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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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7679 |
1kuz ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 16.071 -5.394 -3.958 2 2H MET 1 2HT MET 1 14.612 -4.698 -3.461 3 3H MET 1 3HT MET 1 15.440 -5.751 -2.429 4 HA MET 1 HA MET 1 17.105 -3.601 -3.232 5 1HB MET 1 2HB MET 1 14.515 -2.930 -1.833 6 2HB MET 1 1HB MET 1 15.878 -1.834 -2.008 7 1HG MET 1 2HG MET 1 14.217 -2.989 -4.234 8 2HG MET 1 1HG MET 1 14.172 -1.331 -3.638 9 1HE MET 1 1HE MET 1 16.615 -0.522 -2.982 10 2HE MET 1 2HE MET 1 17.040 0.386 -4.433 11 3HE MET 1 3HE MET 1 18.073 -0.935 -3.886 12 H TRP 2 H TRP 2 15.426 -3.177 -0.292 13 HA TRP 2 HA TRP 2 17.575 -4.525 1.191 14 1HB TRP 2 2HB TRP 2 16.267 -2.427 2.651 15 2HB TRP 2 1HB TRP 2 17.967 -2.562 2.218 16 HD1 TRP 2 HD TRP 2 18.805 -1.031 0.256 17 HE1 TRP 2 1HE TRP 2 17.687 0.802 -1.166 18 HE3 TRP 2 3HE TRP 2 13.922 -1.825 1.560 19 HZ2 TRP 2 2HZ TRP 2 15.068 1.766 -1.624 20 HZ3 TRP 2 3HZ TRP 2 12.203 -0.379 0.581 21 HH2 TRP 2 HH TRP 2 12.774 1.372 -0.985 22 H LYS 3 H LYS 3 14.712 -2.949 2.471 23 HA LYS 3 HA LYS 3 13.834 -5.486 3.656 24 1HB LYS 3 2HB LYS 3 12.625 -4.215 5.223 25 2HB LYS 3 1HB LYS 3 14.147 -3.349 5.058 26 1HG LYS 3 2HG LYS 3 11.923 -2.513 3.300 27 2HG LYS 3 1HG LYS 3 11.734 -2.187 5.021 28 1HD LYS 3 2HD LYS 3 13.726 -0.874 5.063 29 2HD LYS 3 1HD LYS 3 14.152 -1.376 3.427 30 1HE LYS 3 2HE LYS 3 12.511 -0.059 2.441 31 2HE LYS 3 1HE LYS 3 11.564 0.022 3.930 32 1HZ LYS 3 1HZ LYS 3 12.583 1.879 4.506 33 2HZ LYS 3 2HZ LYS 3 13.352 1.899 2.999 34 3HZ LYS 3 3HZ LYS 3 14.113 1.179 4.327 35 H VAL 4 H VAL 4 13.189 -3.185 1.307 36 HA VAL 4 HA VAL 4 10.599 -2.977 0.887 37 HB VAL 4 HB VAL 4 12.653 -2.274 -0.571 38 1HG1 VAL 4 1HG1 VAL 4 11.753 -4.857 -1.811 39 2HG1 VAL 4 2HG1 VAL 4 13.394 -4.287 -1.492 40 3HG1 VAL 4 3HG1 VAL 4 12.452 -3.571 -2.800 41 1HG2 VAL 4 1HG2 VAL 4 10.044 -1.833 -0.755 42 2HG2 VAL 4 2HG2 VAL 4 10.260 -2.757 -2.243 43 3HG2 VAL 4 3HG2 VAL 4 11.185 -1.280 -1.979 44 H GLY 5 H GLY 5 12.502 -5.844 0.048 45 1HA GLY 5 2HA GLY 5 10.833 -7.264 -1.493 46 2HA GLY 5 1HA GLY 5 11.767 -8.034 -0.216 47 H PHE 6 H PHE 6 10.465 -6.920 1.990 48 HA PHE 6 HA PHE 6 7.756 -7.952 1.625 49 1HB PHE 6 2HB PHE 6 7.928 -8.628 4.099 50 2HB PHE 6 1HB PHE 6 8.799 -9.614 2.930 51 HD1 PHE 6 1HD PHE 6 9.209 -6.877 5.391 52 HD2 PHE 6 2HD PHE 6 11.108 -9.920 3.104 53 HE1 PHE 6 1HE PHE 6 11.293 -6.516 6.649 54 HE2 PHE 6 2HE PHE 6 13.195 -9.567 4.357 55 HZ PHE 6 HZ PHE 6 13.289 -7.863 6.133 56 H PHE 7 H PHE 7 9.281 -5.217 1.869 57 HA PHE 7 HA PHE 7 7.656 -4.058 4.001 58 1HB PHE 7 2HB PHE 7 10.237 -3.626 3.473 59 2HB PHE 7 1HB PHE 7 9.533 -2.390 2.434 60 HD1 PHE 7 1HD PHE 7 9.792 -0.349 3.400 61 HD2 PHE 7 2HD PHE 7 8.560 -3.617 5.826 62 HE1 PHE 7 1HE PHE 7 9.517 1.180 5.301 63 HE2 PHE 7 2HE PHE 7 8.276 -2.094 7.739 64 HZ PHE 7 HZ PHE 7 8.751 0.311 7.476 65 H LYS 8 H LYS 8 8.286 -3.611 0.540 66 HA LYS 8 HA LYS 8 6.593 -1.426 0.223 67 1HB LYS 8 2HB LYS 8 6.527 -2.087 -2.201 68 2HB LYS 8 1HB LYS 8 8.114 -1.849 -1.485 69 1HG LYS 8 2HG LYS 8 7.464 -3.914 -3.084 70 2HG LYS 8 1HG LYS 8 8.758 -3.931 -1.901 71 1HD LYS 8 2HD LYS 8 7.732 -5.883 -1.358 72 2HD LYS 8 1HD LYS 8 6.826 -4.782 -0.315 73 1HE LYS 8 2HE LYS 8 4.948 -5.364 -1.313 74 2HE LYS 8 1HE LYS 8 5.577 -4.796 -2.860 75 1HZ LYS 8 1HZ LYS 8 5.458 -6.911 -3.496 76 2HZ LYS 8 2HZ LYS 8 5.214 -7.474 -1.920 77 3HZ LYS 8 3HZ LYS 8 6.784 -7.214 -2.491 78 H ARG 9 H ARG 9 5.795 -4.491 1.120 79 HA ARG 9 HA ARG 9 3.033 -4.219 0.156 80 1HB ARG 9 2HB ARG 9 3.542 -6.345 -0.548 81 2HB ARG 9 1HB ARG 9 4.787 -6.563 0.671 82 1HG ARG 9 2HG ARG 9 2.470 -6.498 2.154 83 2HG ARG 9 1HG ARG 9 1.993 -7.357 0.689 84 1HD ARG 9 2HD ARG 9 4.582 -8.159 1.836 85 2HD ARG 9 1HD ARG 9 3.175 -8.516 2.837 86 HE ARG 9 HE ARG 9 2.310 -9.853 1.034 87 1HH1 ARG 9 1HH1 ARG 9 5.618 -8.817 0.694 88 2HH1 ARG 9 2HH1 ARG 9 6.023 -10.051 -0.452 89 1HH2 ARG 9 1HH2 ARG 9 2.832 -11.485 -0.471 90 2HH2 ARG 9 2HH2 ARG 9 4.439 -11.568 -1.115 91 H ASN 10 H ASN 10 5.193 -4.328 2.791 92 HA ASN 10 HA ASN 10 3.136 -4.570 4.831 93 1HB ASN 10 2HB ASN 10 5.129 -5.780 5.302 94 2HB ASN 10 1HB ASN 10 6.147 -4.402 4.881 95 1HD2 ASN 10 1HD2 ASN 10 3.254 -4.517 6.908 96 2HD2 ASN 10 2HD2 ASN 10 4.029 -3.983 8.357 97 H ARG 11 H ARG 11 5.941 -2.475 5.057 98 HA ARG 11 HA ARG 11 6.168 -0.308 5.689 99 1HB ARG 11 2HB ARG 11 5.473 0.074 3.393 100 2HB ARG 11 1HB ARG 11 3.789 0.006 3.877 101 1HG ARG 11 2HG ARG 11 4.973 2.298 3.487 102 2HG ARG 11 1HG ARG 11 3.820 2.102 4.803 103 1HD ARG 11 2HD ARG 11 5.634 3.236 5.760 104 2HD ARG 11 1HD ARG 11 5.846 1.560 6.262 105 HE ARG 11 HE ARG 11 7.462 1.438 4.316 106 1HH1 ARG 11 1HH1 ARG 11 6.825 4.389 6.057 107 2HH1 ARG 11 2HH1 ARG 11 8.387 5.066 5.738 108 1HH2 ARG 11 1HH2 ARG 11 9.526 2.320 3.900 109 2HH2 ARG 11 2HH2 ARG 11 9.921 3.892 4.512 110 1H LYS 12 1HT LYS 12 16.771 4.021 -1.309 111 2H LYS 12 2HT LYS 12 16.633 5.411 -0.355 112 3H LYS 12 3HT LYS 12 15.448 5.056 -1.510 113 HA LYS 12 HA LYS 12 14.984 2.976 -0.271 114 1HB LYS 12 2HB LYS 12 17.184 3.073 0.939 115 2HB LYS 12 1HB LYS 12 16.493 4.346 1.941 116 1HG LYS 12 2HG LYS 12 14.564 2.451 2.114 117 2HG LYS 12 1HG LYS 12 16.018 1.452 1.973 118 1HD LYS 12 2HD LYS 12 15.739 1.776 4.268 119 2HD LYS 12 1HD LYS 12 16.993 2.934 3.819 120 1HE LYS 12 2HE LYS 12 14.413 4.138 3.526 121 2HE LYS 12 1HE LYS 12 14.542 3.417 5.130 122 1HZ LYS 12 1HZ LYS 12 15.399 5.836 4.646 123 2HZ LYS 12 2HZ LYS 12 16.797 5.014 4.167 124 3HZ LYS 12 3HZ LYS 12 16.201 4.823 5.738 125 H LEU 13 H LEU 13 14.301 6.029 -0.648 126 HA LEU 13 HA LEU 13 12.311 5.990 1.504 127 1HB LEU 13 2HB LEU 13 13.326 8.398 -0.009 128 2HB LEU 13 1HB LEU 13 12.183 8.415 1.323 129 HG LEU 13 HG LEU 13 14.081 8.969 2.465 130 1HD1 LEU 13 1HD1 LEU 13 14.312 5.945 2.400 131 2HD1 LEU 13 2HD1 LEU 13 13.280 6.900 3.474 132 3HD1 LEU 13 3HD1 LEU 13 15.034 7.022 3.606 133 1HD2 LEU 13 1HD2 LEU 13 15.865 9.143 1.129 134 2HD2 LEU 13 2HD2 LEU 13 15.408 7.732 0.175 135 3HD2 LEU 13 3HD2 LEU 13 16.266 7.523 1.701 136 H LEU 14 H LEU 14 12.440 4.859 -1.315 137 HA LEU 14 HA LEU 14 10.321 6.175 -2.745 138 1HB LEU 14 2HB LEU 14 10.395 4.029 -4.118 139 2HB LEU 14 1HB LEU 14 11.848 5.010 -4.113 140 HG LEU 14 HG LEU 14 11.922 3.006 -2.008 141 1HD1 LEU 14 1HD1 LEU 14 11.345 1.136 -3.053 142 2HD1 LEU 14 2HD1 LEU 14 12.320 1.554 -4.461 143 3HD1 LEU 14 3HD1 LEU 14 10.657 2.129 -4.338 144 1HD2 LEU 14 1HD2 LEU 14 13.721 3.196 -4.396 145 2HD2 LEU 14 2HD2 LEU 14 14.110 2.727 -2.742 146 3HD2 LEU 14 3HD2 LEU 14 13.771 4.415 -3.122 147 H ILE 15 H ILE 15 10.574 4.181 -0.107 148 HA ILE 15 HA ILE 15 8.107 2.723 -0.424 149 HB ILE 15 HB ILE 15 9.861 2.988 2.024 150 1HG1 ILE 15 2HG1 ILE 15 11.202 2.198 0.180 151 2HG1 ILE 15 1HG1 ILE 15 10.868 0.854 1.270 152 1HG2 ILE 15 1HG2 ILE 15 8.341 0.518 1.460 153 2HG2 ILE 15 2HG2 ILE 15 7.387 1.930 1.928 154 3HG2 ILE 15 3HG2 ILE 15 8.661 1.331 2.994 155 1HD1 ILE 15 1HD1 ILE 15 9.581 -0.233 -0.244 156 2HD1 ILE 15 2HD1 ILE 15 10.647 0.635 -1.351 157 3HD1 ILE 15 3HD1 ILE 15 9.031 1.255 -1.014 158 H THR 16 H THR 16 8.119 5.689 -0.417 159 HA THR 16 HA THR 16 6.287 6.120 1.848 160 HB THR 16 HB THR 16 7.872 8.293 0.483 161 HG1 THR 16 1HG THR 16 8.866 7.886 2.852 162 1HG2 THR 16 1HG2 THR 16 6.234 8.148 2.975 163 2HG2 THR 16 2HG2 THR 16 6.194 9.341 1.676 164 3HG2 THR 16 3HG2 THR 16 7.539 9.324 2.817 165 H ILE 17 H ILE 17 6.922 6.552 -1.560 166 HA ILE 17 HA ILE 17 4.146 7.477 -1.904 167 HB ILE 17 HB ILE 17 6.349 8.911 -2.632 168 1HG1 ILE 17 2HG1 ILE 17 4.048 9.737 -2.486 169 2HG1 ILE 17 1HG1 ILE 17 4.811 10.264 -3.981 170 1HG2 ILE 17 1HG2 ILE 17 5.573 7.211 -4.974 171 2HG2 ILE 17 2HG2 ILE 17 7.182 7.586 -4.353 172 3HG2 ILE 17 3HG2 ILE 17 6.252 8.825 -5.195 173 1HD1 ILE 17 1HD1 ILE 17 3.651 8.169 -4.991 174 2HD1 ILE 17 2HD1 ILE 17 2.721 9.638 -4.695 175 3HD1 ILE 17 3HD1 ILE 17 2.620 8.288 -3.565 176 H HIS 18 H HIS 18 6.751 5.466 -3.184 177 HA HIS 18 HA HIS 18 5.179 4.346 -5.288 178 1HB HIS 18 2HB HIS 18 7.238 3.777 -5.946 179 2HB HIS 18 1HB HIS 18 7.902 4.177 -4.369 180 HD1 HIS 18 1HD HIS 18 7.849 2.149 -2.583 181 HD2 HIS 18 2HD HIS 18 7.245 1.129 -6.565 182 HE1 HIS 18 1HE HIS 18 8.281 -0.326 -2.715 183 HE2 HIS 18 2HE HIS 18 7.953 -0.913 -5.143 184 H ASP 19 H ASP 19 5.555 3.755 -1.927 185 HA ASP 19 HA ASP 19 4.572 1.064 -1.939 186 1HB ASP 19 2HB ASP 19 5.541 2.967 0.025 187 2HB ASP 19 1HB ASP 19 4.094 2.142 0.599 188 H ARG 20 H ARG 20 3.202 4.129 -2.293 189 HA ARG 20 HA ARG 20 0.618 3.543 -1.192 190 1HB ARG 20 2HB ARG 20 1.975 5.829 -2.234 191 2HB ARG 20 1HB ARG 20 0.449 5.649 -3.087 192 1HG ARG 20 2HG ARG 20 -0.283 6.901 -1.354 193 2HG ARG 20 1HG ARG 20 -0.443 5.313 -0.603 194 1HD ARG 20 2HD ARG 20 1.775 5.585 0.414 195 2HD ARG 20 1HD ARG 20 1.905 7.184 -0.317 196 HE ARG 20 HE ARG 20 -0.320 7.494 1.068 197 1HH1 ARG 20 1HH1 ARG 20 2.659 5.944 2.002 198 2HH1 ARG 20 2HH1 ARG 20 2.472 6.312 3.684 199 1HH2 ARG 20 1HH2 ARG 20 -0.573 7.983 3.278 200 2HH2 ARG 20 2HH2 ARG 20 0.634 7.469 4.410 201 H LYS 21 H LYS 21 2.275 2.850 -4.045 202 HA LYS 21 HA LYS 21 -0.207 2.244 -5.495 203 1HB LYS 21 2HB LYS 21 2.143 1.856 -7.100 204 2HB LYS 21 1HB LYS 21 0.811 2.978 -7.346 205 1HG LYS 21 2HG LYS 21 1.897 4.710 -6.268 206 2HG LYS 21 1HG LYS 21 2.978 3.624 -5.392 207 1HD LYS 21 2HD LYS 21 4.428 4.401 -6.975 208 2HD LYS 21 1HD LYS 21 3.764 3.018 -7.847 209 1HE LYS 21 2HE LYS 21 3.826 4.997 -9.269 210 2HE LYS 21 1HE LYS 21 2.164 4.490 -8.967 211 1HZ LYS 21 1HZ LYS 21 3.612 6.789 -7.788 212 2HZ LYS 21 2HZ LYS 21 2.170 6.198 -7.130 213 3HZ LYS 21 3HZ LYS 21 2.190 6.807 -8.707 214 H GLU 22 H GLU 22 2.666 0.913 -4.086 215 HA GLU 22 HA GLU 22 2.520 -1.664 -5.274 216 1HB GLU 22 2HB GLU 22 3.993 -0.385 -3.017 217 2HB GLU 22 1HB GLU 22 3.898 -2.132 -3.042 218 1HG GLU 22 2HG GLU 22 4.708 -0.830 -5.557 219 2HG GLU 22 1HG GLU 22 5.848 -0.732 -4.209 220 H PHE 23 H PHE 23 0.476 -0.086 -3.291 221 HA PHE 23 HA PHE 23 -0.438 -2.517 -1.903 222 1HB PHE 23 2HB PHE 23 0.210 -0.851 -0.310 223 2HB PHE 23 1HB PHE 23 -0.654 0.408 -1.173 224 HD1 PHE 23 1HD PHE 23 -1.359 -2.888 0.439 225 HD2 PHE 23 2HD PHE 23 -2.631 1.109 -0.282 226 HE1 PHE 23 1HE PHE 23 -3.313 -3.253 1.887 227 HE2 PHE 23 2HE PHE 23 -4.588 0.752 1.162 228 HZ PHE 23 HZ PHE 23 -4.931 -1.431 2.253 229 H ALA 24 H ALA 24 -1.184 -0.072 -4.188 230 HA ALA 24 HA ALA 24 -4.048 -0.472 -4.077 231 1HB ALA 24 1HB ALA 24 -3.392 1.739 -4.584 232 2HB ALA 24 2HB ALA 24 -4.012 1.061 -6.091 233 3HB ALA 24 3HB ALA 24 -2.273 1.200 -5.837 234 H LYS 25 H LYS 25 -2.917 -2.871 -4.469 235 HA LYS 25 HA LYS 25 -2.665 -3.627 -7.214 236 1HB LYS 25 2HB LYS 25 -3.141 -5.965 -6.082 237 2HB LYS 25 1HB LYS 25 -1.612 -5.141 -5.805 238 1HG LYS 25 2HG LYS 25 -2.000 -5.321 -3.627 239 2HG LYS 25 1HG LYS 25 -3.321 -4.157 -3.826 240 1HD LYS 25 2HD LYS 25 -4.170 -6.109 -2.707 241 2HD LYS 25 1HD LYS 25 -4.835 -6.062 -4.340 242 1HE LYS 25 2HE LYS 25 -3.009 -7.639 -5.026 243 2HE LYS 25 1HE LYS 25 -2.590 -7.794 -3.320 244 1HZ LYS 25 1HZ LYS 25 -5.102 -8.372 -3.100 245 2HZ LYS 25 2HZ LYS 25 -4.004 -9.554 -3.609 246 3HZ LYS 25 3HZ LYS 25 -4.973 -8.757 -4.743 247 H PHE 26 H PHE 26 -5.061 -4.313 -4.742 248 HA PHE 26 HA PHE 26 -7.187 -4.466 -6.769 249 1HB PHE 26 2HB PHE 26 -7.118 -6.597 -5.787 250 2HB PHE 26 1HB PHE 26 -6.659 -5.945 -4.219 251 HD1 PHE 26 1HD PHE 26 -9.507 -6.112 -6.600 252 HD2 PHE 26 2HD PHE 26 -8.243 -5.670 -2.561 253 HE1 PHE 26 1HE PHE 26 -11.849 -6.258 -5.857 254 HE2 PHE 26 2HE PHE 26 -10.584 -5.816 -1.809 255 HZ PHE 26 HZ PHE 26 -12.389 -6.111 -3.458 256 H GLU 27 H GLU 27 -5.783 -2.862 -4.240 257 HA GLU 27 HA GLU 27 -7.959 -1.711 -2.885 258 1HB GLU 27 2HB GLU 27 -5.043 -1.269 -3.124 259 2HB GLU 27 1HB GLU 27 -5.982 0.097 -2.569 260 1HG GLU 27 2HG GLU 27 -5.539 -2.547 -1.282 261 2HG GLU 27 1HG GLU 27 -5.387 -0.925 -0.600 262 H GLU 28 H GLU 28 -6.443 -1.059 -5.927 263 HA GLU 28 HA GLU 28 -7.496 1.612 -6.197 264 1HB GLU 28 2HB GLU 28 -6.636 1.497 -8.485 265 2HB GLU 28 1HB GLU 28 -5.414 0.970 -7.336 266 1HG GLU 28 2HG GLU 28 -5.977 -1.372 -7.860 267 2HG GLU 28 1HG GLU 28 -7.128 -0.799 -9.065 268 H GLU 29 H GLU 29 -8.826 -1.369 -6.209 269 HA GLU 29 HA GLU 29 -11.021 -0.569 -8.003 270 1HB GLU 29 2HB GLU 29 -10.456 -3.441 -7.359 271 2HB GLU 29 1HB GLU 29 -11.276 -2.757 -8.758 272 1HG GLU 29 2HG GLU 29 -8.436 -2.041 -8.444 273 2HG GLU 29 1HG GLU 29 -8.779 -3.732 -8.812 274 H ARG 30 H ARG 30 -10.052 -1.186 -4.879 275 HA ARG 30 HA ARG 30 -12.726 -1.989 -3.980 276 1HB ARG 30 2HB ARG 30 -11.033 -3.485 -3.224 277 2HB ARG 30 1HB ARG 30 -9.996 -2.165 -2.710 278 1HG ARG 30 2HG ARG 30 -12.653 -2.353 -1.425 279 2HG ARG 30 1HG ARG 30 -11.472 -3.604 -1.034 280 1HD ARG 30 2HD ARG 30 -9.857 -1.605 -0.669 281 2HD ARG 30 1HD ARG 30 -11.340 -0.658 -0.539 282 HE ARG 30 HE ARG 30 -10.535 -2.842 1.261 283 1HH1 ARG 30 1HH1 ARG 30 -12.515 -0.065 0.539 284 2HH1 ARG 30 2HH1 ARG 30 -13.177 0.038 2.136 285 1HH2 ARG 30 1HH2 ARG 30 -11.402 -2.711 3.366 286 2HH2 ARG 30 2HH2 ARG 30 -12.545 -1.466 3.742 287 H ALA 31 H ALA 31 -10.093 0.264 -3.138 288 HA ALA 31 HA ALA 31 -12.031 1.905 -1.666 289 1HB ALA 31 1HB ALA 31 -9.040 2.185 -1.610 290 2HB ALA 31 2HB ALA 31 -9.927 1.105 -0.534 291 3HB ALA 31 3HB ALA 31 -10.216 2.844 -0.473 292 H ARG 32 H ARG 32 -11.146 1.733 -4.685 293 HA ARG 32 HA ARG 32 -10.801 4.636 -5.046 294 1HB ARG 32 2HB ARG 32 -9.290 2.563 -6.103 295 2HB ARG 32 1HB ARG 32 -10.372 2.999 -7.419 296 1HG ARG 32 2HG ARG 32 -8.238 4.205 -7.513 297 2HG ARG 32 1HG ARG 32 -9.617 5.290 -7.341 298 1HD ARG 32 2HD ARG 32 -9.016 4.922 -4.751 299 2HD ARG 32 1HD ARG 32 -7.414 4.699 -5.459 300 HE ARG 32 HE ARG 32 -8.935 7.151 -5.321 301 1HH1 ARG 32 1HH1 ARG 32 -6.288 5.455 -6.825 302 2HH1 ARG 32 2HH1 ARG 32 -5.492 6.900 -7.350 303 1HH2 ARG 32 1HH2 ARG 32 -7.898 9.057 -6.015 304 2HH2 ARG 32 2HH2 ARG 32 -6.405 8.948 -6.888 305 H ALA 33 H ALA 33 -12.246 1.845 -6.734 306 HA ALA 33 HA ALA 33 -13.978 3.215 -8.366 307 1HB ALA 33 1HB ALA 33 -13.662 0.519 -7.482 308 2HB ALA 33 2HB ALA 33 -14.416 1.121 -8.959 309 3HB ALA 33 3HB ALA 33 -15.379 0.923 -7.495 310 H LYS 34 H LYS 34 -14.112 2.909 -4.946 311 HA LYS 34 HA LYS 34 -16.834 3.205 -4.431 312 1HB LYS 34 2HB LYS 34 -16.002 4.483 -2.358 313 2HB LYS 34 1HB LYS 34 -15.498 2.808 -2.537 314 1HG LYS 34 2HG LYS 34 -13.321 3.480 -3.269 315 2HG LYS 34 1HG LYS 34 -13.824 5.165 -3.369 316 1HD LYS 34 2HD LYS 34 -12.477 4.666 -1.356 317 2HD LYS 34 1HD LYS 34 -14.086 5.284 -0.978 318 1HE LYS 34 2HE LYS 34 -14.863 3.132 -0.363 319 2HE LYS 34 1HE LYS 34 -13.445 2.346 -1.055 320 1HZ LYS 34 1HZ LYS 34 -12.564 2.433 0.963 321 2HZ LYS 34 2HZ LYS 34 -13.809 3.414 1.553 322 3HZ LYS 34 3HZ LYS 34 -12.464 4.116 0.806 323 H TRP 35 H TRP 35 -14.348 5.713 -4.621 324 HA TRP 35 HA TRP 35 -16.393 7.747 -5.060 325 1HB TRP 35 2HB TRP 35 -14.433 9.307 -4.799 326 2HB TRP 35 1HB TRP 35 -14.802 8.350 -3.373 327 HD1 TRP 35 HD TRP 35 -12.637 7.532 -6.481 328 HE1 TRP 35 1HE TRP 35 -10.334 6.839 -5.663 329 HE3 TRP 35 3HE TRP 35 -13.328 8.142 -1.457 330 HZ2 TRP 35 2HZ TRP 35 -8.940 6.559 -3.213 331 HZ3 TRP 35 3HZ TRP 35 -11.461 7.627 0.057 332 HH2 TRP 35 HH TRP 35 -9.311 6.854 -0.801 333 H ASP 36 H ASP 36 -14.593 5.660 -6.781 334 HA ASP 36 HA ASP 36 -14.318 7.464 -9.095 335 1HB ASP 36 2HB ASP 36 -12.474 5.631 -7.874 336 2HB ASP 36 1HB ASP 36 -12.833 5.080 -9.513 Start of MODEL 2 1 1H MET 1 1HT MET 1 14.306 -6.306 -2.724 2 2H MET 1 2HT MET 1 14.955 -6.064 -4.267 3 3H MET 1 3HT MET 1 13.734 -5.044 -3.695 4 HA MET 1 HA MET 1 16.437 -4.620 -3.534 5 1HB MET 1 2HB MET 1 14.224 -3.321 -1.940 6 2HB MET 1 1HB MET 1 15.772 -2.604 -2.355 7 1HG MET 1 2HG MET 1 13.755 -3.468 -4.406 8 2HG MET 1 1HG MET 1 13.806 -1.850 -3.715 9 1HE MET 1 1HE MET 1 16.683 -1.507 -3.163 10 2HE MET 1 2HE MET 1 16.234 -0.151 -4.199 11 3HE MET 1 3HE MET 1 17.659 -1.117 -4.581 12 H TRP 2 H TRP 2 14.916 -3.927 -0.534 13 HA TRP 2 HA TRP 2 16.760 -5.744 0.854 14 1HB TRP 2 2HB TRP 2 15.926 -3.481 2.410 15 2HB TRP 2 1HB TRP 2 17.555 -3.944 1.941 16 HD1 TRP 2 HD TRP 2 18.676 -2.542 0.054 17 HE1 TRP 2 1HE TRP 2 17.962 -0.473 -1.300 18 HE3 TRP 2 3HE TRP 2 13.708 -2.365 1.325 19 HZ2 TRP 2 2HZ TRP 2 15.608 1.009 -1.729 20 HZ3 TRP 2 3HZ TRP 2 12.333 -0.559 0.382 21 HH2 TRP 2 HH TRP 2 13.278 1.076 -1.120 22 H LYS 3 H LYS 3 14.333 -3.680 2.296 23 HA LYS 3 HA LYS 3 13.008 -5.993 3.484 24 1HB LYS 3 2HB LYS 3 11.938 -4.407 4.949 25 2HB LYS 3 1HB LYS 3 13.652 -4.009 4.899 26 1HG LYS 3 2HG LYS 3 11.936 -2.612 2.949 27 2HG LYS 3 1HG LYS 3 11.660 -2.215 4.644 28 1HD LYS 3 2HD LYS 3 13.986 -1.594 4.913 29 2HD LYS 3 1HD LYS 3 14.337 -2.107 3.263 30 1HE LYS 3 2HE LYS 3 14.126 0.302 3.372 31 2HE LYS 3 1HE LYS 3 12.838 -0.403 2.387 32 1HZ LYS 3 1HZ LYS 3 11.447 0.748 3.664 33 2HZ LYS 3 2HZ LYS 3 12.657 1.159 4.772 34 3HZ LYS 3 3HZ LYS 3 11.822 -0.303 4.936 35 H VAL 4 H VAL 4 12.751 -3.619 1.135 36 HA VAL 4 HA VAL 4 10.243 -3.004 0.637 37 HB VAL 4 HB VAL 4 12.403 -2.598 -0.737 38 1HG1 VAL 4 1HG1 VAL 4 12.936 -4.737 -1.549 39 2HG1 VAL 4 2HG1 VAL 4 12.213 -3.922 -2.937 40 3HG1 VAL 4 3HG1 VAL 4 11.263 -5.080 -2.000 41 1HG2 VAL 4 1HG2 VAL 4 10.059 -1.673 -1.078 42 2HG2 VAL 4 2HG2 VAL 4 9.892 -2.888 -2.344 43 3HG2 VAL 4 3HG2 VAL 4 11.147 -1.658 -2.464 44 H GLY 5 H GLY 5 11.680 -6.158 -0.170 45 1HA GLY 5 2HA GLY 5 9.891 -7.295 -1.779 46 2HA GLY 5 1HA GLY 5 10.562 -8.195 -0.425 47 H PHE 6 H PHE 6 9.343 -7.098 1.706 48 HA PHE 6 HA PHE 6 6.500 -7.378 1.071 49 1HB PHE 6 2HB PHE 6 6.123 -8.560 3.141 50 2HB PHE 6 1HB PHE 6 7.418 -9.375 2.271 51 HD1 PHE 6 1HD PHE 6 9.811 -7.986 2.910 52 HD2 PHE 6 2HD PHE 6 6.435 -8.719 5.395 53 HE1 PHE 6 1HE PHE 6 11.244 -7.808 4.901 54 HE2 PHE 6 2HE PHE 6 7.862 -8.543 7.392 55 HZ PHE 6 HZ PHE 6 10.270 -8.086 7.146 56 H PHE 7 H PHE 7 8.537 -5.105 1.585 57 HA PHE 7 HA PHE 7 7.203 -3.829 3.830 58 1HB PHE 7 2HB PHE 7 9.779 -3.900 3.391 59 2HB PHE 7 1HB PHE 7 9.413 -2.543 2.328 60 HD1 PHE 7 1HD PHE 7 9.707 -0.481 3.206 61 HD2 PHE 7 2HD PHE 7 8.456 -3.630 5.773 62 HE1 PHE 7 1HE PHE 7 9.684 1.083 5.102 63 HE2 PHE 7 2HE PHE 7 8.425 -2.072 7.678 64 HZ PHE 7 HZ PHE 7 9.036 0.291 7.339 65 H LYS 8 H LYS 8 7.621 -3.484 0.414 66 HA LYS 8 HA LYS 8 6.590 -0.864 0.283 67 1HB LYS 8 2HB LYS 8 6.520 -1.282 -2.153 68 2HB LYS 8 1HB LYS 8 8.053 -1.598 -1.353 69 1HG LYS 8 2HG LYS 8 6.630 -3.294 -3.096 70 2HG LYS 8 1HG LYS 8 8.136 -3.593 -2.251 71 1HD LYS 8 2HD LYS 8 7.196 -5.189 -1.072 72 2HD LYS 8 1HD LYS 8 6.019 -4.042 -0.424 73 1HE LYS 8 2HE LYS 8 5.785 -5.618 -2.976 74 2HE LYS 8 1HE LYS 8 4.919 -5.907 -1.468 75 1HZ LYS 8 1HZ LYS 8 4.372 -3.307 -2.034 76 2HZ LYS 8 2HZ LYS 8 3.343 -4.615 -2.333 77 3HZ LYS 8 3HZ LYS 8 4.351 -4.035 -3.562 78 H ARG 9 H ARG 9 5.123 -3.742 0.881 79 HA ARG 9 HA ARG 9 2.496 -2.778 -0.028 80 1HB ARG 9 2HB ARG 9 1.757 -5.022 -0.107 81 2HB ARG 9 1HB ARG 9 3.385 -5.093 -0.768 82 1HG ARG 9 2HG ARG 9 4.185 -5.720 1.524 83 2HG ARG 9 1HG ARG 9 2.492 -5.874 1.993 84 1HD ARG 9 2HD ARG 9 3.921 -7.433 -0.154 85 2HD ARG 9 1HD ARG 9 3.386 -8.038 1.414 86 HE ARG 9 HE ARG 9 1.461 -7.042 -0.579 87 1HH1 ARG 9 1HH1 ARG 9 2.618 -9.538 1.562 88 2HH1 ARG 9 2HH1 ARG 9 1.229 -10.549 1.340 89 1HH2 ARG 9 1HH2 ARG 9 -0.367 -8.369 -0.878 90 2HH2 ARG 9 2HH2 ARG 9 -0.467 -9.886 -0.047 91 H ASN 10 H ASN 10 4.606 -2.876 2.363 92 HA ASN 10 HA ASN 10 2.715 -3.198 4.573 93 1HB ASN 10 2HB ASN 10 4.515 -4.724 4.740 94 2HB ASN 10 1HB ASN 10 5.689 -3.487 4.266 95 1HD2 ASN 10 1HD2 ASN 10 6.845 -4.197 6.166 96 2HD2 ASN 10 2HD2 ASN 10 6.414 -3.579 7.720 97 H ARG 11 H ARG 11 5.812 -1.571 4.643 98 HA ARG 11 HA ARG 11 6.440 0.543 5.161 99 1HB ARG 11 2HB ARG 11 4.777 0.979 3.242 100 2HB ARG 11 1HB ARG 11 3.693 1.516 4.508 101 1HG ARG 11 2HG ARG 11 5.828 2.921 3.210 102 2HG ARG 11 1HG ARG 11 4.601 3.536 4.314 103 1HD ARG 11 2HD ARG 11 6.461 4.042 5.521 104 2HD ARG 11 1HD ARG 11 6.205 2.401 6.106 105 HE ARG 11 HE ARG 11 7.882 1.727 4.375 106 1HH1 ARG 11 1HH1 ARG 11 7.838 4.964 5.669 107 2HH1 ARG 11 2HH1 ARG 11 9.520 5.245 5.370 108 1HH2 ARG 11 1HH2 ARG 11 10.097 2.088 3.975 109 2HH2 ARG 11 2HH2 ARG 11 10.805 3.611 4.405 110 1H LYS 12 1HT LYS 12 16.278 3.281 -2.182 111 2H LYS 12 2HT LYS 12 17.030 4.326 -1.085 112 3H LYS 12 3HT LYS 12 15.540 4.747 -1.767 113 HA LYS 12 HA LYS 12 14.951 2.393 -0.675 114 1HB LYS 12 2HB LYS 12 17.213 2.315 0.326 115 2HB LYS 12 1HB LYS 12 16.826 3.770 1.238 116 1HG LYS 12 2HG LYS 12 14.717 2.042 1.769 117 2HG LYS 12 1HG LYS 12 16.157 1.016 1.793 118 1HD LYS 12 2HD LYS 12 17.153 2.938 3.233 119 2HD LYS 12 1HD LYS 12 15.466 3.361 3.511 120 1HE LYS 12 2HE LYS 12 15.271 0.786 4.037 121 2HE LYS 12 1HE LYS 12 16.996 0.954 4.368 122 1HZ LYS 12 1HZ LYS 12 15.964 3.052 5.687 123 2HZ LYS 12 2HZ LYS 12 16.292 1.550 6.393 124 3HZ LYS 12 3HZ LYS 12 14.724 1.915 5.871 125 H LEU 13 H LEU 13 14.997 5.777 -0.570 126 HA LEU 13 HA LEU 13 12.931 5.807 1.482 127 1HB LEU 13 2HB LEU 13 14.169 8.123 -0.008 128 2HB LEU 13 1HB LEU 13 13.110 8.234 1.387 129 HG LEU 13 HG LEU 13 15.108 8.497 2.453 130 1HD1 LEU 13 1HD1 LEU 13 15.018 5.477 2.214 131 2HD1 LEU 13 2HD1 LEU 13 14.146 6.463 3.396 132 3HD1 LEU 13 3HD1 LEU 13 15.908 6.402 3.433 133 1HD2 LEU 13 1HD2 LEU 13 16.936 6.674 1.260 134 2HD2 LEU 13 2HD2 LEU 13 16.986 8.437 1.280 135 3HD2 LEU 13 3HD2 LEU 13 16.144 7.594 -0.019 136 H LEU 14 H LEU 14 12.895 4.820 -1.411 137 HA LEU 14 HA LEU 14 10.842 6.379 -2.687 138 1HB LEU 14 2HB LEU 14 10.772 4.439 -4.267 139 2HB LEU 14 1HB LEU 14 12.355 5.174 -4.102 140 HG LEU 14 HG LEU 14 12.239 3.067 -2.201 141 1HD1 LEU 14 1HD1 LEU 14 11.557 1.178 -3.351 142 2HD1 LEU 14 2HD1 LEU 14 11.605 1.985 -4.918 143 3HD1 LEU 14 3HD1 LEU 14 10.316 2.358 -3.773 144 1HD2 LEU 14 1HD2 LEU 14 14.118 2.247 -3.400 145 2HD2 LEU 14 2HD2 LEU 14 14.187 4.008 -3.490 146 3HD2 LEU 14 3HD2 LEU 14 13.624 3.076 -4.877 147 H ILE 15 H ILE 15 11.036 4.150 -0.222 148 HA ILE 15 HA ILE 15 8.417 2.971 -0.580 149 HB ILE 15 HB ILE 15 10.406 2.684 1.686 150 1HG1 ILE 15 2HG1 ILE 15 11.286 1.938 -0.485 151 2HG1 ILE 15 1HG1 ILE 15 11.034 0.585 0.614 152 1HG2 ILE 15 1HG2 ILE 15 8.440 0.559 1.106 153 2HG2 ILE 15 2HG2 ILE 15 7.788 2.039 1.813 154 3HG2 ILE 15 3HG2 ILE 15 9.056 1.144 2.653 155 1HD1 ILE 15 1HD1 ILE 15 9.137 -0.143 -0.552 156 2HD1 ILE 15 2HD1 ILE 15 10.331 0.256 -1.789 157 3HD1 ILE 15 3HD1 ILE 15 9.008 1.371 -1.447 158 H THR 16 H THR 16 8.485 5.799 -0.345 159 HA THR 16 HA THR 16 7.087 6.169 2.220 160 HB THR 16 HB THR 16 9.334 7.447 1.713 161 HG1 THR 16 1HG THR 16 8.293 7.970 3.540 162 1HG2 THR 16 1HG2 THR 16 7.316 9.083 0.209 163 2HG2 THR 16 2HG2 THR 16 8.871 8.475 -0.360 164 3HG2 THR 16 3HG2 THR 16 8.815 9.748 0.861 165 H ILE 17 H ILE 17 7.174 6.868 -1.220 166 HA ILE 17 HA ILE 17 4.358 7.711 -1.056 167 HB ILE 17 HB ILE 17 6.343 9.324 -1.928 168 1HG1 ILE 17 2HG1 ILE 17 3.984 9.926 -1.498 169 2HG1 ILE 17 1HG1 ILE 17 4.609 10.679 -2.960 170 1HG2 ILE 17 1HG2 ILE 17 5.389 7.811 -4.340 171 2HG2 ILE 17 2HG2 ILE 17 7.048 8.097 -3.811 172 3HG2 ILE 17 3HG2 ILE 17 6.080 9.431 -4.442 173 1HD1 ILE 17 1HD1 ILE 17 3.428 8.215 -3.698 174 2HD1 ILE 17 2HD1 ILE 17 2.907 9.851 -4.096 175 3HD1 ILE 17 3HD1 ILE 17 2.305 9.064 -2.637 176 H HIS 18 H HIS 18 6.786 5.907 -2.872 177 HA HIS 18 HA HIS 18 5.000 4.953 -4.866 178 1HB HIS 18 2HB HIS 18 6.993 4.459 -5.758 179 2HB HIS 18 1HB HIS 18 7.798 4.673 -4.210 180 HD1 HIS 18 1HD HIS 18 7.557 2.413 -2.603 181 HD2 HIS 18 2HD HIS 18 7.177 1.948 -6.713 182 HE1 HIS 18 1HE HIS 18 7.993 -0.026 -3.047 183 HE2 HIS 18 2HE HIS 18 7.780 -0.278 -5.544 184 H ASP 19 H ASP 19 5.583 4.132 -1.613 185 HA ASP 19 HA ASP 19 4.719 1.417 -1.678 186 1HB ASP 19 2HB ASP 19 6.080 2.634 0.144 187 2HB ASP 19 1HB ASP 19 4.529 3.240 0.713 188 H ARG 20 H ARG 20 3.161 4.481 -1.667 189 HA ARG 20 HA ARG 20 0.641 3.634 -0.644 190 1HB ARG 20 2HB ARG 20 1.753 6.075 -1.859 191 2HB ARG 20 1HB ARG 20 0.015 5.864 -1.998 192 1HG ARG 20 2HG ARG 20 0.081 6.983 -0.029 193 2HG ARG 20 1HG ARG 20 0.259 5.341 0.590 194 1HD ARG 20 2HD ARG 20 2.794 5.763 0.323 195 2HD ARG 20 1HD ARG 20 2.344 7.466 0.242 196 HE ARG 20 HE ARG 20 2.073 7.422 2.499 197 1HH1 ARG 20 1HH1 ARG 20 1.732 4.166 1.301 198 2HH1 ARG 20 2HH1 ARG 20 1.560 3.469 2.877 199 1HH2 ARG 20 1HH2 ARG 20 1.853 6.508 4.574 200 2HH2 ARG 20 2HH2 ARG 20 1.629 4.798 4.735 201 H LYS 21 H LYS 21 2.184 2.884 -3.450 202 HA LYS 21 HA LYS 21 -0.353 2.526 -4.906 203 1HB LYS 21 2HB LYS 21 1.876 2.307 -6.673 204 2HB LYS 21 1HB LYS 21 0.571 3.486 -6.697 205 1HG LYS 21 2HG LYS 21 1.784 5.044 -5.486 206 2HG LYS 21 1HG LYS 21 2.901 3.833 -4.855 207 1HD LYS 21 2HD LYS 21 4.236 4.777 -6.451 208 2HD LYS 21 1HD LYS 21 3.457 3.529 -7.425 209 1HE LYS 21 2HE LYS 21 3.115 5.321 -8.790 210 2HE LYS 21 1HE LYS 21 1.674 5.459 -7.783 211 1HZ LYS 21 1HZ LYS 21 2.357 7.414 -7.029 212 2HZ LYS 21 2HZ LYS 21 3.599 7.380 -8.175 213 3HZ LYS 21 3HZ LYS 21 3.881 6.812 -6.607 214 H GLU 22 H GLU 22 2.743 1.137 -4.021 215 HA GLU 22 HA GLU 22 2.556 -1.272 -5.424 216 1HB GLU 22 2HB GLU 22 4.121 -0.186 -3.176 217 2HB GLU 22 1HB GLU 22 3.994 -1.935 -3.223 218 1HG GLU 22 2HG GLU 22 4.694 -0.565 -5.746 219 2HG GLU 22 1HG GLU 22 5.914 -0.590 -4.467 220 H PHE 23 H PHE 23 0.764 -0.115 -2.794 221 HA PHE 23 HA PHE 23 0.049 -2.788 -1.854 222 1HB PHE 23 2HB PHE 23 0.527 -1.044 -0.174 223 2HB PHE 23 1HB PHE 23 -0.796 -0.074 -0.811 224 HD1 PHE 23 1HD PHE 23 -0.190 -3.529 0.463 225 HD2 PHE 23 2HD PHE 23 -2.799 -0.173 0.296 226 HE1 PHE 23 1HE PHE 23 -1.745 -4.667 1.993 227 HE2 PHE 23 2HE PHE 23 -4.359 -1.303 1.826 228 HZ PHE 23 HZ PHE 23 -3.832 -3.554 2.678 229 H ALA 24 H ALA 24 -1.474 0.125 -3.220 230 HA ALA 24 HA ALA 24 -4.010 -1.256 -3.507 231 1HB ALA 24 1HB ALA 24 -4.636 0.874 -3.185 232 2HB ALA 24 2HB ALA 24 -4.286 1.083 -4.900 233 3HB ALA 24 3HB ALA 24 -3.072 1.511 -3.694 234 H LYS 25 H LYS 25 -2.007 -2.559 -4.833 235 HA LYS 25 HA LYS 25 -1.900 -1.929 -7.618 236 1HB LYS 25 2HB LYS 25 -1.169 -4.464 -7.627 237 2HB LYS 25 1HB LYS 25 -0.107 -3.237 -6.948 238 1HG LYS 25 2HG LYS 25 -0.074 -4.362 -5.038 239 2HG LYS 25 1HG LYS 25 -1.813 -4.067 -4.856 240 1HD LYS 25 2HD LYS 25 -1.539 -6.408 -4.726 241 2HD LYS 25 1HD LYS 25 -2.156 -6.094 -6.349 242 1HE LYS 25 2HE LYS 25 0.190 -6.181 -7.183 243 2HE LYS 25 1HE LYS 25 0.700 -6.666 -5.566 244 1HZ LYS 25 1HZ LYS 25 -0.713 -8.192 -7.602 245 2HZ LYS 25 2HZ LYS 25 -1.197 -8.455 -6.003 246 3HZ LYS 25 3HZ LYS 25 0.415 -8.708 -6.451 247 H PHE 26 H PHE 26 -3.366 -4.558 -5.813 248 HA PHE 26 HA PHE 26 -5.522 -4.801 -7.802 249 1HB PHE 26 2HB PHE 26 -4.386 -6.849 -7.880 250 2HB PHE 26 1HB PHE 26 -3.976 -6.773 -6.170 251 HD1 PHE 26 1HD PHE 26 -5.134 -8.058 -4.668 252 HD2 PHE 26 2HD PHE 26 -6.914 -7.162 -8.425 253 HE1 PHE 26 1HE PHE 26 -7.002 -9.567 -4.136 254 HE2 PHE 26 2HE PHE 26 -8.789 -8.668 -7.903 255 HZ PHE 26 HZ PHE 26 -8.835 -9.874 -5.755 256 H GLU 27 H GLU 27 -4.553 -3.978 -4.737 257 HA GLU 27 HA GLU 27 -6.698 -4.679 -3.092 258 1HB GLU 27 2HB GLU 27 -4.457 -2.737 -3.045 259 2HB GLU 27 1HB GLU 27 -5.781 -2.422 -1.947 260 1HG GLU 27 2HG GLU 27 -3.885 -4.720 -2.012 261 2HG GLU 27 1HG GLU 27 -4.314 -3.662 -0.666 262 H GLU 28 H GLU 28 -6.426 -2.344 -5.590 263 HA GLU 28 HA GLU 28 -8.532 -0.615 -4.653 264 1HB GLU 28 2HB GLU 28 -8.314 0.504 -6.794 265 2HB GLU 28 1HB GLU 28 -6.715 0.207 -6.127 266 1HG GLU 28 2HG GLU 28 -6.497 -1.759 -7.594 267 2HG GLU 28 1HG GLU 28 -8.070 -1.381 -8.295 268 H GLU 29 H GLU 29 -8.478 -3.672 -5.772 269 HA GLU 29 HA GLU 29 -11.166 -3.481 -6.963 270 1HB GLU 29 2HB GLU 29 -9.243 -5.737 -7.492 271 2HB GLU 29 1HB GLU 29 -10.672 -5.280 -8.411 272 1HG GLU 29 2HG GLU 29 -8.458 -3.318 -8.217 273 2HG GLU 29 1HG GLU 29 -8.226 -4.735 -9.241 274 H ARG 30 H ARG 30 -9.095 -4.896 -4.613 275 HA ARG 30 HA ARG 30 -11.147 -6.816 -3.781 276 1HB ARG 30 2HB ARG 30 -9.190 -8.011 -3.857 277 2HB ARG 30 1HB ARG 30 -8.197 -6.621 -3.439 278 1HG ARG 30 2HG ARG 30 -8.025 -7.934 -1.556 279 2HG ARG 30 1HG ARG 30 -9.330 -6.828 -1.124 280 1HD ARG 30 2HD ARG 30 -10.448 -9.074 -2.469 281 2HD ARG 30 1HD ARG 30 -9.377 -9.656 -1.194 282 HE ARG 30 HE ARG 30 -11.860 -8.207 -0.865 283 1HH1 ARG 30 1HH1 ARG 30 -8.897 -9.288 0.616 284 2HH1 ARG 30 2HH1 ARG 30 -9.504 -9.147 2.231 285 1HH2 ARG 30 1HH2 ARG 30 -12.663 -8.012 1.258 286 2HH2 ARG 30 2HH2 ARG 30 -11.643 -8.422 2.596 287 H ALA 31 H ALA 31 -8.939 -4.431 -2.317 288 HA ALA 31 HA ALA 31 -10.435 -4.350 0.127 289 1HB ALA 31 1HB ALA 31 -8.168 -2.657 -0.907 290 2HB ALA 31 2HB ALA 31 -8.082 -3.967 0.271 291 3HB ALA 31 3HB ALA 31 -8.896 -2.459 0.688 292 H ARG 32 H ARG 32 -11.169 -3.233 -2.825 293 HA ARG 32 HA ARG 32 -12.432 -0.765 -1.840 294 1HB ARG 32 2HB ARG 32 -10.935 -1.202 -4.131 295 2HB ARG 32 1HB ARG 32 -12.594 -1.240 -4.713 296 1HG ARG 32 2HG ARG 32 -11.555 0.996 -4.829 297 2HG ARG 32 1HG ARG 32 -13.015 0.954 -3.840 298 1HD ARG 32 2HD ARG 32 -11.197 0.482 -1.935 299 2HD ARG 32 1HD ARG 32 -10.193 1.403 -3.055 300 HE ARG 32 HE ARG 32 -12.770 2.466 -2.122 301 1HH1 ARG 32 1HH1 ARG 32 -9.310 2.735 -2.457 302 2HH1 ARG 32 2HH1 ARG 32 -9.258 4.376 -1.906 303 1HH2 ARG 32 1HH2 ARG 32 -12.711 4.618 -1.398 304 2HH2 ARG 32 2HH2 ARG 32 -11.193 5.449 -1.302 305 H ALA 33 H ALA 33 -13.157 -3.345 -4.200 306 HA ALA 33 HA ALA 33 -15.868 -2.969 -4.365 307 1HB ALA 33 1HB ALA 33 -14.090 -4.843 -5.314 308 2HB ALA 33 2HB ALA 33 -15.824 -4.806 -5.633 309 3HB ALA 33 3HB ALA 33 -15.190 -5.801 -4.322 310 H LYS 34 H LYS 34 -14.094 -4.168 -1.661 311 HA LYS 34 HA LYS 34 -16.024 -5.719 -0.373 312 1HB LYS 34 2HB LYS 34 -14.910 -4.819 1.766 313 2HB LYS 34 1HB LYS 34 -13.912 -5.743 0.651 314 1HG LYS 34 2HG LYS 34 -12.916 -3.716 -0.193 315 2HG LYS 34 1HG LYS 34 -14.022 -2.736 0.770 316 1HD LYS 34 2HD LYS 34 -11.732 -2.956 1.741 317 2HD LYS 34 1HD LYS 34 -13.029 -3.489 2.812 318 1HE LYS 34 2HE LYS 34 -12.272 -5.596 2.856 319 2HE LYS 34 1HE LYS 34 -11.976 -5.620 1.119 320 1HZ LYS 34 1HZ LYS 34 -10.064 -5.616 3.017 321 2HZ LYS 34 2HZ LYS 34 -10.131 -3.978 2.599 322 3HZ LYS 34 3HZ LYS 34 -9.829 -5.141 1.409 323 H TRP 35 H TRP 35 -15.302 -2.287 0.071 324 HA TRP 35 HA TRP 35 -17.922 -1.867 1.278 325 1HB TRP 35 2HB TRP 35 -16.992 0.419 1.744 326 2HB TRP 35 1HB TRP 35 -16.118 -0.892 2.520 327 HD1 TRP 35 HD TRP 35 -15.765 0.626 -1.029 328 HE1 TRP 35 1HE TRP 35 -13.339 1.312 -1.338 329 HE3 TRP 35 3HE TRP 35 -13.957 -0.656 3.570 330 HZ2 TRP 35 2HZ TRP 35 -10.926 1.323 0.143 331 HZ3 TRP 35 3HZ TRP 35 -11.574 -0.290 4.038 332 HH2 TRP 35 HH TRP 35 -10.087 0.683 2.363 333 H ASP 36 H ASP 36 -16.590 -1.932 -1.680 334 HA ASP 36 HA ASP 36 -18.324 0.205 -2.738 335 1HB ASP 36 2HB ASP 36 -15.550 -0.377 -3.179 336 2HB ASP 36 1HB ASP 36 -16.428 -0.597 -4.696 Start of MODEL 3 1 1H MET 1 1HT MET 1 14.842 -5.689 -2.756 2 2H MET 1 2HT MET 1 15.270 -5.326 -4.350 3 3H MET 1 3HT MET 1 13.970 -4.527 -3.622 4 HA MET 1 HA MET 1 16.606 -3.711 -3.708 5 1HB MET 1 2HB MET 1 14.298 -2.724 -2.028 6 2HB MET 1 1HB MET 1 15.725 -1.795 -2.464 7 1HG MET 1 2HG MET 1 13.751 -2.903 -4.442 8 2HG MET 1 1HG MET 1 13.717 -1.261 -3.807 9 1HE MET 1 1HE MET 1 16.386 -0.587 -3.353 10 2HE MET 1 2HE MET 1 16.217 0.593 -4.654 11 3HE MET 1 3HE MET 1 17.560 -0.552 -4.670 12 H TRP 2 H TRP 2 15.236 -3.128 -0.626 13 HA TRP 2 HA TRP 2 17.369 -4.684 0.664 14 1HB TRP 2 2HB TRP 2 16.442 -2.485 2.235 15 2HB TRP 2 1HB TRP 2 18.058 -2.756 1.592 16 HD1 TRP 2 HD TRP 2 18.781 -1.216 -0.395 17 HE1 TRP 2 1HE TRP 2 17.629 0.686 -1.697 18 HE3 TRP 2 3HE TRP 2 14.008 -1.777 1.357 19 HZ2 TRP 2 2HZ TRP 2 15.025 1.779 -1.905 20 HZ3 TRP 2 3HZ TRP 2 12.278 -0.236 0.542 21 HH2 TRP 2 HH TRP 2 12.793 1.490 -1.058 22 H LYS 3 H LYS 3 14.879 -2.839 2.296 23 HA LYS 3 HA LYS 3 13.900 -5.247 3.616 24 1HB LYS 3 2HB LYS 3 12.795 -3.779 5.134 25 2HB LYS 3 1HB LYS 3 14.393 -3.087 4.873 26 1HG LYS 3 2HG LYS 3 12.277 -2.118 3.073 27 2HG LYS 3 1HG LYS 3 12.072 -1.705 4.772 28 1HD LYS 3 2HD LYS 3 14.241 -0.641 4.818 29 2HD LYS 3 1HD LYS 3 14.564 -1.180 3.172 30 1HE LYS 3 2HE LYS 3 13.936 1.120 3.097 31 2HE LYS 3 1HE LYS 3 12.646 0.146 2.378 32 1HZ LYS 3 1HZ LYS 3 12.086 0.389 5.093 33 2HZ LYS 3 2HZ LYS 3 11.258 1.105 3.802 34 3HZ LYS 3 3HZ LYS 3 12.520 1.937 4.562 35 H VAL 4 H VAL 4 13.192 -3.066 1.163 36 HA VAL 4 HA VAL 4 10.555 -2.861 0.913 37 HB VAL 4 HB VAL 4 12.550 -2.160 -0.652 38 1HG1 VAL 4 1HG1 VAL 4 13.193 -4.161 -1.652 39 2HG1 VAL 4 2HG1 VAL 4 12.160 -3.426 -2.878 40 3HG1 VAL 4 3HG1 VAL 4 11.529 -4.714 -1.847 41 1HG2 VAL 4 1HG2 VAL 4 9.907 -1.725 -0.662 42 2HG2 VAL 4 2HG2 VAL 4 10.090 -2.539 -2.218 43 3HG2 VAL 4 3HG2 VAL 4 11.011 -1.075 -1.872 44 H GLY 5 H GLY 5 12.504 -5.668 0.017 45 1HA GLY 5 2HA GLY 5 10.797 -7.163 -1.419 46 2HA GLY 5 1HA GLY 5 11.853 -7.881 -0.209 47 H PHE 6 H PHE 6 10.631 -6.742 2.070 48 HA PHE 6 HA PHE 6 7.978 -7.963 1.921 49 1HB PHE 6 2HB PHE 6 8.582 -8.265 4.548 50 2HB PHE 6 1HB PHE 6 8.841 -9.511 3.333 51 HD1 PHE 6 1HD PHE 6 10.447 -6.950 5.407 52 HD2 PHE 6 2HD PHE 6 11.053 -10.095 2.604 53 HE1 PHE 6 1HE PHE 6 12.850 -6.961 5.942 54 HE2 PHE 6 2HE PHE 6 13.456 -10.111 3.134 55 HZ PHE 6 HZ PHE 6 14.356 -8.543 4.807 56 H PHE 7 H PHE 7 9.308 -5.118 1.961 57 HA PHE 7 HA PHE 7 7.707 -4.005 4.141 58 1HB PHE 7 2HB PHE 7 10.251 -3.457 3.479 59 2HB PHE 7 1HB PHE 7 9.427 -2.250 2.502 60 HD1 PHE 7 1HD PHE 7 10.406 -0.429 3.714 61 HD2 PHE 7 2HD PHE 7 7.999 -3.317 5.701 62 HE1 PHE 7 1HE PHE 7 10.226 1.072 5.648 63 HE2 PHE 7 2HE PHE 7 7.806 -1.824 7.647 64 HZ PHE 7 HZ PHE 7 8.920 0.373 7.625 65 H LYS 8 H LYS 8 8.273 -3.510 0.679 66 HA LYS 8 HA LYS 8 6.424 -1.463 0.379 67 1HB LYS 8 2HB LYS 8 6.427 -2.101 -2.051 68 2HB LYS 8 1HB LYS 8 7.992 -1.771 -1.311 69 1HG LYS 8 2HG LYS 8 7.551 -3.830 -2.949 70 2HG LYS 8 1HG LYS 8 8.757 -3.841 -1.674 71 1HD LYS 8 2HD LYS 8 7.715 -5.869 -1.372 72 2HD LYS 8 1HD LYS 8 6.854 -4.840 -0.227 73 1HE LYS 8 2HE LYS 8 4.940 -5.217 -1.243 74 2HE LYS 8 1HE LYS 8 5.597 -4.689 -2.794 75 1HZ LYS 8 1HZ LYS 8 5.848 -7.423 -1.655 76 2HZ LYS 8 2HZ LYS 8 6.457 -6.916 -3.150 77 3HZ LYS 8 3HZ LYS 8 4.785 -6.969 -2.892 78 H ARG 9 H ARG 9 5.816 -4.602 1.233 79 HA ARG 9 HA ARG 9 3.043 -4.457 0.264 80 1HB ARG 9 2HB ARG 9 3.442 -6.555 -0.459 81 2HB ARG 9 1HB ARG 9 4.954 -6.650 0.429 82 1HG ARG 9 2HG ARG 9 2.674 -6.867 2.196 83 2HG ARG 9 1HG ARG 9 2.635 -8.082 0.918 84 1HD ARG 9 2HD ARG 9 5.088 -8.508 1.504 85 2HD ARG 9 1HD ARG 9 4.765 -7.591 2.975 86 HE ARG 9 HE ARG 9 3.270 -10.027 2.256 87 1HH1 ARG 9 1HH1 ARG 9 4.972 -8.046 4.564 88 2HH1 ARG 9 2HH1 ARG 9 4.663 -9.109 5.896 89 1HH2 ARG 9 1HH2 ARG 9 2.857 -11.429 4.004 90 2HH2 ARG 9 2HH2 ARG 9 3.462 -11.032 5.578 91 H ASN 10 H ASN 10 5.180 -4.504 2.913 92 HA ASN 10 HA ASN 10 3.164 -5.033 4.930 93 1HB ASN 10 2HB ASN 10 5.393 -5.925 5.280 94 2HB ASN 10 1HB ASN 10 6.098 -4.316 5.102 95 1HD2 ASN 10 1HD2 ASN 10 5.928 -2.852 6.785 96 2HD2 ASN 10 2HD2 ASN 10 5.440 -3.314 8.376 97 H ARG 11 H ARG 11 5.629 -2.496 4.789 98 HA ARG 11 HA ARG 11 5.592 -0.288 5.284 99 1HB ARG 11 2HB ARG 11 4.131 -0.207 3.297 100 2HB ARG 11 1HB ARG 11 2.738 -0.434 4.339 101 1HG ARG 11 2HG ARG 11 2.637 1.806 4.253 102 2HG ARG 11 1HG ARG 11 3.858 1.702 5.523 103 1HD ARG 11 2HD ARG 11 4.529 1.852 2.594 104 2HD ARG 11 1HD ARG 11 4.382 3.275 3.625 105 HE ARG 11 HE ARG 11 6.489 1.256 3.716 106 1HH1 ARG 11 1HH1 ARG 11 5.055 4.128 5.081 107 2HH1 ARG 11 2HH1 ARG 11 6.473 4.566 5.972 108 1HH2 ARG 11 1HH2 ARG 11 8.358 1.833 4.878 109 2HH2 ARG 11 2HH2 ARG 11 8.350 3.260 5.859 110 1H LYS 12 1HT LYS 12 17.180 4.911 -0.943 111 2H LYS 12 2HT LYS 12 15.733 5.565 -1.527 112 3H LYS 12 3HT LYS 12 16.332 4.123 -2.177 113 HA LYS 12 HA LYS 12 15.086 3.029 -0.773 114 1HB LYS 12 2HB LYS 12 17.244 2.933 0.409 115 2HB LYS 12 1HB LYS 12 16.769 4.339 1.357 116 1HG LYS 12 2HG LYS 12 14.641 2.633 1.706 117 2HG LYS 12 1HG LYS 12 16.030 1.537 1.666 118 1HD LYS 12 2HD LYS 12 16.488 2.087 3.755 119 2HD LYS 12 1HD LYS 12 16.756 3.756 3.259 120 1HE LYS 12 2HE LYS 12 13.988 3.452 3.347 121 2HE LYS 12 1HE LYS 12 14.583 2.598 4.768 122 1HZ LYS 12 1HZ LYS 12 15.514 4.509 5.636 123 2HZ LYS 12 2HZ LYS 12 14.086 5.096 4.946 124 3HZ LYS 12 3HZ LYS 12 15.561 5.306 4.144 125 H LEU 13 H LEU 13 14.795 6.325 -0.703 126 HA LEU 13 HA LEU 13 12.747 6.221 1.364 127 1HB LEU 13 2HB LEU 13 13.764 8.598 -0.198 128 2HB LEU 13 1HB LEU 13 12.669 8.655 1.170 129 HG LEU 13 HG LEU 13 14.562 9.107 2.320 130 1HD1 LEU 13 1HD1 LEU 13 14.686 6.101 2.024 131 2HD1 LEU 13 2HD1 LEU 13 14.028 7.060 3.357 132 3HD1 LEU 13 3HD1 LEU 13 15.769 7.008 3.091 133 1HD2 LEU 13 1HD2 LEU 13 16.679 9.018 1.486 134 2HD2 LEU 13 2HD2 LEU 13 15.771 8.930 -0.024 135 3HD2 LEU 13 3HD2 LEU 13 16.426 7.461 0.699 136 H LEU 14 H LEU 14 12.623 4.967 -1.317 137 HA LEU 14 HA LEU 14 10.498 6.365 -2.694 138 1HB LEU 14 2HB LEU 14 10.491 4.277 -4.116 139 2HB LEU 14 1HB LEU 14 11.986 5.193 -4.117 140 HG LEU 14 HG LEU 14 11.966 3.098 -2.082 141 1HD1 LEU 14 1HD1 LEU 14 11.116 2.455 -4.820 142 2HD1 LEU 14 2HD1 LEU 14 10.912 1.550 -3.320 143 3HD1 LEU 14 3HD1 LEU 14 12.443 1.477 -4.192 144 1HD2 LEU 14 1HD2 LEU 14 14.115 2.556 -3.291 145 2HD2 LEU 14 2HD2 LEU 14 13.999 4.182 -2.618 146 3HD2 LEU 14 3HD2 LEU 14 13.768 3.925 -4.347 147 H ILE 15 H ILE 15 10.802 4.440 -0.035 148 HA ILE 15 HA ILE 15 8.346 2.945 -0.284 149 HB ILE 15 HB ILE 15 10.117 3.304 2.139 150 1HG1 ILE 15 2HG1 ILE 15 11.415 2.451 0.273 151 2HG1 ILE 15 1HG1 ILE 15 11.156 1.182 1.468 152 1HG2 ILE 15 1HG2 ILE 15 8.555 0.831 1.647 153 2HG2 ILE 15 2HG2 ILE 15 7.653 2.263 2.148 154 3HG2 ILE 15 3HG2 ILE 15 8.949 1.638 3.167 155 1HD1 ILE 15 1HD1 ILE 15 9.643 0.054 0.116 156 2HD1 ILE 15 2HD1 ILE 15 10.900 0.593 -1.001 157 3HD1 ILE 15 3HD1 ILE 15 9.368 1.463 -0.911 158 H THR 16 H THR 16 8.243 5.876 -0.417 159 HA THR 16 HA THR 16 6.482 6.363 1.892 160 HB THR 16 HB THR 16 8.559 7.757 1.887 161 HG1 THR 16 1HG THR 16 6.893 9.779 1.571 162 1HG2 THR 16 1HG2 THR 16 8.930 9.473 0.330 163 2HG2 THR 16 2HG2 THR 16 7.368 9.215 -0.447 164 3HG2 THR 16 3HG2 THR 16 8.649 8.016 -0.623 165 H ILE 17 H ILE 17 6.972 6.610 -1.549 166 HA ILE 17 HA ILE 17 4.163 7.438 -1.842 167 HB ILE 17 HB ILE 17 6.363 8.824 -2.766 168 1HG1 ILE 17 2HG1 ILE 17 4.131 9.735 -2.402 169 2HG1 ILE 17 1HG1 ILE 17 4.719 10.171 -4.003 170 1HG2 ILE 17 1HG2 ILE 17 5.573 6.878 -4.813 171 2HG2 ILE 17 2HG2 ILE 17 7.064 7.805 -4.635 172 3HG2 ILE 17 3HG2 ILE 17 5.645 8.550 -5.371 173 1HD1 ILE 17 1HD1 ILE 17 3.177 7.703 -3.980 174 2HD1 ILE 17 2HD1 ILE 17 3.035 9.125 -5.014 175 3HD1 ILE 17 3HD1 ILE 17 2.268 9.109 -3.427 176 H HIS 18 H HIS 18 6.773 5.419 -3.096 177 HA HIS 18 HA HIS 18 5.182 4.154 -5.093 178 1HB HIS 18 2HB HIS 18 7.222 3.523 -5.752 179 2HB HIS 18 1HB HIS 18 7.918 4.084 -4.237 180 HD1 HIS 18 1HD HIS 18 7.828 2.223 -2.239 181 HD2 HIS 18 2HD HIS 18 7.370 0.843 -6.131 182 HE1 HIS 18 1HE HIS 18 8.293 -0.246 -2.137 183 HE2 HIS 18 2HE HIS 18 8.055 -1.053 -4.511 184 H ASP 19 H ASP 19 5.722 3.664 -1.714 185 HA ASP 19 HA ASP 19 4.731 0.991 -1.589 186 1HB ASP 19 2HB ASP 19 5.830 2.922 0.230 187 2HB ASP 19 1HB ASP 19 4.347 2.261 0.911 188 H ARG 20 H ARG 20 3.298 4.005 -2.045 189 HA ARG 20 HA ARG 20 0.761 3.353 -0.830 190 1HB ARG 20 2HB ARG 20 2.033 5.712 -1.910 191 2HB ARG 20 1HB ARG 20 0.390 5.546 -2.511 192 1HG ARG 20 2HG ARG 20 -0.238 6.547 -0.630 193 2HG ARG 20 1HG ARG 20 0.126 5.020 0.174 194 1HD ARG 20 2HD ARG 20 2.587 6.105 0.092 195 2HD ARG 20 1HD ARG 20 1.611 7.572 0.174 196 HE ARG 20 HE ARG 20 1.816 5.492 2.217 197 1HH1 ARG 20 1HH1 ARG 20 0.435 8.509 1.146 198 2HH1 ARG 20 2HH1 ARG 20 -0.102 8.971 2.727 199 1HH2 ARG 20 1HH2 ARG 20 1.106 6.091 4.297 200 2HH2 ARG 20 2HH2 ARG 20 0.279 7.596 4.516 201 H LYS 21 H LYS 21 2.348 2.880 -3.769 202 HA LYS 21 HA LYS 21 -0.153 2.331 -5.201 203 1HB LYS 21 2HB LYS 21 2.163 1.985 -6.856 204 2HB LYS 21 1HB LYS 21 0.853 3.145 -7.023 205 1HG LYS 21 2HG LYS 21 1.994 4.797 -5.869 206 2HG LYS 21 1HG LYS 21 3.082 3.643 -5.095 207 1HD LYS 21 2HD LYS 21 4.476 4.535 -6.688 208 2HD LYS 21 1HD LYS 21 3.814 3.157 -7.569 209 1HE LYS 21 2HE LYS 21 3.448 4.749 -9.142 210 2HE LYS 21 1HE LYS 21 1.973 4.983 -8.204 211 1HZ LYS 21 1HZ LYS 21 2.924 7.102 -8.558 212 2HZ LYS 21 2HZ LYS 21 4.462 6.587 -8.079 213 3HZ LYS 21 3HZ LYS 21 3.222 6.718 -6.937 214 H GLU 22 H GLU 22 2.563 0.898 -3.698 215 HA GLU 22 HA GLU 22 2.476 -1.618 -5.054 216 1HB GLU 22 2HB GLU 22 3.885 -0.458 -2.691 217 2HB GLU 22 1HB GLU 22 3.787 -2.204 -2.817 218 1HG GLU 22 2HG GLU 22 4.637 -0.887 -5.279 219 2HG GLU 22 1HG GLU 22 5.728 -0.637 -3.909 220 H PHE 23 H PHE 23 0.257 -0.172 -3.270 221 HA PHE 23 HA PHE 23 -0.657 -2.635 -1.937 222 1HB PHE 23 2HB PHE 23 -0.170 -1.082 -0.223 223 2HB PHE 23 1HB PHE 23 -0.859 0.259 -1.119 224 HD1 PHE 23 1HD PHE 23 -1.814 -2.952 0.502 225 HD2 PHE 23 2HD PHE 23 -2.982 0.982 -0.619 226 HE1 PHE 23 1HE PHE 23 -3.923 -3.230 1.740 227 HE2 PHE 23 2HE PHE 23 -5.092 0.714 0.613 228 HZ PHE 23 HZ PHE 23 -5.565 -1.394 1.799 229 H ALA 24 H ALA 24 -1.234 -0.340 -4.333 230 HA ALA 24 HA ALA 24 -4.112 -0.564 -4.339 231 1HB ALA 24 1HB ALA 24 -3.472 1.522 -5.072 232 2HB ALA 24 2HB ALA 24 -3.763 0.679 -6.595 233 3HB ALA 24 3HB ALA 24 -2.114 0.896 -6.009 234 H LYS 25 H LYS 25 -3.268 -3.016 -4.387 235 HA LYS 25 HA LYS 25 -2.833 -4.163 -6.961 236 1HB LYS 25 2HB LYS 25 -3.712 -6.249 -5.589 237 2HB LYS 25 1HB LYS 25 -2.125 -5.566 -5.260 238 1HG LYS 25 2HG LYS 25 -2.707 -5.266 -3.143 239 2HG LYS 25 1HG LYS 25 -3.986 -4.152 -3.653 240 1HD LYS 25 2HD LYS 25 -5.604 -5.822 -3.637 241 2HD LYS 25 1HD LYS 25 -4.416 -7.120 -3.756 242 1HE LYS 25 2HE LYS 25 -3.701 -6.728 -1.481 243 2HE LYS 25 1HE LYS 25 -4.775 -5.334 -1.353 244 1HZ LYS 25 1HZ LYS 25 -5.414 -8.188 -1.293 245 2HZ LYS 25 2HZ LYS 25 -6.552 -7.147 -1.991 246 3HZ LYS 25 3HZ LYS 25 -6.065 -6.914 -0.387 247 H PHE 26 H PHE 26 -5.530 -4.311 -4.725 248 HA PHE 26 HA PHE 26 -7.450 -4.464 -6.953 249 1HB PHE 26 2HB PHE 26 -7.677 -6.490 -5.775 250 2HB PHE 26 1HB PHE 26 -7.331 -5.717 -4.233 251 HD1 PHE 26 1HD PHE 26 -9.036 -5.053 -2.824 252 HD2 PHE 26 2HD PHE 26 -9.917 -5.986 -6.880 253 HE1 PHE 26 1HE PHE 26 -11.441 -4.924 -2.325 254 HE2 PHE 26 2HE PHE 26 -12.326 -5.857 -6.392 255 HZ PHE 26 HZ PHE 26 -13.091 -5.327 -4.112 256 H GLU 27 H GLU 27 -6.177 -2.798 -4.354 257 HA GLU 27 HA GLU 27 -8.356 -1.342 -3.360 258 1HB GLU 27 2HB GLU 27 -5.415 -0.672 -3.508 259 2HB GLU 27 1HB GLU 27 -6.583 0.205 -2.547 260 1HG GLU 27 2HG GLU 27 -5.707 -2.641 -2.199 261 2HG GLU 27 1HG GLU 27 -5.419 -1.279 -1.115 262 H GLU 28 H GLU 28 -6.485 -1.087 -6.256 263 HA GLU 28 HA GLU 28 -7.178 1.636 -6.858 264 1HB GLU 28 2HB GLU 28 -6.279 1.113 -9.109 265 2HB GLU 28 1HB GLU 28 -5.161 0.678 -7.823 266 1HG GLU 28 2HG GLU 28 -5.609 -1.619 -8.072 267 2HG GLU 28 1HG GLU 28 -7.027 -1.312 -9.070 268 H GLU 29 H GLU 29 -8.813 -1.226 -6.775 269 HA GLU 29 HA GLU 29 -10.860 -0.306 -8.683 270 1HB GLU 29 2HB GLU 29 -10.653 -3.175 -7.850 271 2HB GLU 29 1HB GLU 29 -11.287 -2.493 -9.343 272 1HG GLU 29 2HG GLU 29 -8.415 -2.075 -8.900 273 2HG GLU 29 1HG GLU 29 -8.910 -3.752 -9.110 274 H ARG 30 H ARG 30 -10.061 -0.714 -5.510 275 HA ARG 30 HA ARG 30 -12.794 -1.312 -4.631 276 1HB ARG 30 2HB ARG 30 -11.230 -2.773 -3.628 277 2HB ARG 30 1HB ARG 30 -10.101 -1.471 -3.295 278 1HG ARG 30 2HG ARG 30 -12.745 -1.272 -2.003 279 2HG ARG 30 1HG ARG 30 -11.688 -2.571 -1.452 280 1HD ARG 30 2HD ARG 30 -9.927 -0.550 -1.483 281 2HD ARG 30 1HD ARG 30 -11.406 0.357 -1.168 282 HE ARG 30 HE ARG 30 -10.267 -1.736 0.550 283 1HH1 ARG 30 1HH1 ARG 30 -12.523 0.870 0.031 284 2HH1 ARG 30 2HH1 ARG 30 -12.973 0.983 1.700 285 1HH2 ARG 30 1HH2 ARG 30 -10.853 -1.597 2.746 286 2HH2 ARG 30 2HH2 ARG 30 -12.021 -0.420 3.246 287 H ALA 31 H ALA 31 -10.345 1.162 -4.653 288 HA ALA 31 HA ALA 31 -12.129 2.915 -3.095 289 1HB ALA 31 1HB ALA 31 -9.125 2.957 -3.286 290 2HB ALA 31 2HB ALA 31 -10.087 2.508 -1.877 291 3HB ALA 31 3HB ALA 31 -10.095 4.174 -2.458 292 H ARG 32 H ARG 32 -11.780 2.315 -6.069 293 HA ARG 32 HA ARG 32 -11.288 5.077 -6.977 294 1HB ARG 32 2HB ARG 32 -10.207 2.713 -7.927 295 2HB ARG 32 1HB ARG 32 -11.498 3.054 -9.070 296 1HG ARG 32 2HG ARG 32 -9.277 3.967 -9.714 297 2HG ARG 32 1HG ARG 32 -10.561 5.173 -9.614 298 1HD ARG 32 2HD ARG 32 -9.658 5.376 -7.131 299 2HD ARG 32 1HD ARG 32 -8.180 4.773 -7.882 300 HE ARG 32 HE ARG 32 -9.504 7.324 -8.437 301 1HH1 ARG 32 1HH1 ARG 32 -6.853 5.130 -8.990 302 2HH1 ARG 32 2HH1 ARG 32 -5.863 6.321 -9.765 303 1HH2 ARG 32 1HH2 ARG 32 -8.217 8.892 -9.457 304 2HH2 ARG 32 2HH2 ARG 32 -6.638 8.465 -10.031 305 H ALA 33 H ALA 33 -13.219 2.283 -8.046 306 HA ALA 33 HA ALA 33 -15.125 3.605 -9.486 307 1HB ALA 33 1HB ALA 33 -14.769 1.025 -8.544 308 2HB ALA 33 2HB ALA 33 -16.033 1.578 -9.644 309 3HB ALA 33 3HB ALA 33 -16.344 1.506 -7.909 310 H LYS 34 H LYS 34 -14.690 3.635 -6.067 311 HA LYS 34 HA LYS 34 -17.217 4.279 -5.123 312 1HB LYS 34 2HB LYS 34 -15.936 5.649 -3.395 313 2HB LYS 34 1HB LYS 34 -15.521 3.944 -3.507 314 1HG LYS 34 2HG LYS 34 -13.505 4.434 -4.662 315 2HG LYS 34 1HG LYS 34 -13.981 6.113 -4.907 316 1HD LYS 34 2HD LYS 34 -13.125 4.757 -2.366 317 2HD LYS 34 1HD LYS 34 -12.414 6.163 -3.160 318 1HE LYS 34 2HE LYS 34 -13.611 7.436 -1.783 319 2HE LYS 34 1HE LYS 34 -15.048 6.902 -2.653 320 1HZ LYS 34 1HZ LYS 34 -14.821 6.587 -0.073 321 2HZ LYS 34 2HZ LYS 34 -13.998 5.181 -0.527 322 3HZ LYS 34 3HZ LYS 34 -15.596 5.423 -1.027 323 H TRP 35 H TRP 35 -14.636 6.507 -6.092 324 HA TRP 35 HA TRP 35 -16.587 8.648 -6.419 325 1HB TRP 35 2HB TRP 35 -14.518 10.058 -6.720 326 2HB TRP 35 1HB TRP 35 -14.680 9.318 -5.135 327 HD1 TRP 35 HD TRP 35 -13.161 7.947 -8.429 328 HE1 TRP 35 1HE TRP 35 -10.800 7.165 -7.924 329 HE3 TRP 35 3HE TRP 35 -12.910 9.210 -3.488 330 HZ2 TRP 35 2HZ TRP 35 -9.012 7.068 -5.732 331 HZ3 TRP 35 3HZ TRP 35 -10.841 8.729 -2.256 332 HH2 TRP 35 HH TRP 35 -8.927 7.681 -3.354 333 H ASP 36 H ASP 36 -15.285 6.216 -8.123 334 HA ASP 36 HA ASP 36 -15.286 7.693 -10.672 335 1HB ASP 36 2HB ASP 36 -13.418 5.836 -9.553 336 2HB ASP 36 1HB ASP 36 -14.150 5.095 -10.980 Start of MODEL 4 1 1H MET 1 1HT MET 1 14.251 -4.907 -3.658 2 2H MET 1 2HT MET 1 14.451 -5.845 -2.265 3 3H MET 1 3HT MET 1 15.458 -6.091 -3.601 4 HA MET 1 HA MET 1 16.747 -4.302 -3.176 5 1HB MET 1 2HB MET 1 14.350 -3.089 -1.800 6 2HB MET 1 1HB MET 1 15.897 -2.288 -2.032 7 1HG MET 1 2HG MET 1 14.105 -3.247 -4.251 8 2HG MET 1 1HG MET 1 14.184 -1.591 -3.653 9 1HE MET 1 1HE MET 1 16.783 -1.162 -2.869 10 2HE MET 1 2HE MET 1 17.054 -0.082 -4.239 11 3HE MET 1 3HE MET 1 18.158 -1.426 -3.942 12 H TRP 2 H TRP 2 15.106 -3.540 -0.262 13 HA TRP 2 HA TRP 2 17.022 -5.155 1.271 14 1HB TRP 2 2HB TRP 2 16.026 -2.863 2.678 15 2HB TRP 2 1HB TRP 2 17.689 -3.244 2.254 16 HD1 TRP 2 HD TRP 2 18.744 -1.862 0.301 17 HE1 TRP 2 1HE TRP 2 17.901 0.072 -1.176 18 HE3 TRP 2 3HE TRP 2 13.766 -1.983 1.512 19 HZ2 TRP 2 2HZ TRP 2 15.437 1.356 -1.703 20 HZ3 TRP 2 3HZ TRP 2 12.272 -0.342 0.466 21 HH2 TRP 2 HH TRP 2 13.110 1.281 -1.110 22 H LYS 3 H LYS 3 14.457 -3.171 2.583 23 HA LYS 3 HA LYS 3 13.237 -5.499 3.843 24 1HB LYS 3 2HB LYS 3 12.033 -3.934 5.194 25 2HB LYS 3 1HB LYS 3 13.696 -3.364 5.129 26 1HG LYS 3 2HG LYS 3 11.880 -2.282 3.076 27 2HG LYS 3 1HG LYS 3 11.527 -1.812 4.737 28 1HD LYS 3 2HD LYS 3 13.759 -0.925 5.003 29 2HD LYS 3 1HD LYS 3 14.210 -1.513 3.403 30 1HE LYS 3 2HE LYS 3 13.750 0.860 3.324 31 2HE LYS 3 1HE LYS 3 12.563 -0.041 2.373 32 1HZ LYS 3 1HZ LYS 3 12.102 1.759 4.459 33 2HZ LYS 3 2HZ LYS 3 11.624 0.234 5.011 34 3HZ LYS 3 3HZ LYS 3 10.962 0.863 3.589 35 H VAL 4 H VAL 4 12.870 -3.269 1.344 36 HA VAL 4 HA VAL 4 10.323 -2.921 0.768 37 HB VAL 4 HB VAL 4 12.493 -2.400 -0.588 38 1HG1 VAL 4 1HG1 VAL 4 12.377 -3.790 -2.762 39 2HG1 VAL 4 2HG1 VAL 4 11.538 -4.989 -1.773 40 3HG1 VAL 4 3HG1 VAL 4 13.181 -4.496 -1.359 41 1HG2 VAL 4 1HG2 VAL 4 11.176 -1.400 -2.124 42 2HG2 VAL 4 2HG2 VAL 4 9.925 -1.852 -0.969 43 3HG2 VAL 4 3HG2 VAL 4 10.204 -2.843 -2.403 44 H GLY 5 H GLY 5 12.113 -5.905 0.045 45 1HA GLY 5 2HA GLY 5 10.417 -7.294 -1.476 46 2HA GLY 5 1HA GLY 5 11.286 -8.068 -0.158 47 H PHE 6 H PHE 6 9.989 -6.893 2.007 48 HA PHE 6 HA PHE 6 7.244 -7.804 1.580 49 1HB PHE 6 2HB PHE 6 7.336 -8.453 4.076 50 2HB PHE 6 1HB PHE 6 8.152 -9.503 2.922 51 HD1 PHE 6 1HD PHE 6 10.490 -9.837 3.008 52 HD2 PHE 6 2HD PHE 6 8.660 -6.891 5.475 53 HE1 PHE 6 1HE PHE 6 12.583 -9.606 4.278 54 HE2 PHE 6 2HE PHE 6 10.751 -6.653 6.749 55 HZ PHE 6 HZ PHE 6 12.716 -8.011 6.151 56 H PHE 7 H PHE 7 8.851 -5.124 1.835 57 HA PHE 7 HA PHE 7 7.213 -3.894 3.919 58 1HB PHE 7 2HB PHE 7 9.841 -3.594 3.414 59 2HB PHE 7 1HB PHE 7 9.191 -2.269 2.456 60 HD1 PHE 7 1HD PHE 7 9.790 -0.372 3.621 61 HD2 PHE 7 2HD PHE 7 7.951 -3.593 5.701 62 HE1 PHE 7 1HE PHE 7 9.607 1.039 5.621 63 HE2 PHE 7 2HE PHE 7 7.752 -2.190 7.710 64 HZ PHE 7 HZ PHE 7 8.583 0.132 7.676 65 H LYS 8 H LYS 8 7.984 -3.505 0.493 66 HA LYS 8 HA LYS 8 6.382 -1.246 0.117 67 1HB LYS 8 2HB LYS 8 6.469 -1.874 -2.313 68 2HB LYS 8 1HB LYS 8 8.011 -1.703 -1.482 69 1HG LYS 8 2HG LYS 8 7.422 -3.720 -3.155 70 2HG LYS 8 1HG LYS 8 8.606 -3.811 -1.862 71 1HD LYS 8 2HD LYS 8 7.436 -5.732 -1.486 72 2HD LYS 8 1HD LYS 8 6.542 -4.613 -0.456 73 1HE LYS 8 2HE LYS 8 4.691 -4.957 -1.596 74 2HE LYS 8 1HE LYS 8 5.484 -4.524 -3.112 75 1HZ LYS 8 1HZ LYS 8 4.482 -6.874 -2.830 76 2HZ LYS 8 2HZ LYS 8 5.890 -7.201 -1.953 77 3HZ LYS 8 3HZ LYS 8 5.996 -6.711 -3.568 78 H ARG 9 H ARG 9 5.459 -4.284 0.959 79 HA ARG 9 HA ARG 9 2.760 -3.926 -0.152 80 1HB ARG 9 2HB ARG 9 2.779 -6.097 -0.726 81 2HB ARG 9 1HB ARG 9 4.448 -6.200 -0.192 82 1HG ARG 9 2HG ARG 9 3.114 -6.437 2.168 83 2HG ARG 9 1HG ARG 9 2.006 -7.229 1.045 84 1HD ARG 9 2HD ARG 9 4.469 -8.198 0.289 85 2HD ARG 9 1HD ARG 9 4.604 -8.095 2.043 86 HE ARG 9 HE ARG 9 2.358 -9.503 0.763 87 1HH1 ARG 9 1HH1 ARG 9 5.045 -9.426 2.979 88 2HH1 ARG 9 2HH1 ARG 9 4.702 -10.985 3.651 89 1HH2 ARG 9 1HH2 ARG 9 1.899 -11.557 1.641 90 2HH2 ARG 9 2HH2 ARG 9 2.915 -12.197 2.890 91 H ASN 10 H ASN 10 4.760 -3.963 2.536 92 HA ASN 10 HA ASN 10 2.658 -4.405 4.503 93 1HB ASN 10 2HB ASN 10 4.677 -5.510 5.036 94 2HB ASN 10 1HB ASN 10 5.649 -4.094 4.624 95 1HD2 ASN 10 1HD2 ASN 10 3.482 -5.512 6.976 96 2HD2 ASN 10 2HD2 ASN 10 3.921 -4.482 8.292 97 H ARG 11 H ARG 11 5.339 -2.109 4.558 98 HA ARG 11 HA ARG 11 5.474 0.091 5.074 99 1HB ARG 11 2HB ARG 11 4.099 0.313 3.017 100 2HB ARG 11 1HB ARG 11 2.660 0.257 4.021 101 1HG ARG 11 2HG ARG 11 2.820 2.488 3.976 102 2HG ARG 11 1HG ARG 11 4.039 2.245 5.228 103 1HD ARG 11 2HD ARG 11 4.693 2.309 2.293 104 2HD ARG 11 1HD ARG 11 4.699 3.749 3.309 105 HE ARG 11 HE ARG 11 6.536 1.466 3.541 106 1HH1 ARG 11 1HH1 ARG 11 5.611 4.720 4.383 107 2HH1 ARG 11 2HH1 ARG 11 7.132 5.099 5.120 108 1HH2 ARG 11 1HH2 ARG 11 8.545 1.965 4.503 109 2HH2 ARG 11 2HH2 ARG 11 8.798 3.534 5.189 110 1H LYS 12 1HT LYS 12 17.001 4.678 -0.595 111 2H LYS 12 2HT LYS 12 15.630 5.006 -1.530 112 3H LYS 12 3HT LYS 12 16.507 3.583 -1.786 113 HA LYS 12 HA LYS 12 14.898 2.693 -0.549 114 1HB LYS 12 2HB LYS 12 17.021 2.501 0.703 115 2HB LYS 12 1HB LYS 12 16.575 3.933 1.625 116 1HG LYS 12 2HG LYS 12 14.370 2.398 1.977 117 2HG LYS 12 1HG LYS 12 15.633 1.164 1.864 118 1HD LYS 12 2HD LYS 12 16.771 3.045 3.486 119 2HD LYS 12 1HD LYS 12 15.080 3.100 3.978 120 1HE LYS 12 2HE LYS 12 15.139 0.629 4.236 121 2HE LYS 12 1HE LYS 12 16.867 0.673 3.893 122 1HZ LYS 12 1HZ LYS 12 15.584 1.064 6.344 123 2HZ LYS 12 2HZ LYS 12 16.314 2.529 5.917 124 3HZ LYS 12 3HZ LYS 12 17.243 1.120 6.014 125 H LEU 13 H LEU 13 14.834 5.984 -0.583 126 HA LEU 13 HA LEU 13 12.674 6.089 1.376 127 1HB LEU 13 2HB LEU 13 14.366 8.169 0.046 128 2HB LEU 13 1HB LEU 13 12.823 8.616 0.750 129 HG LEU 13 HG LEU 13 13.525 8.152 2.928 130 1HD1 LEU 13 1HD1 LEU 13 14.545 5.879 2.223 131 2HD1 LEU 13 2HD1 LEU 13 15.249 6.732 3.604 132 3HD1 LEU 13 3HD1 LEU 13 16.049 6.794 2.035 133 1HD2 LEU 13 1HD2 LEU 13 14.907 9.940 1.449 134 2HD2 LEU 13 2HD2 LEU 13 16.222 8.949 2.080 135 3HD2 LEU 13 3HD2 LEU 13 15.098 9.734 3.190 136 H LEU 14 H LEU 14 12.637 4.810 -1.268 137 HA LEU 14 HA LEU 14 10.684 6.339 -2.783 138 1HB LEU 14 2HB LEU 14 10.775 4.423 -4.339 139 2HB LEU 14 1HB LEU 14 12.358 5.113 -4.036 140 HG LEU 14 HG LEU 14 12.123 3.061 -2.142 141 1HD1 LEU 14 1HD1 LEU 14 11.654 1.556 -4.571 142 2HD1 LEU 14 2HD1 LEU 14 10.249 2.520 -4.112 143 3HD1 LEU 14 3HD1 LEU 14 10.942 1.370 -2.969 144 1HD2 LEU 14 1HD2 LEU 14 14.139 2.608 -2.972 145 2HD2 LEU 14 2HD2 LEU 14 13.874 3.922 -4.117 146 3HD2 LEU 14 3HD2 LEU 14 13.484 2.263 -4.573 147 H ILE 15 H ILE 15 10.850 4.195 -0.252 148 HA ILE 15 HA ILE 15 8.381 2.789 -0.660 149 HB ILE 15 HB ILE 15 10.165 2.998 1.777 150 1HG1 ILE 15 2HG1 ILE 15 11.348 2.087 -0.128 151 2HG1 ILE 15 1HG1 ILE 15 11.022 0.811 1.041 152 1HG2 ILE 15 1HG2 ILE 15 8.357 0.683 1.265 153 2HG2 ILE 15 2HG2 ILE 15 7.668 2.158 1.947 154 3HG2 ILE 15 3HG2 ILE 15 8.968 1.319 2.793 155 1HD1 ILE 15 1HD1 ILE 15 9.410 -0.175 -0.306 156 2HD1 ILE 15 2HD1 ILE 15 10.669 0.316 -1.441 157 3HD1 ILE 15 3HD1 ILE 15 9.200 1.280 -1.282 158 H THR 16 H THR 16 8.818 5.906 -0.153 159 HA THR 16 HA THR 16 6.832 6.213 1.977 160 HB THR 16 HB THR 16 8.976 7.547 1.994 161 HG1 THR 16 1HG THR 16 7.877 8.909 3.127 162 1HG2 THR 16 1HG2 THR 16 8.037 8.350 -0.600 163 2HG2 THR 16 2HG2 THR 16 9.587 8.656 0.185 164 3HG2 THR 16 3HG2 THR 16 8.227 9.744 0.465 165 H ILE 17 H ILE 17 7.280 6.691 -1.465 166 HA ILE 17 HA ILE 17 4.488 7.614 -1.618 167 HB ILE 17 HB ILE 17 6.561 9.131 -2.388 168 1HG1 ILE 17 2HG1 ILE 17 4.121 9.696 -2.299 169 2HG1 ILE 17 1HG1 ILE 17 4.992 10.455 -3.626 170 1HG2 ILE 17 1HG2 ILE 17 5.954 7.368 -4.728 171 2HG2 ILE 17 2HG2 ILE 17 7.516 7.895 -4.099 172 3HG2 ILE 17 3HG2 ILE 17 6.486 9.035 -4.966 173 1HD1 ILE 17 1HD1 ILE 17 3.811 7.902 -4.361 174 2HD1 ILE 17 2HD1 ILE 17 3.713 9.473 -5.156 175 3HD1 ILE 17 3HD1 ILE 17 2.627 9.092 -3.820 176 H HIS 18 H HIS 18 6.988 5.627 -3.150 177 HA HIS 18 HA HIS 18 5.322 4.638 -5.222 178 1HB HIS 18 2HB HIS 18 7.311 3.932 -5.947 179 2HB HIS 18 1HB HIS 18 8.041 4.337 -4.402 180 HD1 HIS 18 1HD HIS 18 7.641 2.281 -2.527 181 HD2 HIS 18 2HD HIS 18 7.570 1.331 -6.572 182 HE1 HIS 18 1HE HIS 18 8.068 -0.193 -2.645 183 HE2 HIS 18 2HE HIS 18 8.075 -0.736 -5.103 184 H ASP 19 H ASP 19 5.609 3.903 -1.892 185 HA ASP 19 HA ASP 19 4.571 1.235 -2.022 186 1HB ASP 19 2HB ASP 19 5.929 2.482 -0.124 187 2HB ASP 19 1HB ASP 19 4.316 2.907 0.440 188 H ARG 20 H ARG 20 3.250 4.360 -2.224 189 HA ARG 20 HA ARG 20 0.651 3.798 -1.192 190 1HB ARG 20 2HB ARG 20 2.013 6.034 -2.481 191 2HB ARG 20 1HB ARG 20 0.311 5.913 -2.902 192 1HG ARG 20 2HG ARG 20 -0.011 7.109 -1.044 193 2HG ARG 20 1HG ARG 20 0.229 5.574 -0.207 194 1HD ARG 20 2HD ARG 20 2.794 6.582 -0.703 195 2HD ARG 20 1HD ARG 20 1.839 7.959 -0.155 196 HE ARG 20 HE ARG 20 2.359 5.502 1.366 197 1HH1 ARG 20 1HH1 ARG 20 1.163 8.768 1.199 198 2HH1 ARG 20 2HH1 ARG 20 1.027 8.945 2.917 199 1HH2 ARG 20 1HH2 ARG 20 2.183 5.723 3.630 200 2HH2 ARG 20 2HH2 ARG 20 1.609 7.214 4.299 201 H LYS 21 H LYS 21 2.261 2.856 -3.942 202 HA LYS 21 HA LYS 21 -0.248 2.406 -5.415 203 1HB LYS 21 2HB LYS 21 1.993 1.994 -7.111 204 2HB LYS 21 1HB LYS 21 0.760 3.243 -7.221 205 1HG LYS 21 2HG LYS 21 2.042 4.796 -6.099 206 2HG LYS 21 1HG LYS 21 3.057 3.567 -5.340 207 1HD LYS 21 2HD LYS 21 4.515 4.272 -6.940 208 2HD LYS 21 1HD LYS 21 3.652 3.057 -7.885 209 1HE LYS 21 2HE LYS 21 3.643 4.893 -9.299 210 2HE LYS 21 1HE LYS 21 2.073 5.014 -8.504 211 1HZ LYS 21 1HZ LYS 21 3.856 6.392 -6.905 212 2HZ LYS 21 2HZ LYS 21 2.647 7.048 -7.891 213 3HZ LYS 21 3HZ LYS 21 4.217 6.860 -8.491 214 H GLU 22 H GLU 22 2.790 1.029 -4.332 215 HA GLU 22 HA GLU 22 2.591 -1.491 -5.517 216 1HB GLU 22 2HB GLU 22 4.031 -0.310 -3.190 217 2HB GLU 22 1HB GLU 22 3.983 -2.056 -3.330 218 1HG GLU 22 2HG GLU 22 4.801 -0.434 -5.684 219 2HG GLU 22 1HG GLU 22 5.944 -0.681 -4.360 220 H PHE 23 H PHE 23 0.761 -0.030 -3.075 221 HA PHE 23 HA PHE 23 -0.143 -2.597 -1.984 222 1HB PHE 23 2HB PHE 23 0.538 -0.815 -0.388 223 2HB PHE 23 1HB PHE 23 -0.754 0.203 -1.013 224 HD1 PHE 23 1HD PHE 23 -2.779 0.197 0.070 225 HD2 PHE 23 2HD PHE 23 -0.228 -3.188 0.452 226 HE1 PHE 23 1HE PHE 23 -4.345 -0.797 1.686 227 HE2 PHE 23 2HE PHE 23 -1.791 -4.189 2.066 228 HZ PHE 23 HZ PHE 23 -3.852 -2.994 2.686 229 H ALA 24 H ALA 24 -1.458 0.460 -3.277 230 HA ALA 24 HA ALA 24 -4.102 -0.662 -3.527 231 1HB ALA 24 1HB ALA 24 -3.982 1.659 -3.022 232 2HB ALA 24 2HB ALA 24 -4.606 1.520 -4.666 233 3HB ALA 24 3HB ALA 24 -2.923 1.971 -4.396 234 H LYS 25 H LYS 25 -2.158 -2.140 -4.901 235 HA LYS 25 HA LYS 25 -2.214 -1.605 -7.711 236 1HB LYS 25 2HB LYS 25 -1.538 -4.155 -7.672 237 2HB LYS 25 1HB LYS 25 -0.404 -2.933 -7.113 238 1HG LYS 25 2HG LYS 25 -0.257 -4.018 -5.186 239 2HG LYS 25 1HG LYS 25 -1.954 -3.612 -4.869 240 1HD LYS 25 2HD LYS 25 -1.665 -5.994 -4.662 241 2HD LYS 25 1HD LYS 25 -2.611 -5.663 -6.115 242 1HE LYS 25 2HE LYS 25 0.090 -5.659 -6.903 243 2HE LYS 25 1HE LYS 25 -0.114 -7.054 -5.844 244 1HZ LYS 25 1HZ LYS 25 -1.414 -8.095 -7.327 245 2HZ LYS 25 2HZ LYS 25 -0.685 -7.061 -8.450 246 3HZ LYS 25 3HZ LYS 25 -2.204 -6.680 -7.813 247 H PHE 26 H PHE 26 -3.623 -4.064 -5.653 248 HA PHE 26 HA PHE 26 -5.916 -4.356 -7.469 249 1HB PHE 26 2HB PHE 26 -4.718 -6.416 -7.497 250 2HB PHE 26 1HB PHE 26 -4.416 -6.328 -5.766 251 HD1 PHE 26 1HD PHE 26 -6.931 -7.073 -8.336 252 HD2 PHE 26 2HD PHE 26 -6.001 -7.111 -4.186 253 HE1 PHE 26 1HE PHE 26 -8.890 -8.499 -7.916 254 HE2 PHE 26 2HE PHE 26 -7.957 -8.537 -3.755 255 HZ PHE 26 HZ PHE 26 -9.406 -9.234 -5.622 256 H GLU 27 H GLU 27 -4.680 -3.564 -4.452 257 HA GLU 27 HA GLU 27 -6.668 -4.123 -2.631 258 1HB GLU 27 2HB GLU 27 -4.429 -2.250 -2.883 259 2HB GLU 27 1HB GLU 27 -5.697 -1.693 -1.814 260 1HG GLU 27 2HG GLU 27 -4.228 -4.302 -1.621 261 2HG GLU 27 1HG GLU 27 -3.988 -2.889 -0.587 262 H GLU 28 H GLU 28 -6.518 -1.628 -5.081 263 HA GLU 28 HA GLU 28 -8.495 0.106 -4.154 264 1HB GLU 28 2HB GLU 28 -8.884 0.566 -6.635 265 2HB GLU 28 1HB GLU 28 -7.251 0.821 -6.032 266 1HG GLU 28 2HG GLU 28 -6.418 -1.040 -7.118 267 2HG GLU 28 1HG GLU 28 -8.005 -1.797 -7.255 268 H GLU 29 H GLU 29 -8.699 -2.930 -5.892 269 HA GLU 29 HA GLU 29 -11.584 -2.816 -6.105 270 1HB GLU 29 2HB GLU 29 -10.916 -3.994 -7.923 271 2HB GLU 29 1HB GLU 29 -9.409 -4.494 -7.167 272 1HG GLU 29 2HG GLU 29 -10.444 -6.315 -6.085 273 2HG GLU 29 1HG GLU 29 -12.060 -5.721 -6.468 274 H ARG 30 H ARG 30 -9.123 -4.337 -4.137 275 HA ARG 30 HA ARG 30 -10.780 -6.205 -2.806 276 1HB ARG 30 2HB ARG 30 -8.090 -5.678 -2.858 277 2HB ARG 30 1HB ARG 30 -8.535 -5.115 -1.252 278 1HG ARG 30 2HG ARG 30 -9.449 -7.800 -2.167 279 2HG ARG 30 1HG ARG 30 -7.783 -7.579 -1.630 280 1HD ARG 30 2HD ARG 30 -10.298 -7.040 -0.059 281 2HD ARG 30 1HD ARG 30 -9.102 -8.300 0.240 282 HE ARG 30 HE ARG 30 -7.841 -5.790 0.336 283 1HH1 ARG 30 1HH1 ARG 30 -10.111 -7.727 2.135 284 2HH1 ARG 30 2HH1 ARG 30 -9.699 -7.022 3.663 285 1HH2 ARG 30 1HH2 ARG 30 -7.292 -4.855 2.345 286 2HH2 ARG 30 2HH2 ARG 30 -8.098 -5.390 3.782 287 H ALA 31 H ALA 31 -10.597 -2.841 -2.657 288 HA ALA 31 HA ALA 31 -11.972 -2.797 -0.054 289 1HB ALA 31 1HB ALA 31 -10.222 -0.711 -1.347 290 2HB ALA 31 2HB ALA 31 -9.922 -1.590 0.152 291 3HB ALA 31 3HB ALA 31 -11.225 -0.405 0.070 292 H ARG 32 H ARG 32 -12.517 -2.725 -3.239 293 HA ARG 32 HA ARG 32 -14.502 -0.599 -3.283 294 1HB ARG 32 2HB ARG 32 -12.963 -2.164 -5.208 295 2HB ARG 32 1HB ARG 32 -14.636 -1.995 -5.654 296 1HG ARG 32 2HG ARG 32 -12.475 0.017 -5.550 297 2HG ARG 32 1HG ARG 32 -13.783 -0.174 -6.713 298 1HD ARG 32 2HD ARG 32 -14.433 0.694 -3.933 299 2HD ARG 32 1HD ARG 32 -13.721 1.857 -5.051 300 HE ARG 32 HE ARG 32 -16.116 0.377 -5.865 301 1HH1 ARG 32 1HH1 ARG 32 -14.575 3.373 -4.980 302 2HH1 ARG 32 2HH1 ARG 32 -15.878 4.362 -5.549 303 1HH2 ARG 32 1HH2 ARG 32 -17.840 1.673 -6.616 304 2HH2 ARG 32 2HH2 ARG 32 -17.733 3.396 -6.478 305 H ALA 33 H ALA 33 -14.427 -4.005 -4.295 306 HA ALA 33 HA ALA 33 -17.128 -4.425 -4.475 307 1HB ALA 33 1HB ALA 33 -15.442 -6.643 -3.435 308 2HB ALA 33 2HB ALA 33 -15.059 -5.948 -5.009 309 3HB ALA 33 3HB ALA 33 -16.651 -6.647 -4.719 310 H LYS 34 H LYS 34 -15.375 -3.906 -1.560 311 HA LYS 34 HA LYS 34 -17.059 -5.442 0.145 312 1HB LYS 34 2HB LYS 34 -16.176 -3.234 1.650 313 2HB LYS 34 1HB LYS 34 -15.543 -4.869 1.667 314 1HG LYS 34 2HG LYS 34 -13.758 -4.333 0.325 315 2HG LYS 34 1HG LYS 34 -14.566 -2.939 -0.399 316 1HD LYS 34 2HD LYS 34 -12.942 -2.047 1.064 317 2HD LYS 34 1HD LYS 34 -14.484 -1.878 1.905 318 1HE LYS 34 2HE LYS 34 -13.790 -4.258 2.853 319 2HE LYS 34 1HE LYS 34 -12.174 -3.653 2.492 320 1HZ LYS 34 1HZ LYS 34 -12.808 -1.630 3.806 321 2HZ LYS 34 2HZ LYS 34 -12.645 -3.053 4.707 322 3HZ LYS 34 3HZ LYS 34 -14.185 -2.470 4.317 323 H TRP 35 H TRP 35 -17.068 -2.062 -0.862 324 HA TRP 35 HA TRP 35 -19.723 -1.734 0.334 325 1HB TRP 35 2HB TRP 35 -19.322 0.705 -0.063 326 2HB TRP 35 1HB TRP 35 -18.170 -0.032 1.044 327 HD1 TRP 35 HD TRP 35 -18.108 0.074 -2.826 328 HE1 TRP 35 1HE TRP 35 -15.933 1.150 -3.539 329 HE3 TRP 35 3HE TRP 35 -16.174 1.185 1.776 330 HZ2 TRP 35 2HZ TRP 35 -13.638 2.312 -2.365 331 HZ3 TRP 35 3HZ TRP 35 -13.969 2.268 1.885 332 HH2 TRP 35 HH TRP 35 -12.728 2.817 -0.140 333 H ASP 36 H ASP 36 -18.279 -2.506 -2.509 334 HA ASP 36 HA ASP 36 -20.362 -1.265 -4.166 335 1HB ASP 36 2HB ASP 36 -17.535 -1.610 -4.509 336 2HB ASP 36 1HB ASP 36 -18.379 -2.500 -5.780 Start of MODEL 5 1 1H MET 1 1HT MET 1 16.449 -5.125 -3.238 2 2H MET 1 2HT MET 1 15.038 -4.683 -2.420 3 3H MET 1 3HT MET 1 16.089 -5.821 -1.740 4 HA MET 1 HA MET 1 17.672 -3.647 -2.166 5 1HB MET 1 2HB MET 1 15.007 -2.797 -1.037 6 2HB MET 1 1HB MET 1 16.449 -1.796 -1.134 7 1HG MET 1 2HG MET 1 14.955 -2.935 -3.484 8 2HG MET 1 1HG MET 1 14.835 -1.279 -2.895 9 1HE MET 1 1HE MET 1 17.258 -0.546 -1.951 10 2HE MET 1 2HE MET 1 17.760 0.442 -3.326 11 3HE MET 1 3HE MET 1 18.777 -0.892 -2.779 12 H TRP 2 H TRP 2 15.601 -3.225 0.530 13 HA TRP 2 HA TRP 2 17.505 -4.652 2.259 14 1HB TRP 2 2HB TRP 2 16.020 -2.565 3.569 15 2HB TRP 2 1HB TRP 2 17.765 -2.730 3.401 16 HD1 TRP 2 HD TRP 2 18.929 -1.207 1.618 17 HE1 TRP 2 1HE TRP 2 18.099 0.698 0.098 18 HE3 TRP 2 3HE TRP 2 13.866 -1.821 2.162 19 HZ2 TRP 2 2HZ TRP 2 15.624 1.769 -0.716 20 HZ3 TRP 2 3HZ TRP 2 12.372 -0.280 0.972 21 HH2 TRP 2 HH TRP 2 13.249 1.463 -0.444 22 H LYS 3 H LYS 3 14.526 -3.049 3.141 23 HA LYS 3 HA LYS 3 13.425 -5.571 4.158 24 1HB LYS 3 2HB LYS 3 11.993 -4.232 5.515 25 2HB LYS 3 1HB LYS 3 13.599 -3.526 5.662 26 1HG LYS 3 2HG LYS 3 11.862 -2.430 3.546 27 2HG LYS 3 1HG LYS 3 11.355 -2.123 5.204 28 1HD LYS 3 2HD LYS 3 13.459 -1.061 5.696 29 2HD LYS 3 1HD LYS 3 14.093 -1.503 4.110 30 1HE LYS 3 2HE LYS 3 12.550 -0.072 2.992 31 2HE LYS 3 1HE LYS 3 11.668 0.232 4.498 32 1HZ LYS 3 1HZ LYS 3 13.074 1.839 5.056 33 2HZ LYS 3 2HZ LYS 3 13.680 1.761 3.480 34 3HZ LYS 3 3HZ LYS 3 14.438 0.896 4.718 35 H VAL 4 H VAL 4 13.200 -3.202 1.798 36 HA VAL 4 HA VAL 4 10.712 -2.887 0.992 37 HB VAL 4 HB VAL 4 12.932 -2.181 -0.136 38 1HG1 VAL 4 1HG1 VAL 4 13.879 -4.216 -0.813 39 2HG1 VAL 4 2HG1 VAL 4 13.202 -3.561 -2.305 40 3HG1 VAL 4 3HG1 VAL 4 12.344 -4.834 -1.430 41 1HG2 VAL 4 1HG2 VAL 4 11.713 -1.288 -1.817 42 2HG2 VAL 4 2HG2 VAL 4 10.381 -1.879 -0.827 43 3HG2 VAL 4 3HG2 VAL 4 10.929 -2.816 -2.217 44 H GLY 5 H GLY 5 12.628 -5.807 0.387 45 1HA GLY 5 2HA GLY 5 11.124 -7.133 -1.401 46 2HA GLY 5 1HA GLY 5 11.890 -7.961 -0.051 47 H PHE 6 H PHE 6 10.374 -6.883 2.029 48 HA PHE 6 HA PHE 6 7.707 -7.844 1.325 49 1HB PHE 6 2HB PHE 6 7.480 -8.962 3.412 50 2HB PHE 6 1HB PHE 6 9.062 -9.418 2.789 51 HD1 PHE 6 1HD PHE 6 7.308 -8.300 5.599 52 HD2 PHE 6 2HD PHE 6 11.043 -7.877 3.605 53 HE1 PHE 6 1HE PHE 6 8.340 -7.549 7.702 54 HE2 PHE 6 2HE PHE 6 12.083 -7.125 5.705 55 HZ PHE 6 HZ PHE 6 10.733 -6.961 7.756 56 H PHE 7 H PHE 7 9.221 -5.147 1.791 57 HA PHE 7 HA PHE 7 7.419 -3.994 3.773 58 1HB PHE 7 2HB PHE 7 10.009 -3.588 3.553 59 2HB PHE 7 1HB PHE 7 9.493 -2.409 2.353 60 HD1 PHE 7 1HD PHE 7 7.729 -3.270 5.500 61 HD2 PHE 7 2HD PHE 7 10.030 -0.401 3.365 62 HE1 PHE 7 1HE PHE 7 7.257 -1.600 7.244 63 HE2 PHE 7 2HE PHE 7 9.578 1.274 5.100 64 HZ PHE 7 HZ PHE 7 8.179 0.674 7.045 65 H LYS 8 H LYS 8 8.424 -3.437 0.427 66 HA LYS 8 HA LYS 8 6.726 -1.278 -0.009 67 1HB LYS 8 2HB LYS 8 7.039 -1.774 -2.428 68 2HB LYS 8 1HB LYS 8 8.514 -1.644 -1.477 69 1HG LYS 8 2HG LYS 8 7.990 -3.592 -3.298 70 2HG LYS 8 1HG LYS 8 9.175 -3.683 -2.010 71 1HD LYS 8 2HD LYS 8 8.116 -5.643 -1.636 72 2HD LYS 8 1HD LYS 8 7.080 -4.596 -0.662 73 1HE LYS 8 2HE LYS 8 5.347 -5.194 -1.880 74 2HE LYS 8 1HE LYS 8 6.107 -4.488 -3.305 75 1HZ LYS 8 1HZ LYS 8 6.951 -7.166 -2.474 76 2HZ LYS 8 2HZ LYS 8 6.845 -6.504 -4.027 77 3HZ LYS 8 3HZ LYS 8 5.444 -7.010 -3.225 78 H ARG 9 H ARG 9 5.889 -4.375 0.685 79 HA ARG 9 HA ARG 9 3.271 -4.133 -0.631 80 1HB ARG 9 2HB ARG 9 3.824 -6.229 -1.332 81 2HB ARG 9 1HB ARG 9 5.039 -6.430 -0.082 82 1HG ARG 9 2HG ARG 9 2.660 -6.537 1.314 83 2HG ARG 9 1HG ARG 9 2.304 -7.384 -0.193 84 1HD ARG 9 2HD ARG 9 4.827 -8.287 0.567 85 2HD ARG 9 1HD ARG 9 3.900 -8.223 2.065 86 HE ARG 9 HE ARG 9 2.607 -9.961 1.308 87 1HH1 ARG 9 1HH1 ARG 9 4.484 -8.686 -1.338 88 2HH1 ARG 9 2HH1 ARG 9 4.075 -9.975 -2.418 89 1HH2 ARG 9 1HH2 ARG 9 2.064 -11.662 -0.107 90 2HH2 ARG 9 2HH2 ARG 9 2.698 -11.666 -1.719 91 H ASN 10 H ASN 10 5.070 -4.266 2.255 92 HA ASN 10 HA ASN 10 2.784 -4.667 4.004 93 1HB ASN 10 2HB ASN 10 4.849 -5.768 4.621 94 2HB ASN 10 1HB ASN 10 5.729 -4.238 4.532 95 1HD2 ASN 10 1HD2 ASN 10 3.553 -6.203 6.381 96 2HD2 ASN 10 2HD2 ASN 10 3.607 -5.266 7.832 97 H ARG 11 H ARG 11 5.459 -2.376 4.281 98 HA ARG 11 HA ARG 11 5.539 -0.167 4.774 99 1HB ARG 11 2HB ARG 11 4.113 -0.164 2.646 100 2HB ARG 11 1HB ARG 11 2.750 0.091 3.713 101 1HG ARG 11 2HG ARG 11 4.593 1.990 2.645 102 2HG ARG 11 1HG ARG 11 3.127 2.272 3.578 103 1HD ARG 11 2HD ARG 11 4.639 3.262 4.962 104 2HD ARG 11 1HD ARG 11 4.740 1.619 5.587 105 HE ARG 11 HE ARG 11 6.722 1.384 4.064 106 1HH1 ARG 11 1HH1 ARG 11 5.725 4.482 5.309 107 2HH1 ARG 11 2HH1 ARG 11 7.305 5.182 5.194 108 1HH2 ARG 11 1HH2 ARG 11 8.807 2.297 3.907 109 2HH2 ARG 11 2HH2 ARG 11 9.057 3.941 4.395 110 1H LYS 12 1HT LYS 12 15.348 5.724 -1.036 111 2H LYS 12 2HT LYS 12 15.646 4.254 -1.816 112 3H LYS 12 3HT LYS 12 16.744 4.840 -0.671 113 HA LYS 12 HA LYS 12 14.783 3.059 -0.203 114 1HB LYS 12 2HB LYS 12 16.758 3.354 1.152 115 2HB LYS 12 1HB LYS 12 16.184 4.924 1.705 116 1HG LYS 12 2HG LYS 12 14.163 2.996 2.266 117 2HG LYS 12 1HG LYS 12 15.718 2.372 2.841 118 1HD LYS 12 2HD LYS 12 15.824 3.860 4.500 119 2HD LYS 12 1HD LYS 12 15.332 5.194 3.457 120 1HE LYS 12 2HE LYS 12 13.206 3.275 4.105 121 2HE LYS 12 1HE LYS 12 13.836 4.172 5.485 122 1HZ LYS 12 1HZ LYS 12 13.349 6.228 4.362 123 2HZ LYS 12 2HZ LYS 12 11.949 5.280 4.414 124 3HZ LYS 12 3HZ LYS 12 12.832 5.404 2.976 125 H LEU 13 H LEU 13 14.306 6.463 -0.202 126 HA LEU 13 HA LEU 13 11.967 6.248 1.470 127 1HB LEU 13 2HB LEU 13 13.286 8.511 0.000 128 2HB LEU 13 1HB LEU 13 11.686 8.702 0.694 129 HG LEU 13 HG LEU 13 12.488 8.418 2.904 130 1HD1 LEU 13 1HD1 LEU 13 14.032 6.502 2.352 131 2HD1 LEU 13 2HD1 LEU 13 14.671 7.676 3.514 132 3HD1 LEU 13 3HD1 LEU 13 15.218 7.713 1.839 133 1HD2 LEU 13 1HD2 LEU 13 14.840 9.929 2.145 134 2HD2 LEU 13 2HD2 LEU 13 13.403 10.442 3.028 135 3HD2 LEU 13 3HD2 LEU 13 13.402 10.449 1.265 136 H LEU 14 H LEU 14 12.442 4.964 -1.270 137 HA LEU 14 HA LEU 14 10.371 5.981 -2.958 138 1HB LEU 14 2HB LEU 14 10.712 3.859 -4.208 139 2HB LEU 14 1HB LEU 14 12.190 4.768 -3.965 140 HG LEU 14 HG LEU 14 11.814 2.824 -1.836 141 1HD1 LEU 14 1HD1 LEU 14 11.787 0.823 -2.989 142 2HD1 LEU 14 2HD1 LEU 14 12.256 1.571 -4.515 143 3HD1 LEU 14 3HD1 LEU 14 10.618 1.782 -3.895 144 1HD2 LEU 14 1HD2 LEU 14 13.906 4.026 -2.509 145 2HD2 LEU 14 2HD2 LEU 14 13.946 3.021 -3.957 146 3HD2 LEU 14 3HD2 LEU 14 14.073 2.277 -2.363 147 H ILE 15 H ILE 15 10.584 4.028 -0.216 148 HA ILE 15 HA ILE 15 8.115 2.585 -0.628 149 HB ILE 15 HB ILE 15 9.784 2.755 1.886 150 1HG1 ILE 15 2HG1 ILE 15 11.211 2.066 0.050 151 2HG1 ILE 15 1HG1 ILE 15 10.872 0.686 1.091 152 1HG2 ILE 15 1HG2 ILE 15 8.305 0.312 1.117 153 2HG2 ILE 15 2HG2 ILE 15 7.329 1.694 1.619 154 3HG2 ILE 15 3HG2 ILE 15 8.550 1.036 2.708 155 1HD1 ILE 15 1HD1 ILE 15 9.709 -0.402 -0.501 156 2HD1 ILE 15 2HD1 ILE 15 10.724 0.579 -1.561 157 3HD1 ILE 15 3HD1 ILE 15 9.070 1.082 -1.210 158 H THR 16 H THR 16 8.388 5.635 -0.333 159 HA THR 16 HA THR 16 6.486 5.985 1.883 160 HB THR 16 HB THR 16 8.352 7.959 0.559 161 HG1 THR 16 1HG THR 16 8.219 7.025 3.231 162 1HG2 THR 16 1HG2 THR 16 6.002 8.427 2.255 163 2HG2 THR 16 2HG2 THR 16 6.828 9.501 1.125 164 3HG2 THR 16 3HG2 THR 16 7.479 9.257 2.746 165 H ILE 17 H ILE 17 7.051 6.544 -1.531 166 HA ILE 17 HA ILE 17 4.264 7.464 -1.771 167 HB ILE 17 HB ILE 17 6.459 8.931 -2.480 168 1HG1 ILE 17 2HG1 ILE 17 4.144 9.727 -2.193 169 2HG1 ILE 17 1HG1 ILE 17 4.886 10.383 -3.647 170 1HG2 ILE 17 1HG2 ILE 17 5.536 7.434 -4.913 171 2HG2 ILE 17 2HG2 ILE 17 7.180 7.642 -4.307 172 3HG2 ILE 17 3HG2 ILE 17 6.320 9.011 -5.013 173 1HD1 ILE 17 1HD1 ILE 17 3.622 8.064 -4.496 174 2HD1 ILE 17 2HD1 ILE 17 3.075 9.724 -4.737 175 3HD1 ILE 17 3HD1 ILE 17 2.500 8.797 -3.351 176 H HIS 18 H HIS 18 6.845 5.546 -3.258 177 HA HIS 18 HA HIS 18 5.210 4.565 -5.376 178 1HB HIS 18 2HB HIS 18 7.220 3.977 -6.150 179 2HB HIS 18 1HB HIS 18 7.953 4.385 -4.606 180 HD1 HIS 18 1HD HIS 18 7.781 2.297 -2.781 181 HD2 HIS 18 2HD HIS 18 7.514 1.385 -6.825 182 HE1 HIS 18 1HE HIS 18 8.321 -0.153 -2.955 183 HE2 HIS 18 2HE HIS 18 8.096 -0.695 -5.404 184 H ASP 19 H ASP 19 5.652 3.723 -2.073 185 HA ASP 19 HA ASP 19 4.700 1.031 -2.252 186 1HB ASP 19 2HB ASP 19 6.073 2.147 -0.351 187 2HB ASP 19 1HB ASP 19 4.513 2.724 0.226 188 H ARG 20 H ARG 20 3.285 4.164 -2.108 189 HA ARG 20 HA ARG 20 0.722 3.456 -1.137 190 1HB ARG 20 2HB ARG 20 2.036 5.803 -2.168 191 2HB ARG 20 1HB ARG 20 0.427 5.657 -2.860 192 1HG ARG 20 2HG ARG 20 0.290 6.998 -0.889 193 2HG ARG 20 1HG ARG 20 -0.484 5.446 -0.560 194 1HD ARG 20 2HD ARG 20 2.403 5.769 0.094 195 2HD ARG 20 1HD ARG 20 1.211 6.530 1.148 196 HE ARG 20 HE ARG 20 0.927 3.683 0.527 197 1HH1 ARG 20 1HH1 ARG 20 1.682 6.194 2.824 198 2HH1 ARG 20 2HH1 ARG 20 1.540 5.153 4.200 199 1HH2 ARG 20 1HH2 ARG 20 0.746 2.307 2.333 200 2HH2 ARG 20 2HH2 ARG 20 1.009 2.945 3.922 201 H LYS 21 H LYS 21 2.305 2.621 -3.919 202 HA LYS 21 HA LYS 21 -0.214 2.146 -5.363 203 1HB LYS 21 2HB LYS 21 2.032 1.983 -7.122 204 2HB LYS 21 1HB LYS 21 0.666 3.087 -7.183 205 1HG LYS 21 2HG LYS 21 1.786 4.749 -6.047 206 2HG LYS 21 1HG LYS 21 2.931 3.624 -5.314 207 1HD LYS 21 2HD LYS 21 4.201 4.717 -6.937 208 2HD LYS 21 1HD LYS 21 3.738 3.206 -7.721 209 1HE LYS 21 2HE LYS 21 2.057 5.661 -8.042 210 2HE LYS 21 1HE LYS 21 3.507 5.438 -9.021 211 1HZ LYS 21 1HZ LYS 21 2.120 3.050 -9.138 212 2HZ LYS 21 2HZ LYS 21 2.286 4.197 -10.370 213 3HZ LYS 21 3HZ LYS 21 0.952 4.260 -9.331 214 H GLU 22 H GLU 22 2.831 0.863 -4.260 215 HA GLU 22 HA GLU 22 2.755 -1.599 -5.646 216 1HB GLU 22 2HB GLU 22 4.250 -0.447 -3.348 217 2HB GLU 22 1HB GLU 22 4.230 -2.191 -3.501 218 1HG GLU 22 2HG GLU 22 4.849 -0.763 -5.977 219 2HG GLU 22 1HG GLU 22 6.026 -0.541 -4.676 220 H PHE 23 H PHE 23 0.724 -0.369 -3.367 221 HA PHE 23 HA PHE 23 -0.029 -3.039 -2.369 222 1HB PHE 23 2HB PHE 23 0.849 -1.457 -0.632 223 2HB PHE 23 1HB PHE 23 -0.501 -0.390 -0.989 224 HD1 PHE 23 1HD PHE 23 -2.432 -0.583 0.234 225 HD2 PHE 23 2HD PHE 23 0.211 -3.908 0.008 226 HE1 PHE 23 1HE PHE 23 -3.827 -1.792 1.854 227 HE2 PHE 23 2HE PHE 23 -1.179 -5.129 1.630 228 HZ PHE 23 HZ PHE 23 -3.202 -4.071 2.558 229 H ALA 24 H ALA 24 -0.946 -0.307 -4.159 230 HA ALA 24 HA ALA 24 -3.792 -0.622 -3.770 231 1HB ALA 24 1HB ALA 24 -3.103 1.597 -4.107 232 2HB ALA 24 2HB ALA 24 -3.906 1.120 -5.604 233 3HB ALA 24 3HB ALA 24 -2.145 1.173 -5.525 234 H LYS 25 H LYS 25 -2.824 -3.001 -4.555 235 HA LYS 25 HA LYS 25 -2.960 -3.446 -7.379 236 1HB LYS 25 2HB LYS 25 -3.380 -5.886 -6.432 237 2HB LYS 25 1HB LYS 25 -1.790 -5.142 -6.326 238 1HG LYS 25 2HG LYS 25 -1.837 -5.525 -4.140 239 2HG LYS 25 1HG LYS 25 -3.128 -4.320 -4.013 240 1HD LYS 25 2HD LYS 25 -3.831 -6.381 -2.963 241 2HD LYS 25 1HD LYS 25 -4.785 -6.108 -4.423 242 1HE LYS 25 2HE LYS 25 -3.350 -7.675 -5.644 243 2HE LYS 25 1HE LYS 25 -2.405 -7.947 -4.181 244 1HZ LYS 25 1HZ LYS 25 -4.811 -8.512 -3.263 245 2HZ LYS 25 2HZ LYS 25 -3.829 -9.675 -4.003 246 3HZ LYS 25 3HZ LYS 25 -5.058 -8.921 -4.887 247 H PHE 26 H PHE 26 -5.020 -4.413 -4.701 248 HA PHE 26 HA PHE 26 -7.396 -4.308 -6.428 249 1HB PHE 26 2HB PHE 26 -7.225 -6.513 -5.574 250 2HB PHE 26 1HB PHE 26 -6.658 -5.940 -4.010 251 HD1 PHE 26 1HD PHE 26 -8.166 -5.384 -2.280 252 HD2 PHE 26 2HD PHE 26 -9.619 -6.302 -6.172 253 HE1 PHE 26 1HE PHE 26 -10.452 -5.534 -1.385 254 HE2 PHE 26 2HE PHE 26 -11.909 -6.451 -5.286 255 HZ PHE 26 HZ PHE 26 -12.329 -6.067 -2.889 256 H GLU 27 H GLU 27 -5.644 -3.046 -3.878 257 HA GLU 27 HA GLU 27 -7.545 -1.915 -2.189 258 1HB GLU 27 2HB GLU 27 -4.685 -1.526 -2.822 259 2HB GLU 27 1HB GLU 27 -5.480 -0.177 -2.041 260 1HG GLU 27 2HG GLU 27 -5.001 -2.933 -1.026 261 2HG GLU 27 1HG GLU 27 -4.618 -1.382 -0.272 262 H GLU 28 H GLU 28 -6.194 -0.805 -5.246 263 HA GLU 28 HA GLU 28 -7.075 1.847 -5.190 264 1HB GLU 28 2HB GLU 28 -6.925 1.777 -7.638 265 2HB GLU 28 1HB GLU 28 -5.530 1.010 -6.892 266 1HG GLU 28 2HG GLU 28 -6.798 -1.188 -7.227 267 2HG GLU 28 1HG GLU 28 -7.831 -0.267 -8.319 268 H GLU 29 H GLU 29 -8.759 -1.128 -5.705 269 HA GLU 29 HA GLU 29 -11.172 0.193 -6.657 270 1HB GLU 29 2HB GLU 29 -11.196 -1.785 -7.756 271 2HB GLU 29 1HB GLU 29 -10.129 -2.552 -6.590 272 1HG GLU 29 2HG GLU 29 -11.893 -3.177 -5.206 273 2HG GLU 29 1HG GLU 29 -13.011 -2.041 -5.961 274 H ARG 30 H ARG 30 -9.923 -1.473 -3.816 275 HA ARG 30 HA ARG 30 -12.348 -1.451 -2.334 276 1HB ARG 30 2HB ARG 30 -9.808 -2.528 -1.989 277 2HB ARG 30 1HB ARG 30 -9.927 -1.324 -0.713 278 1HG ARG 30 2HG ARG 30 -12.198 -3.199 -1.101 279 2HG ARG 30 1HG ARG 30 -10.721 -3.802 -0.347 280 1HD ARG 30 2HD ARG 30 -12.412 -1.480 0.572 281 2HD ARG 30 1HD ARG 30 -12.244 -3.046 1.364 282 HE ARG 30 HE ARG 30 -9.890 -1.325 1.032 283 1HH1 ARG 30 1HH1 ARG 30 -12.197 -2.932 3.092 284 2HH1 ARG 30 2HH1 ARG 30 -11.294 -2.646 4.542 285 1HH2 ARG 30 1HH2 ARG 30 -8.698 -0.943 2.935 286 2HH2 ARG 30 2HH2 ARG 30 -9.306 -1.516 4.453 287 H ALA 31 H ALA 31 -10.182 0.932 -3.258 288 HA ALA 31 HA ALA 31 -11.078 2.773 -1.148 289 1HB ALA 31 1HB ALA 31 -8.491 2.261 -2.229 290 2HB ALA 31 2HB ALA 31 -8.949 3.406 -0.968 291 3HB ALA 31 3HB ALA 31 -8.958 3.907 -2.659 292 H ARG 32 H ARG 32 -11.749 1.798 -4.148 293 HA ARG 32 HA ARG 32 -12.266 4.416 -5.330 294 1HB ARG 32 2HB ARG 32 -11.585 1.916 -6.376 295 2HB ARG 32 1HB ARG 32 -13.282 2.114 -6.786 296 1HG ARG 32 2HG ARG 32 -11.703 2.903 -8.532 297 2HG ARG 32 1HG ARG 32 -12.844 4.128 -7.976 298 1HD ARG 32 2HD ARG 32 -10.840 4.638 -6.291 299 2HD ARG 32 1HD ARG 32 -9.904 3.959 -7.624 300 HE ARG 32 HE ARG 32 -11.540 6.392 -7.713 301 1HH1 ARG 32 1HH1 ARG 32 -9.226 4.247 -9.196 302 2HH1 ARG 32 2HH1 ARG 32 -8.821 5.354 -10.465 303 1HH2 ARG 32 1HH2 ARG 32 -11.023 7.848 -9.381 304 2HH2 ARG 32 2HH2 ARG 32 -9.844 7.402 -10.570 305 H ALA 33 H ALA 33 -14.102 1.420 -4.792 306 HA ALA 33 HA ALA 33 -16.614 2.388 -5.283 307 1HB ALA 33 1HB ALA 33 -16.178 0.034 -4.963 308 2HB ALA 33 2HB ALA 33 -17.448 0.557 -3.856 309 3HB ALA 33 3HB ALA 33 -15.807 0.304 -3.260 310 H LYS 34 H LYS 34 -14.604 3.238 -2.612 311 HA LYS 34 HA LYS 34 -16.675 3.868 -0.776 312 1HB LYS 34 2HB LYS 34 -14.551 5.678 -0.317 313 2HB LYS 34 1HB LYS 34 -14.960 4.238 0.593 314 1HG LYS 34 2HG LYS 34 -13.364 2.953 -0.470 315 2HG LYS 34 1HG LYS 34 -13.266 4.025 -1.872 316 1HD LYS 34 2HD LYS 34 -11.295 4.404 -0.623 317 2HD LYS 34 1HD LYS 34 -12.350 5.783 -0.304 318 1HE LYS 34 2HE LYS 34 -11.565 5.239 1.808 319 2HE LYS 34 1HE LYS 34 -13.122 4.412 1.749 320 1HZ LYS 34 1HZ LYS 34 -11.213 2.661 0.732 321 2HZ LYS 34 2HZ LYS 34 -12.065 2.533 2.187 322 3HZ LYS 34 3HZ LYS 34 -10.564 3.311 2.153 323 H TRP 35 H TRP 35 -14.754 5.934 -2.936 324 HA TRP 35 HA TRP 35 -16.688 8.086 -2.613 325 1HB TRP 35 2HB TRP 35 -15.042 9.355 -4.040 326 2HB TRP 35 1HB TRP 35 -14.407 8.799 -2.496 327 HD1 TRP 35 HD TRP 35 -14.690 6.890 -5.848 328 HE1 TRP 35 1HE TRP 35 -12.369 6.084 -6.482 329 HE3 TRP 35 3HE TRP 35 -12.021 8.949 -2.008 330 HZ2 TRP 35 2HZ TRP 35 -9.717 6.256 -5.511 331 HZ3 TRP 35 3HZ TRP 35 -9.591 8.572 -1.931 332 HH2 TRP 35 HH TRP 35 -8.466 7.250 -3.646 333 H ASP 36 H ASP 36 -16.312 5.435 -4.515 334 HA ASP 36 HA ASP 36 -17.482 6.679 -6.902 335 1HB ASP 36 2HB ASP 36 -15.425 4.816 -6.613 336 2HB ASP 36 1HB ASP 36 -16.811 3.855 -7.138 Start of MODEL 6 1 1H MET 1 1HT MET 1 14.154 -5.126 -3.127 2 2H MET 1 2HT MET 1 14.740 -6.259 -2.017 3 3H MET 1 3HT MET 1 15.423 -6.157 -3.562 4 HA MET 1 HA MET 1 16.852 -4.625 -2.925 5 1HB MET 1 2HB MET 1 14.475 -3.213 -1.713 6 2HB MET 1 1HB MET 1 16.059 -2.496 -1.972 7 1HG MET 1 2HG MET 1 14.277 -3.560 -4.150 8 2HG MET 1 1HG MET 1 14.403 -1.865 -3.683 9 1HE MET 1 1HE MET 1 17.047 -1.502 -2.868 10 2HE MET 1 2HE MET 1 17.264 -0.483 -4.291 11 3HE MET 1 3HE MET 1 18.396 -1.797 -3.967 12 H TRP 2 H TRP 2 15.199 -3.553 -0.126 13 HA TRP 2 HA TRP 2 16.994 -5.138 1.577 14 1HB TRP 2 2HB TRP 2 15.993 -2.733 2.792 15 2HB TRP 2 1HB TRP 2 17.663 -3.197 2.493 16 HD1 TRP 2 HD TRP 2 18.879 -1.978 0.541 17 HE1 TRP 2 1HE TRP 2 18.205 -0.117 -1.102 18 HE3 TRP 2 3HE TRP 2 13.829 -1.859 1.427 19 HZ2 TRP 2 2HZ TRP 2 15.844 1.205 -1.874 20 HZ3 TRP 2 3HZ TRP 2 12.471 -0.243 0.180 21 HH2 TRP 2 HH TRP 2 13.471 1.252 -1.435 22 H LYS 3 H LYS 3 14.436 -3.009 2.657 23 HA LYS 3 HA LYS 3 13.133 -5.205 4.052 24 1HB LYS 3 2HB LYS 3 11.917 -3.512 5.223 25 2HB LYS 3 1HB LYS 3 13.584 -2.954 5.144 26 1HG LYS 3 2HG LYS 3 11.840 -2.068 2.947 27 2HG LYS 3 1HG LYS 3 11.416 -1.456 4.543 28 1HD LYS 3 2HD LYS 3 13.625 -0.526 4.821 29 2HD LYS 3 1HD LYS 3 14.152 -1.255 3.307 30 1HE LYS 3 2HE LYS 3 13.666 1.126 3.041 31 2HE LYS 3 1HE LYS 3 12.605 0.114 2.049 32 1HZ LYS 3 1HZ LYS 3 10.840 0.955 3.076 33 2HZ LYS 3 2HZ LYS 3 11.853 2.062 3.857 34 3HZ LYS 3 3HZ LYS 3 11.462 0.598 4.608 35 H VAL 4 H VAL 4 12.859 -3.132 1.392 36 HA VAL 4 HA VAL 4 10.334 -2.853 0.703 37 HB VAL 4 HB VAL 4 12.565 -2.399 -0.599 38 1HG1 VAL 4 1HG1 VAL 4 11.596 -5.015 -1.712 39 2HG1 VAL 4 2HG1 VAL 4 13.238 -4.529 -1.281 40 3HG1 VAL 4 3HG1 VAL 4 12.473 -3.864 -2.724 41 1HG2 VAL 4 1HG2 VAL 4 11.294 -1.438 -2.204 42 2HG2 VAL 4 2HG2 VAL 4 10.016 -1.825 -1.053 43 3HG2 VAL 4 3HG2 VAL 4 10.300 -2.877 -2.440 44 H GLY 5 H GLY 5 12.172 -5.859 0.219 45 1HA GLY 5 2HA GLY 5 10.550 -7.348 -1.289 46 2HA GLY 5 1HA GLY 5 11.359 -8.037 0.113 47 H PHE 6 H PHE 6 9.968 -6.799 2.160 48 HA PHE 6 HA PHE 6 7.232 -7.694 1.636 49 1HB PHE 6 2HB PHE 6 7.253 -8.179 4.212 50 2HB PHE 6 1HB PHE 6 7.940 -9.353 3.093 51 HD1 PHE 6 1HD PHE 6 8.807 -6.585 5.395 52 HD2 PHE 6 2HD PHE 6 10.183 -10.001 3.261 53 HE1 PHE 6 1HE PHE 6 10.940 -6.485 6.616 54 HE2 PHE 6 2HE PHE 6 12.319 -9.907 4.478 55 HZ PHE 6 HZ PHE 6 12.699 -8.147 6.159 56 H PHE 7 H PHE 7 8.867 -5.035 1.857 57 HA PHE 7 HA PHE 7 7.166 -3.697 3.824 58 1HB PHE 7 2HB PHE 7 9.811 -3.446 3.401 59 2HB PHE 7 1HB PHE 7 9.215 -2.167 2.349 60 HD1 PHE 7 1HD PHE 7 7.926 -3.320 5.652 61 HD2 PHE 7 2HD PHE 7 9.714 -0.193 3.394 62 HE1 PHE 7 1HE PHE 7 7.685 -1.801 7.572 63 HE2 PHE 7 2HE PHE 7 9.491 1.331 5.304 64 HZ PHE 7 HZ PHE 7 8.468 0.530 7.403 65 H LYS 8 H LYS 8 8.035 -3.523 0.390 66 HA LYS 8 HA LYS 8 6.486 -1.264 -0.164 67 1HB LYS 8 2HB LYS 8 6.540 -2.083 -2.552 68 2HB LYS 8 1HB LYS 8 8.082 -1.815 -1.753 69 1HG LYS 8 2HG LYS 8 7.572 -3.946 -3.259 70 2HG LYS 8 1HG LYS 8 8.704 -3.941 -1.921 71 1HD LYS 8 2HD LYS 8 7.522 -5.860 -1.505 72 2HD LYS 8 1HD LYS 8 6.635 -4.690 -0.525 73 1HE LYS 8 2HE LYS 8 5.710 -6.302 -2.710 74 2HE LYS 8 1HE LYS 8 4.800 -5.293 -1.588 75 1HZ LYS 8 1HZ LYS 8 6.138 -4.321 -4.053 76 2HZ LYS 8 2HZ LYS 8 5.197 -3.394 -2.997 77 3HZ LYS 8 3HZ LYS 8 4.481 -4.630 -3.903 78 H ARG 9 H ARG 9 5.525 -4.254 0.824 79 HA ARG 9 HA ARG 9 2.840 -3.954 -0.332 80 1HB ARG 9 2HB ARG 9 3.227 -6.139 -0.843 81 2HB ARG 9 1HB ARG 9 4.512 -6.288 0.343 82 1HG ARG 9 2HG ARG 9 2.282 -6.137 1.923 83 2HG ARG 9 1HG ARG 9 1.698 -7.030 0.517 84 1HD ARG 9 2HD ARG 9 4.319 -7.819 1.664 85 2HD ARG 9 1HD ARG 9 2.870 -8.227 2.582 86 HE ARG 9 HE ARG 9 2.774 -8.970 -0.204 87 1HH1 ARG 9 1HH1 ARG 9 3.649 -9.947 3.024 88 2HH1 ARG 9 2HH1 ARG 9 3.563 -11.641 2.673 89 1HH2 ARG 9 1HH2 ARG 9 2.656 -11.197 -0.674 90 2HH2 ARG 9 2HH2 ARG 9 2.999 -12.352 0.570 91 H ASN 10 H ASN 10 4.804 -3.800 2.414 92 HA ASN 10 HA ASN 10 2.563 -3.802 4.295 93 1HB ASN 10 2HB ASN 10 4.395 -5.228 4.929 94 2HB ASN 10 1HB ASN 10 5.555 -3.924 4.677 95 1HD2 ASN 10 1HD2 ASN 10 6.317 -4.132 6.788 96 2HD2 ASN 10 2HD2 ASN 10 5.416 -3.561 8.147 97 H ARG 11 H ARG 11 5.506 -2.079 4.962 98 HA ARG 11 HA ARG 11 5.908 0.072 5.552 99 1HB ARG 11 2HB ARG 11 5.887 0.467 3.197 100 2HB ARG 11 1HB ARG 11 4.135 0.503 3.167 101 1HG ARG 11 2HG ARG 11 5.272 2.732 2.983 102 2HG ARG 11 1HG ARG 11 4.058 2.601 4.255 103 1HD ARG 11 2HD ARG 11 5.872 3.727 5.241 104 2HD ARG 11 1HD ARG 11 5.980 2.071 5.830 105 HE ARG 11 HE ARG 11 7.673 1.814 3.929 106 1HH1 ARG 11 1HH1 ARG 11 7.154 4.764 5.712 107 2HH1 ARG 11 2HH1 ARG 11 8.777 5.330 5.498 108 1HH2 ARG 11 1HH2 ARG 11 9.812 2.552 3.646 109 2HH2 ARG 11 2HH2 ARG 11 10.286 4.073 4.323 110 1H LYS 12 1HT LYS 12 15.429 4.657 -2.093 111 2H LYS 12 2HT LYS 12 16.683 3.551 -1.846 112 3H LYS 12 3HT LYS 12 16.640 4.990 -0.960 113 HA LYS 12 HA LYS 12 14.841 2.668 -0.748 114 1HB LYS 12 2HB LYS 12 16.983 2.583 0.456 115 2HB LYS 12 1HB LYS 12 16.572 4.085 1.273 116 1HG LYS 12 2HG LYS 12 14.388 2.493 1.788 117 2HG LYS 12 1HG LYS 12 15.744 1.358 1.853 118 1HD LYS 12 2HD LYS 12 16.834 3.298 3.259 119 2HD LYS 12 1HD LYS 12 15.149 3.716 3.565 120 1HE LYS 12 2HE LYS 12 15.009 1.105 4.057 121 2HE LYS 12 1HE LYS 12 16.716 1.346 4.427 122 1HZ LYS 12 1HZ LYS 12 15.806 1.795 6.444 123 2HZ LYS 12 2HZ LYS 12 14.350 2.373 5.807 124 3HZ LYS 12 3HZ LYS 12 15.729 3.353 5.787 125 H LEU 13 H LEU 13 14.808 6.002 -0.830 126 HA LEU 13 HA LEU 13 12.650 6.189 1.112 127 1HB LEU 13 2HB LEU 13 13.837 8.399 -0.559 128 2HB LEU 13 1HB LEU 13 12.825 8.571 0.863 129 HG LEU 13 HG LEU 13 14.842 8.963 1.843 130 1HD1 LEU 13 1HD1 LEU 13 14.736 5.937 1.797 131 2HD1 LEU 13 2HD1 LEU 13 14.067 7.026 3.020 132 3HD1 LEU 13 3HD1 LEU 13 15.813 6.887 2.831 133 1HD2 LEU 13 1HD2 LEU 13 16.962 7.795 1.060 134 2HD2 LEU 13 2HD2 LEU 13 16.236 8.961 -0.045 135 3HD2 LEU 13 3HD2 LEU 13 16.011 7.233 -0.315 136 H LEU 14 H LEU 14 12.652 4.839 -1.572 137 HA LEU 14 HA LEU 14 10.644 6.273 -3.084 138 1HB LEU 14 2HB LEU 14 10.692 4.247 -4.529 139 2HB LEU 14 1HB LEU 14 12.260 5.005 -4.338 140 HG LEU 14 HG LEU 14 11.936 2.959 -2.329 141 1HD1 LEU 14 1HD1 LEU 14 12.134 1.196 -4.371 142 2HD1 LEU 14 2HD1 LEU 14 10.942 2.321 -5.022 143 3HD1 LEU 14 3HD1 LEU 14 10.648 1.521 -3.478 144 1HD2 LEU 14 1HD2 LEU 14 13.906 2.063 -3.858 145 2HD2 LEU 14 2HD2 LEU 14 14.113 3.454 -2.793 146 3HD2 LEU 14 3HD2 LEU 14 13.813 3.698 -4.513 147 H ILE 15 H ILE 15 10.933 3.838 -0.695 148 HA ILE 15 HA ILE 15 8.351 2.673 -0.983 149 HB ILE 15 HB ILE 15 10.504 2.555 1.120 150 1HG1 ILE 15 2HG1 ILE 15 10.832 1.318 -0.957 151 2HG1 ILE 15 1HG1 ILE 15 10.603 0.211 0.395 152 1HG2 ILE 15 1HG2 ILE 15 8.303 0.635 1.406 153 2HG2 ILE 15 2HG2 ILE 15 7.894 2.292 1.854 154 3HG2 ILE 15 3HG2 ILE 15 9.243 1.475 2.641 155 1HD1 ILE 15 1HD1 ILE 15 8.575 -0.505 -0.357 156 2HD1 ILE 15 2HD1 ILE 15 9.379 -0.161 -1.889 157 3HD1 ILE 15 3HD1 ILE 15 8.234 0.997 -1.213 158 H THR 16 H THR 16 9.310 5.670 0.039 159 HA THR 16 HA THR 16 7.488 6.034 2.224 160 HB THR 16 HB THR 16 8.652 8.260 0.571 161 HG1 THR 16 1HG THR 16 9.971 6.787 2.603 162 1HG2 THR 16 1HG2 THR 16 8.506 9.575 2.446 163 2HG2 THR 16 2HG2 THR 16 8.483 8.195 3.544 164 3HG2 THR 16 3HG2 THR 16 7.054 8.585 2.586 165 H ILE 17 H ILE 17 7.423 6.631 -1.258 166 HA ILE 17 HA ILE 17 4.593 7.394 -0.973 167 HB ILE 17 HB ILE 17 6.564 8.998 -1.989 168 1HG1 ILE 17 2HG1 ILE 17 4.357 9.705 -1.211 169 2HG1 ILE 17 1HG1 ILE 17 4.727 10.419 -2.777 170 1HG2 ILE 17 1HG2 ILE 17 5.332 7.491 -4.255 171 2HG2 ILE 17 2HG2 ILE 17 7.009 7.980 -4.009 172 3HG2 ILE 17 3HG2 ILE 17 5.798 9.181 -4.457 173 1HD1 ILE 17 1HD1 ILE 17 3.285 7.894 -2.965 174 2HD1 ILE 17 2HD1 ILE 17 2.977 9.444 -3.748 175 3HD1 ILE 17 3HD1 ILE 17 2.403 9.157 -2.105 176 H HIS 18 H HIS 18 6.940 5.692 -3.014 177 HA HIS 18 HA HIS 18 5.059 4.759 -4.904 178 1HB HIS 18 2HB HIS 18 7.004 4.355 -5.910 179 2HB HIS 18 1HB HIS 18 7.886 4.466 -4.397 180 HD1 HIS 18 1HD HIS 18 8.180 2.167 -3.070 181 HD2 HIS 18 2HD HIS 18 6.737 1.849 -6.954 182 HE1 HIS 18 1HE HIS 18 8.528 -0.235 -3.722 183 HE2 HIS 18 2HE HIS 18 7.569 -0.423 -6.043 184 H ASP 19 H ASP 19 5.586 3.882 -1.695 185 HA ASP 19 HA ASP 19 4.750 1.135 -1.934 186 1HB ASP 19 2HB ASP 19 6.206 2.304 -0.077 187 2HB ASP 19 1HB ASP 19 4.637 2.638 0.648 188 H ARG 20 H ARG 20 3.260 4.222 -1.560 189 HA ARG 20 HA ARG 20 0.800 3.353 -0.440 190 1HB ARG 20 2HB ARG 20 1.940 5.824 -1.433 191 2HB ARG 20 1HB ARG 20 0.247 5.663 -1.879 192 1HG ARG 20 2HG ARG 20 -0.010 6.669 0.134 193 2HG ARG 20 1HG ARG 20 0.034 4.992 0.679 194 1HD ARG 20 2HD ARG 20 2.706 5.798 0.544 195 2HD ARG 20 1HD ARG 20 1.845 7.162 1.257 196 HE ARG 20 HE ARG 20 1.705 4.421 2.338 197 1HH1 ARG 20 1HH1 ARG 20 1.937 7.874 2.755 198 2HH1 ARG 20 2HH1 ARG 20 1.942 7.793 4.485 199 1HH2 ARG 20 1HH2 ARG 20 1.710 4.308 4.614 200 2HH2 ARG 20 2HH2 ARG 20 1.813 5.768 5.542 201 H LYS 21 H LYS 21 2.179 2.816 -3.403 202 HA LYS 21 HA LYS 21 -0.436 2.410 -4.696 203 1HB LYS 21 2HB LYS 21 1.684 2.338 -6.602 204 2HB LYS 21 1HB LYS 21 0.335 3.464 -6.504 205 1HG LYS 21 2HG LYS 21 1.562 5.054 -5.423 206 2HG LYS 21 1HG LYS 21 2.680 3.880 -4.723 207 1HD LYS 21 2HD LYS 21 4.011 4.845 -6.337 208 2HD LYS 21 1HD LYS 21 3.346 3.472 -7.220 209 1HE LYS 21 2HE LYS 21 3.132 5.301 -8.678 210 2HE LYS 21 1HE LYS 21 1.521 5.053 -8.006 211 1HZ LYS 21 1HZ LYS 21 1.622 7.228 -7.567 212 2HZ LYS 21 2HZ LYS 21 3.305 7.300 -7.726 213 3HZ LYS 21 3HZ LYS 21 2.616 6.796 -6.266 214 H GLU 22 H GLU 22 2.656 1.088 -3.866 215 HA GLU 22 HA GLU 22 2.598 -1.247 -5.420 216 1HB GLU 22 2HB GLU 22 4.111 -0.208 -3.108 217 2HB GLU 22 1HB GLU 22 4.084 -1.954 -3.275 218 1HG GLU 22 2HG GLU 22 4.741 -0.275 -5.640 219 2HG GLU 22 1HG GLU 22 5.957 -0.518 -4.378 220 H PHE 23 H PHE 23 0.466 -0.334 -3.110 221 HA PHE 23 HA PHE 23 -0.082 -3.105 -2.281 222 1HB PHE 23 2HB PHE 23 0.481 -1.699 -0.370 223 2HB PHE 23 1HB PHE 23 -0.734 -0.520 -0.851 224 HD1 PHE 23 1HD PHE 23 -2.911 -0.681 -0.058 225 HD2 PHE 23 2HD PHE 23 -0.330 -4.052 0.226 226 HE1 PHE 23 1HE PHE 23 -4.593 -1.848 1.306 227 HE2 PHE 23 2HE PHE 23 -2.008 -5.226 1.589 228 HZ PHE 23 HZ PHE 23 -4.142 -4.125 2.131 229 H ALA 24 H ALA 24 -1.558 -0.023 -3.208 230 HA ALA 24 HA ALA 24 -4.150 -1.266 -3.546 231 1HB ALA 24 1HB ALA 24 -4.464 0.879 -2.815 232 2HB ALA 24 2HB ALA 24 -4.599 1.124 -4.557 233 3HB ALA 24 3HB ALA 24 -3.093 1.511 -3.727 234 H LYS 25 H LYS 25 -2.438 -2.609 -5.063 235 HA LYS 25 HA LYS 25 -2.268 -1.685 -7.765 236 1HB LYS 25 2HB LYS 25 -1.765 -4.177 -8.143 237 2HB LYS 25 1HB LYS 25 -0.661 -3.304 -7.087 238 1HG LYS 25 2HG LYS 25 -2.426 -4.193 -5.253 239 2HG LYS 25 1HG LYS 25 -2.564 -5.473 -6.465 240 1HD LYS 25 2HD LYS 25 -0.060 -4.560 -5.057 241 2HD LYS 25 1HD LYS 25 -0.899 -6.101 -4.858 242 1HE LYS 25 2HE LYS 25 -0.403 -5.939 -7.583 243 2HE LYS 25 1HE LYS 25 1.062 -5.298 -6.839 244 1HZ LYS 25 1HZ LYS 25 1.675 -7.354 -6.354 245 2HZ LYS 25 2HZ LYS 25 0.276 -7.968 -7.080 246 3HZ LYS 25 3HZ LYS 25 0.276 -7.590 -5.431 247 H PHE 26 H PHE 26 -4.061 -4.180 -6.114 248 HA PHE 26 HA PHE 26 -6.314 -3.931 -7.974 249 1HB PHE 26 2HB PHE 26 -5.909 -6.091 -8.447 250 2HB PHE 26 1HB PHE 26 -4.660 -6.161 -7.223 251 HD1 PHE 26 1HD PHE 26 -5.046 -7.103 -5.089 252 HD2 PHE 26 2HD PHE 26 -8.217 -6.771 -7.906 253 HE1 PHE 26 1HE PHE 26 -6.398 -8.637 -3.732 254 HE2 PHE 26 2HE PHE 26 -9.585 -8.305 -6.552 255 HZ PHE 26 HZ PHE 26 -8.677 -9.241 -4.460 256 H GLU 27 H GLU 27 -5.049 -3.672 -4.914 257 HA GLU 27 HA GLU 27 -7.154 -4.350 -3.204 258 1HB GLU 27 2HB GLU 27 -4.700 -2.670 -3.077 259 2HB GLU 27 1HB GLU 27 -5.894 -2.442 -1.821 260 1HG GLU 27 2HG GLU 27 -4.218 -4.825 -2.431 261 2HG GLU 27 1HG GLU 27 -4.478 -3.994 -0.893 262 H GLU 28 H GLU 28 -6.512 -1.539 -5.168 263 HA GLU 28 HA GLU 28 -8.440 0.158 -3.893 264 1HB GLU 28 2HB GLU 28 -7.979 1.729 -5.635 265 2HB GLU 28 1HB GLU 28 -6.450 0.984 -5.189 266 1HG GLU 28 2HG GLU 28 -6.896 -0.614 -7.150 267 2HG GLU 28 1HG GLU 28 -8.088 0.581 -7.659 268 H GLU 29 H GLU 29 -8.748 -2.538 -5.732 269 HA GLU 29 HA GLU 29 -11.362 -1.694 -6.800 270 1HB GLU 29 2HB GLU 29 -9.692 -3.949 -7.908 271 2HB GLU 29 1HB GLU 29 -11.098 -3.184 -8.638 272 1HG GLU 29 2HG GLU 29 -8.560 -1.680 -8.115 273 2HG GLU 29 1HG GLU 29 -8.817 -2.609 -9.592 274 H ARG 30 H ARG 30 -9.723 -3.631 -4.616 275 HA ARG 30 HA ARG 30 -11.852 -5.643 -4.489 276 1HB ARG 30 2HB ARG 30 -9.829 -6.770 -4.500 277 2HB ARG 30 1HB ARG 30 -9.015 -5.536 -3.549 278 1HG ARG 30 2HG ARG 30 -9.187 -7.295 -2.065 279 2HG ARG 30 1HG ARG 30 -10.588 -6.304 -1.652 280 1HD ARG 30 2HD ARG 30 -11.653 -7.896 -3.553 281 2HD ARG 30 1HD ARG 30 -10.454 -8.987 -2.856 282 HE ARG 30 HE ARG 30 -12.788 -7.859 -1.510 283 1HH1 ARG 30 1HH1 ARG 30 -9.920 -9.833 -1.369 284 2HH1 ARG 30 2HH1 ARG 30 -10.375 -10.616 0.107 285 1HH2 ARG 30 1HH2 ARG 30 -13.392 -8.876 0.433 286 2HH2 ARG 30 2HH2 ARG 30 -12.355 -10.075 1.132 287 H ALA 31 H ALA 31 -10.558 -2.911 -2.826 288 HA ALA 31 HA ALA 31 -12.317 -3.446 -0.533 289 1HB ALA 31 1HB ALA 31 -10.345 -1.291 -0.249 290 2HB ALA 31 2HB ALA 31 -9.653 -2.900 -0.457 291 3HB ALA 31 3HB ALA 31 -10.779 -2.589 0.864 292 H ARG 32 H ARG 32 -12.367 -1.924 -3.342 293 HA ARG 32 HA ARG 32 -13.608 0.553 -2.375 294 1HB ARG 32 2HB ARG 32 -11.913 0.038 -4.514 295 2HB ARG 32 1HB ARG 32 -13.497 0.180 -5.263 296 1HG ARG 32 2HG ARG 32 -12.255 2.307 -5.193 297 2HG ARG 32 1HG ARG 32 -13.799 2.377 -4.343 298 1HD ARG 32 2HD ARG 32 -12.235 1.673 -2.299 299 2HD ARG 32 1HD ARG 32 -11.032 2.508 -3.284 300 HE ARG 32 HE ARG 32 -13.381 3.691 -2.015 301 1HH1 ARG 32 1HH1 ARG 32 -10.563 4.074 -4.028 302 2HH1 ARG 32 2HH1 ARG 32 -10.561 5.802 -3.918 303 1HH2 ARG 32 1HH2 ARG 32 -13.390 5.961 -1.868 304 2HH2 ARG 32 2HH2 ARG 32 -12.168 6.876 -2.688 305 H ALA 33 H ALA 33 -14.237 -1.961 -4.808 306 HA ALA 33 HA ALA 33 -16.865 -1.350 -5.331 307 1HB ALA 33 1HB ALA 33 -15.088 -3.498 -5.878 308 2HB ALA 33 2HB ALA 33 -16.558 -3.032 -6.738 309 3HB ALA 33 3HB ALA 33 -16.646 -4.172 -5.394 310 H LYS 34 H LYS 34 -15.602 -2.597 -2.385 311 HA LYS 34 HA LYS 34 -17.913 -4.008 -1.540 312 1HB LYS 34 2HB LYS 34 -16.700 -2.912 0.767 313 2HB LYS 34 1HB LYS 34 -16.607 -4.559 0.176 314 1HG LYS 34 2HG LYS 34 -14.538 -4.239 -0.785 315 2HG LYS 34 1HG LYS 34 -14.737 -2.489 -0.919 316 1HD LYS 34 2HD LYS 34 -13.169 -2.924 0.839 317 2HD LYS 34 1HD LYS 34 -14.670 -2.363 1.574 318 1HE LYS 34 2HE LYS 34 -15.088 -5.036 1.552 319 2HE LYS 34 1HE LYS 34 -13.336 -4.984 1.743 320 1HZ LYS 34 1HZ LYS 34 -14.229 -3.117 3.503 321 2HZ LYS 34 2HZ LYS 34 -13.767 -4.696 3.895 322 3HZ LYS 34 3HZ LYS 34 -15.398 -4.335 3.627 323 H TRP 35 H TRP 35 -16.780 -0.710 -0.957 324 HA TRP 35 HA TRP 35 -19.424 0.000 0.085 325 1HB TRP 35 2HB TRP 35 -18.265 2.130 0.759 326 2HB TRP 35 1HB TRP 35 -17.647 0.683 1.546 327 HD1 TRP 35 HD TRP 35 -16.742 2.161 -1.909 328 HE1 TRP 35 1HE TRP 35 -14.236 2.555 -1.960 329 HE3 TRP 35 3HE TRP 35 -15.588 0.765 2.871 330 HZ2 TRP 35 2HZ TRP 35 -12.009 2.316 -0.233 331 HZ3 TRP 35 3HZ TRP 35 -13.235 0.872 3.587 332 HH2 TRP 35 HH TRP 35 -11.485 1.628 2.065 333 H ASP 36 H ASP 36 -17.830 -0.095 -2.758 334 HA ASP 36 HA ASP 36 -19.138 2.319 -3.816 335 1HB ASP 36 2HB ASP 36 -16.472 1.298 -4.101 336 2HB ASP 36 1HB ASP 36 -17.260 1.287 -5.683 Start of MODEL 7 1 1H MET 1 1HT MET 1 15.005 -5.451 -1.873 2 2H MET 1 2HT MET 1 16.175 -5.664 -3.076 3 3H MET 1 3HT MET 1 14.923 -4.551 -3.305 4 HA MET 1 HA MET 1 17.275 -3.753 -2.585 5 1HB MET 1 2HB MET 1 14.697 -2.764 -1.366 6 2HB MET 1 1HB MET 1 16.184 -1.834 -1.483 7 1HG MET 1 2HG MET 1 14.593 -2.884 -3.813 8 2HG MET 1 1HG MET 1 14.567 -1.227 -3.213 9 1HE MET 1 1HE MET 1 17.042 -0.627 -2.311 10 2HE MET 1 2HE MET 1 17.575 0.340 -3.687 11 3HE MET 1 3HE MET 1 18.525 -1.052 -3.165 12 H TRP 2 H TRP 2 15.371 -3.205 0.217 13 HA TRP 2 HA TRP 2 17.294 -4.701 1.861 14 1HB TRP 2 2HB TRP 2 16.004 -2.530 3.226 15 2HB TRP 2 1HB TRP 2 17.722 -2.778 2.946 16 HD1 TRP 2 HD TRP 2 18.838 -1.302 1.096 17 HE1 TRP 2 1HE TRP 2 17.993 0.614 -0.400 18 HE3 TRP 2 3HE TRP 2 13.797 -1.751 1.911 19 HZ2 TRP 2 2HZ TRP 2 15.512 1.764 -1.092 20 HZ3 TRP 2 3HZ TRP 2 12.292 -0.168 0.782 21 HH2 TRP 2 HH TRP 2 13.149 1.538 -0.689 22 H LYS 3 H LYS 3 14.464 -2.949 2.947 23 HA LYS 3 HA LYS 3 13.330 -5.396 4.069 24 1HB LYS 3 2HB LYS 3 11.938 -3.965 5.391 25 2HB LYS 3 1HB LYS 3 13.564 -3.300 5.471 26 1HG LYS 3 2HG LYS 3 11.801 -2.226 3.358 27 2HG LYS 3 1HG LYS 3 11.359 -1.839 5.020 28 1HD LYS 3 2HD LYS 3 13.518 -0.847 5.416 29 2HD LYS 3 1HD LYS 3 14.086 -1.371 3.834 30 1HE LYS 3 2HE LYS 3 13.513 0.992 3.816 31 2HE LYS 3 1HE LYS 3 12.466 0.063 2.733 32 1HZ LYS 3 1HZ LYS 3 10.718 0.826 3.838 33 2HZ LYS 3 2HZ LYS 3 11.725 1.749 4.836 34 3HZ LYS 3 3HZ LYS 3 11.294 0.178 5.290 35 H VAL 4 H VAL 4 13.004 -3.094 1.637 36 HA VAL 4 HA VAL 4 10.487 -2.878 0.887 37 HB VAL 4 HB VAL 4 12.711 -2.165 -0.287 38 1HG1 VAL 4 1HG1 VAL 4 11.980 -4.735 -1.671 39 2HG1 VAL 4 2HG1 VAL 4 13.558 -4.205 -1.086 40 3HG1 VAL 4 3HG1 VAL 4 12.847 -3.448 -2.512 41 1HG2 VAL 4 1HG2 VAL 4 10.187 -1.682 -0.796 42 2HG2 VAL 4 2HG2 VAL 4 10.508 -2.688 -2.210 43 3HG2 VAL 4 3HG2 VAL 4 11.450 -1.223 -1.936 44 H GLY 5 H GLY 5 12.502 -5.722 0.190 45 1HA GLY 5 2HA GLY 5 11.039 -7.134 -1.526 46 2HA GLY 5 1HA GLY 5 11.804 -7.918 -0.151 47 H PHE 6 H PHE 6 10.262 -6.982 1.918 48 HA PHE 6 HA PHE 6 7.597 -7.907 1.152 49 1HB PHE 6 2HB PHE 6 7.361 -9.151 3.156 50 2HB PHE 6 1HB PHE 6 8.953 -9.559 2.529 51 HD1 PHE 6 1HD PHE 6 10.684 -7.463 3.423 52 HD2 PHE 6 2HD PHE 6 7.382 -9.241 5.434 53 HE1 PHE 6 1HE PHE 6 11.680 -6.855 5.588 54 HE2 PHE 6 2HE PHE 6 8.371 -8.633 7.602 55 HZ PHE 6 HZ PHE 6 10.521 -7.438 7.682 56 H PHE 7 H PHE 7 9.091 -5.231 1.747 57 HA PHE 7 HA PHE 7 7.279 -4.192 3.784 58 1HB PHE 7 2HB PHE 7 9.889 -3.744 3.501 59 2HB PHE 7 1HB PHE 7 9.282 -2.448 2.479 60 HD1 PHE 7 1HD PHE 7 9.563 -0.486 3.619 61 HD2 PHE 7 2HD PHE 7 7.939 -3.842 5.663 62 HE1 PHE 7 1HE PHE 7 9.142 0.926 5.584 63 HE2 PHE 7 2HE PHE 7 7.505 -2.439 7.635 64 HZ PHE 7 HZ PHE 7 8.110 -0.050 7.599 65 H LYS 8 H LYS 8 8.225 -3.568 0.444 66 HA LYS 8 HA LYS 8 6.562 -1.373 0.062 67 1HB LYS 8 2HB LYS 8 6.774 -1.900 -2.377 68 2HB LYS 8 1HB LYS 8 8.276 -1.738 -1.476 69 1HG LYS 8 2HG LYS 8 7.708 -3.728 -3.243 70 2HG LYS 8 1HG LYS 8 8.940 -3.778 -1.998 71 1HD LYS 8 2HD LYS 8 7.958 -5.701 -1.432 72 2HD LYS 8 1HD LYS 8 6.811 -4.650 -0.596 73 1HE LYS 8 2HE LYS 8 6.431 -6.362 -2.915 74 2HE LYS 8 1HE LYS 8 5.258 -5.688 -1.789 75 1HZ LYS 8 1HZ LYS 8 5.566 -3.534 -3.042 76 2HZ LYS 8 2HZ LYS 8 4.743 -4.763 -3.861 77 3HZ LYS 8 3HZ LYS 8 6.361 -4.439 -4.231 78 H ARG 9 H ARG 9 5.669 -4.464 0.750 79 HA ARG 9 HA ARG 9 3.030 -4.119 -0.492 80 1HB ARG 9 2HB ARG 9 3.445 -6.211 -1.258 81 2HB ARG 9 1HB ARG 9 4.759 -6.462 -0.121 82 1HG ARG 9 2HG ARG 9 2.215 -6.498 1.230 83 2HG ARG 9 1HG ARG 9 2.250 -7.663 -0.095 84 1HD ARG 9 2HD ARG 9 4.519 -8.380 0.854 85 2HD ARG 9 1HD ARG 9 4.054 -7.480 2.297 86 HE ARG 9 HE ARG 9 1.979 -9.241 1.598 87 1HH1 ARG 9 1HH1 ARG 9 5.224 -9.280 2.867 88 2HH1 ARG 9 2HH1 ARG 9 4.998 -10.754 3.749 89 1HH2 ARG 9 1HH2 ARG 9 1.672 -11.177 2.758 90 2HH2 ARG 9 2HH2 ARG 9 2.980 -11.832 3.687 91 H ASN 10 H ASN 10 4.905 -4.426 2.341 92 HA ASN 10 HA ASN 10 2.689 -4.868 4.149 93 1HB ASN 10 2HB ASN 10 4.776 -5.927 4.696 94 2HB ASN 10 1HB ASN 10 5.641 -4.392 4.568 95 1HD2 ASN 10 1HD2 ASN 10 6.279 -3.818 6.518 96 2HD2 ASN 10 2HD2 ASN 10 5.330 -3.864 7.958 97 H ARG 11 H ARG 11 5.304 -2.503 4.405 98 HA ARG 11 HA ARG 11 5.351 -0.311 4.969 99 1HB ARG 11 2HB ARG 11 4.042 -0.107 2.858 100 2HB ARG 11 1HB ARG 11 2.575 -0.191 3.817 101 1HG ARG 11 2HG ARG 11 2.702 2.041 3.787 102 2HG ARG 11 1HG ARG 11 3.882 1.811 5.079 103 1HD ARG 11 2HD ARG 11 4.705 1.811 2.196 104 2HD ARG 11 1HD ARG 11 4.511 3.319 3.089 105 HE ARG 11 HE ARG 11 6.569 1.290 3.500 106 1HH1 ARG 11 1HH1 ARG 11 5.063 4.253 4.562 107 2HH1 ARG 11 2HH1 ARG 11 6.428 4.757 5.502 108 1HH2 ARG 11 1HH2 ARG 11 8.367 1.955 4.724 109 2HH2 ARG 11 2HH2 ARG 11 8.305 3.451 5.595 110 1H LYS 12 1HT LYS 12 15.707 4.467 -1.453 111 2H LYS 12 2HT LYS 12 16.972 4.400 -0.330 112 3H LYS 12 3HT LYS 12 15.905 5.712 -0.324 113 HA LYS 12 HA LYS 12 14.800 3.042 0.013 114 1HB LYS 12 2HB LYS 12 16.774 3.105 1.490 115 2HB LYS 12 1HB LYS 12 16.131 4.557 2.252 116 1HG LYS 12 2HG LYS 12 14.031 2.768 2.392 117 2HG LYS 12 1HG LYS 12 15.461 1.773 2.703 118 1HD LYS 12 2HD LYS 12 15.771 2.682 4.711 119 2HD LYS 12 1HD LYS 12 15.532 4.320 4.107 120 1HE LYS 12 2HE LYS 12 13.094 2.696 4.230 121 2HE LYS 12 1HE LYS 12 13.841 3.003 5.797 122 1HZ LYS 12 1HZ LYS 12 12.225 4.707 5.216 123 2HZ LYS 12 2HZ LYS 12 13.093 5.083 3.814 124 3HZ LYS 12 3HZ LYS 12 13.780 5.366 5.334 125 H LEU 13 H LEU 13 14.486 6.342 -0.165 126 HA LEU 13 HA LEU 13 12.150 6.338 1.566 127 1HB LEU 13 2HB LEU 13 13.335 8.637 0.009 128 2HB LEU 13 1HB LEU 13 12.104 8.742 1.257 129 HG LEU 13 HG LEU 13 13.907 9.307 2.527 130 1HD1 LEU 13 1HD1 LEU 13 14.091 6.279 2.532 131 2HD1 LEU 13 2HD1 LEU 13 13.100 7.299 3.587 132 3HD1 LEU 13 3HD1 LEU 13 14.858 7.349 3.719 133 1HD2 LEU 13 1HD2 LEU 13 15.333 8.577 0.284 134 2HD2 LEU 13 2HD2 LEU 13 15.984 7.528 1.545 135 3HD2 LEU 13 3HD2 LEU 13 15.998 9.279 1.759 136 H LEU 14 H LEU 14 12.584 5.050 -1.164 137 HA LEU 14 HA LEU 14 10.584 6.256 -2.846 138 1HB LEU 14 2HB LEU 14 10.854 4.118 -4.157 139 2HB LEU 14 1HB LEU 14 12.313 5.076 -3.978 140 HG LEU 14 HG LEU 14 12.154 3.151 -1.836 141 1HD1 LEU 14 1HD1 LEU 14 11.552 1.248 -2.801 142 2HD1 LEU 14 2HD1 LEU 14 12.613 1.541 -4.179 143 3HD1 LEU 14 3HD1 LEU 14 10.974 2.191 -4.174 144 1HD2 LEU 14 1HD2 LEU 14 14.045 3.522 -4.159 145 2HD2 LEU 14 2HD2 LEU 14 14.341 2.493 -2.757 146 3HD2 LEU 14 3HD2 LEU 14 14.196 4.240 -2.555 147 H ILE 15 H ILE 15 10.681 4.361 -0.127 148 HA ILE 15 HA ILE 15 8.227 2.891 -0.594 149 HB ILE 15 HB ILE 15 9.948 3.061 1.891 150 1HG1 ILE 15 2HG1 ILE 15 11.203 2.215 -0.029 151 2HG1 ILE 15 1HG1 ILE 15 10.907 0.937 1.146 152 1HG2 ILE 15 1HG2 ILE 15 8.279 0.688 1.294 153 2HG2 ILE 15 2HG2 ILE 15 7.430 2.144 1.822 154 3HG2 ILE 15 3HG2 ILE 15 8.678 1.431 2.845 155 1HD1 ILE 15 1HD1 ILE 15 9.358 -0.125 -0.210 156 2HD1 ILE 15 2HD1 ILE 15 10.599 0.420 -1.344 157 3HD1 ILE 15 3HD1 ILE 15 9.088 1.317 -1.192 158 H THR 16 H THR 16 8.116 5.755 -0.667 159 HA THR 16 HA THR 16 6.372 6.279 1.648 160 HB THR 16 HB THR 16 7.964 8.315 0.075 161 HG1 THR 16 1HG THR 16 8.426 7.536 2.745 162 1HG2 THR 16 1HG2 THR 16 7.335 9.364 2.552 163 2HG2 THR 16 2HG2 THR 16 5.844 8.588 2.015 164 3HG2 THR 16 3HG2 THR 16 6.618 9.807 1.003 165 H ILE 17 H ILE 17 6.916 6.775 -1.802 166 HA ILE 17 HA ILE 17 4.057 7.418 -2.084 167 HB ILE 17 HB ILE 17 6.091 9.060 -2.825 168 1HG1 ILE 17 2HG1 ILE 17 3.688 9.603 -2.667 169 2HG1 ILE 17 1HG1 ILE 17 4.427 10.282 -4.113 170 1HG2 ILE 17 1HG2 ILE 17 5.472 7.317 -5.185 171 2HG2 ILE 17 2HG2 ILE 17 7.042 7.820 -4.556 172 3HG2 ILE 17 3HG2 ILE 17 6.009 8.986 -5.382 173 1HD1 ILE 17 1HD1 ILE 17 3.064 7.643 -4.290 174 2HD1 ILE 17 2HD1 ILE 17 3.271 8.892 -5.517 175 3HD1 ILE 17 3HD1 ILE 17 2.097 9.116 -4.220 176 H HIS 18 H HIS 18 6.790 5.612 -3.382 177 HA HIS 18 HA HIS 18 5.338 4.414 -5.523 178 1HB HIS 18 2HB HIS 18 7.450 3.957 -6.108 179 2HB HIS 18 1HB HIS 18 8.034 4.363 -4.501 180 HD1 HIS 18 1HD HIS 18 7.879 2.277 -2.727 181 HD2 HIS 18 2HD HIS 18 7.728 1.352 -6.775 182 HE1 HIS 18 1HE HIS 18 8.456 -0.165 -2.880 183 HE2 HIS 18 2HE HIS 18 8.284 -0.721 -5.331 184 H ASP 19 H ASP 19 5.578 3.863 -2.159 185 HA ASP 19 HA ASP 19 4.746 1.115 -2.201 186 1HB ASP 19 2HB ASP 19 5.705 2.974 -0.259 187 2HB ASP 19 1HB ASP 19 4.177 2.320 0.318 188 H ARG 20 H ARG 20 3.223 4.137 -2.511 189 HA ARG 20 HA ARG 20 0.671 3.435 -1.447 190 1HB ARG 20 2HB ARG 20 1.903 5.759 -2.514 191 2HB ARG 20 1HB ARG 20 0.439 5.466 -3.441 192 1HG ARG 20 2HG ARG 20 -0.385 6.774 -1.766 193 2HG ARG 20 1HG ARG 20 -0.630 5.173 -1.064 194 1HD ARG 20 2HD ARG 20 2.009 6.105 -0.451 195 2HD ARG 20 1HD ARG 20 0.827 7.333 0.004 196 HE ARG 20 HE ARG 20 1.175 4.720 1.191 197 1HH1 ARG 20 1HH1 ARG 20 -0.922 7.473 0.787 198 2HH1 ARG 20 2HH1 ARG 20 -1.837 7.147 2.222 199 1HH2 ARG 20 1HH2 ARG 20 -0.027 4.283 3.077 200 2HH2 ARG 20 2HH2 ARG 20 -1.329 5.338 3.522 201 H LYS 21 H LYS 21 2.353 2.646 -4.243 202 HA LYS 21 HA LYS 21 -0.109 1.895 -5.661 203 1HB LYS 21 2HB LYS 21 2.220 1.579 -7.295 204 2HB LYS 21 1HB LYS 21 0.835 2.636 -7.540 205 1HG LYS 21 2HG LYS 21 1.881 4.448 -6.648 206 2HG LYS 21 1HG LYS 21 2.920 3.479 -5.602 207 1HD LYS 21 2HD LYS 21 4.516 3.972 -7.109 208 2HD LYS 21 1HD LYS 21 3.766 2.686 -8.057 209 1HE LYS 21 2HE LYS 21 3.129 5.628 -8.259 210 2HE LYS 21 1HE LYS 21 4.121 4.708 -9.391 211 1HZ LYS 21 1HZ LYS 21 1.362 5.042 -9.430 212 2HZ LYS 21 2HZ LYS 21 1.640 3.417 -9.049 213 3HZ LYS 21 3HZ LYS 21 2.302 4.079 -10.458 214 H GLU 22 H GLU 22 2.968 0.793 -4.436 215 HA GLU 22 HA GLU 22 2.917 -1.819 -5.491 216 1HB GLU 22 2HB GLU 22 4.358 -0.399 -3.290 217 2HB GLU 22 1HB GLU 22 4.447 -2.147 -3.370 218 1HG GLU 22 2HG GLU 22 5.063 -0.502 -5.779 219 2HG GLU 22 1HG GLU 22 6.267 -0.704 -4.501 220 H PHE 23 H PHE 23 0.869 -0.335 -3.394 221 HA PHE 23 HA PHE 23 0.165 -2.848 -2.026 222 1HB PHE 23 2HB PHE 23 0.973 -1.096 -0.488 223 2HB PHE 23 1HB PHE 23 -0.276 -0.010 -1.076 224 HD1 PHE 23 1HD PHE 23 0.263 -3.226 0.684 225 HD2 PHE 23 2HD PHE 23 -2.417 -0.033 -0.165 226 HE1 PHE 23 1HE PHE 23 -1.298 -4.089 2.381 227 HE2 PHE 23 2HE PHE 23 -3.982 -0.889 1.526 228 HZ PHE 23 HZ PHE 23 -3.424 -2.919 2.804 229 H ALA 24 H ALA 24 -0.954 -0.072 -3.816 230 HA ALA 24 HA ALA 24 -3.741 -0.736 -3.549 231 1HB ALA 24 1HB ALA 24 -3.388 1.551 -3.794 232 2HB ALA 24 2HB ALA 24 -3.937 1.053 -5.395 233 3HB ALA 24 3HB ALA 24 -2.220 1.333 -5.099 234 H LYS 25 H LYS 25 -2.639 -2.956 -4.332 235 HA LYS 25 HA LYS 25 -2.468 -3.417 -7.124 236 1HB LYS 25 2HB LYS 25 -2.892 -5.840 -6.305 237 2HB LYS 25 1HB LYS 25 -1.437 -5.032 -5.730 238 1HG LYS 25 2HG LYS 25 -3.192 -4.327 -3.780 239 2HG LYS 25 1HG LYS 25 -3.827 -5.908 -4.252 240 1HD LYS 25 2HD LYS 25 -2.265 -6.198 -2.454 241 2HD LYS 25 1HD LYS 25 -1.564 -6.865 -3.929 242 1HE LYS 25 2HE LYS 25 0.148 -5.430 -3.884 243 2HE LYS 25 1HE LYS 25 -0.908 -4.058 -3.551 244 1HZ LYS 25 1HZ LYS 25 0.472 -4.236 -1.692 245 2HZ LYS 25 2HZ LYS 25 0.338 -5.920 -1.621 246 3HZ LYS 25 3HZ LYS 25 -0.980 -4.950 -1.193 247 H PHE 26 H PHE 26 -4.821 -4.232 -4.688 248 HA PHE 26 HA PHE 26 -7.023 -4.031 -6.611 249 1HB PHE 26 2HB PHE 26 -7.397 -6.189 -6.137 250 2HB PHE 26 1HB PHE 26 -6.126 -6.181 -4.938 251 HD1 PHE 26 1HD PHE 26 -6.575 -6.028 -2.631 252 HD2 PHE 26 2HD PHE 26 -9.740 -5.747 -5.461 253 HE1 PHE 26 1HE PHE 26 -8.204 -6.329 -0.822 254 HE2 PHE 26 2HE PHE 26 -11.384 -6.046 -3.653 255 HZ PHE 26 HZ PHE 26 -10.618 -6.338 -1.329 256 H GLU 27 H GLU 27 -5.513 -3.055 -3.779 257 HA GLU 27 HA GLU 27 -7.621 -2.243 -2.132 258 1HB GLU 27 2HB GLU 27 -4.914 -0.928 -2.387 259 2HB GLU 27 1HB GLU 27 -5.956 -0.951 -0.980 260 1HG GLU 27 2HG GLU 27 -4.418 -3.244 -2.153 261 2HG GLU 27 1HG GLU 27 -4.189 -2.469 -0.584 262 H GLU 28 H GLU 28 -6.272 -0.899 -5.019 263 HA GLU 28 HA GLU 28 -7.284 1.759 -4.669 264 1HB GLU 28 2HB GLU 28 -6.701 2.053 -7.040 265 2HB GLU 28 1HB GLU 28 -5.378 1.322 -6.142 266 1HG GLU 28 2HG GLU 28 -5.781 -0.801 -7.080 267 2HG GLU 28 1HG GLU 28 -7.345 -0.302 -7.722 268 H GLU 29 H GLU 29 -8.768 -1.108 -5.054 269 HA GLU 29 HA GLU 29 -11.074 0.051 -6.473 270 1HB GLU 29 2HB GLU 29 -10.371 -2.886 -6.310 271 2HB GLU 29 1HB GLU 29 -11.615 -2.140 -7.308 272 1HG GLU 29 2HG GLU 29 -8.713 -1.466 -7.635 273 2HG GLU 29 1HG GLU 29 -9.445 -2.857 -8.435 274 H ARG 30 H ARG 30 -9.860 -1.549 -3.680 275 HA ARG 30 HA ARG 30 -12.511 -2.129 -2.629 276 1HB ARG 30 2HB ARG 30 -11.441 -3.819 -1.654 277 2HB ARG 30 1HB ARG 30 -9.909 -3.223 -2.272 278 1HG ARG 30 2HG ARG 30 -9.307 -2.971 -0.154 279 2HG ARG 30 1HG ARG 30 -10.404 -1.591 -0.122 280 1HD ARG 30 2HD ARG 30 -12.122 -2.820 0.864 281 2HD ARG 30 1HD ARG 30 -11.404 -4.364 0.405 282 HE ARG 30 HE ARG 30 -9.564 -3.544 2.067 283 1HH1 ARG 30 1HH1 ARG 30 -13.017 -3.194 2.378 284 2HH1 ARG 30 2HH1 ARG 30 -12.990 -3.210 4.110 285 1HH2 ARG 30 1HH2 ARG 30 -9.520 -3.561 4.348 286 2HH2 ARG 30 2HH2 ARG 30 -11.004 -3.415 5.229 287 H ALA 31 H ALA 31 -10.096 0.288 -2.453 288 HA ALA 31 HA ALA 31 -11.427 1.501 -0.123 289 1HB ALA 31 1HB ALA 31 -8.589 1.700 -1.100 290 2HB ALA 31 2HB ALA 31 -9.173 1.148 0.470 291 3HB ALA 31 3HB ALA 31 -9.274 2.856 0.043 292 H ARG 32 H ARG 32 -11.801 1.566 -3.190 293 HA ARG 32 HA ARG 32 -11.906 4.502 -3.454 294 1HB ARG 32 2HB ARG 32 -10.802 2.617 -5.182 295 2HB ARG 32 1HB ARG 32 -12.357 2.991 -5.903 296 1HG ARG 32 2HG ARG 32 -10.491 4.388 -6.745 297 2HG ARG 32 1HG ARG 32 -11.810 5.318 -6.032 298 1HD ARG 32 2HD ARG 32 -10.248 4.941 -3.866 299 2HD ARG 32 1HD ARG 32 -9.023 4.982 -5.136 300 HE ARG 32 HE ARG 32 -10.717 7.174 -4.266 301 1HH1 ARG 32 1HH1 ARG 32 -8.489 5.955 -6.655 302 2HH1 ARG 32 2HH1 ARG 32 -8.090 7.525 -7.268 303 1HH2 ARG 32 1HH2 ARG 32 -10.202 9.239 -5.071 304 2HH2 ARG 32 2HH2 ARG 32 -9.064 9.391 -6.367 305 H ALA 33 H ALA 33 -13.581 1.584 -4.561 306 HA ALA 33 HA ALA 33 -15.999 2.759 -5.189 307 1HB ALA 33 1HB ALA 33 -14.955 0.186 -5.090 308 2HB ALA 33 2HB ALA 33 -16.528 0.670 -5.730 309 3HB ALA 33 3HB ALA 33 -16.383 0.135 -4.054 310 H LYS 34 H LYS 34 -14.613 2.317 -2.068 311 HA LYS 34 HA LYS 34 -16.998 2.088 -0.574 312 1HB LYS 34 2HB LYS 34 -15.379 3.449 1.142 313 2HB LYS 34 1HB LYS 34 -15.406 1.705 0.961 314 1HG LYS 34 2HG LYS 34 -13.277 1.718 0.377 315 2HG LYS 34 1HG LYS 34 -13.596 2.810 -0.968 316 1HD LYS 34 2HD LYS 34 -12.175 4.127 0.230 317 2HD LYS 34 1HD LYS 34 -13.690 4.588 1.006 318 1HE LYS 34 2HE LYS 34 -12.699 2.253 2.291 319 2HE LYS 34 1HE LYS 34 -11.383 3.420 2.176 320 1HZ LYS 34 1HZ LYS 34 -12.308 4.230 4.036 321 2HZ LYS 34 2HZ LYS 34 -13.817 3.525 3.740 322 3HZ LYS 34 3HZ LYS 34 -13.400 4.977 2.980 323 H TRP 35 H TRP 35 -15.060 4.898 -1.503 324 HA TRP 35 HA TRP 35 -17.259 6.655 -0.688 325 1HB TRP 35 2HB TRP 35 -15.571 8.484 -1.055 326 2HB TRP 35 1HB TRP 35 -15.158 7.361 0.237 327 HD1 TRP 35 HD TRP 35 -14.514 7.118 -3.578 328 HE1 TRP 35 1HE TRP 35 -12.027 6.763 -3.922 329 HE3 TRP 35 3HE TRP 35 -12.974 7.310 1.290 330 HZ2 TRP 35 2HZ TRP 35 -9.671 6.567 -2.368 331 HZ3 TRP 35 3HZ TRP 35 -10.580 7.015 1.774 332 HH2 TRP 35 HH TRP 35 -8.969 6.646 -0.019 333 H ASP 36 H ASP 36 -16.186 5.011 -3.284 334 HA ASP 36 HA ASP 36 -17.117 7.033 -5.213 335 1HB ASP 36 2HB ASP 36 -14.784 5.356 -5.172 336 2HB ASP 36 1HB ASP 36 -15.785 4.917 -6.559 Start of MODEL 8 1 1H MET 1 1HT MET 1 13.954 -5.461 -2.904 2 2H MET 1 2HT MET 1 15.227 -6.075 -3.832 3 3H MET 1 3HT MET 1 14.242 -4.851 -4.456 4 HA MET 1 HA MET 1 16.418 -4.035 -3.709 5 1HB MET 1 2HB MET 1 14.023 -3.029 -2.170 6 2HB MET 1 1HB MET 1 15.495 -2.122 -2.483 7 1HG MET 1 2HG MET 1 13.531 -3.094 -4.545 8 2HG MET 1 1HG MET 1 13.726 -1.435 -3.982 9 1HE MET 1 1HE MET 1 16.377 -0.991 -3.522 10 2HE MET 1 2HE MET 1 16.472 0.029 -4.956 11 3HE MET 1 3HE MET 1 17.621 -1.291 -4.734 12 H TRP 2 H TRP 2 15.106 -3.259 -0.716 13 HA TRP 2 HA TRP 2 17.033 -5.002 0.644 14 1HB TRP 2 2HB TRP 2 16.139 -2.769 2.206 15 2HB TRP 2 1HB TRP 2 17.772 -3.149 1.675 16 HD1 TRP 2 HD TRP 2 18.758 -1.557 -0.133 17 HE1 TRP 2 1HE TRP 2 17.827 0.427 -1.493 18 HE3 TRP 2 3HE TRP 2 13.842 -2.017 1.048 19 HZ2 TRP 2 2HZ TRP 2 15.288 1.620 -1.934 20 HZ3 TRP 2 3HZ TRP 2 12.245 -0.411 0.145 21 HH2 TRP 2 HH TRP 2 12.956 1.371 -1.339 22 H LYS 3 H LYS 3 14.579 -3.096 2.298 23 HA LYS 3 HA LYS 3 13.494 -5.543 3.443 24 1HB LYS 3 2HB LYS 3 12.483 -4.232 5.079 25 2HB LYS 3 1HB LYS 3 14.051 -3.488 4.861 26 1HG LYS 3 2HG LYS 3 11.326 -2.511 4.078 27 2HG LYS 3 1HG LYS 3 12.505 -1.749 5.137 28 1HD LYS 3 2HD LYS 3 13.817 -1.030 3.337 29 2HD LYS 3 1HD LYS 3 13.068 -2.185 2.233 30 1HE LYS 3 2HE LYS 3 11.563 0.086 3.510 31 2HE LYS 3 1HE LYS 3 12.366 0.212 1.945 32 1HZ LYS 3 1HZ LYS 3 10.723 -0.853 0.953 33 2HZ LYS 3 2HZ LYS 3 9.828 -0.671 2.376 34 3HZ LYS 3 3HZ LYS 3 10.704 -2.092 2.104 35 H VAL 4 H VAL 4 12.901 -3.355 1.031 36 HA VAL 4 HA VAL 4 10.280 -2.982 0.812 37 HB VAL 4 HB VAL 4 12.260 -2.367 -0.772 38 1HG1 VAL 4 1HG1 VAL 4 12.903 -4.419 -1.685 39 2HG1 VAL 4 2HG1 VAL 4 11.924 -3.695 -2.961 40 3HG1 VAL 4 3HG1 VAL 4 11.235 -4.945 -1.920 41 1HG2 VAL 4 1HG2 VAL 4 10.749 -1.347 -2.097 42 2HG2 VAL 4 2HG2 VAL 4 9.641 -1.891 -0.840 43 3HG2 VAL 4 3HG2 VAL 4 9.798 -2.811 -2.337 44 H GLY 5 H GLY 5 12.031 -5.910 -0.141 45 1HA GLY 5 2HA GLY 5 10.248 -7.321 -1.528 46 2HA GLY 5 1HA GLY 5 11.220 -8.087 -0.279 47 H PHE 6 H PHE 6 10.043 -6.899 1.972 48 HA PHE 6 HA PHE 6 7.299 -7.876 1.726 49 1HB PHE 6 2HB PHE 6 7.415 -8.775 3.993 50 2HB PHE 6 1HB PHE 6 8.675 -9.483 2.988 51 HD1 PHE 6 1HD PHE 6 11.008 -8.321 3.120 52 HD2 PHE 6 2HD PHE 6 7.956 -7.921 6.059 53 HE1 PHE 6 1HE PHE 6 12.699 -7.662 4.780 54 HE2 PHE 6 2HE PHE 6 9.642 -7.258 7.724 55 HZ PHE 6 HZ PHE 6 12.016 -7.129 7.086 56 H PHE 7 H PHE 7 8.868 -5.153 1.902 57 HA PHE 7 HA PHE 7 7.270 -3.967 4.057 58 1HB PHE 7 2HB PHE 7 9.889 -3.624 3.411 59 2HB PHE 7 1HB PHE 7 9.144 -2.259 2.587 60 HD1 PHE 7 1HD PHE 7 9.762 -0.419 3.820 61 HD2 PHE 7 2HD PHE 7 8.185 -3.820 5.828 62 HE1 PHE 7 1HE PHE 7 9.705 0.861 5.911 63 HE2 PHE 7 2HE PHE 7 8.114 -2.547 7.932 64 HZ PHE 7 HZ PHE 7 8.873 -0.205 7.979 65 H LYS 8 H LYS 8 7.882 -3.613 0.586 66 HA LYS 8 HA LYS 8 6.292 -1.346 0.245 67 1HB LYS 8 2HB LYS 8 6.088 -2.179 -2.169 68 2HB LYS 8 1HB LYS 8 7.684 -1.809 -1.528 69 1HG LYS 8 2HG LYS 8 7.269 -3.951 -2.963 70 2HG LYS 8 1HG LYS 8 8.377 -3.950 -1.602 71 1HD LYS 8 2HD LYS 8 7.185 -5.921 -1.327 72 2HD LYS 8 1HD LYS 8 6.383 -4.795 -0.228 73 1HE LYS 8 2HE LYS 8 4.464 -5.144 -1.254 74 2HE LYS 8 1HE LYS 8 5.151 -4.555 -2.768 75 1HZ LYS 8 1HZ LYS 8 4.886 -6.608 -3.534 76 2HZ LYS 8 2HZ LYS 8 4.497 -7.219 -2.007 77 3HZ LYS 8 3HZ LYS 8 6.116 -7.110 -2.487 78 H ARG 9 H ARG 9 5.385 -4.365 1.223 79 HA ARG 9 HA ARG 9 2.614 -3.951 0.340 80 1HB ARG 9 2HB ARG 9 2.733 -6.088 -0.355 81 2HB ARG 9 1HB ARG 9 4.293 -6.317 0.420 82 1HG ARG 9 2HG ARG 9 2.011 -6.309 2.258 83 2HG ARG 9 1HG ARG 9 2.017 -7.629 1.087 84 1HD ARG 9 2HD ARG 9 4.518 -7.862 1.803 85 2HD ARG 9 1HD ARG 9 3.988 -6.983 3.237 86 HE ARG 9 HE ARG 9 2.831 -9.556 2.374 87 1HH1 ARG 9 1HH1 ARG 9 3.879 -7.342 4.855 88 2HH1 ARG 9 2HH1 ARG 9 3.458 -8.404 6.157 89 1HH2 ARG 9 1HH2 ARG 9 2.275 -10.956 4.083 90 2HH2 ARG 9 2HH2 ARG 9 2.548 -10.456 5.719 91 H ASN 10 H ASN 10 4.837 -4.240 2.920 92 HA ASN 10 HA ASN 10 2.783 -4.442 4.980 93 1HB ASN 10 2HB ASN 10 4.694 -5.832 5.348 94 2HB ASN 10 1HB ASN 10 5.800 -4.488 5.049 95 1HD2 ASN 10 1HD2 ASN 10 3.092 -5.357 7.179 96 2HD2 ASN 10 2HD2 ASN 10 3.777 -4.674 8.611 97 H ARG 11 H ARG 11 5.766 -2.538 4.937 98 HA ARG 11 HA ARG 11 6.214 -0.392 5.537 99 1HB ARG 11 2HB ARG 11 3.926 -0.268 3.791 100 2HB ARG 11 1HB ARG 11 3.928 1.030 4.967 101 1HG ARG 11 2HG ARG 11 6.387 0.425 3.401 102 2HG ARG 11 1HG ARG 11 5.094 1.413 2.715 103 1HD ARG 11 2HD ARG 11 5.893 3.179 3.797 104 2HD ARG 11 1HD ARG 11 5.570 2.367 5.329 105 HE ARG 11 HE ARG 11 7.973 1.363 4.392 106 1HH1 ARG 11 1HH1 ARG 11 6.684 4.449 5.379 107 2HH1 ARG 11 2HH1 ARG 11 8.215 5.060 5.912 108 1HH2 ARG 11 1HH2 ARG 11 9.988 2.160 5.086 109 2HH2 ARG 11 2HH2 ARG 11 10.094 3.760 5.744 110 1H LYS 12 1HT LYS 12 16.041 5.257 -0.849 111 2H LYS 12 2HT LYS 12 15.929 3.910 -1.865 112 3H LYS 12 3HT LYS 12 17.157 3.993 -0.705 113 HA LYS 12 HA LYS 12 14.838 2.705 -0.404 114 1HB LYS 12 2HB LYS 12 16.955 2.523 0.907 115 2HB LYS 12 1HB LYS 12 16.408 3.901 1.861 116 1HG LYS 12 2HG LYS 12 14.226 2.274 1.947 117 2HG LYS 12 1HG LYS 12 15.556 1.106 1.939 118 1HD LYS 12 2HD LYS 12 15.538 1.464 4.142 119 2HD LYS 12 1HD LYS 12 16.463 2.909 3.742 120 1HE LYS 12 2HE LYS 12 13.920 3.791 3.412 121 2HE LYS 12 1HE LYS 12 13.701 2.620 4.712 122 1HZ LYS 12 1HZ LYS 12 15.893 3.969 5.508 123 2HZ LYS 12 2HZ LYS 12 14.316 4.301 6.023 124 3HZ LYS 12 3HZ LYS 12 14.996 5.193 4.757 125 H LEU 13 H LEU 13 14.733 5.961 -0.554 126 HA LEU 13 HA LEU 13 12.580 6.045 1.413 127 1HB LEU 13 2HB LEU 13 13.940 8.328 -0.025 128 2HB LEU 13 1HB LEU 13 12.691 8.495 1.195 129 HG LEU 13 HG LEU 13 14.437 8.778 2.593 130 1HD1 LEU 13 1HD1 LEU 13 14.449 5.769 2.256 131 2HD1 LEU 13 2HD1 LEU 13 13.621 6.738 3.484 132 3HD1 LEU 13 3HD1 LEU 13 15.379 6.620 3.499 133 1HD2 LEU 13 1HD2 LEU 13 16.563 8.745 1.909 134 2HD2 LEU 13 2HD2 LEU 13 15.893 8.342 0.327 135 3HD2 LEU 13 3HD2 LEU 13 16.472 7.062 1.394 136 H LEU 14 H LEU 14 12.732 4.922 -1.395 137 HA LEU 14 HA LEU 14 10.731 6.396 -2.861 138 1HB LEU 14 2HB LEU 14 10.806 4.437 -4.394 139 2HB LEU 14 1HB LEU 14 12.374 5.178 -4.138 140 HG LEU 14 HG LEU 14 12.129 3.118 -2.205 141 1HD1 LEU 14 1HD1 LEU 14 11.820 1.819 -4.844 142 2HD1 LEU 14 2HD1 LEU 14 10.357 2.451 -4.090 143 3HD1 LEU 14 3HD1 LEU 14 11.346 1.264 -3.239 144 1HD2 LEU 14 1HD2 LEU 14 14.007 4.130 -3.928 145 2HD2 LEU 14 2HD2 LEU 14 13.716 2.519 -4.582 146 3HD2 LEU 14 3HD2 LEU 14 14.215 2.711 -2.901 147 H ILE 15 H ILE 15 10.867 4.358 -0.280 148 HA ILE 15 HA ILE 15 8.373 2.958 -0.665 149 HB ILE 15 HB ILE 15 10.221 3.132 1.728 150 1HG1 ILE 15 2HG1 ILE 15 11.242 2.167 -0.292 151 2HG1 ILE 15 1HG1 ILE 15 11.063 0.983 0.997 152 1HG2 ILE 15 1HG2 ILE 15 8.513 0.772 1.456 153 2HG2 ILE 15 2HG2 ILE 15 7.622 2.265 1.754 154 3HG2 ILE 15 3HG2 ILE 15 8.878 1.749 2.880 155 1HD1 ILE 15 1HD1 ILE 15 9.452 -0.191 -0.118 156 2HD1 ILE 15 2HD1 ILE 15 10.443 0.388 -1.461 157 3HD1 ILE 15 3HD1 ILE 15 8.934 1.207 -1.061 158 H THR 16 H THR 16 8.580 5.955 -0.549 159 HA THR 16 HA THR 16 6.793 6.454 1.734 160 HB THR 16 HB THR 16 8.557 8.346 0.165 161 HG1 THR 16 1HG THR 16 9.484 6.971 1.847 162 1HG2 THR 16 1HG2 THR 16 7.233 9.274 2.628 163 2HG2 THR 16 2HG2 THR 16 6.227 9.161 1.185 164 3HG2 THR 16 3HG2 THR 16 7.682 10.159 1.170 165 H ILE 17 H ILE 17 7.186 6.731 -1.733 166 HA ILE 17 HA ILE 17 4.382 7.610 -1.914 167 HB ILE 17 HB ILE 17 6.532 9.019 -2.863 168 1HG1 ILE 17 2HG1 ILE 17 4.272 9.880 -2.504 169 2HG1 ILE 17 1HG1 ILE 17 4.868 10.346 -4.094 170 1HG2 ILE 17 1HG2 ILE 17 5.521 7.260 -5.063 171 2HG2 ILE 17 2HG2 ILE 17 7.183 7.674 -4.637 172 3HG2 ILE 17 3HG2 ILE 17 6.146 8.874 -5.407 173 1HD1 ILE 17 1HD1 ILE 17 3.580 8.382 -5.012 174 2HD1 ILE 17 2HD1 ILE 17 2.620 9.719 -4.376 175 3HD1 ILE 17 3HD1 ILE 17 2.827 8.252 -3.421 176 H HIS 18 H HIS 18 6.902 5.549 -3.286 177 HA HIS 18 HA HIS 18 5.249 4.393 -5.291 178 1HB HIS 18 2HB HIS 18 7.267 3.703 -5.953 179 2HB HIS 18 1HB HIS 18 7.975 4.146 -4.407 180 HD1 HIS 18 1HD HIS 18 7.647 2.166 -2.493 181 HD2 HIS 18 2HD HIS 18 7.372 1.064 -6.488 182 HE1 HIS 18 1HE HIS 18 8.035 -0.317 -2.534 183 HE2 HIS 18 2HE HIS 18 7.923 -0.953 -4.967 184 H ASP 19 H ASP 19 5.630 3.905 -1.918 185 HA ASP 19 HA ASP 19 4.508 1.258 -1.872 186 1HB ASP 19 2HB ASP 19 5.882 2.917 -0.046 187 2HB ASP 19 1HB ASP 19 4.305 2.589 0.668 188 H ARG 20 H ARG 20 3.319 4.407 -2.143 189 HA ARG 20 HA ARG 20 0.767 3.961 -0.893 190 1HB ARG 20 2HB ARG 20 2.210 6.192 -1.847 191 2HB ARG 20 1HB ARG 20 0.733 6.118 -2.798 192 1HG ARG 20 2HG ARG 20 0.243 7.493 -0.957 193 2HG ARG 20 1HG ARG 20 -0.515 5.938 -0.607 194 1HD ARG 20 2HD ARG 20 2.111 5.822 0.415 195 2HD ARG 20 1HD ARG 20 1.439 7.377 0.907 196 HE ARG 20 HE ARG 20 -0.003 4.859 1.405 197 1HH1 ARG 20 1HH1 ARG 20 1.404 7.841 2.535 198 2HH1 ARG 20 2HH1 ARG 20 0.747 7.695 4.130 199 1HH2 ARG 20 1HH2 ARG 20 -0.875 4.663 3.500 200 2HH2 ARG 20 2HH2 ARG 20 -0.548 5.889 4.678 201 H LYS 21 H LYS 21 2.184 2.940 -3.701 202 HA LYS 21 HA LYS 21 -0.414 2.582 -5.042 203 1HB LYS 21 2HB LYS 21 1.755 2.199 -6.864 204 2HB LYS 21 1HB LYS 21 0.467 3.396 -6.925 205 1HG LYS 21 2HG LYS 21 1.741 5.012 -5.877 206 2HG LYS 21 1HG LYS 21 2.842 3.829 -5.167 207 1HD LYS 21 2HD LYS 21 4.146 4.694 -6.859 208 2HD LYS 21 1HD LYS 21 3.418 3.301 -7.662 209 1HE LYS 21 2HE LYS 21 1.940 4.624 -8.881 210 2HE LYS 21 1HE LYS 21 2.110 5.993 -7.784 211 1HZ LYS 21 1HZ LYS 21 3.501 6.774 -9.325 212 2HZ LYS 21 2HZ LYS 21 3.693 5.272 -10.077 213 3HZ LYS 21 3HZ LYS 21 4.622 5.661 -8.718 214 H GLU 22 H GLU 22 2.537 1.158 -3.917 215 HA GLU 22 HA GLU 22 2.396 -1.315 -5.239 216 1HB GLU 22 2HB GLU 22 3.813 -0.201 -2.876 217 2HB GLU 22 1HB GLU 22 3.736 -1.946 -3.023 218 1HG GLU 22 2HG GLU 22 4.533 -0.491 -5.448 219 2HG GLU 22 1HG GLU 22 5.662 -0.416 -4.089 220 H PHE 23 H PHE 23 0.511 0.017 -2.745 221 HA PHE 23 HA PHE 23 -0.349 -2.606 -1.765 222 1HB PHE 23 2HB PHE 23 0.168 -0.813 -0.117 223 2HB PHE 23 1HB PHE 23 -1.143 0.147 -0.791 224 HD1 PHE 23 1HD PHE 23 -3.347 -0.164 -0.076 225 HD2 PHE 23 2HD PHE 23 -0.376 -3.038 0.935 226 HE1 PHE 23 1HE PHE 23 -4.931 -1.256 1.458 227 HE2 PHE 23 2HE PHE 23 -1.955 -4.136 2.470 228 HZ PHE 23 HZ PHE 23 -4.236 -3.245 2.733 229 H ALA 24 H ALA 24 -1.573 0.303 -3.351 230 HA ALA 24 HA ALA 24 -4.228 -0.811 -3.635 231 1HB ALA 24 1HB ALA 24 -4.227 1.512 -3.305 232 2HB ALA 24 2HB ALA 24 -4.577 1.306 -5.022 233 3HB ALA 24 3HB ALA 24 -2.957 1.770 -4.501 234 H LYS 25 H LYS 25 -2.292 -2.430 -4.754 235 HA LYS 25 HA LYS 25 -2.051 -2.084 -7.580 236 1HB LYS 25 2HB LYS 25 -1.590 -4.682 -7.307 237 2HB LYS 25 1HB LYS 25 -0.411 -3.495 -6.763 238 1HG LYS 25 2HG LYS 25 -0.496 -4.370 -4.728 239 2HG LYS 25 1HG LYS 25 -2.205 -3.910 -4.615 240 1HD LYS 25 2HD LYS 25 -1.967 -6.280 -4.188 241 2HD LYS 25 1HD LYS 25 -2.805 -6.038 -5.723 242 1HE LYS 25 2HE LYS 25 -0.864 -6.596 -6.969 243 2HE LYS 25 1HE LYS 25 0.162 -6.514 -5.538 244 1HZ LYS 25 1HZ LYS 25 -0.206 -8.785 -5.991 245 2HZ LYS 25 2HZ LYS 25 -1.871 -8.569 -6.192 246 3HZ LYS 25 3HZ LYS 25 -1.180 -8.420 -4.655 247 H PHE 26 H PHE 26 -3.802 -4.385 -5.588 248 HA PHE 26 HA PHE 26 -5.905 -4.623 -7.631 249 1HB PHE 26 2HB PHE 26 -5.020 -6.780 -7.391 250 2HB PHE 26 1HB PHE 26 -4.679 -6.535 -5.683 251 HD1 PHE 26 1HD PHE 26 -6.037 -7.512 -4.117 252 HD2 PHE 26 2HD PHE 26 -7.557 -6.828 -8.031 253 HE1 PHE 26 1HE PHE 26 -8.096 -8.723 -3.523 254 HE2 PHE 26 2HE PHE 26 -9.621 -8.035 -7.446 255 HZ PHE 26 HZ PHE 26 -9.892 -8.985 -5.189 256 H GLU 27 H GLU 27 -4.960 -3.564 -4.624 257 HA GLU 27 HA GLU 27 -7.294 -3.745 -3.077 258 1HB GLU 27 2HB GLU 27 -4.753 -2.220 -3.038 259 2HB GLU 27 1HB GLU 27 -6.069 -1.551 -2.102 260 1HG GLU 27 2HG GLU 27 -4.617 -4.125 -1.749 261 2HG GLU 27 1HG GLU 27 -4.953 -2.857 -0.566 262 H GLU 28 H GLU 28 -6.256 -1.566 -5.588 263 HA GLU 28 HA GLU 28 -8.212 0.464 -5.058 264 1HB GLU 28 2HB GLU 28 -7.483 1.462 -7.129 265 2HB GLU 28 1HB GLU 28 -6.066 0.901 -6.252 266 1HG GLU 28 2HG GLU 28 -6.149 -1.173 -7.682 267 2HG GLU 28 1HG GLU 28 -7.361 -0.346 -8.659 268 H GLU 29 H GLU 29 -8.389 -2.618 -6.214 269 HA GLU 29 HA GLU 29 -10.879 -2.068 -7.686 270 1HB GLU 29 2HB GLU 29 -9.250 -4.546 -8.145 271 2HB GLU 29 1HB GLU 29 -10.407 -3.764 -9.218 272 1HG GLU 29 2HG GLU 29 -7.925 -2.302 -8.486 273 2HG GLU 29 1HG GLU 29 -7.823 -3.624 -9.652 274 H ARG 30 H ARG 30 -9.528 -3.335 -4.943 275 HA ARG 30 HA ARG 30 -11.589 -5.388 -4.591 276 1HB ARG 30 2HB ARG 30 -9.354 -6.193 -4.245 277 2HB ARG 30 1HB ARG 30 -8.985 -4.862 -3.161 278 1HG ARG 30 2HG ARG 30 -11.260 -6.540 -2.362 279 2HG ARG 30 1HG ARG 30 -9.683 -7.331 -2.361 280 1HD ARG 30 2HD ARG 30 -9.362 -4.776 -1.185 281 2HD ARG 30 1HD ARG 30 -10.779 -5.525 -0.450 282 HE ARG 30 HE ARG 30 -8.084 -6.213 0.023 283 1HH1 ARG 30 1HH1 ARG 30 -11.221 -7.672 -0.415 284 2HH1 ARG 30 2HH1 ARG 30 -10.845 -9.067 0.541 285 1HH2 ARG 30 1HH2 ARG 30 -7.586 -8.046 1.280 286 2HH2 ARG 30 2HH2 ARG 30 -8.781 -9.278 1.505 287 H ALA 31 H ALA 31 -10.062 -2.699 -2.810 288 HA ALA 31 HA ALA 31 -12.507 -2.512 -1.181 289 1HB ALA 31 1HB ALA 31 -9.808 -1.475 -0.367 290 2HB ALA 31 2HB ALA 31 -10.342 -3.119 -0.015 291 3HB ALA 31 3HB ALA 31 -11.228 -1.742 0.643 292 H ARG 32 H ARG 32 -11.429 -1.169 -3.798 293 HA ARG 32 HA ARG 32 -11.914 1.609 -2.951 294 1HB ARG 32 2HB ARG 32 -9.881 0.571 -4.535 295 2HB ARG 32 1HB ARG 32 -11.008 1.260 -5.695 296 1HG ARG 32 2HG ARG 32 -9.237 2.829 -4.991 297 2HG ARG 32 1HG ARG 32 -10.866 3.415 -4.657 298 1HD ARG 32 2HD ARG 32 -10.335 2.174 -2.327 299 2HD ARG 32 1HD ARG 32 -8.702 2.647 -2.799 300 HE ARG 32 HE ARG 32 -10.797 4.685 -2.834 301 1HH1 ARG 32 1HH1 ARG 32 -7.961 3.333 -1.324 302 2HH1 ARG 32 2HH1 ARG 32 -7.628 4.752 -0.389 303 1HH2 ARG 32 1HH2 ARG 32 -10.369 6.550 -1.609 304 2HH2 ARG 32 2HH2 ARG 32 -8.998 6.583 -0.550 305 H ALA 33 H ALA 33 -12.481 -0.418 -5.831 306 HA ALA 33 HA ALA 33 -14.474 1.046 -6.992 307 1HB ALA 33 1HB ALA 33 -15.168 -1.723 -7.227 308 2HB ALA 33 2HB ALA 33 -13.417 -1.539 -7.310 309 3HB ALA 33 3HB ALA 33 -14.451 -0.649 -8.427 310 H LYS 34 H LYS 34 -14.673 -0.779 -4.059 311 HA LYS 34 HA LYS 34 -17.395 -1.314 -3.892 312 1HB LYS 34 2HB LYS 34 -17.041 -0.918 -1.376 313 2HB LYS 34 1HB LYS 34 -16.104 -2.195 -2.139 314 1HG LYS 34 2HG LYS 34 -14.151 -0.780 -2.190 315 2HG LYS 34 1HG LYS 34 -15.091 0.589 -1.599 316 1HD LYS 34 2HD LYS 34 -13.723 -0.499 0.159 317 2HD LYS 34 1HD LYS 34 -15.451 -0.499 0.516 318 1HE LYS 34 2HE LYS 34 -14.428 -2.860 -0.928 319 2HE LYS 34 1HE LYS 34 -13.864 -2.671 0.731 320 1HZ LYS 34 1HZ LYS 34 -15.768 -3.699 1.237 321 2HZ LYS 34 2HZ LYS 34 -16.489 -3.355 -0.255 322 3HZ LYS 34 3HZ LYS 34 -16.496 -2.193 0.974 323 H TRP 35 H TRP 35 -15.649 1.521 -2.701 324 HA TRP 35 HA TRP 35 -18.147 3.030 -2.589 325 1HB TRP 35 2HB TRP 35 -16.709 4.722 -1.412 326 2HB TRP 35 1HB TRP 35 -16.852 3.185 -0.573 327 HD1 TRP 35 HD TRP 35 -14.421 4.331 -3.364 328 HE1 TRP 35 1HE TRP 35 -12.053 3.912 -2.548 329 HE3 TRP 35 3HE TRP 35 -15.465 2.517 1.295 330 HZ2 TRP 35 2HZ TRP 35 -10.740 2.936 -0.238 331 HZ3 TRP 35 3HZ TRP 35 -13.592 1.856 2.743 332 HH2 TRP 35 HH TRP 35 -11.277 2.062 1.994 333 H ASP 36 H ASP 36 -15.805 2.314 -4.704 334 HA ASP 36 HA ASP 36 -15.880 4.944 -6.029 335 1HB ASP 36 2HB ASP 36 -13.688 3.234 -5.377 336 2HB ASP 36 1HB ASP 36 -13.842 3.275 -7.135 Start of MODEL 9 1 1H MET 1 1HT MET 1 14.208 -4.855 -3.915 2 2H MET 1 2HT MET 1 14.208 -5.770 -2.493 3 3H MET 1 3HT MET 1 15.277 -6.155 -3.745 4 HA MET 1 HA MET 1 16.654 -4.384 -3.337 5 1HB MET 1 2HB MET 1 14.396 -3.147 -1.764 6 2HB MET 1 1HB MET 1 15.953 -2.403 -2.096 7 1HG MET 1 2HG MET 1 13.974 -3.207 -4.216 8 2HG MET 1 1HG MET 1 14.092 -1.590 -3.525 9 1HE MET 1 1HE MET 1 16.760 -1.262 -2.882 10 2HE MET 1 2HE MET 1 17.136 -0.162 -4.209 11 3HE MET 1 3HE MET 1 18.068 -1.644 -4.003 12 H TRP 2 H TRP 2 15.090 -3.786 -0.333 13 HA TRP 2 HA TRP 2 16.974 -5.581 1.034 14 1HB TRP 2 2HB TRP 2 16.086 -3.372 2.634 15 2HB TRP 2 1HB TRP 2 17.726 -3.780 2.152 16 HD1 TRP 2 HD TRP 2 18.801 -2.300 0.289 17 HE1 TRP 2 1HE TRP 2 18.016 -0.228 -1.021 18 HE3 TRP 2 3HE TRP 2 13.841 -2.306 1.587 19 HZ2 TRP 2 2HZ TRP 2 15.605 1.189 -1.406 20 HZ3 TRP 2 3HZ TRP 2 12.402 -0.521 0.691 21 HH2 TRP 2 HH TRP 2 13.283 1.168 -0.778 22 H LYS 3 H LYS 3 14.514 -3.615 2.551 23 HA LYS 3 HA LYS 3 13.222 -5.990 3.642 24 1HB LYS 3 2HB LYS 3 12.112 -4.494 5.153 25 2HB LYS 3 1HB LYS 3 13.803 -4.013 5.113 26 1HG LYS 3 2HG LYS 3 11.988 -2.640 3.226 27 2HG LYS 3 1HG LYS 3 11.743 -2.303 4.937 28 1HD LYS 3 2HD LYS 3 14.031 -1.569 5.167 29 2HD LYS 3 1HD LYS 3 14.380 -2.043 3.508 30 1HE LYS 3 2HE LYS 3 14.066 0.357 3.675 31 2HE LYS 3 1HE LYS 3 12.819 -0.389 2.665 32 1HZ LYS 3 1HZ LYS 3 11.341 0.617 3.963 33 2HZ LYS 3 2HZ LYS 3 12.535 1.149 5.036 34 3HZ LYS 3 3HZ LYS 3 11.826 -0.372 5.248 35 H VAL 4 H VAL 4 12.940 -3.562 1.348 36 HA VAL 4 HA VAL 4 10.416 -3.004 0.847 37 HB VAL 4 HB VAL 4 12.559 -2.485 -0.509 38 1HG1 VAL 4 1HG1 VAL 4 13.177 -4.598 -1.343 39 2HG1 VAL 4 2HG1 VAL 4 12.461 -3.773 -2.728 40 3HG1 VAL 4 3HG1 VAL 4 11.527 -4.982 -1.840 41 1HG2 VAL 4 1HG2 VAL 4 11.275 -1.532 -2.186 42 2HG2 VAL 4 2HG2 VAL 4 10.141 -1.701 -0.848 43 3HG2 VAL 4 3HG2 VAL 4 10.108 -2.853 -2.183 44 H GLY 5 H GLY 5 11.951 -6.088 -0.032 45 1HA GLY 5 2HA GLY 5 10.222 -7.248 -1.680 46 2HA GLY 5 1HA GLY 5 10.891 -8.153 -0.328 47 H PHE 6 H PHE 6 9.604 -7.085 1.794 48 HA PHE 6 HA PHE 6 6.783 -7.452 1.104 49 1HB PHE 6 2HB PHE 6 6.396 -8.669 3.131 50 2HB PHE 6 1HB PHE 6 7.792 -9.405 2.350 51 HD1 PHE 6 1HD PHE 6 6.507 -8.112 5.357 52 HD2 PHE 6 2HD PHE 6 10.118 -8.523 3.145 53 HE1 PHE 6 1HE PHE 6 7.803 -7.818 7.427 54 HE2 PHE 6 2HE PHE 6 11.422 -8.230 5.211 55 HZ PHE 6 HZ PHE 6 10.265 -7.878 7.355 56 H PHE 7 H PHE 7 8.801 -5.145 1.736 57 HA PHE 7 HA PHE 7 7.343 -3.916 3.923 58 1HB PHE 7 2HB PHE 7 9.938 -3.923 3.521 59 2HB PHE 7 1HB PHE 7 9.541 -2.491 2.573 60 HD1 PHE 7 1HD PHE 7 8.501 -3.926 5.857 61 HD2 PHE 7 2HD PHE 7 9.795 -0.529 3.654 62 HE1 PHE 7 1HE PHE 7 8.358 -2.560 7.896 63 HE2 PHE 7 2HE PHE 7 9.670 0.846 5.688 64 HZ PHE 7 HZ PHE 7 8.934 -0.176 7.807 65 H LYS 8 H LYS 8 7.788 -3.570 0.520 66 HA LYS 8 HA LYS 8 6.724 -0.952 0.403 67 1HB LYS 8 2HB LYS 8 6.634 -1.380 -2.046 68 2HB LYS 8 1HB LYS 8 8.190 -1.604 -1.260 69 1HG LYS 8 2HG LYS 8 6.911 -3.365 -3.005 70 2HG LYS 8 1HG LYS 8 8.376 -3.616 -2.081 71 1HD LYS 8 2HD LYS 8 7.422 -5.271 -0.999 72 2HD LYS 8 1HD LYS 8 6.226 -4.144 -0.343 73 1HE LYS 8 2HE LYS 8 6.050 -5.754 -2.876 74 2HE LYS 8 1HE LYS 8 5.069 -5.910 -1.419 75 1HZ LYS 8 1HZ LYS 8 4.184 -4.627 -3.498 76 2HZ LYS 8 2HZ LYS 8 5.069 -3.344 -2.843 77 3HZ LYS 8 3HZ LYS 8 3.840 -4.071 -1.938 78 H ARG 9 H ARG 9 5.378 -3.818 1.082 79 HA ARG 9 HA ARG 9 2.716 -2.899 0.292 80 1HB ARG 9 2HB ARG 9 1.990 -5.155 0.025 81 2HB ARG 9 1HB ARG 9 3.524 -5.040 -0.823 82 1HG ARG 9 2HG ARG 9 4.582 -5.931 1.317 83 2HG ARG 9 1HG ARG 9 2.940 -6.353 1.805 84 1HD ARG 9 2HD ARG 9 4.309 -7.270 -0.723 85 2HD ARG 9 1HD ARG 9 4.112 -8.235 0.739 86 HE ARG 9 HE ARG 9 1.833 -7.254 -0.857 87 1HH1 ARG 9 1HH1 ARG 9 3.456 -9.743 0.963 88 2HH1 ARG 9 2HH1 ARG 9 2.161 -10.883 0.806 89 1HH2 ARG 9 1HH2 ARG 9 0.123 -8.752 -1.073 90 2HH2 ARG 9 2HH2 ARG 9 0.268 -10.320 -0.352 91 H ASN 10 H ASN 10 4.753 -2.753 2.525 92 HA ASN 10 HA ASN 10 3.036 -3.508 4.787 93 1HB ASN 10 2HB ASN 10 5.807 -3.993 4.113 94 2HB ASN 10 1HB ASN 10 5.670 -3.180 5.661 95 1HD2 ASN 10 1HD2 ASN 10 3.356 -5.430 4.263 96 2HD2 ASN 10 2HD2 ASN 10 3.532 -6.652 5.471 97 H ARG 11 H ARG 11 5.995 -1.672 4.884 98 HA ARG 11 HA ARG 11 6.524 0.412 5.569 99 1HB ARG 11 2HB ARG 11 5.118 1.034 3.604 100 2HB ARG 11 1HB ARG 11 3.752 1.177 4.698 101 1HG ARG 11 2HG ARG 11 4.345 3.330 4.807 102 2HG ARG 11 1HG ARG 11 5.577 2.757 5.934 103 1HD ARG 11 2HD ARG 11 6.061 2.853 2.976 104 2HD ARG 11 1HD ARG 11 6.325 4.261 4.001 105 HE ARG 11 HE ARG 11 7.822 1.728 4.128 106 1HH1 ARG 11 1HH1 ARG 11 7.418 5.069 5.046 107 2HH1 ARG 11 2HH1 ARG 11 9.028 5.228 5.665 108 1HH2 ARG 11 1HH2 ARG 11 9.948 1.935 4.930 109 2HH2 ARG 11 2HH2 ARG 11 10.465 3.446 5.602 110 1H LYS 12 1HT LYS 12 16.001 4.933 -1.128 111 2H LYS 12 2HT LYS 12 16.215 3.403 -1.816 112 3H LYS 12 3HT LYS 12 17.307 3.966 -0.654 113 HA LYS 12 HA LYS 12 15.029 2.463 -0.262 114 1HB LYS 12 2HB LYS 12 17.171 2.361 0.963 115 2HB LYS 12 1HB LYS 12 16.749 3.871 1.766 116 1HG LYS 12 2HG LYS 12 14.533 2.252 2.167 117 2HG LYS 12 1HG LYS 12 15.918 1.167 2.365 118 1HD LYS 12 2HD LYS 12 16.635 2.214 4.224 119 2HD LYS 12 1HD LYS 12 16.140 3.807 3.663 120 1HE LYS 12 2HE LYS 12 14.033 1.825 4.346 121 2HE LYS 12 1HE LYS 12 14.917 2.585 5.667 122 1HZ LYS 12 1HZ LYS 12 12.787 3.694 4.838 123 2HZ LYS 12 2HZ LYS 12 13.711 4.209 3.519 124 3HZ LYS 12 3HZ LYS 12 14.141 4.677 5.086 125 H LEU 13 H LEU 13 14.976 5.738 -0.590 126 HA LEU 13 HA LEU 13 12.842 5.983 1.384 127 1HB LEU 13 2HB LEU 13 14.098 8.193 -0.243 128 2HB LEU 13 1HB LEU 13 13.049 8.371 1.150 129 HG LEU 13 HG LEU 13 15.077 8.763 2.137 130 1HD1 LEU 13 1HD1 LEU 13 14.909 5.738 2.234 131 2HD1 LEU 13 2HD1 LEU 13 14.125 6.883 3.333 132 3HD1 LEU 13 3HD1 LEU 13 15.882 6.753 3.308 133 1HD2 LEU 13 1HD2 LEU 13 17.184 7.688 1.481 134 2HD2 LEU 13 2HD2 LEU 13 16.403 8.503 0.126 135 3HD2 LEU 13 3HD2 LEU 13 16.315 6.748 0.267 136 H LEU 14 H LEU 14 13.009 4.777 -1.452 137 HA LEU 14 HA LEU 14 11.029 6.206 -2.966 138 1HB LEU 14 2HB LEU 14 11.024 4.093 -4.346 139 2HB LEU 14 1HB LEU 14 12.576 4.900 -4.219 140 HG LEU 14 HG LEU 14 12.153 2.813 -2.184 141 1HD1 LEU 14 1HD1 LEU 14 12.705 1.032 -3.923 142 2HD1 LEU 14 2HD1 LEU 14 12.099 2.178 -5.120 143 3HD1 LEU 14 3HD1 LEU 14 11.033 1.591 -3.843 144 1HD2 LEU 14 1HD2 LEU 14 14.392 2.655 -2.320 145 2HD2 LEU 14 2HD2 LEU 14 14.266 4.202 -3.157 146 3HD2 LEU 14 3HD2 LEU 14 14.396 2.706 -4.082 147 H ILE 15 H ILE 15 11.089 4.153 -0.342 148 HA ILE 15 HA ILE 15 8.545 2.862 -0.703 149 HB ILE 15 HB ILE 15 10.252 3.089 1.783 150 1HG1 ILE 15 2HG1 ILE 15 11.543 2.159 -0.064 151 2HG1 ILE 15 1HG1 ILE 15 11.191 0.921 1.140 152 1HG2 ILE 15 1HG2 ILE 15 8.615 0.693 1.298 153 2HG2 ILE 15 2HG2 ILE 15 7.708 2.173 1.625 154 3HG2 ILE 15 3HG2 ILE 15 8.897 1.591 2.790 155 1HD1 ILE 15 1HD1 ILE 15 9.601 -0.111 -0.228 156 2HD1 ILE 15 2HD1 ILE 15 10.958 0.273 -1.292 157 3HD1 ILE 15 3HD1 ILE 15 9.510 1.280 -1.312 158 H THR 16 H THR 16 9.326 5.965 -0.105 159 HA THR 16 HA THR 16 7.499 6.531 2.051 160 HB THR 16 HB THR 16 9.236 8.206 0.262 161 HG1 THR 16 1HG THR 16 9.467 8.694 2.861 162 1HG2 THR 16 1HG2 THR 16 7.731 9.867 0.449 163 2HG2 THR 16 2HG2 THR 16 8.437 10.022 2.058 164 3HG2 THR 16 3HG2 THR 16 6.929 9.135 1.837 165 H ILE 17 H ILE 17 7.474 6.848 -1.480 166 HA ILE 17 HA ILE 17 4.641 7.639 -1.274 167 HB ILE 17 HB ILE 17 6.565 9.199 -2.340 168 1HG1 ILE 17 2HG1 ILE 17 4.205 9.797 -1.867 169 2HG1 ILE 17 1HG1 ILE 17 4.785 10.466 -3.388 170 1HG2 ILE 17 1HG2 ILE 17 5.505 7.543 -4.616 171 2HG2 ILE 17 2HG2 ILE 17 7.189 7.790 -4.143 172 3HG2 ILE 17 3HG2 ILE 17 6.258 9.126 -4.827 173 1HD1 ILE 17 1HD1 ILE 17 3.423 7.859 -3.558 174 2HD1 ILE 17 2HD1 ILE 17 3.335 9.264 -4.620 175 3HD1 ILE 17 3HD1 ILE 17 2.425 9.242 -3.109 176 H HIS 18 H HIS 18 6.991 5.731 -3.120 177 HA HIS 18 HA HIS 18 5.145 4.689 -4.981 178 1HB HIS 18 2HB HIS 18 7.031 3.924 -5.889 179 2HB HIS 18 1HB HIS 18 7.918 4.459 -4.470 180 HD1 HIS 18 1HD HIS 18 7.736 2.517 -2.416 181 HD2 HIS 18 2HD HIS 18 7.397 1.310 -6.377 182 HE1 HIS 18 1HE HIS 18 8.256 0.059 -2.416 183 HE2 HIS 18 2HE HIS 18 7.989 -0.663 -4.813 184 H ASP 19 H ASP 19 5.586 4.073 -1.684 185 HA ASP 19 HA ASP 19 4.624 1.360 -1.670 186 1HB ASP 19 2HB ASP 19 6.124 2.538 0.077 187 2HB ASP 19 1HB ASP 19 4.623 3.210 0.702 188 H ARG 20 H ARG 20 3.254 4.514 -1.663 189 HA ARG 20 HA ARG 20 0.738 3.860 -0.504 190 1HB ARG 20 2HB ARG 20 2.011 6.175 -1.713 191 2HB ARG 20 1HB ARG 20 0.305 6.062 -2.119 192 1HG ARG 20 2HG ARG 20 0.032 7.186 -0.199 193 2HG ARG 20 1HG ARG 20 0.213 5.592 0.538 194 1HD ARG 20 2HD ARG 20 2.455 5.982 1.096 195 2HD ARG 20 1HD ARG 20 2.583 7.348 -0.011 196 HE ARG 20 HE ARG 20 0.888 8.405 1.617 197 1HH1 ARG 20 1HH1 ARG 20 3.445 6.210 2.505 198 2HH1 ARG 20 2HH1 ARG 20 3.621 6.857 4.101 199 1HH2 ARG 20 1HH2 ARG 20 1.115 9.265 3.717 200 2HH2 ARG 20 2HH2 ARG 20 2.298 8.593 4.791 201 H LYS 21 H LYS 21 2.128 3.031 -3.404 202 HA LYS 21 HA LYS 21 -0.498 2.653 -4.691 203 1HB LYS 21 2HB LYS 21 1.581 2.492 -6.620 204 2HB LYS 21 1HB LYS 21 0.303 3.697 -6.492 205 1HG LYS 21 2HG LYS 21 1.642 5.197 -5.388 206 2HG LYS 21 1HG LYS 21 2.733 3.950 -4.779 207 1HD LYS 21 2HD LYS 21 3.992 5.012 -6.429 208 2HD LYS 21 1HD LYS 21 3.355 3.589 -7.252 209 1HE LYS 21 2HE LYS 21 3.197 5.655 -8.608 210 2HE LYS 21 1HE LYS 21 1.635 4.898 -8.304 211 1HZ LYS 21 1HZ LYS 21 2.382 6.863 -6.337 212 2HZ LYS 21 2HZ LYS 21 0.922 6.666 -7.168 213 3HZ LYS 21 3HZ LYS 21 2.202 7.501 -7.893 214 H GLU 22 H GLU 22 2.529 1.224 -3.769 215 HA GLU 22 HA GLU 22 2.428 -1.108 -5.318 216 1HB GLU 22 2HB GLU 22 3.855 -0.199 -2.879 217 2HB GLU 22 1HB GLU 22 3.828 -1.920 -3.207 218 1HG GLU 22 2HG GLU 22 4.541 -0.141 -5.453 219 2HG GLU 22 1HG GLU 22 5.714 -0.296 -4.142 220 H PHE 23 H PHE 23 0.224 -0.129 -3.102 221 HA PHE 23 HA PHE 23 -0.401 -2.882 -2.273 222 1HB PHE 23 2HB PHE 23 0.055 -1.416 -0.369 223 2HB PHE 23 1HB PHE 23 -1.157 -0.274 -0.940 224 HD1 PHE 23 1HD PHE 23 -0.915 -3.911 -0.117 225 HD2 PHE 23 2HD PHE 23 -3.186 -0.319 0.109 226 HE1 PHE 23 1HE PHE 23 -2.634 -5.085 1.196 227 HE2 PHE 23 2HE PHE 23 -4.909 -1.485 1.423 228 HZ PHE 23 HZ PHE 23 -4.633 -3.872 1.966 229 H ALA 24 H ALA 24 -1.898 0.195 -3.270 230 HA ALA 24 HA ALA 24 -4.408 -1.165 -3.804 231 1HB ALA 24 1HB ALA 24 -4.779 0.976 -2.971 232 2HB ALA 24 2HB ALA 24 -5.002 1.196 -4.707 233 3HB ALA 24 3HB ALA 24 -3.489 1.689 -3.942 234 H LYS 25 H LYS 25 -2.570 -2.372 -5.218 235 HA LYS 25 HA LYS 25 -2.364 -1.350 -7.902 236 1HB LYS 25 2HB LYS 25 -1.482 -3.741 -8.274 237 2HB LYS 25 1HB LYS 25 -0.556 -2.716 -7.182 238 1HG LYS 25 2HG LYS 25 -2.262 -3.884 -5.427 239 2HG LYS 25 1HG LYS 25 -2.094 -5.167 -6.634 240 1HD LYS 25 2HD LYS 25 0.111 -3.827 -5.075 241 2HD LYS 25 1HD LYS 25 -0.452 -5.493 -4.919 242 1HE LYS 25 2HE LYS 25 0.217 -5.775 -7.360 243 2HE LYS 25 1HE LYS 25 1.065 -4.238 -7.194 244 1HZ LYS 25 1HZ LYS 25 2.351 -6.402 -6.785 245 2HZ LYS 25 2HZ LYS 25 1.560 -6.436 -5.291 246 3HZ LYS 25 3HZ LYS 25 2.558 -5.130 -5.688 247 H PHE 26 H PHE 26 -3.786 -4.181 -6.411 248 HA PHE 26 HA PHE 26 -6.005 -4.198 -8.324 249 1HB PHE 26 2HB PHE 26 -5.120 -6.164 -8.967 250 2HB PHE 26 1HB PHE 26 -3.966 -6.103 -7.650 251 HD1 PHE 26 1HD PHE 26 -4.222 -7.383 -5.707 252 HD2 PHE 26 2HD PHE 26 -7.308 -7.306 -8.634 253 HE1 PHE 26 1HE PHE 26 -5.279 -9.314 -4.626 254 HE2 PHE 26 2HE PHE 26 -8.383 -9.239 -7.554 255 HZ PHE 26 HZ PHE 26 -7.370 -10.248 -5.548 256 H GLU 27 H GLU 27 -4.950 -3.843 -5.233 257 HA GLU 27 HA GLU 27 -6.747 -5.147 -3.590 258 1HB GLU 27 2HB GLU 27 -4.933 -2.835 -3.413 259 2HB GLU 27 1HB GLU 27 -6.220 -2.855 -2.230 260 1HG GLU 27 2HG GLU 27 -4.055 -4.875 -2.659 261 2HG GLU 27 1HG GLU 27 -4.398 -3.919 -1.213 262 H GLU 28 H GLU 28 -7.108 -2.088 -5.325 263 HA GLU 28 HA GLU 28 -9.502 -1.277 -4.033 264 1HB GLU 28 2HB GLU 28 -9.786 0.206 -6.029 265 2HB GLU 28 1HB GLU 28 -8.222 0.359 -5.238 266 1HG GLU 28 2HG GLU 28 -7.593 -1.483 -7.066 267 2HG GLU 28 1HG GLU 28 -8.906 -0.670 -7.918 268 H GLU 29 H GLU 29 -8.831 -3.759 -6.203 269 HA GLU 29 HA GLU 29 -11.645 -3.952 -7.047 270 1HB GLU 29 2HB GLU 29 -9.449 -5.569 -8.291 271 2HB GLU 29 1HB GLU 29 -10.975 -5.042 -8.991 272 1HG GLU 29 2HG GLU 29 -9.054 -2.930 -8.236 273 2HG GLU 29 1HG GLU 29 -8.625 -3.947 -9.611 274 H ARG 30 H ARG 30 -9.312 -5.232 -5.000 275 HA ARG 30 HA ARG 30 -10.430 -7.918 -4.911 276 1HB ARG 30 2HB ARG 30 -8.186 -8.149 -4.587 277 2HB ARG 30 1HB ARG 30 -8.014 -6.561 -3.861 278 1HG ARG 30 2HG ARG 30 -7.678 -7.709 -1.973 279 2HG ARG 30 1HG ARG 30 -9.433 -7.870 -1.951 280 1HD ARG 30 2HD ARG 30 -9.210 -10.003 -3.187 281 2HD ARG 30 1HD ARG 30 -7.457 -9.849 -3.073 282 HE ARG 30 HE ARG 30 -9.297 -10.343 -0.839 283 1HH1 ARG 30 1HH1 ARG 30 -6.062 -10.171 -2.123 284 2HH1 ARG 30 2HH1 ARG 30 -5.335 -10.920 -0.740 285 1HH2 ARG 30 1HH2 ARG 30 -8.349 -11.327 0.985 286 2HH2 ARG 30 2HH2 ARG 30 -6.636 -11.576 1.027 287 H ALA 31 H ALA 31 -9.931 -5.219 -2.654 288 HA ALA 31 HA ALA 31 -11.653 -6.357 -0.667 289 1HB ALA 31 1HB ALA 31 -10.073 -3.844 -0.928 290 2HB ALA 31 2HB ALA 31 -10.011 -5.088 0.320 291 3HB ALA 31 3HB ALA 31 -11.346 -3.936 0.289 292 H ARG 32 H ARG 32 -12.412 -5.229 -3.540 293 HA ARG 32 HA ARG 32 -14.729 -3.636 -2.682 294 1HB ARG 32 2HB ARG 32 -12.930 -3.252 -4.763 295 2HB ARG 32 1HB ARG 32 -14.350 -3.913 -5.559 296 1HG ARG 32 2HG ARG 32 -14.295 -1.434 -5.467 297 2HG ARG 32 1HG ARG 32 -15.727 -2.147 -4.724 298 1HD ARG 32 2HD ARG 32 -14.048 -2.023 -2.601 299 2HD ARG 32 1HD ARG 32 -13.534 -0.603 -3.516 300 HE ARG 32 HE ARG 32 -16.390 -0.863 -3.108 301 1HH1 ARG 32 1HH1 ARG 32 -13.387 0.499 -1.983 302 2HH1 ARG 32 2HH1 ARG 32 -14.152 1.749 -1.060 303 1HH2 ARG 32 1HH2 ARG 32 -17.404 0.777 -1.894 304 2HH2 ARG 32 2HH2 ARG 32 -16.434 1.907 -1.008 305 H ALA 33 H ALA 33 -14.022 -6.057 -5.189 306 HA ALA 33 HA ALA 33 -16.578 -6.864 -5.723 307 1HB ALA 33 1HB ALA 33 -13.952 -7.834 -6.213 308 2HB ALA 33 2HB ALA 33 -15.435 -8.145 -7.118 309 3HB ALA 33 3HB ALA 33 -14.984 -9.197 -5.776 310 H LYS 34 H LYS 34 -14.756 -7.481 -2.843 311 HA LYS 34 HA LYS 34 -15.981 -9.798 -1.893 312 1HB LYS 34 2HB LYS 34 -15.582 -8.728 0.411 313 2HB LYS 34 1HB LYS 34 -14.175 -9.029 -0.599 314 1HG LYS 34 2HG LYS 34 -14.028 -6.715 -1.183 315 2HG LYS 34 1HG LYS 34 -15.581 -6.378 -0.421 316 1HD LYS 34 2HD LYS 34 -13.556 -5.705 0.911 317 2HD LYS 34 1HD LYS 34 -14.703 -6.750 1.753 318 1HE LYS 34 2HE LYS 34 -12.524 -8.106 0.289 319 2HE LYS 34 1HE LYS 34 -12.044 -7.175 1.707 320 1HZ LYS 34 1HZ LYS 34 -14.283 -9.090 1.859 321 2HZ LYS 34 2HZ LYS 34 -13.301 -8.505 3.105 322 3HZ LYS 34 3HZ LYS 34 -12.684 -9.628 2.001 323 H TRP 35 H TRP 35 -16.832 -6.433 -1.214 324 HA TRP 35 HA TRP 35 -19.486 -7.250 -0.336 325 1HB TRP 35 2HB TRP 35 -19.669 -4.828 0.308 326 2HB TRP 35 1HB TRP 35 -18.404 -5.709 1.148 327 HD1 TRP 35 HD TRP 35 -18.384 -3.899 -2.280 328 HE1 TRP 35 1HE TRP 35 -16.458 -2.247 -2.268 329 HE3 TRP 35 3HE TRP 35 -16.662 -4.685 2.461 330 HZ2 TRP 35 2HZ TRP 35 -14.421 -1.359 -0.506 331 HZ3 TRP 35 3HZ TRP 35 -14.709 -3.408 3.227 332 HH2 TRP 35 HH TRP 35 -13.613 -1.775 1.779 333 H ASP 36 H ASP 36 -17.961 -6.496 -3.101 334 HA ASP 36 HA ASP 36 -20.343 -5.249 -4.308 335 1HB ASP 36 2HB ASP 36 -17.540 -4.547 -4.430 336 2HB ASP 36 1HB ASP 36 -18.151 -4.909 -6.047 Start of MODEL 10 1 1H MET 1 1HT MET 1 14.788 -5.789 -2.100 2 2H MET 1 2HT MET 1 15.770 -5.763 -3.477 3 3H MET 1 3HT MET 1 14.447 -4.714 -3.363 4 HA MET 1 HA MET 1 16.974 -4.047 -2.773 5 1HB MET 1 2HB MET 1 14.448 -2.912 -1.565 6 2HB MET 1 1HB MET 1 15.975 -2.061 -1.748 7 1HG MET 1 2HG MET 1 14.308 -3.119 -4.020 8 2HG MET 1 1HG MET 1 14.306 -1.450 -3.449 9 1HE MET 1 1HE MET 1 16.990 -0.944 -2.599 10 2HE MET 1 2HE MET 1 16.822 0.232 -3.902 11 3HE MET 1 3HE MET 1 18.234 -0.824 -3.842 12 H TRP 2 H TRP 2 15.232 -3.202 0.005 13 HA TRP 2 HA TRP 2 16.975 -4.881 1.660 14 1HB TRP 2 2HB TRP 2 15.837 -2.622 3.016 15 2HB TRP 2 1HB TRP 2 17.536 -3.001 2.752 16 HD1 TRP 2 HD TRP 2 18.774 -1.465 1.055 17 HE1 TRP 2 1HE TRP 2 18.057 0.476 -0.483 18 HE3 TRP 2 3HE TRP 2 13.736 -1.899 1.517 19 HZ2 TRP 2 2HZ TRP 2 15.609 1.649 -1.326 20 HZ3 TRP 2 3HZ TRP 2 12.292 -0.331 0.347 21 HH2 TRP 2 HH TRP 2 13.216 1.410 -1.066 22 H LYS 3 H LYS 3 14.279 -2.964 2.874 23 HA LYS 3 HA LYS 3 13.064 -5.396 3.923 24 1HB LYS 3 2HB LYS 3 11.802 -4.054 5.346 25 2HB LYS 3 1HB LYS 3 13.378 -3.295 5.349 26 1HG LYS 3 2HG LYS 3 10.790 -2.377 4.151 27 2HG LYS 3 1HG LYS 3 11.807 -1.564 5.332 28 1HD LYS 3 2HD LYS 3 13.348 -0.895 3.704 29 2HD LYS 3 1HD LYS 3 12.766 -2.094 2.550 30 1HE LYS 3 2HE LYS 3 11.051 0.175 3.523 31 2HE LYS 3 1HE LYS 3 12.109 0.315 2.118 32 1HZ LYS 3 1HZ LYS 3 10.480 -2.026 2.023 33 2HZ LYS 3 2HZ LYS 3 10.693 -0.812 0.866 34 3HZ LYS 3 3HZ LYS 3 9.554 -0.612 2.101 35 H VAL 4 H VAL 4 12.832 -3.281 1.389 36 HA VAL 4 HA VAL 4 10.272 -2.947 0.750 37 HB VAL 4 HB VAL 4 12.449 -2.324 -0.521 38 1HG1 VAL 4 1HG1 VAL 4 11.723 -4.986 -1.708 39 2HG1 VAL 4 2HG1 VAL 4 13.306 -4.395 -1.192 40 3HG1 VAL 4 3HG1 VAL 4 12.562 -3.757 -2.659 41 1HG2 VAL 4 1HG2 VAL 4 9.841 -2.017 -1.075 42 2HG2 VAL 4 2HG2 VAL 4 10.355 -2.931 -2.493 43 3HG2 VAL 4 3HG2 VAL 4 11.141 -1.403 -2.094 44 H GLY 5 H GLY 5 12.183 -5.872 0.166 45 1HA GLY 5 2HA GLY 5 10.605 -7.313 -1.452 46 2HA GLY 5 1HA GLY 5 11.449 -8.056 -0.100 47 H PHE 6 H PHE 6 9.985 -6.802 1.972 48 HA PHE 6 HA PHE 6 7.333 -7.921 1.472 49 1HB PHE 6 2HB PHE 6 7.359 -8.397 4.021 50 2HB PHE 6 1HB PHE 6 8.250 -9.478 2.953 51 HD1 PHE 6 1HD PHE 6 8.588 -6.676 5.331 52 HD2 PHE 6 2HD PHE 6 10.590 -9.721 3.135 53 HE1 PHE 6 1HE PHE 6 10.631 -6.267 6.639 54 HE2 PHE 6 2HE PHE 6 12.638 -9.319 4.438 55 HZ PHE 6 HZ PHE 6 12.661 -7.591 6.193 56 H PHE 7 H PHE 7 8.753 -5.117 1.681 57 HA PHE 7 HA PHE 7 6.865 -3.930 3.579 58 1HB PHE 7 2HB PHE 7 9.519 -3.529 3.316 59 2HB PHE 7 1HB PHE 7 8.893 -2.226 2.312 60 HD1 PHE 7 1HD PHE 7 9.211 -0.286 3.497 61 HD2 PHE 7 2HD PHE 7 7.532 -3.655 5.475 62 HE1 PHE 7 1HE PHE 7 8.802 1.099 5.480 63 HE2 PHE 7 2HE PHE 7 7.108 -2.276 7.469 64 HZ PHE 7 HZ PHE 7 7.743 0.105 7.477 65 H LYS 8 H LYS 8 7.931 -3.609 0.214 66 HA LYS 8 HA LYS 8 6.311 -1.409 -0.373 67 1HB LYS 8 2HB LYS 8 6.510 -2.220 -2.777 68 2HB LYS 8 1HB LYS 8 7.987 -1.841 -1.904 69 1HG LYS 8 2HG LYS 8 7.787 -3.978 -3.417 70 2HG LYS 8 1HG LYS 8 8.735 -3.960 -1.939 71 1HD LYS 8 2HD LYS 8 7.564 -5.958 -1.808 72 2HD LYS 8 1HD LYS 8 6.613 -4.861 -0.806 73 1HE LYS 8 2HE LYS 8 5.716 -6.405 -2.952 74 2HE LYS 8 1HE LYS 8 4.831 -5.159 -2.072 75 1HZ LYS 8 1HZ LYS 8 6.559 -4.633 -4.431 76 2HZ LYS 8 2HZ LYS 8 5.550 -3.526 -3.646 77 3HZ LYS 8 3HZ LYS 8 4.879 -4.819 -4.505 78 H ARG 9 H ARG 9 5.424 -4.463 0.497 79 HA ARG 9 HA ARG 9 2.787 -4.232 -0.783 80 1HB ARG 9 2HB ARG 9 3.397 -6.347 -1.421 81 2HB ARG 9 1HB ARG 9 4.516 -6.541 -0.083 82 1HG ARG 9 2HG ARG 9 2.055 -6.539 1.152 83 2HG ARG 9 1HG ARG 9 1.761 -7.411 -0.353 84 1HD ARG 9 2HD ARG 9 4.247 -8.162 0.991 85 2HD ARG 9 1HD ARG 9 2.797 -8.496 1.937 86 HE ARG 9 HE ARG 9 3.030 -9.445 -0.836 87 1HH1 ARG 9 1HH1 ARG 9 2.592 -10.057 2.565 88 2HH1 ARG 9 2HH1 ARG 9 2.180 -11.725 2.343 89 1HH2 ARG 9 1HH2 ARG 9 2.487 -11.642 -1.138 90 2HH2 ARG 9 2HH2 ARG 9 2.121 -12.626 0.239 91 H ASN 10 H ASN 10 4.607 -4.162 2.074 92 HA ASN 10 HA ASN 10 2.305 -4.463 3.844 93 1HB ASN 10 2HB ASN 10 4.203 -5.674 4.589 94 2HB ASN 10 1HB ASN 10 5.282 -4.312 4.278 95 1HD2 ASN 10 1HD2 ASN 10 2.197 -4.627 6.009 96 2HD2 ASN 10 2HD2 ASN 10 2.770 -3.974 7.501 97 H ARG 11 H ARG 11 5.109 -2.332 4.139 98 HA ARG 11 HA ARG 11 5.331 -0.127 4.607 99 1HB ARG 11 2HB ARG 11 4.310 0.267 2.456 100 2HB ARG 11 1HB ARG 11 2.710 0.050 3.144 101 1HG ARG 11 2HG ARG 11 2.651 2.261 3.357 102 2HG ARG 11 1HG ARG 11 3.785 2.054 4.693 103 1HD ARG 11 2HD ARG 11 4.633 2.384 1.823 104 2HD ARG 11 1HD ARG 11 4.458 3.733 2.943 105 HE ARG 11 HE ARG 11 6.438 1.565 3.172 106 1HH1 ARG 11 1HH1 ARG 11 5.287 4.745 4.013 107 2HH1 ARG 11 2HH1 ARG 11 6.744 5.196 4.834 108 1HH2 ARG 11 1HH2 ARG 11 8.363 2.153 4.244 109 2HH2 ARG 11 2HH2 ARG 11 8.492 3.723 4.965 110 1H LYS 12 1HT LYS 12 16.282 3.790 -1.139 111 2H LYS 12 2HT LYS 12 17.035 4.470 0.214 112 3H LYS 12 3HT LYS 12 15.750 5.277 -0.532 113 HA LYS 12 HA LYS 12 14.806 2.777 0.084 114 1HB LYS 12 2HB LYS 12 16.778 2.633 1.595 115 2HB LYS 12 1HB LYS 12 16.127 4.007 2.488 116 1HG LYS 12 2HG LYS 12 13.972 2.347 2.387 117 2HG LYS 12 1HG LYS 12 15.313 1.198 2.507 118 1HD LYS 12 2HD LYS 12 15.158 1.565 4.697 119 2HD LYS 12 1HD LYS 12 15.994 3.082 4.365 120 1HE LYS 12 2HE LYS 12 13.496 3.861 3.857 121 2HE LYS 12 1HE LYS 12 13.142 2.565 4.998 122 1HZ LYS 12 1HZ LYS 12 14.866 3.694 6.471 123 2HZ LYS 12 2HZ LYS 12 13.364 4.456 6.310 124 3HZ LYS 12 3HZ LYS 12 14.700 5.034 5.450 125 H LEU 13 H LEU 13 14.715 6.085 0.102 126 HA LEU 13 HA LEU 13 12.314 6.060 1.756 127 1HB LEU 13 2HB LEU 13 14.113 8.250 0.776 128 2HB LEU 13 1HB LEU 13 12.486 8.621 1.320 129 HG LEU 13 HG LEU 13 12.946 8.079 3.529 130 1HD1 LEU 13 1HD1 LEU 13 13.974 5.807 2.865 131 2HD1 LEU 13 2HD1 LEU 13 14.565 6.591 4.338 132 3HD1 LEU 13 3HD1 LEU 13 15.516 6.676 2.858 133 1HD2 LEU 13 1HD2 LEU 13 15.643 8.828 3.529 134 2HD2 LEU 13 2HD2 LEU 13 14.236 9.867 3.749 135 3HD2 LEU 13 3HD2 LEU 13 14.916 9.635 2.139 136 H LEU 14 H LEU 14 12.768 5.010 -1.002 137 HA LEU 14 HA LEU 14 10.973 6.557 -2.671 138 1HB LEU 14 2HB LEU 14 11.325 4.724 -4.290 139 2HB LEU 14 1HB LEU 14 12.834 5.424 -3.737 140 HG LEU 14 HG LEU 14 12.296 3.240 -2.011 141 1HD1 LEU 14 1HD1 LEU 14 12.282 1.414 -3.744 142 2HD1 LEU 14 2HD1 LEU 14 11.792 2.635 -4.917 143 3HD1 LEU 14 3HD1 LEU 14 10.759 2.277 -3.532 144 1HD2 LEU 14 1HD2 LEU 14 14.498 3.313 -2.315 145 2HD2 LEU 14 2HD2 LEU 14 14.337 4.202 -3.829 146 3HD2 LEU 14 3HD2 LEU 14 14.234 2.442 -3.826 147 H ILE 15 H ILE 15 10.835 4.322 -0.236 148 HA ILE 15 HA ILE 15 8.444 2.932 -1.058 149 HB ILE 15 HB ILE 15 10.016 2.904 1.529 150 1HG1 ILE 15 2HG1 ILE 15 11.198 2.085 -0.489 151 2HG1 ILE 15 1HG1 ILE 15 10.948 0.836 0.726 152 1HG2 ILE 15 1HG2 ILE 15 8.282 0.617 0.866 153 2HG2 ILE 15 2HG2 ILE 15 7.431 2.099 1.301 154 3HG2 ILE 15 3HG2 ILE 15 8.593 1.392 2.421 155 1HD1 ILE 15 1HD1 ILE 15 9.223 -0.167 -0.531 156 2HD1 ILE 15 2HD1 ILE 15 10.554 0.152 -1.649 157 3HD1 ILE 15 3HD1 ILE 15 9.142 1.206 -1.637 158 H THR 16 H THR 16 8.849 5.981 -0.241 159 HA THR 16 HA THR 16 6.744 6.189 1.763 160 HB THR 16 HB THR 16 8.873 7.611 1.757 161 HG1 THR 16 1HG THR 16 7.352 8.303 3.121 162 1HG2 THR 16 1HG2 THR 16 7.925 9.822 0.366 163 2HG2 THR 16 2HG2 THR 16 7.763 8.469 -0.753 164 3HG2 THR 16 3HG2 THR 16 9.330 8.833 -0.028 165 H ILE 17 H ILE 17 7.251 6.680 -1.663 166 HA ILE 17 HA ILE 17 4.430 7.497 -1.891 167 HB ILE 17 HB ILE 17 6.401 9.123 -2.600 168 1HG1 ILE 17 2HG1 ILE 17 3.912 9.474 -2.748 169 2HG1 ILE 17 1HG1 ILE 17 4.850 10.292 -3.991 170 1HG2 ILE 17 1HG2 ILE 17 6.146 7.229 -4.898 171 2HG2 ILE 17 2HG2 ILE 17 7.597 7.927 -4.175 172 3HG2 ILE 17 3HG2 ILE 17 6.546 8.925 -5.178 173 1HD1 ILE 17 1HD1 ILE 17 3.262 7.757 -4.309 174 2HD1 ILE 17 2HD1 ILE 17 4.282 8.470 -5.557 175 3HD1 ILE 17 3HD1 ILE 17 2.873 9.347 -4.962 176 H HIS 18 H HIS 18 7.053 5.635 -3.397 177 HA HIS 18 HA HIS 18 5.495 4.559 -5.487 178 1HB HIS 18 2HB HIS 18 7.557 3.941 -6.084 179 2HB HIS 18 1HB HIS 18 8.171 4.226 -4.463 180 HD1 HIS 18 1HD HIS 18 7.589 2.079 -2.765 181 HD2 HIS 18 2HD HIS 18 7.777 1.370 -6.852 182 HE1 HIS 18 1HE HIS 18 7.968 -0.395 -3.001 183 HE2 HIS 18 2HE HIS 18 7.960 -0.816 -5.484 184 H ASP 19 H ASP 19 5.914 3.678 -2.143 185 HA ASP 19 HA ASP 19 4.705 1.100 -2.355 186 1HB ASP 19 2HB ASP 19 6.226 2.099 -0.470 187 2HB ASP 19 1HB ASP 19 4.700 2.680 0.188 188 H ARG 20 H ARG 20 3.575 4.333 -2.160 189 HA ARG 20 HA ARG 20 0.998 3.850 -1.092 190 1HB ARG 20 2HB ARG 20 2.473 6.078 -2.121 191 2HB ARG 20 1HB ARG 20 0.882 6.055 -2.867 192 1HG ARG 20 2HG ARG 20 0.715 7.406 -0.936 193 2HG ARG 20 1HG ARG 20 -0.092 5.883 -0.560 194 1HD ARG 20 2HD ARG 20 2.756 5.896 0.098 195 2HD ARG 20 1HD ARG 20 1.821 7.106 0.980 196 HE ARG 20 HE ARG 20 1.209 4.220 0.994 197 1HH1 ARG 20 1HH1 ARG 20 1.328 7.337 2.546 198 2HH1 ARG 20 2HH1 ARG 20 0.720 6.750 4.058 199 1HH2 ARG 20 1HH2 ARG 20 0.405 3.439 2.980 200 2HH2 ARG 20 2HH2 ARG 20 0.196 4.535 4.304 201 H LYS 21 H LYS 21 2.441 3.034 -3.989 202 HA LYS 21 HA LYS 21 -0.150 2.717 -5.344 203 1HB LYS 21 2HB LYS 21 2.046 2.311 -7.132 204 2HB LYS 21 1HB LYS 21 0.791 3.540 -7.195 205 1HG LYS 21 2HG LYS 21 2.076 5.100 -6.072 206 2HG LYS 21 1HG LYS 21 3.144 3.875 -5.381 207 1HD LYS 21 2HD LYS 21 4.506 4.707 -7.023 208 2HD LYS 21 1HD LYS 21 3.697 3.422 -7.922 209 1HE LYS 21 2HE LYS 21 3.379 5.119 -9.399 210 2HE LYS 21 1HE LYS 21 1.961 5.383 -8.386 211 1HZ LYS 21 1HZ LYS 21 4.264 7.047 -8.770 212 2HZ LYS 21 2HZ LYS 21 3.913 6.797 -7.134 213 3HZ LYS 21 3HZ LYS 21 2.735 7.443 -8.162 214 H GLU 22 H GLU 22 2.862 1.172 -4.427 215 HA GLU 22 HA GLU 22 2.424 -1.309 -5.692 216 1HB GLU 22 2HB GLU 22 4.168 -0.304 -3.475 217 2HB GLU 22 1HB GLU 22 4.056 -2.025 -3.776 218 1HG GLU 22 2HG GLU 22 4.718 -0.108 -5.970 219 2HG GLU 22 1HG GLU 22 5.957 -0.710 -4.864 220 H PHE 23 H PHE 23 0.941 0.201 -3.079 221 HA PHE 23 HA PHE 23 0.172 -2.269 -1.737 222 1HB PHE 23 2HB PHE 23 0.788 -0.418 -0.302 223 2HB PHE 23 1HB PHE 23 -0.358 0.642 -1.110 224 HD1 PHE 23 1HD PHE 23 -2.505 0.885 -0.288 225 HD2 PHE 23 2HD PHE 23 -0.170 -2.454 0.941 226 HE1 PHE 23 1HE PHE 23 -4.227 0.299 1.369 227 HE2 PHE 23 2HE PHE 23 -1.889 -3.048 2.599 228 HZ PHE 23 HZ PHE 23 -3.920 -1.671 2.815 229 H ALA 24 H ALA 24 -1.218 0.326 -3.671 230 HA ALA 24 HA ALA 24 -3.883 -0.797 -3.475 231 1HB ALA 24 1HB ALA 24 -4.219 1.426 -3.678 232 2HB ALA 24 2HB ALA 24 -4.107 1.084 -5.404 233 3HB ALA 24 3HB ALA 24 -2.698 1.686 -4.531 234 H LYS 25 H LYS 25 -2.311 -2.712 -4.389 235 HA LYS 25 HA LYS 25 -2.212 -2.867 -7.254 236 1HB LYS 25 2HB LYS 25 -1.810 -5.356 -6.645 237 2HB LYS 25 1HB LYS 25 -0.599 -4.183 -6.139 238 1HG LYS 25 2HG LYS 25 -2.310 -4.206 -3.991 239 2HG LYS 25 1HG LYS 25 -2.348 -5.890 -4.533 240 1HD LYS 25 2HD LYS 25 -0.005 -4.263 -3.595 241 2HD LYS 25 1HD LYS 25 -0.610 -5.793 -2.961 242 1HE LYS 25 2HE LYS 25 0.835 -5.332 -5.565 243 2HE LYS 25 1HE LYS 25 1.407 -6.238 -4.167 244 1HZ LYS 25 1HZ LYS 25 -0.924 -6.982 -5.849 245 2HZ LYS 25 2HZ LYS 25 -0.322 -7.866 -4.538 246 3HZ LYS 25 3HZ LYS 25 0.610 -7.691 -5.939 247 H PHE 26 H PHE 26 -3.978 -4.453 -4.702 248 HA PHE 26 HA PHE 26 -6.301 -4.870 -6.442 249 1HB PHE 26 2HB PHE 26 -6.077 -7.054 -5.983 250 2HB PHE 26 1HB PHE 26 -4.673 -6.704 -5.000 251 HD1 PHE 26 1HD PHE 26 -8.222 -7.505 -4.973 252 HD2 PHE 26 2HD PHE 26 -4.852 -6.461 -2.594 253 HE1 PHE 26 1HE PHE 26 -9.416 -8.256 -2.957 254 HE2 PHE 26 2HE PHE 26 -6.038 -7.207 -0.575 255 HZ PHE 26 HZ PHE 26 -8.325 -8.107 -0.753 256 H GLU 27 H GLU 27 -4.896 -3.479 -3.775 257 HA GLU 27 HA GLU 27 -6.963 -3.313 -1.896 258 1HB GLU 27 2HB GLU 27 -4.410 -1.912 -2.475 259 2HB GLU 27 1HB GLU 27 -5.540 -1.080 -1.431 260 1HG GLU 27 2HG GLU 27 -4.185 -3.713 -0.996 261 2HG GLU 27 1HG GLU 27 -4.110 -2.254 -0.003 262 H GLU 28 H GLU 28 -6.258 -1.565 -4.822 263 HA GLU 28 HA GLU 28 -8.021 0.633 -4.320 264 1HB GLU 28 2HB GLU 28 -7.585 1.281 -6.588 265 2HB GLU 28 1HB GLU 28 -6.074 0.701 -5.901 266 1HG GLU 28 2HG GLU 28 -6.320 -1.411 -7.047 267 2HG GLU 28 1HG GLU 28 -7.897 -0.920 -7.664 268 H GLU 29 H GLU 29 -8.546 -2.565 -4.903 269 HA GLU 29 HA GLU 29 -11.197 -2.065 -6.087 270 1HB GLU 29 2HB GLU 29 -9.625 -4.635 -6.306 271 2HB GLU 29 1HB GLU 29 -11.096 -4.201 -7.170 272 1HG GLU 29 2HG GLU 29 -8.487 -2.744 -7.487 273 2HG GLU 29 1HG GLU 29 -8.988 -4.092 -8.510 274 H ARG 30 H ARG 30 -9.449 -3.141 -3.423 275 HA ARG 30 HA ARG 30 -11.587 -4.849 -2.405 276 1HB ARG 30 2HB ARG 30 -9.516 -5.849 -2.015 277 2HB ARG 30 1HB ARG 30 -8.741 -4.324 -1.616 278 1HG ARG 30 2HG ARG 30 -10.899 -5.214 0.193 279 2HG ARG 30 1HG ARG 30 -9.413 -6.164 0.203 280 1HD ARG 30 2HD ARG 30 -8.449 -3.611 0.253 281 2HD ARG 30 1HD ARG 30 -9.929 -3.455 1.198 282 HE ARG 30 HE ARG 30 -7.528 -4.856 1.945 283 1HH1 ARG 30 1HH1 ARG 30 -10.961 -4.560 2.468 284 2HH1 ARG 30 2HH1 ARG 30 -10.904 -5.220 4.068 285 1HH2 ARG 30 1HH2 ARG 30 -7.442 -5.724 4.049 286 2HH2 ARG 30 2HH2 ARG 30 -8.902 -5.881 4.969 287 H ALA 31 H ALA 31 -10.111 -1.729 -1.911 288 HA ALA 31 HA ALA 31 -11.807 -1.233 0.423 289 1HB ALA 31 1HB ALA 31 -10.109 0.979 -0.139 290 2HB ALA 31 2HB ALA 31 -9.148 -0.498 -0.223 291 3HB ALA 31 3HB ALA 31 -10.065 -0.123 1.236 292 H ARG 32 H ARG 32 -11.892 -0.899 -2.834 293 HA ARG 32 HA ARG 32 -13.260 1.681 -2.855 294 1HB ARG 32 2HB ARG 32 -11.639 0.351 -4.697 295 2HB ARG 32 1HB ARG 32 -13.261 0.225 -5.364 296 1HG ARG 32 2HG ARG 32 -11.952 2.204 -6.136 297 2HG ARG 32 1HG ARG 32 -13.516 2.587 -5.412 298 1HD ARG 32 2HD ARG 32 -11.938 2.703 -3.230 299 2HD ARG 32 1HD ARG 32 -10.785 3.195 -4.474 300 HE ARG 32 HE ARG 32 -13.290 4.579 -4.646 301 1HH1 ARG 32 1HH1 ARG 32 -10.179 4.523 -3.077 302 2HH1 ARG 32 2HH1 ARG 32 -10.188 6.217 -2.717 303 1HH2 ARG 32 1HH2 ARG 32 -13.312 6.804 -4.179 304 2HH2 ARG 32 2HH2 ARG 32 -11.971 7.516 -3.344 305 H ALA 33 H ALA 33 -13.895 -1.557 -4.159 306 HA ALA 33 HA ALA 33 -16.556 -1.244 -4.724 307 1HB ALA 33 1HB ALA 33 -14.761 -3.304 -4.818 308 2HB ALA 33 2HB ALA 33 -16.462 -3.403 -5.274 309 3HB ALA 33 3HB ALA 33 -15.953 -3.888 -3.657 310 H LYS 34 H LYS 34 -15.153 -1.374 -1.565 311 HA LYS 34 HA LYS 34 -17.403 -2.420 -0.195 312 1HB LYS 34 2HB LYS 34 -16.184 -0.558 1.537 313 2HB LYS 34 1HB LYS 34 -16.028 -2.302 1.551 314 1HG LYS 34 2HG LYS 34 -13.992 -2.264 0.494 315 2HG LYS 34 1HG LYS 34 -14.281 -0.696 -0.269 316 1HD LYS 34 2HD LYS 34 -12.711 -0.270 1.430 317 2HD LYS 34 1HD LYS 34 -14.256 0.275 2.085 318 1HE LYS 34 2HE LYS 34 -12.870 -1.019 3.698 319 2HE LYS 34 1HE LYS 34 -14.468 -1.707 3.409 320 1HZ LYS 34 1HZ LYS 34 -13.596 -3.464 2.232 321 2HZ LYS 34 2HZ LYS 34 -12.402 -3.234 3.409 322 3HZ LYS 34 3HZ LYS 34 -12.164 -2.651 1.839 323 H TRP 35 H TRP 35 -16.394 0.868 -0.975 324 HA TRP 35 HA TRP 35 -19.023 1.850 -0.125 325 1HB TRP 35 2HB TRP 35 -17.942 4.107 -0.270 326 2HB TRP 35 1HB TRP 35 -17.224 3.048 0.937 327 HD1 TRP 35 HD TRP 35 -16.507 3.294 -2.856 328 HE1 TRP 35 1HE TRP 35 -14.025 3.737 -3.152 329 HE3 TRP 35 3HE TRP 35 -15.134 3.632 2.056 330 HZ2 TRP 35 2HZ TRP 35 -11.736 4.172 -1.550 331 HZ3 TRP 35 3HZ TRP 35 -12.769 4.058 2.585 332 HH2 TRP 35 HH TRP 35 -11.107 4.319 0.819 333 H ASP 36 H ASP 36 -17.452 0.802 -2.791 334 HA ASP 36 HA ASP 36 -18.823 2.652 -4.616 335 1HB ASP 36 2HB ASP 36 -16.188 1.542 -4.597 336 2HB ASP 36 1HB ASP 36 -17.037 0.928 -6.017 Start of MODEL 11 1 1H MET 1 1HT MET 1 13.200 -5.077 -5.865 2 2H MET 1 2HT MET 1 12.252 -4.754 -4.503 3 3H MET 1 3HT MET 1 13.381 -6.013 -4.468 4 HA MET 1 HA MET 1 14.898 -3.876 -5.141 5 1HB MET 1 2HB MET 1 12.896 -3.054 -3.033 6 2HB MET 1 1HB MET 1 14.297 -2.124 -3.542 7 1HG MET 1 2HG MET 1 11.923 -2.835 -5.248 8 2HG MET 1 1HG MET 1 12.264 -1.258 -4.537 9 1HE MET 1 1HE MET 1 14.963 -0.863 -4.586 10 2HE MET 1 2HE MET 1 14.773 0.334 -5.870 11 3HE MET 1 3HE MET 1 15.920 -0.992 -6.064 12 H TRP 2 H TRP 2 14.217 -3.469 -1.875 13 HA TRP 2 HA TRP 2 16.314 -5.383 -1.131 14 1HB TRP 2 2HB TRP 2 15.829 -3.350 0.823 15 2HB TRP 2 1HB TRP 2 17.308 -3.666 -0.076 16 HD1 TRP 2 HD TRP 2 17.947 -1.883 -1.856 17 HE1 TRP 2 1HE TRP 2 16.830 0.264 -2.734 18 HE3 TRP 2 3HE TRP 2 13.342 -2.393 0.312 19 HZ2 TRP 2 2HZ TRP 2 14.328 1.545 -2.489 20 HZ3 TRP 2 3HZ TRP 2 11.670 -0.646 -0.081 21 HH2 TRP 2 HH TRP 2 12.162 1.281 -1.459 22 H LYS 3 H LYS 3 14.273 -3.588 1.073 23 HA LYS 3 HA LYS 3 13.347 -6.061 2.304 24 1HB LYS 3 2HB LYS 3 12.801 -4.776 4.165 25 2HB LYS 3 1HB LYS 3 14.240 -3.964 3.567 26 1HG LYS 3 2HG LYS 3 11.665 -2.964 2.535 27 2HG LYS 3 1HG LYS 3 11.934 -2.743 4.260 28 1HD LYS 3 2HD LYS 3 13.919 -1.482 3.862 29 2HD LYS 3 1HD LYS 3 13.892 -1.885 2.142 30 1HE LYS 3 2HE LYS 3 12.193 -0.411 1.678 31 2HE LYS 3 1HE LYS 3 11.497 -0.574 3.283 32 1HZ LYS 3 1HZ LYS 3 13.920 0.597 3.721 33 2HZ LYS 3 2HZ LYS 3 12.417 1.368 3.742 34 3HZ LYS 3 3HZ LYS 3 13.344 1.364 2.327 35 H VAL 4 H VAL 4 12.386 -3.547 0.292 36 HA VAL 4 HA VAL 4 9.822 -3.077 0.585 37 HB VAL 4 HB VAL 4 11.480 -2.449 -1.320 38 1HG1 VAL 4 1HG1 VAL 4 11.758 -4.453 -2.492 39 2HG1 VAL 4 2HG1 VAL 4 10.614 -3.550 -3.486 40 3HG1 VAL 4 3HG1 VAL 4 10.037 -4.840 -2.426 41 1HG2 VAL 4 1HG2 VAL 4 8.951 -1.812 -0.792 42 2HG2 VAL 4 2HG2 VAL 4 8.722 -2.592 -2.357 43 3HG2 VAL 4 3HG2 VAL 4 9.815 -1.217 -2.207 44 H GLY 5 H GLY 5 11.091 -6.041 -0.905 45 1HA GLY 5 2HA GLY 5 8.952 -7.217 -1.989 46 2HA GLY 5 1HA GLY 5 10.065 -8.135 -0.980 47 H PHE 6 H PHE 6 9.439 -6.906 1.487 48 HA PHE 6 HA PHE 6 6.641 -7.681 1.784 49 1HB PHE 6 2HB PHE 6 7.735 -8.159 4.265 50 2HB PHE 6 1HB PHE 6 7.363 -9.383 3.058 51 HD1 PHE 6 1HD PHE 6 9.089 -10.490 1.839 52 HD2 PHE 6 2HD PHE 6 10.031 -7.333 4.533 53 HE1 PHE 6 1HE PHE 6 11.468 -11.103 1.717 54 HE2 PHE 6 2HE PHE 6 12.413 -7.939 4.417 55 HZ PHE 6 HZ PHE 6 13.135 -9.826 3.007 56 H PHE 7 H PHE 7 8.530 -5.104 1.791 57 HA PHE 7 HA PHE 7 7.432 -3.894 4.213 58 1HB PHE 7 2HB PHE 7 9.849 -3.582 2.814 59 2HB PHE 7 1HB PHE 7 8.966 -2.058 2.679 60 HD1 PHE 7 1HD PHE 7 9.172 -4.520 5.471 61 HD2 PHE 7 2HD PHE 7 9.911 -0.577 4.080 62 HE1 PHE 7 1HE PHE 7 9.894 -3.863 7.730 63 HE2 PHE 7 2HE PHE 7 10.656 0.094 6.309 64 HZ PHE 7 HZ PHE 7 10.626 -1.557 8.153 65 H LYS 8 H LYS 8 7.392 -3.446 0.708 66 HA LYS 8 HA LYS 8 6.000 -1.047 0.711 67 1HB LYS 8 2HB LYS 8 5.166 -1.858 -1.588 68 2HB LYS 8 1HB LYS 8 6.886 -1.598 -1.315 69 1HG LYS 8 2HG LYS 8 6.078 -3.697 -2.605 70 2HG LYS 8 1HG LYS 8 7.398 -3.806 -1.450 71 1HD LYS 8 2HD LYS 8 6.074 -5.675 -1.004 72 2HD LYS 8 1HD LYS 8 5.633 -4.513 0.251 73 1HE LYS 8 2HE LYS 8 3.520 -4.554 -0.393 74 2HE LYS 8 1HE LYS 8 3.968 -4.122 -2.043 75 1HZ LYS 8 1HZ LYS 8 3.623 -6.196 -2.718 76 2HZ LYS 8 2HZ LYS 8 2.915 -6.511 -1.214 77 3HZ LYS 8 3HZ LYS 8 4.552 -6.853 -1.465 78 H ARG 9 H ARG 9 5.057 -4.009 1.835 79 HA ARG 9 HA ARG 9 2.223 -3.305 1.704 80 1HB ARG 9 2HB ARG 9 1.722 -5.480 1.367 81 2HB ARG 9 1HB ARG 9 3.435 -5.732 1.082 82 1HG ARG 9 2HG ARG 9 3.697 -6.161 3.531 83 2HG ARG 9 1HG ARG 9 1.937 -6.119 3.659 84 1HD ARG 9 2HD ARG 9 3.537 -7.997 1.923 85 2HD ARG 9 1HD ARG 9 2.779 -8.411 3.460 86 HE ARG 9 HE ARG 9 1.403 -7.868 0.931 87 1HH1 ARG 9 1HH1 ARG 9 1.291 -8.828 4.279 88 2HH1 ARG 9 2HH1 ARG 9 -0.331 -9.429 4.186 89 1HH2 ARG 9 1HH2 ARG 9 -0.733 -8.658 0.799 90 2HH2 ARG 9 2HH2 ARG 9 -1.481 -9.332 2.208 91 H ASN 10 H ASN 10 4.974 -3.677 3.526 92 HA ASN 10 HA ASN 10 3.650 -3.667 6.124 93 1HB ASN 10 2HB ASN 10 6.196 -4.526 5.063 94 2HB ASN 10 1HB ASN 10 6.404 -3.450 6.418 95 1HD2 ASN 10 1HD2 ASN 10 4.252 -4.071 7.984 96 2HD2 ASN 10 2HD2 ASN 10 4.389 -5.700 8.544 97 H ARG 11 H ARG 11 6.651 -2.100 5.271 98 HA ARG 11 HA ARG 11 5.496 0.532 5.710 99 1HB ARG 11 2HB ARG 11 7.453 -0.863 7.399 100 2HB ARG 11 1HB ARG 11 7.729 0.851 7.104 101 1HG ARG 11 2HG ARG 11 6.503 0.881 9.051 102 2HG ARG 11 1HG ARG 11 5.248 1.098 7.826 103 1HD ARG 11 2HD ARG 11 5.079 -0.723 9.782 104 2HD ARG 11 1HD ARG 11 4.348 -0.940 8.190 105 HE ARG 11 HE ARG 11 6.435 -2.198 7.612 106 1HH1 ARG 11 1HH1 ARG 11 5.357 -1.921 10.918 107 2HH1 ARG 11 2HH1 ARG 11 6.138 -3.380 11.430 108 1HH2 ARG 11 1HH2 ARG 11 7.463 -4.122 8.281 109 2HH2 ARG 11 2HH2 ARG 11 7.335 -4.630 9.933 110 1H LYS 12 1HT LYS 12 17.356 3.092 -1.324 111 2H LYS 12 2HT LYS 12 16.778 4.548 -0.688 112 3H LYS 12 3HT LYS 12 16.009 3.845 -2.020 113 HA LYS 12 HA LYS 12 15.038 2.204 -0.804 114 1HB LYS 12 2HB LYS 12 17.226 1.582 0.254 115 2HB LYS 12 1HB LYS 12 16.872 2.769 1.506 116 1HG LYS 12 2HG LYS 12 14.573 1.398 1.563 117 2HG LYS 12 1HG LYS 12 15.667 0.120 1.009 118 1HD LYS 12 2HD LYS 12 15.538 0.050 3.372 119 2HD LYS 12 1HD LYS 12 17.140 0.649 2.948 120 1HE LYS 12 2HE LYS 12 15.084 2.715 3.316 121 2HE LYS 12 1HE LYS 12 15.465 1.792 4.769 122 1HZ LYS 12 1HZ LYS 12 17.139 3.230 4.983 123 2HZ LYS 12 2HZ LYS 12 17.050 3.750 3.377 124 3HZ LYS 12 3HZ LYS 12 17.908 2.345 3.763 125 H LEU 13 H LEU 13 14.981 5.312 -0.682 126 HA LEU 13 HA LEU 13 13.142 5.356 1.604 127 1HB LEU 13 2HB LEU 13 14.608 7.708 0.408 128 2HB LEU 13 1HB LEU 13 13.565 7.741 1.818 129 HG LEU 13 HG LEU 13 15.616 7.689 2.839 130 1HD1 LEU 13 1HD1 LEU 13 15.108 4.738 2.370 131 2HD1 LEU 13 2HD1 LEU 13 14.370 5.738 3.628 132 3HD1 LEU 13 3HD1 LEU 13 16.106 5.438 3.652 133 1HD2 LEU 13 1HD2 LEU 13 16.770 7.493 0.588 134 2HD2 LEU 13 2HD2 LEU 13 16.739 5.747 0.842 135 3HD2 LEU 13 3HD2 LEU 13 17.605 6.787 1.972 136 H LEU 14 H LEU 14 12.821 4.641 -1.286 137 HA LEU 14 HA LEU 14 10.983 6.637 -2.307 138 1HB LEU 14 2HB LEU 14 10.588 4.753 -4.042 139 2HB LEU 14 1HB LEU 14 12.122 5.601 -4.051 140 HG LEU 14 HG LEU 14 12.074 3.161 -2.391 141 1HD1 LEU 14 1HD1 LEU 14 12.369 1.729 -4.434 142 2HD1 LEU 14 2HD1 LEU 14 11.697 3.061 -5.376 143 3HD1 LEU 14 3HD1 LEU 14 10.723 2.283 -4.129 144 1HD2 LEU 14 1HD2 LEU 14 14.014 3.609 -4.574 145 2HD2 LEU 14 2HD2 LEU 14 14.275 3.107 -2.904 146 3HD2 LEU 14 3HD2 LEU 14 13.995 4.808 -3.280 147 H ILE 15 H ILE 15 10.916 4.383 0.010 148 HA ILE 15 HA ILE 15 8.341 3.186 -0.428 149 HB ILE 15 HB ILE 15 10.113 3.231 2.026 150 1HG1 ILE 15 2HG1 ILE 15 11.110 2.215 -0.011 151 2HG1 ILE 15 1HG1 ILE 15 10.910 1.089 1.328 152 1HG2 ILE 15 1HG2 ILE 15 8.536 0.914 1.971 153 2HG2 ILE 15 2HG2 ILE 15 7.441 2.263 1.652 154 3HG2 ILE 15 3HG2 ILE 15 8.437 2.260 3.108 155 1HD1 ILE 15 1HD1 ILE 15 9.123 0.006 0.296 156 2HD1 ILE 15 2HD1 ILE 15 10.302 0.270 -0.991 157 3HD1 ILE 15 3HD1 ILE 15 8.887 1.313 -0.865 158 H THR 16 H THR 16 8.980 6.248 0.060 159 HA THR 16 HA THR 16 7.137 6.746 2.266 160 HB THR 16 HB THR 16 9.283 8.021 2.061 161 HG1 THR 16 1HG THR 16 6.837 9.443 2.008 162 1HG2 THR 16 1HG2 THR 16 8.376 10.027 0.257 163 2HG2 THR 16 2HG2 THR 16 8.434 8.475 -0.578 164 3HG2 THR 16 3HG2 THR 16 9.873 9.096 0.229 165 H ILE 17 H ILE 17 7.299 6.954 -1.216 166 HA ILE 17 HA ILE 17 4.538 7.981 -1.226 167 HB ILE 17 HB ILE 17 6.587 9.338 -2.278 168 1HG1 ILE 17 2HG1 ILE 17 4.194 10.017 -2.103 169 2HG1 ILE 17 1HG1 ILE 17 4.982 10.576 -3.572 170 1HG2 ILE 17 1HG2 ILE 17 5.695 7.490 -4.475 171 2HG2 ILE 17 2HG2 ILE 17 7.331 7.757 -3.873 172 3HG2 ILE 17 3HG2 ILE 17 6.504 9.029 -4.773 173 1HD1 ILE 17 1HD1 ILE 17 3.655 8.008 -3.899 174 2HD1 ILE 17 2HD1 ILE 17 3.557 9.473 -4.876 175 3HD1 ILE 17 3HD1 ILE 17 2.563 9.311 -3.429 176 H HIS 18 H HIS 18 6.835 5.778 -2.762 177 HA HIS 18 HA HIS 18 5.010 4.694 -4.626 178 1HB HIS 18 2HB HIS 18 6.943 3.876 -5.374 179 2HB HIS 18 1HB HIS 18 7.745 4.296 -3.867 180 HD1 HIS 18 1HD HIS 18 7.371 2.360 -1.914 181 HD2 HIS 18 2HD HIS 18 6.893 1.232 -5.881 182 HE1 HIS 18 1HE HIS 18 7.620 -0.142 -1.936 183 HE2 HIS 18 2HE HIS 18 7.414 -0.793 -4.359 184 H ASP 19 H ASP 19 5.395 4.263 -1.264 185 HA ASP 19 HA ASP 19 4.234 1.647 -1.098 186 1HB ASP 19 2HB ASP 19 5.726 2.971 0.622 187 2HB ASP 19 1HB ASP 19 4.175 3.582 1.185 188 H ARG 20 H ARG 20 3.057 4.776 -1.621 189 HA ARG 20 HA ARG 20 0.443 4.359 -0.494 190 1HB ARG 20 2HB ARG 20 1.829 6.541 -1.927 191 2HB ARG 20 1HB ARG 20 0.074 6.521 -1.998 192 1HG ARG 20 2HG ARG 20 -0.033 7.442 0.010 193 2HG ARG 20 1HG ARG 20 0.883 6.099 0.698 194 1HD ARG 20 2HD ARG 20 2.865 7.225 0.612 195 2HD ARG 20 1HD ARG 20 2.392 8.167 -0.801 196 HE ARG 20 HE ARG 20 0.932 8.837 1.583 197 1HH1 ARG 20 1HH1 ARG 20 3.815 9.438 -0.280 198 2HH1 ARG 20 2HH1 ARG 20 4.072 11.017 0.387 199 1HH2 ARG 20 1HH2 ARG 20 1.258 10.916 2.462 200 2HH2 ARG 20 2HH2 ARG 20 2.619 11.856 1.946 201 H LYS 21 H LYS 21 2.043 3.610 -3.358 202 HA LYS 21 HA LYS 21 -0.467 3.252 -4.848 203 1HB LYS 21 2HB LYS 21 1.768 2.652 -6.481 204 2HB LYS 21 1HB LYS 21 0.673 4.025 -6.607 205 1HG LYS 21 2HG LYS 21 2.081 5.419 -5.422 206 2HG LYS 21 1HG LYS 21 2.960 4.080 -4.681 207 1HD LYS 21 2HD LYS 21 4.449 4.880 -6.290 208 2HD LYS 21 1HD LYS 21 3.682 3.506 -7.087 209 1HE LYS 21 2HE LYS 21 3.886 5.523 -8.528 210 2HE LYS 21 1HE LYS 21 2.230 4.952 -8.324 211 1HZ LYS 21 1HZ LYS 21 2.789 7.464 -8.079 212 2HZ LYS 21 2HZ LYS 21 3.261 7.024 -6.516 213 3HZ LYS 21 3HZ LYS 21 1.675 6.741 -7.029 214 H GLU 22 H GLU 22 2.219 1.656 -3.397 215 HA GLU 22 HA GLU 22 1.992 -0.842 -4.672 216 1HB GLU 22 2HB GLU 22 3.285 0.245 -2.227 217 2HB GLU 22 1HB GLU 22 3.067 -1.494 -2.319 218 1HG GLU 22 2HG GLU 22 4.222 -0.145 -4.680 219 2HG GLU 22 1HG GLU 22 5.226 -0.253 -3.229 220 H PHE 23 H PHE 23 0.002 0.819 -2.564 221 HA PHE 23 HA PHE 23 -1.140 -1.428 -1.190 222 1HB PHE 23 2HB PHE 23 -1.915 0.207 0.132 223 2HB PHE 23 1HB PHE 23 -1.238 1.401 -0.962 224 HD1 PHE 23 1HD PHE 23 -4.268 -0.336 0.096 225 HD2 PHE 23 2HD PHE 23 -2.628 2.522 -2.597 226 HE1 PHE 23 1HE PHE 23 -6.535 0.459 -0.435 227 HE2 PHE 23 2HE PHE 23 -4.892 3.322 -3.134 228 HZ PHE 23 HZ PHE 23 -6.848 2.291 -2.052 229 H ALA 24 H ALA 24 -1.705 0.394 -4.110 230 HA ALA 24 HA ALA 24 -4.240 -0.908 -4.658 231 1HB ALA 24 1HB ALA 24 -4.586 0.776 -6.077 232 2HB ALA 24 2HB ALA 24 -3.057 0.484 -6.906 233 3HB ALA 24 3HB ALA 24 -3.096 1.489 -5.456 234 H LYS 25 H LYS 25 -2.309 -2.771 -4.275 235 HA LYS 25 HA LYS 25 -1.058 -3.657 -6.691 236 1HB LYS 25 2HB LYS 25 -0.998 -5.858 -5.237 237 2HB LYS 25 1HB LYS 25 0.016 -4.485 -4.808 238 1HG LYS 25 2HG LYS 25 -0.893 -4.502 -2.785 239 2HG LYS 25 1HG LYS 25 -2.447 -4.062 -3.515 240 1HD LYS 25 2HD LYS 25 -2.705 -6.054 -2.155 241 2HD LYS 25 1HD LYS 25 -2.925 -6.464 -3.857 242 1HE LYS 25 2HE LYS 25 -0.561 -7.231 -3.917 243 2HE LYS 25 1HE LYS 25 -0.459 -6.933 -2.183 244 1HZ LYS 25 1HZ LYS 25 -0.919 -9.265 -2.716 245 2HZ LYS 25 2HZ LYS 25 -2.364 -8.813 -3.470 246 3HZ LYS 25 3HZ LYS 25 -2.165 -8.569 -1.808 247 H PHE 26 H PHE 26 -3.607 -5.010 -4.695 248 HA PHE 26 HA PHE 26 -4.863 -6.243 -7.044 249 1HB PHE 26 2HB PHE 26 -4.308 -7.926 -5.439 250 2HB PHE 26 1HB PHE 26 -4.839 -6.906 -4.106 251 HD1 PHE 26 1HD PHE 26 -7.062 -6.892 -3.373 252 HD2 PHE 26 2HD PHE 26 -6.003 -8.974 -6.927 253 HE1 PHE 26 1HE PHE 26 -9.270 -7.977 -3.389 254 HE2 PHE 26 2HE PHE 26 -8.210 -10.061 -6.955 255 HZ PHE 26 HZ PHE 26 -9.850 -9.564 -5.184 256 H GLU 27 H GLU 27 -4.979 -3.913 -4.651 257 HA GLU 27 HA GLU 27 -7.675 -3.496 -4.155 258 1HB GLU 27 2HB GLU 27 -5.162 -1.981 -3.961 259 2HB GLU 27 1HB GLU 27 -6.599 -0.991 -4.069 260 1HG GLU 27 2HG GLU 27 -5.931 -3.057 -2.007 261 2HG GLU 27 1HG GLU 27 -6.128 -1.317 -1.774 262 H GLU 28 H GLU 28 -5.693 -2.645 -6.905 263 HA GLU 28 HA GLU 28 -7.422 -0.737 -8.072 264 1HB GLU 28 2HB GLU 28 -6.189 -1.344 -10.205 265 2HB GLU 28 1HB GLU 28 -5.187 -0.798 -8.867 266 1HG GLU 28 2HG GLU 28 -4.573 -3.082 -8.355 267 2HG GLU 28 1HG GLU 28 -5.638 -3.675 -9.628 268 H GLU 29 H GLU 29 -7.350 -4.214 -8.049 269 HA GLU 29 HA GLU 29 -9.402 -4.427 -10.105 270 1HB GLU 29 2HB GLU 29 -8.130 -6.265 -10.447 271 2HB GLU 29 1HB GLU 29 -7.481 -6.238 -8.814 272 1HG GLU 29 2HG GLU 29 -9.435 -7.356 -7.969 273 2HG GLU 29 1HG GLU 29 -10.209 -7.276 -9.550 274 H ARG 30 H ARG 30 -8.989 -4.782 -6.644 275 HA ARG 30 HA ARG 30 -11.540 -5.874 -6.078 276 1HB ARG 30 2HB ARG 30 -10.211 -6.226 -4.274 277 2HB ARG 30 1HB ARG 30 -9.265 -4.774 -4.561 278 1HG ARG 30 2HG ARG 30 -10.258 -4.115 -2.655 279 2HG ARG 30 1HG ARG 30 -11.549 -3.652 -3.763 280 1HD ARG 30 2HD ARG 30 -12.406 -6.067 -3.374 281 2HD ARG 30 1HD ARG 30 -11.378 -6.017 -1.942 282 HE ARG 30 HE ARG 30 -12.741 -4.290 -1.064 283 1HH1 ARG 30 1HH1 ARG 30 -13.926 -5.605 -4.067 284 2HH1 ARG 30 2HH1 ARG 30 -15.523 -4.970 -3.862 285 1HH2 ARG 30 1HH2 ARG 30 -14.841 -3.447 -0.790 286 2HH2 ARG 30 2HH2 ARG 30 -16.043 -3.742 -2.002 287 H ALA 31 H ALA 31 -10.458 -2.754 -6.904 288 HA ALA 31 HA ALA 31 -12.998 -1.550 -6.030 289 1HB ALA 31 1HB ALA 31 -10.515 -0.045 -6.803 290 2HB ALA 31 2HB ALA 31 -10.817 -0.591 -5.152 291 3HB ALA 31 3HB ALA 31 -11.921 0.550 -5.921 292 H ARG 32 H ARG 32 -11.959 -3.061 -8.552 293 HA ARG 32 HA ARG 32 -12.759 -1.079 -10.568 294 1HB ARG 32 2HB ARG 32 -10.685 -2.963 -10.507 295 2HB ARG 32 1HB ARG 32 -11.863 -3.616 -11.632 296 1HG ARG 32 2HG ARG 32 -10.057 -2.168 -12.621 297 2HG ARG 32 1HG ARG 32 -11.716 -1.736 -13.040 298 1HD ARG 32 2HD ARG 32 -11.377 -0.239 -10.829 299 2HD ARG 32 1HD ARG 32 -9.718 -0.276 -11.432 300 HE ARG 32 HE ARG 32 -12.044 0.800 -12.878 301 1HH1 ARG 32 1HH1 ARG 32 -8.600 0.502 -12.447 302 2HH1 ARG 32 2HH1 ARG 32 -8.219 1.720 -13.619 303 1HH2 ARG 32 1HH2 ARG 32 -11.555 2.396 -14.422 304 2HH2 ARG 32 2HH2 ARG 32 -9.900 2.798 -14.743 305 H ALA 33 H ALA 33 -13.079 -4.592 -10.184 306 HA ALA 33 HA ALA 33 -15.201 -5.053 -11.807 307 1HB ALA 33 1HB ALA 33 -13.866 -6.424 -9.738 308 2HB ALA 33 2HB ALA 33 -14.890 -7.095 -11.010 309 3HB ALA 33 3HB ALA 33 -15.598 -6.624 -9.464 310 H LYS 34 H LYS 34 -15.280 -3.412 -8.743 311 HA LYS 34 HA LYS 34 -17.933 -3.693 -7.993 312 1HB LYS 34 2HB LYS 34 -17.672 -1.281 -7.143 313 2HB LYS 34 1HB LYS 34 -16.585 -2.495 -6.483 314 1HG LYS 34 2HG LYS 34 -14.792 -1.718 -7.881 315 2HG LYS 34 1HG LYS 34 -15.883 -0.636 -8.744 316 1HD LYS 34 2HD LYS 34 -14.478 0.529 -7.074 317 2HD LYS 34 1HD LYS 34 -16.207 0.702 -6.764 318 1HE LYS 34 2HE LYS 34 -16.114 -0.495 -4.841 319 2HE LYS 34 1HE LYS 34 -14.859 -1.575 -5.448 320 1HZ LYS 34 1HZ LYS 34 -13.756 0.980 -5.207 321 2HZ LYS 34 2HZ LYS 34 -13.377 -0.407 -4.316 322 3HZ LYS 34 3HZ LYS 34 -14.577 0.650 -3.765 323 H TRP 35 H TRP 35 -16.515 -1.158 -10.007 324 HA TRP 35 HA TRP 35 -19.150 -0.499 -11.072 325 1HB TRP 35 2HB TRP 35 -17.917 1.443 -12.077 326 2HB TRP 35 1HB TRP 35 -17.914 1.418 -10.320 327 HD1 TRP 35 HD TRP 35 -15.562 -0.299 -12.881 328 HE1 TRP 35 1HE TRP 35 -13.182 0.373 -12.320 329 HE3 TRP 35 3HE TRP 35 -16.492 2.808 -8.938 330 HZ2 TRP 35 2HZ TRP 35 -11.813 2.004 -10.451 331 HZ3 TRP 35 3HZ TRP 35 -14.588 3.876 -7.809 332 HH2 TRP 35 HH TRP 35 -12.295 3.484 -8.550 333 H ASP 36 H ASP 36 -16.677 -2.514 -11.679 334 HA ASP 36 HA ASP 36 -16.954 -2.357 -14.606 335 1HB ASP 36 2HB ASP 36 -14.667 -2.547 -12.956 336 2HB ASP 36 1HB ASP 36 -14.836 -4.115 -13.751 Start of MODEL 12 1 1H MET 1 1HT MET 1 14.835 -5.098 -4.674 2 2H MET 1 2HT MET 1 13.621 -4.152 -3.973 3 3H MET 1 3HT MET 1 14.225 -5.498 -3.146 4 HA MET 1 HA MET 1 16.333 -3.745 -3.826 5 1HB MET 1 2HB MET 1 14.096 -2.581 -2.165 6 2HB MET 1 1HB MET 1 15.670 -1.845 -2.425 7 1HG MET 1 2HG MET 1 13.650 -2.416 -4.580 8 2HG MET 1 1HG MET 1 13.907 -0.852 -3.810 9 1HE MET 1 1HE MET 1 16.628 -0.701 -3.235 10 2HE MET 1 2HE MET 1 16.713 0.568 -4.459 11 3HE MET 1 3HE MET 1 17.839 -0.788 -4.514 12 H TRP 2 H TRP 2 14.998 -3.176 -0.756 13 HA TRP 2 HA TRP 2 16.786 -5.171 0.430 14 1HB TRP 2 2HB TRP 2 16.053 -3.048 2.203 15 2HB TRP 2 1HB TRP 2 17.656 -3.486 1.628 16 HD1 TRP 2 HD TRP 2 18.758 -1.760 0.037 17 HE1 TRP 2 1HE TRP 2 17.965 0.391 -1.143 18 HE3 TRP 2 3HE TRP 2 13.800 -2.075 1.072 19 HZ2 TRP 2 2HZ TRP 2 15.493 1.755 -1.521 20 HZ3 TRP 2 3HZ TRP 2 12.307 -0.313 0.298 21 HH2 TRP 2 HH TRP 2 13.147 1.567 -0.984 22 H LYS 3 H LYS 3 14.534 -3.320 2.387 23 HA LYS 3 HA LYS 3 13.266 -5.770 3.247 24 1HB LYS 3 2HB LYS 3 12.228 -4.531 4.922 25 2HB LYS 3 1HB LYS 3 13.822 -3.823 4.811 26 1HG LYS 3 2HG LYS 3 11.152 -2.715 4.015 27 2HG LYS 3 1HG LYS 3 12.338 -2.050 5.129 28 1HD LYS 3 2HD LYS 3 13.713 -1.308 3.380 29 2HD LYS 3 1HD LYS 3 12.901 -2.344 2.206 30 1HE LYS 3 2HE LYS 3 11.479 -0.118 3.641 31 2HE LYS 3 1HE LYS 3 12.343 0.131 2.123 32 1HZ LYS 3 1HZ LYS 3 10.558 -2.106 2.042 33 2HZ LYS 3 2HZ LYS 3 10.721 -0.814 0.966 34 3HZ LYS 3 3HZ LYS 3 9.761 -0.646 2.347 35 H VAL 4 H VAL 4 12.826 -3.369 1.002 36 HA VAL 4 HA VAL 4 10.226 -2.927 0.683 37 HB VAL 4 HB VAL 4 12.256 -2.178 -0.735 38 1HG1 VAL 4 1HG1 VAL 4 12.167 -3.396 -3.003 39 2HG1 VAL 4 2HG1 VAL 4 11.407 -4.716 -2.107 40 3HG1 VAL 4 3HG1 VAL 4 13.033 -4.178 -1.680 41 1HG2 VAL 4 1HG2 VAL 4 9.957 -2.623 -2.527 42 2HG2 VAL 4 2HG2 VAL 4 10.814 -1.138 -2.116 43 3HG2 VAL 4 3HG2 VAL 4 9.627 -1.808 -0.998 44 H GLY 5 H GLY 5 11.985 -5.793 -0.415 45 1HA GLY 5 2HA GLY 5 10.291 -7.058 -2.019 46 2HA GLY 5 1HA GLY 5 11.158 -7.939 -0.771 47 H PHE 6 H PHE 6 9.847 -6.966 1.487 48 HA PHE 6 HA PHE 6 7.105 -7.830 0.955 49 1HB PHE 6 2HB PHE 6 7.031 -9.026 3.041 50 2HB PHE 6 1HB PHE 6 8.461 -9.557 2.162 51 HD1 PHE 6 1HD PHE 6 7.197 -8.094 5.181 52 HD2 PHE 6 2HD PHE 6 10.703 -8.621 2.826 53 HE1 PHE 6 1HE PHE 6 8.588 -7.554 7.138 54 HE2 PHE 6 2HE PHE 6 12.100 -8.081 4.779 55 HZ PHE 6 HZ PHE 6 11.043 -7.549 6.938 56 H PHE 7 H PHE 7 8.767 -5.207 1.554 57 HA PHE 7 HA PHE 7 7.094 -4.190 3.718 58 1HB PHE 7 2HB PHE 7 9.718 -3.817 3.208 59 2HB PHE 7 1HB PHE 7 9.035 -2.397 2.424 60 HD1 PHE 7 1HD PHE 7 7.902 -4.121 5.519 61 HD2 PHE 7 2HD PHE 7 9.605 -0.630 3.792 62 HE1 PHE 7 1HE PHE 7 7.723 -2.968 7.684 63 HE2 PHE 7 2HE PHE 7 9.442 0.531 5.949 64 HZ PHE 7 HZ PHE 7 8.493 -0.637 7.903 65 H LYS 8 H LYS 8 7.796 -3.538 0.319 66 HA LYS 8 HA LYS 8 6.213 -1.247 0.131 67 1HB LYS 8 2HB LYS 8 6.150 -1.799 -2.347 68 2HB LYS 8 1HB LYS 8 7.719 -1.569 -1.589 69 1HG LYS 8 2HG LYS 8 7.221 -3.541 -3.292 70 2HG LYS 8 1HG LYS 8 8.383 -3.669 -1.982 71 1HD LYS 8 2HD LYS 8 7.237 -5.641 -1.761 72 2HD LYS 8 1HD LYS 8 6.353 -4.602 -0.642 73 1HE LYS 8 2HE LYS 8 5.324 -6.066 -2.798 74 2HE LYS 8 1HE LYS 8 4.480 -4.912 -1.765 75 1HZ LYS 8 1HZ LYS 8 5.907 -4.274 -4.291 76 2HZ LYS 8 2HZ LYS 8 5.148 -3.142 -3.290 77 3HZ LYS 8 3HZ LYS 8 4.228 -4.323 -4.079 78 H ARG 9 H ARG 9 5.290 -4.384 0.718 79 HA ARG 9 HA ARG 9 2.560 -3.913 -0.263 80 1HB ARG 9 2HB ARG 9 2.997 -5.979 -1.150 81 2HB ARG 9 1HB ARG 9 4.230 -6.347 0.045 82 1HG ARG 9 2HG ARG 9 1.859 -6.346 1.485 83 2HG ARG 9 1HG ARG 9 1.450 -7.121 -0.046 84 1HD ARG 9 2HD ARG 9 3.990 -8.071 0.896 85 2HD ARG 9 1HD ARG 9 2.774 -8.250 2.160 86 HE ARG 9 HE ARG 9 2.923 -9.692 -0.324 87 1HH1 ARG 9 1HH1 ARG 9 0.839 -8.640 2.264 88 2HH1 ARG 9 2HH1 ARG 9 -0.321 -9.902 2.015 89 1HH2 ARG 9 1HH2 ARG 9 1.404 -11.354 -0.661 90 2HH2 ARG 9 2HH2 ARG 9 0.001 -11.446 0.351 91 H ASN 10 H ASN 10 4.629 -4.251 2.404 92 HA ASN 10 HA ASN 10 2.546 -4.719 4.371 93 1HB ASN 10 2HB ASN 10 4.606 -5.845 4.778 94 2HB ASN 10 1HB ASN 10 5.540 -4.372 4.507 95 1HD2 ASN 10 1HD2 ASN 10 2.649 -5.012 6.458 96 2HD2 ASN 10 2HD2 ASN 10 3.331 -4.491 7.958 97 H ARG 11 H ARG 11 5.230 -2.416 4.443 98 HA ARG 11 HA ARG 11 5.377 -0.246 5.075 99 1HB ARG 11 2HB ARG 11 3.978 0.052 3.042 100 2HB ARG 11 1HB ARG 11 2.553 -0.028 4.064 101 1HG ARG 11 2HG ARG 11 2.731 2.204 4.073 102 2HG ARG 11 1HG ARG 11 3.941 1.908 5.324 103 1HD ARG 11 2HD ARG 11 4.597 2.084 2.391 104 2HD ARG 11 1HD ARG 11 4.641 3.471 3.478 105 HE ARG 11 HE ARG 11 6.543 1.303 3.340 106 1HH1 ARG 11 1HH1 ARG 11 5.251 3.898 5.275 107 2HH1 ARG 11 2HH1 ARG 11 6.680 4.060 6.241 108 1HH2 ARG 11 1HH2 ARG 11 8.429 1.517 4.603 109 2HH2 ARG 11 2HH2 ARG 11 8.484 2.708 5.860 110 1H LYS 12 1HT LYS 12 16.784 3.619 -0.886 111 2H LYS 12 2HT LYS 12 16.968 4.804 0.306 112 3H LYS 12 3HT LYS 12 15.778 4.979 -0.884 113 HA LYS 12 HA LYS 12 14.849 2.805 -0.013 114 1HB LYS 12 2HB LYS 12 16.872 2.339 1.349 115 2HB LYS 12 1HB LYS 12 16.426 3.681 2.398 116 1HG LYS 12 2HG LYS 12 14.121 2.276 2.405 117 2HG LYS 12 1HG LYS 12 15.303 0.971 2.217 118 1HD LYS 12 2HD LYS 12 16.519 2.335 4.127 119 2HD LYS 12 1HD LYS 12 14.870 2.845 4.476 120 1HE LYS 12 2HE LYS 12 14.838 0.049 4.029 121 2HE LYS 12 1HE LYS 12 16.163 0.394 5.138 122 1HZ LYS 12 1HZ LYS 12 13.485 1.555 5.573 123 2HZ LYS 12 2HZ LYS 12 14.727 1.305 6.693 124 3HZ LYS 12 3HZ LYS 12 13.844 -0.011 6.103 125 H LEU 13 H LEU 13 14.546 5.799 -0.341 126 HA LEU 13 HA LEU 13 12.513 6.071 1.753 127 1HB LEU 13 2HB LEU 13 13.873 8.311 0.256 128 2HB LEU 13 1HB LEU 13 12.729 8.479 1.575 129 HG LEU 13 HG LEU 13 14.704 8.811 2.698 130 1HD1 LEU 13 1HD1 LEU 13 14.479 5.785 2.767 131 2HD1 LEU 13 2HD1 LEU 13 13.560 6.927 3.762 132 3HD1 LEU 13 3HD1 LEU 13 15.308 6.810 3.952 133 1HD2 LEU 13 1HD2 LEU 13 16.086 8.407 0.668 134 2HD2 LEU 13 2HD2 LEU 13 16.069 6.686 1.056 135 3HD2 LEU 13 3HD2 LEU 13 16.821 7.833 2.165 136 H LEU 14 H LEU 14 12.765 5.023 -1.159 137 HA LEU 14 HA LEU 14 10.750 6.510 -2.574 138 1HB LEU 14 2HB LEU 14 10.853 4.632 -4.182 139 2HB LEU 14 1HB LEU 14 12.430 5.321 -3.850 140 HG LEU 14 HG LEU 14 11.990 3.140 -2.042 141 1HD1 LEU 14 1HD1 LEU 14 10.687 2.749 -4.521 142 2HD1 LEU 14 2HD1 LEU 14 10.967 1.577 -3.233 143 3HD1 LEU 14 3HD1 LEU 14 12.149 1.763 -4.529 144 1HD2 LEU 14 1HD2 LEU 14 13.856 3.488 -4.386 145 2HD2 LEU 14 2HD2 LEU 14 14.026 2.299 -3.095 146 3HD2 LEU 14 3HD2 LEU 14 14.159 4.019 -2.732 147 H ILE 15 H ILE 15 10.868 4.372 -0.063 148 HA ILE 15 HA ILE 15 8.370 2.999 -0.518 149 HB ILE 15 HB ILE 15 10.184 3.068 1.908 150 1HG1 ILE 15 2HG1 ILE 15 11.264 2.186 -0.104 151 2HG1 ILE 15 1HG1 ILE 15 11.009 0.927 1.101 152 1HG2 ILE 15 1HG2 ILE 15 8.463 0.729 1.483 153 2HG2 ILE 15 2HG2 ILE 15 7.584 2.213 1.861 154 3HG2 ILE 15 3HG2 ILE 15 8.822 1.618 2.967 155 1HD1 ILE 15 1HD1 ILE 15 9.384 -0.117 -0.138 156 2HD1 ILE 15 2HD1 ILE 15 10.489 0.462 -1.389 157 3HD1 ILE 15 3HD1 ILE 15 8.998 1.342 -1.053 158 H THR 16 H THR 16 8.495 5.951 -0.368 159 HA THR 16 HA THR 16 6.646 6.367 1.886 160 HB THR 16 HB THR 16 8.222 8.569 0.569 161 HG1 THR 16 1HG THR 16 9.081 7.501 2.991 162 1HG2 THR 16 1HG2 THR 16 7.384 9.914 2.119 163 2HG2 THR 16 2HG2 THR 16 7.717 8.760 3.411 164 3HG2 THR 16 3HG2 THR 16 6.230 8.629 2.471 165 H ILE 17 H ILE 17 7.350 6.987 -1.497 166 HA ILE 17 HA ILE 17 4.592 7.952 -1.840 167 HB ILE 17 HB ILE 17 6.809 9.338 -2.519 168 1HG1 ILE 17 2HG1 ILE 17 4.481 10.153 -2.496 169 2HG1 ILE 17 1HG1 ILE 17 5.361 10.713 -3.914 170 1HG2 ILE 17 1HG2 ILE 17 6.131 7.631 -4.888 171 2HG2 ILE 17 2HG2 ILE 17 7.711 7.984 -4.185 172 3HG2 ILE 17 3HG2 ILE 17 6.846 9.233 -5.081 173 1HD1 ILE 17 1HD1 ILE 17 4.250 8.517 -4.946 174 2HD1 ILE 17 2HD1 ILE 17 3.451 10.089 -4.936 175 3HD1 ILE 17 3HD1 ILE 17 3.052 8.890 -3.706 176 H HIS 18 H HIS 18 7.118 5.854 -3.160 177 HA HIS 18 HA HIS 18 5.504 4.832 -5.277 178 1HB HIS 18 2HB HIS 18 7.520 4.128 -5.923 179 2HB HIS 18 1HB HIS 18 8.206 4.510 -4.352 180 HD1 HIS 18 1HD HIS 18 7.857 2.471 -2.519 181 HD2 HIS 18 2HD HIS 18 7.576 1.512 -6.551 182 HE1 HIS 18 1HE HIS 18 8.200 -0.017 -2.644 183 HE2 HIS 18 2HE HIS 18 8.114 -0.559 -5.103 184 H ASP 19 H ASP 19 5.790 4.214 -1.925 185 HA ASP 19 HA ASP 19 4.643 1.583 -1.983 186 1HB ASP 19 2HB ASP 19 5.892 3.253 -0.049 187 2HB ASP 19 1HB ASP 19 4.305 2.808 0.572 188 H ARG 20 H ARG 20 3.499 4.736 -2.283 189 HA ARG 20 HA ARG 20 0.900 4.371 -1.137 190 1HB ARG 20 2HB ARG 20 2.404 6.522 -2.217 191 2HB ARG 20 1HB ARG 20 0.905 6.422 -3.131 192 1HG ARG 20 2HG ARG 20 0.479 7.904 -1.364 193 2HG ARG 20 1HG ARG 20 -0.295 6.385 -0.907 194 1HD ARG 20 2HD ARG 20 2.503 6.936 -0.025 195 2HD ARG 20 1HD ARG 20 1.161 7.706 0.820 196 HE ARG 20 HE ARG 20 1.920 4.938 0.931 197 1HH1 ARG 20 1HH1 ARG 20 -0.702 7.202 1.327 198 2HH1 ARG 20 2HH1 ARG 20 -1.602 6.169 2.387 199 1HH2 ARG 20 1HH2 ARG 20 0.741 3.575 2.324 200 2HH2 ARG 20 2HH2 ARG 20 -0.782 4.109 2.954 201 H LYS 21 H LYS 21 2.398 3.188 -3.839 202 HA LYS 21 HA LYS 21 -0.165 2.762 -5.223 203 1HB LYS 21 2HB LYS 21 2.070 2.297 -6.961 204 2HB LYS 21 1HB LYS 21 0.752 3.447 -7.147 205 1HG LYS 21 2HG LYS 21 1.959 5.178 -6.335 206 2HG LYS 21 1HG LYS 21 2.924 4.159 -5.263 207 1HD LYS 21 2HD LYS 21 4.464 4.798 -6.882 208 2HD LYS 21 1HD LYS 21 3.931 3.216 -7.451 209 1HE LYS 21 2HE LYS 21 3.931 4.618 -9.350 210 2HE LYS 21 1HE LYS 21 2.241 4.441 -8.879 211 1HZ LYS 21 1HZ LYS 21 3.827 6.798 -9.045 212 2HZ LYS 21 2HZ LYS 21 3.140 6.641 -7.507 213 3HZ LYS 21 3HZ LYS 21 2.150 6.643 -8.879 214 H GLU 22 H GLU 22 2.807 1.424 -4.040 215 HA GLU 22 HA GLU 22 2.498 -1.176 -5.124 216 1HB GLU 22 2HB GLU 22 4.115 0.071 -2.925 217 2HB GLU 22 1HB GLU 22 4.080 -1.672 -3.108 218 1HG GLU 22 2HG GLU 22 4.780 0.147 -5.377 219 2HG GLU 22 1HG GLU 22 5.984 -0.386 -4.199 220 H PHE 23 H PHE 23 0.793 0.596 -2.942 221 HA PHE 23 HA PHE 23 -0.025 -1.575 -1.196 222 1HB PHE 23 2HB PHE 23 -0.526 0.075 0.244 223 2HB PHE 23 1HB PHE 23 0.222 1.179 -0.893 224 HD1 PHE 23 1HD PHE 23 -1.339 2.148 -2.736 225 HD2 PHE 23 2HD PHE 23 -2.716 0.380 0.883 226 HE1 PHE 23 1HE PHE 23 -3.475 3.346 -2.968 227 HE2 PHE 23 2HE PHE 23 -4.856 1.571 0.655 228 HZ PHE 23 HZ PHE 23 -5.239 3.056 -1.272 229 H ALA 24 H ALA 24 -0.909 -0.163 -4.138 230 HA ALA 24 HA ALA 24 -3.718 -0.730 -4.044 231 1HB ALA 24 1HB ALA 24 -2.964 1.090 -5.422 232 2HB ALA 24 2HB ALA 24 -3.652 -0.159 -6.461 233 3HB ALA 24 3HB ALA 24 -1.902 0.016 -6.331 234 H LYS 25 H LYS 25 -2.591 -2.981 -3.270 235 HA LYS 25 HA LYS 25 -1.966 -4.868 -5.302 236 1HB LYS 25 2HB LYS 25 -2.781 -6.435 -3.288 237 2HB LYS 25 1HB LYS 25 -1.218 -5.628 -3.264 238 1HG LYS 25 2HG LYS 25 -1.785 -4.653 -1.355 239 2HG LYS 25 1HG LYS 25 -3.079 -3.791 -2.203 240 1HD LYS 25 2HD LYS 25 -4.081 -4.938 -0.377 241 2HD LYS 25 1HD LYS 25 -4.519 -5.819 -1.842 242 1HE LYS 25 2HE LYS 25 -2.224 -7.084 -1.134 243 2HE LYS 25 1HE LYS 25 -2.867 -6.644 0.447 244 1HZ LYS 25 1HZ LYS 25 -3.872 -8.649 0.102 245 2HZ LYS 25 2HZ LYS 25 -3.984 -8.452 -1.573 246 3HZ LYS 25 3HZ LYS 25 -5.049 -7.624 -0.554 247 H PHE 26 H PHE 26 -4.729 -4.637 -3.153 248 HA PHE 26 HA PHE 26 -6.491 -5.780 -5.206 249 1HB PHE 26 2HB PHE 26 -6.676 -7.152 -3.319 250 2HB PHE 26 1HB PHE 26 -6.438 -5.803 -2.214 251 HD1 PHE 26 1HD PHE 26 -8.242 -4.886 -1.125 252 HD2 PHE 26 2HD PHE 26 -8.890 -7.145 -4.672 253 HE1 PHE 26 1HE PHE 26 -10.675 -4.733 -0.773 254 HE2 PHE 26 2HE PHE 26 -11.322 -6.995 -4.331 255 HZ PHE 26 HZ PHE 26 -12.217 -5.787 -2.378 256 H GLU 27 H GLU 27 -5.548 -3.099 -3.452 257 HA GLU 27 HA GLU 27 -7.882 -1.562 -3.266 258 1HB GLU 27 2HB GLU 27 -4.953 -1.100 -3.181 259 2HB GLU 27 1HB GLU 27 -5.961 0.301 -3.459 260 1HG GLU 27 2HG GLU 27 -5.768 -1.453 -1.074 261 2HG GLU 27 1HG GLU 27 -5.729 0.308 -1.176 262 H GLU 28 H GLU 28 -5.700 -2.252 -5.881 263 HA GLU 28 HA GLU 28 -6.513 -0.120 -7.597 264 1HB GLU 28 2HB GLU 28 -5.267 -1.245 -9.313 265 2HB GLU 28 1HB GLU 28 -4.356 -1.384 -7.815 266 1HG GLU 28 2HG GLU 28 -5.003 -3.654 -7.536 267 2HG GLU 28 1HG GLU 28 -6.173 -3.542 -8.851 268 H GLU 29 H GLU 29 -8.141 -2.679 -6.408 269 HA GLU 29 HA GLU 29 -9.919 -2.863 -8.747 270 1HB GLU 29 2HB GLU 29 -9.687 -4.998 -6.637 271 2HB GLU 29 1HB GLU 29 -10.370 -5.126 -8.254 272 1HG GLU 29 2HG GLU 29 -7.492 -4.450 -7.990 273 2HG GLU 29 1HG GLU 29 -7.999 -6.106 -7.659 274 H ARG 30 H ARG 30 -9.607 -1.459 -5.877 275 HA ARG 30 HA ARG 30 -12.450 -1.751 -5.157 276 1HB ARG 30 2HB ARG 30 -10.175 -2.143 -3.578 277 2HB ARG 30 1HB ARG 30 -10.794 -0.571 -3.088 278 1HG ARG 30 2HG ARG 30 -12.642 -2.905 -3.295 279 2HG ARG 30 1HG ARG 30 -11.604 -2.711 -1.881 280 1HD ARG 30 2HD ARG 30 -13.251 -0.409 -2.831 281 2HD ARG 30 1HD ARG 30 -14.016 -1.697 -1.904 282 HE ARG 30 HE ARG 30 -11.872 -1.066 -0.396 283 1HH1 ARG 30 1HH1 ARG 30 -14.425 0.836 -1.816 284 2HH1 ARG 30 2HH1 ARG 30 -14.369 2.058 -0.589 285 1HH2 ARG 30 1HH2 ARG 30 -11.793 0.535 1.220 286 2HH2 ARG 30 2HH2 ARG 30 -12.872 1.888 1.136 287 H ALA 31 H ALA 31 -9.929 0.391 -6.096 288 HA ALA 31 HA ALA 31 -11.724 2.695 -5.708 289 1HB ALA 31 1HB ALA 31 -8.711 2.628 -5.583 290 2HB ALA 31 2HB ALA 31 -9.822 2.917 -4.244 291 3HB ALA 31 3HB ALA 31 -9.689 4.096 -5.548 292 H ARG 32 H ARG 32 -10.627 0.676 -7.969 293 HA ARG 32 HA ARG 32 -10.167 2.714 -10.030 294 1HB ARG 32 2HB ARG 32 -8.941 0.307 -9.600 295 2HB ARG 32 1HB ARG 32 -10.157 -0.131 -10.789 296 1HG ARG 32 2HG ARG 32 -7.939 0.467 -11.740 297 2HG ARG 32 1HG ARG 32 -9.290 1.406 -12.375 298 1HD ARG 32 2HD ARG 32 -8.699 3.181 -10.678 299 2HD ARG 32 1HD ARG 32 -7.223 2.267 -10.360 300 HE ARG 32 HE ARG 32 -6.362 3.319 -12.179 301 1HH1 ARG 32 1HH1 ARG 32 -9.780 2.875 -12.751 302 2HH1 ARG 32 2HH1 ARG 32 -9.732 3.590 -14.327 303 1HH2 ARG 32 1HH2 ARG 32 -6.313 4.258 -14.251 304 2HH2 ARG 32 2HH2 ARG 32 -7.770 4.374 -15.176 305 H ALA 33 H ALA 33 -12.079 -0.264 -9.636 306 HA ALA 33 HA ALA 33 -13.743 0.071 -11.803 307 1HB ALA 33 1HB ALA 33 -13.603 -1.655 -9.586 308 2HB ALA 33 2HB ALA 33 -14.538 -1.859 -11.068 309 3HB ALA 33 3HB ALA 33 -15.262 -1.063 -9.671 310 H LYS 34 H LYS 34 -13.683 2.001 -8.960 311 HA LYS 34 HA LYS 34 -16.424 2.720 -8.944 312 1HB LYS 34 2HB LYS 34 -15.022 4.955 -7.988 313 2HB LYS 34 1HB LYS 34 -15.824 3.713 -7.046 314 1HG LYS 34 2HG LYS 34 -13.875 2.684 -6.488 315 2HG LYS 34 1HG LYS 34 -13.039 3.175 -7.964 316 1HD LYS 34 2HD LYS 34 -12.072 4.413 -6.184 317 2HD LYS 34 1HD LYS 34 -13.098 5.532 -7.082 318 1HE LYS 34 2HE LYS 34 -14.904 4.830 -5.336 319 2HE LYS 34 1HE LYS 34 -13.511 4.331 -4.378 320 1HZ LYS 34 1HZ LYS 34 -14.546 6.837 -4.476 321 2HZ LYS 34 2HZ LYS 34 -13.215 6.948 -5.514 322 3HZ LYS 34 3HZ LYS 34 -12.999 6.435 -3.918 323 H TRP 35 H TRP 35 -13.571 4.335 -10.292 324 HA TRP 35 HA TRP 35 -15.313 6.108 -11.827 325 1HB TRP 35 2HB TRP 35 -13.125 7.213 -12.437 326 2HB TRP 35 1HB TRP 35 -13.537 7.270 -10.726 327 HD1 TRP 35 HD TRP 35 -11.795 4.457 -12.731 328 HE1 TRP 35 1HE TRP 35 -9.564 3.984 -11.627 329 HE3 TRP 35 3HE TRP 35 -11.906 8.011 -9.066 330 HZ2 TRP 35 2HZ TRP 35 -8.004 4.943 -9.477 331 HZ3 TRP 35 3HZ TRP 35 -10.002 8.159 -7.517 332 HH2 TRP 35 HH TRP 35 -8.093 6.653 -7.717 333 H ASP 36 H ASP 36 -13.797 3.186 -12.115 334 HA ASP 36 HA ASP 36 -13.328 3.419 -14.993 335 1HB ASP 36 2HB ASP 36 -11.867 2.200 -12.977 336 2HB ASP 36 1HB ASP 36 -12.700 0.848 -13.750 Start of MODEL 13 1 1H MET 1 1HT MET 1 15.506 -5.901 -3.318 2 2H MET 1 2HT MET 1 14.631 -4.725 -4.165 3 3H MET 1 3HT MET 1 14.182 -5.140 -2.588 4 HA MET 1 HA MET 1 16.683 -3.785 -3.398 5 1HB MET 1 2HB MET 1 14.265 -2.824 -1.872 6 2HB MET 1 1HB MET 1 15.731 -1.890 -2.136 7 1HG MET 1 2HG MET 1 13.883 -2.898 -4.286 8 2HG MET 1 1HG MET 1 13.951 -1.248 -3.672 9 1HE MET 1 1HE MET 1 16.530 -0.668 -3.070 10 2HE MET 1 2HE MET 1 16.776 0.351 -4.490 11 3HE MET 1 3HE MET 1 17.880 -0.984 -4.161 12 H TRP 2 H TRP 2 15.218 -3.187 -0.376 13 HA TRP 2 HA TRP 2 17.304 -4.746 0.984 14 1HB TRP 2 2HB TRP 2 16.244 -2.579 2.534 15 2HB TRP 2 1HB TRP 2 17.904 -2.838 2.011 16 HD1 TRP 2 HD TRP 2 18.771 -1.285 0.106 17 HE1 TRP 2 1HE TRP 2 17.730 0.646 -1.243 18 HE3 TRP 2 3HE TRP 2 13.870 -1.852 1.474 19 HZ2 TRP 2 2HZ TRP 2 15.157 1.758 -1.623 20 HZ3 TRP 2 3HZ TRP 2 12.217 -0.288 0.553 21 HH2 TRP 2 HH TRP 2 12.868 1.470 -0.959 22 H LYS 3 H LYS 3 14.686 -2.964 2.470 23 HA LYS 3 HA LYS 3 13.704 -5.399 3.749 24 1HB LYS 3 2HB LYS 3 12.672 -4.011 5.311 25 2HB LYS 3 1HB LYS 3 14.155 -3.137 4.961 26 1HG LYS 3 2HG LYS 3 11.824 -2.444 3.302 27 2HG LYS 3 1HG LYS 3 11.678 -2.057 5.013 28 1HD LYS 3 2HD LYS 3 13.613 -0.667 4.943 29 2HD LYS 3 1HD LYS 3 14.019 -1.215 3.315 30 1HE LYS 3 2HE LYS 3 12.281 -0.013 2.330 31 2HE LYS 3 1HE LYS 3 11.382 0.086 3.846 32 1HZ LYS 3 1HZ LYS 3 13.830 1.381 4.205 33 2HZ LYS 3 2HZ LYS 3 12.279 2.052 4.217 34 3HZ LYS 3 3HZ LYS 3 13.148 1.958 2.770 35 H VAL 4 H VAL 4 13.048 -3.145 1.342 36 HA VAL 4 HA VAL 4 10.448 -2.900 1.034 37 HB VAL 4 HB VAL 4 12.422 -2.196 -0.510 38 1HG1 VAL 4 1HG1 VAL 4 11.480 -4.771 -1.761 39 2HG1 VAL 4 2HG1 VAL 4 13.131 -4.274 -1.382 40 3HG1 VAL 4 3HG1 VAL 4 12.258 -3.493 -2.701 41 1HG2 VAL 4 1HG2 VAL 4 10.833 -1.124 -1.623 42 2HG2 VAL 4 2HG2 VAL 4 9.664 -2.066 -0.697 43 3HG2 VAL 4 3HG2 VAL 4 10.182 -2.620 -2.290 44 H GLY 5 H GLY 5 12.239 -5.766 -0.138 45 1HA GLY 5 2HA GLY 5 10.387 -7.137 -1.459 46 2HA GLY 5 1HA GLY 5 11.431 -7.954 -0.300 47 H PHE 6 H PHE 6 10.302 -6.755 2.032 48 HA PHE 6 HA PHE 6 7.599 -7.851 1.881 49 1HB PHE 6 2HB PHE 6 7.979 -8.399 4.383 50 2HB PHE 6 1HB PHE 6 8.690 -9.462 3.173 51 HD1 PHE 6 1HD PHE 6 11.098 -9.433 2.759 52 HD2 PHE 6 2HD PHE 6 9.336 -7.037 5.803 53 HE1 PHE 6 1HE PHE 6 13.316 -9.088 3.765 54 HE2 PHE 6 2HE PHE 6 11.552 -6.687 6.815 55 HZ PHE 6 HZ PHE 6 13.546 -7.713 5.795 56 H PHE 7 H PHE 7 9.130 -5.081 2.045 57 HA PHE 7 HA PHE 7 7.593 -3.949 4.218 58 1HB PHE 7 2HB PHE 7 10.105 -3.493 3.537 59 2HB PHE 7 1HB PHE 7 9.323 -2.220 2.609 60 HD1 PHE 7 1HD PHE 7 8.666 -3.657 5.980 61 HD2 PHE 7 2HD PHE 7 9.563 -0.228 3.639 62 HE1 PHE 7 1HE PHE 7 8.464 -2.249 7.982 63 HE2 PHE 7 2HE PHE 7 9.389 1.194 5.633 64 HZ PHE 7 HZ PHE 7 8.812 0.170 7.804 65 H LYS 8 H LYS 8 7.937 -3.624 0.794 66 HA LYS 8 HA LYS 8 6.299 -1.378 0.462 67 1HB LYS 8 2HB LYS 8 6.062 -2.568 -1.907 68 2HB LYS 8 1HB LYS 8 7.551 -1.794 -1.342 69 1HG LYS 8 2HG LYS 8 8.528 -3.695 -1.852 70 2HG LYS 8 1HG LYS 8 7.883 -4.233 -0.333 71 1HD LYS 8 2HD LYS 8 7.292 -5.131 -3.027 72 2HD LYS 8 1HD LYS 8 7.102 -5.940 -1.465 73 1HE LYS 8 2HE LYS 8 4.985 -4.874 -1.115 74 2HE LYS 8 1HE LYS 8 5.197 -3.854 -2.537 75 1HZ LYS 8 1HZ LYS 8 4.158 -6.492 -2.354 76 2HZ LYS 8 2HZ LYS 8 5.456 -6.438 -3.437 77 3HZ LYS 8 3HZ LYS 8 4.126 -5.418 -3.662 78 H ARG 9 H ARG 9 5.643 -4.725 0.945 79 HA ARG 9 HA ARG 9 2.814 -4.324 0.404 80 1HB ARG 9 2HB ARG 9 2.663 -6.562 -0.008 81 2HB ARG 9 1HB ARG 9 4.401 -6.439 -0.207 82 1HG ARG 9 2HG ARG 9 3.748 -6.852 2.560 83 2HG ARG 9 1HG ARG 9 2.991 -8.086 1.552 84 1HD ARG 9 2HD ARG 9 5.607 -7.738 0.576 85 2HD ARG 9 1HD ARG 9 5.732 -7.809 2.333 86 HE ARG 9 HE ARG 9 4.832 -9.989 2.284 87 1HH1 ARG 9 1HH1 ARG 9 5.281 -8.630 -0.894 88 2HH1 ARG 9 2HH1 ARG 9 5.184 -10.160 -1.701 89 1HH2 ARG 9 1HH2 ARG 9 4.708 -12.006 1.227 90 2HH2 ARG 9 2HH2 ARG 9 4.858 -12.077 -0.497 91 H ASN 10 H ASN 10 4.785 -3.565 2.613 92 HA ASN 10 HA ASN 10 3.199 -4.366 4.953 93 1HB ASN 10 2HB ASN 10 6.043 -4.217 4.348 94 2HB ASN 10 1HB ASN 10 5.636 -3.345 5.808 95 1HD2 ASN 10 1HD2 ASN 10 7.015 -5.031 6.769 96 2HD2 ASN 10 2HD2 ASN 10 6.278 -6.521 7.238 97 H ARG 11 H ARG 11 5.651 -1.905 4.872 98 HA ARG 11 HA ARG 11 5.666 0.308 5.292 99 1HB ARG 11 2HB ARG 11 4.292 0.374 3.220 100 2HB ARG 11 1HB ARG 11 2.854 0.302 4.226 101 1HG ARG 11 2HG ARG 11 2.943 2.540 4.025 102 2HG ARG 11 1HG ARG 11 4.090 2.393 5.359 103 1HD ARG 11 2HD ARG 11 4.900 2.368 2.462 104 2HD ARG 11 1HD ARG 11 4.838 3.833 3.438 105 HE ARG 11 HE ARG 11 6.703 1.585 3.804 106 1HH1 ARG 11 1HH1 ARG 11 5.656 4.823 4.584 107 2HH1 ARG 11 2HH1 ARG 11 7.136 5.250 5.375 108 1HH2 ARG 11 1HH2 ARG 11 8.659 2.154 4.833 109 2HH2 ARG 11 2HH2 ARG 11 8.841 3.733 5.518 110 1H LYS 12 1HT LYS 12 17.090 4.309 -0.829 111 2H LYS 12 2HT LYS 12 16.006 5.606 -0.858 112 3H LYS 12 3HT LYS 12 15.809 4.317 -1.935 113 HA LYS 12 HA LYS 12 14.803 3.024 -0.467 114 1HB LYS 12 2HB LYS 12 16.962 2.888 0.791 115 2HB LYS 12 1HB LYS 12 16.404 4.239 1.770 116 1HG LYS 12 2HG LYS 12 14.287 2.664 2.086 117 2HG LYS 12 1HG LYS 12 15.498 1.415 1.739 118 1HD LYS 12 2HD LYS 12 16.759 3.110 3.512 119 2HD LYS 12 1HD LYS 12 15.111 3.014 4.126 120 1HE LYS 12 2HE LYS 12 15.254 0.570 4.089 121 2HE LYS 12 1HE LYS 12 16.911 0.676 3.494 122 1HZ LYS 12 1HZ LYS 12 16.222 0.511 6.088 123 2HZ LYS 12 2HZ LYS 12 16.417 2.182 5.904 124 3HZ LYS 12 3HZ LYS 12 17.690 1.135 5.524 125 H LEU 13 H LEU 13 14.178 5.880 -1.094 126 HA LEU 13 HA LEU 13 12.300 6.242 1.128 127 1HB LEU 13 2HB LEU 13 13.396 8.385 -0.697 128 2HB LEU 13 1HB LEU 13 12.280 8.634 0.633 129 HG LEU 13 HG LEU 13 14.245 9.246 1.642 130 1HD1 LEU 13 1HD1 LEU 13 14.289 6.241 2.063 131 2HD1 LEU 13 2HD1 LEU 13 13.298 7.407 2.954 132 3HD1 LEU 13 3HD1 LEU 13 15.053 7.462 3.092 133 1HD2 LEU 13 1HD2 LEU 13 15.415 7.902 -0.544 134 2HD2 LEU 13 2HD2 LEU 13 16.166 7.269 0.921 135 3HD2 LEU 13 3HD2 LEU 13 16.183 9.003 0.601 136 H LEU 14 H LEU 14 12.453 4.913 -1.685 137 HA LEU 14 HA LEU 14 10.273 6.051 -3.142 138 1HB LEU 14 2HB LEU 14 10.320 3.770 -4.292 139 2HB LEU 14 1HB LEU 14 11.764 4.755 -4.429 140 HG LEU 14 HG LEU 14 11.770 2.851 -2.166 141 1HD1 LEU 14 1HD1 LEU 14 12.018 0.889 -3.396 142 2HD1 LEU 14 2HD1 LEU 14 12.201 1.754 -4.923 143 3HD1 LEU 14 3HD1 LEU 14 10.623 1.674 -4.138 144 1HD2 LEU 14 1HD2 LEU 14 14.056 2.640 -2.742 145 2HD2 LEU 14 2HD2 LEU 14 13.656 4.348 -2.933 146 3HD2 LEU 14 3HD2 LEU 14 13.790 3.310 -4.351 147 H ILE 15 H ILE 15 10.670 4.210 -0.390 148 HA ILE 15 HA ILE 15 8.218 2.732 -0.422 149 HB ILE 15 HB ILE 15 10.013 3.363 1.928 150 1HG1 ILE 15 2HG1 ILE 15 11.351 2.430 0.145 151 2HG1 ILE 15 1HG1 ILE 15 11.136 1.234 1.420 152 1HG2 ILE 15 1HG2 ILE 15 8.470 0.831 1.580 153 2HG2 ILE 15 2HG2 ILE 15 7.636 2.277 2.156 154 3HG2 ILE 15 3HG2 ILE 15 9.002 1.627 3.063 155 1HD1 ILE 15 1HD1 ILE 15 9.567 0.022 0.135 156 2HD1 ILE 15 2HD1 ILE 15 10.939 0.374 -0.916 157 3HD1 ILE 15 3HD1 ILE 15 9.453 1.313 -1.063 158 H THR 16 H THR 16 8.548 5.868 -0.465 159 HA THR 16 HA THR 16 6.783 6.533 1.768 160 HB THR 16 HB THR 16 8.236 8.292 -0.218 161 HG1 THR 16 1HG THR 16 9.204 8.848 2.002 162 1HG2 THR 16 1HG2 THR 16 6.728 9.122 2.249 163 2HG2 THR 16 2HG2 THR 16 6.201 9.389 0.587 164 3HG2 THR 16 3HG2 THR 16 7.665 10.169 1.184 165 H ILE 17 H ILE 17 6.900 6.646 -1.774 166 HA ILE 17 HA ILE 17 3.995 7.135 -1.749 167 HB ILE 17 HB ILE 17 5.784 8.855 -2.802 168 1HG1 ILE 17 2HG1 ILE 17 3.333 9.160 -2.478 169 2HG1 ILE 17 1HG1 ILE 17 3.934 9.867 -3.973 170 1HG2 ILE 17 1HG2 ILE 17 5.107 6.921 -4.994 171 2HG2 ILE 17 2HG2 ILE 17 6.691 7.530 -4.510 172 3HG2 ILE 17 3HG2 ILE 17 5.547 8.600 -5.321 173 1HD1 ILE 17 1HD1 ILE 17 3.168 7.719 -5.100 174 2HD1 ILE 17 2HD1 ILE 17 1.921 8.836 -4.547 175 3HD1 ILE 17 3HD1 ILE 17 2.289 7.391 -3.607 176 H HIS 18 H HIS 18 6.648 5.396 -3.320 177 HA HIS 18 HA HIS 18 5.048 4.060 -5.227 178 1HB HIS 18 2HB HIS 18 7.055 3.420 -5.960 179 2HB HIS 18 1HB HIS 18 7.794 4.125 -4.530 180 HD1 HIS 18 1HD HIS 18 7.592 2.301 -2.353 181 HD2 HIS 18 2HD HIS 18 7.715 0.833 -6.238 182 HE1 HIS 18 1HE HIS 18 8.327 -0.095 -2.144 183 HE2 HIS 18 2HE HIS 18 8.502 -0.927 -4.515 184 H ASP 19 H ASP 19 5.627 3.560 -1.872 185 HA ASP 19 HA ASP 19 4.814 0.836 -1.727 186 1HB ASP 19 2HB ASP 19 6.119 2.288 -0.004 187 2HB ASP 19 1HB ASP 19 4.521 2.790 0.536 188 H ARG 20 H ARG 20 3.177 3.825 -2.038 189 HA ARG 20 HA ARG 20 0.664 2.931 -0.967 190 1HB ARG 20 2HB ARG 20 1.798 5.406 -1.953 191 2HB ARG 20 1HB ARG 20 0.164 5.158 -2.552 192 1HG ARG 20 2HG ARG 20 -0.068 6.378 -0.561 193 2HG ARG 20 1HG ARG 20 -0.502 4.718 -0.149 194 1HD ARG 20 2HD ARG 20 2.340 5.454 0.178 195 2HD ARG 20 1HD ARG 20 1.205 6.211 1.295 196 HE ARG 20 HE ARG 20 1.953 3.422 1.187 197 1HH1 ARG 20 1HH1 ARG 20 -0.362 5.767 2.324 198 2HH1 ARG 20 2HH1 ARG 20 -0.960 4.751 3.593 199 1HH2 ARG 20 1HH2 ARG 20 1.172 2.079 2.854 200 2HH2 ARG 20 2HH2 ARG 20 -0.087 2.654 3.895 201 H LYS 21 H LYS 21 2.320 2.318 -3.768 202 HA LYS 21 HA LYS 21 -0.159 1.816 -5.274 203 1HB LYS 21 2HB LYS 21 2.155 1.659 -6.952 204 2HB LYS 21 1HB LYS 21 0.788 2.762 -7.064 205 1HG LYS 21 2HG LYS 21 1.868 4.434 -5.930 206 2HG LYS 21 1HG LYS 21 2.941 3.317 -5.080 207 1HD LYS 21 2HD LYS 21 4.509 3.552 -6.642 208 2HD LYS 21 1HD LYS 21 3.365 3.122 -7.915 209 1HE LYS 21 2HE LYS 21 3.069 5.259 -8.527 210 2HE LYS 21 1HE LYS 21 2.994 5.820 -6.857 211 1HZ LYS 21 1HZ LYS 21 5.405 5.735 -6.756 212 2HZ LYS 21 2HZ LYS 21 4.900 6.741 -8.018 213 3HZ LYS 21 3HZ LYS 21 5.479 5.189 -8.356 214 H GLU 22 H GLU 22 2.863 0.531 -4.139 215 HA GLU 22 HA GLU 22 2.963 -1.867 -5.546 216 1HB GLU 22 2HB GLU 22 4.026 -0.847 -2.955 217 2HB GLU 22 1HB GLU 22 4.122 -2.569 -3.268 218 1HG GLU 22 2HG GLU 22 5.024 -0.952 -5.506 219 2HG GLU 22 1HG GLU 22 5.951 -0.682 -4.024 220 H PHE 23 H PHE 23 0.743 -0.760 -3.267 221 HA PHE 23 HA PHE 23 -0.237 -3.491 -2.772 222 1HB PHE 23 2HB PHE 23 0.651 -2.197 -0.775 223 2HB PHE 23 1HB PHE 23 -0.715 -1.112 -0.983 224 HD1 PHE 23 1HD PHE 23 0.062 -4.732 -0.560 225 HD2 PHE 23 2HD PHE 23 -2.688 -1.553 0.106 226 HE1 PHE 23 1HE PHE 23 -1.348 -6.238 0.781 227 HE2 PHE 23 2HE PHE 23 -4.103 -3.051 1.447 228 HZ PHE 23 HZ PHE 23 -3.434 -5.397 1.788 229 H ALA 24 H ALA 24 -1.255 -0.088 -3.039 230 HA ALA 24 HA ALA 24 -4.000 -0.821 -3.465 231 1HB ALA 24 1HB ALA 24 -3.987 1.197 -2.449 232 2HB ALA 24 2HB ALA 24 -3.994 1.766 -4.119 233 3HB ALA 24 3HB ALA 24 -2.481 1.702 -3.216 234 H LYS 25 H LYS 25 -2.392 -2.068 -5.344 235 HA LYS 25 HA LYS 25 -2.486 -0.681 -7.862 236 1HB LYS 25 2HB LYS 25 -2.152 -3.164 -8.664 237 2HB LYS 25 1HB LYS 25 -0.839 -2.323 -7.849 238 1HG LYS 25 2HG LYS 25 -0.748 -4.022 -6.425 239 2HG LYS 25 1HG LYS 25 -2.311 -3.483 -5.785 240 1HD LYS 25 2HD LYS 25 -2.246 -5.892 -6.433 241 2HD LYS 25 1HD LYS 25 -3.488 -4.958 -7.264 242 1HE LYS 25 2HE LYS 25 -2.052 -6.623 -8.623 243 2HE LYS 25 1HE LYS 25 -2.359 -5.021 -9.290 244 1HZ LYS 25 1HZ LYS 25 0.053 -5.451 -7.670 245 2HZ LYS 25 2HZ LYS 25 -0.209 -4.363 -8.939 246 3HZ LYS 25 3HZ LYS 25 0.035 -6.004 -9.270 247 H PHE 26 H PHE 26 -4.116 -3.475 -6.498 248 HA PHE 26 HA PHE 26 -6.520 -2.923 -8.103 249 1HB PHE 26 2HB PHE 26 -5.686 -5.024 -8.827 250 2HB PHE 26 1HB PHE 26 -5.230 -5.482 -7.192 251 HD1 PHE 26 1HD PHE 26 -8.156 -4.880 -9.380 252 HD2 PHE 26 2HD PHE 26 -6.662 -6.732 -5.854 253 HE1 PHE 26 1HE PHE 26 -10.279 -6.099 -9.128 254 HE2 PHE 26 2HE PHE 26 -8.783 -7.956 -5.593 255 HZ PHE 26 HZ PHE 26 -10.594 -7.638 -7.231 256 H GLU 27 H GLU 27 -5.024 -3.122 -5.132 257 HA GLU 27 HA GLU 27 -7.028 -3.910 -3.364 258 1HB GLU 27 2HB GLU 27 -4.461 -2.482 -3.268 259 2HB GLU 27 1HB GLU 27 -5.548 -2.104 -1.954 260 1HG GLU 27 2HG GLU 27 -4.443 -4.781 -2.718 261 2HG GLU 27 1HG GLU 27 -4.153 -3.870 -1.233 262 H GLU 28 H GLU 28 -6.450 -0.901 -5.030 263 HA GLU 28 HA GLU 28 -8.147 0.713 -3.401 264 1HB GLU 28 2HB GLU 28 -7.929 2.387 -5.128 265 2HB GLU 28 1HB GLU 28 -6.360 1.634 -4.873 266 1HG GLU 28 2HG GLU 28 -6.603 0.324 -6.871 267 2HG GLU 28 1HG GLU 28 -8.258 0.893 -7.088 268 H GLU 29 H GLU 29 -8.802 -1.829 -5.343 269 HA GLU 29 HA GLU 29 -11.506 -0.862 -5.995 270 1HB GLU 29 2HB GLU 29 -10.238 -3.141 -7.458 271 2HB GLU 29 1HB GLU 29 -11.481 -2.020 -8.005 272 1HG GLU 29 2HG GLU 29 -8.933 -0.734 -7.415 273 2HG GLU 29 1HG GLU 29 -8.835 -1.946 -8.693 274 H ARG 30 H ARG 30 -9.828 -2.790 -3.942 275 HA ARG 30 HA ARG 30 -11.977 -4.798 -3.794 276 1HB ARG 30 2HB ARG 30 -9.279 -5.229 -4.045 277 2HB ARG 30 1HB ARG 30 -9.514 -5.371 -2.308 278 1HG ARG 30 2HG ARG 30 -11.258 -6.854 -4.241 279 2HG ARG 30 1HG ARG 30 -9.692 -7.487 -3.734 280 1HD ARG 30 2HD ARG 30 -11.584 -6.562 -1.636 281 2HD ARG 30 1HD ARG 30 -11.922 -8.091 -2.446 282 HE ARG 30 HE ARG 30 -9.927 -8.977 -1.548 283 1HH1 ARG 30 1HH1 ARG 30 -10.577 -5.722 -0.486 284 2HH1 ARG 30 2HH1 ARG 30 -9.489 -5.807 0.859 285 1HH2 ARG 30 1HH2 ARG 30 -8.493 -9.096 0.221 286 2HH2 ARG 30 2HH2 ARG 30 -8.306 -7.725 1.261 287 H ALA 31 H ALA 31 -9.756 -2.900 -1.747 288 HA ALA 31 HA ALA 31 -11.710 -3.155 0.438 289 1HB ALA 31 1HB ALA 31 -8.882 -2.311 0.898 290 2HB ALA 31 2HB ALA 31 -9.266 -4.015 0.660 291 3HB ALA 31 3HB ALA 31 -10.002 -3.123 1.991 292 H ARG 32 H ARG 32 -10.621 -1.004 -1.841 293 HA ARG 32 HA ARG 32 -10.906 1.351 -0.133 294 1HB ARG 32 2HB ARG 32 -9.391 0.795 -2.421 295 2HB ARG 32 1HB ARG 32 -10.645 1.903 -2.958 296 1HG ARG 32 2HG ARG 32 -8.566 3.032 -2.251 297 2HG ARG 32 1HG ARG 32 -9.986 3.541 -1.337 298 1HD ARG 32 2HD ARG 32 -9.138 1.536 0.231 299 2HD ARG 32 1HD ARG 32 -7.595 2.036 -0.463 300 HE ARG 32 HE ARG 32 -9.157 3.458 1.465 301 1HH1 ARG 32 1HH1 ARG 32 -6.877 3.825 -1.146 302 2HH1 ARG 32 2HH1 ARG 32 -6.278 5.348 -0.578 303 1HH2 ARG 32 1HH2 ARG 32 -8.386 5.467 2.208 304 2HH2 ARG 32 2HH2 ARG 32 -7.132 6.279 1.332 305 H ALA 33 H ALA 33 -12.265 0.231 -3.229 306 HA ALA 33 HA ALA 33 -14.285 2.087 -3.418 307 1HB ALA 33 1HB ALA 33 -13.692 0.595 -5.239 308 2HB ALA 33 2HB ALA 33 -15.422 0.512 -4.906 309 3HB ALA 33 3HB ALA 33 -14.355 -0.778 -4.353 310 H LYS 34 H LYS 34 -14.061 -0.420 -1.086 311 HA LYS 34 HA LYS 34 -16.854 -0.814 -0.710 312 1HB LYS 34 2HB LYS 34 -15.621 -1.210 1.791 313 2HB LYS 34 1HB LYS 34 -16.145 -2.429 0.647 314 1HG LYS 34 2HG LYS 34 -14.025 -2.782 -0.154 315 2HG LYS 34 1HG LYS 34 -13.449 -1.177 0.308 316 1HD LYS 34 2HD LYS 34 -12.453 -2.450 1.933 317 2HD LYS 34 1HD LYS 34 -13.975 -2.052 2.735 318 1HE LYS 34 2HE LYS 34 -14.504 -4.206 2.882 319 2HE LYS 34 1HE LYS 34 -14.319 -4.405 1.140 320 1HZ LYS 34 1HZ LYS 34 -12.751 -5.536 3.057 321 2HZ LYS 34 2HZ LYS 34 -11.806 -4.249 2.499 322 3HZ LYS 34 3HZ LYS 34 -12.372 -5.415 1.413 323 H TRP 35 H TRP 35 -14.474 1.102 1.099 324 HA TRP 35 HA TRP 35 -16.623 2.575 2.397 325 1HB TRP 35 2HB TRP 35 -14.712 3.658 3.635 326 2HB TRP 35 1HB TRP 35 -14.856 1.920 3.874 327 HD1 TRP 35 HD TRP 35 -13.113 3.859 1.017 328 HE1 TRP 35 1HE TRP 35 -10.689 3.109 0.929 329 HE3 TRP 35 3HE TRP 35 -13.089 0.658 5.004 330 HZ2 TRP 35 2HZ TRP 35 -8.944 1.378 2.332 331 HZ3 TRP 35 3HZ TRP 35 -10.998 -0.515 5.556 332 HH2 TRP 35 HH TRP 35 -8.972 -0.164 4.242 333 H ASP 36 H ASP 36 -14.898 2.750 -0.404 334 HA ASP 36 HA ASP 36 -15.044 5.686 -0.528 335 1HB ASP 36 2HB ASP 36 -12.998 3.802 -1.304 336 2HB ASP 36 1HB ASP 36 -13.539 4.720 -2.713 Start of MODEL 14 1 1H MET 1 1HT MET 1 15.352 -6.301 -3.523 2 2H MET 1 2HT MET 1 14.233 -5.212 -4.174 3 3H MET 1 3HT MET 1 14.098 -5.698 -2.559 4 HA MET 1 HA MET 1 16.395 -4.184 -3.650 5 1HB MET 1 2HB MET 1 13.979 -3.227 -2.109 6 2HB MET 1 1HB MET 1 15.386 -2.244 -2.484 7 1HG MET 1 2HG MET 1 13.493 -3.464 -4.480 8 2HG MET 1 1HG MET 1 13.552 -1.772 -3.998 9 1HE MET 1 1HE MET 1 16.104 -1.046 -3.583 10 2HE MET 1 2HE MET 1 16.104 -0.108 -5.079 11 3HE MET 1 3HE MET 1 17.387 -1.281 -4.773 12 H TRP 2 H TRP 2 15.018 -3.397 -0.634 13 HA TRP 2 HA TRP 2 17.178 -4.798 0.784 14 1HB TRP 2 2HB TRP 2 16.201 -2.488 2.162 15 2HB TRP 2 1HB TRP 2 17.830 -2.784 1.558 16 HD1 TRP 2 HD TRP 2 18.531 -1.439 -0.601 17 HE1 TRP 2 1HE TRP 2 17.344 0.324 -2.061 18 HE3 TRP 2 3HE TRP 2 13.808 -1.859 1.281 19 HZ2 TRP 2 2HZ TRP 2 14.709 1.385 -2.316 20 HZ3 TRP 2 3HZ TRP 2 12.060 -0.429 0.372 21 HH2 TRP 2 HH TRP 2 12.502 1.149 -1.399 22 H LYS 3 H LYS 3 14.580 -2.866 2.139 23 HA LYS 3 HA LYS 3 13.620 -5.174 3.662 24 1HB LYS 3 2HB LYS 3 12.521 -3.615 5.079 25 2HB LYS 3 1HB LYS 3 14.110 -2.926 4.773 26 1HG LYS 3 2HG LYS 3 12.026 -2.085 2.890 27 2HG LYS 3 1HG LYS 3 11.732 -1.614 4.562 28 1HD LYS 3 2HD LYS 3 13.874 -0.496 4.665 29 2HD LYS 3 1HD LYS 3 14.270 -1.067 3.045 30 1HE LYS 3 2HE LYS 3 13.578 1.223 2.921 31 2HE LYS 3 1HE LYS 3 12.376 0.196 2.137 32 1HZ LYS 3 1HZ LYS 3 12.015 2.035 4.219 33 2HZ LYS 3 2HZ LYS 3 11.688 0.497 4.842 34 3HZ LYS 3 3HZ LYS 3 10.851 1.054 3.482 35 H VAL 4 H VAL 4 12.922 -3.134 1.093 36 HA VAL 4 HA VAL 4 10.327 -2.869 0.786 37 HB VAL 4 HB VAL 4 12.429 -2.541 -0.818 38 1HG1 VAL 4 1HG1 VAL 4 11.811 -3.830 -2.955 39 2HG1 VAL 4 2HG1 VAL 4 10.961 -4.933 -1.868 40 3HG1 VAL 4 3HG1 VAL 4 12.698 -4.684 -1.690 41 1HG2 VAL 4 1HG2 VAL 4 10.034 -2.520 -2.434 42 2HG2 VAL 4 2HG2 VAL 4 11.038 -1.181 -1.876 43 3HG2 VAL 4 3HG2 VAL 4 9.768 -1.825 -0.836 44 H GLY 5 H GLY 5 12.061 -5.864 -0.091 45 1HA GLY 5 2HA GLY 5 10.063 -7.290 -1.222 46 2HA GLY 5 1HA GLY 5 11.263 -8.034 -0.167 47 H PHE 6 H PHE 6 10.403 -6.653 2.197 48 HA PHE 6 HA PHE 6 7.780 -7.900 2.517 49 1HB PHE 6 2HB PHE 6 8.556 -8.032 5.021 50 2HB PHE 6 1HB PHE 6 9.063 -9.264 3.872 51 HD1 PHE 6 1HD PHE 6 10.128 -6.299 5.764 52 HD2 PHE 6 2HD PHE 6 11.348 -9.503 3.243 53 HE1 PHE 6 1HE PHE 6 12.480 -5.830 6.313 54 HE2 PHE 6 2HE PHE 6 13.702 -9.040 3.785 55 HZ PHE 6 HZ PHE 6 14.271 -7.202 5.322 56 H PHE 7 H PHE 7 9.001 -5.063 2.034 57 HA PHE 7 HA PHE 7 7.464 -3.742 4.151 58 1HB PHE 7 2HB PHE 7 10.085 -3.326 3.456 59 2HB PHE 7 1HB PHE 7 9.245 -2.034 2.600 60 HD1 PHE 7 1HD PHE 7 8.112 -3.455 5.811 61 HD2 PHE 7 2HD PHE 7 10.055 -0.215 3.863 62 HE1 PHE 7 1HE PHE 7 7.950 -2.128 7.872 63 HE2 PHE 7 2HE PHE 7 9.913 1.120 5.918 64 HZ PHE 7 HZ PHE 7 8.853 0.165 7.934 65 H LYS 8 H LYS 8 8.198 -3.488 0.663 66 HA LYS 8 HA LYS 8 6.382 -1.423 0.207 67 1HB LYS 8 2HB LYS 8 6.339 -2.382 -2.208 68 2HB LYS 8 1HB LYS 8 7.807 -1.675 -1.541 69 1HG LYS 8 2HG LYS 8 8.245 -3.671 -2.868 70 2HG LYS 8 1HG LYS 8 8.777 -3.825 -1.206 71 1HD LYS 8 2HD LYS 8 7.642 -5.824 -2.358 72 2HD LYS 8 1HD LYS 8 7.174 -5.428 -0.711 73 1HE LYS 8 2HE LYS 8 5.069 -4.906 -1.326 74 2HE LYS 8 1HE LYS 8 5.594 -4.095 -2.803 75 1HZ LYS 8 1HZ LYS 8 4.285 -6.391 -2.811 76 2HZ LYS 8 2HZ LYS 8 5.863 -6.994 -2.742 77 3HZ LYS 8 3HZ LYS 8 5.402 -5.977 -4.013 78 H ARG 9 H ARG 9 5.818 -4.569 1.116 79 HA ARG 9 HA ARG 9 3.039 -4.491 0.157 80 1HB ARG 9 2HB ARG 9 3.436 -6.617 -0.456 81 2HB ARG 9 1HB ARG 9 5.001 -6.608 0.336 82 1HG ARG 9 2HG ARG 9 2.849 -6.856 2.253 83 2HG ARG 9 1HG ARG 9 2.789 -8.123 1.028 84 1HD ARG 9 2HD ARG 9 5.346 -8.309 1.497 85 2HD ARG 9 1HD ARG 9 4.939 -7.494 3.006 86 HE ARG 9 HE ARG 9 4.001 -10.149 2.169 87 1HH1 ARG 9 1HH1 ARG 9 4.368 -7.688 4.608 88 2HH1 ARG 9 2HH1 ARG 9 3.911 -8.730 5.913 89 1HH2 ARG 9 1HH2 ARG 9 3.401 -11.532 3.884 90 2HH2 ARG 9 2HH2 ARG 9 3.361 -10.914 5.503 91 H ASN 10 H ASN 10 5.113 -4.228 2.818 92 HA ASN 10 HA ASN 10 3.019 -4.718 4.796 93 1HB ASN 10 2HB ASN 10 5.229 -5.719 5.179 94 2HB ASN 10 1HB ASN 10 5.957 -4.112 5.150 95 1HD2 ASN 10 1HD2 ASN 10 5.722 -2.772 6.912 96 2HD2 ASN 10 2HD2 ASN 10 5.097 -3.315 8.429 97 H ARG 11 H ARG 11 5.634 -2.387 5.058 98 HA ARG 11 HA ARG 11 5.687 -0.185 5.585 99 1HB ARG 11 2HB ARG 11 4.818 0.183 3.380 100 2HB ARG 11 1HB ARG 11 3.188 -0.191 3.912 101 1HG ARG 11 2HG ARG 11 2.893 1.995 4.163 102 2HG ARG 11 1HG ARG 11 3.955 1.883 5.568 103 1HD ARG 11 2HD ARG 11 4.893 2.384 2.747 104 2HD ARG 11 1HD ARG 11 4.614 3.646 3.946 105 HE ARG 11 HE ARG 11 6.625 1.514 4.280 106 1HH1 ARG 11 1HH1 ARG 11 5.595 4.833 4.568 107 2HH1 ARG 11 2HH1 ARG 11 7.075 5.362 5.298 108 1HH2 ARG 11 1HH2 ARG 11 8.573 2.204 5.241 109 2HH2 ARG 11 2HH2 ARG 11 8.766 3.868 5.680 110 1H LYS 12 1HT LYS 12 15.085 4.827 -2.011 111 2H LYS 12 2HT LYS 12 16.290 3.640 -1.996 112 3H LYS 12 3HT LYS 12 16.392 4.962 -0.947 113 HA LYS 12 HA LYS 12 14.537 2.685 -0.856 114 1HB LYS 12 2HB LYS 12 16.775 2.548 0.234 115 2HB LYS 12 1HB LYS 12 16.293 3.882 1.277 116 1HG LYS 12 2HG LYS 12 14.199 2.246 1.671 117 2HG LYS 12 1HG LYS 12 15.458 1.051 1.304 118 1HD LYS 12 2HD LYS 12 15.521 1.314 3.635 119 2HD LYS 12 1HD LYS 12 16.888 2.257 3.036 120 1HE LYS 12 2HE LYS 12 14.477 3.840 3.156 121 2HE LYS 12 1HE LYS 12 14.846 3.123 4.722 122 1HZ LYS 12 1HZ LYS 12 16.766 4.299 4.916 123 2HZ LYS 12 2HZ LYS 12 15.890 5.400 3.978 124 3HZ LYS 12 3HZ LYS 12 17.034 4.390 3.248 125 H LEU 13 H LEU 13 14.246 5.917 -0.907 126 HA LEU 13 HA LEU 13 12.338 5.909 1.307 127 1HB LEU 13 2HB LEU 13 13.702 8.123 -0.189 128 2HB LEU 13 1HB LEU 13 12.263 8.433 0.761 129 HG LEU 13 HG LEU 13 13.341 8.196 2.756 130 1HD1 LEU 13 1HD1 LEU 13 14.111 5.766 1.962 131 2HD1 LEU 13 2HD1 LEU 13 14.832 6.576 3.361 132 3HD1 LEU 13 3HD1 LEU 13 15.665 6.600 1.808 133 1HD2 LEU 13 1HD2 LEU 13 15.280 9.118 0.708 134 2HD2 LEU 13 2HD2 LEU 13 15.870 8.848 2.347 135 3HD2 LEU 13 3HD2 LEU 13 14.556 9.990 2.059 136 H LEU 14 H LEU 14 12.281 4.930 -1.641 137 HA LEU 14 HA LEU 14 10.062 6.293 -2.828 138 1HB LEU 14 2HB LEU 14 9.963 4.093 -4.184 139 2HB LEU 14 1HB LEU 14 11.360 5.131 -4.384 140 HG LEU 14 HG LEU 14 11.606 2.996 -2.332 141 1HD1 LEU 14 1HD1 LEU 14 10.400 2.072 -4.446 142 2HD1 LEU 14 2HD1 LEU 14 11.781 1.207 -3.771 143 3HD1 LEU 14 3HD1 LEU 14 11.989 2.229 -5.194 144 1HD2 LEU 14 1HD2 LEU 14 13.779 3.393 -2.632 145 2HD2 LEU 14 2HD2 LEU 14 13.290 4.792 -3.589 146 3HD2 LEU 14 3HD2 LEU 14 13.645 3.259 -4.385 147 H ILE 15 H ILE 15 10.524 4.223 -0.280 148 HA ILE 15 HA ILE 15 8.136 2.688 -0.317 149 HB ILE 15 HB ILE 15 9.873 3.439 2.032 150 1HG1 ILE 15 2HG1 ILE 15 11.114 2.479 0.097 151 2HG1 ILE 15 1HG1 ILE 15 11.194 1.507 1.564 152 1HG2 ILE 15 1HG2 ILE 15 8.404 0.855 1.753 153 2HG2 ILE 15 2HG2 ILE 15 7.535 2.292 2.305 154 3HG2 ILE 15 3HG2 ILE 15 8.924 1.696 3.215 155 1HD1 ILE 15 1HD1 ILE 15 10.244 -0.220 0.586 156 2HD1 ILE 15 2HD1 ILE 15 10.536 0.615 -0.942 157 3HD1 ILE 15 3HD1 ILE 15 8.972 0.765 -0.138 158 H THR 16 H THR 16 8.577 5.919 -0.048 159 HA THR 16 HA THR 16 6.466 6.362 1.921 160 HB THR 16 HB THR 16 8.465 8.155 0.552 161 HG1 THR 16 1HG THR 16 9.394 7.984 2.404 162 1HG2 THR 16 1HG2 THR 16 7.534 10.108 1.403 163 2HG2 THR 16 2HG2 THR 16 6.389 9.232 2.420 164 3HG2 THR 16 3HG2 THR 16 6.173 9.259 0.670 165 H ILE 17 H ILE 17 7.125 6.473 -1.489 166 HA ILE 17 HA ILE 17 4.354 7.340 -1.952 167 HB ILE 17 HB ILE 17 6.848 8.287 -3.157 168 1HG1 ILE 17 2HG1 ILE 17 5.478 10.247 -3.636 169 2HG1 ILE 17 1HG1 ILE 17 4.012 9.343 -3.269 170 1HG2 ILE 17 1HG2 ILE 17 4.723 7.122 -4.867 171 2HG2 ILE 17 2HG2 ILE 17 6.468 7.228 -5.133 172 3HG2 ILE 17 3HG2 ILE 17 5.448 8.649 -5.378 173 1HD1 ILE 17 1HD1 ILE 17 4.521 9.267 -0.973 174 2HD1 ILE 17 2HD1 ILE 17 4.833 10.924 -1.491 175 3HD1 ILE 17 3HD1 ILE 17 6.177 9.809 -1.244 176 H HIS 18 H HIS 18 7.008 5.568 -3.583 177 HA HIS 18 HA HIS 18 5.475 4.152 -5.396 178 1HB HIS 18 2HB HIS 18 7.540 3.503 -5.958 179 2HB HIS 18 1HB HIS 18 8.168 4.069 -4.417 180 HD1 HIS 18 1HD HIS 18 8.038 2.239 -2.423 181 HD2 HIS 18 2HD HIS 18 7.639 0.816 -6.305 182 HE1 HIS 18 1HE HIS 18 8.507 -0.229 -2.284 183 HE2 HIS 18 2HE HIS 18 8.205 -1.079 -4.637 184 H ASP 19 H ASP 19 5.633 3.850 -2.025 185 HA ASP 19 HA ASP 19 4.795 1.131 -1.786 186 1HB ASP 19 2HB ASP 19 5.478 3.354 -0.054 187 2HB ASP 19 1HB ASP 19 4.086 2.469 0.553 188 H ARG 20 H ARG 20 3.185 4.263 -1.818 189 HA ARG 20 HA ARG 20 0.635 3.391 -1.035 190 1HB ARG 20 2HB ARG 20 -0.046 5.539 -1.446 191 2HB ARG 20 1HB ARG 20 1.693 5.802 -1.393 192 1HG ARG 20 2HG ARG 20 1.175 5.150 -4.034 193 2HG ARG 20 1HG ARG 20 -0.159 6.208 -3.561 194 1HD ARG 20 2HD ARG 20 2.672 6.898 -2.879 195 2HD ARG 20 1HD ARG 20 2.023 7.258 -4.481 196 HE ARG 20 HE ARG 20 1.077 8.408 -1.944 197 1HH1 ARG 20 1HH1 ARG 20 1.183 8.400 -5.426 198 2HH1 ARG 20 2HH1 ARG 20 0.416 9.945 -5.582 199 1HH2 ARG 20 1HH2 ARG 20 0.063 10.443 -2.140 200 2HH2 ARG 20 2HH2 ARG 20 -0.221 11.106 -3.715 201 H LYS 21 H LYS 21 2.385 2.874 -3.864 202 HA LYS 21 HA LYS 21 -0.031 2.237 -5.409 203 1HB LYS 21 2HB LYS 21 2.407 1.966 -6.913 204 2HB LYS 21 1HB LYS 21 1.030 3.017 -7.214 205 1HG LYS 21 2HG LYS 21 1.987 4.800 -6.137 206 2HG LYS 21 1HG LYS 21 3.014 3.779 -5.126 207 1HD LYS 21 2HD LYS 21 4.688 4.066 -6.556 208 2HD LYS 21 1HD LYS 21 3.730 3.293 -7.818 209 1HE LYS 21 2HE LYS 21 3.059 5.287 -8.724 210 2HE LYS 21 1HE LYS 21 3.181 6.147 -7.190 211 1HZ LYS 21 1HZ LYS 21 5.249 5.594 -9.180 212 2HZ LYS 21 2HZ LYS 21 5.719 5.622 -7.556 213 3HZ LYS 21 3HZ LYS 21 4.990 6.982 -8.247 214 H GLU 22 H GLU 22 2.838 0.917 -3.970 215 HA GLU 22 HA GLU 22 2.852 -1.580 -5.288 216 1HB GLU 22 2HB GLU 22 4.113 -0.390 -2.869 217 2HB GLU 22 1HB GLU 22 4.092 -2.138 -2.997 218 1HG GLU 22 2HG GLU 22 5.023 -0.584 -5.340 219 2HG GLU 22 1HG GLU 22 6.080 -0.680 -3.925 220 H PHE 23 H PHE 23 0.622 -0.253 -3.247 221 HA PHE 23 HA PHE 23 -0.266 -2.890 -2.272 222 1HB PHE 23 2HB PHE 23 0.490 -1.248 -0.511 223 2HB PHE 23 1HB PHE 23 -0.853 -0.220 -0.986 224 HD1 PHE 23 1HD PHE 23 -0.123 -3.685 0.165 225 HD2 PHE 23 2HD PHE 23 -2.882 -0.448 0.069 226 HE1 PHE 23 1HE PHE 23 -1.597 -4.901 1.716 227 HE2 PHE 23 2HE PHE 23 -4.362 -1.655 1.618 228 HZ PHE 23 HZ PHE 23 -3.719 -3.886 2.445 229 H ALA 24 H ALA 24 -1.335 0.303 -3.401 230 HA ALA 24 HA ALA 24 -4.072 -0.544 -3.656 231 1HB ALA 24 1HB ALA 24 -3.850 1.714 -3.138 232 2HB ALA 24 2HB ALA 24 -4.270 1.716 -4.853 233 3HB ALA 24 3HB ALA 24 -2.597 1.970 -4.354 234 H LYS 25 H LYS 25 -2.324 -2.197 -5.063 235 HA LYS 25 HA LYS 25 -2.312 -1.651 -7.863 236 1HB LYS 25 2HB LYS 25 -2.074 -4.317 -7.777 237 2HB LYS 25 1HB LYS 25 -0.736 -3.253 -7.357 238 1HG LYS 25 2HG LYS 25 -0.624 -4.295 -5.398 239 2HG LYS 25 1HG LYS 25 -2.180 -3.557 -4.982 240 1HD LYS 25 2HD LYS 25 -2.755 -5.730 -4.692 241 2HD LYS 25 1HD LYS 25 -3.069 -5.618 -6.425 242 1HE LYS 25 2HE LYS 25 -1.601 -7.248 -6.777 243 2HE LYS 25 1HE LYS 25 -0.328 -6.221 -6.118 244 1HZ LYS 25 1HZ LYS 25 -0.577 -8.419 -5.008 245 2HZ LYS 25 2HZ LYS 25 -2.091 -7.921 -4.442 246 3HZ LYS 25 3HZ LYS 25 -0.696 -7.099 -3.957 247 H PHE 26 H PHE 26 -4.053 -3.953 -5.871 248 HA PHE 26 HA PHE 26 -6.363 -3.873 -7.693 249 1HB PHE 26 2HB PHE 26 -5.618 -6.097 -7.756 250 2HB PHE 26 1HB PHE 26 -5.079 -6.044 -6.083 251 HD1 PHE 26 1HD PHE 26 -6.379 -6.949 -4.405 252 HD2 PHE 26 2HD PHE 26 -8.156 -6.069 -8.169 253 HE1 PHE 26 1HE PHE 26 -8.438 -8.082 -3.690 254 HE2 PHE 26 2HE PHE 26 -10.224 -7.200 -7.461 255 HZ PHE 26 HZ PHE 26 -10.368 -8.208 -5.218 256 H GLU 27 H GLU 27 -5.030 -3.208 -4.705 257 HA GLU 27 HA GLU 27 -7.167 -3.428 -2.917 258 1HB GLU 27 2HB GLU 27 -4.565 -2.029 -3.048 259 2HB GLU 27 1HB GLU 27 -5.725 -1.370 -1.916 260 1HG GLU 27 2HG GLU 27 -4.595 -4.150 -1.979 261 2HG GLU 27 1HG GLU 27 -4.353 -2.907 -0.746 262 H GLU 28 H GLU 28 -6.469 -1.154 -5.418 263 HA GLU 28 HA GLU 28 -8.118 0.971 -4.432 264 1HB GLU 28 2HB GLU 28 -7.796 1.978 -6.617 265 2HB GLU 28 1HB GLU 28 -6.264 1.338 -6.039 266 1HG GLU 28 2HG GLU 28 -6.507 -0.604 -7.470 267 2HG GLU 28 1HG GLU 28 -8.080 -0.026 -8.015 268 H GLU 29 H GLU 29 -8.824 -2.038 -5.431 269 HA GLU 29 HA GLU 29 -11.466 -1.285 -6.492 270 1HB GLU 29 2HB GLU 29 -10.078 -3.911 -7.016 271 2HB GLU 29 1HB GLU 29 -11.468 -3.231 -7.856 272 1HG GLU 29 2HG GLU 29 -8.892 -1.748 -7.914 273 2HG GLU 29 1HG GLU 29 -9.071 -3.188 -8.917 274 H ARG 30 H ARG 30 -9.673 -2.912 -4.090 275 HA ARG 30 HA ARG 30 -12.008 -4.418 -3.149 276 1HB ARG 30 2HB ARG 30 -9.319 -5.081 -3.312 277 2HB ARG 30 1HB ARG 30 -9.553 -4.721 -1.607 278 1HG ARG 30 2HG ARG 30 -11.230 -6.658 -3.185 279 2HG ARG 30 1HG ARG 30 -9.851 -7.105 -2.177 280 1HD ARG 30 2HD ARG 30 -12.331 -5.685 -1.208 281 2HD ARG 30 1HD ARG 30 -12.016 -7.410 -1.028 282 HE ARG 30 HE ARG 30 -10.418 -5.288 0.252 283 1HH1 ARG 30 1HH1 ARG 30 -11.766 -8.502 0.200 284 2HH1 ARG 30 2HH1 ARG 30 -11.144 -8.926 1.760 285 1HH2 ARG 30 1HH2 ARG 30 -9.602 -5.836 2.307 286 2HH2 ARG 30 2HH2 ARG 30 -9.915 -7.411 2.958 287 H ALA 31 H ALA 31 -9.448 -2.326 -1.845 288 HA ALA 31 HA ALA 31 -10.894 -1.821 0.580 289 1HB ALA 31 1HB ALA 31 -8.621 -0.077 -0.100 290 2HB ALA 31 2HB ALA 31 -8.265 -1.803 -0.024 291 3HB ALA 31 3HB ALA 31 -8.958 -0.984 1.375 292 H ARG 32 H ARG 32 -11.522 -0.812 -2.391 293 HA ARG 32 HA ARG 32 -12.146 1.956 -1.610 294 1HB ARG 32 2HB ARG 32 -10.915 0.972 -3.906 295 2HB ARG 32 1HB ARG 32 -12.561 1.322 -4.415 296 1HG ARG 32 2HG ARG 32 -11.029 3.212 -4.768 297 2HG ARG 32 1HG ARG 32 -12.359 3.605 -3.677 298 1HD ARG 32 2HD ARG 32 -10.523 2.779 -1.888 299 2HD ARG 32 1HD ARG 32 -9.458 3.408 -3.148 300 HE ARG 32 HE ARG 32 -11.304 4.926 -1.493 301 1HH1 ARG 32 1HH1 ARG 32 -9.142 4.880 -4.225 302 2HH1 ARG 32 2HH1 ARG 32 -8.976 6.603 -4.284 303 1HH2 ARG 32 1HH2 ARG 32 -11.101 7.188 -1.568 304 2HH2 ARG 32 2HH2 ARG 32 -10.089 7.917 -2.771 305 H ALA 33 H ALA 33 -13.544 -0.579 -3.698 306 HA ALA 33 HA ALA 33 -16.105 0.372 -3.836 307 1HB ALA 33 1HB ALA 33 -14.836 -1.953 -4.599 308 2HB ALA 33 2HB ALA 33 -16.525 -1.548 -4.899 309 3HB ALA 33 3HB ALA 33 -16.087 -2.518 -3.492 310 H LYS 34 H LYS 34 -14.528 -0.952 -1.068 311 HA LYS 34 HA LYS 34 -16.681 -1.875 0.436 312 1HB LYS 34 2HB LYS 34 -15.274 -1.032 2.427 313 2HB LYS 34 1HB LYS 34 -14.576 -2.271 1.394 314 1HG LYS 34 2HG LYS 34 -13.165 -0.670 0.320 315 2HG LYS 34 1HG LYS 34 -14.012 0.668 1.094 316 1HD LYS 34 2HD LYS 34 -11.770 0.038 2.090 317 2HD LYS 34 1HD LYS 34 -13.124 0.148 3.215 318 1HE LYS 34 2HE LYS 34 -11.506 -1.855 3.404 319 2HE LYS 34 1HE LYS 34 -13.240 -2.155 3.497 320 1HZ LYS 34 1HZ LYS 34 -11.438 -3.330 1.774 321 2HZ LYS 34 2HZ LYS 34 -12.340 -2.276 0.809 322 3HZ LYS 34 3HZ LYS 34 -13.124 -3.460 1.725 323 H TRP 35 H TRP 35 -15.184 1.326 0.524 324 HA TRP 35 HA TRP 35 -17.571 2.444 1.764 325 1HB TRP 35 2HB TRP 35 -16.116 4.477 1.976 326 2HB TRP 35 1HB TRP 35 -15.522 3.069 2.840 327 HD1 TRP 35 HD TRP 35 -15.038 4.135 -0.856 328 HE1 TRP 35 1HE TRP 35 -12.543 4.221 -1.315 329 HE3 TRP 35 3HE TRP 35 -13.308 2.931 3.793 330 HZ2 TRP 35 2HZ TRP 35 -10.106 3.825 0.079 331 HZ3 TRP 35 3HZ TRP 35 -10.881 2.790 4.142 332 HH2 TRP 35 HH TRP 35 -9.310 3.232 2.326 333 H ASP 36 H ASP 36 -16.446 1.831 -1.222 334 HA ASP 36 HA ASP 36 -17.671 4.230 -2.412 335 1HB ASP 36 2HB ASP 36 -15.169 2.957 -2.891 336 2HB ASP 36 1HB ASP 36 -16.168 2.728 -4.330 Start of MODEL 15 1 1H MET 1 1HT MET 1 15.306 -5.375 -4.285 2 2H MET 1 2HT MET 1 14.097 -4.270 -3.859 3 3H MET 1 3HT MET 1 14.503 -5.528 -2.804 4 HA MET 1 HA MET 1 16.734 -3.872 -3.524 5 1HB MET 1 2HB MET 1 14.495 -2.702 -1.871 6 2HB MET 1 1HB MET 1 16.050 -1.952 -2.193 7 1HG MET 1 2HG MET 1 14.014 -2.626 -4.303 8 2HG MET 1 1HG MET 1 14.190 -1.044 -3.545 9 1HE MET 1 1HE MET 1 16.877 -0.795 -2.956 10 2HE MET 1 2HE MET 1 17.216 0.365 -4.241 11 3HE MET 1 3HE MET 1 18.149 -1.128 -4.133 12 H TRP 2 H TRP 2 15.191 -3.406 -0.497 13 HA TRP 2 HA TRP 2 17.025 -5.319 0.772 14 1HB TRP 2 2HB TRP 2 16.169 -3.188 2.490 15 2HB TRP 2 1HB TRP 2 17.806 -3.599 1.998 16 HD1 TRP 2 HD TRP 2 18.926 -2.018 0.251 17 HE1 TRP 2 1HE TRP 2 18.184 0.140 -0.941 18 HE3 TRP 2 3HE TRP 2 13.950 -2.043 1.482 19 HZ2 TRP 2 2HZ TRP 2 15.801 1.607 -1.278 20 HZ3 TRP 2 3HZ TRP 2 12.541 -0.199 0.665 21 HH2 TRP 2 HH TRP 2 13.462 1.576 -0.687 22 H LYS 3 H LYS 3 14.591 -3.370 2.349 23 HA LYS 3 HA LYS 3 13.241 -5.760 3.334 24 1HB LYS 3 2HB LYS 3 12.182 -4.293 4.915 25 2HB LYS 3 1HB LYS 3 13.893 -3.881 4.891 26 1HG LYS 3 2HG LYS 3 12.188 -2.358 3.039 27 2HG LYS 3 1HG LYS 3 11.870 -2.096 4.752 28 1HD LYS 3 2HD LYS 3 14.172 -1.461 5.122 29 2HD LYS 3 1HD LYS 3 14.572 -1.852 3.451 30 1HE LYS 3 2HE LYS 3 14.332 0.525 3.659 31 2HE LYS 3 1HE LYS 3 13.011 -0.123 2.678 32 1HZ LYS 3 1HZ LYS 3 11.563 0.750 4.092 33 2HZ LYS 3 2HZ LYS 3 12.830 1.451 4.966 34 3HZ LYS 3 3HZ LYS 3 12.251 -0.078 5.398 35 H VAL 4 H VAL 4 13.005 -3.211 1.155 36 HA VAL 4 HA VAL 4 10.490 -2.562 0.710 37 HB VAL 4 HB VAL 4 12.628 -2.024 -0.642 38 1HG1 VAL 4 1HG1 VAL 4 11.569 -4.463 -2.052 39 2HG1 VAL 4 2HG1 VAL 4 13.226 -4.100 -1.558 40 3HG1 VAL 4 3HG1 VAL 4 12.500 -3.231 -2.910 41 1HG2 VAL 4 1HG2 VAL 4 11.314 -0.790 -1.958 42 2HG2 VAL 4 2HG2 VAL 4 9.988 -1.499 -1.038 43 3HG2 VAL 4 3HG2 VAL 4 10.455 -2.195 -2.590 44 H GLY 5 H GLY 5 11.964 -5.587 -0.453 45 1HA GLY 5 2HA GLY 5 10.010 -6.544 -2.042 46 2HA GLY 5 1HA GLY 5 10.947 -7.596 -0.987 47 H PHE 6 H PHE 6 9.978 -6.639 1.471 48 HA PHE 6 HA PHE 6 7.157 -7.356 1.244 49 1HB PHE 6 2HB PHE 6 7.584 -8.246 3.699 50 2HB PHE 6 1HB PHE 6 7.933 -9.252 2.297 51 HD1 PHE 6 1HD PHE 6 9.403 -7.184 4.954 52 HD2 PHE 6 2HD PHE 6 10.171 -9.848 1.726 53 HE1 PHE 6 1HE PHE 6 11.729 -7.429 5.715 54 HE2 PHE 6 2HE PHE 6 12.498 -10.099 2.481 55 HZ PHE 6 HZ PHE 6 13.281 -8.889 4.478 56 H PHE 7 H PHE 7 8.847 -4.767 1.582 57 HA PHE 7 HA PHE 7 7.493 -3.784 3.992 58 1HB PHE 7 2HB PHE 7 10.096 -3.573 3.376 59 2HB PHE 7 1HB PHE 7 9.498 -2.095 2.635 60 HD1 PHE 7 1HD PHE 7 8.337 -3.752 5.755 61 HD2 PHE 7 2HD PHE 7 10.283 -0.406 3.993 62 HE1 PHE 7 1HE PHE 7 8.339 -2.614 7.934 63 HE2 PHE 7 2HE PHE 7 10.305 0.739 6.165 64 HZ PHE 7 HZ PHE 7 9.327 -0.365 8.145 65 H LYS 8 H LYS 8 8.126 -2.879 0.621 66 HA LYS 8 HA LYS 8 6.669 -0.506 0.697 67 1HB LYS 8 2HB LYS 8 6.531 -0.757 -1.801 68 2HB LYS 8 1HB LYS 8 8.137 -0.815 -1.089 69 1HG LYS 8 2HG LYS 8 7.301 -2.495 -2.992 70 2HG LYS 8 1HG LYS 8 8.535 -2.884 -1.806 71 1HD LYS 8 2HD LYS 8 7.205 -4.747 -1.698 72 2HD LYS 8 1HD LYS 8 6.510 -3.760 -0.411 73 1HE LYS 8 2HE LYS 8 4.553 -3.881 -1.407 74 2HE LYS 8 1HE LYS 8 5.214 -3.005 -2.787 75 1HZ LYS 8 1HZ LYS 8 5.846 -5.829 -2.714 76 2HZ LYS 8 2HZ LYS 8 5.345 -4.866 -4.012 77 3HZ LYS 8 3HZ LYS 8 4.204 -5.479 -2.923 78 H ARG 9 H ARG 9 5.544 -3.520 1.218 79 HA ARG 9 HA ARG 9 2.823 -2.819 0.357 80 1HB ARG 9 2HB ARG 9 3.030 -4.792 -0.767 81 2HB ARG 9 1HB ARG 9 4.338 -5.355 0.258 82 1HG ARG 9 2HG ARG 9 2.207 -5.483 1.956 83 2HG ARG 9 1HG ARG 9 1.469 -5.882 0.404 84 1HD ARG 9 2HD ARG 9 4.025 -7.211 0.826 85 2HD ARG 9 1HD ARG 9 2.826 -7.623 2.052 86 HE ARG 9 HE ARG 9 2.303 -7.905 -0.836 87 1HH1 ARG 9 1HH1 ARG 9 2.207 -9.121 2.428 88 2HH1 ARG 9 2HH1 ARG 9 1.360 -10.569 2.001 89 1HH2 ARG 9 1HH2 ARG 9 1.187 -9.807 -1.407 90 2HH2 ARG 9 2HH2 ARG 9 0.780 -10.959 -0.180 91 H ASN 10 H ASN 10 4.981 -3.619 2.865 92 HA ASN 10 HA ASN 10 2.942 -4.155 4.861 93 1HB ASN 10 2HB ASN 10 4.906 -5.490 5.036 94 2HB ASN 10 1HB ASN 10 5.955 -4.077 4.914 95 1HD2 ASN 10 1HD2 ASN 10 6.998 -4.111 6.805 96 2HD2 ASN 10 2HD2 ASN 10 6.244 -4.077 8.360 97 H ARG 11 H ARG 11 5.815 -2.094 5.075 98 HA ARG 11 HA ARG 11 6.158 -0.012 5.903 99 1HB ARG 11 2HB ARG 11 4.518 0.600 4.115 100 2HB ARG 11 1HB ARG 11 3.252 0.494 5.325 101 1HG ARG 11 2HG ARG 11 3.625 2.704 5.498 102 2HG ARG 11 1HG ARG 11 4.916 2.177 6.579 103 1HD ARG 11 2HD ARG 11 5.389 2.493 3.636 104 2HD ARG 11 1HD ARG 11 5.471 3.878 4.723 105 HE ARG 11 HE ARG 11 7.349 1.675 4.549 106 1HH1 ARG 11 1HH1 ARG 11 6.205 4.411 6.383 107 2HH1 ARG 11 2HH1 ARG 11 7.685 4.605 7.259 108 1HH2 ARG 11 1HH2 ARG 11 9.303 1.935 5.688 109 2HH2 ARG 11 2HH2 ARG 11 9.446 3.197 6.865 110 1H LYS 12 1HT LYS 12 17.421 3.839 -0.856 111 2H LYS 12 2HT LYS 12 16.811 5.342 -0.374 112 3H LYS 12 3HT LYS 12 16.036 4.468 -1.597 113 HA LYS 12 HA LYS 12 15.282 2.840 -0.136 114 1HB LYS 12 2HB LYS 12 17.403 2.708 1.131 115 2HB LYS 12 1HB LYS 12 16.933 4.159 2.010 116 1HG LYS 12 2HG LYS 12 14.740 2.511 2.290 117 2HG LYS 12 1HG LYS 12 16.116 1.402 2.399 118 1HD LYS 12 2HD LYS 12 16.962 3.474 3.935 119 2HD LYS 12 1HD LYS 12 15.227 3.499 4.247 120 1HE LYS 12 2HE LYS 12 15.386 1.033 4.708 121 2HE LYS 12 1HE LYS 12 17.141 1.208 4.642 122 1HZ LYS 12 1HZ LYS 12 15.992 1.336 6.908 123 2HZ LYS 12 2HZ LYS 12 15.520 2.892 6.443 124 3HZ LYS 12 3HZ LYS 12 17.162 2.505 6.548 125 H LEU 13 H LEU 13 15.107 6.061 -0.421 126 HA LEU 13 HA LEU 13 12.955 6.260 1.549 127 1HB LEU 13 2HB LEU 13 14.184 8.515 -0.028 128 2HB LEU 13 1HB LEU 13 13.136 8.642 1.373 129 HG LEU 13 HG LEU 13 15.170 9.056 2.350 130 1HD1 LEU 13 1HD1 LEU 13 15.059 6.023 2.418 131 2HD1 LEU 13 2HD1 LEU 13 14.218 7.135 3.511 132 3HD1 LEU 13 3HD1 LEU 13 15.979 7.058 3.521 133 1HD2 LEU 13 1HD2 LEU 13 17.069 8.837 1.228 134 2HD2 LEU 13 2HD2 LEU 13 16.182 7.984 -0.035 135 3HD2 LEU 13 3HD2 LEU 13 16.944 7.079 1.274 136 H LEU 14 H LEU 14 12.862 4.791 -0.916 137 HA LEU 14 HA LEU 14 10.977 6.266 -2.586 138 1HB LEU 14 2HB LEU 14 11.088 4.283 -4.044 139 2HB LEU 14 1HB LEU 14 12.664 4.981 -3.754 140 HG LEU 14 HG LEU 14 12.995 3.154 -1.989 141 1HD1 LEU 14 1HD1 LEU 14 10.326 2.633 -2.487 142 2HD1 LEU 14 2HD1 LEU 14 11.453 1.586 -1.629 143 3HD1 LEU 14 3HD1 LEU 14 11.173 1.355 -3.354 144 1HD2 LEU 14 1HD2 LEU 14 13.911 1.722 -3.567 145 2HD2 LEU 14 2HD2 LEU 14 13.847 3.262 -4.425 146 3HD2 LEU 14 3HD2 LEU 14 12.625 2.027 -4.736 147 H ILE 15 H ILE 15 11.123 4.113 -0.005 148 HA ILE 15 HA ILE 15 8.737 2.650 -0.343 149 HB ILE 15 HB ILE 15 10.536 3.249 1.994 150 1HG1 ILE 15 2HG1 ILE 15 11.258 1.673 0.245 151 2HG1 ILE 15 1HG1 ILE 15 11.064 0.891 1.811 152 1HG2 ILE 15 1HG2 ILE 15 8.960 1.146 2.830 153 2HG2 ILE 15 2HG2 ILE 15 7.794 2.288 2.158 154 3HG2 ILE 15 3HG2 ILE 15 8.891 2.801 3.441 155 1HD1 ILE 15 1HD1 ILE 15 8.681 0.340 0.909 156 2HD1 ILE 15 2HD1 ILE 15 10.072 -0.625 0.417 157 3HD1 ILE 15 3HD1 ILE 15 9.433 0.617 -0.662 158 H THR 16 H THR 16 8.929 5.831 -0.262 159 HA THR 16 HA THR 16 6.627 6.254 1.504 160 HB THR 16 HB THR 16 7.303 8.747 0.655 161 HG1 THR 16 1HG THR 16 9.206 7.470 -0.332 162 1HG2 THR 16 1HG2 THR 16 7.576 7.270 3.046 163 2HG2 THR 16 2HG2 THR 16 7.526 9.020 2.831 164 3HG2 THR 16 3HG2 THR 16 9.071 8.171 2.793 165 H ILE 17 H ILE 17 7.244 5.539 -1.659 166 HA ILE 17 HA ILE 17 4.836 6.977 -2.546 167 HB ILE 17 HB ILE 17 7.411 7.155 -3.652 168 1HG1 ILE 17 2HG1 ILE 17 5.685 8.902 -3.591 169 2HG1 ILE 17 1HG1 ILE 17 6.331 8.691 -5.214 170 1HG2 ILE 17 1HG2 ILE 17 5.818 5.174 -5.084 171 2HG2 ILE 17 2HG2 ILE 17 7.541 5.552 -5.193 172 3HG2 ILE 17 3HG2 ILE 17 6.368 6.510 -6.100 173 1HD1 ILE 17 1HD1 ILE 17 3.996 7.043 -4.748 174 2HD1 ILE 17 2HD1 ILE 17 4.329 8.200 -6.036 175 3HD1 ILE 17 3HD1 ILE 17 3.673 8.758 -4.496 176 H HIS 18 H HIS 18 6.787 4.085 -3.421 177 HA HIS 18 HA HIS 18 4.766 2.743 -4.810 178 1HB HIS 18 2HB HIS 18 6.868 1.373 -3.139 179 2HB HIS 18 1HB HIS 18 6.125 0.806 -4.619 180 HD1 HIS 18 1HD HIS 18 8.685 3.131 -3.337 181 HD2 HIS 18 2HD HIS 18 7.216 1.764 -6.966 182 HE1 HIS 18 1HE HIS 18 10.321 3.955 -5.080 183 HE2 HIS 18 2HE HIS 18 9.337 3.223 -7.281 184 H ASP 19 H ASP 19 5.597 2.879 -1.452 185 HA ASP 19 HA ASP 19 3.900 0.840 -0.535 186 1HB ASP 19 2HB ASP 19 5.883 2.223 0.489 187 2HB ASP 19 1HB ASP 19 4.571 3.200 1.148 188 H ARG 20 H ARG 20 3.025 3.438 -2.181 189 HA ARG 20 HA ARG 20 0.476 3.775 -0.768 190 1HB ARG 20 2HB ARG 20 2.355 5.724 -1.808 191 2HB ARG 20 1HB ARG 20 0.744 5.948 -2.476 192 1HG ARG 20 2HG ARG 20 0.287 7.109 -0.639 193 2HG ARG 20 1HG ARG 20 0.268 5.562 0.211 194 1HD ARG 20 2HD ARG 20 2.863 5.964 0.324 195 2HD ARG 20 1HD ARG 20 2.395 7.649 0.098 196 HE ARG 20 HE ARG 20 1.405 7.643 2.201 197 1HH1 ARG 20 1HH1 ARG 20 2.566 4.465 1.360 198 2HH1 ARG 20 2HH1 ARG 20 2.429 3.848 2.972 199 1HH2 ARG 20 1HH2 ARG 20 1.222 6.838 4.327 200 2HH2 ARG 20 2HH2 ARG 20 1.665 5.196 4.658 201 H LYS 21 H LYS 21 2.091 2.762 -3.531 202 HA LYS 21 HA LYS 21 -0.388 2.706 -5.118 203 1HB LYS 21 2HB LYS 21 1.863 2.205 -6.770 204 2HB LYS 21 1HB LYS 21 0.775 3.588 -6.808 205 1HG LYS 21 2HG LYS 21 2.159 4.868 -5.444 206 2HG LYS 21 1HG LYS 21 3.064 3.461 -4.869 207 1HD LYS 21 2HD LYS 21 4.522 4.465 -6.389 208 2HD LYS 21 1HD LYS 21 3.761 3.188 -7.341 209 1HE LYS 21 2HE LYS 21 2.615 4.654 -8.646 210 2HE LYS 21 1HE LYS 21 2.437 5.835 -7.349 211 1HZ LYS 21 1HZ LYS 21 4.007 6.312 -9.343 212 2HZ LYS 21 2HZ LYS 21 5.100 5.346 -8.490 213 3HZ LYS 21 3HZ LYS 21 4.480 6.749 -7.777 214 H GLU 22 H GLU 22 2.655 0.995 -4.608 215 HA GLU 22 HA GLU 22 2.247 -1.381 -5.845 216 1HB GLU 22 2HB GLU 22 3.790 -0.410 -3.547 217 2HB GLU 22 1HB GLU 22 3.503 -2.140 -3.536 218 1HG GLU 22 2HG GLU 22 4.492 -0.897 -6.038 219 2HG GLU 22 1HG GLU 22 5.611 -1.058 -4.674 220 H PHE 23 H PHE 23 0.623 -0.179 -3.060 221 HA PHE 23 HA PHE 23 -0.371 -2.777 -2.231 222 1HB PHE 23 2HB PHE 23 0.189 -1.138 -0.519 223 2HB PHE 23 1HB PHE 23 -0.950 0.010 -1.207 224 HD1 PHE 23 1HD PHE 23 -2.863 0.277 0.002 225 HD2 PHE 23 2HD PHE 23 -1.030 -3.562 -0.099 226 HE1 PHE 23 1HE PHE 23 -4.626 -0.598 1.479 227 HE2 PHE 23 2HE PHE 23 -2.791 -4.446 1.375 228 HZ PHE 23 HZ PHE 23 -4.591 -2.962 2.167 229 H ALA 24 H ALA 24 -1.544 0.148 -3.812 230 HA ALA 24 HA ALA 24 -4.255 -0.806 -3.975 231 1HB ALA 24 1HB ALA 24 -4.360 1.452 -3.948 232 2HB ALA 24 2HB ALA 24 -4.244 1.246 -5.696 233 3HB ALA 24 3HB ALA 24 -2.805 1.647 -4.758 234 H LYS 25 H LYS 25 -2.393 -2.612 -5.087 235 HA LYS 25 HA LYS 25 -2.301 -2.476 -7.926 236 1HB LYS 25 2HB LYS 25 -2.041 -5.086 -7.515 237 2HB LYS 25 1HB LYS 25 -0.741 -3.974 -7.101 238 1HG LYS 25 2HG LYS 25 -0.783 -4.805 -5.042 239 2HG LYS 25 1HG LYS 25 -2.378 -4.065 -4.831 240 1HD LYS 25 2HD LYS 25 -2.549 -6.389 -4.274 241 2HD LYS 25 1HD LYS 25 -3.379 -6.132 -5.809 242 1HE LYS 25 2HE LYS 25 -0.831 -6.728 -6.616 243 2HE LYS 25 1HE LYS 25 -1.017 -7.745 -5.186 244 1HZ LYS 25 1HZ LYS 25 -3.197 -7.713 -7.140 245 2HZ LYS 25 2HZ LYS 25 -2.644 -8.976 -6.159 246 3HZ LYS 25 3HZ LYS 25 -1.784 -8.548 -7.551 247 H PHE 26 H PHE 26 -4.134 -4.488 -5.710 248 HA PHE 26 HA PHE 26 -6.353 -4.670 -7.634 249 1HB PHE 26 2HB PHE 26 -5.662 -6.881 -7.313 250 2HB PHE 26 1HB PHE 26 -5.171 -6.572 -5.650 251 HD1 PHE 26 1HD PHE 26 -8.093 -7.108 -7.847 252 HD2 PHE 26 2HD PHE 26 -6.634 -6.944 -3.855 253 HE1 PHE 26 1HE PHE 26 -10.213 -8.060 -7.038 254 HE2 PHE 26 2HE PHE 26 -8.746 -7.892 -3.037 255 HZ PHE 26 HZ PHE 26 -10.543 -8.454 -4.628 256 H GLU 27 H GLU 27 -5.168 -3.602 -4.693 257 HA GLU 27 HA GLU 27 -7.397 -3.520 -3.025 258 1HB GLU 27 2HB GLU 27 -4.760 -2.220 -3.216 259 2HB GLU 27 1HB GLU 27 -5.957 -1.329 -2.301 260 1HG GLU 27 2HG GLU 27 -4.938 -4.101 -1.791 261 2HG GLU 27 1HG GLU 27 -4.745 -2.668 -0.775 262 H GLU 28 H GLU 28 -6.470 -1.559 -5.743 263 HA GLU 28 HA GLU 28 -8.107 0.692 -5.195 264 1HB GLU 28 2HB GLU 28 -7.857 1.156 -7.640 265 2HB GLU 28 1HB GLU 28 -6.331 0.899 -6.807 266 1HG GLU 28 2HG GLU 28 -6.129 -1.300 -7.702 267 2HG GLU 28 1HG GLU 28 -7.761 -1.236 -8.367 268 H GLU 29 H GLU 29 -8.806 -2.473 -5.961 269 HA GLU 29 HA GLU 29 -11.457 -1.811 -7.050 270 1HB GLU 29 2HB GLU 29 -10.072 -4.498 -7.085 271 2HB GLU 29 1HB GLU 29 -11.535 -4.045 -7.952 272 1HG GLU 29 2HG GLU 29 -8.876 -2.738 -8.448 273 2HG GLU 29 1HG GLU 29 -9.411 -4.182 -9.304 274 H ARG 30 H ARG 30 -9.702 -3.275 -4.455 275 HA ARG 30 HA ARG 30 -12.003 -4.574 -3.285 276 1HB ARG 30 2HB ARG 30 -9.286 -4.958 -3.084 277 2HB ARG 30 1HB ARG 30 -9.668 -4.165 -1.560 278 1HG ARG 30 2HG ARG 30 -11.322 -6.470 -2.476 279 2HG ARG 30 1HG ARG 30 -9.743 -6.755 -1.743 280 1HD ARG 30 2HD ARG 30 -11.904 -5.087 -0.471 281 2HD ARG 30 1HD ARG 30 -11.680 -6.807 -0.150 282 HE ARG 30 HE ARG 30 -9.377 -6.139 0.616 283 1HH1 ARG 30 1HH1 ARG 30 -12.066 -3.926 0.728 284 2HH1 ARG 30 2HH1 ARG 30 -11.415 -2.999 2.038 285 1HH2 ARG 30 1HH2 ARG 30 -8.511 -4.924 2.339 286 2HH2 ARG 30 2HH2 ARG 30 -9.393 -3.566 2.954 287 H ALA 31 H ALA 31 -10.668 -1.467 -3.305 288 HA ALA 31 HA ALA 31 -12.100 -0.733 -0.841 289 1HB ALA 31 1HB ALA 31 -9.523 0.076 -1.935 290 2HB ALA 31 2HB ALA 31 -10.149 0.218 -0.294 291 3HB ALA 31 3HB ALA 31 -10.545 1.445 -1.496 292 H ARG 32 H ARG 32 -12.382 -0.758 -4.098 293 HA ARG 32 HA ARG 32 -13.782 1.806 -4.322 294 1HB ARG 32 2HB ARG 32 -12.171 0.437 -6.074 295 2HB ARG 32 1HB ARG 32 -13.772 -0.031 -6.621 296 1HG ARG 32 2HG ARG 32 -12.813 1.939 -7.788 297 2HG ARG 32 1HG ARG 32 -14.380 2.231 -7.034 298 1HD ARG 32 2HD ARG 32 -13.115 3.162 -5.056 299 2HD ARG 32 1HD ARG 32 -11.665 3.091 -6.060 300 HE ARG 32 HE ARG 32 -12.348 5.068 -6.941 301 1HH1 ARG 32 1HH1 ARG 32 -15.207 3.263 -6.069 302 2HH1 ARG 32 2HH1 ARG 32 -16.298 4.481 -6.637 303 1HH2 ARG 32 1HH2 ARG 32 -13.789 6.662 -7.685 304 2HH2 ARG 32 2HH2 ARG 32 -15.495 6.408 -7.554 305 H ALA 33 H ALA 33 -14.380 -1.617 -5.097 306 HA ALA 33 HA ALA 33 -17.073 -1.427 -5.631 307 1HB ALA 33 1HB ALA 33 -15.199 -3.527 -5.119 308 2HB ALA 33 2HB ALA 33 -16.695 -3.572 -6.053 309 3HB ALA 33 3HB ALA 33 -16.727 -3.890 -4.318 310 H LYS 34 H LYS 34 -15.551 -0.990 -2.579 311 HA LYS 34 HA LYS 34 -17.713 -1.841 -0.953 312 1HB LYS 34 2HB LYS 34 -16.415 0.300 0.376 313 2HB LYS 34 1HB LYS 34 -16.280 -1.418 0.697 314 1HG LYS 34 2HG LYS 34 -14.317 -1.618 -0.508 315 2HG LYS 34 1HG LYS 34 -14.603 -0.142 -1.437 316 1HD LYS 34 2HD LYS 34 -13.010 0.575 0.060 317 2HD LYS 34 1HD LYS 34 -14.495 1.005 0.912 318 1HE LYS 34 2HE LYS 34 -13.931 -0.301 2.619 319 2HE LYS 34 1HE LYS 34 -13.785 -1.692 1.546 320 1HZ LYS 34 1HZ LYS 34 -11.508 -0.524 0.996 321 2HZ LYS 34 2HZ LYS 34 -11.667 -1.570 2.315 322 3HZ LYS 34 3HZ LYS 34 -11.710 0.103 2.554 323 H TRP 35 H TRP 35 -16.645 1.479 -1.621 324 HA TRP 35 HA TRP 35 -19.231 2.537 -0.955 325 1HB TRP 35 2HB TRP 35 -18.162 4.704 -1.721 326 2HB TRP 35 1HB TRP 35 -17.364 3.900 -0.373 327 HD1 TRP 35 HD TRP 35 -16.980 3.278 -4.172 328 HE1 TRP 35 1HE TRP 35 -14.530 3.554 -4.760 329 HE3 TRP 35 3HE TRP 35 -15.168 4.624 0.408 330 HZ2 TRP 35 2HZ TRP 35 -12.095 4.239 -3.493 331 HZ3 TRP 35 3HZ TRP 35 -12.760 5.064 0.639 332 HH2 TRP 35 HH TRP 35 -11.255 4.870 -1.274 333 H ASP 36 H ASP 36 -17.860 1.159 -3.664 334 HA ASP 36 HA ASP 36 -19.667 2.569 -5.505 335 1HB ASP 36 2HB ASP 36 -16.923 1.875 -5.712 336 2HB ASP 36 1HB ASP 36 -17.799 0.854 -6.858 Start of MODEL 16 1 1H MET 1 1HT MET 1 13.856 -5.834 -2.826 2 2H MET 1 2HT MET 1 14.738 -6.140 -4.235 3 3H MET 1 3HT MET 1 13.620 -4.873 -4.197 4 HA MET 1 HA MET 1 16.168 -4.433 -3.919 5 1HB MET 1 2HB MET 1 14.086 -3.080 -2.202 6 2HB MET 1 1HB MET 1 15.594 -2.377 -2.772 7 1HG MET 1 2HG MET 1 13.412 -3.321 -4.611 8 2HG MET 1 1HG MET 1 13.527 -1.672 -3.999 9 1HE MET 1 1HE MET 1 16.488 -1.328 -3.738 10 2HE MET 1 2HE MET 1 15.862 -0.013 -4.736 11 3HE MET 1 3HE MET 1 17.264 -0.939 -5.275 12 H TRP 2 H TRP 2 15.009 -3.542 -0.854 13 HA TRP 2 HA TRP 2 16.905 -5.374 0.434 14 1HB TRP 2 2HB TRP 2 16.186 -3.075 1.999 15 2HB TRP 2 1HB TRP 2 17.779 -3.566 1.439 16 HD1 TRP 2 HD TRP 2 18.810 -2.109 -0.446 17 HE1 TRP 2 1HE TRP 2 17.994 -0.083 -1.815 18 HE3 TRP 2 3HE TRP 2 13.912 -2.134 0.918 19 HZ2 TRP 2 2HZ TRP 2 15.550 1.302 -2.194 20 HZ3 TRP 2 3HZ TRP 2 12.423 -0.423 0.036 21 HH2 TRP 2 HH TRP 2 13.232 1.262 -1.507 22 H LYS 3 H LYS 3 14.624 -3.313 2.152 23 HA LYS 3 HA LYS 3 13.454 -5.676 3.380 24 1HB LYS 3 2HB LYS 3 12.537 -4.273 5.000 25 2HB LYS 3 1HB LYS 3 14.135 -3.618 4.736 26 1HG LYS 3 2HG LYS 3 11.446 -2.519 4.007 27 2HG LYS 3 1HG LYS 3 12.700 -1.794 5.002 28 1HD LYS 3 2HD LYS 3 13.984 -1.200 3.132 29 2HD LYS 3 1HD LYS 3 13.115 -2.324 2.089 30 1HE LYS 3 2HE LYS 3 11.778 0.032 3.393 31 2HE LYS 3 1HE LYS 3 12.568 0.134 1.815 32 1HZ LYS 3 1HZ LYS 3 9.991 -0.611 2.259 33 2HZ LYS 3 2HZ LYS 3 10.777 -2.087 2.011 34 3HZ LYS 3 3HZ LYS 3 10.867 -0.875 0.836 35 H VAL 4 H VAL 4 12.903 -3.460 0.970 36 HA VAL 4 HA VAL 4 10.299 -2.998 0.762 37 HB VAL 4 HB VAL 4 12.258 -2.421 -0.833 38 1HG1 VAL 4 1HG1 VAL 4 11.992 -3.801 -2.987 39 2HG1 VAL 4 2HG1 VAL 4 11.247 -5.024 -1.953 40 3HG1 VAL 4 3HG1 VAL 4 12.913 -4.517 -1.664 41 1HG2 VAL 4 1HG2 VAL 4 9.624 -1.992 -0.952 42 2HG2 VAL 4 2HG2 VAL 4 9.831 -2.934 -2.429 43 3HG2 VAL 4 3HG2 VAL 4 10.749 -1.446 -2.194 44 H GLY 5 H GLY 5 11.919 -5.996 -0.229 45 1HA GLY 5 2HA GLY 5 10.049 -7.288 -1.617 46 2HA GLY 5 1HA GLY 5 11.010 -8.131 -0.409 47 H PHE 6 H PHE 6 9.941 -6.985 1.894 48 HA PHE 6 HA PHE 6 7.141 -7.803 1.677 49 1HB PHE 6 2HB PHE 6 7.405 -8.539 4.124 50 2HB PHE 6 1HB PHE 6 8.135 -9.564 2.890 51 HD1 PHE 6 1HD PHE 6 8.861 -6.959 5.415 52 HD2 PHE 6 2HD PHE 6 10.443 -9.999 2.889 53 HE1 PHE 6 1HE PHE 6 11.028 -6.782 6.565 54 HE2 PHE 6 2HE PHE 6 12.614 -9.826 4.037 55 HZ PHE 6 HZ PHE 6 12.907 -8.217 5.878 56 H PHE 7 H PHE 7 8.878 -5.179 1.891 57 HA PHE 7 HA PHE 7 7.448 -4.000 4.141 58 1HB PHE 7 2HB PHE 7 10.009 -3.722 3.460 59 2HB PHE 7 1HB PHE 7 9.322 -2.347 2.603 60 HD1 PHE 7 1HD PHE 7 9.866 -0.458 3.773 61 HD2 PHE 7 2HD PHE 7 8.433 -3.861 5.884 62 HE1 PHE 7 1HE PHE 7 9.808 0.862 5.838 63 HE2 PHE 7 2HE PHE 7 8.365 -2.548 7.960 64 HZ PHE 7 HZ PHE 7 9.041 -0.190 7.936 65 H LYS 8 H LYS 8 7.706 -3.732 0.666 66 HA LYS 8 HA LYS 8 6.266 -1.307 0.532 67 1HB LYS 8 2HB LYS 8 6.011 -1.928 -1.915 68 2HB LYS 8 1HB LYS 8 7.622 -1.723 -1.251 69 1HG LYS 8 2HG LYS 8 7.000 -3.716 -2.872 70 2HG LYS 8 1HG LYS 8 8.222 -3.838 -1.618 71 1HD LYS 8 2HD LYS 8 7.002 -5.790 -1.365 72 2HD LYS 8 1HD LYS 8 6.307 -4.723 -0.140 73 1HE LYS 8 2HE LYS 8 4.315 -4.831 -1.081 74 2HE LYS 8 1HE LYS 8 4.963 -4.370 -2.654 75 1HZ LYS 8 1HZ LYS 8 5.408 -6.614 -3.181 76 2HZ LYS 8 2HZ LYS 8 3.836 -6.591 -2.555 77 3HZ LYS 8 3HZ LYS 8 5.117 -7.134 -1.596 78 H ARG 9 H ARG 9 5.323 -4.375 1.303 79 HA ARG 9 HA ARG 9 2.532 -3.821 0.600 80 1HB ARG 9 2HB ARG 9 2.278 -6.009 0.077 81 2HB ARG 9 1HB ARG 9 4.020 -6.163 0.205 82 1HG ARG 9 2HG ARG 9 3.124 -6.372 2.823 83 2HG ARG 9 1HG ARG 9 1.946 -7.275 1.870 84 1HD ARG 9 2HD ARG 9 4.551 -7.888 0.905 85 2HD ARG 9 1HD ARG 9 4.554 -8.055 2.659 86 HE ARG 9 HE ARG 9 3.224 -9.742 0.766 87 1HH1 ARG 9 1HH1 ARG 9 3.139 -8.539 4.036 88 2HH1 ARG 9 2HH1 ARG 9 2.269 -9.904 4.650 89 1HH2 ARG 9 1HH2 ARG 9 2.078 -11.540 1.568 90 2HH2 ARG 9 2HH2 ARG 9 1.666 -11.609 3.249 91 H ASN 10 H ASN 10 4.764 -3.476 2.783 92 HA ASN 10 HA ASN 10 3.168 -4.005 5.174 93 1HB ASN 10 2HB ASN 10 5.943 -4.156 4.394 94 2HB ASN 10 1HB ASN 10 5.757 -3.170 5.829 95 1HD2 ASN 10 1HD2 ASN 10 6.167 -4.316 7.576 96 2HD2 ASN 10 2HD2 ASN 10 5.658 -5.939 7.873 97 H ARG 11 H ARG 11 5.803 -1.750 4.936 98 HA ARG 11 HA ARG 11 6.009 0.455 5.372 99 1HB ARG 11 2HB ARG 11 4.550 0.588 3.342 100 2HB ARG 11 1HB ARG 11 3.169 0.697 4.423 101 1HG ARG 11 2HG ARG 11 3.504 2.908 4.107 102 2HG ARG 11 1HG ARG 11 4.640 2.673 5.437 103 1HD ARG 11 2HD ARG 11 5.443 2.427 2.551 104 2HD ARG 11 1HD ARG 11 5.500 3.956 3.425 105 HE ARG 11 HE ARG 11 7.234 1.644 3.818 106 1HH1 ARG 11 1HH1 ARG 11 6.200 4.798 4.894 107 2HH1 ARG 11 2HH1 ARG 11 7.631 5.090 5.823 108 1HH2 ARG 11 1HH2 ARG 11 9.118 2.025 5.035 109 2HH2 ARG 11 2HH2 ARG 11 9.290 3.513 5.905 110 1H LYS 12 1HT LYS 12 15.505 4.533 -1.954 111 2H LYS 12 2HT LYS 12 16.607 3.259 -1.804 112 3H LYS 12 3HT LYS 12 16.778 4.641 -0.844 113 HA LYS 12 HA LYS 12 14.748 2.526 -0.680 114 1HB LYS 12 2HB LYS 12 16.916 2.311 0.529 115 2HB LYS 12 1HB LYS 12 16.483 3.749 1.450 116 1HG LYS 12 2HG LYS 12 14.260 2.274 1.816 117 2HG LYS 12 1HG LYS 12 15.471 0.994 1.659 118 1HD LYS 12 2HD LYS 12 16.827 2.170 3.370 119 2HD LYS 12 1HD LYS 12 15.491 3.294 3.604 120 1HE LYS 12 2HE LYS 12 14.704 0.487 3.721 121 2HE LYS 12 1HE LYS 12 15.865 0.943 4.969 122 1HZ LYS 12 1HZ LYS 12 13.155 1.372 5.016 123 2HZ LYS 12 2HZ LYS 12 13.813 2.896 4.694 124 3HZ LYS 12 3HZ LYS 12 14.299 2.039 6.069 125 H LEU 13 H LEU 13 14.862 5.823 -0.802 126 HA LEU 13 HA LEU 13 12.758 6.069 1.197 127 1HB LEU 13 2HB LEU 13 14.025 8.283 -0.414 128 2HB LEU 13 1HB LEU 13 13.033 8.451 1.024 129 HG LEU 13 HG LEU 13 15.081 8.737 1.980 130 1HD1 LEU 13 1HD1 LEU 13 14.836 5.717 1.884 131 2HD1 LEU 13 2HD1 LEU 13 14.212 6.815 3.125 132 3HD1 LEU 13 3HD1 LEU 13 15.953 6.606 2.931 133 1HD2 LEU 13 1HD2 LEU 13 16.052 7.207 -0.367 134 2HD2 LEU 13 2HD2 LEU 13 17.063 7.224 1.079 135 3HD2 LEU 13 3HD2 LEU 13 16.612 8.741 0.301 136 H LEU 14 H LEU 14 12.783 4.857 -1.583 137 HA LEU 14 HA LEU 14 10.790 6.368 -3.026 138 1HB LEU 14 2HB LEU 14 10.832 4.451 -4.579 139 2HB LEU 14 1HB LEU 14 12.434 5.101 -4.286 140 HG LEU 14 HG LEU 14 12.232 3.079 -2.395 141 1HD1 LEU 14 1HD1 LEU 14 11.231 1.217 -3.294 142 2HD1 LEU 14 2HD1 LEU 14 11.298 1.839 -4.942 143 3HD1 LEU 14 3HD1 LEU 14 10.115 2.484 -3.804 144 1HD2 LEU 14 1HD2 LEU 14 13.813 3.794 -4.608 145 2HD2 LEU 14 2HD2 LEU 14 13.391 2.095 -4.823 146 3HD2 LEU 14 3HD2 LEU 14 14.187 2.626 -3.341 147 H ILE 15 H ILE 15 10.980 4.142 -0.542 148 HA ILE 15 HA ILE 15 8.438 2.859 -0.902 149 HB ILE 15 HB ILE 15 10.532 2.844 1.267 150 1HG1 ILE 15 2HG1 ILE 15 10.927 1.627 -0.852 151 2HG1 ILE 15 1HG1 ILE 15 10.856 0.561 0.549 152 1HG2 ILE 15 1HG2 ILE 15 8.629 0.742 1.631 153 2HG2 ILE 15 2HG2 ILE 15 7.790 2.292 1.684 154 3HG2 ILE 15 3HG2 ILE 15 9.137 1.983 2.778 155 1HD1 ILE 15 1HD1 ILE 15 8.961 -0.446 -0.141 156 2HD1 ILE 15 2HD1 ILE 15 9.576 0.051 -1.719 157 3HD1 ILE 15 3HD1 ILE 15 8.334 1.009 -0.913 158 H THR 16 H THR 16 9.314 5.904 0.020 159 HA THR 16 HA THR 16 7.420 6.267 2.165 160 HB THR 16 HB THR 16 8.601 8.552 0.636 161 HG1 THR 16 1HG THR 16 9.994 6.619 2.064 162 1HG2 THR 16 1HG2 THR 16 8.651 8.335 3.588 163 2HG2 THR 16 2HG2 THR 16 7.095 8.609 2.806 164 3HG2 THR 16 3HG2 THR 16 8.421 9.745 2.555 165 H ILE 17 H ILE 17 7.483 6.724 -1.318 166 HA ILE 17 HA ILE 17 4.701 7.672 -1.153 167 HB ILE 17 HB ILE 17 6.735 9.136 -2.177 168 1HG1 ILE 17 2HG1 ILE 17 4.443 9.889 -1.659 169 2HG1 ILE 17 1HG1 ILE 17 5.016 10.527 -3.195 170 1HG2 ILE 17 1HG2 ILE 17 5.640 7.494 -4.429 171 2HG2 ILE 17 2HG2 ILE 17 7.316 7.894 -4.051 172 3HG2 ILE 17 3HG2 ILE 17 6.240 9.131 -4.701 173 1HD1 ILE 17 1HD1 ILE 17 3.698 8.119 -3.782 174 2HD1 ILE 17 2HD1 ILE 17 3.174 9.763 -4.143 175 3HD1 ILE 17 3HD1 ILE 17 2.679 8.991 -2.636 176 H HIS 18 H HIS 18 6.979 5.709 -3.050 177 HA HIS 18 HA HIS 18 5.046 4.777 -4.891 178 1HB HIS 18 2HB HIS 18 6.915 4.107 -5.888 179 2HB HIS 18 1HB HIS 18 7.844 4.412 -4.430 180 HD1 HIS 18 1HD HIS 18 7.890 2.280 -2.705 181 HD2 HIS 18 2HD HIS 18 6.813 1.523 -6.646 182 HE1 HIS 18 1HE HIS 18 8.240 -0.186 -3.036 183 HE2 HIS 18 2HE HIS 18 7.590 -0.623 -5.429 184 H ASP 19 H ASP 19 5.598 4.023 -1.635 185 HA ASP 19 HA ASP 19 4.576 1.340 -1.697 186 1HB ASP 19 2HB ASP 19 6.096 2.508 0.088 187 2HB ASP 19 1HB ASP 19 4.563 3.046 0.767 188 H ARG 20 H ARG 20 3.275 4.520 -1.565 189 HA ARG 20 HA ARG 20 0.745 3.869 -0.438 190 1HB ARG 20 2HB ARG 20 1.991 6.213 -1.702 191 2HB ARG 20 1HB ARG 20 0.242 6.130 -1.824 192 1HG ARG 20 2HG ARG 20 0.171 7.061 0.188 193 2HG ARG 20 1HG ARG 20 0.773 5.530 0.829 194 1HD ARG 20 2HD ARG 20 3.104 6.490 0.202 195 2HD ARG 20 1HD ARG 20 2.270 8.043 0.199 196 HE ARG 20 HE ARG 20 2.760 6.326 2.508 197 1HH1 ARG 20 1HH1 ARG 20 1.369 9.236 1.192 198 2HH1 ARG 20 2HH1 ARG 20 1.184 9.999 2.735 199 1HH2 ARG 20 1HH2 ARG 20 2.518 7.320 4.543 200 2HH2 ARG 20 2HH2 ARG 20 1.837 8.908 4.641 201 H LYS 21 H LYS 21 2.159 3.227 -3.383 202 HA LYS 21 HA LYS 21 -0.443 2.914 -4.729 203 1HB LYS 21 2HB LYS 21 1.755 2.644 -6.541 204 2HB LYS 21 1HB LYS 21 0.468 3.842 -6.544 205 1HG LYS 21 2HG LYS 21 1.727 5.403 -5.457 206 2HG LYS 21 1HG LYS 21 2.742 4.198 -4.662 207 1HD LYS 21 2HD LYS 21 4.285 4.580 -6.220 208 2HD LYS 21 1HD LYS 21 3.192 3.841 -7.392 209 1HE LYS 21 2HE LYS 21 2.619 5.821 -8.303 210 2HE LYS 21 1HE LYS 21 2.608 6.649 -6.747 211 1HZ LYS 21 1HZ LYS 21 5.051 6.677 -6.832 212 2HZ LYS 21 2HZ LYS 21 4.354 7.523 -8.120 213 3HZ LYS 21 3HZ LYS 21 5.001 5.982 -8.375 214 H GLU 22 H GLU 22 2.462 1.399 -3.657 215 HA GLU 22 HA GLU 22 2.339 -0.982 -5.146 216 1HB GLU 22 2HB GLU 22 3.733 0.011 -2.729 217 2HB GLU 22 1HB GLU 22 3.634 -1.731 -2.921 218 1HG GLU 22 2HG GLU 22 4.543 -0.074 -5.211 219 2HG GLU 22 1HG GLU 22 5.649 -0.365 -3.863 220 H PHE 23 H PHE 23 0.297 0.214 -2.786 221 HA PHE 23 HA PHE 23 -0.479 -2.422 -1.788 222 1HB PHE 23 2HB PHE 23 -0.249 -0.789 -0.056 223 2HB PHE 23 1HB PHE 23 -1.213 0.383 -0.946 224 HD1 PHE 23 1HD PHE 23 -3.509 0.535 -0.601 225 HD2 PHE 23 2HD PHE 23 -1.407 -2.907 0.761 226 HE1 PHE 23 1HE PHE 23 -5.527 -0.223 0.587 227 HE2 PHE 23 2HE PHE 23 -3.422 -3.671 1.949 228 HZ PHE 23 HZ PHE 23 -5.485 -2.328 1.863 229 H ALA 24 H ALA 24 -1.848 0.381 -3.484 230 HA ALA 24 HA ALA 24 -4.337 -1.045 -3.933 231 1HB ALA 24 1HB ALA 24 -4.745 1.211 -3.580 232 2HB ALA 24 2HB ALA 24 -4.807 1.087 -5.338 233 3HB ALA 24 3HB ALA 24 -3.362 1.720 -4.549 234 H LYS 25 H LYS 25 -2.394 -2.518 -4.927 235 HA LYS 25 HA LYS 25 -1.878 -2.057 -7.711 236 1HB LYS 25 2HB LYS 25 -1.127 -4.503 -7.549 237 2HB LYS 25 1HB LYS 25 -0.271 -3.357 -6.523 238 1HG LYS 25 2HG LYS 25 -2.211 -4.093 -4.815 239 2HG LYS 25 1HG LYS 25 -2.103 -5.563 -5.792 240 1HD LYS 25 2HD LYS 25 0.088 -4.243 -4.203 241 2HD LYS 25 1HD LYS 25 -0.646 -5.824 -3.929 242 1HE LYS 25 2HE LYS 25 0.253 -6.562 -6.125 243 2HE LYS 25 1HE LYS 25 1.081 -5.012 -6.268 244 1HZ LYS 25 1HZ LYS 25 2.469 -5.515 -4.470 245 2HZ LYS 25 2HZ LYS 25 2.415 -6.946 -5.370 246 3HZ LYS 25 3HZ LYS 25 1.504 -6.804 -3.951 247 H PHE 26 H PHE 26 -3.701 -4.396 -5.867 248 HA PHE 26 HA PHE 26 -5.665 -4.717 -8.020 249 1HB PHE 26 2HB PHE 26 -4.997 -6.866 -8.019 250 2HB PHE 26 1HB PHE 26 -3.967 -6.582 -6.631 251 HD1 PHE 26 1HD PHE 26 -7.288 -7.708 -7.715 252 HD2 PHE 26 2HD PHE 26 -4.635 -7.168 -4.434 253 HE1 PHE 26 1HE PHE 26 -8.729 -9.132 -6.318 254 HE2 PHE 26 2HE PHE 26 -6.067 -8.586 -3.031 255 HZ PHE 26 HZ PHE 26 -8.120 -9.575 -3.972 256 H GLU 27 H GLU 27 -4.901 -3.766 -4.940 257 HA GLU 27 HA GLU 27 -7.157 -4.370 -3.408 258 1HB GLU 27 2HB GLU 27 -4.904 -2.436 -3.310 259 2HB GLU 27 1HB GLU 27 -6.288 -2.083 -2.303 260 1HG GLU 27 2HG GLU 27 -4.411 -4.399 -2.179 261 2HG GLU 27 1HG GLU 27 -4.871 -3.265 -0.905 262 H GLU 28 H GLU 28 -6.582 -2.023 -5.885 263 HA GLU 28 HA GLU 28 -8.837 -0.351 -5.204 264 1HB GLU 28 2HB GLU 28 -8.323 0.777 -7.358 265 2HB GLU 28 1HB GLU 28 -6.937 0.687 -6.279 266 1HG GLU 28 2HG GLU 28 -6.187 -1.328 -7.565 267 2HG GLU 28 1HG GLU 28 -7.473 -0.982 -8.722 268 H GLU 29 H GLU 29 -8.640 -3.364 -6.339 269 HA GLU 29 HA GLU 29 -11.025 -3.093 -8.046 270 1HB GLU 29 2HB GLU 29 -9.124 -5.420 -8.199 271 2HB GLU 29 1HB GLU 29 -10.307 -4.891 -9.387 272 1HG GLU 29 2HG GLU 29 -8.222 -2.925 -8.780 273 2HG GLU 29 1HG GLU 29 -7.646 -4.416 -9.527 274 H ARG 30 H ARG 30 -9.519 -4.607 -5.341 275 HA ARG 30 HA ARG 30 -11.670 -6.546 -5.005 276 1HB ARG 30 2HB ARG 30 -9.777 -7.650 -4.393 277 2HB ARG 30 1HB ARG 30 -8.939 -6.177 -3.933 278 1HG ARG 30 2HG ARG 30 -9.220 -6.796 -1.823 279 2HG ARG 30 1HG ARG 30 -10.940 -6.463 -2.027 280 1HD ARG 30 2HD ARG 30 -11.390 -8.734 -2.598 281 2HD ARG 30 1HD ARG 30 -9.668 -9.108 -2.697 282 HE ARG 30 HE ARG 30 -9.815 -8.388 -0.172 283 1HH1 ARG 30 1HH1 ARG 30 -12.031 -10.356 -2.009 284 2HH1 ARG 30 2HH1 ARG 30 -12.563 -11.264 -0.634 285 1HH2 ARG 30 1HH2 ARG 30 -10.514 -9.571 1.639 286 2HH2 ARG 30 2HH2 ARG 30 -11.701 -10.819 1.441 287 H ALA 31 H ALA 31 -10.133 -3.971 -3.081 288 HA ALA 31 HA ALA 31 -12.284 -3.924 -1.184 289 1HB ALA 31 1HB ALA 31 -9.932 -2.078 -1.562 290 2HB ALA 31 2HB ALA 31 -10.051 -3.424 -0.428 291 3HB ALA 31 3HB ALA 31 -11.071 -1.999 -0.219 292 H ARG 32 H ARG 32 -12.342 -3.073 -4.232 293 HA ARG 32 HA ARG 32 -13.860 -0.581 -3.823 294 1HB ARG 32 2HB ARG 32 -11.799 -1.089 -5.596 295 2HB ARG 32 1HB ARG 32 -13.236 -1.288 -6.587 296 1HG ARG 32 2HG ARG 32 -12.276 1.002 -6.615 297 2HG ARG 32 1HG ARG 32 -13.965 0.930 -6.107 298 1HD ARG 32 2HD ARG 32 -12.808 0.733 -3.715 299 2HD ARG 32 1HD ARG 32 -11.532 1.616 -4.556 300 HE ARG 32 HE ARG 32 -14.312 2.561 -4.273 301 1HH1 ARG 32 1HH1 ARG 32 -10.896 3.158 -4.626 302 2HH1 ARG 32 2HH1 ARG 32 -11.055 4.878 -4.496 303 1HH2 ARG 32 1HH2 ARG 32 -14.529 4.816 -4.103 304 2HH2 ARG 32 2HH2 ARG 32 -13.122 5.822 -4.199 305 H ALA 33 H ALA 33 -13.823 -3.329 -6.085 306 HA ALA 33 HA ALA 33 -16.402 -3.172 -6.984 307 1HB ALA 33 1HB ALA 33 -14.316 -5.088 -7.038 308 2HB ALA 33 2HB ALA 33 -15.719 -4.964 -8.102 309 3HB ALA 33 3HB ALA 33 -15.812 -5.932 -6.629 310 H LYS 34 H LYS 34 -15.318 -4.115 -3.841 311 HA LYS 34 HA LYS 34 -17.416 -5.682 -2.921 312 1HB LYS 34 2HB LYS 34 -16.932 -4.533 -0.676 313 2HB LYS 34 1HB LYS 34 -15.609 -5.412 -1.433 314 1HG LYS 34 2HG LYS 34 -14.576 -3.387 -2.140 315 2HG LYS 34 1HG LYS 34 -16.002 -2.446 -1.712 316 1HD LYS 34 2HD LYS 34 -14.155 -2.235 -0.072 317 2HD LYS 34 1HD LYS 34 -15.649 -2.858 0.629 318 1HE LYS 34 2HE LYS 34 -14.507 -5.181 0.029 319 2HE LYS 34 1HE LYS 34 -13.042 -4.210 0.175 320 1HZ LYS 34 1HZ LYS 34 -13.277 -4.043 2.383 321 2HZ LYS 34 2HZ LYS 34 -14.273 -5.400 2.231 322 3HZ LYS 34 3HZ LYS 34 -14.957 -3.855 2.314 323 H TRP 35 H TRP 35 -17.055 -2.172 -2.653 324 HA TRP 35 HA TRP 35 -19.925 -1.888 -2.212 325 1HB TRP 35 2HB TRP 35 -19.298 0.485 -1.693 326 2HB TRP 35 1HB TRP 35 -18.581 -0.700 -0.613 327 HD1 TRP 35 HD TRP 35 -17.382 0.619 -4.056 328 HE1 TRP 35 1HE TRP 35 -15.016 1.488 -3.771 329 HE3 TRP 35 3HE TRP 35 -16.803 -0.189 0.953 330 HZ2 TRP 35 2HZ TRP 35 -13.096 1.810 -1.713 331 HZ3 TRP 35 3HZ TRP 35 -14.667 0.416 2.000 332 HH2 TRP 35 HH TRP 35 -12.849 1.399 0.697 333 H ASP 36 H ASP 36 -17.853 -2.072 -4.683 334 HA ASP 36 HA ASP 36 -19.324 -0.141 -6.354 335 1HB ASP 36 2HB ASP 36 -16.514 -0.546 -5.976 336 2HB ASP 36 1HB ASP 36 -16.922 -0.971 -7.641 Start of MODEL 17 1 1H MET 1 1HT MET 1 14.626 -4.704 -2.823 2 2H MET 1 2HT MET 1 15.509 -5.800 -1.885 3 3H MET 1 3HT MET 1 16.054 -5.377 -3.430 4 HA MET 1 HA MET 1 17.231 -3.727 -2.603 5 1HB MET 1 2HB MET 1 14.636 -2.798 -1.364 6 2HB MET 1 1HB MET 1 16.066 -1.811 -1.625 7 1HG MET 1 2HG MET 1 14.510 -3.128 -3.833 8 2HG MET 1 1HG MET 1 14.248 -1.475 -3.286 9 1HE MET 1 1HE MET 1 16.880 -0.619 -2.442 10 2HE MET 1 2HE MET 1 16.516 0.548 -3.713 11 3HE MET 1 3HE MET 1 18.063 -0.300 -3.712 12 H TRP 2 H TRP 2 15.376 -3.049 0.180 13 HA TRP 2 HA TRP 2 17.330 -4.441 1.874 14 1HB TRP 2 2HB TRP 2 16.031 -2.239 3.160 15 2HB TRP 2 1HB TRP 2 17.745 -2.450 2.830 16 HD1 TRP 2 HD TRP 2 18.750 -0.936 0.969 17 HE1 TRP 2 1HE TRP 2 17.785 0.858 -0.606 18 HE3 TRP 2 3HE TRP 2 13.756 -1.705 1.784 19 HZ2 TRP 2 2HZ TRP 2 15.230 1.803 -1.352 20 HZ3 TRP 2 3HZ TRP 2 12.149 -0.292 0.586 21 HH2 TRP 2 HH TRP 2 12.884 1.419 -0.952 22 H LYS 3 H LYS 3 14.517 -2.693 2.996 23 HA LYS 3 HA LYS 3 13.467 -5.091 4.274 24 1HB LYS 3 2HB LYS 3 12.056 -3.613 5.509 25 2HB LYS 3 1HB LYS 3 13.638 -2.846 5.465 26 1HG LYS 3 2HG LYS 3 11.778 -2.091 3.306 27 2HG LYS 3 1HG LYS 3 11.311 -1.592 4.930 28 1HD LYS 3 2HD LYS 3 13.393 -0.409 5.217 29 2HD LYS 3 1HD LYS 3 13.992 -1.030 3.681 30 1HE LYS 3 2HE LYS 3 13.282 1.233 3.374 31 2HE LYS 3 1HE LYS 3 12.185 0.152 2.505 32 1HZ LYS 3 1HZ LYS 3 11.592 2.049 4.505 33 2HZ LYS 3 2HZ LYS 3 11.166 0.516 5.079 34 3HZ LYS 3 3HZ LYS 3 10.523 1.081 3.620 35 H VAL 4 H VAL 4 13.029 -3.044 1.640 36 HA VAL 4 HA VAL 4 10.477 -3.011 0.960 37 HB VAL 4 HB VAL 4 12.652 -2.299 -0.323 38 1HG1 VAL 4 1HG1 VAL 4 13.500 -4.370 -1.041 39 2HG1 VAL 4 2HG1 VAL 4 12.763 -3.658 -2.477 40 3HG1 VAL 4 3HG1 VAL 4 11.915 -4.925 -1.585 41 1HG2 VAL 4 1HG2 VAL 4 10.482 -2.900 -2.218 42 2HG2 VAL 4 2HG2 VAL 4 11.280 -1.373 -1.841 43 3HG2 VAL 4 3HG2 VAL 4 10.028 -2.002 -0.770 44 H GLY 5 H GLY 5 12.626 -5.773 0.216 45 1HA GLY 5 2HA GLY 5 11.097 -7.343 -1.250 46 2HA GLY 5 1HA GLY 5 12.010 -8.031 0.091 47 H PHE 6 H PHE 6 10.471 -6.860 2.184 48 HA PHE 6 HA PHE 6 7.875 -8.104 1.688 49 1HB PHE 6 2HB PHE 6 7.799 -8.951 3.948 50 2HB PHE 6 1HB PHE 6 9.301 -9.488 3.201 51 HD1 PHE 6 1HD PHE 6 11.414 -8.151 3.710 52 HD2 PHE 6 2HD PHE 6 7.822 -7.800 5.966 53 HE1 PHE 6 1HE PHE 6 12.689 -7.192 5.584 54 HE2 PHE 6 2HE PHE 6 9.090 -6.840 7.843 55 HZ PHE 6 HZ PHE 6 11.527 -6.534 7.653 56 H PHE 7 H PHE 7 9.232 -5.267 1.954 57 HA PHE 7 HA PHE 7 7.381 -4.131 3.837 58 1HB PHE 7 2HB PHE 7 9.948 -3.550 3.470 59 2HB PHE 7 1HB PHE 7 9.226 -2.384 2.368 60 HD1 PHE 7 1HD PHE 7 9.445 -0.341 3.360 61 HD2 PHE 7 2HD PHE 7 8.009 -3.614 5.657 62 HE1 PHE 7 1HE PHE 7 8.974 1.189 5.229 63 HE2 PHE 7 2HE PHE 7 7.520 -2.098 7.532 64 HZ PHE 7 HZ PHE 7 8.003 0.308 7.321 65 H LYS 8 H LYS 8 8.337 -3.448 0.575 66 HA LYS 8 HA LYS 8 6.545 -1.509 -0.063 67 1HB LYS 8 2HB LYS 8 6.688 -2.774 -2.398 68 2HB LYS 8 1HB LYS 8 8.070 -1.928 -1.683 69 1HG LYS 8 2HG LYS 8 8.798 -4.048 -2.430 70 2HG LYS 8 1HG LYS 8 8.841 -3.989 -0.700 71 1HD LYS 8 2HD LYS 8 7.983 -6.130 -1.692 72 2HD LYS 8 1HD LYS 8 6.950 -5.362 -0.492 73 1HE LYS 8 2HE LYS 8 5.293 -5.242 -1.917 74 2HE LYS 8 1HE LYS 8 6.283 -4.345 -3.069 75 1HZ LYS 8 1HZ LYS 8 6.195 -6.115 -4.382 76 2HZ LYS 8 2HZ LYS 8 5.401 -7.033 -3.204 77 3HZ LYS 8 3HZ LYS 8 7.091 -6.984 -3.241 78 H ARG 9 H ARG 9 5.950 -4.772 0.674 79 HA ARG 9 HA ARG 9 3.239 -4.858 -0.413 80 1HB ARG 9 2HB ARG 9 5.075 -6.781 0.977 81 2HB ARG 9 1HB ARG 9 3.344 -7.085 0.991 82 1HG ARG 9 2HG ARG 9 3.372 -7.862 -1.088 83 2HG ARG 9 1HG ARG 9 4.357 -6.514 -1.668 84 1HD ARG 9 2HD ARG 9 6.083 -7.913 -1.805 85 2HD ARG 9 1HD ARG 9 6.047 -8.038 -0.046 86 HE ARG 9 HE ARG 9 4.877 -9.936 -1.950 87 1HH1 ARG 9 1HH1 ARG 9 5.624 -9.036 1.334 88 2HH1 ARG 9 2HH1 ARG 9 5.331 -10.620 1.971 89 1HH2 ARG 9 1HH2 ARG 9 4.494 -12.025 -1.120 90 2HH2 ARG 9 2HH2 ARG 9 4.688 -12.319 0.575 91 H ASN 10 H ASN 10 4.980 -5.080 2.623 92 HA ASN 10 HA ASN 10 2.756 -5.025 4.357 93 1HB ASN 10 2HB ASN 10 4.742 -5.990 5.175 94 2HB ASN 10 1HB ASN 10 5.713 -4.599 4.688 95 1HD2 ASN 10 1HD2 ASN 10 6.562 -4.049 6.618 96 2HD2 ASN 10 2HD2 ASN 10 5.638 -3.554 7.991 97 H ARG 11 H ARG 11 5.332 -2.620 4.509 98 HA ARG 11 HA ARG 11 5.330 -0.374 4.805 99 1HB ARG 11 2HB ARG 11 4.295 -0.256 2.618 100 2HB ARG 11 1HB ARG 11 2.715 -0.550 3.326 101 1HG ARG 11 2HG ARG 11 2.479 1.662 3.342 102 2HG ARG 11 1HG ARG 11 3.588 1.646 4.715 103 1HD ARG 11 2HD ARG 11 4.499 1.820 1.852 104 2HD ARG 11 1HD ARG 11 4.170 3.237 2.847 105 HE ARG 11 HE ARG 11 6.330 1.286 3.287 106 1HH1 ARG 11 1HH1 ARG 11 4.824 4.361 3.943 107 2HH1 ARG 11 2HH1 ARG 11 6.196 5.000 4.785 108 1HH2 ARG 11 1HH2 ARG 11 8.148 2.129 4.381 109 2HH2 ARG 11 2HH2 ARG 11 8.085 3.731 5.034 110 1H LYS 12 1HT LYS 12 17.339 4.664 0.344 111 2H LYS 12 2HT LYS 12 16.033 5.479 -0.357 112 3H LYS 12 3HT LYS 12 16.580 4.024 -1.025 113 HA LYS 12 HA LYS 12 15.148 2.934 0.182 114 1HB LYS 12 2HB LYS 12 17.168 2.873 1.689 115 2HB LYS 12 1HB LYS 12 16.378 4.122 2.650 116 1HG LYS 12 2HG LYS 12 14.369 2.354 2.486 117 2HG LYS 12 1HG LYS 12 15.747 1.252 2.382 118 1HD LYS 12 2HD LYS 12 15.092 1.476 4.668 119 2HD LYS 12 1HD LYS 12 16.645 2.287 4.462 120 1HE LYS 12 2HE LYS 12 14.077 3.787 4.230 121 2HE LYS 12 1HE LYS 12 14.750 3.431 5.819 122 1HZ LYS 12 1HZ LYS 12 15.726 5.249 3.756 123 2HZ LYS 12 2HZ LYS 12 16.893 4.423 4.660 124 3HZ LYS 12 3HZ LYS 12 15.760 5.406 5.440 125 H LEU 13 H LEU 13 14.687 6.035 -0.166 126 HA LEU 13 HA LEU 13 12.396 6.018 1.667 127 1HB LEU 13 2HB LEU 13 13.950 8.362 0.581 128 2HB LEU 13 1HB LEU 13 12.440 8.517 1.462 129 HG LEU 13 HG LEU 13 13.818 8.793 3.235 130 1HD1 LEU 13 1HD1 LEU 13 13.996 5.779 2.959 131 2HD1 LEU 13 2HD1 LEU 13 12.703 6.694 3.748 132 3HD1 LEU 13 3HD1 LEU 13 14.329 6.707 4.429 133 1HD2 LEU 13 1HD2 LEU 13 15.775 8.032 1.346 134 2HD2 LEU 13 2HD2 LEU 13 16.070 7.104 2.816 135 3HD2 LEU 13 3HD2 LEU 13 16.003 8.864 2.885 136 H LEU 14 H LEU 14 12.662 4.860 -0.987 137 HA LEU 14 HA LEU 14 10.888 6.458 -2.660 138 1HB LEU 14 2HB LEU 14 11.142 4.517 -4.236 139 2HB LEU 14 1HB LEU 14 12.634 5.352 -3.852 140 HG LEU 14 HG LEU 14 12.283 3.175 -2.007 141 1HD1 LEU 14 1HD1 LEU 14 11.157 1.740 -3.323 142 2HD1 LEU 14 2HD1 LEU 14 12.723 1.536 -4.109 143 3HD1 LEU 14 3HD1 LEU 14 11.527 2.634 -4.798 144 1HD2 LEU 14 1HD2 LEU 14 14.272 3.341 -4.248 145 2HD2 LEU 14 2HD2 LEU 14 14.473 2.657 -2.634 146 3HD2 LEU 14 3HD2 LEU 14 14.369 4.404 -2.845 147 H ILE 15 H ILE 15 10.724 4.334 -0.151 148 HA ILE 15 HA ILE 15 8.334 2.907 -0.924 149 HB ILE 15 HB ILE 15 9.789 3.018 1.726 150 1HG1 ILE 15 2HG1 ILE 15 11.149 2.172 -0.157 151 2HG1 ILE 15 1HG1 ILE 15 10.830 0.942 1.061 152 1HG2 ILE 15 1HG2 ILE 15 8.214 0.635 1.051 153 2HG2 ILE 15 2HG2 ILE 15 7.257 2.097 1.317 154 3HG2 ILE 15 3HG2 ILE 15 8.347 1.516 2.576 155 1HD1 ILE 15 1HD1 ILE 15 9.503 -0.282 -0.322 156 2HD1 ILE 15 2HD1 ILE 15 10.604 0.433 -1.504 157 3HD1 ILE 15 3HD1 ILE 15 8.998 1.122 -1.265 158 H THR 16 H THR 16 8.027 5.694 -1.027 159 HA THR 16 HA THR 16 6.212 6.203 1.236 160 HB THR 16 HB THR 16 6.663 8.633 -0.087 161 HG1 THR 16 1HG THR 16 9.173 7.518 0.502 162 1HG2 THR 16 1HG2 THR 16 6.938 9.309 1.995 163 2HG2 THR 16 2HG2 THR 16 8.426 8.374 2.146 164 3HG2 THR 16 3HG2 THR 16 6.873 7.624 2.513 165 H ILE 17 H ILE 17 6.654 7.141 -2.179 166 HA ILE 17 HA ILE 17 3.742 7.223 -2.486 167 HB ILE 17 HB ILE 17 5.096 9.167 -3.276 168 1HG1 ILE 17 2HG1 ILE 17 3.932 9.409 -5.418 169 2HG1 ILE 17 1HG1 ILE 17 3.638 7.675 -5.472 170 1HG2 ILE 17 1HG2 ILE 17 6.289 7.021 -4.948 171 2HG2 ILE 17 2HG2 ILE 17 7.076 8.371 -4.126 172 3HG2 ILE 17 3HG2 ILE 17 6.168 8.650 -5.615 173 1HD1 ILE 17 1HD1 ILE 17 1.896 7.799 -4.060 174 2HD1 ILE 17 2HD1 ILE 17 1.852 9.477 -4.600 175 3HD1 ILE 17 3HD1 ILE 17 2.640 9.060 -3.078 176 H HIS 18 H HIS 18 6.622 5.572 -3.655 177 HA HIS 18 HA HIS 18 5.401 4.158 -5.772 178 1HB HIS 18 2HB HIS 18 7.615 3.815 -6.038 179 2HB HIS 18 1HB HIS 18 7.953 4.081 -4.334 180 HD1 HIS 18 1HD HIS 18 7.675 1.938 -2.763 181 HD2 HIS 18 2HD HIS 18 7.659 1.203 -6.853 182 HE1 HIS 18 1HE HIS 18 8.097 -0.530 -3.004 183 HE2 HIS 18 2HE HIS 18 8.104 -0.949 -5.489 184 H ASP 19 H ASP 19 5.621 3.659 -2.334 185 HA ASP 19 HA ASP 19 4.547 1.004 -2.368 186 1HB ASP 19 2HB ASP 19 5.629 2.820 -0.410 187 2HB ASP 19 1HB ASP 19 4.111 2.139 0.170 188 H ARG 20 H ARG 20 3.324 4.159 -2.598 189 HA ARG 20 HA ARG 20 0.727 3.738 -1.517 190 1HB ARG 20 2HB ARG 20 2.194 5.899 -2.642 191 2HB ARG 20 1HB ARG 20 0.698 5.745 -3.555 192 1HG ARG 20 2HG ARG 20 -0.237 6.971 -1.955 193 2HG ARG 20 1HG ARG 20 -0.156 5.522 -0.953 194 1HD ARG 20 2HD ARG 20 2.131 6.260 -0.236 195 2HD ARG 20 1HD ARG 20 1.836 7.778 -1.082 196 HE ARG 20 HE ARG 20 0.132 8.283 0.503 197 1HH1 ARG 20 1HH1 ARG 20 1.981 5.423 1.251 198 2HH1 ARG 20 2HH1 ARG 20 1.522 5.408 2.920 199 1HH2 ARG 20 1HH2 ARG 20 -0.475 8.270 2.700 200 2HH2 ARG 20 2HH2 ARG 20 0.127 7.025 3.744 201 H LYS 21 H LYS 21 2.269 2.626 -4.255 202 HA LYS 21 HA LYS 21 -0.280 2.099 -5.630 203 1HB LYS 21 2HB LYS 21 2.003 1.659 -7.325 204 2HB LYS 21 1HB LYS 21 0.642 2.750 -7.559 205 1HG LYS 21 2HG LYS 21 1.754 4.548 -6.713 206 2HG LYS 21 1HG LYS 21 2.788 3.564 -5.675 207 1HD LYS 21 2HD LYS 21 4.338 4.095 -7.244 208 2HD LYS 21 1HD LYS 21 3.633 2.698 -8.061 209 1HE LYS 21 2HE LYS 21 2.027 4.377 -9.138 210 2HE LYS 21 1HE LYS 21 3.146 5.617 -8.576 211 1HZ LYS 21 1HZ LYS 21 3.628 4.962 -10.846 212 2HZ LYS 21 2HZ LYS 21 3.830 3.352 -10.372 213 3HZ LYS 21 3HZ LYS 21 4.911 4.533 -9.828 214 H GLU 22 H GLU 22 2.767 0.808 -4.507 215 HA GLU 22 HA GLU 22 2.568 -1.779 -5.584 216 1HB GLU 22 2HB GLU 22 4.124 -0.415 -3.473 217 2HB GLU 22 1HB GLU 22 3.981 -2.154 -3.307 218 1HG GLU 22 2HG GLU 22 4.797 -1.016 -5.930 219 2HG GLU 22 1HG GLU 22 5.967 -1.061 -4.604 220 H PHE 23 H PHE 23 0.707 -0.201 -3.296 221 HA PHE 23 HA PHE 23 -0.183 -2.724 -2.068 222 1HB PHE 23 2HB PHE 23 0.736 -0.972 -0.526 223 2HB PHE 23 1HB PHE 23 -0.588 0.079 -1.009 224 HD1 PHE 23 1HD PHE 23 0.254 -3.071 0.713 225 HD2 PHE 23 2HD PHE 23 -2.754 -0.170 -0.095 226 HE1 PHE 23 1HE PHE 23 -1.169 -4.066 2.457 227 HE2 PHE 23 2HE PHE 23 -4.182 -1.158 1.649 228 HZ PHE 23 HZ PHE 23 -3.389 -3.109 2.927 229 H ALA 24 H ALA 24 -1.364 0.419 -3.255 230 HA ALA 24 HA ALA 24 -4.091 -0.514 -3.306 231 1HB ALA 24 1HB ALA 24 -4.178 1.703 -2.890 232 2HB ALA 24 2HB ALA 24 -4.239 1.793 -4.651 233 3HB ALA 24 3HB ALA 24 -2.711 2.050 -3.808 234 H LYS 25 H LYS 25 -2.498 -2.162 -4.817 235 HA LYS 25 HA LYS 25 -2.605 -1.575 -7.611 236 1HB LYS 25 2HB LYS 25 -2.460 -4.250 -7.577 237 2HB LYS 25 1HB LYS 25 -1.064 -3.242 -7.216 238 1HG LYS 25 2HG LYS 25 -0.884 -4.259 -5.254 239 2HG LYS 25 1HG LYS 25 -2.444 -3.566 -4.783 240 1HD LYS 25 2HD LYS 25 -2.681 -5.882 -4.473 241 2HD LYS 25 1HD LYS 25 -3.501 -5.539 -5.997 242 1HE LYS 25 2HE LYS 25 -0.639 -6.215 -6.203 243 2HE LYS 25 1HE LYS 25 -1.693 -7.519 -5.657 244 1HZ LYS 25 1HZ LYS 25 -1.464 -7.535 -8.052 245 2HZ LYS 25 2HZ LYS 25 -2.029 -5.945 -8.154 246 3HZ LYS 25 3HZ LYS 25 -3.061 -7.177 -7.626 247 H PHE 26 H PHE 26 -4.325 -3.825 -5.551 248 HA PHE 26 HA PHE 26 -6.743 -3.602 -7.218 249 1HB PHE 26 2HB PHE 26 -6.057 -5.838 -7.456 250 2HB PHE 26 1HB PHE 26 -5.439 -5.902 -5.809 251 HD1 PHE 26 1HD PHE 26 -6.727 -6.776 -4.082 252 HD2 PHE 26 2HD PHE 26 -8.575 -5.776 -7.782 253 HE1 PHE 26 1HE PHE 26 -8.801 -7.865 -3.334 254 HE2 PHE 26 2HE PHE 26 -10.654 -6.864 -7.041 255 HZ PHE 26 HZ PHE 26 -10.770 -7.911 -4.815 256 H GLU 27 H GLU 27 -5.187 -3.103 -4.321 257 HA GLU 27 HA GLU 27 -7.148 -3.404 -2.368 258 1HB GLU 27 2HB GLU 27 -4.602 -1.928 -2.686 259 2HB GLU 27 1HB GLU 27 -5.666 -1.365 -1.418 260 1HG GLU 27 2HG GLU 27 -4.325 -4.014 -1.707 261 2HG GLU 27 1HG GLU 27 -4.265 -2.875 -0.356 262 H GLU 28 H GLU 28 -6.516 -0.825 -4.663 263 HA GLU 28 HA GLU 28 -8.121 1.173 -3.504 264 1HB GLU 28 2HB GLU 28 -8.146 2.190 -5.743 265 2HB GLU 28 1HB GLU 28 -6.531 1.663 -5.292 266 1HG GLU 28 2HG GLU 28 -6.656 -0.227 -6.722 267 2HG GLU 28 1HG GLU 28 -8.374 0.035 -7.016 268 H GLU 29 H GLU 29 -8.917 -1.786 -4.869 269 HA GLU 29 HA GLU 29 -11.682 -0.965 -5.438 270 1HB GLU 29 2HB GLU 29 -10.467 -3.630 -6.145 271 2HB GLU 29 1HB GLU 29 -11.886 -2.856 -6.842 272 1HG GLU 29 2HG GLU 29 -9.298 -1.452 -7.123 273 2HG GLU 29 1HG GLU 29 -9.529 -2.924 -8.065 274 H ARG 30 H ARG 30 -9.652 -2.799 -3.354 275 HA ARG 30 HA ARG 30 -11.844 -4.328 -2.208 276 1HB ARG 30 2HB ARG 30 -9.091 -4.739 -2.455 277 2HB ARG 30 1HB ARG 30 -9.345 -4.444 -0.740 278 1HG ARG 30 2HG ARG 30 -10.947 -6.444 -2.306 279 2HG ARG 30 1HG ARG 30 -9.442 -6.846 -1.478 280 1HD ARG 30 2HD ARG 30 -11.801 -5.580 -0.099 281 2HD ARG 30 1HD ARG 30 -11.566 -7.324 -0.202 282 HE ARG 30 HE ARG 30 -10.068 -5.451 1.426 283 1HH1 ARG 30 1HH1 ARG 30 -10.273 -8.662 0.089 284 2HH1 ARG 30 2HH1 ARG 30 -9.205 -9.358 1.261 285 1HH2 ARG 30 1HH2 ARG 30 -8.657 -6.357 2.971 286 2HH2 ARG 30 2HH2 ARG 30 -8.287 -8.047 2.901 287 H ALA 31 H ALA 31 -10.518 -1.284 -1.826 288 HA ALA 31 HA ALA 31 -11.481 -1.114 0.954 289 1HB ALA 31 1HB ALA 31 -9.760 1.079 0.191 290 2HB ALA 31 2HB ALA 31 -8.953 -0.473 -0.024 291 3HB ALA 31 3HB ALA 31 -9.623 -0.038 1.549 292 H ARG 32 H ARG 32 -12.224 -0.369 -2.142 293 HA ARG 32 HA ARG 32 -13.495 2.201 -1.520 294 1HB ARG 32 2HB ARG 32 -12.199 1.274 -3.785 295 2HB ARG 32 1HB ARG 32 -13.900 1.135 -4.208 296 1HG ARG 32 2HG ARG 32 -12.981 3.279 -4.901 297 2HG ARG 32 1HG ARG 32 -14.238 3.487 -3.679 298 1HD ARG 32 2HD ARG 32 -12.125 3.353 -2.063 299 2HD ARG 32 1HD ARG 32 -11.316 3.967 -3.506 300 HE ARG 32 HE ARG 32 -13.712 5.358 -2.581 301 1HH1 ARG 32 1HH1 ARG 32 -10.241 5.268 -2.884 302 2HH1 ARG 32 2HH1 ARG 32 -10.043 6.962 -2.584 303 1HH2 ARG 32 1HH2 ARG 32 -13.461 7.584 -2.182 304 2HH2 ARG 32 2HH2 ARG 32 -11.874 8.279 -2.185 305 H ALA 33 H ALA 33 -14.323 -0.939 -2.969 306 HA ALA 33 HA ALA 33 -17.065 -0.547 -3.096 307 1HB ALA 33 1HB ALA 33 -15.881 -3.233 -2.502 308 2HB ALA 33 2HB ALA 33 -15.630 -2.436 -4.054 309 3HB ALA 33 3HB ALA 33 -17.264 -2.825 -3.520 310 H LYS 34 H LYS 34 -15.179 -0.726 -0.290 311 HA LYS 34 HA LYS 34 -17.135 -2.016 1.359 312 1HB LYS 34 2HB LYS 34 -15.540 -0.352 3.000 313 2HB LYS 34 1HB LYS 34 -15.465 -2.095 2.827 314 1HG LYS 34 2HG LYS 34 -13.686 -2.003 1.359 315 2HG LYS 34 1HG LYS 34 -14.016 -0.334 0.882 316 1HD LYS 34 2HD LYS 34 -12.066 -0.376 2.293 317 2HD LYS 34 1HD LYS 34 -13.392 0.395 3.165 318 1HE LYS 34 2HE LYS 34 -13.148 -2.517 3.535 319 2HE LYS 34 1HE LYS 34 -11.822 -1.556 4.190 320 1HZ LYS 34 1HZ LYS 34 -13.936 -0.174 5.049 321 2HZ LYS 34 2HZ LYS 34 -13.185 -1.392 5.950 322 3HZ LYS 34 3HZ LYS 34 -14.581 -1.738 5.058 323 H TRP 35 H TRP 35 -16.073 1.347 0.994 324 HA TRP 35 HA TRP 35 -18.457 2.269 2.394 325 1HB TRP 35 2HB TRP 35 -17.349 4.529 2.087 326 2HB TRP 35 1HB TRP 35 -16.472 3.385 3.096 327 HD1 TRP 35 HD TRP 35 -16.482 3.694 -0.758 328 HE1 TRP 35 1HE TRP 35 -14.090 4.060 -1.518 329 HE3 TRP 35 3HE TRP 35 -14.182 3.894 3.802 330 HZ2 TRP 35 2HZ TRP 35 -11.520 4.383 -0.382 331 HZ3 TRP 35 3HZ TRP 35 -11.744 4.225 3.874 332 HH2 TRP 35 HH TRP 35 -10.443 4.460 1.823 333 H ASP 36 H ASP 36 -17.555 1.488 -0.672 334 HA ASP 36 HA ASP 36 -19.423 3.401 -1.902 335 1HB ASP 36 2HB ASP 36 -16.743 2.568 -2.616 336 2HB ASP 36 1HB ASP 36 -17.874 2.208 -3.924 Start of MODEL 18 1 1H MET 1 1HT MET 1 15.640 -4.790 -4.130 2 2H MET 1 2HT MET 1 14.310 -4.058 -3.384 3 3H MET 1 3HT MET 1 15.136 -5.309 -2.602 4 HA MET 1 HA MET 1 16.975 -3.299 -3.246 5 1HB MET 1 2HB MET 1 14.615 -2.342 -1.631 6 2HB MET 1 1HB MET 1 16.061 -1.424 -2.024 7 1HG MET 1 2HG MET 1 14.214 -2.488 -4.134 8 2HG MET 1 1HG MET 1 13.962 -0.928 -3.355 9 1HE MET 1 1HE MET 1 16.850 -0.194 -2.741 10 2HE MET 1 2HE MET 1 16.076 1.146 -3.589 11 3HE MET 1 3HE MET 1 17.641 0.543 -4.136 12 H TRP 2 H TRP 2 15.355 -2.928 -0.241 13 HA TRP 2 HA TRP 2 17.371 -4.605 1.081 14 1HB TRP 2 2HB TRP 2 16.319 -2.519 2.738 15 2HB TRP 2 1HB TRP 2 17.984 -2.776 2.235 16 HD1 TRP 2 HD TRP 2 18.922 -1.109 0.472 17 HE1 TRP 2 1HE TRP 2 17.944 0.906 -0.798 18 HE3 TRP 2 3HE TRP 2 13.974 -1.703 1.649 19 HZ2 TRP 2 2HZ TRP 2 15.392 2.064 -1.200 20 HZ3 TRP 2 3HZ TRP 2 12.364 -0.064 0.762 21 HH2 TRP 2 HH TRP 2 13.080 1.757 -0.636 22 H LYS 3 H LYS 3 14.814 -2.905 2.738 23 HA LYS 3 HA LYS 3 13.739 -5.383 3.791 24 1HB LYS 3 2HB LYS 3 12.463 -4.002 5.271 25 2HB LYS 3 1HB LYS 3 14.073 -3.296 5.204 26 1HG LYS 3 2HG LYS 3 12.100 -2.238 3.281 27 2HG LYS 3 1HG LYS 3 11.788 -1.895 4.981 28 1HD LYS 3 2HD LYS 3 13.950 -0.847 5.212 29 2HD LYS 3 1HD LYS 3 14.386 -1.314 3.570 30 1HE LYS 3 2HE LYS 3 13.750 1.012 3.629 31 2HE LYS 3 1HE LYS 3 12.591 0.074 2.679 32 1HZ LYS 3 1HZ LYS 3 11.004 0.880 3.978 33 2HZ LYS 3 2HZ LYS 3 12.131 1.694 4.941 34 3HZ LYS 3 3HZ LYS 3 11.690 0.105 5.316 35 H VAL 4 H VAL 4 13.174 -3.015 1.469 36 HA VAL 4 HA VAL 4 10.591 -2.834 0.951 37 HB VAL 4 HB VAL 4 12.649 -1.963 -0.369 38 1HG1 VAL 4 1HG1 VAL 4 13.603 -3.917 -1.246 39 2HG1 VAL 4 2HG1 VAL 4 12.738 -3.224 -2.618 40 3HG1 VAL 4 3HG1 VAL 4 12.038 -4.579 -1.726 41 1HG2 VAL 4 1HG2 VAL 4 10.158 -1.520 -0.725 42 2HG2 VAL 4 2HG2 VAL 4 10.271 -2.682 -2.047 43 3HG2 VAL 4 3HG2 VAL 4 11.248 -1.215 -2.076 44 H GLY 5 H GLY 5 12.614 -5.623 0.108 45 1HA GLY 5 2HA GLY 5 11.159 -7.064 -1.585 46 2HA GLY 5 1HA GLY 5 11.918 -7.831 -0.197 47 H PHE 6 H PHE 6 10.402 -6.986 1.867 48 HA PHE 6 HA PHE 6 7.711 -7.844 1.099 49 1HB PHE 6 2HB PHE 6 7.504 -9.173 3.042 50 2HB PHE 6 1HB PHE 6 9.116 -9.530 2.432 51 HD1 PHE 6 1HD PHE 6 7.243 -8.655 5.269 52 HD2 PHE 6 2HD PHE 6 11.038 -8.057 3.439 53 HE1 PHE 6 1HE PHE 6 8.196 -8.048 7.454 54 HE2 PHE 6 2HE PHE 6 11.997 -7.449 5.620 55 HZ PHE 6 HZ PHE 6 10.576 -7.445 7.632 56 H PHE 7 H PHE 7 9.302 -5.225 1.810 57 HA PHE 7 HA PHE 7 7.606 -4.244 3.942 58 1HB PHE 7 2HB PHE 7 10.168 -3.754 3.497 59 2HB PHE 7 1HB PHE 7 9.486 -2.459 2.524 60 HD1 PHE 7 1HD PHE 7 9.772 -0.498 3.608 61 HD2 PHE 7 2HD PHE 7 8.434 -3.876 5.813 62 HE1 PHE 7 1HE PHE 7 9.484 0.924 5.593 63 HE2 PHE 7 2HE PHE 7 8.133 -2.465 7.807 64 HZ PHE 7 HZ PHE 7 8.661 -0.059 7.699 65 H LYS 8 H LYS 8 8.097 -3.782 0.551 66 HA LYS 8 HA LYS 8 6.501 -1.473 0.341 67 1HB LYS 8 2HB LYS 8 6.664 -1.898 -2.080 68 2HB LYS 8 1HB LYS 8 8.179 -1.889 -1.187 69 1HG LYS 8 2HG LYS 8 7.258 -3.839 -2.999 70 2HG LYS 8 1HG LYS 8 8.734 -3.816 -2.053 71 1HD LYS 8 2HD LYS 8 8.077 -5.582 -0.930 72 2HD LYS 8 1HD LYS 8 6.651 -4.709 -0.360 73 1HE LYS 8 2HE LYS 8 6.036 -6.765 -1.461 74 2HE LYS 8 1HE LYS 8 5.443 -5.377 -2.374 75 1HZ LYS 8 1HZ LYS 8 7.734 -7.142 -3.018 76 2HZ LYS 8 2HZ LYS 8 7.522 -5.638 -3.759 77 3HZ LYS 8 3HZ LYS 8 6.352 -6.844 -3.948 78 H ARG 9 H ARG 9 5.664 -4.574 0.978 79 HA ARG 9 HA ARG 9 2.939 -4.161 -0.039 80 1HB ARG 9 2HB ARG 9 2.681 -6.441 -0.393 81 2HB ARG 9 1HB ARG 9 4.372 -6.224 -0.807 82 1HG ARG 9 2HG ARG 9 4.651 -6.771 1.789 83 2HG ARG 9 1HG ARG 9 3.144 -7.634 1.476 84 1HD ARG 9 2HD ARG 9 5.702 -7.968 -0.087 85 2HD ARG 9 1HD ARG 9 5.134 -9.055 1.180 86 HE ARG 9 HE ARG 9 3.104 -9.314 -0.358 87 1HH1 ARG 9 1HH1 ARG 9 6.356 -8.747 -1.477 88 2HH1 ARG 9 2HH1 ARG 9 6.104 -9.524 -3.004 89 1HH2 ARG 9 1HH2 ARG 9 2.761 -10.329 -2.374 90 2HH2 ARG 9 2HH2 ARG 9 4.063 -10.422 -3.514 91 H ASN 10 H ASN 10 4.943 -3.965 2.441 92 HA ASN 10 HA ASN 10 3.092 -4.812 4.544 93 1HB ASN 10 2HB ASN 10 5.238 -5.808 4.764 94 2HB ASN 10 1HB ASN 10 6.055 -4.271 4.415 95 1HD2 ASN 10 1HD2 ASN 10 7.228 -4.665 6.399 96 2HD2 ASN 10 2HD2 ASN 10 6.515 -4.281 7.924 97 H ARG 11 H ARG 11 5.656 -2.407 4.646 98 HA ARG 11 HA ARG 11 5.726 -0.235 5.272 99 1HB ARG 11 2HB ARG 11 4.205 0.005 3.301 100 2HB ARG 11 1HB ARG 11 2.848 -0.101 4.409 101 1HG ARG 11 2HG ARG 11 2.988 2.137 4.383 102 2HG ARG 11 1HG ARG 11 4.257 1.870 5.580 103 1HD ARG 11 2HD ARG 11 4.849 1.948 2.641 104 2HD ARG 11 1HD ARG 11 4.773 3.420 3.606 105 HE ARG 11 HE ARG 11 6.736 1.247 3.930 106 1HH1 ARG 11 1HH1 ARG 11 5.643 4.491 4.604 107 2HH1 ARG 11 2HH1 ARG 11 7.152 4.995 5.290 108 1HH2 ARG 11 1HH2 ARG 11 8.728 1.915 4.824 109 2HH2 ARG 11 2HH2 ARG 11 8.902 3.530 5.419 110 1H LYS 12 1HT LYS 12 15.225 5.404 -1.464 111 2H LYS 12 2HT LYS 12 16.497 4.309 -1.265 112 3H LYS 12 3HT LYS 12 16.422 5.698 -0.306 113 HA LYS 12 HA LYS 12 14.762 3.285 -0.197 114 1HB LYS 12 2HB LYS 12 16.817 3.405 1.143 115 2HB LYS 12 1HB LYS 12 16.205 4.857 1.928 116 1HG LYS 12 2HG LYS 12 14.157 3.013 2.250 117 2HG LYS 12 1HG LYS 12 15.641 2.073 2.481 118 1HD LYS 12 2HD LYS 12 16.327 3.350 4.282 119 2HD LYS 12 1HD LYS 12 15.320 4.724 3.831 120 1HE LYS 12 2HE LYS 12 14.153 2.093 4.684 121 2HE LYS 12 1HE LYS 12 14.593 3.340 5.850 122 1HZ LYS 12 1HZ LYS 12 12.344 3.218 4.053 123 2HZ LYS 12 2HZ LYS 12 13.135 4.712 4.044 124 3HZ LYS 12 3HZ LYS 12 12.532 4.083 5.494 125 H LEU 13 H LEU 13 14.363 6.593 -0.322 126 HA LEU 13 HA LEU 13 12.098 6.492 1.497 127 1HB LEU 13 2HB LEU 13 13.113 8.861 -0.076 128 2HB LEU 13 1HB LEU 13 11.965 8.890 1.252 129 HG LEU 13 HG LEU 13 13.835 9.534 2.386 130 1HD1 LEU 13 1HD1 LEU 13 14.035 6.513 2.398 131 2HD1 LEU 13 2HD1 LEU 13 13.184 7.556 3.546 132 3HD1 LEU 13 3HD1 LEU 13 14.946 7.574 3.483 133 1HD2 LEU 13 1HD2 LEU 13 15.854 7.775 1.201 134 2HD2 LEU 13 2HD2 LEU 13 15.913 9.502 1.553 135 3HD2 LEU 13 3HD2 LEU 13 15.134 8.930 0.078 136 H LEU 14 H LEU 14 12.497 5.267 -1.266 137 HA LEU 14 HA LEU 14 10.397 6.401 -2.870 138 1HB LEU 14 2HB LEU 14 10.744 4.431 -4.298 139 2HB LEU 14 1HB LEU 14 12.258 5.239 -3.941 140 HG LEU 14 HG LEU 14 11.992 3.283 -1.946 141 1HD1 LEU 14 1HD1 LEU 14 10.216 2.294 -3.388 142 2HD1 LEU 14 2HD1 LEU 14 11.599 1.237 -3.106 143 3HD1 LEU 14 3HD1 LEU 14 11.432 2.076 -4.647 144 1HD2 LEU 14 1HD2 LEU 14 13.882 4.191 -3.721 145 2HD2 LEU 14 2HD2 LEU 14 13.626 2.524 -4.236 146 3HD2 LEU 14 3HD2 LEU 14 14.095 2.872 -2.572 147 H ILE 15 H ILE 15 10.662 4.517 -0.166 148 HA ILE 15 HA ILE 15 8.343 2.846 -0.496 149 HB ILE 15 HB ILE 15 9.906 3.472 2.018 150 1HG1 ILE 15 2HG1 ILE 15 11.349 2.642 0.192 151 2HG1 ILE 15 1HG1 ILE 15 11.256 1.535 1.559 152 1HG2 ILE 15 1HG2 ILE 15 8.499 0.888 1.471 153 2HG2 ILE 15 2HG2 ILE 15 7.580 2.279 2.056 154 3HG2 ILE 15 3HG2 ILE 15 8.913 1.637 3.015 155 1HD1 ILE 15 1HD1 ILE 15 10.145 -0.048 0.380 156 2HD1 ILE 15 2HD1 ILE 15 11.066 0.703 -0.926 157 3HD1 ILE 15 3HD1 ILE 15 9.372 1.126 -0.687 158 H THR 16 H THR 16 8.516 6.000 -0.347 159 HA THR 16 HA THR 16 6.614 6.531 1.782 160 HB THR 16 HB THR 16 8.044 8.289 -0.209 161 HG1 THR 16 1HG THR 16 9.112 9.002 1.593 162 1HG2 THR 16 1HG2 THR 16 5.912 9.341 0.128 163 2HG2 THR 16 2HG2 THR 16 7.151 10.221 1.022 164 3HG2 THR 16 3HG2 THR 16 6.050 9.140 1.874 165 H ILE 17 H ILE 17 6.723 6.552 -1.765 166 HA ILE 17 HA ILE 17 3.788 6.792 -1.748 167 HB ILE 17 HB ILE 17 5.306 8.664 -2.835 168 1HG1 ILE 17 2HG1 ILE 17 2.801 8.511 -2.766 169 2HG1 ILE 17 1HG1 ILE 17 3.441 9.300 -4.203 170 1HG2 ILE 17 1HG2 ILE 17 5.243 6.492 -4.893 171 2HG2 ILE 17 2HG2 ILE 17 6.599 7.498 -4.373 172 3HG2 ILE 17 3HG2 ILE 17 5.317 8.191 -5.367 173 1HD1 ILE 17 1HD1 ILE 17 3.118 6.475 -4.656 174 2HD1 ILE 17 2HD1 ILE 17 2.421 7.846 -5.523 175 3HD1 ILE 17 3HD1 ILE 17 1.614 7.206 -4.092 176 H HIS 18 H HIS 18 6.569 5.264 -3.353 177 HA HIS 18 HA HIS 18 5.091 3.733 -5.176 178 1HB HIS 18 2HB HIS 18 7.130 3.156 -5.847 179 2HB HIS 18 1HB HIS 18 7.817 3.970 -4.448 180 HD1 HIS 18 1HD HIS 18 7.737 2.259 -2.199 181 HD2 HIS 18 2HD HIS 18 7.869 0.587 -5.999 182 HE1 HIS 18 1HE HIS 18 8.587 -0.083 -1.873 183 HE2 HIS 18 2HE HIS 18 8.582 -1.102 -4.177 184 H ASP 19 H ASP 19 5.687 3.332 -1.783 185 HA ASP 19 HA ASP 19 4.922 0.590 -1.646 186 1HB ASP 19 2HB ASP 19 6.196 2.064 0.065 187 2HB ASP 19 1HB ASP 19 4.590 2.520 0.626 188 H ARG 20 H ARG 20 3.284 3.609 -1.820 189 HA ARG 20 HA ARG 20 0.727 2.617 -0.956 190 1HB ARG 20 2HB ARG 20 1.868 5.178 -1.781 191 2HB ARG 20 1HB ARG 20 0.217 4.937 -2.332 192 1HG ARG 20 2HG ARG 20 -0.393 5.721 -0.341 193 2HG ARG 20 1HG ARG 20 0.101 4.151 0.296 194 1HD ARG 20 2HD ARG 20 2.362 5.051 0.680 195 2HD ARG 20 1HD ARG 20 1.816 6.624 0.103 196 HE ARG 20 HE ARG 20 0.252 6.610 2.026 197 1HH1 ARG 20 1HH1 ARG 20 3.108 4.610 2.105 198 2HH1 ARG 20 2HH1 ARG 20 3.177 4.558 3.835 199 1HH2 ARG 20 1HH2 ARG 20 0.343 6.550 4.300 200 2HH2 ARG 20 2HH2 ARG 20 1.606 5.659 5.082 201 H LYS 21 H LYS 21 2.595 2.682 -3.764 202 HA LYS 21 HA LYS 21 0.383 2.290 -5.608 203 1HB LYS 21 2HB LYS 21 1.862 2.806 -7.271 204 2HB LYS 21 1HB LYS 21 2.761 3.507 -5.935 205 1HG LYS 21 2HG LYS 21 4.274 1.774 -5.843 206 2HG LYS 21 1HG LYS 21 3.200 0.674 -6.721 207 1HD LYS 21 2HD LYS 21 3.939 3.073 -8.232 208 2HD LYS 21 1HD LYS 21 5.308 2.039 -7.818 209 1HE LYS 21 2HE LYS 21 4.277 0.150 -8.874 210 2HE LYS 21 1HE LYS 21 2.784 1.050 -9.135 211 1HZ LYS 21 1HZ LYS 21 5.141 2.282 -10.262 212 2HZ LYS 21 2HZ LYS 21 3.612 2.046 -10.944 213 3HZ LYS 21 3HZ LYS 21 4.743 0.790 -10.950 214 H GLU 22 H GLU 22 2.955 0.540 -4.063 215 HA GLU 22 HA GLU 22 2.440 -1.931 -5.412 216 1HB GLU 22 2HB GLU 22 4.078 -1.272 -2.952 217 2HB GLU 22 1HB GLU 22 4.140 -2.772 -3.857 218 1HG GLU 22 2HG GLU 22 4.644 -0.243 -5.319 219 2HG GLU 22 1HG GLU 22 5.895 -0.833 -4.214 220 H PHE 23 H PHE 23 0.708 -0.183 -3.426 221 HA PHE 23 HA PHE 23 -0.331 -2.395 -1.791 222 1HB PHE 23 2HB PHE 23 0.389 -0.685 -0.339 223 2HB PHE 23 1HB PHE 23 -0.202 0.586 -1.391 224 HD1 PHE 23 1HD PHE 23 -1.502 -2.295 0.591 225 HD2 PHE 23 2HD PHE 23 -2.098 1.695 -0.760 226 HE1 PHE 23 1HE PHE 23 -3.540 -2.139 1.960 227 HE2 PHE 23 2HE PHE 23 -4.138 1.858 0.602 228 HZ PHE 23 HZ PHE 23 -4.861 -0.061 1.969 229 H ALA 24 H ALA 24 -0.905 -0.355 -4.424 230 HA ALA 24 HA ALA 24 -3.790 -0.378 -4.246 231 1HB ALA 24 1HB ALA 24 -3.179 1.540 -5.314 232 2HB ALA 24 2HB ALA 24 -3.405 0.496 -6.718 233 3HB ALA 24 3HB ALA 24 -1.782 0.795 -6.093 234 H LYS 25 H LYS 25 -3.154 -2.847 -4.008 235 HA LYS 25 HA LYS 25 -2.900 -4.367 -6.409 236 1HB LYS 25 2HB LYS 25 -3.708 -6.214 -4.787 237 2HB LYS 25 1HB LYS 25 -2.176 -5.430 -4.419 238 1HG LYS 25 2HG LYS 25 -3.931 -3.823 -3.076 239 2HG LYS 25 1HG LYS 25 -4.710 -5.408 -2.941 240 1HD LYS 25 2HD LYS 25 -1.857 -4.793 -2.174 241 2HD LYS 25 1HD LYS 25 -3.215 -4.934 -1.054 242 1HE LYS 25 2HE LYS 25 -2.906 -7.228 -2.845 243 2HE LYS 25 1HE LYS 25 -1.534 -6.970 -1.770 244 1HZ LYS 25 1HZ LYS 25 -3.838 -8.251 -1.121 245 2HZ LYS 25 2HZ LYS 25 -4.057 -6.721 -0.435 246 3HZ LYS 25 3HZ LYS 25 -2.704 -7.647 -0.020 247 H PHE 26 H PHE 26 -5.451 -3.814 -4.093 248 HA PHE 26 HA PHE 26 -7.520 -4.196 -6.134 249 1HB PHE 26 2HB PHE 26 -8.289 -5.840 -4.814 250 2HB PHE 26 1HB PHE 26 -7.034 -5.515 -3.643 251 HD1 PHE 26 1HD PHE 26 -7.449 -4.259 -1.668 252 HD2 PHE 26 2HD PHE 26 -10.533 -4.880 -4.534 253 HE1 PHE 26 1HE PHE 26 -9.114 -3.529 -0.020 254 HE2 PHE 26 2HE PHE 26 -12.212 -4.145 -2.889 255 HZ PHE 26 HZ PHE 26 -11.504 -3.469 -0.627 256 H GLU 27 H GLU 27 -5.971 -2.280 -3.880 257 HA GLU 27 HA GLU 27 -7.985 -0.541 -2.997 258 1HB GLU 27 2HB GLU 27 -5.001 -0.384 -3.275 259 2HB GLU 27 1HB GLU 27 -5.911 1.011 -2.754 260 1HG GLU 27 2HG GLU 27 -5.513 -1.600 -1.374 261 2HG GLU 27 1HG GLU 27 -5.229 0.034 -0.776 262 H GLU 28 H GLU 28 -6.157 -0.795 -5.947 263 HA GLU 28 HA GLU 28 -6.757 1.826 -6.940 264 1HB GLU 28 2HB GLU 28 -5.854 1.020 -9.056 265 2HB GLU 28 1HB GLU 28 -4.802 0.533 -7.735 266 1HG GLU 28 2HG GLU 28 -5.805 -1.707 -7.783 267 2HG GLU 28 1HG GLU 28 -6.815 -1.209 -9.140 268 H GLU 29 H GLU 29 -8.652 -0.690 -6.256 269 HA GLU 29 HA GLU 29 -10.587 -0.078 -8.386 270 1HB GLU 29 2HB GLU 29 -10.533 -2.673 -6.859 271 2HB GLU 29 1HB GLU 29 -11.323 -2.319 -8.393 272 1HG GLU 29 2HG GLU 29 -8.398 -2.003 -8.351 273 2HG GLU 29 1HG GLU 29 -9.002 -3.652 -8.165 274 H ARG 30 H ARG 30 -9.824 0.436 -5.285 275 HA ARG 30 HA ARG 30 -12.607 0.388 -4.325 276 1HB ARG 30 2HB ARG 30 -10.180 -0.520 -3.151 277 2HB ARG 30 1HB ARG 30 -10.756 0.844 -2.202 278 1HG ARG 30 2HG ARG 30 -12.427 -1.554 -2.911 279 2HG ARG 30 1HG ARG 30 -11.541 -1.361 -1.397 280 1HD ARG 30 2HD ARG 30 -13.867 0.239 -2.423 281 2HD ARG 30 1HD ARG 30 -13.749 -0.684 -0.927 282 HE ARG 30 HE ARG 30 -12.563 1.942 -1.450 283 1HH1 ARG 30 1HH1 ARG 30 -13.182 -0.694 0.746 284 2HH1 ARG 30 2HH1 ARG 30 -12.772 0.220 2.160 285 1HH2 ARG 30 1HH2 ARG 30 -12.021 3.151 0.408 286 2HH2 ARG 30 2HH2 ARG 30 -12.114 2.403 1.968 287 H ALA 31 H ALA 31 -9.600 2.244 -3.806 288 HA ALA 31 HA ALA 31 -11.219 4.644 -3.371 289 1HB ALA 31 1HB ALA 31 -8.366 3.984 -2.694 290 2HB ALA 31 2HB ALA 31 -9.708 4.289 -1.590 291 3HB ALA 31 3HB ALA 31 -9.035 5.609 -2.549 292 H ARG 32 H ARG 32 -10.006 3.198 -5.941 293 HA ARG 32 HA ARG 32 -8.973 5.659 -7.188 294 1HB ARG 32 2HB ARG 32 -7.908 3.116 -7.217 295 2HB ARG 32 1HB ARG 32 -8.781 3.189 -8.740 296 1HG ARG 32 2HG ARG 32 -6.417 3.844 -8.938 297 2HG ARG 32 1HG ARG 32 -7.534 5.112 -9.439 298 1HD ARG 32 2HD ARG 32 -7.249 5.833 -6.899 299 2HD ARG 32 1HD ARG 32 -5.713 4.989 -7.096 300 HE ARG 32 HE ARG 32 -6.359 7.547 -8.097 301 1HH1 ARG 32 1HH1 ARG 32 -4.670 4.626 -8.980 302 2HH1 ARG 32 2HH1 ARG 32 -3.586 5.430 -10.066 303 1HH2 ARG 32 1HH2 ARG 32 -4.941 8.609 -9.524 304 2HH2 ARG 32 2HH2 ARG 32 -3.739 7.697 -10.373 305 H ALA 33 H ALA 33 -10.825 2.782 -8.188 306 HA ALA 33 HA ALA 33 -12.022 3.789 -10.421 307 1HB ALA 33 1HB ALA 33 -13.468 2.041 -8.442 308 2HB ALA 33 2HB ALA 33 -12.208 1.457 -9.530 309 3HB ALA 33 3HB ALA 33 -13.704 2.120 -10.188 310 H LYS 34 H LYS 34 -12.730 4.624 -7.114 311 HA LYS 34 HA LYS 34 -15.297 5.639 -7.293 312 1HB LYS 34 2HB LYS 34 -14.453 7.400 -5.618 313 2HB LYS 34 1HB LYS 34 -14.365 5.711 -5.140 314 1HG LYS 34 2HG LYS 34 -11.999 5.663 -5.617 315 2HG LYS 34 1HG LYS 34 -12.069 7.298 -6.270 316 1HD LYS 34 2HD LYS 34 -11.165 7.197 -3.962 317 2HD LYS 34 1HD LYS 34 -12.606 8.203 -4.107 318 1HE LYS 34 2HE LYS 34 -13.482 5.582 -3.523 319 2HE LYS 34 1HE LYS 34 -12.148 5.934 -2.426 320 1HZ LYS 34 1HZ LYS 34 -13.438 8.165 -2.130 321 2HZ LYS 34 2HZ LYS 34 -13.908 6.786 -1.271 322 3HZ LYS 34 3HZ LYS 34 -14.760 7.250 -2.656 323 H TRP 35 H TRP 35 -12.271 7.410 -7.776 324 HA TRP 35 HA TRP 35 -13.700 9.493 -9.234 325 1HB TRP 35 2HB TRP 35 -11.491 10.673 -9.098 326 2HB TRP 35 1HB TRP 35 -12.223 10.334 -7.538 327 HD1 TRP 35 HD TRP 35 -9.940 8.165 -9.800 328 HE1 TRP 35 1HE TRP 35 -7.964 7.403 -8.402 329 HE3 TRP 35 3HE TRP 35 -11.087 10.507 -5.405 330 HZ2 TRP 35 2HZ TRP 35 -6.974 7.713 -5.771 331 HZ3 TRP 35 3HZ TRP 35 -9.573 10.211 -3.490 332 HH2 TRP 35 HH TRP 35 -7.559 8.842 -3.669 333 H ASP 36 H ASP 36 -12.282 6.633 -9.827 334 HA ASP 36 HA ASP 36 -11.199 7.442 -12.442 335 1HB ASP 36 2HB ASP 36 -10.156 5.748 -10.424 336 2HB ASP 36 1HB ASP 36 -10.606 4.706 -11.779 Start of MODEL 19 1 1H MET 1 1HT MET 1 15.135 -4.544 -4.297 2 2H MET 1 2HT MET 1 14.180 -4.693 -2.909 3 3H MET 1 3HT MET 1 15.517 -5.706 -3.126 4 HA MET 1 HA MET 1 16.845 -3.511 -3.215 5 1HB MET 1 2HB MET 1 14.387 -2.721 -1.652 6 2HB MET 1 1HB MET 1 15.842 -1.754 -1.842 7 1HG MET 1 2HG MET 1 13.993 -2.581 -4.069 8 2HG MET 1 1HG MET 1 14.021 -1.001 -3.289 9 1HE MET 1 1HE MET 1 16.613 -0.436 -2.634 10 2HE MET 1 2HE MET 1 16.643 0.797 -3.895 11 3HE MET 1 3HE MET 1 17.913 -0.424 -3.827 12 H TRP 2 H TRP 2 15.164 -3.316 -0.244 13 HA TRP 2 HA TRP 2 17.196 -4.989 1.069 14 1HB TRP 2 2HB TRP 2 16.000 -2.993 2.761 15 2HB TRP 2 1HB TRP 2 17.700 -3.204 2.351 16 HD1 TRP 2 HD TRP 2 18.693 -1.561 0.549 17 HE1 TRP 2 1HE TRP 2 17.761 0.516 -0.651 18 HE3 TRP 2 3HE TRP 2 13.741 -2.016 1.785 19 HZ2 TRP 2 2HZ TRP 2 15.248 1.766 -0.984 20 HZ3 TRP 2 3HZ TRP 2 12.177 -0.307 0.975 21 HH2 TRP 2 HH TRP 2 12.930 1.527 -0.393 22 H LYS 3 H LYS 3 14.432 -3.360 2.450 23 HA LYS 3 HA LYS 3 13.325 -5.923 3.354 24 1HB LYS 3 2HB LYS 3 12.136 -4.647 5.022 25 2HB LYS 3 1HB LYS 3 13.831 -4.176 5.083 26 1HG LYS 3 2HG LYS 3 12.058 -2.558 3.350 27 2HG LYS 3 1HG LYS 3 11.797 -2.436 5.089 28 1HD LYS 3 2HD LYS 3 14.137 -1.830 5.410 29 2HD LYS 3 1HD LYS 3 14.425 -1.993 3.678 30 1HE LYS 3 2HE LYS 3 13.010 -0.167 3.167 31 2HE LYS 3 1HE LYS 3 12.398 -0.100 4.827 32 1HZ LYS 3 1HZ LYS 3 15.245 0.146 4.701 33 2HZ LYS 3 2HZ LYS 3 14.112 1.146 5.461 34 3HZ LYS 3 3HZ LYS 3 14.462 1.361 3.822 35 H VAL 4 H VAL 4 12.988 -3.399 1.215 36 HA VAL 4 HA VAL 4 10.418 -2.820 0.862 37 HB VAL 4 HB VAL 4 12.488 -2.124 -0.509 38 1HG1 VAL 4 1HG1 VAL 4 11.566 -4.609 -1.930 39 2HG1 VAL 4 2HG1 VAL 4 13.208 -4.109 -1.514 40 3HG1 VAL 4 3HG1 VAL 4 12.344 -3.296 -2.819 41 1HG2 VAL 4 1HG2 VAL 4 10.242 -2.405 -2.386 42 2HG2 VAL 4 2HG2 VAL 4 11.098 -0.965 -1.834 43 3HG2 VAL 4 3HG2 VAL 4 9.845 -1.687 -0.825 44 H GLY 5 H GLY 5 12.001 -5.749 -0.419 45 1HA GLY 5 2HA GLY 5 9.989 -6.772 -1.941 46 2HA GLY 5 1HA GLY 5 11.059 -7.785 -0.973 47 H PHE 6 H PHE 6 10.123 -6.668 1.534 48 HA PHE 6 HA PHE 6 7.415 -7.750 1.523 49 1HB PHE 6 2HB PHE 6 8.276 -8.134 4.111 50 2HB PHE 6 1HB PHE 6 8.170 -9.378 2.871 51 HD1 PHE 6 1HD PHE 6 10.390 -7.259 4.818 52 HD2 PHE 6 2HD PHE 6 10.163 -10.107 1.666 53 HE1 PHE 6 1HE PHE 6 12.820 -7.618 4.974 54 HE2 PHE 6 2HE PHE 6 12.591 -10.473 1.815 55 HZ PHE 6 HZ PHE 6 13.922 -9.227 3.471 56 H PHE 7 H PHE 7 8.883 -4.996 1.581 57 HA PHE 7 HA PHE 7 7.423 -3.860 3.853 58 1HB PHE 7 2HB PHE 7 10.013 -3.492 3.199 59 2HB PHE 7 1HB PHE 7 9.276 -2.157 2.320 60 HD1 PHE 7 1HD PHE 7 10.405 -0.504 3.667 61 HD2 PHE 7 2HD PHE 7 7.777 -3.344 5.436 62 HE1 PHE 7 1HE PHE 7 10.324 0.855 5.713 63 HE2 PHE 7 2HE PHE 7 7.688 -1.995 7.486 64 HZ PHE 7 HZ PHE 7 8.961 0.110 7.630 65 H LYS 8 H LYS 8 7.974 -3.387 0.383 66 HA LYS 8 HA LYS 8 6.262 -1.171 0.200 67 1HB LYS 8 2HB LYS 8 6.167 -1.905 -2.312 68 2HB LYS 8 1HB LYS 8 7.619 -1.229 -1.593 69 1HG LYS 8 2HG LYS 8 8.123 -3.066 -3.091 70 2HG LYS 8 1HG LYS 8 8.632 -3.398 -1.447 71 1HD LYS 8 2HD LYS 8 7.509 -5.255 -2.863 72 2HD LYS 8 1HD LYS 8 7.069 -5.080 -1.170 73 1HE LYS 8 2HE LYS 8 4.953 -4.444 -1.666 74 2HE LYS 8 1HE LYS 8 5.452 -3.522 -3.086 75 1HZ LYS 8 1HZ LYS 8 4.998 -5.232 -4.415 76 2HZ LYS 8 2HZ LYS 8 4.196 -5.937 -3.105 77 3HZ LYS 8 3HZ LYS 8 5.806 -6.342 -3.426 78 H ARG 9 H ARG 9 5.598 -4.348 0.807 79 HA ARG 9 HA ARG 9 2.810 -4.073 -0.106 80 1HB ARG 9 2HB ARG 9 2.704 -6.340 -0.495 81 2HB ARG 9 1HB ARG 9 4.410 -6.070 -0.827 82 1HG ARG 9 2HG ARG 9 4.699 -6.629 1.705 83 2HG ARG 9 1HG ARG 9 3.122 -7.395 1.512 84 1HD ARG 9 2HD ARG 9 5.029 -8.047 -0.608 85 2HD ARG 9 1HD ARG 9 5.536 -8.575 0.996 86 HE ARG 9 HE ARG 9 3.123 -9.442 -0.431 87 1HH1 ARG 9 1HH1 ARG 9 5.323 -9.743 2.256 88 2HH1 ARG 9 2HH1 ARG 9 4.677 -11.263 2.780 89 1HH2 ARG 9 1HH2 ARG 9 2.268 -11.443 0.251 90 2HH2 ARG 9 2HH2 ARG 9 2.941 -12.230 1.641 91 H ASN 10 H ASN 10 4.844 -3.857 2.452 92 HA ASN 10 HA ASN 10 2.871 -4.692 4.459 93 1HB ASN 10 2HB ASN 10 5.088 -5.720 4.642 94 2HB ASN 10 1HB ASN 10 5.828 -4.121 4.715 95 1HD2 ASN 10 1HD2 ASN 10 6.511 -5.655 6.687 96 2HD2 ASN 10 2HD2 ASN 10 5.673 -5.287 8.153 97 H ARG 11 H ARG 11 5.495 -2.334 4.617 98 HA ARG 11 HA ARG 11 5.584 -0.151 5.212 99 1HB ARG 11 2HB ARG 11 4.013 0.147 3.314 100 2HB ARG 11 1HB ARG 11 2.679 -0.040 4.441 101 1HG ARG 11 2HG ARG 11 2.775 2.215 4.427 102 2HG ARG 11 1HG ARG 11 3.974 1.917 5.687 103 1HD ARG 11 2HD ARG 11 4.717 2.150 2.785 104 2HD ARG 11 1HD ARG 11 4.608 3.556 3.844 105 HE ARG 11 HE ARG 11 6.542 1.355 4.087 106 1HH1 ARG 11 1HH1 ARG 11 5.433 4.538 4.975 107 2HH1 ARG 11 2HH1 ARG 11 6.894 4.957 5.807 108 1HH2 ARG 11 1HH2 ARG 11 8.472 1.901 5.174 109 2HH2 ARG 11 2HH2 ARG 11 8.622 3.458 5.920 110 1H LYS 12 1HT LYS 12 15.410 5.655 -1.168 111 2H LYS 12 2HT LYS 12 15.845 4.195 -1.903 112 3H LYS 12 3HT LYS 12 16.845 4.877 -0.722 113 HA LYS 12 HA LYS 12 14.814 3.046 -0.382 114 1HB LYS 12 2HB LYS 12 16.856 3.056 0.884 115 2HB LYS 12 1HB LYS 12 16.465 4.628 1.575 116 1HG LYS 12 2HG LYS 12 14.328 2.765 2.073 117 2HG LYS 12 1HG LYS 12 15.875 2.103 2.627 118 1HD LYS 12 2HD LYS 12 16.144 3.701 4.224 119 2HD LYS 12 1HD LYS 12 15.313 4.939 3.282 120 1HE LYS 12 2HE LYS 12 13.812 2.616 4.431 121 2HE LYS 12 1HE LYS 12 14.191 4.021 5.424 122 1HZ LYS 12 1HZ LYS 12 12.266 4.786 4.610 123 2HZ LYS 12 2HZ LYS 12 12.271 3.738 3.281 124 3HZ LYS 12 3HZ LYS 12 13.171 5.168 3.232 125 H LEU 13 H LEU 13 14.505 6.428 -0.235 126 HA LEU 13 HA LEU 13 12.300 6.265 1.624 127 1HB LEU 13 2HB LEU 13 13.212 8.644 0.011 128 2HB LEU 13 1HB LEU 13 12.165 8.664 1.419 129 HG LEU 13 HG LEU 13 14.120 9.289 2.419 130 1HD1 LEU 13 1HD1 LEU 13 14.357 6.266 2.382 131 2HD1 LEU 13 2HD1 LEU 13 13.514 7.268 3.573 132 3HD1 LEU 13 3HD1 LEU 13 15.271 7.342 3.450 133 1HD2 LEU 13 1HD2 LEU 13 15.477 7.728 0.249 134 2HD2 LEU 13 2HD2 LEU 13 16.362 8.289 1.668 135 3HD2 LEU 13 3HD2 LEU 13 15.571 9.453 0.605 136 H LEU 14 H LEU 14 12.396 4.955 -1.067 137 HA LEU 14 HA LEU 14 10.263 6.183 -2.573 138 1HB LEU 14 2HB LEU 14 10.389 4.005 -3.871 139 2HB LEU 14 1HB LEU 14 11.827 5.007 -3.895 140 HG LEU 14 HG LEU 14 11.854 2.997 -1.752 141 1HD1 LEU 14 1HD1 LEU 14 12.172 1.081 -3.149 142 2HD1 LEU 14 2HD1 LEU 14 11.973 2.048 -4.610 143 3HD1 LEU 14 3HD1 LEU 14 10.602 1.789 -3.532 144 1HD2 LEU 14 1HD2 LEU 14 14.020 2.649 -3.424 145 2HD2 LEU 14 2HD2 LEU 14 13.964 3.678 -1.995 146 3HD2 LEU 14 3HD2 LEU 14 13.650 4.365 -3.588 147 H ILE 15 H ILE 15 10.627 4.192 0.093 148 HA ILE 15 HA ILE 15 8.228 2.652 -0.135 149 HB ILE 15 HB ILE 15 9.815 3.214 2.370 150 1HG1 ILE 15 2HG1 ILE 15 11.355 2.481 0.675 151 2HG1 ILE 15 1HG1 ILE 15 11.081 1.171 1.819 152 1HG2 ILE 15 1HG2 ILE 15 8.351 0.696 1.666 153 2HG2 ILE 15 2HG2 ILE 15 7.525 2.051 2.438 154 3HG2 ILE 15 3HG2 ILE 15 8.876 1.261 3.253 155 1HD1 ILE 15 1HD1 ILE 15 10.459 -0.161 0.185 156 2HD1 ILE 15 2HD1 ILE 15 10.825 1.121 -0.971 157 3HD1 ILE 15 3HD1 ILE 15 9.196 0.967 -0.308 158 H THR 16 H THR 16 8.626 5.832 0.176 159 HA THR 16 HA THR 16 6.412 6.217 2.061 160 HB THR 16 HB THR 16 8.798 7.772 1.364 161 HG1 THR 16 1HG THR 16 8.474 8.505 3.465 162 1HG2 THR 16 1HG2 THR 16 7.864 9.968 1.698 163 2HG2 THR 16 2HG2 THR 16 6.235 9.295 1.775 164 3HG2 THR 16 3HG2 THR 16 7.149 9.224 0.268 165 H ILE 17 H ILE 17 7.364 6.406 -1.237 166 HA ILE 17 HA ILE 17 4.730 7.524 -1.918 167 HB ILE 17 HB ILE 17 7.412 8.166 -2.985 168 1HG1 ILE 17 2HG1 ILE 17 6.037 9.738 -1.654 169 2HG1 ILE 17 1HG1 ILE 17 6.399 10.363 -3.261 170 1HG2 ILE 17 1HG2 ILE 17 5.137 7.453 -4.725 171 2HG2 ILE 17 2HG2 ILE 17 6.873 7.420 -5.049 172 3HG2 ILE 17 3HG2 ILE 17 5.992 8.948 -5.122 173 1HD1 ILE 17 1HD1 ILE 17 3.951 8.938 -3.405 174 2HD1 ILE 17 2HD1 ILE 17 4.243 10.665 -3.626 175 3HD1 ILE 17 3HD1 ILE 17 3.880 10.032 -2.020 176 H HIS 18 H HIS 18 7.347 5.661 -3.520 177 HA HIS 18 HA HIS 18 5.774 4.394 -5.398 178 1HB HIS 18 2HB HIS 18 7.765 3.580 -5.982 179 2HB HIS 18 1HB HIS 18 8.447 4.198 -4.484 180 HD1 HIS 18 1HD HIS 18 8.273 2.443 -2.399 181 HD2 HIS 18 2HD HIS 18 7.820 0.889 -6.224 182 HE1 HIS 18 1HE HIS 18 8.682 -0.027 -2.172 183 HE2 HIS 18 2HE HIS 18 8.412 -0.949 -4.501 184 H ASP 19 H ASP 19 5.857 3.929 -2.038 185 HA ASP 19 HA ASP 19 4.916 1.245 -1.923 186 1HB ASP 19 2HB ASP 19 5.504 3.420 -0.071 187 2HB ASP 19 1HB ASP 19 4.113 2.461 0.424 188 H ARG 20 H ARG 20 3.363 4.422 -1.812 189 HA ARG 20 HA ARG 20 0.770 3.617 -1.218 190 1HB ARG 20 2HB ARG 20 0.149 5.774 -1.690 191 2HB ARG 20 1HB ARG 20 1.887 5.998 -1.537 192 1HG ARG 20 2HG ARG 20 1.527 5.349 -4.200 193 2HG ARG 20 1HG ARG 20 0.171 6.415 -3.817 194 1HD ARG 20 2HD ARG 20 3.022 7.039 -3.088 195 2HD ARG 20 1HD ARG 20 2.284 7.553 -4.611 196 HE ARG 20 HE ARG 20 1.941 8.761 -2.067 197 1HH1 ARG 20 1HH1 ARG 20 0.222 7.991 -4.999 198 2HH1 ARG 20 2HH1 ARG 20 -0.902 9.297 -4.835 199 1HH2 ARG 20 1HH2 ARG 20 0.464 10.484 -1.844 200 2HH2 ARG 20 2HH2 ARG 20 -0.765 10.714 -3.042 201 H LYS 21 H LYS 21 2.606 3.218 -4.053 202 HA LYS 21 HA LYS 21 0.254 2.569 -5.673 203 1HB LYS 21 2HB LYS 21 2.858 2.178 -6.937 204 2HB LYS 21 1HB LYS 21 1.479 3.115 -7.487 205 1HG LYS 21 2HG LYS 21 2.190 5.037 -6.366 206 2HG LYS 21 1HG LYS 21 3.307 4.136 -5.337 207 1HD LYS 21 2HD LYS 21 4.837 4.906 -6.815 208 2HD LYS 21 1HD LYS 21 4.302 3.513 -7.756 209 1HE LYS 21 2HE LYS 21 3.272 4.787 -9.302 210 2HE LYS 21 1HE LYS 21 2.690 5.944 -8.107 211 1HZ LYS 21 1HZ LYS 21 5.268 6.506 -8.053 212 2HZ LYS 21 2HZ LYS 21 4.203 7.244 -9.139 213 3HZ LYS 21 3HZ LYS 21 5.163 5.949 -9.647 214 H GLU 22 H GLU 22 2.929 1.167 -4.000 215 HA GLU 22 HA GLU 22 2.738 -1.425 -5.202 216 1HB GLU 22 2HB GLU 22 4.217 -0.214 -2.888 217 2HB GLU 22 1HB GLU 22 4.183 -1.952 -3.104 218 1HG GLU 22 2HG GLU 22 4.925 -0.359 -5.466 219 2HG GLU 22 1HG GLU 22 6.073 -0.361 -4.121 220 H PHE 23 H PHE 23 0.715 0.242 -3.289 221 HA PHE 23 HA PHE 23 -0.150 -2.088 -1.714 222 1HB PHE 23 2HB PHE 23 0.413 -0.127 -0.371 223 2HB PHE 23 1HB PHE 23 -0.704 0.858 -1.303 224 HD1 PHE 23 1HD PHE 23 -0.764 -2.348 0.613 225 HD2 PHE 23 2HD PHE 23 -2.698 1.330 -0.300 226 HE1 PHE 23 1HE PHE 23 -2.553 -2.899 2.209 227 HE2 PHE 23 2HE PHE 23 -4.492 0.787 1.291 228 HZ PHE 23 HZ PHE 23 -4.420 -1.329 2.550 229 H ALA 24 H ALA 24 -0.969 -0.014 -4.316 230 HA ALA 24 HA ALA 24 -3.817 -0.489 -4.162 231 1HB ALA 24 1HB ALA 24 -3.344 1.578 -5.101 232 2HB ALA 24 2HB ALA 24 -3.702 0.583 -6.514 233 3HB ALA 24 3HB ALA 24 -2.028 0.943 -6.091 234 H LYS 25 H LYS 25 -2.656 -2.861 -4.066 235 HA LYS 25 HA LYS 25 -2.373 -4.156 -6.609 236 1HB LYS 25 2HB LYS 25 -2.698 -6.215 -4.976 237 2HB LYS 25 1HB LYS 25 -1.206 -5.283 -4.960 238 1HG LYS 25 2HG LYS 25 -1.506 -4.981 -2.782 239 2HG LYS 25 1HG LYS 25 -2.897 -3.957 -3.173 240 1HD LYS 25 2HD LYS 25 -3.505 -5.699 -1.572 241 2HD LYS 25 1HD LYS 25 -4.358 -5.916 -3.101 242 1HE LYS 25 2HE LYS 25 -1.783 -7.333 -2.853 243 2HE LYS 25 1HE LYS 25 -3.071 -7.897 -1.788 244 1HZ LYS 25 1HZ LYS 25 -3.331 -9.152 -3.706 245 2HZ LYS 25 2HZ LYS 25 -3.007 -7.853 -4.739 246 3HZ LYS 25 3HZ LYS 25 -4.477 -7.923 -3.906 247 H PHE 26 H PHE 26 -4.672 -4.501 -3.971 248 HA PHE 26 HA PHE 26 -6.801 -5.219 -5.865 249 1HB PHE 26 2HB PHE 26 -6.553 -7.047 -4.404 250 2HB PHE 26 1HB PHE 26 -6.189 -6.002 -3.035 251 HD1 PHE 26 1HD PHE 26 -7.837 -5.458 -1.510 252 HD2 PHE 26 2HD PHE 26 -8.950 -6.986 -5.321 253 HE1 PHE 26 1HE PHE 26 -10.177 -5.610 -0.761 254 HE2 PHE 26 2HE PHE 26 -11.292 -7.140 -4.581 255 HZ PHE 26 HZ PHE 26 -11.908 -6.451 -2.299 256 H GLU 27 H GLU 27 -5.514 -2.977 -3.805 257 HA GLU 27 HA GLU 27 -7.715 -1.706 -2.653 258 1HB GLU 27 2HB GLU 27 -4.881 -1.142 -3.181 259 2HB GLU 27 1HB GLU 27 -5.883 0.285 -3.052 260 1HG GLU 27 2HG GLU 27 -5.367 -1.833 -1.017 261 2HG GLU 27 1HG GLU 27 -5.084 -0.094 -0.895 262 H GLU 28 H GLU 28 -6.408 -1.642 -5.871 263 HA GLU 28 HA GLU 28 -7.687 0.756 -6.732 264 1HB GLU 28 2HB GLU 28 -7.126 -0.016 -9.001 265 2HB GLU 28 1HB GLU 28 -5.745 -0.129 -7.918 266 1HG GLU 28 2HG GLU 28 -5.886 -2.463 -7.798 267 2HG GLU 28 1HG GLU 28 -7.519 -2.483 -8.461 268 H GLU 29 H GLU 29 -8.845 -2.222 -5.862 269 HA GLU 29 HA GLU 29 -11.227 -2.011 -7.577 270 1HB GLU 29 2HB GLU 29 -10.600 -4.428 -5.917 271 2HB GLU 29 1HB GLU 29 -11.520 -4.318 -7.411 272 1HG GLU 29 2HG GLU 29 -8.727 -3.544 -7.711 273 2HG GLU 29 1HG GLU 29 -8.948 -5.209 -7.172 274 H ARG 30 H ARG 30 -10.056 -2.309 -4.284 275 HA ARG 30 HA ARG 30 -12.613 -2.468 -3.037 276 1HB ARG 30 2HB ARG 30 -10.008 -2.819 -2.223 277 2HB ARG 30 1HB ARG 30 -10.446 -1.307 -1.440 278 1HG ARG 30 2HG ARG 30 -12.174 -3.747 -1.235 279 2HG ARG 30 1HG ARG 30 -10.818 -3.465 -0.143 280 1HD ARG 30 2HD ARG 30 -13.370 -1.931 -0.435 281 2HD ARG 30 1HD ARG 30 -12.610 -2.567 1.022 282 HE ARG 30 HE ARG 30 -11.071 -0.516 -0.274 283 1HH1 ARG 30 1HH1 ARG 30 -13.642 -1.158 1.989 284 2HH1 ARG 30 2HH1 ARG 30 -13.455 0.348 2.823 285 1HH2 ARG 30 1HH2 ARG 30 -10.821 1.467 0.815 286 2HH2 ARG 30 2HH2 ARG 30 -11.852 1.841 2.156 287 H ALA 31 H ALA 31 -10.966 0.034 -4.548 288 HA ALA 31 HA ALA 31 -12.585 2.060 -3.158 289 1HB ALA 31 1HB ALA 31 -9.745 1.988 -3.744 290 2HB ALA 31 2HB ALA 31 -10.650 3.071 -2.685 291 3HB ALA 31 3HB ALA 31 -10.520 3.427 -4.408 292 H ARG 32 H ARG 32 -12.535 0.286 -5.798 293 HA ARG 32 HA ARG 32 -13.119 2.413 -7.721 294 1HB ARG 32 2HB ARG 32 -11.826 -0.004 -7.985 295 2HB ARG 32 1HB ARG 32 -13.430 -0.358 -8.614 296 1HG ARG 32 2HG ARG 32 -11.888 0.334 -10.376 297 2HG ARG 32 1HG ARG 32 -13.236 1.460 -10.206 298 1HD ARG 32 2HD ARG 32 -11.542 2.671 -8.572 299 2HD ARG 32 1HD ARG 32 -10.355 1.827 -9.567 300 HE ARG 32 HE ARG 32 -11.853 4.118 -10.297 301 1HH1 ARG 32 1HH1 ARG 32 -10.568 1.146 -11.590 302 2HH1 ARG 32 2HH1 ARG 32 -10.455 1.752 -13.209 303 1HH2 ARG 32 1HH2 ARG 32 -11.710 4.918 -12.425 304 2HH2 ARG 32 2HH2 ARG 32 -11.102 3.896 -13.683 305 H ALA 33 H ALA 33 -14.619 -0.642 -6.657 306 HA ALA 33 HA ALA 33 -17.066 -0.293 -7.860 307 1HB ALA 33 1HB ALA 33 -16.212 -2.335 -6.637 308 2HB ALA 33 2HB ALA 33 -17.921 -1.956 -6.418 309 3HB ALA 33 3HB ALA 33 -16.760 -1.560 -5.151 310 H LYS 34 H LYS 34 -15.787 1.555 -5.269 311 HA LYS 34 HA LYS 34 -18.247 2.247 -4.033 312 1HB LYS 34 2HB LYS 34 -16.491 4.456 -3.793 313 2HB LYS 34 1HB LYS 34 -16.910 3.265 -2.578 314 1HG LYS 34 2HG LYS 34 -14.992 2.020 -2.955 315 2HG LYS 34 1HG LYS 34 -14.722 2.706 -4.563 316 1HD LYS 34 2HD LYS 34 -13.120 3.718 -3.158 317 2HD LYS 34 1HD LYS 34 -14.376 4.932 -3.400 318 1HE LYS 34 2HE LYS 34 -15.290 3.661 -1.181 319 2HE LYS 34 1HE LYS 34 -13.547 3.523 -0.957 320 1HZ LYS 34 1HZ LYS 34 -15.243 5.861 -0.833 321 2HZ LYS 34 2HZ LYS 34 -13.796 6.090 -1.677 322 3HZ LYS 34 3HZ LYS 34 -13.763 5.555 -0.073 323 H TRP 35 H TRP 35 -16.197 4.060 -6.296 324 HA TRP 35 HA TRP 35 -18.408 5.836 -6.925 325 1HB TRP 35 2HB TRP 35 -16.667 6.966 -8.359 326 2HB TRP 35 1HB TRP 35 -16.302 6.933 -6.639 327 HD1 TRP 35 HD TRP 35 -15.670 4.206 -9.304 328 HE1 TRP 35 1HE TRP 35 -13.188 3.675 -9.304 329 HE3 TRP 35 3HE TRP 35 -14.091 7.623 -5.848 330 HZ2 TRP 35 2HZ TRP 35 -10.823 4.549 -8.019 331 HZ3 TRP 35 3HZ TRP 35 -11.697 7.702 -5.284 332 HH2 TRP 35 HH TRP 35 -10.102 6.193 -6.346 333 H ASP 36 H ASP 36 -17.305 2.903 -7.948 334 HA ASP 36 HA ASP 36 -18.277 3.299 -10.697 335 1HB ASP 36 2HB ASP 36 -15.930 1.989 -9.626 336 2HB ASP 36 1HB ASP 36 -16.907 0.847 -10.554 Start of MODEL 20 1 1H MET 1 1HT MET 1 15.150 -5.419 -2.001 2 2H MET 1 2HT MET 1 16.339 -5.580 -3.194 3 3H MET 1 3HT MET 1 15.052 -4.506 -3.421 4 HA MET 1 HA MET 1 17.356 -3.617 -2.687 5 1HB MET 1 2HB MET 1 14.764 -2.777 -1.385 6 2HB MET 1 1HB MET 1 16.206 -1.781 -1.517 7 1HG MET 1 2HG MET 1 14.654 -2.856 -3.859 8 2HG MET 1 1HG MET 1 14.455 -1.245 -3.176 9 1HE MET 1 1HE MET 1 16.981 -0.521 -2.234 10 2HE MET 1 2HE MET 1 17.013 0.707 -3.499 11 3HE MET 1 3HE MET 1 18.368 -0.407 -3.320 12 H TRP 2 H TRP 2 15.497 -3.188 0.157 13 HA TRP 2 HA TRP 2 17.492 -4.666 1.729 14 1HB TRP 2 2HB TRP 2 16.209 -2.550 3.174 15 2HB TRP 2 1HB TRP 2 17.918 -2.731 2.801 16 HD1 TRP 2 HD TRP 2 18.885 -1.166 0.937 17 HE1 TRP 2 1HE TRP 2 17.884 0.719 -0.506 18 HE3 TRP 2 3HE TRP 2 13.912 -1.855 1.965 19 HZ2 TRP 2 2HZ TRP 2 15.313 1.755 -1.079 20 HZ3 TRP 2 3HZ TRP 2 12.283 -0.334 0.921 21 HH2 TRP 2 HH TRP 2 12.990 1.413 -0.575 22 H LYS 3 H LYS 3 14.657 -3.000 2.924 23 HA LYS 3 HA LYS 3 13.593 -5.500 4.008 24 1HB LYS 3 2HB LYS 3 12.195 -4.123 5.388 25 2HB LYS 3 1HB LYS 3 13.819 -3.451 5.470 26 1HG LYS 3 2HG LYS 3 12.039 -2.323 3.404 27 2HG LYS 3 1HG LYS 3 11.592 -1.996 5.077 28 1HD LYS 3 2HD LYS 3 13.748 -1.000 5.505 29 2HD LYS 3 1HD LYS 3 14.313 -1.461 3.901 30 1HE LYS 3 2HE LYS 3 13.753 0.855 3.858 31 2HE LYS 3 1HE LYS 3 12.567 -0.041 2.899 32 1HZ LYS 3 1HZ LYS 3 11.067 1.049 4.118 33 2HZ LYS 3 2HZ LYS 3 12.201 1.546 5.269 34 3HZ LYS 3 3HZ LYS 3 11.483 0.021 5.395 35 H VAL 4 H VAL 4 13.216 -3.195 1.605 36 HA VAL 4 HA VAL 4 10.685 -2.945 0.913 37 HB VAL 4 HB VAL 4 12.926 -2.303 -0.301 38 1HG1 VAL 4 1HG1 VAL 4 12.024 -4.804 -1.699 39 2HG1 VAL 4 2HG1 VAL 4 13.650 -4.338 -1.197 40 3HG1 VAL 4 3HG1 VAL 4 12.889 -3.535 -2.570 41 1HG2 VAL 4 1HG2 VAL 4 11.669 -1.238 -1.868 42 2HG2 VAL 4 2HG2 VAL 4 10.418 -1.667 -0.704 43 3HG2 VAL 4 3HG2 VAL 4 10.640 -2.639 -2.159 44 H GLY 5 H GLY 5 12.639 -5.837 0.291 45 1HA GLY 5 2HA GLY 5 11.196 -7.272 -1.419 46 2HA GLY 5 1HA GLY 5 11.884 -8.027 0.011 47 H PHE 6 H PHE 6 10.301 -6.989 1.989 48 HA PHE 6 HA PHE 6 7.626 -7.843 1.162 49 1HB PHE 6 2HB PHE 6 7.379 -8.629 3.598 50 2HB PHE 6 1HB PHE 6 8.365 -9.619 2.526 51 HD1 PHE 6 1HD PHE 6 10.579 -10.106 3.060 52 HD2 PHE 6 2HD PHE 6 8.560 -6.984 5.129 53 HE1 PHE 6 1HE PHE 6 12.461 -9.939 4.635 54 HE2 PHE 6 2HE PHE 6 10.440 -6.809 6.707 55 HZ PHE 6 HZ PHE 6 12.394 -8.288 6.460 56 H PHE 7 H PHE 7 9.244 -5.225 1.769 57 HA PHE 7 HA PHE 7 7.422 -4.055 3.714 58 1HB PHE 7 2HB PHE 7 10.047 -3.733 3.510 59 2HB PHE 7 1HB PHE 7 9.548 -2.461 2.399 60 HD1 PHE 7 1HD PHE 7 8.139 -3.637 5.651 61 HD2 PHE 7 2HD PHE 7 9.764 -0.425 3.385 62 HE1 PHE 7 1HE PHE 7 7.688 -2.099 7.517 63 HE2 PHE 7 2HE PHE 7 9.330 1.119 5.245 64 HZ PHE 7 HZ PHE 7 8.283 0.285 7.315 65 H LYS 8 H LYS 8 8.414 -3.610 0.367 66 HA LYS 8 HA LYS 8 6.877 -1.327 -0.082 67 1HB LYS 8 2HB LYS 8 7.117 -1.905 -2.502 68 2HB LYS 8 1HB LYS 8 8.604 -1.795 -1.568 69 1HG LYS 8 2HG LYS 8 7.955 -3.801 -3.312 70 2HG LYS 8 1HG LYS 8 9.193 -3.857 -2.074 71 1HD LYS 8 2HD LYS 8 8.170 -5.705 -1.389 72 2HD LYS 8 1HD LYS 8 6.988 -4.607 -0.670 73 1HE LYS 8 2HE LYS 8 5.564 -5.868 -1.858 74 2HE LYS 8 1HE LYS 8 5.988 -4.729 -3.134 75 1HZ LYS 8 1HZ LYS 8 6.591 -7.545 -2.900 76 2HZ LYS 8 2HZ LYS 8 7.904 -6.595 -3.386 77 3HZ LYS 8 3HZ LYS 8 6.470 -6.575 -4.282 78 H ARG 9 H ARG 9 5.860 -4.379 0.610 79 HA ARG 9 HA ARG 9 3.252 -3.966 -0.681 80 1HB ARG 9 2HB ARG 9 3.630 -6.103 -1.361 81 2HB ARG 9 1HB ARG 9 4.891 -6.353 -0.167 82 1HG ARG 9 2HG ARG 9 2.356 -6.268 1.149 83 2HG ARG 9 1HG ARG 9 2.290 -7.412 -0.193 84 1HD ARG 9 2HD ARG 9 4.762 -7.627 1.311 85 2HD ARG 9 1HD ARG 9 3.344 -7.874 2.329 86 HE ARG 9 HE ARG 9 2.790 -9.451 0.246 87 1HH1 ARG 9 1HH1 ARG 9 5.694 -9.084 2.137 88 2HH1 ARG 9 2HH1 ARG 9 6.199 -10.726 1.915 89 1HH2 ARG 9 1HH2 ARG 9 3.448 -11.613 -0.049 90 2HH2 ARG 9 2HH2 ARG 9 4.924 -12.162 0.673 91 H ASN 10 H ASN 10 5.072 -4.068 2.147 92 HA ASN 10 HA ASN 10 2.799 -4.328 3.953 93 1HB ASN 10 2HB ASN 10 4.708 -5.636 4.554 94 2HB ASN 10 1HB ASN 10 5.790 -4.255 4.348 95 1HD2 ASN 10 1HD2 ASN 10 6.569 -4.571 6.454 96 2HD2 ASN 10 2HD2 ASN 10 5.654 -4.094 7.840 97 H ARG 11 H ARG 11 5.635 -2.380 4.587 98 HA ARG 11 HA ARG 11 5.896 -0.245 5.289 99 1HB ARG 11 2HB ARG 11 5.489 0.293 2.974 100 2HB ARG 11 1HB ARG 11 3.756 0.218 3.227 101 1HG ARG 11 2HG ARG 11 4.934 2.517 3.094 102 2HG ARG 11 1HG ARG 11 3.682 2.253 4.306 103 1HD ARG 11 2HD ARG 11 5.461 3.371 5.399 104 2HD ARG 11 1HD ARG 11 5.530 1.690 5.924 105 HE ARG 11 HE ARG 11 7.343 1.436 4.220 106 1HH1 ARG 11 1HH1 ARG 11 6.619 4.549 5.612 107 2HH1 ARG 11 2HH1 ARG 11 8.226 5.161 5.399 108 1HH2 ARG 11 1HH2 ARG 11 9.460 2.231 3.941 109 2HH2 ARG 11 2HH2 ARG 11 9.840 3.844 4.448 110 1H LYS 12 1HT LYS 12 15.251 5.321 -0.966 111 2H LYS 12 2HT LYS 12 16.303 4.004 -1.108 112 3H LYS 12 3HT LYS 12 16.588 5.190 0.063 113 HA LYS 12 HA LYS 12 14.706 2.989 0.052 114 1HB LYS 12 2HB LYS 12 16.760 3.001 1.412 115 2HB LYS 12 1HB LYS 12 16.156 4.414 2.272 116 1HG LYS 12 2HG LYS 12 14.073 2.609 2.455 117 2HG LYS 12 1HG LYS 12 15.523 1.609 2.635 118 1HD LYS 12 2HD LYS 12 15.879 2.379 4.685 119 2HD LYS 12 1HD LYS 12 15.761 4.053 4.150 120 1HE LYS 12 2HE LYS 12 13.180 2.721 4.237 121 2HE LYS 12 1HE LYS 12 13.988 2.721 5.804 122 1HZ LYS 12 1HZ LYS 12 12.820 4.699 5.801 123 2HZ LYS 12 2HZ LYS 12 13.127 5.017 4.169 124 3HZ LYS 12 3HZ LYS 12 14.361 5.199 5.312 125 H LEU 13 H LEU 13 14.366 6.297 0.055 126 HA LEU 13 HA LEU 13 12.095 6.152 1.870 127 1HB LEU 13 2HB LEU 13 13.138 8.582 0.416 128 2HB LEU 13 1HB LEU 13 12.023 8.554 1.771 129 HG LEU 13 HG LEU 13 13.924 9.101 2.902 130 1HD1 LEU 13 1HD1 LEU 13 14.085 6.084 2.712 131 2HD1 LEU 13 2HD1 LEU 13 13.312 7.066 3.966 132 3HD1 LEU 13 3HD1 LEU 13 15.068 7.056 3.818 133 1HD2 LEU 13 1HD2 LEU 13 15.683 7.386 1.178 134 2HD2 LEU 13 2HD2 LEU 13 16.127 8.755 2.198 135 3HD2 LEU 13 3HD2 LEU 13 15.223 9.022 0.707 136 H LEU 14 H LEU 14 12.492 5.052 -0.939 137 HA LEU 14 HA LEU 14 10.482 6.323 -2.544 138 1HB LEU 14 2HB LEU 14 10.733 4.225 -3.931 139 2HB LEU 14 1HB LEU 14 12.191 5.177 -3.728 140 HG LEU 14 HG LEU 14 11.974 3.122 -1.675 141 1HD1 LEU 14 1HD1 LEU 14 12.694 1.589 -3.911 142 2HD1 LEU 14 2HD1 LEU 14 11.166 2.367 -4.321 143 3HD1 LEU 14 3HD1 LEU 14 11.291 1.382 -2.864 144 1HD2 LEU 14 1HD2 LEU 14 14.119 2.973 -3.656 145 2HD2 LEU 14 2HD2 LEU 14 14.200 3.146 -1.902 146 3HD2 LEU 14 3HD2 LEU 14 13.939 4.564 -2.917 147 H ILE 15 H ILE 15 10.586 4.211 0.051 148 HA ILE 15 HA ILE 15 8.188 2.731 -0.480 149 HB ILE 15 HB ILE 15 9.550 3.052 2.187 150 1HG1 ILE 15 2HG1 ILE 15 11.213 2.500 0.440 151 2HG1 ILE 15 1HG1 ILE 15 11.007 1.213 1.624 152 1HG2 ILE 15 1HG2 ILE 15 8.390 0.491 1.250 153 2HG2 ILE 15 2HG2 ILE 15 7.257 1.788 1.641 154 3HG2 ILE 15 3HG2 ILE 15 8.392 1.212 2.862 155 1HD1 ILE 15 1HD1 ILE 15 10.362 -0.234 0.081 156 2HD1 ILE 15 2HD1 ILE 15 10.971 0.930 -1.097 157 3HD1 ILE 15 3HD1 ILE 15 9.258 0.918 -0.672 158 H THR 16 H THR 16 8.315 5.808 -0.249 159 HA THR 16 HA THR 16 6.405 6.248 1.914 160 HB THR 16 HB THR 16 7.692 8.238 0.034 161 HG1 THR 16 1HG THR 16 8.454 7.182 2.510 162 1HG2 THR 16 1HG2 THR 16 5.568 8.560 1.895 163 2HG2 THR 16 2HG2 THR 16 6.363 9.774 0.894 164 3HG2 THR 16 3HG2 THR 16 6.993 9.404 2.498 165 H ILE 17 H ILE 17 6.675 6.710 -1.603 166 HA ILE 17 HA ILE 17 3.735 6.822 -1.710 167 HB ILE 17 HB ILE 17 5.103 8.889 -2.456 168 1HG1 ILE 17 2HG1 ILE 17 2.627 8.301 -2.860 169 2HG1 ILE 17 1HG1 ILE 17 3.357 9.532 -3.884 170 1HG2 ILE 17 1HG2 ILE 17 5.601 6.983 -4.711 171 2HG2 ILE 17 2HG2 ILE 17 6.752 8.010 -3.851 172 3HG2 ILE 17 3HG2 ILE 17 5.588 8.729 -4.966 173 1HD1 ILE 17 1HD1 ILE 17 3.203 6.665 -4.753 174 2HD1 ILE 17 2HD1 ILE 17 3.417 8.116 -5.735 175 3HD1 ILE 17 3HD1 ILE 17 1.857 7.784 -4.982 176 H HIS 18 H HIS 18 6.660 5.550 -3.249 177 HA HIS 18 HA HIS 18 5.429 4.201 -5.368 178 1HB HIS 18 2HB HIS 18 7.577 3.813 -5.818 179 2HB HIS 18 1HB HIS 18 8.048 4.286 -4.193 180 HD1 HIS 18 1HD HIS 18 8.009 2.244 -2.393 181 HD2 HIS 18 2HD HIS 18 7.928 1.199 -6.414 182 HE1 HIS 18 1HE HIS 18 8.688 -0.173 -2.473 183 HE2 HIS 18 2HE HIS 18 8.706 -0.763 -4.921 184 H ASP 19 H ASP 19 5.477 3.570 -2.003 185 HA ASP 19 HA ASP 19 4.768 0.794 -2.199 186 1HB ASP 19 2HB ASP 19 5.889 2.022 -0.240 187 2HB ASP 19 1HB ASP 19 4.265 2.544 0.196 188 H ARG 20 H ARG 20 3.121 3.870 -1.965 189 HA ARG 20 HA ARG 20 0.533 2.935 -1.409 190 1HB ARG 20 2HB ARG 20 1.756 5.414 -2.365 191 2HB ARG 20 1HB ARG 20 0.119 5.161 -2.954 192 1HG ARG 20 2HG ARG 20 -0.219 6.355 -1.008 193 2HG ARG 20 1HG ARG 20 -0.448 4.686 -0.479 194 1HD ARG 20 2HD ARG 20 2.109 4.807 0.037 195 2HD ARG 20 1HD ARG 20 1.830 6.548 0.037 196 HE ARG 20 HE ARG 20 0.127 6.101 1.796 197 1HH1 ARG 20 1HH1 ARG 20 2.716 3.835 1.239 198 2HH1 ARG 20 2HH1 ARG 20 2.679 3.201 2.850 199 1HH2 ARG 20 1HH2 ARG 20 0.073 5.271 3.918 200 2HH2 ARG 20 2HH2 ARG 20 1.177 4.016 4.372 201 H LYS 21 H LYS 21 2.496 2.904 -4.171 202 HA LYS 21 HA LYS 21 0.339 2.308 -6.030 203 1HB LYS 21 2HB LYS 21 1.800 2.915 -7.666 204 2HB LYS 21 1HB LYS 21 2.708 3.619 -6.336 205 1HG LYS 21 2HG LYS 21 4.195 1.831 -6.227 206 2HG LYS 21 1HG LYS 21 3.153 0.807 -7.227 207 1HD LYS 21 2HD LYS 21 3.978 3.313 -8.510 208 2HD LYS 21 1HD LYS 21 5.308 2.212 -8.145 209 1HE LYS 21 2HE LYS 21 4.781 0.999 -9.925 210 2HE LYS 21 1HE LYS 21 3.199 0.665 -9.220 211 1HZ LYS 21 1HZ LYS 21 3.490 3.262 -10.483 212 2HZ LYS 21 2HZ LYS 21 2.200 2.168 -10.538 213 3HZ LYS 21 3HZ LYS 21 3.549 1.936 -11.533 214 H GLU 22 H GLU 22 3.034 0.829 -4.412 215 HA GLU 22 HA GLU 22 2.725 -1.725 -5.651 216 1HB GLU 22 2HB GLU 22 4.322 -0.705 -3.300 217 2HB GLU 22 1HB GLU 22 4.438 -2.337 -3.932 218 1HG GLU 22 2HG GLU 22 4.842 -0.004 -5.742 219 2HG GLU 22 1HG GLU 22 6.142 -0.518 -4.658 220 H PHE 23 H PHE 23 0.782 -0.121 -3.742 221 HA PHE 23 HA PHE 23 -0.035 -2.446 -2.134 222 1HB PHE 23 2HB PHE 23 0.792 -0.618 -0.733 223 2HB PHE 23 1HB PHE 23 -0.315 0.500 -1.509 224 HD1 PHE 23 1HD PHE 23 -1.868 1.185 0.022 225 HD2 PHE 23 2HD PHE 23 -0.797 -2.931 -0.119 226 HE1 PHE 23 1HE PHE 23 -3.577 0.687 1.717 227 HE2 PHE 23 2HE PHE 23 -2.507 -3.437 1.577 228 HZ PHE 23 HZ PHE 23 -3.899 -1.627 2.499 229 H ALA 24 H ALA 24 -0.835 -0.280 -4.613 230 HA ALA 24 HA ALA 24 -3.702 -0.441 -4.268 231 1HB ALA 24 1HB ALA 24 -3.087 1.578 -5.231 232 2HB ALA 24 2HB ALA 24 -3.624 0.635 -6.622 233 3HB ALA 24 3HB ALA 24 -1.901 0.826 -6.299 234 H LYS 25 H LYS 25 -3.004 -2.851 -4.172 235 HA LYS 25 HA LYS 25 -2.974 -4.233 -6.707 236 1HB LYS 25 2HB LYS 25 -3.354 -6.201 -5.013 237 2HB LYS 25 1HB LYS 25 -1.797 -5.381 -5.041 238 1HG LYS 25 2HG LYS 25 -3.382 -3.915 -3.240 239 2HG LYS 25 1HG LYS 25 -3.689 -5.625 -2.886 240 1HD LYS 25 2HD LYS 25 -1.054 -4.167 -2.888 241 2HD LYS 25 1HD LYS 25 -1.863 -4.945 -1.530 242 1HE LYS 25 2HE LYS 25 -0.677 -6.326 -3.938 243 2HE LYS 25 1HE LYS 25 -0.007 -6.308 -2.306 244 1HZ LYS 25 1HZ LYS 25 -1.123 -8.339 -2.502 245 2HZ LYS 25 2HZ LYS 25 -2.468 -7.644 -3.254 246 3HZ LYS 25 3HZ LYS 25 -2.181 -7.364 -1.611 247 H PHE 26 H PHE 26 -5.041 -3.883 -3.928 248 HA PHE 26 HA PHE 26 -7.441 -4.451 -5.512 249 1HB PHE 26 2HB PHE 26 -8.178 -5.834 -3.876 250 2HB PHE 26 1HB PHE 26 -6.478 -5.936 -3.468 251 HD1 PHE 26 1HD PHE 26 -9.730 -5.003 -2.315 252 HD2 PHE 26 2HD PHE 26 -5.563 -4.398 -1.696 253 HE1 PHE 26 1HE PHE 26 -10.192 -4.146 -0.055 254 HE2 PHE 26 2HE PHE 26 -6.017 -3.539 0.564 255 HZ PHE 26 HZ PHE 26 -8.335 -3.414 1.387 256 H GLU 27 H GLU 27 -5.657 -2.432 -3.503 257 HA GLU 27 HA GLU 27 -7.488 -0.847 -2.202 258 1HB GLU 27 2HB GLU 27 -4.703 -0.666 -3.108 259 2HB GLU 27 1HB GLU 27 -5.477 0.881 -2.866 260 1HG GLU 27 2HG GLU 27 -5.114 -1.327 -0.877 261 2HG GLU 27 1HG GLU 27 -4.379 0.280 -0.849 262 H GLU 28 H GLU 28 -6.706 -1.037 -5.560 263 HA GLU 28 HA GLU 28 -7.646 1.506 -6.383 264 1HB GLU 28 2HB GLU 28 -7.904 0.347 -8.629 265 2HB GLU 28 1HB GLU 28 -6.293 0.300 -7.925 266 1HG GLU 28 2HG GLU 28 -6.312 -1.932 -7.715 267 2HG GLU 28 1HG GLU 28 -8.000 -1.971 -7.216 268 H GLU 29 H GLU 29 -9.143 -1.640 -5.920 269 HA GLU 29 HA GLU 29 -11.725 -0.810 -6.864 270 1HB GLU 29 2HB GLU 29 -12.028 -3.026 -6.967 271 2HB GLU 29 1HB GLU 29 -10.452 -3.267 -6.227 272 1HG GLU 29 2HG GLU 29 -11.676 -2.932 -3.999 273 2HG GLU 29 1HG GLU 29 -13.148 -3.202 -4.929 274 H ARG 30 H ARG 30 -10.111 -1.171 -3.760 275 HA ARG 30 HA ARG 30 -12.379 -0.716 -2.121 276 1HB ARG 30 2HB ARG 30 -9.752 -1.432 -1.687 277 2HB ARG 30 1HB ARG 30 -9.811 0.200 -1.035 278 1HG ARG 30 2HG ARG 30 -11.766 -1.951 -0.268 279 2HG ARG 30 1HG ARG 30 -10.263 -1.645 0.602 280 1HD ARG 30 2HD ARG 30 -12.339 0.477 0.110 281 2HD ARG 30 1HD ARG 30 -12.332 -0.546 1.545 282 HE ARG 30 HE ARG 30 -9.879 0.431 1.658 283 1HH1 ARG 30 1HH1 ARG 30 -12.873 2.055 0.913 284 2HH1 ARG 30 2HH1 ARG 30 -12.357 3.577 1.558 285 1HH2 ARG 30 1HH2 ARG 30 -9.193 2.435 2.510 286 2HH2 ARG 30 2HH2 ARG 30 -10.267 3.794 2.465 287 H ALA 31 H ALA 31 -10.387 1.301 -4.017 288 HA ALA 31 HA ALA 31 -11.432 3.719 -2.716 289 1HB ALA 31 1HB ALA 31 -9.176 3.665 -4.700 290 2HB ALA 31 2HB ALA 31 -8.907 3.358 -2.983 291 3HB ALA 31 3HB ALA 31 -9.571 4.907 -3.511 292 H ARG 32 H ARG 32 -12.430 1.736 -4.905 293 HA ARG 32 HA ARG 32 -13.097 3.732 -6.963 294 1HB ARG 32 2HB ARG 32 -12.125 1.172 -7.259 295 2HB ARG 32 1HB ARG 32 -13.855 0.946 -7.464 296 1HG ARG 32 2HG ARG 32 -12.617 1.327 -9.582 297 2HG ARG 32 1HG ARG 32 -13.927 2.471 -9.290 298 1HD ARG 32 2HD ARG 32 -11.993 3.896 -8.207 299 2HD ARG 32 1HD ARG 32 -10.978 2.902 -9.253 300 HE ARG 32 HE ARG 32 -13.097 4.731 -10.163 301 1HH1 ARG 32 1HH1 ARG 32 -10.246 2.824 -10.779 302 2HH1 ARG 32 2HH1 ARG 32 -10.007 3.463 -12.371 303 1HH2 ARG 32 1HH2 ARG 32 -12.794 5.574 -12.254 304 2HH2 ARG 32 2HH2 ARG 32 -11.455 5.030 -13.210 305 H ALA 33 H ALA 33 -14.626 0.891 -5.455 306 HA ALA 33 HA ALA 33 -17.229 1.437 -6.060 307 1HB ALA 33 1HB ALA 33 -15.987 -0.449 -4.574 308 2HB ALA 33 2HB ALA 33 -17.737 -0.260 -4.675 309 3HB ALA 33 3HB ALA 33 -16.851 0.440 -3.321 310 H LYS 34 H LYS 34 -15.222 3.148 -3.820 311 HA LYS 34 HA LYS 34 -17.112 4.277 -2.115 312 1HB LYS 34 2HB LYS 34 -15.501 6.293 -2.144 313 2HB LYS 34 1HB LYS 34 -14.892 4.757 -1.546 314 1HG LYS 34 2HG LYS 34 -13.760 4.362 -3.651 315 2HG LYS 34 1HG LYS 34 -14.468 5.828 -4.329 316 1HD LYS 34 2HD LYS 34 -12.129 6.146 -3.599 317 2HD LYS 34 1HD LYS 34 -13.260 7.198 -2.748 318 1HE LYS 34 2HE LYS 34 -13.177 5.840 -0.794 319 2HE LYS 34 1HE LYS 34 -12.303 4.565 -1.642 320 1HZ LYS 34 1HZ LYS 34 -10.963 7.105 -1.715 321 2HZ LYS 34 2HZ LYS 34 -10.365 5.580 -1.295 322 3HZ LYS 34 3HZ LYS 34 -11.175 6.515 -0.143 323 H TRP 35 H TRP 35 -15.800 5.601 -5.120 324 HA TRP 35 HA TRP 35 -18.059 7.435 -5.323 325 1HB TRP 35 2HB TRP 35 -16.695 8.422 -7.180 326 2HB TRP 35 1HB TRP 35 -15.918 8.488 -5.606 327 HD1 TRP 35 HD TRP 35 -15.977 5.653 -8.248 328 HE1 TRP 35 1HE TRP 35 -13.570 5.063 -8.801 329 HE3 TRP 35 3HE TRP 35 -13.590 9.077 -5.306 330 HZ2 TRP 35 2HZ TRP 35 -10.958 5.900 -8.101 331 HZ3 TRP 35 3HZ TRP 35 -11.135 9.105 -5.292 332 HH2 TRP 35 HH TRP 35 -9.843 7.551 -6.664 333 H ASP 36 H ASP 36 -17.291 4.400 -6.193 334 HA ASP 36 HA ASP 36 -18.758 4.528 -8.747 335 1HB ASP 36 2HB ASP 36 -16.319 3.202 -7.993 336 2HB ASP 36 1HB ASP 36 -17.519 1.993 -8.460
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