 -6.750 -7.777 82 1HB SER 11 1HB SER 11 19.723 -7.272 -7.659 83 2HB SER 11 2HB SER 11 19.023 -7.540 -6.075 84 HG SER 11 HG SER 11 17.284 -8.765 -7.456 85 H SER 12 H SER 12 18.311 -3.849 -6.903 86 HA SER 12 HA SER 12 17.817 -4.110 -4.086 87 1HB SER 12 1HB SER 12 19.777 -2.820 -5.017 88 2HB SER 12 2HB SER 12 18.654 -1.663 -5.704 89 HG SER 12 HG SER 12 18.443 -0.723 -3.792 90 H TYR 13 H TYR 13 15.482 -4.585 -5.598 91 HA TYR 13 HA TYR 13 13.971 -2.089 -5.206 92 1HB TYR 13 1HB TYR 13 12.604 -2.902 -7.060 93 2HB TYR 13 2HB TYR 13 14.258 -3.201 -7.555 94 HD1 TYR 13 HD1 TYR 13 11.046 -4.680 -6.864 95 HD2 TYR 13 HD2 TYR 13 15.216 -5.551 -7.265 96 HE1 TYR 13 HE1 TYR 13 10.507 -7.141 -7.207 97 HE2 TYR 13 HE2 TYR 13 14.662 -8.009 -7.607 98 HH TYR 13 HH TYR 13 12.982 -9.548 -7.188 99 H ARG 14 H ARG 14 13.891 -5.701 -4.945 100 HA ARG 14 HA ARG 14 11.594 -5.416 -3.219 101 1HB ARG 14 1HB ARG 14 12.616 -7.473 -5.031 102 2HB ARG 14 2HB ARG 14 12.336 -8.166 -3.446 103 1HG ARG 14 1HG ARG 14 10.215 -6.366 -4.634 104 2HG ARG 14 2HG ARG 14 10.362 -8.004 -5.240 105 1HD ARG 14 1HD ARG 14 10.375 -7.732 -2.257 106 2HD ARG 14 2HD ARG 14 8.864 -7.325 -3.044 107 HE ARG 14 HE ARG 14 9.637 -9.733 -4.233 108 1HH1 ARG 14 2HH2 ARG 14 9.005 -8.649 -0.946 109 2HH1 ARG 14 1HH2 ARG 14 8.481 -10.206 -0.397 110 1HH2 ARG 14 2HH1 ARG 14 8.947 -11.788 -3.509 111 2HH2 ARG 14 1HH1 ARG 14 8.448 -12.004 -1.865 112 H HIS 15 H HIS 15 15.056 -6.116 -3.223 113 HA HIS 15 HA HIS 15 15.375 -7.608 -0.974 114 1HB HIS 15 1HB HIS 15 17.019 -5.465 -2.286 115 2HB HIS 15 2HB HIS 15 17.549 -6.140 -0.759 116 HD1 HIS 15 HD1 HIS 15 19.527 -6.782 -2.733 117 HD2 HIS 15 HD2 HIS 15 16.009 -9.056 -2.519 118 HE1 HIS 15 HE1 HIS 15 20.037 -8.998 -3.891 119 H ASP 16 H ASP 16 14.802 -4.061 -1.256 120 HA ASP 16 HA ASP 16 15.025 -3.724 1.555 121 1HB ASP 16 1HB ASP 16 13.574 -1.649 0.001 122 2HB ASP 16 2HB ASP 16 14.946 -1.475 1.077 123 HD2 ASP 16 HD2 ASP 16 16.354 -0.215 -1.121 124 H GLU 17 H GLU 17 13.252 -3.451 3.041 125 HA GLU 17 HA GLU 17 10.783 -4.552 2.090 126 1HB GLU 17 1HB GLU 17 12.196 -4.418 4.600 127 2HB GLU 17 2HB GLU 17 10.608 -3.715 4.837 128 1HG GLU 17 1HG GLU 17 9.482 -5.704 4.220 129 2HG GLU 17 2HG GLU 17 10.849 -6.321 3.315 130 HE2 GLU 17 HE2 GLU 17 12.382 -7.748 6.015 131 H LYS 18 H LYS 18 12.197 -1.422 2.826 132 HA LYS 18 HA LYS 18 9.644 -0.134 3.173 133 1HB LYS 18 1HB LYS 18 12.523 0.717 3.232 134 2HB LYS 18 2HB LYS 18 11.277 1.930 3.015 135 1HG LYS 18 1HG LYS 18 10.356 0.213 5.110 136 2HG LYS 18 2HG LYS 18 12.048 0.523 5.444 137 1HD LYS 18 1HD LYS 18 10.417 2.897 4.610 138 2HD LYS 18 2HD LYS 18 10.038 2.218 6.181 139 1HE LYS 18 1HE LYS 18 12.335 2.496 6.950 140 2HE LYS 18 2HE LYS 18 12.889 2.903 5.338 141 1HZ LYS 18 1HZ LYS 18 11.912 4.618 7.250 142 2HZ LYS 18 2HZ LYS 18 12.359 4.987 5.723 143 3HZ LYS 18 3HZ LYS 18 10.803 4.613 6.051 144 H ARG 19 H ARG 19 10.908 -1.616 0.589 145 HA ARG 19 HA ARG 19 10.499 0.573 -1.243 146 1HB ARG 19 1HB ARG 19 11.799 -2.122 -1.347 147 2HB ARG 19 2HB ARG 19 11.015 -1.622 -2.833 148 1HG ARG 19 1HG ARG 19 12.479 0.643 -1.797 149 2HG ARG 19 2HG ARG 19 13.548 -0.746 -1.771 150 1HD ARG 19 1HD ARG 19 12.510 -1.129 -4.237 151 2HD ARG 19 2HD ARG 19 12.236 0.599 -4.130 152 HE ARG 19 HE ARG 19 14.949 -0.237 -3.356 153 1HH1 ARG 19 2HH2 ARG 19 12.863 0.812 -5.989 154 2HH1 ARG 19 1HH2 ARG 19 14.174 1.363 -6.978 155 1HH2 ARG 19 2HH1 ARG 19 16.679 0.490 -4.661 156 2HH2 ARG 19 1HH1 ARG 19 16.359 1.178 -6.218 157 H ASN 20 H ASN 20 8.645 -1.726 0.371 158 HA ASN 20 HA ASN 20 6.822 -1.974 -1.890 159 1HB ASN 20 1HB ASN 20 7.794 -4.083 -0.643 160 2HB ASN 20 2HB ASN 20 6.705 -3.645 0.658 161 1HD2 ASN 20 1HD2 ASN 20 5.341 -5.334 0.514 162 2HD2 ASN 20 2HD2 ASN 20 4.285 -5.652 -0.822 163 H ILE 21 H ILE 21 7.178 0.360 -0.015 164 HA ILE 21 HA ILE 21 4.632 0.210 1.439 165 HB ILE 21 HB ILE 21 5.538 1.318 3.141 166 1HG1 ILE 21 1HG1 ILE 21 5.691 3.404 1.799 167 2HG1 ILE 21 2HG1 ILE 21 6.943 3.254 3.016 168 1HG2 ILE 21 1HG2 ILE 21 8.043 0.396 1.715 169 2HG2 ILE 21 2HG2 ILE 21 8.007 0.980 3.396 170 3HG2 ILE 21 3HG2 ILE 21 7.097 -0.481 2.942 171 1HD1 ILE 21 1HD1 ILE 21 7.880 2.006 0.575 172 2HD1 ILE 21 2HD1 ILE 21 7.279 3.641 0.207 173 3HD1 ILE 21 3HD1 ILE 21 8.550 3.414 1.433 174 H TYR 22 H TYR 22 6.649 2.024 -0.894 175 HA TYR 22 HA TYR 22 5.347 4.346 -1.193 176 1HB TYR 22 1HB TYR 22 6.124 4.157 -3.538 177 2HB TYR 22 2HB TYR 22 7.284 3.312 -2.533 178 HD1 TYR 22 HD1 TYR 22 7.108 0.762 -2.353 179 HD2 TYR 22 HD2 TYR 22 4.992 3.041 -5.292 180 HE1 TYR 22 HE1 TYR 22 6.788 -1.333 -3.758 181 HE2 TYR 22 HE2 TYR 22 4.679 0.938 -6.687 182 HH TYR 22 HH TYR 22 4.822 -1.957 -5.635 183 H GLN 23 H GLN 23 4.270 1.158 -2.534 184 HA GLN 23 HA GLN 23 2.105 2.172 -3.912 185 1HB GLN 23 1HB GLN 23 3.257 -0.240 -3.802 186 2HB GLN 23 2HB GLN 23 1.973 -0.565 -2.654 187 1HG GLN 23 1HG GLN 23 0.303 0.274 -4.380 188 2HG GLN 23 2HG GLN 23 1.621 0.418 -5.525 189 1HE2 GLN 23 1HE2 GLN 23 2.231 -1.281 -6.667 190 2HE2 GLN 23 2HE2 GLN 23 1.707 -2.916 -6.441 191 H LYS 24 H LYS 24 2.522 1.183 -0.491 192 HA LYS 24 HA LYS 24 -0.121 1.052 0.267 193 1HB LYS 24 1HB LYS 24 2.394 0.954 1.497 194 2HB LYS 24 2HB LYS 24 1.567 2.274 2.298 195 1HG LYS 24 1HG LYS 24 -0.307 0.861 2.905 196 2HG LYS 24 2HG LYS 24 0.228 -0.425 1.842 197 1HD LYS 24 1HD LYS 24 2.349 -0.602 3.261 198 2HD LYS 24 2HD LYS 24 1.624 0.534 4.381 199 1HE LYS 24 1HE LYS 24 -0.256 -0.998 4.807 200 2HE LYS 24 2HE LYS 24 0.304 -2.097 3.562 201 1HZ LYS 24 1HZ LYS 24 1.653 -1.461 6.088 202 2HZ LYS 24 2HZ LYS 24 1.052 -2.905 5.616 203 3HZ LYS 24 3HZ LYS 24 2.378 -2.293 4.884 204 H ILE 25 H ILE 25 2.009 3.917 0.937 205 HA ILE 25 HA ILE 25 0.015 5.666 1.530 206 HB ILE 25 HB ILE 25 2.542 6.361 0.035 207 1HG1 ILE 25 1HG1 ILE 25 3.122 6.663 2.703 208 2HG1 ILE 25 2HG1 ILE 25 2.154 5.202 2.718 209 1HG2 ILE 25 1HG2 ILE 25 1.049 7.944 2.137 210 2HG2 ILE 25 2HG2 ILE 25 2.407 8.478 1.118 211 3HG2 ILE 25 3HG2 ILE 25 0.818 8.155 0.385 212 1HD1 ILE 25 1HD1 ILE 25 4.081 5.231 0.487 213 2HD1 ILE 25 2HD1 ILE 25 4.866 5.350 2.080 214 3HD1 ILE 25 3HD1 ILE 25 3.791 3.979 1.718 215 H ARG 26 H ARG 26 1.388 4.912 -1.734 216 HA ARG 26 HA ARG 26 -0.064 6.747 -3.125 217 1HB ARG 26 1HB ARG 26 1.369 4.219 -3.711 218 2HB ARG 26 2HB ARG 26 0.073 4.536 -4.847 219 1HG ARG 26 1HG ARG 26 1.250 7.042 -4.638 220 2HG ARG 26 2HG ARG 26 2.637 5.988 -4.453 221 1HD ARG 26 1HD ARG 26 2.475 6.320 -6.807 222 2HD ARG 26 2HD ARG 26 1.780 4.731 -6.556 223 HE ARG 26 HE ARG 26 -0.425 6.364 -6.352 224 1HH1 ARG 26 2HH2 ARG 26 2.127 6.093 -8.758 225 2HH1 ARG 26 1HH2 ARG 26 1.121 6.609 -10.070 226 1HH2 ARG 26 2HH1 ARG 26 -1.754 7.045 -8.082 227 2HH2 ARG 26 1HH1 ARG 26 -1.101 7.155 -9.683 228 H ASP 27 H ASP 27 -1.048 3.698 -1.633 229 HA ASP 27 HA ASP 27 -3.395 3.428 -3.201 230 1HB ASP 27 1HB ASP 27 -1.921 1.792 -1.485 231 2HB ASP 27 2HB ASP 27 -3.351 2.132 -0.531 232 HD2 ASP 27 HD2 ASP 27 -2.888 1.156 -3.984 233 H HIS 28 H HIS 28 -2.342 5.248 -0.409 234 HA HIS 28 HA HIS 28 -4.981 5.497 0.713 235 1HB HIS 28 1HB HIS 28 -2.306 5.836 1.618 236 2HB HIS 28 2HB HIS 28 -3.096 7.392 1.771 237 HD1 HIS 28 HD1 HIS 28 -3.287 7.344 4.331 238 HD2 HIS 28 HD2 HIS 28 -5.081 4.047 2.459 239 HE1 HIS 28 HE1 HIS 28 -4.627 6.138 6.137 240 H ASP 29 H ASP 29 -3.174 6.885 -1.849 241 HA ASP 29 HA ASP 29 -4.407 9.463 -1.575 242 1HB ASP 29 1HB ASP 29 -2.031 8.614 -2.671 243 2HB ASP 29 2HB ASP 29 -3.022 8.695 -4.114 244 HD2 ASP 29 HD2 ASP 29 -1.104 11.637 -3.346 245 H LEU 30 H LEU 30 -4.738 6.370 -3.295 246 HA LEU 30 HA LEU 30 -6.226 7.153 -5.488 247 1HB LEU 30 1HB LEU 30 -6.249 4.611 -3.861 248 2HB LEU 30 2HB LEU 30 -7.119 4.804 -5.370 249 HG LEU 30 HG LEU 30 -4.119 5.111 -5.072 250 1HD1 LEU 30 1HD1 LEU 30 -5.473 2.780 -6.407 251 2HD1 LEU 30 2HD1 LEU 30 -3.809 2.925 -5.792 252 3HD1 LEU 30 3HD1 LEU 30 -5.169 2.782 -4.653 253 1HD2 LEU 30 1HD2 LEU 30 -4.479 4.632 -7.680 254 2HD2 LEU 30 2HD2 LEU 30 -6.019 5.453 -7.333 255 3HD2 LEU 30 3HD2 LEU 30 -4.477 6.271 -6.987 256 H LEU 31 H LEU 31 -7.026 7.111 -2.076 257 HA LEU 31 HA LEU 31 -9.871 7.274 -2.674 258 1HB LEU 31 1HB LEU 31 -8.587 7.362 0.044 259 2HB LEU 31 2HB LEU 31 -10.238 6.949 -0.373 260 HG LEU 31 HG LEU 31 -8.445 5.125 -1.700 261 1HD1 LEU 31 1HD1 LEU 31 -7.804 5.758 1.145 262 2HD1 LEU 31 2HD1 LEU 31 -7.790 4.052 0.636 263 3HD1 LEU 31 3HD1 LEU 31 -6.744 5.235 -0.186 264 1HD2 LEU 31 1HD2 LEU 31 -10.935 4.969 -0.913 265 2HD2 LEU 31 2HD2 LEU 31 -9.903 3.519 -0.924 266 3HD2 LEU 31 3HD2 LEU 31 -10.214 4.377 0.604 267 H ASP 32 H ASP 32 -7.641 9.343 -3.327 268 HA ASP 32 HA ASP 32 -7.739 11.489 -1.722 269 1HB ASP 32 1HB ASP 32 -7.145 10.935 -4.500 270 2HB ASP 32 2HB ASP 32 -8.037 12.441 -4.429 271 HD2 ASP 32 HD2 ASP 32 -4.785 11.664 -2.448 272 H LYS 33 H LYS 33 -10.298 10.069 -3.683 273 HA LYS 33 HA LYS 33 -11.938 12.104 -4.331 274 1HB LYS 33 1HB LYS 33 -12.259 9.261 -3.648 275 2HB LYS 33 2HB LYS 33 -13.708 10.210 -3.387 276 1HG LYS 33 1HG LYS 33 -13.125 11.225 -5.782 277 2HG LYS 33 2HG LYS 33 -12.176 9.763 -5.959 278 1HD LYS 33 1HD LYS 33 -14.029 8.446 -6.196 279 2HD LYS 33 2HD LYS 33 -14.861 9.219 -4.861 280 1HE LYS 33 1HE LYS 33 -16.207 10.170 -6.434 281 2HE LYS 33 2HE LYS 33 -14.860 11.232 -6.791 282 1HZ LYS 33 1HZ LYS 33 -14.512 10.195 -8.699 283 2HZ LYS 33 2HZ LYS 33 -14.627 8.699 -8.056 284 3HZ LYS 33 3HZ LYS 33 -15.977 9.499 -8.510 285 H ARG 34 H ARG 34 -11.458 10.666 -1.063 286 HA ARG 34 HA ARG 34 -13.420 12.409 0.033 287 1HB ARG 34 1HB ARG 34 -11.784 10.118 0.930 288 2HB ARG 34 2HB ARG 34 -11.896 11.359 2.163 289 1HG ARG 34 1HG ARG 34 -14.515 11.013 0.971 290 2HG ARG 34 2HG ARG 34 -13.891 9.434 1.405 291 1HD ARG 34 1HD ARG 34 -13.500 11.587 3.454 292 2HD ARG 34 2HD ARG 34 -15.160 11.099 3.174 293 HE ARG 34 HE ARG 34 -13.520 8.752 3.424 294 1HH1 ARG 34 2HH2 ARG 34 -14.866 11.361 5.364 295 2HH1 ARG 34 1HH2 ARG 34 -14.897 10.430 6.824 296 1HH2 ARG 34 2HH1 ARG 34 -13.561 7.524 5.350 297 2HH2 ARG 34 1HH1 ARG 34 -14.150 8.233 6.817 298 H LYS 35 H LYS 35 -12.198 13.179 2.502 299 HA LYS 35 HA LYS 35 -10.902 14.708 3.432 300 1HB LYS 35 1HB LYS 35 -8.999 13.403 2.679 301 2HB LYS 35 2HB LYS 35 -9.054 14.148 1.095 302 1HG LYS 35 1HG LYS 35 -8.984 16.249 3.088 303 2HG LYS 35 2HG LYS 35 -7.713 15.098 3.454 304 1HD LYS 35 1HD LYS 35 -7.470 15.330 0.699 305 2HD LYS 35 2HD LYS 35 -7.981 16.948 1.140 306 1HE LYS 35 1HE LYS 35 -5.621 15.449 2.379 307 2HE LYS 35 2HE LYS 35 -5.492 16.712 1.172 308 1HZ LYS 35 1HZ LYS 35 -6.338 18.273 2.675 309 2HZ LYS 35 2HZ LYS 35 -6.831 17.142 3.744 310 3HZ LYS 35 3HZ LYS 35 -5.237 17.419 3.527 311 H THR 36 H THR 36 -10.166 15.518 -0.019 312 HA THR 36 HA THR 36 -10.715 18.238 0.343 313 HB THR 36 HB THR 36 -10.667 16.505 -2.185 314 HG1 THR 36 HG1 THR 36 -8.456 16.716 -1.870 315 1HG2 THR 36 1HG2 THR 36 -11.429 18.685 -2.867 316 2HG2 THR 36 2HG2 THR 36 -10.402 19.501 -1.663 317 3HG2 THR 36 3HG2 THR 36 -9.663 18.734 -3.090 318 H VAL 37 H VAL 37 -12.395 19.505 -0.909 319 HA VAL 37 HA VAL 37 -14.943 18.053 -0.898 320 HB VAL 37 HB VAL 37 -14.452 19.469 1.179 321 1HG1 VAL 37 1HG1 VAL 37 -13.469 21.411 0.103 322 2HG1 VAL 37 2HG1 VAL 37 -14.960 21.689 -0.830 323 3HG1 VAL 37 3HG1 VAL 37 -14.967 21.887 0.939 324 1HG2 VAL 37 1HG2 VAL 37 -16.687 19.620 1.502 325 2HG2 VAL 37 2HG2 VAL 37 -16.953 20.528 -0.005 326 3HG2 VAL 37 3HG2 VAL 37 -16.767 18.759 -0.053 327 H THR 38 H THR 38 -16.660 19.855 -1.889 328 HA THR 38 HA THR 38 -15.457 20.501 -4.482 329 HB THR 38 HB THR 38 -18.148 20.755 -4.829 330 HG1 THR 38 HG1 THR 38 -18.469 20.304 -2.516 331 1HG2 THR 38 1HG2 THR 38 -17.457 17.892 -4.495 332 2HG2 THR 38 2HG2 THR 38 -17.973 18.761 -5.960 333 3HG2 THR 38 3HG2 THR 38 -16.263 18.785 -5.467 334 H ALA 39 H ALA 39 -17.110 22.428 -5.466 335 HA ALA 39 HA ALA 39 -17.575 24.540 -3.666 336 1HB ALA 39 1HB ALA 39 -15.264 25.232 -5.436 337 2HB ALA 39 2HB ALA 39 -15.695 25.853 -3.824 338 3HB ALA 39 3HB ALA 39 -14.918 24.259 -3.986 339 H LEU 40 H LEU 40 -18.372 26.477 -4.826 340 HA LEU 40 HA LEU 40 -19.868 27.197 -6.325 341 1HB LEU 40 1HB LEU 40 -17.339 26.707 -7.864 342 2HB LEU 40 2HB LEU 40 -18.748 27.378 -8.660 343 HG LEU 40 HG LEU 40 -18.055 28.755 -6.155 344 1HD1 LEU 40 1HD1 LEU 40 -15.935 28.136 -8.043 345 2HD1 LEU 40 2HD1 LEU 40 -16.192 29.890 -7.885 346 3HD1 LEU 40 3HD1 LEU 40 -15.855 28.906 -6.441 347 1HD2 LEU 40 1HD2 LEU 40 -18.069 30.628 -8.126 348 2HD2 LEU 40 2HD2 LEU 40 -19.088 29.361 -8.851 349 3HD2 LEU 40 3HD2 LEU 40 -19.516 30.049 -7.266 350 H LYS 41 H LYS 41 -20.923 24.913 -5.704 351 HA LYS 41 HA LYS 41 -20.925 22.938 -7.706 352 1HB LYS 41 1HB LYS 41 -22.208 23.444 -5.142 353 2HB LYS 41 2HB LYS 41 -23.330 22.735 -6.285 354 1HG LYS 41 1HG LYS 41 -20.601 21.515 -6.259 355 2HG LYS 41 2HG LYS 41 -21.534 21.285 -4.794 356 1HD LYS 41 1HD LYS 41 -23.433 20.373 -6.142 357 2HD LYS 41 2HD LYS 41 -22.509 20.612 -7.611 358 1HE LYS 41 1HE LYS 41 -21.277 18.988 -5.375 359 2HE LYS 41 2HE LYS 41 -22.517 18.246 -6.366 360 1HZ LYS 41 1HZ LYS 41 -21.015 19.291 -8.237 361 2HZ LYS 41 2HZ LYS 41 -19.860 19.080 -7.103 362 3HZ LYS 41 3HZ LYS 41 -20.733 17.803 -7.625 363 H ALA 42 H ALA 42 -23.206 22.294 -8.730 364 HA ALA 42 HA ALA 42 -23.747 24.285 -10.627 365 1HB ALA 42 1HB ALA 42 -25.879 22.485 -10.685 366 2HB ALA 42 2HB ALA 42 -24.349 22.331 -11.582 367 3HB ALA 42 3HB ALA 42 -24.539 21.532 -10.003 368 H GLY 43 H GLY 43 -24.643 26.222 -10.069 369 1HA GLY 43 1HA GLY 43 -27.246 26.628 -9.520 370 2HA GLY 43 2HA GLY 43 -26.576 26.378 -7.920 371 H GLU 44 H GLU 44 -24.915 27.843 -7.096 372 HA GLU 44 HA GLU 44 -23.875 29.925 -8.547 373 1HB GLU 44 1HB GLU 44 -26.150 30.798 -8.774 374 2HB GLU 44 2HB GLU 44 -26.425 30.663 -7.048 375 1HG GLU 44 1HG GLU 44 -24.987 32.470 -6.535 376 2HG GLU 44 2HG GLU 44 -24.092 32.321 -8.034 377 HE2 GLU 44 HE2 GLU 44 -24.543 34.374 -8.825 378 H ASP 45 H ASP 45 -25.475 29.407 -5.316 379 HA ASP 45 HA ASP 45 -23.171 30.534 -4.045 380 1HB ASP 45 1HB ASP 45 -24.572 29.772 -1.942 381 2HB ASP 45 2HB ASP 45 -25.117 31.137 -2.896 382 HD2 ASP 45 HD2 ASP 45 -27.652 29.148 -1.812 Start of MODEL 21 1 H MET 1 H MET 1 27.858 -29.535 -12.846 2 HA MET 1 HA MET 1 26.196 -30.146 -11.198 3 1HB MET 1 1HB MET 1 27.270 -27.733 -10.021 4 2HB MET 1 2HB MET 1 25.574 -27.430 -10.340 5 1HG MET 1 1HG MET 1 25.744 -28.388 -8.109 6 2HG MET 1 2HG MET 1 25.005 -29.591 -9.147 7 1HE MET 1 1HE MET 1 25.462 -31.394 -7.533 8 2HE MET 1 2HE MET 1 27.057 -31.993 -7.016 9 3HE MET 1 3HE MET 1 26.417 -30.473 -6.346 10 H PHE 2 H PHE 2 23.817 -28.914 -11.157 11 HA PHE 2 HA PHE 2 22.975 -28.894 -13.760 12 1HB PHE 2 1HB PHE 2 21.032 -27.489 -12.610 13 2HB PHE 2 2HB PHE 2 21.340 -29.111 -12.022 14 HD1 PHE 2 HD1 PHE 2 21.093 -29.242 -9.743 15 HD2 PHE 2 HD2 PHE 2 22.912 -25.776 -11.382 16 HE1 PHE 2 HE1 PHE 2 21.450 -28.335 -7.430 17 HE2 PHE 2 HE2 PHE 2 23.269 -24.869 -9.069 18 HZ PHE 2 HZ PHE 2 22.533 -26.160 -7.120 19 H ILE 3 H ILE 3 21.446 -26.672 -14.327 20 HA ILE 3 HA ILE 3 23.519 -24.785 -15.047 21 HB ILE 3 HB ILE 3 21.753 -25.774 -16.603 22 1HG1 ILE 3 1HG1 ILE 3 21.437 -23.006 -17.212 23 2HG1 ILE 3 2HG1 ILE 3 23.022 -23.206 -16.490 24 1HG2 ILE 3 1HG2 ILE 3 19.670 -24.254 -16.673 25 2HG2 ILE 3 2HG2 ILE 3 19.728 -25.568 -15.473 26 3HG2 ILE 3 3HG2 ILE 3 20.060 -23.892 -14.974 27 1HD1 ILE 3 1HD1 ILE 3 21.892 -24.652 -18.919 28 2HD1 ILE 3 2HD1 ILE 3 23.320 -23.592 -18.840 29 3HD1 ILE 3 3HD1 ILE 3 23.363 -25.202 -18.082 30 H TRP 4 H TRP 4 21.927 -22.419 -15.213 31 HA TRP 4 HA TRP 4 21.629 -21.866 -12.342 32 1HB TRP 4 1HB TRP 4 22.177 -19.562 -12.872 33 2HB TRP 4 2HB TRP 4 23.460 -20.657 -13.349 34 HD1 TRP 4 HD1 TRP 4 23.884 -20.936 -16.040 35 HE1 TRP 4 HE1 TRP 4 23.283 -19.482 -18.159 36 HE3 TRP 4 HE3 TRP 4 20.364 -18.080 -13.735 37 HZ2 TRP 4 HZ2 TRP 4 21.444 -17.349 -18.623 38 HZ3 TRP 4 HZ3 TRP 4 19.213 -16.334 -15.092 39 HH2 TRP 4 HH2 TRP 4 19.704 -15.947 -17.455 40 H THR 5 H THR 5 20.127 -22.039 -15.512 41 HA THR 5 HA THR 5 18.177 -21.102 -16.279 42 HB THR 5 HB THR 5 17.440 -23.272 -15.737 43 HG1 THR 5 HG1 THR 5 15.461 -22.316 -15.426 44 1HG2 THR 5 1HG2 THR 5 16.893 -23.631 -13.105 45 2HG2 THR 5 2HG2 THR 5 18.486 -24.032 -13.789 46 3HG2 THR 5 3HG2 THR 5 18.246 -22.486 -12.941 47 H SER 6 H SER 6 16.860 -21.198 -12.993 48 HA SER 6 HA SER 6 16.565 -18.308 -13.225 49 1HB SER 6 1HB SER 6 14.597 -18.599 -11.696 50 2HB SER 6 2HB SER 6 14.417 -19.444 -13.221 51 HG SER 6 HG SER 6 15.083 -20.561 -10.642 52 H GLY 7 H GLY 7 18.839 -18.199 -12.316 53 1HA GLY 7 1HA GLY 7 19.041 -18.947 -9.487 54 2HA GLY 7 2HA GLY 7 20.348 -18.479 -10.557 55 H ARG 8 H ARG 8 17.262 -17.126 -9.186 56 HA ARG 8 HA ARG 8 17.670 -14.536 -9.639 57 1HB ARG 8 1HB ARG 8 16.205 -16.135 -7.658 58 2HB ARG 8 2HB ARG 8 16.715 -14.610 -6.961 59 1HG ARG 8 1HG ARG 8 15.790 -13.860 -9.499 60 2HG ARG 8 2HG ARG 8 14.680 -15.136 -9.039 61 1HD ARG 8 1HD ARG 8 13.574 -13.588 -7.792 62 2HD ARG 8 2HD ARG 8 14.930 -13.621 -6.683 63 HE ARG 8 HE ARG 8 15.661 -11.555 -7.529 64 1HH1 ARG 8 2HH2 ARG 8 13.246 -12.924 -9.691 65 2HH1 ARG 8 1HH2 ARG 8 13.104 -11.488 -10.649 66 1HH2 ARG 8 2HH1 ARG 8 15.475 -9.660 -8.793 67 2HH2 ARG 8 1HH1 ARG 8 14.381 -9.619 -10.135 68 H THR 9 H THR 9 18.673 -12.737 -8.486 69 HA THR 9 HA THR 9 20.910 -13.608 -6.782 70 HB THR 9 HB THR 9 21.746 -11.231 -7.609 71 HG1 THR 9 HG1 THR 9 20.633 -10.689 -9.608 72 1HG2 THR 9 1HG2 THR 9 22.901 -13.166 -8.501 73 2HG2 THR 9 2HG2 THR 9 21.460 -13.685 -9.408 74 3HG2 THR 9 3HG2 THR 9 22.357 -12.233 -9.915 75 H SER 10 H SER 10 21.606 -11.144 -5.682 76 HA SER 10 HA SER 10 20.205 -11.097 -3.421 77 1HB SER 10 1HB SER 10 21.078 -8.416 -4.455 78 2HB SER 10 2HB SER 10 21.368 -9.152 -2.891 79 HG SER 10 HG SER 10 22.989 -10.479 -3.791 80 H SER 11 H SER 11 18.294 -10.169 -2.606 81 HA SER 11 HA SER 11 16.391 -9.443 -4.573 82 1HB SER 11 1HB SER 11 16.345 -9.679 -1.547 83 2HB SER 11 2HB SER 11 14.966 -9.034 -2.416 84 HG SER 11 HG SER 11 14.461 -11.149 -2.452 85 H SER 12 H SER 12 16.440 -7.689 -1.479 86 HA SER 12 HA SER 12 16.695 -5.593 -0.951 87 1HB SER 12 1HB SER 12 18.700 -5.928 -2.878 88 2HB SER 12 2HB SER 12 17.840 -4.510 -3.444 89 HG SER 12 HG SER 12 19.290 -3.647 -2.028 90 H TYR 13 H TYR 13 14.685 -6.808 -3.178 91 HA TYR 13 HA TYR 13 13.496 -4.193 -3.827 92 1HB TYR 13 1HB TYR 13 12.757 -5.283 -5.886 93 2HB TYR 13 2HB TYR 13 14.428 -5.772 -5.689 94 HD1 TYR 13 HD1 TYR 13 10.961 -6.884 -5.771 95 HD2 TYR 13 HD2 TYR 13 14.974 -8.074 -4.884 96 HE1 TYR 13 HE1 TYR 13 10.266 -9.327 -5.869 97 HE2 TYR 13 HE2 TYR 13 14.265 -10.513 -4.985 98 HH TYR 13 HH TYR 13 11.780 -11.684 -4.559 99 H ARG 14 H ARG 14 12.854 -7.665 -3.014 100 HA ARG 14 HA ARG 14 10.168 -6.874 -2.295 101 1HB ARG 14 1HB ARG 14 11.459 -9.344 -3.247 102 2HB ARG 14 2HB ARG 14 10.471 -9.653 -1.833 103 1HG ARG 14 1HG ARG 14 8.537 -8.501 -2.939 104 2HG ARG 14 2HG ARG 14 9.527 -8.211 -4.356 105 1HD ARG 14 1HD ARG 14 8.283 -10.189 -4.874 106 2HD ARG 14 2HD ARG 14 9.889 -10.765 -4.476 107 HE ARG 14 HE ARG 14 8.429 -10.735 -2.051 108 1HH1 ARG 14 2HH2 ARG 14 8.289 -12.381 -5.159 109 2HH1 ARG 14 1HH2 ARG 14 7.544 -13.806 -4.514 110 1HH2 ARG 14 2HH1 ARG 14 7.447 -12.614 -1.201 111 2HH2 ARG 14 1HH1 ARG 14 7.062 -13.939 -2.248 112 H HIS 15 H HIS 15 13.284 -7.944 -0.977 113 HA HIS 15 HA HIS 15 12.427 -8.851 1.501 114 1HB HIS 15 1HB HIS 15 14.906 -8.224 0.173 115 2HB HIS 15 2HB HIS 15 14.952 -7.594 1.808 116 HD1 HIS 15 HD1 HIS 15 14.495 -9.400 3.778 117 HD2 HIS 15 HD2 HIS 15 15.242 -10.962 -0.043 118 HE1 HIS 15 HE1 HIS 15 15.084 -11.860 4.114 119 H ASP 16 H ASP 16 14.210 -5.729 1.068 120 HA ASP 16 HA ASP 16 13.623 -4.546 3.318 121 1HB ASP 16 1HB ASP 16 13.039 -2.590 1.254 122 2HB ASP 16 2HB ASP 16 14.477 -2.740 2.243 123 HD2 ASP 16 HD2 ASP 16 13.204 -4.697 -0.398 124 H GLU 17 H GLU 17 11.804 -3.651 4.387 125 HA GLU 17 HA GLU 17 9.276 -4.179 3.143 126 1HB GLU 17 1HB GLU 17 10.304 -3.927 5.850 127 2HB GLU 17 2HB GLU 17 8.912 -2.880 5.658 128 1HG GLU 17 1HG GLU 17 7.890 -5.053 4.435 129 2HG GLU 17 2HG GLU 17 9.079 -5.881 5.420 130 HE2 GLU 17 HE2 GLU 17 5.788 -4.907 5.919 131 H LYS 18 H LYS 18 11.430 -1.465 3.814 132 HA LYS 18 HA LYS 18 9.365 0.505 3.466 133 1HB LYS 18 1HB LYS 18 12.312 0.529 4.024 134 2HB LYS 18 2HB LYS 18 11.557 1.981 3.399 135 1HG LYS 18 1HG LYS 18 9.745 1.247 5.356 136 2HG LYS 18 2HG LYS 18 11.246 0.680 6.061 137 1HD LYS 18 1HD LYS 18 11.493 2.833 6.784 138 2HD LYS 18 2HD LYS 18 12.021 3.165 5.146 139 1HE LYS 18 1HE LYS 18 9.516 3.551 4.579 140 2HE LYS 18 2HE LYS 18 9.230 3.549 6.308 141 1HZ LYS 18 1HZ LYS 18 9.819 5.719 5.037 142 2HZ LYS 18 2HZ LYS 18 10.350 5.480 6.562 143 3HZ LYS 18 3HZ LYS 18 11.358 5.239 5.300 144 H ARG 19 H ARG 19 10.603 -1.676 1.385 145 HA ARG 19 HA ARG 19 11.002 0.249 -0.741 146 1HB ARG 19 1HB ARG 19 11.783 -2.622 -0.282 147 2HB ARG 19 2HB ARG 19 11.486 -2.151 -1.944 148 1HG ARG 19 1HG ARG 19 13.059 -0.058 -0.779 149 2HG ARG 19 2HG ARG 19 13.791 -1.567 -0.273 150 1HD ARG 19 1HD ARG 19 14.816 -1.010 -2.381 151 2HD ARG 19 2HD ARG 19 13.710 -2.326 -2.720 152 HE ARG 19 HE ARG 19 12.413 -0.875 -4.022 153 1HH1 ARG 19 2HH2 ARG 19 14.550 1.019 -1.965 154 2HH1 ARG 19 1HH2 ARG 19 14.148 2.526 -2.717 155 1HH2 ARG 19 2HH1 ARG 19 11.882 1.114 -5.014 156 2HH2 ARG 19 1HH1 ARG 19 12.620 2.581 -4.463 157 H ASN 20 H ASN 20 8.597 -1.715 0.693 158 HA ASN 20 HA ASN 20 7.120 -1.744 -1.822 159 1HB ASN 20 1HB ASN 20 7.777 -3.954 -0.252 160 2HB ASN 20 2HB ASN 20 6.179 -3.559 0.350 161 1HD2 ASN 20 1HD2 ASN 20 7.209 -5.808 -1.273 162 2HD2 ASN 20 2HD2 ASN 20 6.223 -5.887 -2.695 163 H ILE 21 H ILE 21 7.288 0.503 0.026 164 HA ILE 21 HA ILE 21 4.675 0.376 1.358 165 HB ILE 21 HB ILE 21 5.812 2.564 2.408 166 1HG1 ILE 21 1HG1 ILE 21 8.193 2.028 2.928 167 2HG1 ILE 21 2HG1 ILE 21 8.133 0.724 1.759 168 1HG2 ILE 21 1HG2 ILE 21 4.825 0.820 3.718 169 2HG2 ILE 21 2HG2 ILE 21 6.135 -0.311 3.302 170 3HG2 ILE 21 3HG2 ILE 21 6.473 1.105 4.326 171 1HD1 ILE 21 1HD1 ILE 21 8.307 2.149 -0.011 172 2HD1 ILE 21 2HD1 ILE 21 7.110 3.276 0.671 173 3HD1 ILE 21 3HD1 ILE 21 8.810 3.360 1.192 174 H TYR 22 H TYR 22 6.705 1.986 -1.064 175 HA TYR 22 HA TYR 22 5.320 4.335 -1.415 176 1HB TYR 22 1HB TYR 22 6.417 4.242 -3.613 177 2HB TYR 22 2HB TYR 22 7.480 3.395 -2.506 178 HD1 TYR 22 HD1 TYR 22 5.328 3.095 -5.429 179 HD2 TYR 22 HD2 TYR 22 7.590 0.900 -2.536 180 HE1 TYR 22 HE1 TYR 22 5.260 1.041 -6.925 181 HE2 TYR 22 HE2 TYR 22 7.514 -1.148 -4.042 182 HH TYR 22 HH TYR 22 7.128 -1.817 -6.147 183 H GLN 23 H GLN 23 4.641 1.054 -2.777 184 HA GLN 23 HA GLN 23 2.507 1.976 -4.348 185 1HB GLN 23 1HB GLN 23 3.980 -0.312 -4.285 186 2HB GLN 23 2HB GLN 23 2.552 -0.877 -3.440 187 1HG GLN 23 1HG GLN 23 1.150 -0.567 -5.295 188 2HG GLN 23 2HG GLN 23 2.143 0.707 -5.973 189 1HE2 GLN 23 1HE2 GLN 23 1.692 -2.720 -5.580 190 2HE2 GLN 23 2HE2 GLN 23 2.811 -3.265 -6.784 191 H LYS 24 H LYS 24 2.859 1.713 -0.994 192 HA LYS 24 HA LYS 24 0.142 0.865 -0.481 193 1HB LYS 24 1HB LYS 24 2.388 0.437 0.896 194 2HB LYS 24 2HB LYS 24 1.934 1.951 1.651 195 1HG LYS 24 1HG LYS 24 0.331 0.914 2.874 196 2HG LYS 24 2HG LYS 24 -0.441 0.316 1.419 197 1HD LYS 24 1HD LYS 24 1.617 -1.430 1.484 198 2HD LYS 24 2HD LYS 24 1.585 -1.039 3.192 199 1HE LYS 24 1HE LYS 24 -1.139 -1.429 2.471 200 2HE LYS 24 2HE LYS 24 -0.262 -2.704 1.648 201 1HZ LYS 24 1HZ LYS 24 0.235 -2.115 4.470 202 2HZ LYS 24 2HZ LYS 24 -0.976 -3.110 4.013 203 3HZ LYS 24 3HZ LYS 24 0.571 -3.484 3.646 204 H ILE 25 H ILE 25 2.137 3.783 0.386 205 HA ILE 25 HA ILE 25 0.096 5.387 1.185 206 HB ILE 25 HB ILE 25 2.470 6.327 -0.418 207 1HG1 ILE 25 1HG1 ILE 25 3.208 6.437 2.244 208 2HG1 ILE 25 2HG1 ILE 25 2.378 4.897 2.145 209 1HG2 ILE 25 1HG2 ILE 25 0.374 7.696 0.876 210 2HG2 ILE 25 2HG2 ILE 25 1.811 7.886 1.909 211 3HG2 ILE 25 3HG2 ILE 25 1.874 8.372 0.197 212 1HD1 ILE 25 1HD1 ILE 25 3.837 4.688 -0.122 213 2HD1 ILE 25 2HD1 ILE 25 4.898 5.792 0.785 214 3HD1 ILE 25 3HD1 ILE 25 4.477 4.202 1.466 215 H ARG 26 H ARG 26 1.333 4.935 -2.191 216 HA ARG 26 HA ARG 26 -0.291 6.744 -3.392 217 1HB ARG 26 1HB ARG 26 1.229 4.335 -4.195 218 2HB ARG 26 2HB ARG 26 -0.158 4.616 -5.229 219 1HG ARG 26 1HG ARG 26 0.888 7.181 -4.974 220 2HG ARG 26 2HG ARG 26 2.340 6.200 -4.947 221 1HD ARG 26 1HD ARG 26 2.106 6.435 -7.248 222 2HD ARG 26 2HD ARG 26 1.155 4.980 -7.028 223 HE ARG 26 HE ARG 26 -0.652 7.088 -6.635 224 1HH1 ARG 26 2HH2 ARG 26 1.458 6.009 -9.236 225 2HH1 ARG 26 1HH2 ARG 26 0.445 6.641 -10.492 226 1HH2 ARG 26 2HH1 ARG 26 -1.988 7.923 -8.291 227 2HH2 ARG 26 1HH1 ARG 26 -1.528 7.737 -9.950 228 H ASP 27 H ASP 27 -1.058 3.592 -1.999 229 HA ASP 27 HA ASP 27 -3.457 3.251 -3.456 230 1HB ASP 27 1HB ASP 27 -1.851 1.633 -1.893 231 2HB ASP 27 2HB ASP 27 -3.176 1.940 -0.789 232 HD2 ASP 27 HD2 ASP 27 -3.412 -0.872 -3.308 233 H HIS 28 H HIS 28 -2.379 5.063 -0.662 234 HA HIS 28 HA HIS 28 -5.027 5.216 0.489 235 1HB HIS 28 1HB HIS 28 -2.399 5.399 1.479 236 2HB HIS 28 2HB HIS 28 -3.060 7.015 1.634 237 HD1 HIS 28 HD1 HIS 28 -3.377 6.997 4.170 238 HD2 HIS 28 HD2 HIS 28 -5.280 3.795 2.240 239 HE1 HIS 28 HE1 HIS 28 -4.847 5.874 5.928 240 H ASP 29 H ASP 29 -3.190 6.732 -1.973 241 HA ASP 29 HA ASP 29 -4.139 9.356 -1.561 242 1HB ASP 29 1HB ASP 29 -2.181 8.189 -3.116 243 2HB ASP 29 2HB ASP 29 -3.414 8.486 -4.325 244 HD2 ASP 29 HD2 ASP 29 -0.940 9.848 -2.643 245 H LEU 30 H LEU 30 -5.280 6.381 -3.108 246 HA LEU 30 HA LEU 30 -7.033 7.428 -4.986 247 1HB LEU 30 1HB LEU 30 -7.087 4.871 -3.384 248 2HB LEU 30 2HB LEU 30 -8.214 5.224 -4.679 249 HG LEU 30 HG LEU 30 -5.316 5.464 -5.328 250 1HD1 LEU 30 1HD1 LEU 30 -5.601 3.384 -3.877 251 2HD1 LEU 30 2HD1 LEU 30 -6.580 2.726 -5.210 252 3HD1 LEU 30 3HD1 LEU 30 -4.877 3.162 -5.488 253 1HD2 LEU 30 1HD2 LEU 30 -6.168 4.306 -7.423 254 2HD2 LEU 30 2HD2 LEU 30 -7.804 4.508 -6.751 255 3HD2 LEU 30 3HD2 LEU 30 -6.801 5.938 -7.098 256 H LEU 31 H LEU 31 -7.066 7.603 -1.529 257 HA LEU 31 HA LEU 31 -9.872 7.696 -1.180 258 1HB LEU 31 1HB LEU 31 -7.450 8.309 0.442 259 2HB LEU 31 2HB LEU 31 -8.978 8.990 0.964 260 HG LEU 31 HG LEU 31 -9.417 6.227 0.382 261 1HD1 LEU 31 1HD1 LEU 31 -6.861 6.808 1.840 262 2HD1 LEU 31 2HD1 LEU 31 -7.853 5.406 2.309 263 3HD1 LEU 31 3HD1 LEU 31 -7.234 5.542 0.646 264 1HD2 LEU 31 1HD2 LEU 31 -10.229 6.143 2.614 265 2HD2 LEU 31 2HD2 LEU 31 -9.257 7.554 3.096 266 3HD2 LEU 31 3HD2 LEU 31 -10.627 7.757 1.977 267 H ASP 32 H ASP 32 -10.093 9.080 -3.264 268 HA ASP 32 HA ASP 32 -9.760 11.878 -2.534 269 1HB ASP 32 1HB ASP 32 -9.243 10.403 -4.946 270 2HB ASP 32 2HB ASP 32 -10.583 11.478 -5.291 271 HD2 ASP 32 HD2 ASP 32 -9.673 12.996 -6.396 272 H LYS 33 H LYS 33 -11.981 9.245 -3.272 273 HA LYS 33 HA LYS 33 -14.197 10.711 -4.133 274 1HB LYS 33 1HB LYS 33 -13.658 7.979 -3.099 275 2HB LYS 33 2HB LYS 33 -15.309 8.544 -2.946 276 1HG LYS 33 1HG LYS 33 -14.961 9.323 -5.476 277 2HG LYS 33 2HG LYS 33 -13.672 8.136 -5.457 278 1HD LYS 33 1HD LYS 33 -15.134 6.385 -5.496 279 2HD LYS 33 2HD LYS 33 -16.128 7.077 -4.230 280 1HE LYS 33 1HE LYS 33 -17.130 8.654 -5.952 281 2HE LYS 33 2HE LYS 33 -16.216 7.819 -7.193 282 1HZ LYS 33 1HZ LYS 33 -18.642 7.090 -6.168 283 2HZ LYS 33 2HZ LYS 33 -17.721 6.231 -7.207 284 3HZ LYS 33 3HZ LYS 33 -17.598 5.970 -5.599 285 H ARG 34 H ARG 34 -12.860 9.990 -0.896 286 HA ARG 34 HA ARG 34 -15.051 11.569 0.188 287 1HB ARG 34 1HB ARG 34 -13.269 9.907 1.970 288 2HB ARG 34 2HB ARG 34 -14.967 10.295 2.164 289 1HG ARG 34 1HG ARG 34 -15.530 8.774 0.254 290 2HG ARG 34 2HG ARG 34 -13.832 8.382 0.067 291 1HD ARG 34 1HD ARG 34 -14.802 8.028 2.848 292 2HD ARG 34 2HD ARG 34 -15.643 7.011 1.694 293 HE ARG 34 HE ARG 34 -12.773 6.950 1.249 294 1HH1 ARG 34 2HH2 ARG 34 -15.330 5.654 3.289 295 2HH1 ARG 34 1HH2 ARG 34 -14.453 4.216 3.694 296 1HH2 ARG 34 2HH1 ARG 34 -11.615 5.054 1.783 297 2HH2 ARG 34 1HH1 ARG 34 -12.326 3.872 2.832 298 H LYS 35 H LYS 35 -11.566 11.202 -0.238 299 HA LYS 35 HA LYS 35 -9.808 12.348 0.510 300 1HB LYS 35 1HB LYS 35 -10.666 13.845 -1.186 301 2HB LYS 35 2HB LYS 35 -11.771 14.588 -0.047 302 1HG LYS 35 1HG LYS 35 -9.871 16.064 -0.216 303 2HG LYS 35 2HG LYS 35 -9.756 15.285 1.350 304 1HD LYS 35 1HD LYS 35 -8.143 13.622 0.408 305 2HD LYS 35 2HD LYS 35 -8.263 14.391 -1.162 306 1HE LYS 35 1HE LYS 35 -7.680 16.499 0.660 307 2HE LYS 35 2HE LYS 35 -6.648 15.170 1.148 308 1HZ LYS 35 1HZ LYS 35 -5.677 16.566 -0.576 309 2HZ LYS 35 2HZ LYS 35 -5.827 15.017 -1.070 310 3HZ LYS 35 3HZ LYS 35 -6.868 16.151 -1.613 311 H THR 36 H THR 36 -11.839 14.890 1.906 312 HA THR 36 HA THR 36 -10.577 14.965 4.320 313 HB THR 36 HB THR 36 -13.556 15.508 4.036 314 HG1 THR 36 HG1 THR 36 -11.233 16.938 2.945 315 1HG2 THR 36 1HG2 THR 36 -12.108 16.175 6.110 316 2HG2 THR 36 2HG2 THR 36 -11.317 17.333 5.014 317 3HG2 THR 36 3HG2 THR 36 -13.062 17.464 5.338 318 H VAL 37 H VAL 37 -11.372 14.413 6.530 319 HA VAL 37 HA VAL 37 -12.454 11.684 6.460 320 HB VAL 37 HB VAL 37 -10.053 12.445 7.359 321 1HG1 VAL 37 1HG1 VAL 37 -11.119 13.988 9.040 322 2HG1 VAL 37 2HG1 VAL 37 -11.759 12.547 9.866 323 3HG1 VAL 37 3HG1 VAL 37 -10.000 12.789 9.731 324 1HG2 VAL 37 1HG2 VAL 37 -9.897 10.352 8.382 325 2HG2 VAL 37 2HG2 VAL 37 -11.578 10.397 8.965 326 3HG2 VAL 37 3HG2 VAL 37 -11.242 10.138 7.236 327 H THR 38 H THR 38 -12.991 14.985 7.398 328 HA THR 38 HA THR 38 -14.384 14.952 9.684 329 HB THR 38 HB THR 38 -15.652 16.326 7.314 330 HG1 THR 38 HG1 THR 38 -13.612 17.742 7.529 331 1HG2 THR 38 1HG2 THR 38 -15.983 18.041 8.828 332 2HG2 THR 38 2HG2 THR 38 -15.729 16.765 10.044 333 3HG2 THR 38 3HG2 THR 38 -14.377 17.819 9.564 334 H ALA 39 H ALA 39 -16.508 14.571 10.425 335 HA ALA 39 HA ALA 39 -18.482 13.445 8.764 336 1HB ALA 39 1HB ALA 39 -18.133 11.208 10.382 337 2HB ALA 39 2HB ALA 39 -17.712 11.325 8.656 338 3HB ALA 39 3HB ALA 39 -16.472 11.626 9.897 339 H LEU 40 H LEU 40 -20.231 12.335 10.352 340 HA LEU 40 HA LEU 40 -20.202 13.883 12.845 341 1HB LEU 40 1HB LEU 40 -22.451 13.579 10.857 342 2HB LEU 40 2HB LEU 40 -22.686 14.134 12.502 343 HG LEU 40 HG LEU 40 -20.601 15.624 11.062 344 1HD1 LEU 40 1HD1 LEU 40 -22.662 16.914 9.915 345 2HD1 LEU 40 2HD1 LEU 40 -21.709 15.656 9.091 346 3HD1 LEU 40 3HD1 LEU 40 -23.275 15.245 9.832 347 1HD2 LEU 40 1HD2 LEU 40 -21.312 16.442 13.163 348 2HD2 LEU 40 2HD2 LEU 40 -21.995 17.546 11.945 349 3HD2 LEU 40 3HD2 LEU 40 -23.031 16.321 12.718 350 H LYS 41 H LYS 41 -19.221 11.731 13.534 351 HA LYS 41 HA LYS 41 -20.579 9.350 13.410 352 1HB LYS 41 1HB LYS 41 -19.020 8.582 14.894 353 2HB LYS 41 2HB LYS 41 -18.213 10.038 14.346 354 1HG LYS 41 1HG LYS 41 -19.015 11.287 16.313 355 2HG LYS 41 2HG LYS 41 -19.985 9.922 16.831 356 1HD LYS 41 1HD LYS 41 -18.166 8.754 17.653 357 2HD LYS 41 2HD LYS 41 -17.091 9.321 16.390 358 1HE LYS 41 1HE LYS 41 -16.229 10.491 18.217 359 2HE LYS 41 2HE LYS 41 -17.367 11.676 17.605 360 1HZ LYS 41 1HZ LYS 41 -18.782 10.020 19.279 361 2HZ LYS 41 2HZ LYS 41 -17.391 10.357 20.065 362 3HZ LYS 41 3HZ LYS 41 -18.354 11.572 19.552 363 H ALA 42 H ALA 42 -21.428 8.256 15.632 364 HA ALA 42 HA ALA 42 -22.921 9.916 17.345 365 1HB ALA 42 1HB ALA 42 -24.104 9.809 14.896 366 2HB ALA 42 2HB ALA 42 -24.825 8.371 15.659 367 3HB ALA 42 3HB ALA 42 -25.007 9.970 16.421 368 H GLY 43 H GLY 43 -24.329 8.546 18.817 369 1HA GLY 43 1HA GLY 43 -24.944 6.242 19.360 370 2HA GLY 43 2HA GLY 43 -23.337 5.757 18.856 371 H GLU 44 H GLU 44 -25.285 6.705 21.502 372 HA GLU 44 HA GLU 44 -23.141 6.395 23.276 373 1HB GLU 44 1HB GLU 44 -23.122 8.929 22.316 374 2HB GLU 44 2HB GLU 44 -24.294 9.147 23.600 375 1HG GLU 44 1HG GLU 44 -22.547 7.885 25.110 376 2HG GLU 44 2HG GLU 44 -21.404 8.237 23.830 377 HE2 GLU 44 HE2 GLU 44 -22.586 9.711 26.653 378 H ASP 45 H ASP 45 -23.955 5.685 25.242 379 HA ASP 45 HA ASP 45 -25.378 5.165 26.796 380 1HB ASP 45 1HB ASP 45 -26.416 7.740 25.840 381 2HB ASP 45 2HB ASP 45 -27.719 6.718 26.411 382 HD2 ASP 45 HD2 ASP 45 -26.401 8.982 28.771 Start of MODEL 22 1 H MET 1 H MET 1 2.840 -18.945 -26.751 2 HA MET 1 HA MET 1 1.472 -17.957 -25.104 3 1HB MET 1 1HB MET 1 0.361 -20.501 -26.393 4 2HB MET 1 2HB MET 1 -0.677 -19.403 -25.506 5 1HG MET 1 1HG MET 1 -0.913 -18.523 -27.654 6 2HG MET 1 2HG MET 1 0.431 -17.553 -27.084 7 1HE MET 1 1HE MET 1 0.430 -20.756 -30.310 8 2HE MET 1 2HE MET 1 -0.604 -20.814 -28.862 9 3HE MET 1 3HE MET 1 -0.774 -19.476 -30.023 10 H PHE 2 H PHE 2 0.790 -17.920 -22.972 11 HA PHE 2 HA PHE 2 0.629 -18.533 -20.861 12 1HB PHE 2 1HB PHE 2 -1.258 -19.885 -21.508 13 2HB PHE 2 2HB PHE 2 -0.261 -20.981 -22.444 14 HD1 PHE 2 HD1 PHE 2 0.612 -22.951 -21.480 15 HD2 PHE 2 HD2 PHE 2 -1.161 -20.009 -18.988 16 HE1 PHE 2 HE1 PHE 2 0.659 -24.557 -19.551 17 HE2 PHE 2 HE2 PHE 2 -1.115 -21.615 -17.059 18 HZ PHE 2 HZ PHE 2 -0.205 -23.869 -17.363 19 H ILE 3 H ILE 3 1.508 -19.976 -19.067 20 HA ILE 3 HA ILE 3 3.978 -21.292 -19.953 21 HB ILE 3 HB ILE 3 3.571 -19.099 -18.000 22 1HG1 ILE 3 1HG1 ILE 3 4.678 -18.661 -20.113 23 2HG1 ILE 3 2HG1 ILE 3 5.805 -18.458 -18.787 24 1HG2 ILE 3 1HG2 ILE 3 4.256 -20.517 -16.332 25 2HG2 ILE 3 2HG2 ILE 3 5.206 -21.543 -17.433 26 3HG2 ILE 3 3HG2 ILE 3 5.827 -19.948 -16.944 27 1HD1 ILE 3 1HD1 ILE 3 6.022 -21.191 -19.493 28 2HD1 ILE 3 2HD1 ILE 3 5.931 -20.310 -21.037 29 3HD1 ILE 3 3HD1 ILE 3 7.192 -19.898 -19.851 30 H TRP 4 H TRP 4 4.467 -23.243 -18.953 31 HA TRP 4 HA TRP 4 2.371 -24.212 -17.137 32 1HB TRP 4 1HB TRP 4 2.920 -26.437 -17.903 33 2HB TRP 4 2HB TRP 4 2.467 -25.405 -19.245 34 HD1 TRP 4 HD1 TRP 4 4.398 -24.870 -21.075 35 HE1 TRP 4 HE1 TRP 4 6.755 -25.903 -21.659 36 HE3 TRP 4 HE3 TRP 4 4.916 -27.475 -16.739 37 HZ2 TRP 4 HZ2 TRP 4 8.532 -27.653 -20.273 38 HZ3 TRP 4 HZ3 TRP 4 6.992 -28.820 -16.433 39 HH2 TRP 4 HH2 TRP 4 8.764 -28.935 -18.113 40 H THR 5 H THR 5 5.760 -23.403 -17.601 41 HA THR 5 HA THR 5 7.146 -24.959 -15.908 42 HB THR 5 HB THR 5 8.572 -22.954 -15.571 43 HG1 THR 5 HG1 THR 5 6.979 -21.378 -15.091 44 1HG2 THR 5 1HG2 THR 5 7.547 -22.106 -18.197 45 2HG2 THR 5 2HG2 THR 5 9.129 -22.811 -17.788 46 3HG2 THR 5 3HG2 THR 5 7.738 -23.873 -18.113 47 H SER 6 H SER 6 5.136 -22.134 -14.852 48 HA SER 6 HA SER 6 4.270 -23.480 -12.589 49 1HB SER 6 1HB SER 6 6.534 -23.230 -11.721 50 2HB SER 6 2HB SER 6 6.567 -21.529 -12.143 51 HG SER 6 HG SER 6 4.673 -21.310 -10.617 52 H GLY 7 H GLY 7 2.232 -22.596 -12.640 53 1HA GLY 7 1HA GLY 7 1.325 -20.378 -13.820 54 2HA GLY 7 2HA GLY 7 0.652 -20.995 -12.324 55 H ARG 8 H ARG 8 1.260 -20.053 -10.279 56 HA ARG 8 HA ARG 8 1.652 -17.342 -10.392 57 1HB ARG 8 1HB ARG 8 2.045 -17.549 -7.888 58 2HB ARG 8 2HB ARG 8 0.601 -18.368 -8.451 59 1HG ARG 8 1HG ARG 8 1.765 -20.538 -8.450 60 2HG ARG 8 2HG ARG 8 3.289 -19.765 -8.063 61 1HD ARG 8 1HD ARG 8 2.606 -20.467 -5.935 62 2HD ARG 8 2HD ARG 8 1.978 -18.831 -5.951 63 HE ARG 8 HE ARG 8 0.405 -21.317 -6.104 64 1HH1 ARG 8 2HH2 ARG 8 0.414 -17.827 -6.555 65 2HH1 ARG 8 1HH2 ARG 8 -1.307 -17.678 -6.429 66 1HH2 ARG 8 2HH1 ARG 8 -1.866 -21.121 -5.937 67 2HH2 ARG 8 1HH1 ARG 8 -2.613 -19.564 -6.075 68 H THR 9 H THR 9 3.484 -16.004 -10.282 69 HA THR 9 HA THR 9 6.031 -17.320 -10.666 70 HB THR 9 HB THR 9 5.565 -14.325 -10.487 71 HG1 THR 9 HG1 THR 9 3.879 -14.932 -11.865 72 1HG2 THR 9 1HG2 THR 9 7.494 -16.209 -11.746 73 2HG2 THR 9 2HG2 THR 9 6.877 -14.963 -12.857 74 3HG2 THR 9 3HG2 THR 9 7.696 -14.485 -11.351 75 H SER 10 H SER 10 7.647 -15.198 -9.494 76 HA SER 10 HA SER 10 7.718 -16.312 -6.875 77 1HB SER 10 1HB SER 10 9.431 -14.216 -8.277 78 2HB SER 10 2HB SER 10 9.744 -14.775 -6.646 79 HG SER 10 HG SER 10 10.818 -16.389 -7.538 80 H SER 11 H SER 11 8.543 -14.277 -5.192 81 HA SER 11 HA SER 11 6.082 -12.953 -4.746 82 1HB SER 11 1HB SER 11 8.775 -12.973 -3.345 83 2HB SER 11 2HB SER 11 7.505 -11.880 -2.831 84 HG SER 11 HG SER 11 7.262 -13.740 -1.591 85 H SER 12 H SER 12 9.128 -11.200 -4.178 86 HA SER 12 HA SER 12 9.963 -9.357 -4.976 87 1HB SER 12 1HB SER 12 8.138 -9.388 -7.396 88 2HB SER 12 2HB SER 12 9.766 -8.751 -7.269 89 HG SER 12 HG SER 12 10.452 -10.644 -7.970 90 H TYR 13 H TYR 13 6.992 -9.774 -3.781 91 HA TYR 13 HA TYR 13 6.233 -6.949 -4.118 92 1HB TYR 13 1HB TYR 13 3.937 -7.770 -3.933 93 2HB TYR 13 2HB TYR 13 4.731 -8.884 -5.027 94 HD1 TYR 13 HD1 TYR 13 5.320 -11.169 -4.293 95 HD2 TYR 13 HD2 TYR 13 3.223 -8.471 -1.718 96 HE1 TYR 13 HE1 TYR 13 4.657 -13.109 -2.788 97 HE2 TYR 13 HE2 TYR 13 2.567 -10.420 -0.222 98 HH TYR 13 HH TYR 13 3.926 -13.596 -0.701 99 H ARG 14 H ARG 14 6.307 -9.793 -1.875 100 HA ARG 14 HA ARG 14 5.942 -7.940 0.309 101 1HB ARG 14 1HB ARG 14 5.373 -10.786 -0.169 102 2HB ARG 14 2HB ARG 14 6.231 -10.566 1.344 103 1HG ARG 14 1HG ARG 14 3.754 -8.957 0.570 104 2HG ARG 14 2HG ARG 14 3.688 -10.430 1.516 105 1HD ARG 14 1HD ARG 14 5.500 -8.152 2.385 106 2HD ARG 14 2HD ARG 14 3.788 -8.100 2.758 107 HE ARG 14 HE ARG 14 5.779 -9.938 3.906 108 1HH1 ARG 14 2HH2 ARG 14 2.357 -9.297 3.394 109 2HH1 ARG 14 1HH2 ARG 14 1.841 -10.303 4.707 110 1HH2 ARG 14 2HH1 ARG 14 5.099 -11.265 5.638 111 2HH2 ARG 14 1HH1 ARG 14 3.412 -11.430 5.991 112 H HIS 15 H HIS 15 8.321 -10.059 -1.261 113 HA HIS 15 HA HIS 15 10.127 -10.467 0.732 114 1HB HIS 15 1HB HIS 15 10.053 -10.603 -2.125 115 2HB HIS 15 2HB HIS 15 11.560 -9.839 -1.660 116 HD1 HIS 15 HD1 HIS 15 13.090 -11.255 0.097 117 HD2 HIS 15 HD2 HIS 15 9.986 -13.343 -1.801 118 HE1 HIS 15 HE1 HIS 15 13.615 -13.735 0.387 119 H ASP 16 H ASP 16 9.174 -7.458 -0.785 120 HA ASP 16 HA ASP 16 11.563 -6.133 0.105 121 1HB ASP 16 1HB ASP 16 9.465 -4.311 -0.719 122 2HB ASP 16 2HB ASP 16 11.003 -4.627 -1.496 123 HD2 ASP 16 HD2 ASP 16 11.011 -6.178 -3.117 124 H GLU 17 H GLU 17 11.640 -4.819 1.984 125 HA GLU 17 HA GLU 17 9.372 -5.048 3.720 126 1HB GLU 17 1HB GLU 17 12.261 -4.387 3.985 127 2HB GLU 17 2HB GLU 17 11.214 -3.521 5.092 128 1HG GLU 17 1HG GLU 17 11.088 -5.371 6.392 129 2HG GLU 17 2HG GLU 17 10.269 -6.212 5.090 130 HE2 GLU 17 HE2 GLU 17 13.002 -8.308 5.550 131 H LYS 18 H LYS 18 11.505 -2.167 3.584 132 HA LYS 18 HA LYS 18 9.137 -0.507 3.501 133 1HB LYS 18 1HB LYS 18 12.036 -0.100 4.163 134 2HB LYS 18 2HB LYS 18 11.063 1.287 3.715 135 1HG LYS 18 1HG LYS 18 9.438 -0.166 5.524 136 2HG LYS 18 2HG LYS 18 11.049 -0.258 6.209 137 1HD LYS 18 1HD LYS 18 11.172 2.321 5.750 138 2HD LYS 18 2HD LYS 18 9.433 2.232 5.550 139 1HE LYS 18 1HE LYS 18 9.210 1.238 7.830 140 2HE LYS 18 2HE LYS 18 10.951 1.290 8.031 141 1HZ LYS 18 1HZ LYS 18 9.720 3.191 8.983 142 2HZ LYS 18 2HZ LYS 18 10.907 3.626 7.950 143 3HZ LYS 18 3HZ LYS 18 9.347 3.682 7.471 144 H ARG 19 H ARG 19 10.321 -2.210 1.159 145 HA ARG 19 HA ARG 19 10.767 -0.001 -0.663 146 1HB ARG 19 1HB ARG 19 11.513 -2.913 -0.623 147 2HB ARG 19 2HB ARG 19 11.189 -2.223 -2.201 148 1HG ARG 19 1HG ARG 19 12.801 -0.302 -0.846 149 2HG ARG 19 2HG ARG 19 13.521 -1.858 -0.482 150 1HD ARG 19 1HD ARG 19 14.559 -1.586 -2.513 151 2HD ARG 19 2HD ARG 19 13.046 -2.186 -3.164 152 HE ARG 19 HE ARG 19 12.545 0.510 -2.935 153 1HH1 ARG 19 2HH2 ARG 19 15.184 -1.310 -4.386 154 2HH1 ARG 19 1HH2 ARG 19 15.523 -0.107 -5.586 155 1HH2 ARG 19 2HH1 ARG 19 12.991 2.096 -4.518 156 2HH2 ARG 19 1HH1 ARG 19 14.267 1.843 -5.661 157 H ASN 20 H ASN 20 8.270 -1.902 0.548 158 HA ASN 20 HA ASN 20 6.851 -1.778 -1.997 159 1HB ASN 20 1HB ASN 20 7.230 -4.095 -0.894 160 2HB ASN 20 2HB ASN 20 6.154 -3.566 0.385 161 1HD2 ASN 20 1HD2 ASN 20 6.462 -4.352 -3.005 162 2HD2 ASN 20 2HD2 ASN 20 4.782 -4.566 -3.365 163 H ILE 21 H ILE 21 7.240 0.377 0.053 164 HA ILE 21 HA ILE 21 4.582 0.516 1.264 165 HB ILE 21 HB ILE 21 5.511 1.581 2.969 166 1HG1 ILE 21 1HG1 ILE 21 5.695 3.663 1.691 167 2HG1 ILE 21 2HG1 ILE 21 7.027 3.472 2.814 168 1HG2 ILE 21 1HG2 ILE 21 7.085 -0.303 2.556 169 2HG2 ILE 21 2HG2 ILE 21 8.159 0.832 1.702 170 3HG2 ILE 21 3HG2 ILE 21 7.811 1.066 3.432 171 1HD1 ILE 21 1HD1 ILE 21 7.779 2.222 0.321 172 2HD1 ILE 21 2HD1 ILE 21 7.158 3.855 -0.022 173 3HD1 ILE 21 3HD1 ILE 21 8.510 3.637 1.115 174 H TYR 22 H TYR 22 6.694 1.886 -1.222 175 HA TYR 22 HA TYR 22 5.636 4.344 -1.652 176 1HB TYR 22 1HB TYR 22 6.344 3.877 -4.012 177 2HB TYR 22 2HB TYR 22 7.491 3.146 -2.907 178 HD1 TYR 22 HD1 TYR 22 4.712 2.462 -5.248 179 HD2 TYR 22 HD2 TYR 22 7.749 0.748 -2.770 180 HE1 TYR 22 HE1 TYR 22 4.363 0.207 -6.369 181 HE2 TYR 22 HE2 TYR 22 7.390 -1.502 -3.898 182 HH TYR 22 HH TYR 22 5.650 -2.659 -5.088 183 H GLN 23 H GLN 23 4.296 1.173 -2.781 184 HA GLN 23 HA GLN 23 2.203 2.341 -4.201 185 1HB GLN 23 1HB GLN 23 3.198 -0.107 -4.213 186 2HB GLN 23 2HB GLN 23 2.013 -0.413 -2.959 187 1HG GLN 23 1HG GLN 23 0.653 1.032 -5.029 188 2HG GLN 23 2HG GLN 23 1.607 -0.202 -5.828 189 1HE2 GLN 23 1HE2 GLN 23 0.849 -2.182 -5.928 190 2HE2 GLN 23 2HE2 GLN 23 -0.453 -2.847 -4.999 191 H LYS 24 H LYS 24 2.768 1.834 -0.794 192 HA LYS 24 HA LYS 24 0.070 1.650 0.022 193 1HB LYS 24 1HB LYS 24 2.540 1.330 1.207 194 2HB LYS 24 2HB LYS 24 1.975 2.821 1.933 195 1HG LYS 24 1HG LYS 24 0.065 1.802 2.883 196 2HG LYS 24 2HG LYS 24 0.065 0.482 1.730 197 1HD LYS 24 1HD LYS 24 1.853 -0.646 2.818 198 2HD LYS 24 2HD LYS 24 2.397 0.801 3.642 199 1HE LYS 24 1HE LYS 24 -0.113 0.641 4.690 200 2HE LYS 24 2HE LYS 24 0.146 -1.058 4.350 201 1HZ LYS 24 1HZ LYS 24 1.894 0.667 5.961 202 2HZ LYS 24 2HZ LYS 24 0.947 -0.544 6.509 203 3HZ LYS 24 3HZ LYS 24 2.241 -0.880 5.573 204 H ILE 25 H ILE 25 2.436 4.409 0.224 205 HA ILE 25 HA ILE 25 0.714 6.336 1.034 206 HB ILE 25 HB ILE 25 2.909 6.698 -1.006 207 1HG1 ILE 25 1HG1 ILE 25 3.836 7.233 1.620 208 2HG1 ILE 25 2HG1 ILE 25 3.044 5.671 1.683 209 1HG2 ILE 25 1HG2 ILE 25 2.596 8.882 -0.782 210 2HG2 ILE 25 2HG2 ILE 25 1.134 8.541 0.174 211 3HG2 ILE 25 3HG2 ILE 25 2.700 8.761 0.991 212 1HD1 ILE 25 1HD1 ILE 25 5.487 5.543 1.063 213 2HD1 ILE 25 2HD1 ILE 25 4.410 4.822 -0.157 214 3HD1 ILE 25 3HD1 ILE 25 5.109 6.436 -0.430 215 H ARG 26 H ARG 26 1.276 5.185 -2.347 216 HA ARG 26 HA ARG 26 -0.433 7.028 -3.499 217 1HB ARG 26 1HB ARG 26 0.881 4.466 -4.292 218 2HB ARG 26 2HB ARG 26 -0.566 4.847 -5.203 219 1HG ARG 26 1HG ARG 26 0.675 7.303 -5.207 220 2HG ARG 26 2HG ARG 26 2.073 6.247 -5.160 221 1HD ARG 26 1HD ARG 26 1.674 6.477 -7.481 222 2HD ARG 26 2HD ARG 26 0.915 4.941 -7.113 223 HE ARG 26 HE ARG 26 -1.153 6.715 -6.725 224 1HH1 ARG 26 2HH2 ARG 26 1.106 6.225 -9.378 225 2HH1 ARG 26 1HH2 ARG 26 -0.002 6.774 -10.591 226 1HH2 ARG 26 2HH1 ARG 26 -2.615 7.439 -8.325 227 2HH2 ARG 26 1HH1 ARG 26 -2.132 7.469 -9.988 228 H ASP 27 H ASP 27 -0.960 3.905 -1.875 229 HA ASP 27 HA ASP 27 -3.537 3.489 -2.903 230 1HB ASP 27 1HB ASP 27 -1.715 2.030 -1.406 231 2HB ASP 27 2HB ASP 27 -2.918 2.418 -0.192 232 HD2 ASP 27 HD2 ASP 27 -3.811 -0.176 -3.093 233 H HIS 28 H HIS 28 -2.120 5.542 -0.446 234 HA HIS 28 HA HIS 28 -4.538 5.769 1.093 235 1HB HIS 28 1HB HIS 28 -1.744 6.401 1.423 236 2HB HIS 28 2HB HIS 28 -2.706 7.828 1.755 237 HD1 HIS 28 HD1 HIS 28 -2.166 7.681 4.305 238 HD2 HIS 28 HD2 HIS 28 -4.205 4.350 2.773 239 HE1 HIS 28 HE1 HIS 28 -2.979 6.350 6.324 240 H ASP 29 H ASP 29 -3.352 6.984 -1.863 241 HA ASP 29 HA ASP 29 -4.834 9.458 -1.534 242 1HB ASP 29 1HB ASP 29 -2.375 8.968 -2.685 243 2HB ASP 29 2HB ASP 29 -3.410 8.882 -4.097 244 HD2 ASP 29 HD2 ASP 29 -4.092 12.317 -4.041 245 H LEU 30 H LEU 30 -4.752 6.284 -3.086 246 HA LEU 30 HA LEU 30 -6.457 6.826 -5.251 247 1HB LEU 30 1HB LEU 30 -5.771 4.292 -3.764 248 2HB LEU 30 2HB LEU 30 -6.789 4.327 -5.190 249 HG LEU 30 HG LEU 30 -4.080 5.591 -5.354 250 1HD1 LEU 30 1HD1 LEU 30 -2.976 3.746 -4.806 251 2HD1 LEU 30 2HD1 LEU 30 -4.494 2.844 -4.583 252 3HD1 LEU 30 3HD1 LEU 30 -3.738 2.928 -6.192 253 1HD2 LEU 30 1HD2 LEU 30 -5.612 3.921 -7.360 254 2HD2 LEU 30 2HD2 LEU 30 -5.761 5.688 -7.210 255 3HD2 LEU 30 3HD2 LEU 30 -4.198 4.962 -7.654 256 H LEU 31 H LEU 31 -6.995 6.885 -1.879 257 HA LEU 31 HA LEU 31 -9.834 6.263 -2.251 258 1HB LEU 31 1HB LEU 31 -8.319 6.552 0.341 259 2HB LEU 31 2HB LEU 31 -9.944 5.937 0.116 260 HG LEU 31 HG LEU 31 -8.008 4.412 -1.439 261 1HD1 LEU 31 1HD1 LEU 31 -6.570 5.210 0.492 262 2HD1 LEU 31 2HD1 LEU 31 -7.631 4.255 1.555 263 3HD1 LEU 31 3HD1 LEU 31 -6.696 3.448 0.272 264 1HD2 LEU 31 1HD2 LEU 31 -10.476 4.033 -0.175 265 2HD2 LEU 31 2HD2 LEU 31 -9.517 2.826 -1.064 266 3HD2 LEU 31 3HD2 LEU 31 -9.336 2.982 0.700 267 H ASP 32 H ASP 32 -9.840 7.929 0.516 268 HA ASP 32 HA ASP 32 -10.198 10.452 -0.900 269 1HB ASP 32 1HB ASP 32 -11.893 8.956 0.926 270 2HB ASP 32 2HB ASP 32 -11.496 10.496 1.661 271 HD2 ASP 32 HD2 ASP 32 -11.771 12.313 -0.185 272 H LYS 33 H LYS 33 -8.402 8.666 1.441 273 HA LYS 33 HA LYS 33 -7.894 10.363 3.491 274 1HB LYS 33 1HB LYS 33 -6.473 8.164 2.141 275 2HB LYS 33 2HB LYS 33 -5.418 9.268 3.001 276 1HG LYS 33 1HG LYS 33 -7.241 9.035 4.936 277 2HG LYS 33 2HG LYS 33 -7.664 7.559 4.091 278 1HD LYS 33 1HD LYS 33 -5.786 6.478 4.806 279 2HD LYS 33 2HD LYS 33 -4.749 7.831 4.402 280 1HE LYS 33 1HE LYS 33 -4.618 7.551 6.799 281 2HE LYS 33 2HE LYS 33 -5.563 8.999 6.516 282 1HZ LYS 33 1HZ LYS 33 -7.550 7.733 6.842 283 2HZ LYS 33 2HZ LYS 33 -6.713 6.340 7.008 284 3HZ LYS 33 3HZ LYS 33 -6.571 7.517 8.131 285 H ARG 34 H ARG 34 -6.805 10.597 0.104 286 HA ARG 34 HA ARG 34 -5.838 13.239 0.777 287 1HB ARG 34 1HB ARG 34 -4.321 11.334 -1.074 288 2HB ARG 34 2HB ARG 34 -3.819 12.948 -0.610 289 1HG ARG 34 1HG ARG 34 -3.987 12.003 1.863 290 2HG ARG 34 2HG ARG 34 -3.903 10.436 1.084 291 1HD ARG 34 1HD ARG 34 -1.869 12.075 -0.119 292 2HD ARG 34 2HD ARG 34 -1.749 12.303 1.615 293 HE ARG 34 HE ARG 34 -1.283 9.795 0.135 294 1HH1 ARG 34 2HH2 ARG 34 -1.816 11.294 3.274 295 2HH1 ARG 34 1HH2 ARG 34 -1.129 9.976 4.163 296 1HH2 ARG 34 2HH1 ARG 34 -0.376 8.055 1.308 297 2HH2 ARG 34 1HH1 ARG 34 -0.304 8.121 3.037 298 H LYS 35 H LYS 35 -5.922 11.040 -2.131 299 HA LYS 35 HA LYS 35 -6.767 11.303 -4.154 300 1HB LYS 35 1HB LYS 35 -8.885 11.069 -3.022 301 2HB LYS 35 2HB LYS 35 -8.913 12.769 -2.596 302 1HG LYS 35 1HG LYS 35 -10.347 12.460 -4.537 303 2HG LYS 35 2HG LYS 35 -8.930 13.352 -5.052 304 1HD LYS 35 1HD LYS 35 -7.902 11.099 -5.752 305 2HD LYS 35 2HD LYS 35 -9.472 10.378 -5.456 306 1HE LYS 35 1HE LYS 35 -10.175 12.544 -7.030 307 2HE LYS 35 2HE LYS 35 -8.595 12.155 -7.682 308 1HZ LYS 35 1HZ LYS 35 -10.906 10.365 -7.457 309 2HZ LYS 35 2HZ LYS 35 -10.151 10.857 -8.819 310 3HZ LYS 35 3HZ LYS 35 -9.406 9.819 -7.802 311 H THR 36 H THR 36 -7.197 12.882 -5.971 312 HA THR 36 HA THR 36 -6.391 15.611 -5.419 313 HB THR 36 HB THR 36 -4.266 14.179 -5.680 314 HG1 THR 36 HG1 THR 36 -4.465 15.894 -7.958 315 1HG2 THR 36 1HG2 THR 36 -3.713 13.812 -8.175 316 2HG2 THR 36 2HG2 THR 36 -4.844 12.635 -7.463 317 3HG2 THR 36 3HG2 THR 36 -5.460 13.955 -8.486 318 H VAL 37 H VAL 37 -6.172 16.746 -7.765 319 HA VAL 37 HA VAL 37 -8.787 16.448 -8.847 320 HB VAL 37 HB VAL 37 -7.710 18.607 -8.583 321 1HG1 VAL 37 1HG1 VAL 37 -5.626 19.106 -9.245 322 2HG1 VAL 37 2HG1 VAL 37 -5.417 17.357 -9.502 323 3HG1 VAL 37 3HG1 VAL 37 -5.880 18.407 -10.863 324 1HG2 VAL 37 1HG2 VAL 37 -8.411 19.572 -10.611 325 2HG2 VAL 37 2HG2 VAL 37 -7.953 18.136 -11.558 326 3HG2 VAL 37 3HG2 VAL 37 -9.367 18.076 -10.479 327 H THR 38 H THR 38 -9.033 16.363 -11.362 328 HA THR 38 HA THR 38 -8.350 13.852 -12.230 329 HB THR 38 HB THR 38 -8.683 16.168 -14.160 330 HG1 THR 38 HG1 THR 38 -10.880 16.288 -13.379 331 1HG2 THR 38 1HG2 THR 38 -9.169 13.290 -14.134 332 2HG2 THR 38 2HG2 THR 38 -10.707 14.158 -14.361 333 3HG2 THR 38 3HG2 THR 38 -9.355 14.432 -15.486 334 H ALA 39 H ALA 39 -7.035 13.370 -14.310 335 HA ALA 39 HA ALA 39 -4.736 14.918 -14.800 336 1HB ALA 39 1HB ALA 39 -3.047 13.719 -13.664 337 2HB ALA 39 2HB ALA 39 -4.323 13.927 -12.441 338 3HB ALA 39 3HB ALA 39 -4.139 12.367 -13.278 339 H LEU 40 H LEU 40 -3.068 13.392 -16.080 340 HA LEU 40 HA LEU 40 -4.764 11.710 -17.783 341 1HB LEU 40 1HB LEU 40 -2.286 13.322 -18.381 342 2HB LEU 40 2HB LEU 40 -2.961 12.145 -19.490 343 HG LEU 40 HG LEU 40 -4.916 14.128 -18.530 344 1HD1 LEU 40 1HD1 LEU 40 -4.055 15.953 -19.962 345 2HD1 LEU 40 2HD1 LEU 40 -3.005 15.607 -18.567 346 3HD1 LEU 40 3HD1 LEU 40 -2.548 15.034 -20.189 347 1HD2 LEU 40 1HD2 LEU 40 -4.427 12.449 -20.819 348 2HD2 LEU 40 2HD2 LEU 40 -5.911 13.304 -20.332 349 3HD2 LEU 40 3HD2 LEU 40 -4.697 14.130 -21.337 350 H LYS 41 H LYS 41 -4.596 9.800 -16.517 351 HA LYS 41 HA LYS 41 -2.287 8.798 -15.425 352 1HB LYS 41 1HB LYS 41 -3.508 6.912 -15.009 353 2HB LYS 41 2HB LYS 41 -4.809 8.037 -15.339 354 1HG LYS 41 1HG LYS 41 -4.971 7.249 -17.668 355 2HG LYS 41 2HG LYS 41 -3.563 6.226 -17.460 356 1HD LYS 41 1HD LYS 41 -5.171 5.376 -15.365 357 2HD LYS 41 2HD LYS 41 -6.370 5.785 -16.576 358 1HE LYS 41 1HE LYS 41 -5.128 4.356 -18.247 359 2HE LYS 41 2HE LYS 41 -3.994 3.906 -16.988 360 1HZ LYS 41 1HZ LYS 41 -5.467 2.526 -16.096 361 2HZ LYS 41 2HZ LYS 41 -6.731 3.549 -16.256 362 3HZ LYS 41 3HZ LYS 41 -6.266 2.620 -17.517 363 H ALA 42 H ALA 42 -1.371 6.501 -16.306 364 HA ALA 42 HA ALA 42 -1.077 6.274 -19.096 365 1HB ALA 42 1HB ALA 42 1.599 6.950 -18.150 366 2HB ALA 42 2HB ALA 42 0.709 7.562 -19.564 367 3HB ALA 42 3HB ALA 42 0.481 8.324 -17.972 368 H GLY 43 H GLY 43 -0.271 4.234 -19.577 369 1HA GLY 43 1HA GLY 43 1.367 2.803 -17.691 370 2HA GLY 43 2HA GLY 43 -0.290 2.235 -17.737 371 H GLU 44 H GLU 44 -1.174 2.126 -20.213 372 HA GLU 44 HA GLU 44 -1.096 1.070 -22.107 373 1HB GLU 44 1HB GLU 44 0.596 2.779 -22.728 374 2HB GLU 44 2HB GLU 44 1.877 1.758 -22.104 375 1HG GLU 44 1HG GLU 44 1.631 0.155 -23.834 376 2HG GLU 44 2HG GLU 44 -0.009 0.652 -24.201 377 HE2 GLU 44 HE2 GLU 44 0.011 2.467 -26.039 378 H ASP 45 H ASP 45 -0.687 -1.051 -23.046 379 HA ASP 45 HA ASP 45 0.634 -2.791 -21.120 380 1HB ASP 45 1HB ASP 45 -0.767 -4.601 -22.306 381 2HB ASP 45 2HB ASP 45 -1.645 -3.456 -21.311 382 HD2 ASP 45 HD2 ASP 45 -3.485 -3.288 -22.296 Start of MODEL 23 1 H MET 1 H MET 1 0.895 -24.761 -22.155 2 HA MET 1 HA MET 1 1.530 -22.509 -23.363 3 1HB MET 1 1HB MET 1 1.487 -24.136 -25.484 4 2HB MET 1 2HB MET 1 -0.250 -23.927 -25.388 5 1HG MET 1 1HG MET 1 1.125 -21.343 -25.151 6 2HG MET 1 2HG MET 1 1.604 -22.172 -26.619 7 1HE MET 1 1HE MET 1 0.119 -21.740 -28.833 8 2HE MET 1 2HE MET 1 -0.940 -20.335 -28.562 9 3HE MET 1 3HE MET 1 0.722 -20.333 -27.924 10 H PHE 2 H PHE 2 -0.460 -21.038 -23.862 11 HA PHE 2 HA PHE 2 -2.228 -20.136 -22.834 12 1HB PHE 2 1HB PHE 2 -2.937 -21.748 -24.822 13 2HB PHE 2 2HB PHE 2 -3.522 -22.817 -23.563 14 HD1 PHE 2 HD1 PHE 2 -5.748 -22.658 -22.999 15 HD2 PHE 2 HD2 PHE 2 -3.797 -19.217 -24.538 16 HE1 PHE 2 HE1 PHE 2 -7.920 -21.401 -22.941 17 HE2 PHE 2 HE2 PHE 2 -5.969 -17.960 -24.480 18 HZ PHE 2 HZ PHE 2 -8.004 -19.067 -23.682 19 H ILE 3 H ILE 3 -0.547 -21.804 -21.003 20 HA ILE 3 HA ILE 3 -1.810 -23.520 -19.387 21 HB ILE 3 HB ILE 3 0.258 -21.449 -19.029 22 1HG1 ILE 3 1HG1 ILE 3 0.538 -23.897 -19.740 23 2HG1 ILE 3 2HG1 ILE 3 1.631 -23.264 -18.526 24 1HG2 ILE 3 1HG2 ILE 3 0.303 -22.257 -16.506 25 2HG2 ILE 3 2HG2 ILE 3 -0.631 -20.831 -17.020 26 3HG2 ILE 3 3HG2 ILE 3 -1.452 -22.390 -16.769 27 1HD1 ILE 3 1HD1 ILE 3 0.545 -24.409 -16.754 28 2HD1 ILE 3 2HD1 ILE 3 -0.943 -24.645 -17.701 29 3HD1 ILE 3 3HD1 ILE 3 0.518 -25.584 -18.091 30 H TRP 4 H TRP 4 -3.410 -23.553 -17.830 31 HA TRP 4 HA TRP 4 -4.823 -20.998 -17.466 32 1HB TRP 4 1HB TRP 4 -6.868 -22.302 -17.210 33 2HB TRP 4 2HB TRP 4 -6.143 -22.507 -18.792 34 HD1 TRP 4 HD1 TRP 4 -5.213 -24.987 -19.392 35 HE1 TRP 4 HE1 TRP 4 -5.547 -27.400 -18.378 36 HE3 TRP 4 HE3 TRP 4 -7.168 -23.428 -14.965 37 HZ2 TRP 4 HZ2 TRP 4 -6.569 -28.365 -15.894 38 HZ3 TRP 4 HZ3 TRP 4 -7.808 -25.170 -13.300 39 HH2 TRP 4 HH2 TRP 4 -7.536 -27.564 -13.707 40 H THR 5 H THR 5 -3.692 -24.114 -16.048 41 HA THR 5 HA THR 5 -4.618 -23.954 -13.510 42 HB THR 5 HB THR 5 -3.348 -25.868 -13.992 43 HG1 THR 5 HG1 THR 5 -1.627 -25.660 -12.483 44 1HG2 THR 5 1HG2 THR 5 -1.680 -23.942 -15.536 45 2HG2 THR 5 2HG2 THR 5 -0.744 -25.192 -14.682 46 3HG2 THR 5 3HG2 THR 5 -1.999 -25.664 -15.853 47 H SER 6 H SER 6 -1.184 -23.014 -13.895 48 HA SER 6 HA SER 6 -0.013 -21.530 -12.810 49 1HB SER 6 1HB SER 6 -2.019 -20.141 -14.331 50 2HB SER 6 2HB SER 6 -1.764 -19.234 -12.854 51 HG SER 6 HG SER 6 0.682 -19.765 -13.536 52 H GLY 7 H GLY 7 0.103 -22.207 -10.649 53 1HA GLY 7 1HA GLY 7 -2.117 -21.661 -8.852 54 2HA GLY 7 2HA GLY 7 -0.641 -22.539 -8.501 55 H ARG 8 H ARG 8 0.553 -21.528 -6.952 56 HA ARG 8 HA ARG 8 0.202 -18.760 -6.517 57 1HB ARG 8 1HB ARG 8 2.115 -19.197 -4.801 58 2HB ARG 8 2HB ARG 8 0.601 -20.042 -4.548 59 1HG ARG 8 1HG ARG 8 1.494 -22.110 -5.093 60 2HG ARG 8 2HG ARG 8 2.582 -21.448 -6.297 61 1HD ARG 8 1HD ARG 8 3.688 -20.334 -4.064 62 2HD ARG 8 2HD ARG 8 2.989 -21.769 -3.339 63 HE ARG 8 HE ARG 8 5.309 -21.691 -5.041 64 1HH1 ARG 8 2HH2 ARG 8 2.468 -23.657 -4.370 65 2HH1 ARG 8 1HH2 ARG 8 3.210 -25.134 -4.890 66 1HH2 ARG 8 2HH1 ARG 8 6.287 -23.639 -5.727 67 2HH2 ARG 8 1HH1 ARG 8 5.397 -25.123 -5.667 68 H THR 9 H THR 9 1.313 -17.128 -7.549 69 HA THR 9 HA THR 9 3.583 -17.831 -9.200 70 HB THR 9 HB THR 9 2.457 -15.042 -8.768 71 HG1 THR 9 HG1 THR 9 0.532 -16.029 -9.275 72 1HG2 THR 9 1HG2 THR 9 3.765 -14.732 -10.626 73 2HG2 THR 9 2HG2 THR 9 4.037 -16.482 -10.803 74 3HG2 THR 9 3HG2 THR 9 2.579 -15.733 -11.497 75 H SER 10 H SER 10 4.917 -15.249 -8.995 76 HA SER 10 HA SER 10 6.543 -15.953 -6.754 77 1HB SER 10 1HB SER 10 6.765 -13.889 -8.973 78 2HB SER 10 2HB SER 10 7.902 -13.916 -7.640 79 HG SER 10 HG SER 10 7.468 -16.427 -8.837 80 H SER 11 H SER 11 7.447 -13.938 -5.408 81 HA SER 11 HA SER 11 5.121 -12.777 -4.231 82 1HB SER 11 1HB SER 11 7.188 -11.677 -2.838 83 2HB SER 11 2HB SER 11 6.526 -13.263 -2.494 84 HG SER 11 HG SER 11 8.704 -12.839 -4.351 85 H SER 12 H SER 12 8.179 -10.960 -4.357 86 HA SER 12 HA SER 12 8.755 -9.064 -5.255 87 1HB SER 12 1HB SER 12 7.689 -10.169 -7.389 88 2HB SER 12 2HB SER 12 6.368 -9.048 -7.125 89 HG SER 12 HG SER 12 9.087 -8.513 -7.835 90 H TYR 13 H TYR 13 6.179 -9.622 -3.375 91 HA TYR 13 HA TYR 13 5.331 -6.803 -3.351 92 1HB TYR 13 1HB TYR 13 3.162 -7.687 -2.648 93 2HB TYR 13 2HB TYR 13 3.669 -8.720 -3.969 94 HD1 TYR 13 HD1 TYR 13 4.516 -11.017 -3.514 95 HD2 TYR 13 HD2 TYR 13 2.961 -8.535 -0.396 96 HE1 TYR 13 HE1 TYR 13 4.269 -13.051 -2.008 97 HE2 TYR 13 HE2 TYR 13 2.719 -10.577 1.099 98 HH TYR 13 HH TYR 13 4.256 -13.347 0.627 99 H ARG 14 H ARG 14 5.989 -9.758 -1.364 100 HA ARG 14 HA ARG 14 6.168 -8.029 0.943 101 1HB ARG 14 1HB ARG 14 5.443 -10.819 0.473 102 2HB ARG 14 2HB ARG 14 6.723 -10.742 1.667 103 1HG ARG 14 1HG ARG 14 4.312 -8.905 1.878 104 2HG ARG 14 2HG ARG 14 4.226 -10.553 2.468 105 1HD ARG 14 1HD ARG 14 6.695 -9.320 3.406 106 2HD ARG 14 2HD ARG 14 5.340 -8.283 3.803 107 HE ARG 14 HE ARG 14 5.843 -10.992 4.848 108 1HH1 ARG 14 2HH2 ARG 14 3.502 -8.394 4.455 109 2HH1 ARG 14 1HH2 ARG 14 2.490 -8.938 5.752 110 1HH2 ARG 14 2HH1 ARG 14 4.508 -11.709 6.558 111 2HH2 ARG 14 1HH1 ARG 14 3.067 -10.836 6.956 112 H HIS 15 H HIS 15 8.096 -9.916 -1.337 113 HA HIS 15 HA HIS 15 10.341 -10.461 0.112 114 1HB HIS 15 1HB HIS 15 9.655 -10.072 -2.725 115 2HB HIS 15 2HB HIS 15 11.341 -9.764 -2.358 116 HD1 HIS 15 HD1 HIS 15 11.244 -12.063 -4.057 117 HD2 HIS 15 HD2 HIS 15 10.384 -12.486 0.027 118 HE1 HIS 15 HE1 HIS 15 11.569 -14.534 -3.510 119 H ASP 16 H ASP 16 9.060 -7.354 -0.944 120 HA ASP 16 HA ASP 16 11.586 -6.078 -0.391 121 1HB ASP 16 1HB ASP 16 9.578 -4.121 -0.838 122 2HB ASP 16 2HB ASP 16 10.818 -4.640 -1.963 123 HD2 ASP 16 HD2 ASP 16 9.082 -4.171 -3.581 124 H GLU 17 H GLU 17 11.847 -4.599 1.403 125 HA GLU 17 HA GLU 17 9.970 -5.052 3.518 126 1HB GLU 17 1HB GLU 17 12.759 -4.032 3.261 127 2HB GLU 17 2HB GLU 17 11.826 -3.314 4.559 128 1HG GLU 17 1HG GLU 17 11.877 -6.329 4.173 129 2HG GLU 17 2HG GLU 17 13.165 -5.518 5.042 130 HE2 GLU 17 HE2 GLU 17 10.431 -7.021 5.485 131 H LYS 18 H LYS 18 11.679 -1.944 3.182 132 HA LYS 18 HA LYS 18 9.139 -0.589 3.417 133 1HB LYS 18 1HB LYS 18 12.028 0.181 3.708 134 2HB LYS 18 2HB LYS 18 10.825 1.430 3.458 135 1HG LYS 18 1HG LYS 18 9.714 -0.322 5.414 136 2HG LYS 18 2HG LYS 18 11.393 -0.113 5.870 137 1HD LYS 18 1HD LYS 18 10.823 1.888 6.771 138 2HD LYS 18 2HD LYS 18 10.564 2.483 5.143 139 1HE LYS 18 1HE LYS 18 8.221 2.057 5.218 140 2HE LYS 18 2HE LYS 18 8.371 0.922 6.545 141 1HZ LYS 18 1HZ LYS 18 8.195 2.571 7.976 142 2HZ LYS 18 2HZ LYS 18 9.368 3.457 7.263 143 3HZ LYS 18 3HZ LYS 18 7.825 3.575 6.742 144 H ARG 19 H ARG 19 10.501 -2.048 0.892 145 HA ARG 19 HA ARG 19 10.553 0.146 -0.922 146 1HB ARG 19 1HB ARG 19 11.072 -2.811 -1.037 147 2HB ARG 19 2HB ARG 19 10.572 -2.064 -2.541 148 1HG ARG 19 1HG ARG 19 12.467 -0.254 -1.566 149 2HG ARG 19 2HG ARG 19 13.127 -1.799 -1.070 150 1HD ARG 19 1HD ARG 19 14.015 -1.483 -3.254 151 2HD ARG 19 2HD ARG 19 12.684 -2.593 -3.508 152 HE ARG 19 HE ARG 19 11.513 -0.086 -3.801 153 1HH1 ARG 19 2HH2 ARG 19 14.239 -1.732 -5.299 154 2HH1 ARG 19 1HH2 ARG 19 14.078 -0.897 -6.808 155 1HH2 ARG 19 2HH1 ARG 19 11.300 1.015 -5.791 156 2HH2 ARG 19 1HH1 ARG 19 12.395 0.676 -7.090 157 H ASN 20 H ASN 20 8.154 -1.835 0.515 158 HA ASN 20 HA ASN 20 6.416 -1.617 -1.795 159 1HB ASN 20 1HB ASN 20 6.623 -3.822 -0.538 160 2HB ASN 20 2HB ASN 20 5.949 -3.041 0.878 161 1HD2 ASN 20 1HD2 ASN 20 5.302 -3.368 -2.611 162 2HD2 ASN 20 2HD2 ASN 20 3.591 -3.617 -2.495 163 H ILE 21 H ILE 21 7.321 0.652 0.049 164 HA ILE 21 HA ILE 21 4.920 1.258 1.551 165 HB ILE 21 HB ILE 21 6.189 3.193 2.327 166 1HG1 ILE 21 1HG1 ILE 21 8.717 3.139 1.693 167 2HG1 ILE 21 2HG1 ILE 21 8.184 2.267 0.270 168 1HG2 ILE 21 1HG2 ILE 21 8.214 1.721 3.239 169 2HG2 ILE 21 2HG2 ILE 21 6.541 1.502 3.805 170 3HG2 ILE 21 3HG2 ILE 21 7.214 0.407 2.574 171 1HD1 ILE 21 1HD1 ILE 21 8.000 5.112 0.842 172 2HD1 ILE 21 2HD1 ILE 21 7.667 4.255 -0.681 173 3HD1 ILE 21 3HD1 ILE 21 6.378 4.447 0.531 174 H TYR 22 H TYR 22 6.836 2.578 -1.226 175 HA TYR 22 HA TYR 22 5.371 4.770 -1.831 176 1HB TYR 22 1HB TYR 22 6.312 4.400 -4.063 177 2HB TYR 22 2HB TYR 22 7.444 3.659 -2.950 178 HD1 TYR 22 HD1 TYR 22 6.970 1.079 -2.440 179 HD2 TYR 22 HD2 TYR 22 5.616 3.176 -5.914 180 HE1 TYR 22 HE1 TYR 22 6.751 -1.123 -3.692 181 HE2 TYR 22 HE2 TYR 22 5.401 0.968 -7.155 182 HH TYR 22 HH TYR 22 5.893 -1.169 -7.120 183 H GLN 23 H GLN 23 4.560 1.336 -2.564 184 HA GLN 23 HA GLN 23 2.315 2.057 -4.116 185 1HB GLN 23 1HB GLN 23 3.228 -0.052 -4.643 186 2HB GLN 23 2HB GLN 23 3.408 -0.514 -2.963 187 1HG GLN 23 1HG GLN 23 1.188 -1.171 -2.750 188 2HG GLN 23 2HG GLN 23 0.606 0.029 -3.887 189 1HE2 GLN 23 1HE2 GLN 23 1.231 -3.186 -3.383 190 2HE2 GLN 23 2HE2 GLN 23 1.249 -3.775 -5.012 191 H LYS 24 H LYS 24 2.975 1.578 -0.684 192 HA LYS 24 HA LYS 24 0.325 1.031 0.112 193 1HB LYS 24 1HB LYS 24 2.781 0.947 1.304 194 2HB LYS 24 2HB LYS 24 2.118 2.400 2.025 195 1HG LYS 24 1HG LYS 24 -0.068 0.811 2.262 196 2HG LYS 24 2HG LYS 24 1.158 -0.442 2.247 197 1HD LYS 24 1HD LYS 24 2.384 1.005 4.052 198 2HD LYS 24 2HD LYS 24 0.863 1.862 4.211 199 1HE LYS 24 1HE LYS 24 0.492 -1.067 4.232 200 2HE LYS 24 2HE LYS 24 1.560 -0.529 5.513 201 1HZ LYS 24 1HZ LYS 24 -0.189 0.225 6.583 202 2HZ LYS 24 2HZ LYS 24 -0.594 1.223 5.355 203 3HZ LYS 24 3HZ LYS 24 -1.186 -0.298 5.400 204 H ILE 25 H ILE 25 2.274 4.063 0.602 205 HA ILE 25 HA ILE 25 0.212 5.679 1.321 206 HB ILE 25 HB ILE 25 2.521 6.533 -0.420 207 1HG1 ILE 25 1HG1 ILE 25 3.333 6.900 2.189 208 2HG1 ILE 25 2HG1 ILE 25 2.519 5.350 2.274 209 1HG2 ILE 25 1HG2 ILE 25 1.262 8.427 -0.140 210 2HG2 ILE 25 2HG2 ILE 25 0.625 7.911 1.440 211 3HG2 ILE 25 3HG2 ILE 25 2.296 8.510 1.307 212 1HD1 ILE 25 1HD1 ILE 25 3.978 5.140 -0.099 213 2HD1 ILE 25 2HD1 ILE 25 5.066 6.056 0.972 214 3HD1 ILE 25 3HD1 ILE 25 4.454 4.462 1.476 215 H ARG 26 H ARG 26 1.370 4.966 -2.037 216 HA ARG 26 HA ARG 26 -0.329 6.628 -3.342 217 1HB ARG 26 1HB ARG 26 1.230 4.195 -3.979 218 2HB ARG 26 2HB ARG 26 -0.191 4.354 -4.993 219 1HG ARG 26 1HG ARG 26 0.797 6.955 -4.987 220 2HG ARG 26 2HG ARG 26 2.272 6.012 -4.922 221 1HD ARG 26 1HD ARG 26 1.896 6.162 -7.243 222 2HD ARG 26 2HD ARG 26 1.197 4.600 -6.868 223 HE ARG 26 HE ARG 26 -0.935 6.333 -6.526 224 1HH1 ARG 26 2HH2 ARG 26 1.329 5.749 -9.155 225 2HH1 ARG 26 1HH2 ARG 26 0.204 6.200 -10.394 226 1HH2 ARG 26 2HH1 ARG 26 -2.419 6.928 -8.158 227 2HH2 ARG 26 1HH1 ARG 26 -1.941 6.876 -9.823 228 H ASP 27 H ASP 27 -0.980 3.593 -1.663 229 HA ASP 27 HA ASP 27 -3.400 3.058 -3.018 230 1HB ASP 27 1HB ASP 27 -1.726 1.631 -1.361 231 2HB ASP 27 2HB ASP 27 -3.008 2.033 -0.236 232 HD2 ASP 27 HD2 ASP 27 -2.490 -0.786 -1.804 233 H HIS 28 H HIS 28 -2.317 5.165 -0.441 234 HA HIS 28 HA HIS 28 -4.950 5.370 0.739 235 1HB HIS 28 1HB HIS 28 -2.311 5.700 1.663 236 2HB HIS 28 2HB HIS 28 -3.011 7.307 1.682 237 HD1 HIS 28 HD1 HIS 28 -3.273 7.499 4.221 238 HD2 HIS 28 HD2 HIS 28 -5.156 4.115 2.609 239 HE1 HIS 28 HE1 HIS 28 -4.691 6.509 6.096 240 H ASP 29 H ASP 29 -2.973 6.848 -1.729 241 HA ASP 29 HA ASP 29 -4.237 9.377 -1.579 242 1HB ASP 29 1HB ASP 29 -1.954 8.372 -2.784 243 2HB ASP 29 2HB ASP 29 -3.022 8.526 -4.164 244 HD2 ASP 29 HD2 ASP 29 -1.352 11.290 -2.055 245 H LEU 30 H LEU 30 -4.781 6.233 -3.120 246 HA LEU 30 HA LEU 30 -6.328 6.978 -5.291 247 1HB LEU 30 1HB LEU 30 -6.267 4.524 -3.550 248 2HB LEU 30 2HB LEU 30 -7.352 4.661 -4.919 249 HG LEU 30 HG LEU 30 -4.354 4.986 -5.164 250 1HD1 LEU 30 1HD1 LEU 30 -4.050 2.800 -4.975 251 2HD1 LEU 30 2HD1 LEU 30 -5.766 2.605 -4.544 252 3HD1 LEU 30 3HD1 LEU 30 -5.258 2.497 -6.247 253 1HD2 LEU 30 1HD2 LEU 30 -4.694 5.382 -7.325 254 2HD2 LEU 30 2HD2 LEU 30 -5.796 3.993 -7.482 255 3HD2 LEU 30 3HD2 LEU 30 -6.422 5.568 -6.937 256 H LEU 31 H LEU 31 -7.037 6.910 -1.819 257 HA LEU 31 HA LEU 31 -9.865 7.337 -2.365 258 1HB LEU 31 1HB LEU 31 -8.574 7.202 0.344 259 2HB LEU 31 2HB LEU 31 -10.242 6.896 -0.097 260 HG LEU 31 HG LEU 31 -8.594 5.035 -1.519 261 1HD1 LEU 31 1HD1 LEU 31 -7.725 3.800 0.531 262 2HD1 LEU 31 2HD1 LEU 31 -6.826 5.249 0.021 263 3HD1 LEU 31 3HD1 LEU 31 -7.933 5.332 1.412 264 1HD2 LEU 31 1HD2 LEU 31 -10.762 4.361 -1.146 265 2HD2 LEU 31 2HD2 LEU 31 -9.894 3.449 0.112 266 3HD2 LEU 31 3HD2 LEU 31 -10.772 4.938 0.539 267 H ASP 32 H ASP 32 -7.428 9.237 -2.894 268 HA ASP 32 HA ASP 32 -8.453 11.441 -1.292 269 1HB ASP 32 1HB ASP 32 -5.798 10.575 -1.930 270 2HB ASP 32 2HB ASP 32 -6.042 12.080 -2.794 271 HD2 ASP 32 HD2 ASP 32 -5.315 11.208 0.685 272 H LYS 33 H LYS 33 -8.183 9.997 -4.455 273 HA LYS 33 HA LYS 33 -8.008 12.032 -6.214 274 1HB LYS 33 1HB LYS 33 -9.270 9.377 -6.162 275 2HB LYS 33 2HB LYS 33 -10.004 10.474 -7.314 276 1HG LYS 33 1HG LYS 33 -7.472 11.034 -7.944 277 2HG LYS 33 2HG LYS 33 -7.148 9.482 -7.197 278 1HD LYS 33 1HD LYS 33 -8.084 8.312 -8.929 279 2HD LYS 33 2HD LYS 33 -9.456 9.396 -9.047 280 1HE LYS 33 1HE LYS 33 -7.676 11.094 -10.061 281 2HE LYS 33 2HE LYS 33 -6.731 9.646 -10.350 282 1HZ LYS 33 1HZ LYS 33 -9.310 9.113 -11.166 283 2HZ LYS 33 2HZ LYS 33 -8.931 10.580 -11.775 284 3HZ LYS 33 3HZ LYS 33 -7.984 9.290 -12.104 285 H ARG 34 H ARG 34 -10.670 11.325 -3.971 286 HA ARG 34 HA ARG 34 -12.159 13.491 -5.201 287 1HB ARG 34 1HB ARG 34 -13.325 11.833 -2.970 288 2HB ARG 34 2HB ARG 34 -14.124 12.511 -4.374 289 1HG ARG 34 1HG ARG 34 -13.009 10.830 -5.840 290 2HG ARG 34 2HG ARG 34 -12.166 10.166 -4.454 291 1HD ARG 34 1HD ARG 34 -14.095 8.753 -4.850 292 2HD ARG 34 2HD ARG 34 -14.426 9.668 -3.393 293 HE ARG 34 HE ARG 34 -15.488 11.269 -5.387 294 1HH1 ARG 34 2HH2 ARG 34 -15.906 7.891 -4.495 295 2HH1 ARG 34 1HH2 ARG 34 -17.536 7.806 -5.076 296 1HH2 ARG 34 2HH1 ARG 34 -17.638 11.158 -6.154 297 2HH2 ARG 34 1HH1 ARG 34 -18.528 9.678 -6.026 298 H LYS 35 H LYS 35 -10.338 12.473 -2.363 299 HA LYS 35 HA LYS 35 -11.433 14.257 -0.495 300 1HB LYS 35 1HB LYS 35 -9.925 12.184 -0.159 301 2HB LYS 35 2HB LYS 35 -8.583 13.265 -0.475 302 1HG LYS 35 1HG LYS 35 -8.704 14.121 1.621 303 2HG LYS 35 2HG LYS 35 -10.386 14.556 1.393 304 1HD LYS 35 1HD LYS 35 -11.006 12.135 1.909 305 2HD LYS 35 2HD LYS 35 -9.324 11.841 2.303 306 1HE LYS 35 1HE LYS 35 -9.632 13.959 3.897 307 2HE LYS 35 2HE LYS 35 -11.336 13.572 3.760 308 1HZ LYS 35 1HZ LYS 35 -10.307 12.447 5.608 309 2HZ LYS 35 2HZ LYS 35 -10.842 11.353 4.519 310 3HZ LYS 35 3HZ LYS 35 -9.248 11.691 4.621 311 H THR 36 H THR 36 -8.136 14.499 -1.996 312 HA THR 36 HA THR 36 -6.873 16.361 -2.223 313 HB THR 36 HB THR 36 -9.275 17.323 -3.837 314 HG1 THR 36 HG1 THR 36 -9.158 15.146 -4.410 315 1HG2 THR 36 1HG2 THR 36 -6.788 17.052 -5.280 316 2HG2 THR 36 2HG2 THR 36 -7.675 18.549 -4.909 317 3HG2 THR 36 3HG2 THR 36 -6.450 17.935 -3.772 318 H VAL 37 H VAL 37 -7.678 19.084 -2.774 319 HA VAL 37 HA VAL 37 -8.027 19.892 -0.039 320 HB VAL 37 HB VAL 37 -6.421 20.863 -1.751 321 1HG1 VAL 37 1HG1 VAL 37 -7.471 22.803 -3.064 322 2HG1 VAL 37 2HG1 VAL 37 -7.733 21.157 -3.688 323 3HG1 VAL 37 3HG1 VAL 37 -9.029 21.985 -2.792 324 1HG2 VAL 37 1HG2 VAL 37 -7.403 21.899 0.498 325 2HG2 VAL 37 2HG2 VAL 37 -6.310 22.819 -0.564 326 3HG2 VAL 37 3HG2 VAL 37 -8.066 23.098 -0.638 327 H THR 38 H THR 38 -9.533 22.057 0.113 328 HA THR 38 HA THR 38 -11.715 22.476 0.537 329 HB THR 38 HB THR 38 -12.108 22.269 -2.458 330 HG1 THR 38 HG1 THR 38 -10.282 23.953 -0.892 331 1HG2 THR 38 1HG2 THR 38 -12.476 24.879 -1.752 332 2HG2 THR 38 2HG2 THR 38 -13.782 23.673 -1.651 333 3HG2 THR 38 3HG2 THR 38 -12.853 24.103 -0.195 334 H ALA 39 H ALA 39 -14.064 21.845 -1.015 335 HA ALA 39 HA ALA 39 -15.680 20.333 -1.013 336 1HB ALA 39 1HB ALA 39 -14.681 17.865 -1.489 337 2HB ALA 39 2HB ALA 39 -14.825 19.111 -2.752 338 3HB ALA 39 3HB ALA 39 -13.264 18.844 -1.940 339 H LEU 40 H LEU 40 -16.651 18.430 0.189 340 HA LEU 40 HA LEU 40 -17.238 17.730 2.226 341 1HB LEU 40 1HB LEU 40 -14.429 16.712 1.874 342 2HB LEU 40 2HB LEU 40 -15.402 16.264 3.260 343 HG LEU 40 HG LEU 40 -16.799 15.880 0.706 344 1HD1 LEU 40 1HD1 LEU 40 -15.458 14.426 -0.386 345 2HD1 LEU 40 2HD1 LEU 40 -14.173 15.358 0.421 346 3HD1 LEU 40 3HD1 LEU 40 -14.716 13.808 1.109 347 1HD2 LEU 40 1HD2 LEU 40 -16.791 14.826 3.347 348 2HD2 LEU 40 2HD2 LEU 40 -17.920 14.487 2.013 349 3HD2 LEU 40 3HD2 LEU 40 -16.464 13.485 2.223 350 H LYS 41 H LYS 41 -17.667 19.694 3.314 351 HA LYS 41 HA LYS 41 -15.786 21.383 4.383 352 1HB LYS 41 1HB LYS 41 -17.552 22.436 5.381 353 2HB LYS 41 2HB LYS 41 -18.412 21.492 4.181 354 1HG LYS 41 1HG LYS 41 -18.918 19.743 5.842 355 2HG LYS 41 2HG LYS 41 -17.930 20.548 7.046 356 1HD LYS 41 1HD LYS 41 -19.634 21.931 7.630 357 2HD LYS 41 2HD LYS 41 -19.876 22.431 5.968 358 1HE LYS 41 1HE LYS 41 -21.343 20.545 5.518 359 2HE LYS 41 2HE LYS 41 -20.918 19.769 7.031 360 1HZ LYS 41 1HZ LYS 41 -22.729 20.803 7.757 361 2HZ LYS 41 2HZ LYS 41 -21.799 22.142 7.854 362 3HZ LYS 41 3HZ LYS 41 -22.754 21.904 6.551 363 H ALA 42 H ALA 42 -15.698 21.721 6.973 364 HA ALA 42 HA ALA 42 -15.624 19.380 8.535 365 1HB ALA 42 1HB ALA 42 -12.907 19.859 8.672 366 2HB ALA 42 2HB ALA 42 -13.670 18.526 7.772 367 3HB ALA 42 3HB ALA 42 -13.234 20.033 6.931 368 H GLY 43 H GLY 43 -14.067 19.981 10.601 369 1HA GLY 43 1HA GLY 43 -14.770 22.779 11.257 370 2HA GLY 43 2HA GLY 43 -14.812 21.443 12.390 371 H GLU 44 H GLU 44 -12.702 20.290 12.863 372 HA GLU 44 HA GLU 44 -10.274 21.213 12.052 373 1HB GLU 44 1HB GLU 44 -11.472 23.188 13.643 374 2HB GLU 44 2HB GLU 44 -10.400 22.365 14.758 375 1HG GLU 44 1HG GLU 44 -8.791 23.737 13.883 376 2HG GLU 44 2HG GLU 44 -8.748 22.574 12.572 377 HE2 GLU 44 HE2 GLU 44 -10.153 23.889 10.319 378 H ASP 45 H ASP 45 -8.570 20.000 13.040 379 HA ASP 45 HA ASP 45 -7.689 18.335 14.112 380 1HB ASP 45 1HB ASP 45 -9.002 19.822 16.096 381 2HB ASP 45 2HB ASP 45 -9.556 18.188 16.404 382 HD2 ASP 45 HD2 ASP 45 -5.686 18.186 16.116 Start of MODEL 24 1 H MET 1 H MET 1 3.712 0.723 -21.036 2 HA MET 1 HA MET 1 4.208 -0.991 -22.301 3 1HB MET 1 1HB MET 1 6.166 1.035 -23.295 4 2HB MET 1 2HB MET 1 6.688 -0.619 -23.544 5 1HG MET 1 1HG MET 1 5.431 0.014 -25.512 6 2HG MET 1 2HG MET 1 4.420 -1.099 -24.612 7 1HE MET 1 1HE MET 1 2.335 -0.873 -24.265 8 2HE MET 1 2HE MET 1 2.259 0.122 -22.791 9 3HE MET 1 3HE MET 1 1.295 0.571 -24.218 10 H PHE 2 H PHE 2 4.495 -2.118 -20.244 11 HA PHE 2 HA PHE 2 7.289 -2.465 -19.458 12 1HB PHE 2 1HB PHE 2 5.157 -1.835 -17.947 13 2HB PHE 2 2HB PHE 2 4.787 -3.544 -18.071 14 HD1 PHE 2 HD1 PHE 2 5.149 -4.357 -15.920 15 HD2 PHE 2 HD2 PHE 2 8.115 -1.913 -17.720 16 HE1 PHE 2 HE1 PHE 2 6.702 -4.831 -14.006 17 HE2 PHE 2 HE2 PHE 2 9.668 -2.388 -15.806 18 HZ PHE 2 HZ PHE 2 8.943 -3.841 -13.972 19 H ILE 3 H ILE 3 7.346 -4.909 -18.281 20 HA ILE 3 HA ILE 3 6.407 -6.746 -20.369 21 HB ILE 3 HB ILE 3 8.833 -6.164 -20.560 22 1HG1 ILE 3 1HG1 ILE 3 7.841 -8.242 -21.468 23 2HG1 ILE 3 2HG1 ILE 3 9.524 -8.421 -21.016 24 1HG2 ILE 3 1HG2 ILE 3 9.792 -7.911 -18.492 25 2HG2 ILE 3 2HG2 ILE 3 10.194 -6.207 -18.811 26 3HG2 ILE 3 3HG2 ILE 3 8.808 -6.614 -17.772 27 1HD1 ILE 3 1HD1 ILE 3 8.859 -10.239 -19.825 28 2HD1 ILE 3 2HD1 ILE 3 8.179 -9.084 -18.654 29 3HD1 ILE 3 3HD1 ILE 3 7.145 -9.771 -19.929 30 H TRP 4 H TRP 4 5.478 -8.646 -19.650 31 HA TRP 4 HA TRP 4 5.622 -9.143 -16.764 32 1HB TRP 4 1HB TRP 4 3.373 -9.201 -16.452 33 2HB TRP 4 2HB TRP 4 3.497 -7.895 -17.614 34 HD1 TRP 4 HD1 TRP 4 2.120 -8.200 -19.849 35 HE1 TRP 4 HE1 TRP 4 0.624 -10.061 -20.972 36 HE3 TRP 4 HE3 TRP 4 3.315 -11.886 -16.557 37 HZ2 TRP 4 HZ2 TRP 4 0.120 -12.805 -20.371 38 HZ3 TRP 4 HZ3 TRP 4 2.277 -14.127 -16.897 39 HH2 TRP 4 HH2 TRP 4 0.730 -14.616 -18.724 40 H THR 5 H THR 5 5.465 -11.405 -16.228 41 HA THR 5 HA THR 5 4.926 -13.367 -18.198 42 HB THR 5 HB THR 5 7.518 -14.152 -17.893 43 HG1 THR 5 HG1 THR 5 8.787 -12.246 -17.716 44 1HG2 THR 5 1HG2 THR 5 7.640 -13.738 -20.144 45 2HG2 THR 5 2HG2 THR 5 6.007 -13.044 -20.006 46 3HG2 THR 5 3HG2 THR 5 7.435 -11.988 -19.892 47 H SER 6 H SER 6 4.219 -15.152 -17.189 48 HA SER 6 HA SER 6 3.802 -16.588 -15.616 49 1HB SER 6 1HB SER 6 6.592 -15.814 -15.022 50 2HB SER 6 2HB SER 6 5.740 -16.417 -13.614 51 HG SER 6 HG SER 6 6.877 -17.907 -15.430 52 H GLY 7 H GLY 7 2.000 -16.089 -14.421 53 1HA GLY 7 1HA GLY 7 1.291 -13.794 -13.241 54 2HA GLY 7 2HA GLY 7 0.826 -15.365 -12.619 55 H ARG 8 H ARG 8 2.863 -16.506 -11.380 56 HA ARG 8 HA ARG 8 3.215 -14.922 -9.129 57 1HB ARG 8 1HB ARG 8 4.337 -17.569 -10.091 58 2HB ARG 8 2HB ARG 8 5.020 -16.839 -8.652 59 1HG ARG 8 1HG ARG 8 2.491 -16.587 -7.897 60 2HG ARG 8 2HG ARG 8 2.187 -17.812 -9.112 61 1HD ARG 8 1HD ARG 8 3.504 -19.445 -7.988 62 2HD ARG 8 2HD ARG 8 4.394 -18.243 -7.075 63 HE ARG 8 HE ARG 8 1.635 -18.019 -6.370 64 1HH1 ARG 8 2HH2 ARG 8 4.321 -20.263 -6.004 65 2HH1 ARG 8 1HH2 ARG 8 3.722 -20.938 -4.526 66 1HH2 ARG 8 2HH1 ARG 8 0.845 -18.909 -4.419 67 2HH2 ARG 8 1HH1 ARG 8 1.732 -20.162 -3.618 68 H THR 9 H THR 9 4.980 -13.667 -8.403 69 HA THR 9 HA THR 9 7.123 -13.292 -10.385 70 HB THR 9 HB THR 9 7.285 -11.055 -8.969 71 HG1 THR 9 HG1 THR 9 5.805 -11.721 -7.311 72 1HG2 THR 9 1HG2 THR 9 5.721 -11.784 -11.261 73 2HG2 THR 9 2HG2 THR 9 4.664 -10.814 -10.208 74 3HG2 THR 9 3HG2 THR 9 6.215 -10.146 -10.770 75 H SER 10 H SER 10 8.979 -11.970 -8.781 76 HA SER 10 HA SER 10 10.133 -14.226 -7.544 77 1HB SER 10 1HB SER 10 11.085 -11.343 -7.326 78 2HB SER 10 2HB SER 10 12.053 -12.796 -7.175 79 HG SER 10 HG SER 10 11.973 -13.149 -9.367 80 H SER 11 H SER 11 11.191 -13.890 -5.222 81 HA SER 11 HA SER 11 8.980 -13.304 -3.503 82 1HB SER 11 1HB SER 11 11.352 -14.966 -3.423 83 2HB SER 11 2HB SER 11 11.331 -13.948 -1.997 84 HG SER 11 HG SER 11 8.915 -15.276 -2.771 85 H SER 12 H SER 12 11.409 -11.493 -4.944 86 HA SER 12 HA SER 12 12.012 -9.912 -2.622 87 1HB SER 12 1HB SER 12 12.847 -9.664 -5.545 88 2HB SER 12 2HB SER 12 13.392 -8.577 -4.282 89 HG SER 12 HG SER 12 14.279 -11.122 -4.912 90 H TYR 13 H TYR 13 9.240 -9.964 -3.175 91 HA TYR 13 HA TYR 13 8.795 -7.305 -4.355 92 1HB TYR 13 1HB TYR 13 6.643 -8.231 -5.040 93 2HB TYR 13 2HB TYR 13 7.804 -9.497 -5.387 94 HD1 TYR 13 HD1 TYR 13 8.061 -11.412 -3.717 95 HD2 TYR 13 HD2 TYR 13 4.841 -8.599 -3.542 96 HE1 TYR 13 HE1 TYR 13 6.722 -13.023 -2.276 97 HE2 TYR 13 HE2 TYR 13 3.514 -10.220 -2.102 98 HH TYR 13 HH TYR 13 4.944 -13.293 -1.059 99 H ARG 14 H ARG 14 7.788 -9.625 -1.762 100 HA ARG 14 HA ARG 14 6.542 -7.400 -0.408 101 1HB ARG 14 1HB ARG 14 6.143 -10.302 -0.495 102 2HB ARG 14 2HB ARG 14 6.299 -9.766 1.166 103 1HG ARG 14 1HG ARG 14 4.551 -8.083 -0.595 104 2HG ARG 14 2HG ARG 14 3.948 -9.687 -0.225 105 1HD ARG 14 1HD ARG 14 3.165 -8.754 1.709 106 2HD ARG 14 2HD ARG 14 4.822 -8.851 2.271 107 HE ARG 14 HE ARG 14 4.771 -6.464 0.861 108 1HH1 ARG 14 2HH2 ARG 14 2.850 -7.794 3.492 109 2HH1 ARG 14 1HH2 ARG 14 2.488 -6.246 4.180 110 1HH2 ARG 14 2HH1 ARG 14 4.293 -4.421 1.768 111 2HH2 ARG 14 1HH1 ARG 14 3.315 -4.315 3.193 112 H HIS 15 H HIS 15 9.351 -9.548 -0.330 113 HA HIS 15 HA HIS 15 10.089 -9.505 2.277 114 1HB HIS 15 1HB HIS 15 11.307 -10.023 -0.257 115 2HB HIS 15 2HB HIS 15 12.427 -9.064 0.690 116 HD1 HIS 15 HD1 HIS 15 13.040 -10.080 3.147 117 HD2 HIS 15 HD2 HIS 15 11.180 -12.690 0.440 118 HE1 HIS 15 HE1 HIS 15 13.445 -12.438 4.034 119 H ASP 16 H ASP 16 10.934 -7.015 -0.235 120 HA ASP 16 HA ASP 16 12.404 -5.334 1.137 121 1HB ASP 16 1HB ASP 16 10.456 -3.622 -0.021 122 2HB ASP 16 2HB ASP 16 11.969 -4.139 -0.738 123 HD2 ASP 16 HD2 ASP 16 8.841 -5.112 -2.652 124 H GLU 17 H GLU 17 12.144 -3.744 2.807 125 HA GLU 17 HA GLU 17 9.776 -4.093 4.383 126 1HB GLU 17 1HB GLU 17 12.530 -3.105 4.795 127 2HB GLU 17 2HB GLU 17 11.330 -2.149 5.642 128 1HG GLU 17 1HG GLU 17 10.365 -4.537 6.349 129 2HG GLU 17 2HG GLU 17 11.983 -5.086 5.961 130 HE2 GLU 17 HE2 GLU 17 10.588 -2.414 8.008 131 H LYS 18 H LYS 18 11.550 -0.990 4.000 132 HA LYS 18 HA LYS 18 9.009 0.331 3.596 133 1HB LYS 18 1HB LYS 18 11.791 1.176 4.329 134 2HB LYS 18 2HB LYS 18 10.702 2.364 3.643 135 1HG LYS 18 1HG LYS 18 9.195 0.896 5.595 136 2HG LYS 18 2HG LYS 18 10.736 1.280 6.334 137 1HD LYS 18 1HD LYS 18 10.419 3.615 6.117 138 2HD LYS 18 2HD LYS 18 9.262 3.442 4.812 139 1HE LYS 18 1HE LYS 18 7.491 3.208 6.246 140 2HE LYS 18 2HE LYS 18 8.368 2.122 7.305 141 1HZ LYS 18 1HZ LYS 18 8.418 3.863 8.652 142 2HZ LYS 18 2HZ LYS 18 9.604 4.462 7.703 143 3HZ LYS 18 3HZ LYS 18 8.060 4.946 7.483 144 H ARG 19 H ARG 19 10.601 -1.477 1.560 145 HA ARG 19 HA ARG 19 10.858 0.518 -0.520 146 1HB ARG 19 1HB ARG 19 11.921 -2.262 -0.075 147 2HB ARG 19 2HB ARG 19 11.636 -1.795 -1.739 148 1HG ARG 19 1HG ARG 19 12.927 0.444 -0.557 149 2HG ARG 19 2HG ARG 19 13.776 -0.954 0.071 150 1HD ARG 19 1HD ARG 19 14.858 -0.307 -2.011 151 2HD ARG 19 2HD ARG 19 14.022 -1.820 -2.297 152 HE ARG 19 HE ARG 19 12.311 0.445 -2.902 153 1HH1 ARG 19 2HH2 ARG 19 14.963 -1.487 -4.173 154 2HH1 ARG 19 1HH2 ARG 19 14.596 -1.135 -5.828 155 1HH2 ARG 19 2HH1 ARG 19 11.825 0.910 -5.086 156 2HH2 ARG 19 1HH1 ARG 19 12.799 0.238 -6.351 157 H ASN 20 H ASN 20 8.612 -1.693 0.793 158 HA ASN 20 HA ASN 20 7.286 -1.927 -1.793 159 1HB ASN 20 1HB ASN 20 8.013 -4.038 -0.298 160 2HB ASN 20 2HB ASN 20 6.553 -3.652 0.592 161 1HD2 ASN 20 1HD2 ASN 20 4.879 -4.774 -0.006 162 2HD2 ASN 20 2HD2 ASN 20 4.482 -5.315 -1.603 163 H ILE 21 H ILE 21 7.216 0.412 0.018 164 HA ILE 21 HA ILE 21 4.470 0.208 1.040 165 HB ILE 21 HB ILE 21 5.376 2.384 2.272 166 1HG1 ILE 21 1HG1 ILE 21 7.710 2.017 3.025 167 2HG1 ILE 21 2HG1 ILE 21 7.870 0.704 1.876 168 1HG2 ILE 21 1HG2 ILE 21 5.285 -0.491 2.954 169 2HG2 ILE 21 2HG2 ILE 21 6.249 0.533 4.045 170 3HG2 ILE 21 3HG2 ILE 21 4.534 0.911 3.752 171 1HD1 ILE 21 1HD1 ILE 21 6.818 3.191 0.658 172 2HD1 ILE 21 2HD1 ILE 21 8.452 3.360 1.345 173 3HD1 ILE 21 3HD1 ILE 21 8.130 2.121 0.107 174 H TYR 22 H TYR 22 6.723 1.796 -1.161 175 HA TYR 22 HA TYR 22 5.528 4.180 -1.667 176 1HB TYR 22 1HB TYR 22 6.620 3.897 -3.862 177 2HB TYR 22 2HB TYR 22 7.606 3.038 -2.696 178 HD1 TYR 22 HD1 TYR 22 5.621 2.764 -5.700 179 HD2 TYR 22 HD2 TYR 22 7.383 0.512 -2.517 180 HE1 TYR 22 HE1 TYR 22 5.419 0.639 -7.082 181 HE2 TYR 22 HE2 TYR 22 7.175 -1.605 -3.910 182 HH TYR 22 HH TYR 22 5.359 -2.199 -6.021 183 H GLN 23 H GLN 23 4.509 0.918 -2.814 184 HA GLN 23 HA GLN 23 2.487 2.004 -4.468 185 1HB GLN 23 1HB GLN 23 3.336 -0.106 -5.147 186 2HB GLN 23 2HB GLN 23 3.229 -0.781 -3.533 187 1HG GLN 23 1HG GLN 23 1.412 -1.718 -4.846 188 2HG GLN 23 2HG GLN 23 0.710 -0.622 -3.673 189 1HE2 GLN 23 1HE2 GLN 23 0.368 -1.618 -6.673 190 2HE2 GLN 23 2HE2 GLN 23 -0.192 -0.198 -7.492 191 H LYS 24 H LYS 24 2.813 1.252 -1.072 192 HA LYS 24 HA LYS 24 0.055 0.780 -0.571 193 1HB LYS 24 1HB LYS 24 2.418 0.412 0.810 194 2HB LYS 24 2HB LYS 24 1.694 1.760 1.664 195 1HG LYS 24 1HG LYS 24 -0.486 0.053 1.255 196 2HG LYS 24 2HG LYS 24 0.831 -1.068 1.542 197 1HD LYS 24 1HD LYS 24 1.432 0.302 3.618 198 2HD LYS 24 2HD LYS 24 -0.035 1.226 3.361 199 1HE LYS 24 1HE LYS 24 -0.446 -1.720 3.304 200 2HE LYS 24 2HE LYS 24 0.133 -1.117 4.844 201 1HZ LYS 24 1HZ LYS 24 -2.196 -0.986 4.849 202 2HZ LYS 24 2HZ LYS 24 -1.672 0.554 4.700 203 3HZ LYS 24 3HZ LYS 24 -2.263 -0.237 3.399 204 H ILE 25 H ILE 25 2.199 3.560 0.386 205 HA ILE 25 HA ILE 25 0.331 5.288 1.216 206 HB ILE 25 HB ILE 25 2.637 6.062 -0.568 207 1HG1 ILE 25 1HG1 ILE 25 3.488 6.219 2.080 208 2HG1 ILE 25 2HG1 ILE 25 2.631 4.692 2.012 209 1HG2 ILE 25 1HG2 ILE 25 2.633 8.135 0.552 210 2HG2 ILE 25 2HG2 ILE 25 0.931 7.806 0.148 211 3HG2 ILE 25 3HG2 ILE 25 1.518 7.550 1.809 212 1HD1 ILE 25 1HD1 ILE 25 5.157 5.509 0.666 213 2HD1 ILE 25 2HD1 ILE 25 4.622 3.898 1.203 214 3HD1 ILE 25 3HD1 ILE 25 4.038 4.561 -0.343 215 H ARG 26 H ARG 26 1.374 4.936 -2.248 216 HA ARG 26 HA ARG 26 -0.154 6.734 -3.410 217 1HB ARG 26 1HB ARG 26 0.962 4.141 -4.169 218 2HB ARG 26 2HB ARG 26 -0.556 4.396 -5.007 219 1HG ARG 26 1HG ARG 26 0.717 6.894 -5.201 220 2HG ARG 26 2HG ARG 26 2.037 5.755 -5.377 221 1HD ARG 26 1HD ARG 26 0.009 4.634 -6.967 222 2HD ARG 26 2HD ARG 26 -0.176 6.355 -7.239 223 HE ARG 26 HE ARG 26 2.612 5.697 -7.377 224 1HH1 ARG 26 2HH2 ARG 26 -0.372 5.253 -9.188 225 2HH1 ARG 26 1HH2 ARG 26 0.426 5.135 -10.720 226 1HH2 ARG 26 2HH1 ARG 26 3.665 5.541 -9.399 227 2HH2 ARG 26 1HH1 ARG 26 2.738 5.300 -10.841 228 H ASP 27 H ASP 27 -1.277 3.357 -2.627 229 HA ASP 27 HA ASP 27 -3.789 3.498 -3.530 230 1HB ASP 27 1HB ASP 27 -2.565 1.583 -2.302 231 2HB ASP 27 2HB ASP 27 -3.080 2.331 -0.803 232 HD2 ASP 27 HD2 ASP 27 -5.593 0.042 -2.797 233 H HIS 28 H HIS 28 -2.382 4.909 -0.542 234 HA HIS 28 HA HIS 28 -4.759 5.543 0.750 235 1HB HIS 28 1HB HIS 28 -3.370 6.302 2.315 236 2HB HIS 28 2HB HIS 28 -2.066 5.755 1.280 237 HD1 HIS 28 HD1 HIS 28 -2.812 8.565 3.188 238 HD2 HIS 28 HD2 HIS 28 -1.663 8.107 -0.820 239 HE1 HIS 28 HE1 HIS 28 -1.836 10.809 2.463 240 H ASP 29 H ASP 29 -2.936 7.138 -1.875 241 HA ASP 29 HA ASP 29 -4.200 9.591 -1.714 242 1HB ASP 29 1HB ASP 29 -2.161 8.682 -3.166 243 2HB ASP 29 2HB ASP 29 -3.400 8.355 -4.362 244 HD2 ASP 29 HD2 ASP 29 -4.599 10.148 -5.045 245 H LEU 30 H LEU 30 -5.064 6.442 -3.177 246 HA LEU 30 HA LEU 30 -7.030 7.232 -4.940 247 1HB LEU 30 1HB LEU 30 -6.920 4.731 -3.249 248 2HB LEU 30 2HB LEU 30 -7.893 4.957 -4.689 249 HG LEU 30 HG LEU 30 -4.871 5.134 -4.697 250 1HD1 LEU 30 1HD1 LEU 30 -5.736 2.898 -3.910 251 2HD1 LEU 30 2HD1 LEU 30 -6.501 2.719 -5.508 252 3HD1 LEU 30 3HD1 LEU 30 -4.732 2.865 -5.380 253 1HD2 LEU 30 1HD2 LEU 30 -5.353 4.522 -7.172 254 2HD2 LEU 30 2HD2 LEU 30 -6.998 5.105 -6.822 255 3HD2 LEU 30 3HD2 LEU 30 -5.605 6.196 -6.621 256 H LEU 31 H LEU 31 -6.928 7.424 -1.465 257 HA LEU 31 HA LEU 31 -9.821 7.553 -1.262 258 1HB LEU 31 1HB LEU 31 -7.765 7.950 0.907 259 2HB LEU 31 2HB LEU 31 -9.476 7.623 1.097 260 HG LEU 31 HG LEU 31 -8.090 5.548 -0.443 261 1HD1 LEU 31 1HD1 LEU 31 -6.562 4.753 1.054 262 2HD1 LEU 31 2HD1 LEU 31 -6.399 6.498 1.361 263 3HD1 LEU 31 3HD1 LEU 31 -7.375 5.490 2.455 264 1HD2 LEU 31 1HD2 LEU 31 -9.208 4.210 1.533 265 2HD2 LEU 31 2HD2 LEU 31 -10.072 5.744 1.790 266 3HD2 LEU 31 3HD2 LEU 31 -10.188 4.909 0.222 267 H ASP 32 H ASP 32 -7.915 9.527 -2.760 268 HA ASP 32 HA ASP 32 -7.817 11.881 -1.370 269 1HB ASP 32 1HB ASP 32 -7.532 10.970 -4.121 270 2HB ASP 32 2HB ASP 32 -8.389 12.499 -4.108 271 HD2 ASP 32 HD2 ASP 32 -5.564 11.041 -2.754 272 H LYS 33 H LYS 33 -10.508 10.112 -2.744 273 HA LYS 33 HA LYS 33 -12.259 12.125 -3.439 274 1HB LYS 33 1HB LYS 33 -12.432 9.271 -2.683 275 2HB LYS 33 2HB LYS 33 -13.905 10.188 -2.441 276 1HG LYS 33 1HG LYS 33 -13.364 11.131 -4.879 277 2HG LYS 33 2HG LYS 33 -12.391 9.680 -5.010 278 1HD LYS 33 1HD LYS 33 -14.228 8.364 -5.269 279 2HD LYS 33 2HD LYS 33 -15.002 9.046 -3.853 280 1HE LYS 33 1HE LYS 33 -15.270 11.150 -5.598 281 2HE LYS 33 2HE LYS 33 -15.293 9.812 -6.731 282 1HZ LYS 33 1HZ LYS 33 -17.405 10.635 -5.367 283 2HZ LYS 33 2HZ LYS 33 -17.248 9.120 -5.955 284 3HZ LYS 33 3HZ LYS 33 -16.901 9.428 -4.389 285 H ARG 34 H ARG 34 -11.261 10.902 -0.242 286 HA ARG 34 HA ARG 34 -13.351 12.158 1.134 287 1HB ARG 34 1HB ARG 34 -10.598 11.485 2.270 288 2HB ARG 34 2HB ARG 34 -12.115 11.563 3.144 289 1HG ARG 34 1HG ARG 34 -12.933 9.659 1.570 290 2HG ARG 34 2HG ARG 34 -11.256 9.480 1.095 291 1HD ARG 34 1HD ARG 34 -11.377 7.948 2.866 292 2HD ARG 34 2HD ARG 34 -10.798 9.373 3.707 293 HE ARG 34 HE ARG 34 -13.679 9.381 3.668 294 1HH1 ARG 34 2HH2 ARG 34 -10.956 7.767 5.205 295 2HH1 ARG 34 1HH2 ARG 34 -11.837 7.370 6.642 296 1HH2 ARG 34 2HH1 ARG 34 -14.843 8.858 5.564 297 2HH2 ARG 34 1HH1 ARG 34 -14.063 7.995 6.847 298 H LYS 35 H LYS 35 -9.777 12.889 1.198 299 HA LYS 35 HA LYS 35 -9.913 15.331 2.378 300 1HB LYS 35 1HB LYS 35 -7.866 13.986 1.826 301 2HB LYS 35 2HB LYS 35 -7.984 14.553 0.173 302 1HG LYS 35 1HG LYS 35 -8.203 16.920 1.649 303 2HG LYS 35 2HG LYS 35 -7.057 15.987 2.590 304 1HD LYS 35 1HD LYS 35 -5.949 15.511 0.206 305 2HD LYS 35 2HD LYS 35 -6.821 16.956 -0.266 306 1HE LYS 35 1HE LYS 35 -5.732 18.242 1.562 307 2HE LYS 35 2HE LYS 35 -4.907 16.797 2.113 308 1HZ LYS 35 1HZ LYS 35 -4.574 18.035 -0.532 309 2HZ LYS 35 2HZ LYS 35 -3.506 18.115 0.701 310 3HZ LYS 35 3HZ LYS 35 -3.809 16.684 -0.025 311 H THR 36 H THR 36 -9.709 14.824 -1.220 312 HA THR 36 HA THR 36 -10.298 17.471 -1.859 313 HB THR 36 HB THR 36 -10.792 14.882 -3.423 314 HG1 THR 36 HG1 THR 36 -8.565 15.630 -4.178 315 1HG2 THR 36 1HG2 THR 36 -11.731 16.613 -4.771 316 2HG2 THR 36 2HG2 THR 36 -10.561 17.820 -4.185 317 3HG2 THR 36 3HG2 THR 36 -10.038 16.551 -5.318 318 H VAL 37 H VAL 37 -12.289 18.174 -3.153 319 HA VAL 37 HA VAL 37 -14.648 17.223 -1.681 320 HB VAL 37 HB VAL 37 -14.009 19.478 -1.080 321 1HG1 VAL 37 1HG1 VAL 37 -12.726 20.210 -2.955 322 2HG1 VAL 37 2HG1 VAL 37 -14.104 20.009 -4.063 323 3HG1 VAL 37 3HG1 VAL 37 -14.130 21.297 -2.836 324 1HG2 VAL 37 1HG2 VAL 37 -16.433 18.835 -1.315 325 2HG2 VAL 37 2HG2 VAL 37 -16.106 20.579 -1.446 326 3HG2 VAL 37 3HG2 VAL 37 -16.423 19.620 -2.912 327 H THR 38 H THR 38 -16.756 17.673 -2.992 328 HA THR 38 HA THR 38 -16.784 16.085 -5.218 329 HB THR 38 HB THR 38 -18.686 18.429 -4.926 330 HG1 THR 38 HG1 THR 38 -18.780 17.819 -2.798 331 1HG2 THR 38 1HG2 THR 38 -19.460 16.792 -6.510 332 2HG2 THR 38 2HG2 THR 38 -18.882 15.440 -5.507 333 3HG2 THR 38 3HG2 THR 38 -20.304 16.382 -4.998 334 H ALA 39 H ALA 39 -17.662 16.934 -7.477 335 HA ALA 39 HA ALA 39 -16.604 19.372 -8.406 336 1HB ALA 39 1HB ALA 39 -14.838 16.980 -8.436 337 2HB ALA 39 2HB ALA 39 -14.948 17.873 -9.971 338 3HB ALA 39 3HB ALA 39 -14.424 18.711 -8.491 339 H LEU 40 H LEU 40 -17.021 19.633 -10.746 340 HA LEU 40 HA LEU 40 -18.931 17.607 -11.688 341 1HB LEU 40 1HB LEU 40 -18.976 20.612 -11.938 342 2HB LEU 40 2HB LEU 40 -19.964 19.558 -12.930 343 HG LEU 40 HG LEU 40 -20.184 19.047 -10.032 344 1HD1 LEU 40 1HD1 LEU 40 -21.214 21.662 -11.166 345 2HD1 LEU 40 2HD1 LEU 40 -21.554 21.004 -9.547 346 3HD1 LEU 40 3HD1 LEU 40 -19.896 21.481 -9.984 347 1HD2 LEU 40 1HD2 LEU 40 -21.729 18.729 -12.436 348 2HD2 LEU 40 2HD2 LEU 40 -21.986 18.025 -10.822 349 3HD2 LEU 40 3HD2 LEU 40 -22.679 19.615 -11.220 350 H LYS 41 H LYS 41 -16.695 16.682 -12.394 351 HA LYS 41 HA LYS 41 -15.146 17.897 -14.306 352 1HB LYS 41 1HB LYS 41 -14.123 15.865 -14.520 353 2HB LYS 41 2HB LYS 41 -14.950 15.618 -12.995 354 1HG LYS 41 1HG LYS 41 -16.805 14.456 -14.129 355 2HG LYS 41 2HG LYS 41 -16.119 14.817 -15.701 356 1HD LYS 41 1HD LYS 41 -15.460 12.565 -15.245 357 2HD LYS 41 2HD LYS 41 -14.021 13.523 -14.957 358 1HE LYS 41 1HE LYS 41 -13.924 12.612 -12.879 359 2HE LYS 41 2HE LYS 41 -15.353 13.538 -12.468 360 1HZ LYS 41 1HZ LYS 41 -15.622 11.163 -12.114 361 2HZ LYS 41 2HZ LYS 41 -16.707 11.728 -13.196 362 3HZ LYS 41 3HZ LYS 41 -15.412 10.875 -13.708 363 H ALA 42 H ALA 42 -15.019 16.788 -16.692 364 HA ALA 42 HA ALA 42 -16.926 17.973 -18.201 365 1HB ALA 42 1HB ALA 42 -15.915 15.397 -19.271 366 2HB ALA 42 2HB ALA 42 -15.772 17.045 -19.928 367 3HB ALA 42 3HB ALA 42 -14.663 16.498 -18.648 368 H GLY 43 H GLY 43 -19.071 17.685 -18.552 369 1HA GLY 43 1HA GLY 43 -20.636 15.878 -17.205 370 2HA GLY 43 2HA GLY 43 -21.086 16.693 -18.690 371 H GLU 44 H GLU 44 -20.557 15.673 -20.789 372 HA GLU 44 HA GLU 44 -20.762 13.944 -22.106 373 1HB GLU 44 1HB GLU 44 -18.403 13.162 -20.372 374 2HB GLU 44 2HB GLU 44 -18.928 12.107 -21.669 375 1HG GLU 44 1HG GLU 44 -18.637 13.911 -23.324 376 2HG GLU 44 2HG GLU 44 -18.267 15.064 -22.057 377 HE2 GLU 44 HE2 GLU 44 -14.966 14.187 -21.947 378 H ASP 45 H ASP 45 -22.920 13.326 -21.434 379 HA ASP 45 HA ASP 45 -24.439 11.918 -20.797 380 1HB ASP 45 1HB ASP 45 -22.034 10.205 -21.063 381 2HB ASP 45 2HB ASP 45 -23.230 9.535 -19.972 382 HD2 ASP 45 HD2 ASP 45 -23.370 10.062 -23.778
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