NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
10850 | 1qhk | 4424 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 6 H GLY 6 -7.044 12.284 2.032 2 1HA GLY 6 1HA GLY 6 -7.690 11.005 -0.583 3 2HA GLY 6 2HA GLY 6 -6.297 10.609 0.417 4 H ASN 7 H ASN 7 -6.539 8.577 1.216 5 HA ASN 7 HA ASN 7 -8.877 7.974 2.828 6 1HB ASN 7 1HB ASN 7 -8.665 7.036 0.074 7 2HB ASN 7 2HB ASN 7 -8.911 5.745 1.235 8 1HD2 ASN 7 1HD2 ASN 7 -12.352 6.679 0.603 9 2HD2 ASN 7 2HD2 ASN 7 -11.119 5.671 0.016 10 H PHE 8 H PHE 8 -8.751 5.336 3.105 11 HA PHE 8 HA PHE 8 -5.967 4.863 4.072 12 1HB PHE 8 1HB PHE 8 -8.677 3.988 4.965 13 2HB PHE 8 2HB PHE 8 -7.360 2.832 5.160 14 HD1 PHE 8 HD1 PHE 8 -8.356 6.358 5.903 15 HD2 PHE 8 HD2 PHE 8 -5.801 3.056 6.918 16 HE1 PHE 8 HE1 PHE 8 -7.572 7.580 7.915 17 HE2 PHE 8 HE2 PHE 8 -5.019 4.279 8.929 18 HZ PHE 8 HZ PHE 8 -5.905 6.541 9.427 19 H TYR 9 H TYR 9 -4.884 2.908 3.387 20 HA TYR 9 HA TYR 9 -6.405 1.335 1.370 21 1HB TYR 9 1HB TYR 9 -4.439 3.218 0.696 22 2HB TYR 9 2HB TYR 9 -3.707 1.624 0.468 23 HD1 TYR 9 HD1 TYR 9 -5.574 -0.170 -0.393 24 HD2 TYR 9 HD2 TYR 9 -5.485 4.043 -1.221 25 HE1 TYR 9 HE1 TYR 9 -6.971 -0.534 -2.403 26 HE2 TYR 9 HE2 TYR 9 -6.877 3.683 -3.240 27 HH TYR 9 HH TYR 9 -7.448 1.914 -4.780 28 H ALA 10 H ALA 10 -6.374 -0.699 2.139 29 HA ALA 10 HA ALA 10 -4.039 -1.715 3.613 30 1HB ALA 10 1HB ALA 10 -6.758 -2.417 3.477 31 2HB ALA 10 2HB ALA 10 -5.916 -3.740 2.670 32 3HB ALA 10 3HB ALA 10 -5.498 -3.308 4.329 33 H VAL 11 H VAL 11 -2.609 -1.188 1.754 34 HA VAL 11 HA VAL 11 -2.946 -2.940 -0.608 35 HB VAL 11 HB VAL 11 -0.933 -0.740 -0.133 36 1HG1 VAL 11 1HG1 VAL 11 -0.546 -2.478 -1.944 37 2HG1 VAL 11 2HG1 VAL 11 -2.019 -1.866 -2.711 38 3HG1 VAL 11 3HG1 VAL 11 -0.629 -0.801 -2.498 39 1HG2 VAL 11 1HG2 VAL 11 -3.642 -0.381 -0.172 40 2HG2 VAL 11 2HG2 VAL 11 -2.485 0.816 -0.756 41 3HG2 VAL 11 3HG2 VAL 11 -3.269 -0.281 -1.893 42 H ARG 12 H ARG 12 -1.288 -4.303 -1.378 43 HA ARG 12 HA ARG 12 1.232 -4.589 -0.043 44 1HB ARG 12 1HB ARG 12 -0.922 -5.831 1.276 45 2HB ARG 12 2HB ARG 12 -0.057 -7.130 0.454 46 1HG ARG 12 1HG ARG 12 1.626 -7.021 1.944 47 2HG ARG 12 2HG ARG 12 1.831 -5.295 1.642 48 1HD ARG 12 1HD ARG 12 1.283 -5.605 3.989 49 2HD ARG 12 2HD ARG 12 -0.095 -4.853 3.185 50 HE ARG 12 HE ARG 12 -1.327 -6.743 3.827 51 1HH1 ARG 12 1HH1 ARG 12 -0.680 -8.846 2.215 52 2HH1 ARG 12 2HH1 ARG 12 0.297 -9.932 3.145 53 1HH2 ARG 12 1HH2 ARG 12 1.097 -7.576 5.558 54 2HH2 ARG 12 2HH2 ARG 12 1.304 -9.214 5.034 55 H LYS 13 H LYS 13 0.173 -4.458 -2.767 56 HA LYS 13 HA LYS 13 0.096 -6.951 -4.098 57 1HB LYS 13 1HB LYS 13 -0.398 -4.962 -5.360 58 2HB LYS 13 2HB LYS 13 1.178 -4.265 -4.991 59 1HG LYS 13 1HG LYS 13 0.990 -5.254 -7.310 60 2HG LYS 13 2HG LYS 13 2.306 -5.914 -6.339 61 1HD LYS 13 1HD LYS 13 0.815 -7.815 -5.690 62 2HD LYS 13 2HD LYS 13 -0.410 -7.182 -6.792 63 1HE LYS 13 1HE LYS 13 1.175 -7.391 -8.675 64 2HE LYS 13 2HE LYS 13 2.393 -8.036 -7.576 65 1HZ LYS 13 1HZ LYS 13 -0.253 -9.303 -7.692 66 2HZ LYS 13 2HZ LYS 13 0.871 -9.632 -8.919 67 3HZ LYS 13 3HZ LYS 13 1.254 -9.985 -7.302 68 H GLY 14 H GLY 14 2.892 -4.919 -3.247 69 1HA GLY 14 1HA GLY 14 4.645 -7.040 -2.658 70 2HA GLY 14 2HA GLY 14 4.876 -6.667 -4.368 71 H ARG 15 H ARG 15 6.933 -6.245 -2.469 72 HA ARG 15 HA ARG 15 8.528 -4.545 -2.082 73 1HB ARG 15 1HB ARG 15 6.972 -3.519 -4.158 74 2HB ARG 15 2HB ARG 15 6.917 -2.261 -2.923 75 1HG ARG 15 1HG ARG 15 9.539 -2.851 -2.804 76 2HG ARG 15 2HG ARG 15 9.234 -3.280 -4.487 77 1HD ARG 15 1HD ARG 15 8.025 -0.992 -4.637 78 2HD ARG 15 2HD ARG 15 8.867 -0.609 -3.135 79 HE ARG 15 HE ARG 15 10.904 -1.497 -4.744 80 1HH1 ARG 15 1HH1 ARG 15 8.636 -0.400 -6.706 81 2HH1 ARG 15 2HH1 ARG 15 9.361 1.120 -7.114 82 1HH2 ARG 15 1HH2 ARG 15 11.724 0.972 -4.581 83 2HH2 ARG 15 2HH2 ARG 15 11.109 1.898 -5.910 84 H GLU 16 H GLU 16 8.572 -2.330 -0.796 85 HA GLU 16 HA GLU 16 7.379 -2.742 1.732 86 1HB GLU 16 1HB GLU 16 9.031 -0.764 0.499 87 2HB GLU 16 2HB GLU 16 7.712 0.072 1.320 88 1HG GLU 16 1HG GLU 16 9.170 -0.158 3.096 89 2HG GLU 16 2HG GLU 16 8.293 -1.682 3.247 90 H THR 17 H THR 17 5.169 -3.007 1.842 91 HA THR 17 HA THR 17 3.514 -0.703 0.915 92 HB THR 17 HB THR 17 1.983 -3.111 0.744 93 HG1 THR 17 HG1 THR 17 3.715 -4.326 0.326 94 1HG2 THR 17 1HG2 THR 17 2.864 -0.870 -1.002 95 2HG2 THR 17 2HG2 THR 17 2.257 -2.316 -1.808 96 3HG2 THR 17 3HG2 THR 17 1.235 -1.454 -0.657 97 H GLY 18 H GLY 18 1.050 -1.907 1.795 98 1HA GLY 18 1HA GLY 18 0.530 -3.045 4.095 99 2HA GLY 18 2HA GLY 18 1.484 -1.704 4.734 100 H ILE 19 H ILE 19 -0.483 -1.009 5.873 101 HA ILE 19 HA ILE 19 -2.733 -0.154 4.261 102 HB ILE 19 HB ILE 19 -2.206 0.295 7.197 103 1HG1 ILE 19 1HG1 ILE 19 -3.335 -1.980 5.595 104 2HG1 ILE 19 2HG1 ILE 19 -2.314 -2.027 7.028 105 1HG2 ILE 19 1HG2 ILE 19 -3.916 1.743 5.882 106 2HG2 ILE 19 2HG2 ILE 19 -4.870 0.264 5.770 107 3HG2 ILE 19 3HG2 ILE 19 -4.479 0.943 7.349 108 1HD1 ILE 19 1HD1 ILE 19 -4.620 -0.792 7.950 109 2HD1 ILE 19 2HD1 ILE 19 -5.232 -2.001 6.820 110 3HD1 ILE 19 3HD1 ILE 19 -4.207 -2.490 8.168 111 H TYR 20 H TYR 20 -3.220 1.950 3.679 112 HA TYR 20 HA TYR 20 -1.213 4.039 4.455 113 1HB TYR 20 1HB TYR 20 -2.934 3.986 1.988 114 2HB TYR 20 2HB TYR 20 -1.641 5.120 2.330 115 HD1 TYR 20 HD1 TYR 20 0.504 3.481 3.375 116 HD2 TYR 20 HD2 TYR 20 -2.222 2.642 0.167 117 HE1 TYR 20 HE1 TYR 20 2.164 1.937 2.369 118 HE2 TYR 20 HE2 TYR 20 -0.565 1.094 -0.838 119 HH TYR 20 HH TYR 20 2.186 0.980 -0.645 120 H ASN 21 H ASN 21 -2.351 6.296 3.942 121 HA ASN 21 HA ASN 21 -5.181 6.454 4.548 122 1HB ASN 21 1HB ASN 21 -4.445 5.888 6.713 123 2HB ASN 21 2HB ASN 21 -3.014 6.901 6.553 124 1HD2 ASN 21 1HD2 ASN 21 -4.928 9.249 8.467 125 2HD2 ASN 21 2HD2 ASN 21 -3.679 8.103 8.543 126 H THR 22 H THR 22 -4.201 7.539 2.398 127 HA THR 22 HA THR 22 -4.101 10.393 2.923 128 HB THR 22 HB THR 22 -1.767 9.334 1.386 129 HG1 THR 22 HG1 THR 22 -1.449 9.800 4.107 130 1HG2 THR 22 1HG2 THR 22 -2.639 11.829 2.667 131 2HG2 THR 22 2HG2 THR 22 -0.951 11.414 2.963 132 3HG2 THR 22 3HG2 THR 22 -1.542 11.578 1.308 133 H TRP 23 H TRP 23 -3.795 11.602 0.783 134 HA TRP 23 HA TRP 23 -5.490 10.337 -1.250 135 1HB TRP 23 1HB TRP 23 -5.791 12.712 -0.934 136 2HB TRP 23 2HB TRP 23 -4.063 13.005 -1.118 137 HD1 TRP 23 HD1 TRP 23 -3.832 14.240 -3.357 138 HE1 TRP 23 HE1 TRP 23 -4.604 13.779 -5.776 139 HE3 TRP 23 HE3 TRP 23 -6.794 10.179 -2.558 140 HZ2 TRP 23 HZ2 TRP 23 -6.270 11.916 -7.185 141 HZ3 TRP 23 HZ3 TRP 23 -7.967 9.074 -4.445 142 HH2 TRP 23 HH2 TRP 23 -7.709 9.939 -6.756 143 H ASN 24 H ASN 24 -2.192 11.569 -0.963 144 HA ASN 24 HA ASN 24 -1.287 10.619 -3.481 145 1HB ASN 24 1HB ASN 24 -0.230 12.147 -1.398 146 2HB ASN 24 2HB ASN 24 0.820 10.737 -1.518 147 1HD2 ASN 24 1HD2 ASN 24 2.448 12.616 -4.074 148 2HD2 ASN 24 2HD2 ASN 24 2.549 12.096 -2.462 149 H GLU 25 H GLU 25 -0.637 9.376 -0.193 150 HA GLU 25 HA GLU 25 0.690 7.024 -0.801 151 1HB GLU 25 1HB GLU 25 -1.515 7.475 1.228 152 2HB GLU 25 2HB GLU 25 -0.467 6.054 1.216 153 1HG GLU 25 1HG GLU 25 0.311 8.940 1.664 154 2HG GLU 25 2HG GLU 25 0.521 7.579 2.765 155 H CYS 26 H CYS 26 -2.724 7.768 -1.151 156 HA CYS 26 HA CYS 26 -3.608 5.121 -1.781 157 1HB CYS 26 1HB CYS 26 -5.227 6.758 -1.146 158 2HB CYS 26 2HB CYS 26 -4.696 7.857 -2.420 159 HG CYS 26 HG CYS 26 -6.438 6.762 -3.803 160 H LYS 27 H LYS 27 -3.822 7.662 -4.130 161 HA LYS 27 HA LYS 27 -3.521 6.055 -6.392 162 1HB LYS 27 1HB LYS 27 -3.460 8.859 -5.622 163 2HB LYS 27 2HB LYS 27 -2.559 8.534 -7.113 164 1HG LYS 27 1HG LYS 27 -4.891 7.035 -7.405 165 2HG LYS 27 2HG LYS 27 -5.450 8.523 -6.641 166 1HD LYS 27 1HD LYS 27 -4.717 9.864 -8.407 167 2HD LYS 27 2HD LYS 27 -3.545 8.669 -8.959 168 1HE LYS 27 1HE LYS 27 -5.851 7.258 -9.247 169 2HE LYS 27 2HE LYS 27 -6.437 8.892 -9.556 170 1HZ LYS 27 1HZ LYS 27 -4.564 9.139 -11.144 171 2HZ LYS 27 2HZ LYS 27 -4.220 7.490 -10.943 172 3HZ LYS 27 3HZ LYS 27 -5.708 7.971 -11.605 173 H ASN 28 H ASN 28 -1.033 7.879 -4.589 174 HA ASN 28 HA ASN 28 1.163 7.396 -6.293 175 1HB ASN 28 1HB ASN 28 1.301 8.888 -4.335 176 2HB ASN 28 2HB ASN 28 1.157 7.497 -3.261 177 1HD2 ASN 28 1HD2 ASN 28 4.777 8.455 -4.678 178 2HD2 ASN 28 2HD2 ASN 28 3.432 9.485 -4.786 179 H GLN 29 H GLN 29 0.050 5.408 -3.517 180 HA GLN 29 HA GLN 29 1.981 3.324 -4.028 181 1HB GLN 29 1HB GLN 29 -0.640 3.254 -2.505 182 2HB GLN 29 2HB GLN 29 0.596 1.996 -2.453 183 1HG GLN 29 1HG GLN 29 1.034 4.892 -1.664 184 2HG GLN 29 2HG GLN 29 0.780 3.567 -0.532 185 1HE2 GLN 29 1HE2 GLN 29 4.035 2.273 -2.303 186 2HE2 GLN 29 2HE2 GLN 29 2.437 1.933 -2.758 187 H VAL 30 H VAL 30 -1.146 4.108 -5.323 188 HA VAL 30 HA VAL 30 -0.885 1.837 -7.190 189 HB VAL 30 HB VAL 30 -3.317 1.249 -6.797 190 1HG1 VAL 30 1HG1 VAL 30 -1.060 0.305 -5.632 191 2HG1 VAL 30 2HG1 VAL 30 -1.950 0.817 -4.199 192 3HG1 VAL 30 3HG1 VAL 30 -2.661 -0.362 -5.307 193 1HG2 VAL 30 1HG2 VAL 30 -3.679 3.490 -5.553 194 2HG2 VAL 30 2HG2 VAL 30 -4.426 2.052 -4.858 195 3HG2 VAL 30 3HG2 VAL 30 -2.933 2.690 -4.170 196 H ASP 31 H ASP 31 -0.478 3.633 -8.671 197 HA ASP 31 HA ASP 31 -3.009 4.999 -9.485 198 1HB ASP 31 1HB ASP 31 -1.646 6.736 -8.613 199 2HB ASP 31 2HB ASP 31 -0.187 6.059 -9.336 200 H GLY 32 H GLY 32 -3.564 3.723 -11.223 201 1HA GLY 32 1HA GLY 32 -3.280 3.489 -13.655 202 2HA GLY 32 2HA GLY 32 -1.532 3.472 -13.396 203 H TYR 33 H TYR 33 -1.172 1.710 -11.407 204 HA TYR 33 HA TYR 33 -0.633 -0.700 -11.829 205 1HB TYR 33 1HB TYR 33 -2.294 -1.674 -10.115 206 2HB TYR 33 2HB TYR 33 -1.265 -0.343 -9.582 207 HD1 TYR 33 HD1 TYR 33 -2.237 2.075 -9.928 208 HD2 TYR 33 HD2 TYR 33 -4.617 -1.501 -9.850 209 HE1 TYR 33 HE1 TYR 33 -4.248 3.430 -9.422 210 HE2 TYR 33 HE2 TYR 33 -6.631 -0.143 -9.341 211 HH TYR 33 HH TYR 33 -7.415 1.884 -8.876 212 H GLY 34 H GLY 34 -1.029 -1.916 -13.630 213 1HA GLY 34 1HA GLY 34 -3.417 -2.013 -15.121 214 2HA GLY 34 2HA GLY 34 -2.222 -3.311 -15.099 215 H GLY 35 H GLY 35 -2.565 -3.644 -12.142 216 1HA GLY 35 1HA GLY 35 -5.280 -4.295 -11.529 217 2HA GLY 35 2HA GLY 35 -4.473 -5.738 -12.147 218 H ALA 36 H ALA 36 -3.532 -3.066 -9.949 219 HA ALA 36 HA ALA 36 -1.850 -4.753 -8.348 220 1HB ALA 36 1HB ALA 36 -3.155 -2.087 -7.712 221 2HB ALA 36 2HB ALA 36 -1.893 -2.844 -6.739 222 3HB ALA 36 3HB ALA 36 -1.544 -2.328 -8.390 223 H ILE 37 H ILE 37 -2.303 -5.174 -5.955 224 HA ILE 37 HA ILE 37 -4.914 -6.477 -5.715 225 HB ILE 37 HB ILE 37 -2.888 -7.590 -4.866 226 1HG1 ILE 37 1HG1 ILE 37 -5.234 -7.808 -3.782 227 2HG1 ILE 37 2HG1 ILE 37 -3.849 -8.408 -2.873 228 1HG2 ILE 37 1HG2 ILE 37 -1.730 -5.466 -4.208 229 2HG2 ILE 37 2HG2 ILE 37 -2.799 -5.367 -2.812 230 3HG2 ILE 37 3HG2 ILE 37 -1.671 -6.715 -2.967 231 1HD1 ILE 37 1HD1 ILE 37 -4.191 -5.620 -2.262 232 2HD1 ILE 37 2HD1 ILE 37 -5.741 -6.431 -2.082 233 3HD1 ILE 37 3HD1 ILE 37 -4.340 -7.006 -1.184 234 H TYR 38 H TYR 38 -3.159 -3.990 -4.022 235 HA TYR 38 HA TYR 38 -3.988 -2.780 -2.075 236 1HB TYR 38 1HB TYR 38 -4.856 -0.735 -3.093 237 2HB TYR 38 2HB TYR 38 -3.460 -1.358 -3.963 238 HD1 TYR 38 HD1 TYR 38 -3.837 -2.750 -6.037 239 HD2 TYR 38 HD2 TYR 38 -6.962 -0.506 -4.182 240 HE1 TYR 38 HE1 TYR 38 -5.162 -2.861 -8.130 241 HE2 TYR 38 HE2 TYR 38 -8.298 -0.604 -6.246 242 HH TYR 38 HH TYR 38 -8.092 -1.004 -8.544 243 H LYS 39 H LYS 39 -5.520 -3.200 -0.602 244 HA LYS 39 HA LYS 39 -8.336 -3.590 -1.506 245 1HB LYS 39 1HB LYS 39 -6.754 -4.857 0.494 246 2HB LYS 39 2HB LYS 39 -7.990 -3.922 1.336 247 1HG LYS 39 1HG LYS 39 -9.137 -5.907 0.938 248 2HG LYS 39 2HG LYS 39 -9.589 -4.969 -0.487 249 1HD LYS 39 1HD LYS 39 -7.425 -6.016 -1.528 250 2HD LYS 39 2HD LYS 39 -7.618 -7.226 -0.259 251 1HE LYS 39 1HE LYS 39 -9.122 -8.258 -1.578 252 2HE LYS 39 2HE LYS 39 -10.187 -6.869 -1.353 253 1HZ LYS 39 1HZ LYS 39 -8.075 -7.053 -3.432 254 2HZ LYS 39 2HZ LYS 39 -9.719 -7.366 -3.705 255 3HZ LYS 39 3HZ LYS 39 -9.216 -5.806 -3.253 256 H LYS 40 H LYS 40 -8.873 -1.411 -1.850 257 HA LYS 40 HA LYS 40 -8.186 0.814 -0.336 258 1HB LYS 40 1HB LYS 40 -9.978 0.282 -2.403 259 2HB LYS 40 2HB LYS 40 -10.992 0.927 -1.110 260 1HG LYS 40 1HG LYS 40 -8.608 2.468 -1.161 261 2HG LYS 40 2HG LYS 40 -9.194 2.344 -2.828 262 1HD LYS 40 1HD LYS 40 -11.534 2.809 -1.539 263 2HD LYS 40 2HD LYS 40 -10.425 3.678 -0.477 264 1HE LYS 40 1HE LYS 40 -10.444 4.038 -3.482 265 2HE LYS 40 2HE LYS 40 -11.385 5.051 -2.388 266 1HZ LYS 40 1HZ LYS 40 -8.617 4.717 -1.640 267 2HZ LYS 40 2HZ LYS 40 -8.846 5.538 -3.106 268 3HZ LYS 40 3HZ LYS 40 -9.571 6.123 -1.684 269 H PHE 41 H PHE 41 -9.080 1.908 1.429 270 HA PHE 41 HA PHE 41 -11.309 0.729 2.919 271 1HB PHE 41 1HB PHE 41 -8.525 0.166 3.583 272 2HB PHE 41 2HB PHE 41 -9.473 0.808 4.934 273 HD1 PHE 41 HD1 PHE 41 -11.945 -0.171 5.087 274 HD2 PHE 41 HD2 PHE 41 -8.628 -2.145 3.206 275 HE1 PHE 41 HE1 PHE 41 -13.106 -2.343 5.323 276 HE2 PHE 41 HE2 PHE 41 -9.788 -4.325 3.448 277 HZ PHE 41 HZ PHE 41 -12.030 -4.425 4.506 278 H ASN 42 H ASN 42 -11.781 1.993 4.890 279 HA ASN 42 HA ASN 42 -10.678 4.768 4.808 280 1HB ASN 42 1HB ASN 42 -13.268 3.932 4.067 281 2HB ASN 42 2HB ASN 42 -13.438 4.682 5.652 282 1HD2 ASN 42 1HD2 ASN 42 -12.751 7.015 2.427 283 2HD2 ASN 42 2HD2 ASN 42 -13.021 5.345 2.291 284 H SER 43 H SER 43 -10.081 2.432 6.488 285 HA SER 43 HA SER 43 -10.139 3.655 9.069 286 1HB SER 43 1HB SER 43 -12.242 3.080 9.707 287 2HB SER 43 2HB SER 43 -12.452 2.029 8.309 288 HG SER 43 HG SER 43 -12.383 0.598 9.906 289 H TYR 44 H TYR 44 -7.991 3.015 9.086 290 HA TYR 44 HA TYR 44 -6.672 0.773 8.304 291 1HB TYR 44 1HB TYR 44 -5.512 2.517 9.515 292 2HB TYR 44 2HB TYR 44 -6.414 2.157 10.988 293 HD1 TYR 44 HD1 TYR 44 -6.119 -0.114 12.086 294 HD2 TYR 44 HD2 TYR 44 -3.547 1.312 8.955 295 HE1 TYR 44 HE1 TYR 44 -4.410 -1.795 12.726 296 HE2 TYR 44 HE2 TYR 44 -1.837 -0.368 9.595 297 HH TYR 44 HH TYR 44 -2.501 -2.974 11.648 298 H GLU 45 H GLU 45 -8.995 0.887 10.934 299 HA GLU 45 HA GLU 45 -8.388 -1.594 12.188 300 1HB GLU 45 1HB GLU 45 -11.137 -0.362 11.849 301 2HB GLU 45 2HB GLU 45 -10.631 -1.491 13.106 302 1HG GLU 45 1HG GLU 45 -8.912 0.221 13.822 303 2HG GLU 45 2HG GLU 45 -9.670 1.354 12.702 304 H GLN 46 H GLN 46 -10.500 -0.876 9.392 305 HA GLN 46 HA GLN 46 -11.249 -3.649 9.119 306 1HB GLN 46 1HB GLN 46 -11.588 -1.343 7.201 307 2HB GLN 46 2HB GLN 46 -12.384 -2.913 7.074 308 1HG GLN 46 1HG GLN 46 -12.880 -1.976 9.700 309 2HG GLN 46 2HG GLN 46 -13.181 -0.616 8.616 310 1HE2 GLN 46 1HE2 GLN 46 -16.316 -1.943 7.758 311 2HE2 GLN 46 2HE2 GLN 46 -15.381 -0.580 8.145 312 H ALA 47 H ALA 47 -9.340 -1.370 7.237 313 HA ALA 47 HA ALA 47 -8.300 -3.126 5.331 314 1HB ALA 47 1HB ALA 47 -7.062 -0.729 6.700 315 2HB ALA 47 2HB ALA 47 -6.273 -1.569 5.362 316 3HB ALA 47 3HB ALA 47 -7.831 -0.785 5.116 317 H LYS 48 H LYS 48 -7.050 -2.376 8.572 318 HA LYS 48 HA LYS 48 -4.834 -4.205 8.428 319 1HB LYS 48 1HB LYS 48 -4.564 -3.865 10.780 320 2HB LYS 48 2HB LYS 48 -5.079 -2.324 10.096 321 1HG LYS 48 1HG LYS 48 -6.481 -2.526 11.948 322 2HG LYS 48 2HG LYS 48 -7.478 -3.175 10.653 323 1HD LYS 48 1HD LYS 48 -7.636 -5.120 11.773 324 2HD LYS 48 2HD LYS 48 -5.888 -5.315 11.633 325 1HE LYS 48 1HE LYS 48 -5.612 -4.865 13.824 326 2HE LYS 48 2HE LYS 48 -6.509 -3.356 13.666 327 1HZ LYS 48 1HZ LYS 48 -7.881 -5.971 13.793 328 2HZ LYS 48 2HZ LYS 48 -7.457 -5.121 15.201 329 3HZ LYS 48 3HZ LYS 48 -8.522 -4.426 14.075 330 H SER 49 H SER 49 -8.161 -4.568 9.675 331 HA SER 49 HA SER 49 -7.821 -7.214 10.650 332 1HB SER 49 1HB SER 49 -9.832 -6.004 11.223 333 2HB SER 49 2HB SER 49 -10.248 -5.793 9.525 334 HG SER 49 HG SER 49 -10.877 -7.797 11.142 335 H PHE 50 H PHE 50 -8.055 -5.899 7.464 336 HA PHE 50 HA PHE 50 -8.801 -8.380 6.132 337 1HB PHE 50 1HB PHE 50 -8.443 -5.623 5.424 338 2HB PHE 50 2HB PHE 50 -7.440 -6.610 4.360 339 HD1 PHE 50 HD1 PHE 50 -10.849 -6.869 5.931 340 HD2 PHE 50 HD2 PHE 50 -8.463 -7.267 2.382 341 HE1 PHE 50 HE1 PHE 50 -12.865 -7.538 4.651 342 HE2 PHE 50 HE2 PHE 50 -10.478 -7.937 1.101 343 HZ PHE 50 HZ PHE 50 -12.679 -8.073 2.236 344 H LEU 51 H LEU 51 -5.818 -6.438 6.306 345 HA LEU 51 HA LEU 51 -4.061 -8.003 4.944 346 1HB LEU 51 1HB LEU 51 -3.246 -7.021 7.657 347 2HB LEU 51 2HB LEU 51 -2.338 -7.009 6.157 348 HG LEU 51 HG LEU 51 -4.611 -5.203 6.948 349 1HD1 LEU 51 1HD1 LEU 51 -1.758 -5.020 6.958 350 2HD1 LEU 51 2HD1 LEU 51 -2.379 -3.897 5.747 351 3HD1 LEU 51 3HD1 LEU 51 -2.931 -3.786 7.418 352 1HD2 LEU 51 1HD2 LEU 51 -3.891 -6.172 4.311 353 2HD2 LEU 51 2HD2 LEU 51 -5.230 -5.126 4.783 354 3HD2 LEU 51 3HD2 LEU 51 -3.649 -4.428 4.429 355 H GLY 52 H GLY 52 -5.535 -8.740 8.031 356 1HA GLY 52 1HA GLY 52 -5.759 -10.966 8.905 357 2HA GLY 52 2HA GLY 52 -4.451 -11.488 7.839 Start of MODEL 2 1 H GLY 6 H GLY 6 -7.370 12.524 1.479 2 1HA GLY 6 1HA GLY 6 -5.784 10.882 2.035 3 2HA GLY 6 2HA GLY 6 -6.097 11.258 3.731 4 H ASN 7 H ASN 7 -6.347 8.817 1.485 5 HA ASN 7 HA ASN 7 -8.695 7.612 2.801 6 1HB ASN 7 1HB ASN 7 -7.343 6.437 0.417 7 2HB ASN 7 2HB ASN 7 -9.023 6.334 0.894 8 1HD2 ASN 7 1HD2 ASN 7 -9.635 9.808 -0.222 9 2HD2 ASN 7 2HD2 ASN 7 -9.876 8.899 1.191 10 H PHE 8 H PHE 8 -8.530 5.358 3.484 11 HA PHE 8 HA PHE 8 -5.779 4.693 4.369 12 1HB PHE 8 1HB PHE 8 -8.535 3.888 5.190 13 2HB PHE 8 2HB PHE 8 -7.259 2.686 5.386 14 HD1 PHE 8 HD1 PHE 8 -5.115 3.392 6.621 15 HD2 PHE 8 HD2 PHE 8 -8.761 5.662 6.735 16 HE1 PHE 8 HE1 PHE 8 -4.324 4.559 8.660 17 HE2 PHE 8 HE2 PHE 8 -7.967 6.832 8.773 18 HZ PHE 8 HZ PHE 8 -5.750 6.280 9.737 19 H TYR 9 H TYR 9 -4.627 3.004 3.349 20 HA TYR 9 HA TYR 9 -6.274 1.410 1.439 21 1HB TYR 9 1HB TYR 9 -4.438 3.368 0.684 22 2HB TYR 9 2HB TYR 9 -3.645 1.818 0.361 23 HD1 TYR 9 HD1 TYR 9 -5.325 -0.053 -0.522 24 HD2 TYR 9 HD2 TYR 9 -5.831 4.184 -1.013 25 HE1 TYR 9 HE1 TYR 9 -6.855 -0.456 -2.420 26 HE2 TYR 9 HE2 TYR 9 -7.372 3.775 -2.917 27 HH TYR 9 HH TYR 9 -7.937 2.128 -4.492 28 H ALA 10 H ALA 10 -6.188 -0.619 2.158 29 HA ALA 10 HA ALA 10 -3.782 -1.704 3.432 30 1HB ALA 10 1HB ALA 10 -6.505 -2.407 3.340 31 2HB ALA 10 2HB ALA 10 -5.675 -3.684 2.451 32 3HB ALA 10 3HB ALA 10 -5.218 -3.324 4.118 33 H VAL 11 H VAL 11 -2.474 -1.044 1.547 34 HA VAL 11 HA VAL 11 -2.827 -2.723 -0.871 35 HB VAL 11 HB VAL 11 -1.039 -0.347 -0.315 36 1HG1 VAL 11 1HG1 VAL 11 -0.227 -1.997 -2.036 37 2HG1 VAL 11 2HG1 VAL 11 -1.714 -1.677 -2.940 38 3HG1 VAL 11 3HG1 VAL 11 -0.556 -0.375 -2.666 39 1HG2 VAL 11 1HG2 VAL 11 -3.501 0.106 -0.351 40 2HG2 VAL 11 2HG2 VAL 11 -2.629 0.900 -1.662 41 3HG2 VAL 11 3HG2 VAL 11 -3.563 -0.562 -1.983 42 H ARG 12 H ARG 12 -1.068 -3.901 -1.759 43 HA ARG 12 HA ARG 12 1.278 -4.261 0.012 44 1HB ARG 12 1HB ARG 12 -0.792 -6.242 -0.540 45 2HB ARG 12 2HB ARG 12 0.805 -6.811 -1.025 46 1HG ARG 12 1HG ARG 12 0.656 -5.443 1.606 47 2HG ARG 12 2HG ARG 12 -0.122 -7.023 1.509 48 1HD ARG 12 1HD ARG 12 2.689 -6.554 0.501 49 2HD ARG 12 2HD ARG 12 2.354 -7.019 2.168 50 HE ARG 12 HE ARG 12 1.425 -8.711 -0.115 51 1HH1 ARG 12 1HH1 ARG 12 3.908 -8.339 2.112 52 2HH1 ARG 12 2HH1 ARG 12 3.819 -9.948 2.748 53 1HH2 ARG 12 1HH2 ARG 12 0.915 -10.748 1.025 54 2HH2 ARG 12 2HH2 ARG 12 2.121 -11.315 2.133 55 H LYS 13 H LYS 13 -0.011 -5.602 -3.052 56 HA LYS 13 HA LYS 13 1.141 -5.970 -5.083 57 1HB LYS 13 1HB LYS 13 0.818 -3.248 -4.529 58 2HB LYS 13 2HB LYS 13 2.497 -3.389 -5.050 59 1HG LYS 13 1HG LYS 13 1.655 -4.750 -7.024 60 2HG LYS 13 2HG LYS 13 0.023 -4.272 -6.553 61 1HD LYS 13 1HD LYS 13 0.576 -2.605 -8.095 62 2HD LYS 13 2HD LYS 13 1.025 -1.845 -6.568 63 1HE LYS 13 1HE LYS 13 2.949 -1.483 -7.833 64 2HE LYS 13 2HE LYS 13 3.352 -2.994 -7.017 65 1HZ LYS 13 1HZ LYS 13 1.892 -3.479 -9.403 66 2HZ LYS 13 2HZ LYS 13 3.278 -2.554 -9.731 67 3HZ LYS 13 3HZ LYS 13 3.426 -4.050 -8.947 68 H GLY 14 H GLY 14 2.642 -6.651 -2.568 69 1HA GLY 14 1HA GLY 14 4.867 -7.829 -3.036 70 2HA GLY 14 2HA GLY 14 5.422 -6.250 -3.596 71 H ARG 15 H ARG 15 6.970 -7.141 -1.680 72 HA ARG 15 HA ARG 15 6.177 -6.883 1.024 73 1HB ARG 15 1HB ARG 15 8.842 -6.295 -0.297 74 2HB ARG 15 2HB ARG 15 8.606 -6.373 1.450 75 1HG ARG 15 1HG ARG 15 7.758 -8.699 1.209 76 2HG ARG 15 2HG ARG 15 8.079 -8.615 -0.524 77 1HD ARG 15 1HD ARG 15 10.144 -9.393 -0.034 78 2HD ARG 15 2HD ARG 15 10.475 -7.781 0.603 79 HE ARG 15 HE ARG 15 9.239 -9.724 2.464 80 1HH1 ARG 15 1HH1 ARG 15 12.275 -9.394 1.156 81 2HH1 ARG 15 2HH1 ARG 15 13.091 -9.050 2.645 82 1HH2 ARG 15 1HH2 ARG 15 10.167 -8.688 4.472 83 2HH2 ARG 15 2HH2 ARG 15 11.897 -8.652 4.520 84 H GLU 16 H GLU 16 7.135 -4.993 2.450 85 HA GLU 16 HA GLU 16 7.064 -2.716 3.022 86 1HB GLU 16 1HB GLU 16 7.119 -2.192 0.038 87 2HB GLU 16 2HB GLU 16 7.602 -1.089 1.327 88 1HG GLU 16 1HG GLU 16 9.528 -2.366 1.852 89 2HG GLU 16 2HG GLU 16 8.943 -3.770 0.959 90 H THR 17 H THR 17 5.743 -0.667 1.341 91 HA THR 17 HA THR 17 3.585 0.255 1.240 92 HB THR 17 HB THR 17 1.966 -1.106 -0.006 93 HG1 THR 17 HG1 THR 17 3.123 -3.301 -0.528 94 1HG2 THR 17 1HG2 THR 17 4.417 -0.276 -0.898 95 2HG2 THR 17 2HG2 THR 17 4.436 -1.979 -1.351 96 3HG2 THR 17 3HG2 THR 17 3.147 -0.926 -1.933 97 H GLY 18 H GLY 18 1.127 -1.509 1.574 98 1HA GLY 18 1HA GLY 18 0.364 -2.881 3.572 99 2HA GLY 18 2HA GLY 18 1.283 -1.734 4.554 100 H ILE 19 H ILE 19 -0.684 -1.086 5.668 101 HA ILE 19 HA ILE 19 -2.886 -0.026 4.150 102 HB ILE 19 HB ILE 19 -2.369 0.414 7.079 103 1HG1 ILE 19 1HG1 ILE 19 -3.313 -1.990 5.532 104 2HG1 ILE 19 2HG1 ILE 19 -2.235 -1.922 6.923 105 1HG2 ILE 19 1HG2 ILE 19 -4.330 1.365 5.352 106 2HG2 ILE 19 2HG2 ILE 19 -5.094 -0.042 6.091 107 3HG2 ILE 19 3HG2 ILE 19 -4.478 1.261 7.105 108 1HD1 ILE 19 1HD1 ILE 19 -4.644 -0.867 7.871 109 2HD1 ILE 19 2HD1 ILE 19 -5.128 -2.214 6.844 110 3HD1 ILE 19 3HD1 ILE 19 -4.016 -2.484 8.186 111 H TYR 20 H TYR 20 -2.904 1.947 3.207 112 HA TYR 20 HA TYR 20 -0.980 4.015 4.128 113 1HB TYR 20 1HB TYR 20 -2.902 4.063 1.805 114 2HB TYR 20 2HB TYR 20 -1.628 5.230 2.101 115 HD1 TYR 20 HD1 TYR 20 0.617 3.564 2.948 116 HD2 TYR 20 HD2 TYR 20 -2.259 2.903 -0.169 117 HE1 TYR 20 HE1 TYR 20 2.250 2.136 1.747 118 HE2 TYR 20 HE2 TYR 20 -0.629 1.472 -1.372 119 HH TYR 20 HH TYR 20 2.694 1.319 -0.465 120 H ASN 21 H ASN 21 -2.195 6.314 3.657 121 HA ASN 21 HA ASN 21 -4.916 6.466 4.635 122 1HB ASN 21 1HB ASN 21 -3.906 5.951 6.699 123 2HB ASN 21 2HB ASN 21 -2.501 6.941 6.327 124 1HD2 ASN 21 1HD2 ASN 21 -5.817 9.269 6.914 125 2HD2 ASN 21 2HD2 ASN 21 -5.816 8.060 5.723 126 H THR 22 H THR 22 -4.110 7.476 2.324 127 HA THR 22 HA THR 22 -4.063 10.350 2.733 128 HB THR 22 HB THR 22 -1.849 9.338 1.017 129 HG1 THR 22 HG1 THR 22 -1.433 8.204 2.852 130 1HG2 THR 22 1HG2 THR 22 -2.674 11.802 2.381 131 2HG2 THR 22 2HG2 THR 22 -0.953 11.444 2.518 132 3HG2 THR 22 3HG2 THR 22 -1.700 11.588 0.924 133 H TRP 23 H TRP 23 -4.150 11.501 0.602 134 HA TRP 23 HA TRP 23 -5.892 10.054 -1.254 135 1HB TRP 23 1HB TRP 23 -6.374 12.381 -0.951 136 2HB TRP 23 2HB TRP 23 -4.692 12.827 -1.217 137 HD1 TRP 23 HD1 TRP 23 -4.761 14.167 -3.403 138 HE1 TRP 23 HE1 TRP 23 -5.597 13.697 -5.797 139 HE3 TRP 23 HE3 TRP 23 -7.143 9.717 -2.648 140 HZ2 TRP 23 HZ2 TRP 23 -7.082 11.699 -7.204 141 HZ3 TRP 23 HZ3 TRP 23 -8.262 8.552 -4.530 142 HH2 TRP 23 HH2 TRP 23 -8.231 9.538 -6.805 143 H ASN 24 H ASN 24 -2.656 11.482 -1.243 144 HA ASN 24 HA ASN 24 -1.929 10.604 -3.856 145 1HB ASN 24 1HB ASN 24 -0.261 11.413 -1.467 146 2HB ASN 24 2HB ASN 24 0.418 11.072 -3.060 147 1HD2 ASN 24 1HD2 ASN 24 -0.244 14.339 -4.162 148 2HD2 ASN 24 2HD2 ASN 24 0.736 12.956 -4.243 149 H GLU 25 H GLU 25 -0.901 9.414 -0.634 150 HA GLU 25 HA GLU 25 0.498 7.136 -1.328 151 1HB GLU 25 1HB GLU 25 -1.596 7.488 0.833 152 2HB GLU 25 2HB GLU 25 -0.552 6.071 0.729 153 1HG GLU 25 1HG GLU 25 0.349 8.948 1.052 154 2HG GLU 25 2HG GLU 25 0.400 7.692 2.291 155 H CYS 26 H CYS 26 -2.992 7.649 -1.401 156 HA CYS 26 HA CYS 26 -3.747 4.970 -2.027 157 1HB CYS 26 1HB CYS 26 -5.460 6.437 -1.306 158 2HB CYS 26 2HB CYS 26 -5.006 7.667 -2.484 159 HG CYS 26 HG CYS 26 -7.159 6.082 -3.182 160 H LYS 27 H LYS 27 -4.391 7.410 -4.372 161 HA LYS 27 HA LYS 27 -4.020 5.867 -6.646 162 1HB LYS 27 1HB LYS 27 -4.132 8.673 -5.855 163 2HB LYS 27 2HB LYS 27 -3.320 8.406 -7.409 164 1HG LYS 27 1HG LYS 27 -5.718 8.730 -7.798 165 2HG LYS 27 2HG LYS 27 -5.296 7.054 -8.150 166 1HD LYS 27 1HD LYS 27 -6.044 7.557 -5.344 167 2HD LYS 27 2HD LYS 27 -7.345 7.815 -6.503 168 1HE LYS 27 1HE LYS 27 -5.709 5.296 -6.116 169 2HE LYS 27 2HE LYS 27 -7.444 5.500 -5.869 170 1HZ LYS 27 1HZ LYS 27 -7.327 6.252 -8.363 171 2HZ LYS 27 2HZ LYS 27 -5.932 5.281 -8.367 172 3HZ LYS 27 3HZ LYS 27 -7.436 4.611 -7.948 173 H ASN 28 H ASN 28 -1.640 8.051 -5.100 174 HA ASN 28 HA ASN 28 0.506 7.739 -6.849 175 1HB ASN 28 1HB ASN 28 0.409 9.122 -4.691 176 2HB ASN 28 2HB ASN 28 0.858 7.639 -3.848 177 1HD2 ASN 28 1HD2 ASN 28 4.145 7.534 -5.416 178 2HD2 ASN 28 2HD2 ASN 28 2.881 6.492 -4.975 179 H GLN 29 H GLN 29 -0.431 5.559 -4.170 180 HA GLN 29 HA GLN 29 1.706 3.687 -4.759 181 1HB GLN 29 1HB GLN 29 -0.846 3.410 -3.146 182 2HB GLN 29 2HB GLN 29 0.414 2.177 -3.223 183 1HG GLN 29 1HG GLN 29 1.157 4.995 -2.501 184 2HG GLN 29 2HG GLN 29 0.440 3.952 -1.274 185 1HE2 GLN 29 1HE2 GLN 29 4.133 3.458 -1.128 186 2HE2 GLN 29 2HE2 GLN 29 3.080 4.764 -0.877 187 H VAL 30 H VAL 30 -1.507 4.249 -5.978 188 HA VAL 30 HA VAL 30 -1.183 1.795 -7.648 189 HB VAL 30 HB VAL 30 -3.803 1.832 -7.603 190 1HG1 VAL 30 1HG1 VAL 30 -2.100 1.011 -5.232 191 2HG1 VAL 30 2HG1 VAL 30 -3.721 0.402 -5.571 192 3HG1 VAL 30 3HG1 VAL 30 -2.396 0.039 -6.677 193 1HG2 VAL 30 1HG2 VAL 30 -3.439 4.062 -6.112 194 2HG2 VAL 30 2HG2 VAL 30 -4.829 2.995 -5.907 195 3HG2 VAL 30 3HG2 VAL 30 -3.439 2.849 -4.833 196 H ASP 31 H ASP 31 -3.873 4.050 -7.920 197 HA ASP 31 HA ASP 31 -4.646 5.059 -9.910 198 1HB ASP 31 1HB ASP 31 -3.226 6.618 -8.461 199 2HB ASP 31 2HB ASP 31 -1.997 6.449 -9.712 200 H GLY 32 H GLY 32 -4.685 3.696 -11.677 201 1HA GLY 32 1HA GLY 32 -4.052 3.010 -13.832 202 2HA GLY 32 2HA GLY 32 -2.673 4.104 -13.720 203 H TYR 33 H TYR 33 -3.826 0.972 -12.509 204 HA TYR 33 HA TYR 33 -1.028 0.073 -12.383 205 1HB TYR 33 1HB TYR 33 -2.409 -1.682 -10.814 206 2HB TYR 33 2HB TYR 33 -1.590 -0.251 -10.205 207 HD1 TYR 33 HD1 TYR 33 -2.982 1.990 -10.335 208 HD2 TYR 33 HD2 TYR 33 -4.697 -1.947 -10.377 209 HE1 TYR 33 HE1 TYR 33 -5.156 2.936 -9.624 210 HE2 TYR 33 HE2 TYR 33 -6.876 -1.004 -9.659 211 HH TYR 33 HH TYR 33 -7.555 2.322 -9.734 212 H GLY 34 H GLY 34 -0.513 -1.780 -13.534 213 1HA GLY 34 1HA GLY 34 -2.321 -2.733 -15.545 214 2HA GLY 34 2HA GLY 34 -0.803 -3.511 -15.095 215 H GLY 35 H GLY 35 -1.921 -3.516 -12.222 216 1HA GLY 35 1HA GLY 35 -4.237 -5.067 -11.976 217 2HA GLY 35 2HA GLY 35 -2.936 -6.218 -12.288 218 H ALA 36 H ALA 36 -3.271 -3.249 -10.312 219 HA ALA 36 HA ALA 36 -1.528 -4.321 -8.245 220 1HB ALA 36 1HB ALA 36 -3.265 -1.853 -8.453 221 2HB ALA 36 2HB ALA 36 -2.393 -2.250 -6.974 222 3HB ALA 36 3HB ALA 36 -1.504 -1.952 -8.466 223 H ILE 37 H ILE 37 -2.186 -4.868 -6.075 224 HA ILE 37 HA ILE 37 -4.822 -6.167 -5.964 225 HB ILE 37 HB ILE 37 -2.821 -7.316 -5.045 226 1HG1 ILE 37 1HG1 ILE 37 -5.192 -7.606 -4.104 227 2HG1 ILE 37 2HG1 ILE 37 -3.866 -8.119 -3.062 228 1HG2 ILE 37 1HG2 ILE 37 -1.712 -5.188 -4.294 229 2HG2 ILE 37 2HG2 ILE 37 -2.844 -5.140 -2.943 230 3HG2 ILE 37 3HG2 ILE 37 -1.696 -6.475 -3.086 231 1HD1 ILE 37 1HD1 ILE 37 -4.271 -5.372 -2.497 232 2HD1 ILE 37 2HD1 ILE 37 -5.874 -6.098 -2.574 233 3HD1 ILE 37 3HD1 ILE 37 -4.667 -6.746 -1.466 234 H TYR 38 H TYR 38 -3.029 -3.731 -4.242 235 HA TYR 38 HA TYR 38 -3.780 -2.367 -2.420 236 1HB TYR 38 1HB TYR 38 -4.728 -0.423 -3.473 237 2HB TYR 38 2HB TYR 38 -3.501 -1.116 -4.525 238 HD1 TYR 38 HD1 TYR 38 -4.238 -2.607 -6.445 239 HD2 TYR 38 HD2 TYR 38 -6.974 -0.229 -4.192 240 HE1 TYR 38 HE1 TYR 38 -5.922 -2.818 -8.260 241 HE2 TYR 38 HE2 TYR 38 -8.659 -0.412 -5.974 242 HH TYR 38 HH TYR 38 -8.989 -2.396 -7.974 243 H LYS 39 H LYS 39 -5.149 -2.951 -0.811 244 HA LYS 39 HA LYS 39 -8.003 -3.491 -1.455 245 1HB LYS 39 1HB LYS 39 -6.234 -4.721 0.304 246 2HB LYS 39 2HB LYS 39 -7.204 -3.693 1.359 247 1HG LYS 39 1HG LYS 39 -8.320 -5.837 1.167 248 2HG LYS 39 2HG LYS 39 -9.267 -4.643 0.279 249 1HD LYS 39 1HD LYS 39 -8.003 -5.362 -1.808 250 2HD LYS 39 2HD LYS 39 -7.371 -6.710 -0.860 251 1HE LYS 39 1HE LYS 39 -9.272 -7.673 -1.811 252 2HE LYS 39 2HE LYS 39 -9.906 -7.104 -0.267 253 1HZ LYS 39 1HZ LYS 39 -9.964 -5.374 -2.657 254 2HZ LYS 39 2HZ LYS 39 -11.184 -6.526 -2.390 255 3HZ LYS 39 3HZ LYS 39 -10.918 -5.288 -1.258 256 H LYS 40 H LYS 40 -8.632 -1.304 -1.831 257 HA LYS 40 HA LYS 40 -8.031 0.952 -0.297 258 1HB LYS 40 1HB LYS 40 -9.645 0.463 -2.431 259 2HB LYS 40 2HB LYS 40 -10.850 0.755 -1.175 260 1HG LYS 40 1HG LYS 40 -8.731 2.677 -0.917 261 2HG LYS 40 2HG LYS 40 -9.325 2.678 -2.584 262 1HD LYS 40 1HD LYS 40 -11.691 2.669 -1.463 263 2HD LYS 40 2HD LYS 40 -10.825 3.245 -0.038 264 1HE LYS 40 1HE LYS 40 -11.385 5.253 -1.093 265 2HE LYS 40 2HE LYS 40 -9.760 4.962 -1.715 266 1HZ LYS 40 1HZ LYS 40 -12.246 4.108 -3.097 267 2HZ LYS 40 2HZ LYS 40 -11.412 5.548 -3.444 268 3HZ LYS 40 3HZ LYS 40 -10.661 4.051 -3.707 269 H PHE 41 H PHE 41 -8.865 1.911 1.538 270 HA PHE 41 HA PHE 41 -11.125 0.712 2.957 271 1HB PHE 41 1HB PHE 41 -8.353 0.066 3.633 272 2HB PHE 41 2HB PHE 41 -9.324 0.641 4.998 273 HD1 PHE 41 HD1 PHE 41 -11.723 -0.354 5.207 274 HD2 PHE 41 HD2 PHE 41 -8.554 -2.179 2.956 275 HE1 PHE 41 HE1 PHE 41 -12.911 -2.520 5.298 276 HE2 PHE 41 HE2 PHE 41 -9.742 -4.355 3.051 277 HZ PHE 41 HZ PHE 41 -11.923 -4.528 4.221 278 H ASN 42 H ASN 42 -11.504 1.840 5.056 279 HA ASN 42 HA ASN 42 -10.406 4.617 5.080 280 1HB ASN 42 1HB ASN 42 -13.167 3.674 4.706 281 2HB ASN 42 2HB ASN 42 -12.994 4.896 5.968 282 1HD2 ASN 42 1HD2 ASN 42 -13.367 7.075 3.117 283 2HD2 ASN 42 2HD2 ASN 42 -14.258 6.280 4.324 284 H SER 43 H SER 43 -9.419 2.601 6.692 285 HA SER 43 HA SER 43 -9.587 3.580 9.291 286 1HB SER 43 1HB SER 43 -11.901 1.931 8.530 287 2HB SER 43 2HB SER 43 -11.096 1.381 9.999 288 HG SER 43 HG SER 43 -12.699 2.991 10.397 289 H TYR 44 H TYR 44 -7.474 2.894 9.446 290 HA TYR 44 HA TYR 44 -6.173 0.655 8.561 291 1HB TYR 44 1HB TYR 44 -5.116 2.425 9.941 292 2HB TYR 44 2HB TYR 44 -5.914 1.770 11.370 293 HD1 TYR 44 HD1 TYR 44 -3.513 0.934 8.646 294 HD2 TYR 44 HD2 TYR 44 -5.006 -0.086 12.540 295 HE1 TYR 44 HE1 TYR 44 -1.668 -0.697 8.923 296 HE2 TYR 44 HE2 TYR 44 -3.160 -1.720 12.819 297 HH TYR 44 HH TYR 44 -0.438 -1.761 10.901 298 H GLU 45 H GLU 45 -8.616 0.721 11.069 299 HA GLU 45 HA GLU 45 -8.054 -1.917 12.120 300 1HB GLU 45 1HB GLU 45 -10.506 -0.142 12.253 301 2HB GLU 45 2HB GLU 45 -10.395 -1.702 13.070 302 1HG GLU 45 1HG GLU 45 -9.317 -0.712 14.776 303 2HG GLU 45 2HG GLU 45 -8.009 -0.279 13.673 304 H GLN 46 H GLN 46 -10.168 -0.671 9.547 305 HA GLN 46 HA GLN 46 -11.395 -3.241 9.099 306 1HB GLN 46 1HB GLN 46 -11.327 -0.755 7.379 307 2HB GLN 46 2HB GLN 46 -12.337 -2.169 7.071 308 1HG GLN 46 1HG GLN 46 -12.623 -1.239 9.811 309 2HG GLN 46 2HG GLN 46 -13.018 0.032 8.654 310 1HE2 GLN 46 1HE2 GLN 46 -15.195 -3.454 8.334 311 2HE2 GLN 46 2HE2 GLN 46 -13.542 -3.548 8.711 312 H ALA 47 H ALA 47 -9.158 -1.210 7.301 313 HA ALA 47 HA ALA 47 -8.408 -3.042 5.323 314 1HB ALA 47 1HB ALA 47 -6.826 -0.895 6.755 315 2HB ALA 47 2HB ALA 47 -6.178 -1.795 5.381 316 3HB ALA 47 3HB ALA 47 -7.603 -0.780 5.177 317 H LYS 48 H LYS 48 -6.891 -2.448 8.470 318 HA LYS 48 HA LYS 48 -4.981 -4.516 8.451 319 1HB LYS 48 1HB LYS 48 -5.115 -2.853 10.263 320 2HB LYS 48 2HB LYS 48 -6.645 -3.549 10.796 321 1HG LYS 48 1HG LYS 48 -5.279 -4.738 12.195 322 2HG LYS 48 2HG LYS 48 -5.122 -5.780 10.780 323 1HD LYS 48 1HD LYS 48 -3.052 -4.791 10.151 324 2HD LYS 48 2HD LYS 48 -3.280 -3.434 11.254 325 1HE LYS 48 1HE LYS 48 -3.298 -5.204 13.132 326 2HE LYS 48 2HE LYS 48 -2.626 -6.301 11.927 327 1HZ LYS 48 1HZ LYS 48 -1.129 -4.060 11.642 328 2HZ LYS 48 2HZ LYS 48 -1.373 -4.131 13.322 329 3HZ LYS 48 3HZ LYS 48 -0.672 -5.446 12.513 330 H SER 49 H SER 49 -8.265 -4.686 9.877 331 HA SER 49 HA SER 49 -8.394 -7.370 10.500 332 1HB SER 49 1HB SER 49 -10.309 -5.998 10.955 333 2HB SER 49 2HB SER 49 -10.502 -5.589 9.253 334 HG SER 49 HG SER 49 -11.611 -7.352 9.020 335 H PHE 50 H PHE 50 -8.565 -5.886 7.305 336 HA PHE 50 HA PHE 50 -9.167 -8.388 5.944 337 1HB PHE 50 1HB PHE 50 -9.505 -5.865 5.173 338 2HB PHE 50 2HB PHE 50 -7.873 -6.085 4.537 339 HD1 PHE 50 HD1 PHE 50 -7.551 -8.526 3.374 340 HD2 PHE 50 HD2 PHE 50 -11.242 -6.355 3.707 341 HE1 PHE 50 HE1 PHE 50 -8.471 -9.797 1.454 342 HE2 PHE 50 HE2 PHE 50 -12.163 -7.627 1.787 343 HZ PHE 50 HZ PHE 50 -10.777 -9.348 0.661 344 H LEU 51 H LEU 51 -6.256 -6.439 6.573 345 HA LEU 51 HA LEU 51 -4.437 -7.855 5.026 346 1HB LEU 51 1HB LEU 51 -3.918 -6.731 7.784 347 2HB LEU 51 2HB LEU 51 -2.744 -6.981 6.509 348 HG LEU 51 HG LEU 51 -4.917 -4.916 6.665 349 1HD1 LEU 51 1HD1 LEU 51 -1.965 -5.024 6.605 350 2HD1 LEU 51 2HD1 LEU 51 -2.682 -3.760 5.601 351 3HD1 LEU 51 3HD1 LEU 51 -3.032 -3.823 7.330 352 1HD2 LEU 51 1HD2 LEU 51 -3.905 -6.296 4.267 353 2HD2 LEU 51 2HD2 LEU 51 -5.354 -5.311 4.475 354 3HD2 LEU 51 3HD2 LEU 51 -3.792 -4.538 4.193 355 H GLY 52 H GLY 52 -5.288 -8.444 8.455 356 1HA GLY 52 1HA GLY 52 -5.519 -11.180 8.395 357 2HA GLY 52 2HA GLY 52 -3.780 -10.925 8.507 Start of MODEL 3 1 H GLY 6 H GLY 6 -8.607 12.608 -0.046 2 1HA GLY 6 1HA GLY 6 -7.281 10.702 -0.335 3 2HA GLY 6 2HA GLY 6 -6.583 11.069 1.242 4 H ASN 7 H ASN 7 -6.695 8.519 1.145 5 HA ASN 7 HA ASN 7 -9.006 7.780 2.770 6 1HB ASN 7 1HB ASN 7 -8.677 6.927 -0.022 7 2HB ASN 7 2HB ASN 7 -9.019 5.639 1.115 8 1HD2 ASN 7 1HD2 ASN 7 -11.853 8.562 0.522 9 2HD2 ASN 7 2HD2 ASN 7 -10.231 8.891 0.146 10 H PHE 8 H PHE 8 -8.784 5.148 2.966 11 HA PHE 8 HA PHE 8 -5.993 4.767 3.942 12 1HB PHE 8 1HB PHE 8 -8.588 3.344 4.600 13 2HB PHE 8 2HB PHE 8 -7.012 2.798 5.173 14 HD1 PHE 8 HD1 PHE 8 -9.336 5.718 5.170 15 HD2 PHE 8 HD2 PHE 8 -5.974 3.810 7.040 16 HE1 PHE 8 HE1 PHE 8 -9.430 7.366 7.019 17 HE2 PHE 8 HE2 PHE 8 -6.069 5.458 8.892 18 HZ PHE 8 HZ PHE 8 -7.797 7.237 8.881 19 H TYR 9 H TYR 9 -4.845 2.791 3.315 20 HA TYR 9 HA TYR 9 -6.182 1.286 1.120 21 1HB TYR 9 1HB TYR 9 -4.298 3.284 0.633 22 2HB TYR 9 2HB TYR 9 -3.416 1.760 0.436 23 HD1 TYR 9 HD1 TYR 9 -4.791 -0.129 -0.747 24 HD2 TYR 9 HD2 TYR 9 -5.500 4.070 -1.233 25 HE1 TYR 9 HE1 TYR 9 -5.887 -0.554 -2.900 26 HE2 TYR 9 HE2 TYR 9 -6.609 3.630 -3.410 27 HH TYR 9 HH TYR 9 -7.271 2.088 -4.852 28 H ALA 10 H ALA 10 -6.119 -0.802 1.925 29 HA ALA 10 HA ALA 10 -3.726 -1.752 3.355 30 1HB ALA 10 1HB ALA 10 -6.411 -2.670 3.047 31 2HB ALA 10 2HB ALA 10 -5.368 -3.896 2.330 32 3HB ALA 10 3HB ALA 10 -5.137 -3.411 4.013 33 H VAL 11 H VAL 11 -1.932 -2.060 2.102 34 HA VAL 11 HA VAL 11 -2.382 -3.165 -0.643 35 HB VAL 11 HB VAL 11 -0.565 -0.917 0.231 36 1HG1 VAL 11 1HG1 VAL 11 0.389 -2.356 -1.554 37 2HG1 VAL 11 2HG1 VAL 11 -1.058 -2.042 -2.525 38 3HG1 VAL 11 3HG1 VAL 11 0.017 -0.710 -2.102 39 1HG2 VAL 11 1HG2 VAL 11 -2.957 -0.349 0.116 40 2HG2 VAL 11 2HG2 VAL 11 -2.051 0.456 -1.163 41 3HG2 VAL 11 3HG2 VAL 11 -3.027 -0.966 -1.535 42 H ARG 12 H ARG 12 -0.483 -4.234 -1.606 43 HA ARG 12 HA ARG 12 1.563 -4.965 0.415 44 1HB ARG 12 1HB ARG 12 -0.417 -6.706 -0.347 45 2HB ARG 12 2HB ARG 12 0.874 -7.113 -1.479 46 1HG ARG 12 1HG ARG 12 2.342 -6.968 0.757 47 2HG ARG 12 2HG ARG 12 0.794 -7.397 1.489 48 1HD ARG 12 1HD ARG 12 2.242 -8.918 -0.697 49 2HD ARG 12 2HD ARG 12 2.008 -9.441 0.971 50 HE ARG 12 HE ARG 12 -0.366 -8.969 -0.775 51 1HH1 ARG 12 1HH1 ARG 12 0.217 -10.242 2.131 52 2HH1 ARG 12 2HH1 ARG 12 -0.272 -11.868 1.787 53 1HH2 ARG 12 1HH2 ARG 12 -0.392 -11.387 -1.646 54 2HH2 ARG 12 2HH2 ARG 12 -0.616 -12.516 -0.351 55 H LYS 13 H LYS 13 0.770 -5.328 -3.052 56 HA LYS 13 HA LYS 13 2.116 -4.962 -4.940 57 1HB LYS 13 1HB LYS 13 2.444 -2.756 -3.698 58 2HB LYS 13 2HB LYS 13 3.950 -3.434 -3.081 59 1HG LYS 13 1HG LYS 13 4.770 -2.435 -4.987 60 2HG LYS 13 2HG LYS 13 4.306 -3.991 -5.676 61 1HD LYS 13 1HD LYS 13 2.608 -3.085 -6.881 62 2HD LYS 13 2HD LYS 13 2.109 -2.035 -5.556 63 1HE LYS 13 1HE LYS 13 4.120 -0.593 -6.052 64 2HE LYS 13 2HE LYS 13 4.384 -1.568 -7.497 65 1HZ LYS 13 1HZ LYS 13 1.817 -0.990 -7.781 66 2HZ LYS 13 2HZ LYS 13 2.313 0.391 -6.931 67 3HZ LYS 13 3HZ LYS 13 3.057 -0.010 -8.404 68 H GLY 14 H GLY 14 4.632 -5.021 -2.396 69 1HA GLY 14 1HA GLY 14 5.408 -7.734 -2.755 70 2HA GLY 14 2HA GLY 14 6.369 -6.740 -3.851 71 H ARG 15 H ARG 15 6.437 -4.417 -2.101 72 HA ARG 15 HA ARG 15 8.784 -4.988 -0.603 73 1HB ARG 15 1HB ARG 15 7.451 -2.706 -1.320 74 2HB ARG 15 2HB ARG 15 7.118 -2.770 0.410 75 1HG ARG 15 1HG ARG 15 9.167 -1.553 0.171 76 2HG ARG 15 2HG ARG 15 9.610 -3.158 0.754 77 1HD ARG 15 1HD ARG 15 10.775 -3.621 -1.125 78 2HD ARG 15 2HD ARG 15 9.464 -3.055 -2.161 79 HE ARG 15 HE ARG 15 10.457 -0.870 -2.168 80 1HH1 ARG 15 1HH1 ARG 15 11.829 -2.861 0.265 81 2HH1 ARG 15 2HH1 ARG 15 13.340 -2.016 0.305 82 1HH2 ARG 15 1HH2 ARG 15 12.512 0.129 -2.289 83 2HH2 ARG 15 2HH2 ARG 15 13.727 -0.323 -1.140 84 H GLU 16 H GLU 16 5.702 -3.960 0.902 85 HA GLU 16 HA GLU 16 5.632 -6.268 2.670 86 1HB GLU 16 1HB GLU 16 7.116 -3.890 3.473 87 2HB GLU 16 2HB GLU 16 5.799 -4.247 4.591 88 1HG GLU 16 1HG GLU 16 6.825 -6.749 4.147 89 2HG GLU 16 2HG GLU 16 8.280 -5.754 4.068 90 H THR 17 H THR 17 3.508 -6.564 3.134 91 HA THR 17 HA THR 17 1.407 -4.971 2.271 92 HB THR 17 HB THR 17 0.986 -6.260 4.914 93 HG1 THR 17 HG1 THR 17 1.103 -8.328 3.771 94 1HG2 THR 17 1HG2 THR 17 -0.393 -5.873 2.328 95 2HG2 THR 17 2HG2 THR 17 -0.685 -7.429 3.105 96 3HG2 THR 17 3HG2 THR 17 -1.056 -5.933 3.961 97 H GLY 18 H GLY 18 0.711 -2.933 2.831 98 1HA GLY 18 1HA GLY 18 0.971 -2.066 5.644 99 2HA GLY 18 2HA GLY 18 1.857 -1.106 4.456 100 H ILE 19 H ILE 19 -0.468 -0.289 6.110 101 HA ILE 19 HA ILE 19 -2.457 0.088 3.989 102 HB ILE 19 HB ILE 19 -2.931 0.745 6.871 103 1HG1 ILE 19 1HG1 ILE 19 -3.024 -1.938 5.471 104 2HG1 ILE 19 2HG1 ILE 19 -2.190 -1.528 6.968 105 1HG2 ILE 19 1HG2 ILE 19 -4.488 1.446 4.967 106 2HG2 ILE 19 2HG2 ILE 19 -4.813 -0.269 4.726 107 3HG2 ILE 19 3HG2 ILE 19 -5.234 0.501 6.255 108 1HD1 ILE 19 1HD1 ILE 19 -5.008 -0.908 7.197 109 2HD1 ILE 19 2HD1 ILE 19 -4.786 -2.584 6.707 110 3HD1 ILE 19 3HD1 ILE 19 -4.027 -1.989 8.182 111 H TYR 20 H TYR 20 -2.775 2.078 3.112 112 HA TYR 20 HA TYR 20 -1.179 4.329 4.197 113 1HB TYR 20 1HB TYR 20 -2.975 4.377 1.787 114 2HB TYR 20 2HB TYR 20 -1.644 5.463 2.148 115 HD1 TYR 20 HD1 TYR 20 0.487 3.649 2.996 116 HD2 TYR 20 HD2 TYR 20 -2.353 3.236 -0.198 117 HE1 TYR 20 HE1 TYR 20 2.066 2.166 1.785 118 HE2 TYR 20 HE2 TYR 20 -0.773 1.755 -1.411 119 HH TYR 20 HH TYR 20 2.461 1.499 -0.652 120 H ASN 21 H ASN 21 -2.489 6.507 3.787 121 HA ASN 21 HA ASN 21 -5.306 6.420 4.501 122 1HB ASN 21 1HB ASN 21 -4.380 5.945 6.636 123 2HB ASN 21 2HB ASN 21 -3.096 7.125 6.395 124 1HD2 ASN 21 1HD2 ASN 21 -5.301 9.097 8.478 125 2HD2 ASN 21 2HD2 ASN 21 -3.997 8.013 8.559 126 H THR 22 H THR 22 -4.342 7.520 2.285 127 HA THR 22 HA THR 22 -4.595 10.381 2.711 128 HB THR 22 HB THR 22 -2.151 9.598 1.205 129 HG1 THR 22 HG1 THR 22 -1.062 9.770 3.315 130 1HG2 THR 22 1HG2 THR 22 -3.297 11.939 2.571 131 2HG2 THR 22 2HG2 THR 22 -1.562 11.723 2.805 132 3HG2 THR 22 3HG2 THR 22 -2.222 11.858 1.172 133 H TRP 23 H TRP 23 -4.513 11.559 0.581 134 HA TRP 23 HA TRP 23 -5.972 10.048 -1.467 135 1HB TRP 23 1HB TRP 23 -6.611 12.359 -1.145 136 2HB TRP 23 2HB TRP 23 -4.938 12.892 -1.303 137 HD1 TRP 23 HD1 TRP 23 -4.892 14.212 -3.499 138 HE1 TRP 23 HE1 TRP 23 -5.574 13.719 -5.937 139 HE3 TRP 23 HE3 TRP 23 -7.193 9.711 -2.867 140 HZ2 TRP 23 HZ2 TRP 23 -6.924 11.677 -7.423 141 HZ3 TRP 23 HZ3 TRP 23 -8.177 8.512 -4.804 142 HH2 TRP 23 HH2 TRP 23 -8.045 9.489 -7.079 143 H ASN 24 H ASN 24 -2.884 11.704 -1.107 144 HA ASN 24 HA ASN 24 -1.788 10.973 -3.620 145 1HB ASN 24 1HB ASN 24 -0.412 11.662 -1.015 146 2HB ASN 24 2HB ASN 24 0.378 11.610 -2.593 147 1HD2 ASN 24 1HD2 ASN 24 -0.615 14.891 -3.371 148 2HD2 ASN 24 2HD2 ASN 24 0.458 13.604 -3.640 149 H GLU 25 H GLU 25 -1.057 9.686 -0.356 150 HA GLU 25 HA GLU 25 0.542 7.523 -1.009 151 1HB GLU 25 1HB GLU 25 -1.738 7.656 0.980 152 2HB GLU 25 2HB GLU 25 -0.574 6.333 0.922 153 1HG GLU 25 1HG GLU 25 -0.074 9.237 1.575 154 2HG GLU 25 2HG GLU 25 0.265 7.819 2.569 155 H CYS 26 H CYS 26 -2.951 7.854 -1.354 156 HA CYS 26 HA CYS 26 -3.484 5.152 -2.144 157 1HB CYS 26 1HB CYS 26 -5.340 6.441 -1.448 158 2HB CYS 26 2HB CYS 26 -4.906 7.780 -2.510 159 HG CYS 26 HG CYS 26 -6.153 6.701 -4.363 160 H LYS 27 H LYS 27 -4.214 7.649 -4.419 161 HA LYS 27 HA LYS 27 -3.738 6.352 -6.762 162 1HB LYS 27 1HB LYS 27 -3.618 9.089 -5.755 163 2HB LYS 27 2HB LYS 27 -2.772 8.854 -7.292 164 1HG LYS 27 1HG LYS 27 -5.240 7.426 -7.427 165 2HG LYS 27 2HG LYS 27 -5.594 9.047 -6.828 166 1HD LYS 27 1HD LYS 27 -5.356 9.861 -8.910 167 2HD LYS 27 2HD LYS 27 -3.682 9.305 -8.927 168 1HE LYS 27 1HE LYS 27 -4.356 7.126 -9.756 169 2HE LYS 27 2HE LYS 27 -6.060 7.547 -9.591 170 1HZ LYS 27 1HZ LYS 27 -4.905 9.549 -11.107 171 2HZ LYS 27 2HZ LYS 27 -4.294 8.091 -11.732 172 3HZ LYS 27 3HZ LYS 27 -5.971 8.343 -11.640 173 H ASN 28 H ASN 28 -1.230 7.956 -4.773 174 HA ASN 28 HA ASN 28 0.947 7.589 -6.549 175 1HB ASN 28 1HB ASN 28 0.804 8.765 -4.188 176 2HB ASN 28 2HB ASN 28 1.332 7.188 -3.599 177 1HD2 ASN 28 1HD2 ASN 28 4.388 7.483 -5.748 178 2HD2 ASN 28 2HD2 ASN 28 3.082 6.402 -5.679 179 H GLN 29 H GLN 29 -0.335 5.407 -4.021 180 HA GLN 29 HA GLN 29 1.549 3.301 -4.627 181 1HB GLN 29 1HB GLN 29 0.314 1.970 -3.102 182 2HB GLN 29 2HB GLN 29 0.176 3.612 -2.475 183 1HG GLN 29 1HG GLN 29 -2.063 3.406 -2.567 184 2HG GLN 29 2HG GLN 29 -1.944 3.292 -4.320 185 1HE2 GLN 29 1HE2 GLN 29 -3.601 0.175 -3.266 186 2HE2 GLN 29 2HE2 GLN 29 -3.985 1.826 -3.321 187 H VAL 30 H VAL 30 -1.477 4.327 -6.007 188 HA VAL 30 HA VAL 30 -1.183 2.216 -8.057 189 HB VAL 30 HB VAL 30 -3.670 1.719 -7.878 190 1HG1 VAL 30 1HG1 VAL 30 -1.766 1.023 -5.628 191 2HG1 VAL 30 2HG1 VAL 30 -3.339 0.248 -5.834 192 3HG1 VAL 30 3HG1 VAL 30 -2.103 0.079 -7.082 193 1HG2 VAL 30 1HG2 VAL 30 -3.271 3.581 -5.606 194 2HG2 VAL 30 2HG2 VAL 30 -4.723 3.253 -6.552 195 3HG2 VAL 30 3HG2 VAL 30 -4.245 2.150 -5.262 196 H ASP 31 H ASP 31 -0.538 4.390 -9.040 197 HA ASP 31 HA ASP 31 -2.953 5.904 -9.939 198 1HB ASP 31 1HB ASP 31 -1.404 7.410 -8.916 199 2HB ASP 31 2HB ASP 31 -0.030 6.669 -9.735 200 H GLY 32 H GLY 32 -3.443 4.275 -11.564 201 1HA GLY 32 1HA GLY 32 -3.330 4.227 -14.049 202 2HA GLY 32 2HA GLY 32 -1.577 4.387 -13.900 203 H TYR 33 H TYR 33 -2.946 2.371 -11.534 204 HA TYR 33 HA TYR 33 -1.897 0.011 -12.947 205 1HB TYR 33 1HB TYR 33 -2.440 0.496 -10.011 206 2HB TYR 33 2HB TYR 33 -1.825 -1.017 -10.679 207 HD1 TYR 33 HD1 TYR 33 -1.072 2.658 -11.036 208 HD2 TYR 33 HD2 TYR 33 0.468 -1.318 -10.508 209 HE1 TYR 33 HE1 TYR 33 1.232 3.558 -10.994 210 HE2 TYR 33 HE2 TYR 33 2.774 -0.416 -10.459 211 HH TYR 33 HH TYR 33 4.037 1.404 -10.507 212 H GLY 34 H GLY 34 -3.777 -0.481 -14.196 213 1HA GLY 34 1HA GLY 34 -6.390 -0.726 -12.951 214 2HA GLY 34 2HA GLY 34 -5.972 -1.240 -14.581 215 H GLY 35 H GLY 35 -3.692 -2.641 -12.690 216 1HA GLY 35 1HA GLY 35 -5.384 -4.965 -11.925 217 2HA GLY 35 2HA GLY 35 -4.046 -5.244 -13.039 218 H ALA 36 H ALA 36 -3.706 -2.848 -10.526 219 HA ALA 36 HA ALA 36 -1.399 -4.240 -9.417 220 1HB ALA 36 1HB ALA 36 -2.648 -1.625 -9.155 221 2HB ALA 36 2HB ALA 36 -2.207 -2.283 -7.579 222 3HB ALA 36 3HB ALA 36 -0.976 -2.095 -8.835 223 H ILE 37 H ILE 37 -1.235 -4.920 -7.144 224 HA ILE 37 HA ILE 37 -3.730 -6.189 -6.231 225 HB ILE 37 HB ILE 37 -1.126 -7.006 -5.983 226 1HG1 ILE 37 1HG1 ILE 37 -3.070 -8.426 -5.662 227 2HG1 ILE 37 2HG1 ILE 37 -2.051 -8.561 -4.226 228 1HG2 ILE 37 1HG2 ILE 37 -1.903 -5.747 -3.345 229 2HG2 ILE 37 2HG2 ILE 37 -0.522 -6.819 -3.595 230 3HG2 ILE 37 3HG2 ILE 37 -0.564 -5.237 -4.376 231 1HD1 ILE 37 1HD1 ILE 37 -3.586 -6.433 -3.514 232 2HD1 ILE 37 2HD1 ILE 37 -4.730 -7.312 -4.531 233 3HD1 ILE 37 3HD1 ILE 37 -4.011 -8.103 -3.128 234 H TYR 38 H TYR 38 -5.013 -5.273 -4.662 235 HA TYR 38 HA TYR 38 -3.933 -3.565 -2.649 236 1HB TYR 38 1HB TYR 38 -4.474 -1.437 -3.396 237 2HB TYR 38 2HB TYR 38 -3.776 -2.197 -4.805 238 HD1 TYR 38 HD1 TYR 38 -7.180 -1.779 -3.214 239 HD2 TYR 38 HD2 TYR 38 -4.872 -1.955 -6.831 240 HE1 TYR 38 HE1 TYR 38 -9.209 -1.234 -4.518 241 HE2 TYR 38 HE2 TYR 38 -6.901 -1.415 -8.144 242 HH TYR 38 HH TYR 38 -9.060 -0.417 -7.878 243 H LYS 39 H LYS 39 -5.319 -3.257 -1.009 244 HA LYS 39 HA LYS 39 -8.171 -4.046 -1.425 245 1HB LYS 39 1HB LYS 39 -6.884 -4.084 1.286 246 2HB LYS 39 2HB LYS 39 -8.177 -5.100 0.654 247 1HG LYS 39 1HG LYS 39 -5.304 -5.249 -0.296 248 2HG LYS 39 2HG LYS 39 -5.987 -6.309 0.937 249 1HD LYS 39 1HD LYS 39 -7.839 -6.398 -1.158 250 2HD LYS 39 2HD LYS 39 -6.267 -6.442 -1.957 251 1HE LYS 39 1HE LYS 39 -7.200 -8.711 -1.287 252 2HE LYS 39 2HE LYS 39 -5.578 -8.359 -0.691 253 1HZ LYS 39 1HZ LYS 39 -7.770 -7.517 1.016 254 2HZ LYS 39 2HZ LYS 39 -7.559 -9.196 0.866 255 3HZ LYS 39 3HZ LYS 39 -6.282 -8.230 1.426 256 H LYS 40 H LYS 40 -8.546 -1.789 -2.013 257 HA LYS 40 HA LYS 40 -7.854 0.496 -0.596 258 1HB LYS 40 1HB LYS 40 -9.128 0.546 -2.693 259 2HB LYS 40 2HB LYS 40 -10.530 -0.130 -1.871 260 1HG LYS 40 1HG LYS 40 -11.155 2.005 -1.540 261 2HG LYS 40 2HG LYS 40 -9.902 2.047 -0.304 262 1HD LYS 40 1HD LYS 40 -8.301 2.953 -1.841 263 2HD LYS 40 2HD LYS 40 -9.380 2.689 -3.210 264 1HE LYS 40 1HE LYS 40 -10.246 4.418 -0.904 265 2HE LYS 40 2HE LYS 40 -9.230 5.083 -2.184 266 1HZ LYS 40 1HZ LYS 40 -11.069 3.825 -3.623 267 2HZ LYS 40 2HZ LYS 40 -12.006 4.232 -2.266 268 3HZ LYS 40 3HZ LYS 40 -11.213 5.447 -3.151 269 H PHE 41 H PHE 41 -8.813 1.647 1.143 270 HA PHE 41 HA PHE 41 -10.981 0.404 2.682 271 1HB PHE 41 1HB PHE 41 -8.171 0.008 3.396 272 2HB PHE 41 2HB PHE 41 -9.156 0.678 4.703 273 HD1 PHE 41 HD1 PHE 41 -11.531 -0.422 5.005 274 HD2 PHE 41 HD2 PHE 41 -8.211 -2.311 3.047 275 HE1 PHE 41 HE1 PHE 41 -12.578 -2.639 5.367 276 HE2 PHE 41 HE2 PHE 41 -9.251 -4.530 3.418 277 HZ PHE 41 HZ PHE 41 -11.437 -4.695 4.578 278 H ASN 42 H ASN 42 -11.570 1.715 4.563 279 HA ASN 42 HA ASN 42 -10.618 4.536 4.394 280 1HB ASN 42 1HB ASN 42 -12.898 3.939 3.298 281 2HB ASN 42 2HB ASN 42 -13.471 3.772 4.954 282 1HD2 ASN 42 1HD2 ASN 42 -12.828 7.319 5.669 283 2HD2 ASN 42 2HD2 ASN 42 -12.542 5.805 6.382 284 H SER 43 H SER 43 -9.724 2.528 6.197 285 HA SER 43 HA SER 43 -10.047 3.799 8.711 286 1HB SER 43 1HB SER 43 -12.109 1.827 8.002 287 2HB SER 43 2HB SER 43 -11.297 1.474 9.524 288 HG SER 43 HG SER 43 -12.921 3.613 8.796 289 H TYR 44 H TYR 44 -7.852 3.413 8.868 290 HA TYR 44 HA TYR 44 -6.264 1.291 8.229 291 1HB TYR 44 1HB TYR 44 -5.587 3.377 9.494 292 2HB TYR 44 2HB TYR 44 -6.141 2.581 10.966 293 HD1 TYR 44 HD1 TYR 44 -3.790 2.215 8.085 294 HD2 TYR 44 HD2 TYR 44 -4.772 1.017 12.092 295 HE1 TYR 44 HE1 TYR 44 -1.622 1.024 8.261 296 HE2 TYR 44 HE2 TYR 44 -2.605 -0.177 12.265 297 HH TYR 44 HH TYR 44 -0.497 -0.571 9.487 298 H GLU 45 H GLU 45 -8.712 1.261 10.737 299 HA GLU 45 HA GLU 45 -7.799 -1.192 12.002 300 1HB GLU 45 1HB GLU 45 -10.509 0.169 12.079 301 2HB GLU 45 2HB GLU 45 -9.995 -1.143 13.140 302 1HG GLU 45 1HG GLU 45 -7.939 0.516 13.562 303 2HG GLU 45 2HG GLU 45 -9.152 1.720 13.122 304 H GLN 46 H GLN 46 -10.066 -0.426 9.389 305 HA GLN 46 HA GLN 46 -11.097 -3.106 9.253 306 1HB GLN 46 1HB GLN 46 -11.155 -0.879 7.212 307 2HB GLN 46 2HB GLN 46 -12.110 -2.361 7.134 308 1HG GLN 46 1HG GLN 46 -12.523 -1.231 9.711 309 2HG GLN 46 2HG GLN 46 -12.710 0.071 8.533 310 1HE2 GLN 46 1HE2 GLN 46 -15.172 -3.200 8.054 311 2HE2 GLN 46 2HE2 GLN 46 -13.573 -3.443 8.569 312 H ALA 47 H ALA 47 -9.003 -1.172 7.202 313 HA ALA 47 HA ALA 47 -8.104 -3.165 5.473 314 1HB ALA 47 1HB ALA 47 -6.779 -0.713 6.630 315 2HB ALA 47 2HB ALA 47 -5.918 -1.760 5.497 316 3HB ALA 47 3HB ALA 47 -7.401 -0.952 4.996 317 H LYS 48 H LYS 48 -6.714 -2.155 8.580 318 HA LYS 48 HA LYS 48 -4.651 -4.051 8.847 319 1HB LYS 48 1HB LYS 48 -6.350 -2.530 10.742 320 2HB LYS 48 2HB LYS 48 -5.584 -3.973 11.396 321 1HG LYS 48 1HG LYS 48 -3.599 -2.699 9.854 322 2HG LYS 48 2HG LYS 48 -4.386 -1.416 10.776 323 1HD LYS 48 1HD LYS 48 -3.860 -2.405 12.841 324 2HD LYS 48 2HD LYS 48 -3.598 -3.993 12.120 325 1HE LYS 48 1HE LYS 48 -1.807 -2.042 10.947 326 2HE LYS 48 2HE LYS 48 -1.636 -2.062 12.703 327 1HZ LYS 48 1HZ LYS 48 -1.842 -4.664 11.440 328 2HZ LYS 48 2HZ LYS 48 -0.431 -3.792 11.069 329 3HZ LYS 48 3HZ LYS 48 -0.818 -4.138 12.688 330 H SER 49 H SER 49 -7.928 -4.368 10.217 331 HA SER 49 HA SER 49 -7.917 -6.988 11.030 332 1HB SER 49 1HB SER 49 -9.858 -5.179 10.822 333 2HB SER 49 2HB SER 49 -10.258 -6.122 9.387 334 HG SER 49 HG SER 49 -11.261 -6.847 11.378 335 H PHE 50 H PHE 50 -8.114 -5.810 7.704 336 HA PHE 50 HA PHE 50 -8.524 -8.458 6.558 337 1HB PHE 50 1HB PHE 50 -8.124 -5.694 5.570 338 2HB PHE 50 2HB PHE 50 -7.530 -6.968 4.507 339 HD1 PHE 50 HD1 PHE 50 -10.271 -7.754 6.781 340 HD2 PHE 50 HD2 PHE 50 -9.284 -6.358 2.840 341 HE1 PHE 50 HE1 PHE 50 -12.590 -8.220 6.036 342 HE2 PHE 50 HE2 PHE 50 -11.603 -6.824 2.095 343 HZ PHE 50 HZ PHE 50 -13.255 -7.754 3.693 344 H LEU 51 H LEU 51 -5.772 -6.303 7.124 345 HA LEU 51 HA LEU 51 -3.760 -7.494 5.712 346 1HB LEU 51 1HB LEU 51 -3.651 -6.522 8.571 347 2HB LEU 51 2HB LEU 51 -2.267 -6.736 7.516 348 HG LEU 51 HG LEU 51 -4.523 -4.762 7.224 349 1HD1 LEU 51 1HD1 LEU 51 -1.680 -4.696 7.970 350 2HD1 LEU 51 2HD1 LEU 51 -2.113 -3.507 6.740 351 3HD1 LEU 51 3HD1 LEU 51 -2.951 -3.517 8.294 352 1HD2 LEU 51 1HD2 LEU 51 -2.616 -5.833 5.173 353 2HD2 LEU 51 2HD2 LEU 51 -4.332 -5.453 5.012 354 3HD2 LEU 51 3HD2 LEU 51 -3.145 -4.151 5.088 355 H GLY 52 H GLY 52 -5.460 -8.844 8.466 356 1HA GLY 52 1HA GLY 52 -5.222 -11.434 8.267 357 2HA GLY 52 2HA GLY 52 -3.517 -11.100 8.545 Start of MODEL 4 1 H GLY 6 H GLY 6 -7.681 12.330 0.813 2 1HA GLY 6 1HA GLY 6 -6.240 10.922 2.012 3 2HA GLY 6 2HA GLY 6 -7.084 11.459 3.462 4 H ASN 7 H ASN 7 -6.786 8.878 1.142 5 HA ASN 7 HA ASN 7 -9.064 7.490 2.397 6 1HB ASN 7 1HB ASN 7 -7.492 6.726 -0.051 7 2HB ASN 7 2HB ASN 7 -8.950 5.951 0.525 8 1HD2 ASN 7 1HD2 ASN 7 -11.050 8.785 -0.404 9 2HD2 ASN 7 2HD2 ASN 7 -10.863 7.667 0.858 10 H PHE 8 H PHE 8 -8.725 5.127 2.802 11 HA PHE 8 HA PHE 8 -6.015 4.683 3.973 12 1HB PHE 8 1HB PHE 8 -8.662 3.267 4.439 13 2HB PHE 8 2HB PHE 8 -7.138 2.801 5.195 14 HD1 PHE 8 HD1 PHE 8 -9.341 5.802 4.706 15 HD2 PHE 8 HD2 PHE 8 -6.548 3.752 7.248 16 HE1 PHE 8 HE1 PHE 8 -9.701 7.503 6.474 17 HE2 PHE 8 HE2 PHE 8 -6.909 5.455 9.015 18 HZ PHE 8 HZ PHE 8 -8.485 7.329 8.629 19 H TYR 9 H TYR 9 -4.768 2.887 3.232 20 HA TYR 9 HA TYR 9 -6.077 1.207 1.147 21 1HB TYR 9 1HB TYR 9 -4.346 3.321 0.540 22 2HB TYR 9 2HB TYR 9 -3.400 1.841 0.334 23 HD1 TYR 9 HD1 TYR 9 -4.873 -0.155 -0.654 24 HD2 TYR 9 HD2 TYR 9 -5.487 4.021 -1.401 25 HE1 TYR 9 HE1 TYR 9 -6.003 -0.688 -2.760 26 HE2 TYR 9 HE2 TYR 9 -6.623 3.474 -3.539 27 HH TYR 9 HH TYR 9 -6.367 1.063 -5.181 28 H ALA 10 H ALA 10 -5.817 -0.837 2.001 29 HA ALA 10 HA ALA 10 -3.300 -1.548 3.373 30 1HB ALA 10 1HB ALA 10 -5.875 -2.980 2.726 31 2HB ALA 10 2HB ALA 10 -4.442 -3.923 3.140 32 3HB ALA 10 3HB ALA 10 -5.096 -2.762 4.296 33 H VAL 11 H VAL 11 -1.730 -1.300 1.773 34 HA VAL 11 HA VAL 11 -2.154 -2.817 -0.766 35 HB VAL 11 HB VAL 11 -0.281 -0.529 -0.168 36 1HG1 VAL 11 1HG1 VAL 11 0.369 -2.025 -2.039 37 2HG1 VAL 11 2HG1 VAL 11 -1.210 -1.720 -2.781 38 3HG1 VAL 11 3HG1 VAL 11 -0.067 -0.393 -2.578 39 1HG2 VAL 11 1HG2 VAL 11 -3.017 -0.603 -1.466 40 2HG2 VAL 11 2HG2 VAL 11 -2.593 0.183 0.057 41 3HG2 VAL 11 3HG2 VAL 11 -1.948 0.801 -1.464 42 H ARG 12 H ARG 12 -0.402 -3.957 -1.721 43 HA ARG 12 HA ARG 12 2.024 -4.307 -0.090 44 1HB ARG 12 1HB ARG 12 0.604 -6.069 0.782 45 2HB ARG 12 2HB ARG 12 0.192 -6.596 -0.849 46 1HG ARG 12 1HG ARG 12 2.654 -7.062 -1.218 47 2HG ARG 12 2HG ARG 12 2.900 -6.763 0.503 48 1HD ARG 12 1HD ARG 12 0.788 -8.711 -0.368 49 2HD ARG 12 2HD ARG 12 2.476 -9.217 -0.352 50 HE ARG 12 HE ARG 12 2.404 -8.378 2.116 51 1HH1 ARG 12 1HH1 ARG 12 -0.101 -7.701 2.912 52 2HH1 ARG 12 2HH1 ARG 12 -0.987 -9.166 3.178 53 1HH2 ARG 12 1HH2 ARG 12 1.205 -11.137 1.352 54 2HH2 ARG 12 2HH2 ARG 12 -0.246 -11.111 2.296 55 H LYS 13 H LYS 13 0.478 -4.296 -3.167 56 HA LYS 13 HA LYS 13 1.284 -4.742 -5.329 57 1HB LYS 13 1HB LYS 13 3.386 -3.256 -3.825 58 2HB LYS 13 2HB LYS 13 3.842 -3.935 -5.388 59 1HG LYS 13 1HG LYS 13 1.224 -2.580 -5.384 60 2HG LYS 13 2HG LYS 13 2.591 -1.514 -5.058 61 1HD LYS 13 1HD LYS 13 2.643 -1.454 -7.361 62 2HD LYS 13 2HD LYS 13 3.644 -2.883 -7.105 63 1HE LYS 13 1HE LYS 13 1.645 -4.321 -7.352 64 2HE LYS 13 2HE LYS 13 0.660 -2.887 -7.642 65 1HZ LYS 13 1HZ LYS 13 2.478 -2.459 -9.453 66 2HZ LYS 13 2HZ LYS 13 2.673 -4.141 -9.360 67 3HZ LYS 13 3HZ LYS 13 1.160 -3.485 -9.766 68 H GLY 14 H GLY 14 4.508 -5.246 -4.068 69 1HA GLY 14 1HA GLY 14 4.209 -8.166 -4.655 70 2HA GLY 14 2HA GLY 14 5.654 -7.253 -5.095 71 H ARG 15 H ARG 15 5.499 -5.691 -2.549 72 HA ARG 15 HA ARG 15 5.798 -7.623 -0.387 73 1HB ARG 15 1HB ARG 15 8.222 -7.129 -0.012 74 2HB ARG 15 2HB ARG 15 7.931 -8.010 -1.511 75 1HG ARG 15 1HG ARG 15 8.842 -6.345 -2.718 76 2HG ARG 15 2HG ARG 15 7.724 -5.180 -2.009 77 1HD ARG 15 1HD ARG 15 9.571 -4.273 -1.055 78 2HD ARG 15 2HD ARG 15 9.476 -5.630 0.067 79 HE ARG 15 HE ARG 15 11.010 -6.049 -2.433 80 1HH1 ARG 15 1HH1 ARG 15 12.073 -8.003 -1.094 81 2HH1 ARG 15 2HH1 ARG 15 13.181 -7.395 0.090 82 1HH2 ARG 15 1HH2 ARG 15 11.933 -4.162 -0.012 83 2HH2 ARG 15 2HH2 ARG 15 13.101 -5.222 0.703 84 H GLU 16 H GLU 16 6.899 -6.329 1.566 85 HA GLU 16 HA GLU 16 6.627 -4.526 3.047 86 1HB GLU 16 1HB GLU 16 7.653 -3.506 0.597 87 2HB GLU 16 2HB GLU 16 6.434 -2.364 1.164 88 1HG GLU 16 1HG GLU 16 7.650 -1.776 3.005 89 2HG GLU 16 2HG GLU 16 8.265 -3.412 3.245 90 H THR 17 H THR 17 4.311 -5.630 2.986 91 HA THR 17 HA THR 17 2.211 -4.035 1.733 92 HB THR 17 HB THR 17 1.937 -6.467 2.124 93 HG1 THR 17 HG1 THR 17 0.147 -5.025 3.769 94 1HG2 THR 17 1HG2 THR 17 2.784 -5.675 4.783 95 2HG2 THR 17 2HG2 THR 17 1.269 -6.572 4.847 96 3HG2 THR 17 3HG2 THR 17 2.686 -7.290 4.082 97 H GLY 18 H GLY 18 0.909 -2.475 2.729 98 1HA GLY 18 1HA GLY 18 0.934 -2.098 5.609 99 2HA GLY 18 2HA GLY 18 1.897 -0.873 4.777 100 H ILE 19 H ILE 19 -0.443 -0.212 6.214 101 HA ILE 19 HA ILE 19 -2.435 0.255 4.109 102 HB ILE 19 HB ILE 19 -2.825 0.870 7.021 103 1HG1 ILE 19 1HG1 ILE 19 -3.045 -1.772 5.561 104 2HG1 ILE 19 2HG1 ILE 19 -2.167 -1.424 7.051 105 1HG2 ILE 19 1HG2 ILE 19 -4.396 1.653 5.137 106 2HG2 ILE 19 2HG2 ILE 19 -4.826 -0.048 4.950 107 3HG2 ILE 19 3HG2 ILE 19 -5.135 0.777 6.478 108 1HD1 ILE 19 1HD1 ILE 19 -4.884 -0.671 7.467 109 2HD1 ILE 19 2HD1 ILE 19 -4.879 -2.281 6.750 110 3HD1 ILE 19 3HD1 ILE 19 -3.991 -1.978 8.242 111 H TYR 20 H TYR 20 -2.486 2.223 3.154 112 HA TYR 20 HA TYR 20 -1.008 4.461 4.411 113 1HB TYR 20 1HB TYR 20 -2.558 4.458 1.836 114 2HB TYR 20 2HB TYR 20 -1.355 5.633 2.326 115 HD1 TYR 20 HD1 TYR 20 1.040 4.678 2.876 116 HD2 TYR 20 HD2 TYR 20 -1.880 2.656 0.478 117 HE1 TYR 20 HE1 TYR 20 2.833 3.303 1.844 118 HE2 TYR 20 HE2 TYR 20 -0.103 1.283 -0.568 119 HH TYR 20 HH TYR 20 2.682 1.819 -0.863 120 H ASN 21 H ASN 21 -2.271 6.655 3.976 121 HA ASN 21 HA ASN 21 -5.149 6.474 4.460 122 1HB ASN 21 1HB ASN 21 -4.372 6.062 6.641 123 2HB ASN 21 2HB ASN 21 -3.082 7.245 6.471 124 1HD2 ASN 21 1HD2 ASN 21 -5.347 9.326 8.336 125 2HD2 ASN 21 2HD2 ASN 21 -3.984 8.324 8.473 126 H THR 22 H THR 22 -4.360 7.636 2.287 127 HA THR 22 HA THR 22 -4.612 10.493 2.756 128 HB THR 22 HB THR 22 -2.295 9.851 1.038 129 HG1 THR 22 HG1 THR 22 -1.947 8.485 2.818 130 1HG2 THR 22 1HG2 THR 22 -3.332 12.033 2.692 131 2HG2 THR 22 2HG2 THR 22 -1.587 11.809 2.821 132 3HG2 THR 22 3HG2 THR 22 -2.325 12.090 1.240 133 H TRP 23 H TRP 23 -4.879 11.664 0.677 134 HA TRP 23 HA TRP 23 -6.217 9.973 -1.320 135 1HB TRP 23 1HB TRP 23 -7.227 12.124 -0.982 136 2HB TRP 23 2HB TRP 23 -5.670 12.942 -1.115 137 HD1 TRP 23 HD1 TRP 23 -5.858 14.307 -3.280 138 HE1 TRP 23 HE1 TRP 23 -6.405 13.754 -5.738 139 HE3 TRP 23 HE3 TRP 23 -7.327 9.446 -2.778 140 HZ2 TRP 23 HZ2 TRP 23 -7.341 11.534 -7.287 141 HZ3 TRP 23 HZ3 TRP 23 -8.043 8.136 -4.755 142 HH2 TRP 23 HH2 TRP 23 -8.054 9.173 -7.007 143 H ASN 24 H ASN 24 -3.470 12.200 -1.152 144 HA ASN 24 HA ASN 24 -2.369 11.653 -3.683 145 1HB ASN 24 1HB ASN 24 -1.535 13.569 -2.564 146 2HB ASN 24 2HB ASN 24 -1.180 12.651 -1.101 147 1HD2 ASN 24 1HD2 ASN 24 1.484 12.610 -4.212 148 2HD2 ASN 24 2HD2 ASN 24 -0.072 13.250 -4.436 149 H GLU 25 H GLU 25 -1.365 10.372 -0.500 150 HA GLU 25 HA GLU 25 0.518 8.511 -1.388 151 1HB GLU 25 1HB GLU 25 -1.505 8.241 0.847 152 2HB GLU 25 2HB GLU 25 -0.137 7.155 0.620 153 1HG GLU 25 1HG GLU 25 -0.102 10.090 1.320 154 2HG GLU 25 2HG GLU 25 0.622 8.742 2.200 155 H CYS 26 H CYS 26 -3.002 8.074 -1.041 156 HA CYS 26 HA CYS 26 -3.265 5.424 -1.812 157 1HB CYS 26 1HB CYS 26 -5.213 6.563 -1.141 158 2HB CYS 26 2HB CYS 26 -4.972 7.837 -2.335 159 HG CYS 26 HG CYS 26 -6.237 6.482 -3.976 160 H LYS 27 H LYS 27 -4.150 7.792 -4.162 161 HA LYS 27 HA LYS 27 -3.695 6.327 -6.461 162 1HB LYS 27 1HB LYS 27 -3.879 9.109 -5.589 163 2HB LYS 27 2HB LYS 27 -3.043 8.915 -7.141 164 1HG LYS 27 1HG LYS 27 -5.100 7.291 -7.639 165 2HG LYS 27 2HG LYS 27 -5.886 8.296 -6.419 166 1HD LYS 27 1HD LYS 27 -6.219 9.890 -7.968 167 2HD LYS 27 2HD LYS 27 -4.474 10.041 -8.168 168 1HE LYS 27 1HE LYS 27 -4.525 8.154 -9.788 169 2HE LYS 27 2HE LYS 27 -6.280 8.090 -9.628 170 1HZ LYS 27 1HZ LYS 27 -4.981 10.635 -10.314 171 2HZ LYS 27 2HZ LYS 27 -5.201 9.466 -11.523 172 3HZ LYS 27 3HZ LYS 27 -6.545 10.088 -10.690 173 H ASN 28 H ASN 28 -1.340 7.770 -4.328 174 HA ASN 28 HA ASN 28 0.845 7.870 -6.224 175 1HB ASN 28 1HB ASN 28 0.770 9.144 -4.057 176 2HB ASN 28 2HB ASN 28 0.970 7.612 -3.204 177 1HD2 ASN 28 1HD2 ASN 28 4.390 7.200 -4.332 178 2HD2 ASN 28 2HD2 ASN 28 2.991 6.296 -4.003 179 H GLN 29 H GLN 29 -0.238 5.529 -3.789 180 HA GLN 29 HA GLN 29 1.887 3.639 -4.409 181 1HB GLN 29 1HB GLN 29 -0.617 2.670 -3.140 182 2HB GLN 29 2HB GLN 29 1.056 2.357 -2.694 183 1HG GLN 29 1HG GLN 29 0.835 3.868 -1.045 184 2HG GLN 29 2HG GLN 29 0.631 5.123 -2.256 185 1HE2 GLN 29 1HE2 GLN 29 -2.446 5.161 -0.178 186 2HE2 GLN 29 2HE2 GLN 29 -0.802 5.505 0.056 187 H VAL 30 H VAL 30 -1.357 4.267 -5.549 188 HA VAL 30 HA VAL 30 -0.964 2.192 -7.626 189 HB VAL 30 HB VAL 30 -3.299 1.350 -7.215 190 1HG1 VAL 30 1HG1 VAL 30 -1.065 0.387 -6.222 191 2HG1 VAL 30 2HG1 VAL 30 -1.688 1.002 -4.688 192 3HG1 VAL 30 3HG1 VAL 30 -2.605 -0.204 -5.597 193 1HG2 VAL 30 1HG2 VAL 30 -2.978 3.207 -4.863 194 2HG2 VAL 30 2HG2 VAL 30 -4.328 3.089 -5.993 195 3HG2 VAL 30 3HG2 VAL 30 -4.070 1.824 -4.793 196 H ASP 31 H ASP 31 -0.820 3.937 -9.128 197 HA ASP 31 HA ASP 31 -3.340 5.491 -9.495 198 1HB ASP 31 1HB ASP 31 -1.589 7.063 -9.169 199 2HB ASP 31 2HB ASP 31 -0.469 6.132 -10.161 200 H GLY 32 H GLY 32 -0.673 4.113 -11.346 201 1HA GLY 32 1HA GLY 32 -2.574 3.611 -13.590 202 2HA GLY 32 2HA GLY 32 -0.823 3.734 -13.772 203 H TYR 33 H TYR 33 -2.963 1.818 -11.641 204 HA TYR 33 HA TYR 33 -1.543 -0.586 -12.600 205 1HB TYR 33 1HB TYR 33 -2.515 -0.111 -9.773 206 2HB TYR 33 2HB TYR 33 -1.626 -1.520 -10.355 207 HD1 TYR 33 HD1 TYR 33 -1.318 2.227 -10.391 208 HD2 TYR 33 HD2 TYR 33 0.662 -1.563 -9.983 209 HE1 TYR 33 HE1 TYR 33 0.827 3.393 -9.958 210 HE2 TYR 33 HE2 TYR 33 2.808 -0.397 -9.552 211 HH TYR 33 HH TYR 33 3.587 1.781 -8.756 212 H GLY 34 H GLY 34 -3.208 -1.175 -14.029 213 1HA GLY 34 1HA GLY 34 -5.990 -1.217 -13.196 214 2HA GLY 34 2HA GLY 34 -5.349 -1.897 -14.689 215 H GLY 35 H GLY 35 -3.496 -3.104 -12.227 216 1HA GLY 35 1HA GLY 35 -5.330 -5.274 -11.444 217 2HA GLY 35 2HA GLY 35 -3.983 -5.759 -12.473 218 H ALA 36 H ALA 36 -3.431 -3.123 -10.297 219 HA ALA 36 HA ALA 36 -1.262 -4.461 -8.983 220 1HB ALA 36 1HB ALA 36 -2.590 -1.867 -8.804 221 2HB ALA 36 2HB ALA 36 -2.109 -2.479 -7.221 222 3HB ALA 36 3HB ALA 36 -0.902 -2.280 -8.498 223 H ILE 37 H ILE 37 -1.150 -5.163 -6.760 224 HA ILE 37 HA ILE 37 -3.685 -6.350 -5.838 225 HB ILE 37 HB ILE 37 -1.140 -7.290 -5.628 226 1HG1 ILE 37 1HG1 ILE 37 -3.173 -8.570 -5.170 227 2HG1 ILE 37 2HG1 ILE 37 -2.049 -8.768 -3.823 228 1HG2 ILE 37 1HG2 ILE 37 -1.736 -5.890 -3.011 229 2HG2 ILE 37 2HG2 ILE 37 -0.427 -7.049 -3.269 230 3HG2 ILE 37 3HG2 ILE 37 -0.420 -5.506 -4.121 231 1HD1 ILE 37 1HD1 ILE 37 -3.396 -6.534 -3.025 232 2HD1 ILE 37 2HD1 ILE 37 -4.666 -7.385 -3.906 233 3HD1 ILE 37 3HD1 ILE 37 -3.853 -8.173 -2.555 234 H TYR 38 H TYR 38 -4.897 -5.407 -4.230 235 HA TYR 38 HA TYR 38 -3.753 -3.741 -2.233 236 1HB TYR 38 1HB TYR 38 -4.410 -1.569 -2.949 237 2HB TYR 38 2HB TYR 38 -3.437 -2.282 -4.214 238 HD1 TYR 38 HD1 TYR 38 -7.081 -2.066 -3.226 239 HD2 TYR 38 HD2 TYR 38 -4.180 -2.106 -6.392 240 HE1 TYR 38 HE1 TYR 38 -8.880 -1.627 -4.864 241 HE2 TYR 38 HE2 TYR 38 -5.980 -1.685 -8.041 242 HH TYR 38 HH TYR 38 -9.343 -1.153 -6.999 243 H LYS 39 H LYS 39 -5.130 -3.311 -0.625 244 HA LYS 39 HA LYS 39 -7.974 -4.125 -0.999 245 1HB LYS 39 1HB LYS 39 -5.968 -4.630 1.109 246 2HB LYS 39 2HB LYS 39 -7.536 -4.103 1.721 247 1HG LYS 39 1HG LYS 39 -7.366 -6.588 1.480 248 2HG LYS 39 2HG LYS 39 -8.662 -5.888 0.509 249 1HD LYS 39 1HD LYS 39 -7.655 -6.435 -1.456 250 2HD LYS 39 2HD LYS 39 -6.048 -6.022 -0.856 251 1HE LYS 39 1HE LYS 39 -5.713 -8.272 -0.847 252 2HE LYS 39 2HE LYS 39 -6.630 -8.226 0.659 253 1HZ LYS 39 1HZ LYS 39 -8.668 -8.493 -0.739 254 2HZ LYS 39 2HZ LYS 39 -7.651 -8.805 -2.064 255 3HZ LYS 39 3HZ LYS 39 -7.638 -9.840 -0.717 256 H LYS 40 H LYS 40 -8.261 -1.889 -1.797 257 HA LYS 40 HA LYS 40 -7.674 0.469 -0.420 258 1HB LYS 40 1HB LYS 40 -8.679 0.416 -2.659 259 2HB LYS 40 2HB LYS 40 -10.177 -0.207 -1.981 260 1HG LYS 40 1HG LYS 40 -10.206 2.250 -2.441 261 2HG LYS 40 2HG LYS 40 -10.554 1.835 -0.766 262 1HD LYS 40 1HD LYS 40 -8.774 3.008 -0.040 263 2HD LYS 40 2HD LYS 40 -7.706 2.168 -1.162 264 1HE LYS 40 1HE LYS 40 -9.295 4.690 -1.610 265 2HE LYS 40 2HE LYS 40 -7.569 4.424 -1.845 266 1HZ LYS 40 1HZ LYS 40 -8.495 2.650 -3.539 267 2HZ LYS 40 2HZ LYS 40 -9.815 3.715 -3.572 268 3HZ LYS 40 3HZ LYS 40 -8.263 4.274 -3.981 269 H PHE 41 H PHE 41 -8.755 1.645 1.192 270 HA PHE 41 HA PHE 41 -11.151 0.532 2.455 271 1HB PHE 41 1HB PHE 41 -8.475 0.017 3.523 272 2HB PHE 41 2HB PHE 41 -9.621 0.683 4.698 273 HD1 PHE 41 HD1 PHE 41 -12.153 -0.287 4.177 274 HD2 PHE 41 HD2 PHE 41 -8.436 -2.325 3.507 275 HE1 PHE 41 HE1 PHE 41 -13.332 -2.460 4.281 276 HE2 PHE 41 HE2 PHE 41 -9.611 -4.505 3.618 277 HZ PHE 41 HZ PHE 41 -12.062 -4.574 4.002 278 H ASN 42 H ASN 42 -11.747 1.819 4.424 279 HA ASN 42 HA ASN 42 -10.764 4.635 4.281 280 1HB ASN 42 1HB ASN 42 -13.425 3.545 3.680 281 2HB ASN 42 2HB ASN 42 -13.456 4.859 4.858 282 1HD2 ASN 42 1HD2 ASN 42 -13.531 6.915 1.929 283 2HD2 ASN 42 2HD2 ASN 42 -14.489 6.232 3.155 284 H SER 43 H SER 43 -10.250 2.392 6.069 285 HA SER 43 HA SER 43 -10.649 3.687 8.608 286 1HB SER 43 1HB SER 43 -12.916 2.474 7.880 287 2HB SER 43 2HB SER 43 -12.066 1.054 8.479 288 HG SER 43 HG SER 43 -12.452 1.745 10.416 289 H TYR 44 H TYR 44 -8.424 3.291 8.748 290 HA TYR 44 HA TYR 44 -6.777 1.249 8.177 291 1HB TYR 44 1HB TYR 44 -6.628 3.292 9.960 292 2HB TYR 44 2HB TYR 44 -6.656 1.918 11.064 293 HD1 TYR 44 HD1 TYR 44 -5.235 -0.176 9.633 294 HD2 TYR 44 HD2 TYR 44 -4.419 4.037 9.806 295 HE1 TYR 44 HE1 TYR 44 -2.843 -0.618 9.147 296 HE2 TYR 44 HE2 TYR 44 -2.029 3.597 9.323 297 HH TYR 44 HH TYR 44 -0.722 0.361 9.306 298 H GLU 45 H GLU 45 -9.250 1.074 10.702 299 HA GLU 45 HA GLU 45 -8.526 -1.438 11.827 300 1HB GLU 45 1HB GLU 45 -11.286 -0.218 11.524 301 2HB GLU 45 2HB GLU 45 -10.861 -1.533 12.621 302 1HG GLU 45 1HG GLU 45 -9.116 0.829 12.845 303 2HG GLU 45 2HG GLU 45 -10.797 1.132 13.287 304 H GLN 46 H GLN 46 -10.659 -0.706 9.044 305 HA GLN 46 HA GLN 46 -11.360 -3.448 8.625 306 1HB GLN 46 1HB GLN 46 -11.400 -1.096 6.724 307 2HB GLN 46 2HB GLN 46 -12.151 -2.661 6.410 308 1HG GLN 46 1HG GLN 46 -13.075 -1.884 8.952 309 2HG GLN 46 2HG GLN 46 -13.173 -0.436 7.950 310 1HE2 GLN 46 1HE2 GLN 46 -15.652 -1.805 5.759 311 2HE2 GLN 46 2HE2 GLN 46 -14.425 -0.638 5.877 312 H ALA 47 H ALA 47 -9.200 -1.222 6.988 313 HA ALA 47 HA ALA 47 -7.951 -3.003 5.249 314 1HB ALA 47 1HB ALA 47 -6.784 -0.660 6.775 315 2HB ALA 47 2HB ALA 47 -5.982 -1.453 5.414 316 3HB ALA 47 3HB ALA 47 -7.513 -0.608 5.167 317 H LYS 48 H LYS 48 -7.035 -2.188 8.586 318 HA LYS 48 HA LYS 48 -4.846 -3.976 8.853 319 1HB LYS 48 1HB LYS 48 -6.266 -2.291 10.588 320 2HB LYS 48 2HB LYS 48 -6.434 -3.897 11.284 321 1HG LYS 48 1HG LYS 48 -4.288 -3.897 11.959 322 2HG LYS 48 2HG LYS 48 -3.729 -3.479 10.339 323 1HD LYS 48 1HD LYS 48 -3.460 -1.300 10.885 324 2HD LYS 48 2HD LYS 48 -5.025 -1.234 11.699 325 1HE LYS 48 1HE LYS 48 -3.350 -0.847 13.380 326 2HE LYS 48 2HE LYS 48 -3.959 -2.484 13.629 327 1HZ LYS 48 1HZ LYS 48 -2.035 -3.135 12.071 328 2HZ LYS 48 2HZ LYS 48 -1.390 -1.616 12.477 329 3HZ LYS 48 3HZ LYS 48 -1.686 -2.769 13.690 330 H SER 49 H SER 49 -8.158 -4.560 10.074 331 HA SER 49 HA SER 49 -8.008 -7.222 10.723 332 1HB SER 49 1HB SER 49 -10.072 -5.762 10.800 333 2HB SER 49 2HB SER 49 -10.280 -6.071 9.080 334 HG SER 49 HG SER 49 -11.461 -7.541 10.396 335 H PHE 50 H PHE 50 -8.201 -5.870 7.457 336 HA PHE 50 HA PHE 50 -8.322 -8.483 6.173 337 1HB PHE 50 1HB PHE 50 -8.882 -5.934 5.340 338 2HB PHE 50 2HB PHE 50 -7.306 -6.206 4.596 339 HD1 PHE 50 HD1 PHE 50 -6.956 -8.217 3.118 340 HD2 PHE 50 HD2 PHE 50 -10.834 -7.068 4.560 341 HE1 PHE 50 HE1 PHE 50 -8.020 -9.633 1.383 342 HE2 PHE 50 HE2 PHE 50 -11.900 -8.483 2.826 343 HZ PHE 50 HZ PHE 50 -10.493 -9.765 1.236 344 H LEU 51 H LEU 51 -5.795 -6.152 7.017 345 HA LEU 51 HA LEU 51 -3.674 -7.126 5.535 346 1HB LEU 51 1HB LEU 51 -3.727 -6.087 8.374 347 2HB LEU 51 2HB LEU 51 -2.265 -6.319 7.443 348 HG LEU 51 HG LEU 51 -4.391 -4.250 7.130 349 1HD1 LEU 51 1HD1 LEU 51 -1.477 -4.447 7.438 350 2HD1 LEU 51 2HD1 LEU 51 -1.981 -3.266 6.228 351 3HD1 LEU 51 3HD1 LEU 51 -2.567 -3.137 7.887 352 1HD2 LEU 51 1HD2 LEU 51 -2.943 -5.591 4.868 353 2HD2 LEU 51 2HD2 LEU 51 -4.606 -4.999 4.939 354 3HD2 LEU 51 3HD2 LEU 51 -3.266 -3.861 4.788 355 H GLY 52 H GLY 52 -4.573 -8.173 8.847 356 1HA GLY 52 1HA GLY 52 -4.545 -10.856 8.682 357 2HA GLY 52 2HA GLY 52 -2.819 -10.518 8.575 Start of MODEL 5 1 H GLY 6 H GLY 6 -8.784 12.571 1.676 2 1HA GLY 6 1HA GLY 6 -8.049 10.785 -0.505 3 2HA GLY 6 2HA GLY 6 -7.185 10.978 1.021 4 H ASN 7 H ASN 7 -7.020 8.626 1.232 5 HA ASN 7 HA ASN 7 -9.313 7.522 2.619 6 1HB ASN 7 1HB ASN 7 -8.802 6.848 -0.181 7 2HB ASN 7 2HB ASN 7 -8.943 5.455 0.875 8 1HD2 ASN 7 1HD2 ASN 7 -12.424 5.851 1.371 9 2HD2 ASN 7 2HD2 ASN 7 -11.028 4.965 1.754 10 H PHE 8 H PHE 8 -8.784 4.928 2.726 11 HA PHE 8 HA PHE 8 -5.958 4.802 3.704 12 1HB PHE 8 1HB PHE 8 -8.422 3.227 4.527 13 2HB PHE 8 2HB PHE 8 -6.790 2.861 5.086 14 HD1 PHE 8 HD1 PHE 8 -9.193 5.733 4.836 15 HD2 PHE 8 HD2 PHE 8 -5.998 3.882 7.032 16 HE1 PHE 8 HE1 PHE 8 -9.411 7.456 6.607 17 HE2 PHE 8 HE2 PHE 8 -6.216 5.605 8.802 18 HZ PHE 8 HZ PHE 8 -7.922 7.392 8.590 19 H TYR 9 H TYR 9 -4.700 2.934 3.001 20 HA TYR 9 HA TYR 9 -6.112 1.185 1.049 21 1HB TYR 9 1HB TYR 9 -4.536 3.333 0.229 22 2HB TYR 9 2HB TYR 9 -3.530 1.899 -0.005 23 HD1 TYR 9 HD1 TYR 9 -4.977 -0.220 -0.820 24 HD2 TYR 9 HD2 TYR 9 -5.872 3.904 -1.608 25 HE1 TYR 9 HE1 TYR 9 -6.322 -0.883 -2.776 26 HE2 TYR 9 HE2 TYR 9 -7.218 3.236 -3.584 27 HH TYR 9 HH TYR 9 -8.187 1.479 -4.639 28 H ALA 10 H ALA 10 -5.718 -0.849 1.749 29 HA ALA 10 HA ALA 10 -3.206 -1.524 3.128 30 1HB ALA 10 1HB ALA 10 -5.793 -2.670 2.956 31 2HB ALA 10 2HB ALA 10 -4.711 -3.818 2.168 32 3HB ALA 10 3HB ALA 10 -4.410 -3.323 3.834 33 H VAL 11 H VAL 11 -1.554 -1.213 1.623 34 HA VAL 11 HA VAL 11 -1.811 -2.722 -0.950 35 HB VAL 11 HB VAL 11 -0.200 -0.228 -0.424 36 1HG1 VAL 11 1HG1 VAL 11 0.450 -1.717 -2.312 37 2HG1 VAL 11 2HG1 VAL 11 -1.176 -1.500 -2.979 38 3HG1 VAL 11 3HG1 VAL 11 -0.093 -0.116 -2.829 39 1HG2 VAL 11 1HG2 VAL 11 -2.982 -0.477 -0.470 40 2HG2 VAL 11 2HG2 VAL 11 -2.059 1.008 -0.690 41 3HG2 VAL 11 3HG2 VAL 11 -2.559 0.067 -2.096 42 H ARG 12 H ARG 12 0.139 -3.582 -1.885 43 HA ARG 12 HA ARG 12 2.633 -3.452 -0.431 44 1HB ARG 12 1HB ARG 12 1.548 -5.077 1.022 45 2HB ARG 12 2HB ARG 12 1.062 -6.046 -0.368 46 1HG ARG 12 1HG ARG 12 2.979 -7.196 0.103 47 2HG ARG 12 2HG ARG 12 3.743 -5.888 -0.799 48 1HD ARG 12 1HD ARG 12 3.806 -4.653 1.494 49 2HD ARG 12 2HD ARG 12 3.554 -6.258 2.183 50 HE ARG 12 HE ARG 12 5.848 -6.580 1.796 51 1HH1 ARG 12 1HH1 ARG 12 5.264 -3.694 0.313 52 2HH1 ARG 12 2HH1 ARG 12 6.356 -3.919 -1.012 53 1HH2 ARG 12 1HH2 ARG 12 6.918 -7.271 -0.327 54 2HH2 ARG 12 2HH2 ARG 12 7.293 -5.943 -1.374 55 H LYS 13 H LYS 13 1.177 -6.066 -2.376 56 HA LYS 13 HA LYS 13 2.175 -5.325 -4.907 57 1HB LYS 13 1HB LYS 13 4.408 -5.499 -3.639 58 2HB LYS 13 2HB LYS 13 4.107 -7.233 -3.571 59 1HG LYS 13 1HG LYS 13 5.338 -7.071 -5.538 60 2HG LYS 13 2HG LYS 13 3.689 -6.961 -6.158 61 1HD LYS 13 1HD LYS 13 3.972 -4.397 -5.821 62 2HD LYS 13 2HD LYS 13 5.699 -4.753 -5.759 63 1HE LYS 13 1HE LYS 13 4.660 -6.198 -7.962 64 2HE LYS 13 2HE LYS 13 3.985 -4.571 -8.063 65 1HZ LYS 13 1HZ LYS 13 6.455 -3.943 -7.476 66 2HZ LYS 13 2HZ LYS 13 6.772 -5.442 -8.202 67 3HZ LYS 13 3HZ LYS 13 5.970 -4.229 -9.078 68 H GLY 14 H GLY 14 1.637 -7.944 -2.610 69 1HA GLY 14 1HA GLY 14 0.054 -9.361 -4.649 70 2HA GLY 14 2HA GLY 14 1.458 -10.237 -4.040 71 H ARG 15 H ARG 15 1.264 -9.209 -1.307 72 HA ARG 15 HA ARG 15 -1.177 -10.722 -0.482 73 1HB ARG 15 1HB ARG 15 1.604 -10.628 0.538 74 2HB ARG 15 2HB ARG 15 0.339 -10.678 1.767 75 1HG ARG 15 1HG ARG 15 -0.494 -12.735 1.015 76 2HG ARG 15 2HG ARG 15 0.234 -12.554 -0.582 77 1HD ARG 15 1HD ARG 15 2.494 -12.567 0.775 78 2HD ARG 15 2HD ARG 15 1.518 -13.377 2.001 79 HE ARG 15 HE ARG 15 0.950 -14.765 -0.331 80 1HH1 ARG 15 1HH1 ARG 15 3.764 -13.861 1.454 81 2HH1 ARG 15 2HH1 ARG 15 4.688 -15.231 0.938 82 1HH2 ARG 15 1HH2 ARG 15 2.153 -16.544 -1.027 83 2HH2 ARG 15 2HH2 ARG 15 3.778 -16.748 -0.463 84 H GLU 16 H GLU 16 0.030 -7.595 -0.646 85 HA GLU 16 HA GLU 16 -0.764 -5.594 0.293 86 1HB GLU 16 1HB GLU 16 -3.014 -5.901 0.117 87 2HB GLU 16 2HB GLU 16 -2.917 -7.566 0.673 88 1HG GLU 16 1HG GLU 16 -2.631 -6.642 3.032 89 2HG GLU 16 2HG GLU 16 -3.045 -5.059 2.370 90 H THR 17 H THR 17 0.109 -4.541 2.043 91 HA THR 17 HA THR 17 -0.046 -5.586 4.730 92 HB THR 17 HB THR 17 2.804 -5.506 3.911 93 HG1 THR 17 HG1 THR 17 1.479 -7.909 3.491 94 1HG2 THR 17 1HG2 THR 17 1.115 -7.310 5.666 95 2HG2 THR 17 2HG2 THR 17 2.864 -7.440 5.480 96 3HG2 THR 17 3HG2 THR 17 2.160 -5.999 6.213 97 H GLY 18 H GLY 18 0.329 -2.977 2.691 98 1HA GLY 18 1HA GLY 18 1.480 -1.391 4.951 99 2HA GLY 18 2HA GLY 18 1.946 -1.059 3.278 100 H ILE 19 H ILE 19 -0.334 -0.352 5.708 101 HA ILE 19 HA ILE 19 -2.380 0.439 3.808 102 HB ILE 19 HB ILE 19 -2.531 1.067 6.712 103 1HG1 ILE 19 1HG1 ILE 19 -2.690 -1.621 5.357 104 2HG1 ILE 19 2HG1 ILE 19 -1.835 -1.187 6.836 105 1HG2 ILE 19 1HG2 ILE 19 -4.220 1.390 4.538 106 2HG2 ILE 19 2HG2 ILE 19 -4.808 -0.101 5.275 107 3HG2 ILE 19 3HG2 ILE 19 -4.726 1.381 6.229 108 1HD1 ILE 19 1HD1 ILE 19 -4.599 -0.578 7.212 109 2HD1 ILE 19 2HD1 ILE 19 -4.474 -2.205 6.554 110 3HD1 ILE 19 3HD1 ILE 19 -3.631 -1.791 8.039 111 H TYR 20 H TYR 20 -2.688 2.435 3.040 112 HA TYR 20 HA TYR 20 -1.091 4.658 4.238 113 1HB TYR 20 1HB TYR 20 -2.717 4.713 1.706 114 2HB TYR 20 2HB TYR 20 -1.525 5.891 2.216 115 HD1 TYR 20 HD1 TYR 20 0.914 5.088 2.525 116 HD2 TYR 20 HD2 TYR 20 -2.052 2.882 0.344 117 HE1 TYR 20 HE1 TYR 20 2.706 3.815 1.373 118 HE2 TYR 20 HE2 TYR 20 -0.263 1.611 -0.811 119 HH TYR 20 HH TYR 20 2.909 1.551 0.231 120 H ASN 21 H ASN 21 -2.504 6.809 3.907 121 HA ASN 21 HA ASN 21 -5.351 6.437 4.402 122 1HB ASN 21 1HB ASN 21 -4.581 5.931 6.568 123 2HB ASN 21 2HB ASN 21 -3.321 7.158 6.473 124 1HD2 ASN 21 1HD2 ASN 21 -5.776 8.889 8.529 125 2HD2 ASN 21 2HD2 ASN 21 -4.484 7.794 8.657 126 H THR 22 H THR 22 -4.538 7.715 2.325 127 HA THR 22 HA THR 22 -4.963 10.532 2.881 128 HB THR 22 HB THR 22 -2.499 9.919 1.304 129 HG1 THR 22 HG1 THR 22 -1.403 10.211 3.411 130 1HG2 THR 22 1HG2 THR 22 -3.746 12.194 2.724 131 2HG2 THR 22 2HG2 THR 22 -1.989 12.095 2.819 132 3HG2 THR 22 3HG2 THR 22 -2.782 12.174 1.244 133 H TRP 23 H TRP 23 -4.990 11.766 0.753 134 HA TRP 23 HA TRP 23 -6.398 10.161 -1.245 135 1HB TRP 23 1HB TRP 23 -7.141 12.461 -0.857 136 2HB TRP 23 2HB TRP 23 -5.528 13.065 -1.236 137 HD1 TRP 23 HD1 TRP 23 -5.846 14.271 -3.487 138 HE1 TRP 23 HE1 TRP 23 -6.740 13.576 -5.805 139 HE3 TRP 23 HE3 TRP 23 -7.722 9.673 -2.350 140 HZ2 TRP 23 HZ2 TRP 23 -8.076 11.349 -7.016 141 HZ3 TRP 23 HZ3 TRP 23 -8.799 8.279 -4.098 142 HH2 TRP 23 HH2 TRP 23 -8.980 9.112 -6.426 143 H ASN 24 H ASN 24 -3.427 12.037 -1.009 144 HA ASN 24 HA ASN 24 -2.354 11.359 -3.541 145 1HB ASN 24 1HB ASN 24 -0.964 12.135 -0.968 146 2HB ASN 24 2HB ASN 24 -0.187 12.087 -2.551 147 1HD2 ASN 24 1HD2 ASN 24 -1.545 15.178 -3.597 148 2HD2 ASN 24 2HD2 ASN 24 -0.583 13.838 -4.001 149 H GLU 25 H GLU 25 -1.408 10.123 -0.314 150 HA GLU 25 HA GLU 25 0.271 8.052 -1.046 151 1HB GLU 25 1HB GLU 25 -1.919 8.016 1.046 152 2HB GLU 25 2HB GLU 25 -0.602 6.844 0.960 153 1HG GLU 25 1HG GLU 25 0.850 9.100 0.920 154 2HG GLU 25 2HG GLU 25 -0.560 9.701 1.797 155 H CYS 26 H CYS 26 -3.250 8.154 -1.179 156 HA CYS 26 HA CYS 26 -3.632 5.421 -1.938 157 1HB CYS 26 1HB CYS 26 -5.500 6.662 -1.087 158 2HB CYS 26 2HB CYS 26 -5.311 7.896 -2.334 159 HG CYS 26 HG CYS 26 -7.159 6.308 -3.215 160 H LYS 27 H LYS 27 -4.609 7.945 -4.092 161 HA LYS 27 HA LYS 27 -4.240 6.654 -6.490 162 1HB LYS 27 1HB LYS 27 -4.329 9.389 -5.471 163 2HB LYS 27 2HB LYS 27 -3.562 9.248 -7.059 164 1HG LYS 27 1HG LYS 27 -6.043 7.675 -6.749 165 2HG LYS 27 2HG LYS 27 -6.274 9.421 -6.657 166 1HD LYS 27 1HD LYS 27 -4.943 9.632 -8.788 167 2HD LYS 27 2HD LYS 27 -4.967 7.872 -8.908 168 1HE LYS 27 1HE LYS 27 -7.529 9.413 -8.555 169 2HE LYS 27 2HE LYS 27 -6.814 9.216 -10.156 170 1HZ LYS 27 1HZ LYS 27 -6.675 6.735 -9.380 171 2HZ LYS 27 2HZ LYS 27 -7.958 7.198 -8.367 172 3HZ LYS 27 3HZ LYS 27 -8.107 7.361 -10.048 173 H ASN 28 H ASN 28 -1.770 8.584 -4.735 174 HA ASN 28 HA ASN 28 0.291 8.383 -6.663 175 1HB ASN 28 1HB ASN 28 0.455 8.462 -3.640 176 2HB ASN 28 2HB ASN 28 1.852 8.620 -4.699 177 1HD2 ASN 28 1HD2 ASN 28 -0.526 11.632 -5.826 178 2HD2 ASN 28 2HD2 ASN 28 -0.769 10.023 -6.304 179 H GLN 29 H GLN 29 -0.249 6.261 -3.816 180 HA GLN 29 HA GLN 29 1.742 4.357 -4.552 181 1HB GLN 29 1HB GLN 29 -0.807 3.960 -2.953 182 2HB GLN 29 2HB GLN 29 0.542 2.824 -3.012 183 1HG GLN 29 1HG GLN 29 0.929 5.709 -2.195 184 2HG GLN 29 2HG GLN 29 0.490 4.464 -1.024 185 1HE2 GLN 29 1HE2 GLN 29 4.242 4.683 -1.213 186 2HE2 GLN 29 2HE2 GLN 29 3.016 5.801 -0.858 187 H VAL 30 H VAL 30 -1.480 4.935 -5.705 188 HA VAL 30 HA VAL 30 -1.097 2.940 -7.815 189 HB VAL 30 HB VAL 30 -3.278 1.798 -7.302 190 1HG1 VAL 30 1HG1 VAL 30 -1.085 0.812 -6.648 191 2HG1 VAL 30 2HG1 VAL 30 -1.197 1.648 -5.097 192 3HG1 VAL 30 3HG1 VAL 30 -2.365 0.390 -5.508 193 1HG2 VAL 30 1HG2 VAL 30 -3.137 3.749 -5.069 194 2HG2 VAL 30 2HG2 VAL 30 -4.547 3.056 -5.870 195 3HG2 VAL 30 3HG2 VAL 30 -3.682 2.126 -4.646 196 H ASP 31 H ASP 31 -1.313 4.685 -9.273 197 HA ASP 31 HA ASP 31 -4.027 5.923 -9.353 198 1HB ASP 31 1HB ASP 31 -2.554 7.700 -8.799 199 2HB ASP 31 2HB ASP 31 -1.317 7.116 -9.912 200 H GLY 32 H GLY 32 -1.249 4.902 -11.248 201 1HA GLY 32 1HA GLY 32 -3.087 4.498 -13.576 202 2HA GLY 32 2HA GLY 32 -1.396 4.962 -13.766 203 H TYR 33 H TYR 33 -0.572 3.190 -11.557 204 HA TYR 33 HA TYR 33 0.688 1.094 -12.169 205 1HB TYR 33 1HB TYR 33 -0.692 -0.493 -10.706 206 2HB TYR 33 2HB TYR 33 -0.163 1.016 -9.960 207 HD1 TYR 33 HD1 TYR 33 -1.784 3.021 -10.036 208 HD2 TYR 33 HD2 TYR 33 -2.992 -1.025 -10.815 209 HE1 TYR 33 HE1 TYR 33 -4.150 3.643 -9.610 210 HE2 TYR 33 HE2 TYR 33 -5.353 -0.403 -10.392 211 HH TYR 33 HH TYR 33 -6.595 2.318 -10.564 212 H GLY 34 H GLY 34 0.797 -0.175 -13.951 213 1HA GLY 34 1HA GLY 34 -1.458 -0.738 -15.641 214 2HA GLY 34 2HA GLY 34 0.117 -1.526 -15.747 215 H GLY 35 H GLY 35 -0.195 -2.269 -12.795 216 1HA GLY 35 1HA GLY 35 -2.468 -4.027 -12.591 217 2HA GLY 35 2HA GLY 35 -1.038 -4.930 -13.092 218 H ALA 36 H ALA 36 -1.610 -2.275 -10.750 219 HA ALA 36 HA ALA 36 0.339 -3.370 -8.890 220 1HB ALA 36 1HB ALA 36 -1.353 -0.988 -9.069 221 2HB ALA 36 2HB ALA 36 -1.255 -1.630 -7.428 222 3HB ALA 36 3HB ALA 36 0.220 -1.187 -8.299 223 H ILE 37 H ILE 37 -0.233 -3.938 -6.636 224 HA ILE 37 HA ILE 37 -2.845 -5.379 -6.532 225 HB ILE 37 HB ILE 37 -0.372 -6.486 -6.060 226 1HG1 ILE 37 1HG1 ILE 37 -2.463 -7.713 -6.338 227 2HG1 ILE 37 2HG1 ILE 37 -1.679 -8.249 -4.849 228 1HG2 ILE 37 1HG2 ILE 37 -1.485 -5.533 -3.392 229 2HG2 ILE 37 2HG2 ILE 37 -0.317 -6.841 -3.549 230 3HG2 ILE 37 3HG2 ILE 37 0.119 -5.210 -4.056 231 1HD1 ILE 37 1HD1 ILE 37 -3.123 -6.206 -3.848 232 2HD1 ILE 37 2HD1 ILE 37 -4.161 -6.638 -5.208 233 3HD1 ILE 37 3HD1 ILE 37 -3.772 -7.843 -3.979 234 H TYR 38 H TYR 38 -4.236 -4.790 -4.879 235 HA TYR 38 HA TYR 38 -3.253 -3.467 -2.543 236 1HB TYR 38 1HB TYR 38 -4.250 -1.263 -2.973 237 2HB TYR 38 2HB TYR 38 -2.907 -1.617 -4.038 238 HD1 TYR 38 HD1 TYR 38 -6.653 -2.111 -3.959 239 HD2 TYR 38 HD2 TYR 38 -3.175 -1.154 -6.292 240 HE1 TYR 38 HE1 TYR 38 -8.092 -1.699 -5.921 241 HE2 TYR 38 HE2 TYR 38 -4.619 -0.757 -8.266 242 HH TYR 38 HH TYR 38 -6.995 -1.597 -9.012 243 H LYS 39 H LYS 39 -4.861 -3.030 -1.015 244 HA LYS 39 HA LYS 39 -7.595 -4.034 -1.670 245 1HB LYS 39 1HB LYS 39 -6.085 -4.314 0.954 246 2HB LYS 39 2HB LYS 39 -7.707 -4.917 0.631 247 1HG LYS 39 1HG LYS 39 -5.107 -5.847 -0.608 248 2HG LYS 39 2HG LYS 39 -6.225 -6.785 0.377 249 1HD LYS 39 1HD LYS 39 -7.775 -5.816 -1.757 250 2HD LYS 39 2HD LYS 39 -6.254 -6.336 -2.486 251 1HE LYS 39 1HE LYS 39 -7.240 -8.394 -2.447 252 2HE LYS 39 2HE LYS 39 -6.716 -8.393 -0.762 253 1HZ LYS 39 1HZ LYS 39 -9.207 -7.025 -1.195 254 2HZ LYS 39 2HZ LYS 39 -9.271 -8.669 -1.604 255 3HZ LYS 39 3HZ LYS 39 -8.801 -8.202 -0.039 256 H LYS 40 H LYS 40 -8.293 -1.889 -2.055 257 HA LYS 40 HA LYS 40 -7.787 0.409 -0.595 258 1HB LYS 40 1HB LYS 40 -9.603 -0.329 -2.571 259 2HB LYS 40 2HB LYS 40 -10.627 0.200 -1.233 260 1HG LYS 40 1HG LYS 40 -8.432 2.009 -1.412 261 2HG LYS 40 2HG LYS 40 -9.107 1.815 -3.037 262 1HD LYS 40 1HD LYS 40 -11.398 2.008 -1.603 263 2HD LYS 40 2HD LYS 40 -10.336 2.993 -0.597 264 1HE LYS 40 1HE LYS 40 -9.772 3.759 -3.247 265 2HE LYS 40 2HE LYS 40 -11.529 3.634 -3.159 266 1HZ LYS 40 1HZ LYS 40 -9.834 5.133 -1.236 267 2HZ LYS 40 2HZ LYS 40 -10.707 5.834 -2.509 268 3HZ LYS 40 3HZ LYS 40 -11.531 5.062 -1.240 269 H PHE 41 H PHE 41 -8.806 1.457 1.163 270 HA PHE 41 HA PHE 41 -10.748 0.001 2.811 271 1HB PHE 41 1HB PHE 41 -7.889 -0.074 3.361 272 2HB PHE 41 2HB PHE 41 -8.847 0.552 4.710 273 HD1 PHE 41 HD1 PHE 41 -11.014 -0.769 5.308 274 HD2 PHE 41 HD2 PHE 41 -7.768 -2.406 3.022 275 HE1 PHE 41 HE1 PHE 41 -11.797 -3.057 5.838 276 HE2 PHE 41 HE2 PHE 41 -8.552 -4.699 3.553 277 HZ PHE 41 HZ PHE 41 -10.567 -5.026 4.962 278 H ASN 42 H ASN 42 -11.468 1.307 4.618 279 HA ASN 42 HA ASN 42 -10.753 4.196 4.401 280 1HB ASN 42 1HB ASN 42 -12.879 3.811 3.265 281 2HB ASN 42 2HB ASN 42 -13.485 2.928 4.664 282 1HD2 ASN 42 1HD2 ASN 42 -12.862 6.955 5.275 283 2HD2 ASN 42 2HD2 ASN 42 -11.704 6.058 4.416 284 H SER 43 H SER 43 -10.049 1.882 6.189 285 HA SER 43 HA SER 43 -10.392 3.273 8.728 286 1HB SER 43 1HB SER 43 -12.472 2.121 8.830 287 2HB SER 43 2HB SER 43 -11.788 0.661 8.121 288 HG SER 43 HG SER 43 -12.028 0.483 10.390 289 H TYR 44 H TYR 44 -8.099 3.253 8.589 290 HA TYR 44 HA TYR 44 -6.280 1.304 8.017 291 1HB TYR 44 1HB TYR 44 -5.713 3.538 8.950 292 2HB TYR 44 2HB TYR 44 -6.213 2.980 10.545 293 HD1 TYR 44 HD1 TYR 44 -3.751 2.469 7.809 294 HD2 TYR 44 HD2 TYR 44 -4.803 1.578 11.879 295 HE1 TYR 44 HE1 TYR 44 -1.493 1.511 8.184 296 HE2 TYR 44 HE2 TYR 44 -2.546 0.620 12.252 297 HH TYR 44 HH TYR 44 -0.191 0.984 11.139 298 H GLU 45 H GLU 45 -8.509 1.234 10.718 299 HA GLU 45 HA GLU 45 -7.196 -0.903 12.155 300 1HB GLU 45 1HB GLU 45 -9.971 0.278 12.233 301 2HB GLU 45 2HB GLU 45 -9.546 -1.136 13.199 302 1HG GLU 45 1HG GLU 45 -8.471 0.142 14.707 303 2HG GLU 45 2HG GLU 45 -7.496 0.891 13.441 304 H GLN 46 H GLN 46 -9.649 -0.792 9.600 305 HA GLN 46 HA GLN 46 -10.185 -3.620 9.768 306 1HB GLN 46 1HB GLN 46 -10.862 -1.588 7.638 307 2HB GLN 46 2HB GLN 46 -11.463 -3.249 7.670 308 1HG GLN 46 1HG GLN 46 -11.817 -1.778 10.196 309 2HG GLN 46 2HG GLN 46 -12.743 -1.127 8.842 310 1HE2 GLN 46 1HE2 GLN 46 -15.176 -3.594 9.535 311 2HE2 GLN 46 2HE2 GLN 46 -14.827 -1.937 9.410 312 H ALA 47 H ALA 47 -8.688 -1.529 7.360 313 HA ALA 47 HA ALA 47 -7.577 -3.425 5.672 314 1HB ALA 47 1HB ALA 47 -6.373 -0.833 6.692 315 2HB ALA 47 2HB ALA 47 -5.727 -1.743 5.321 316 3HB ALA 47 3HB ALA 47 -7.336 -1.038 5.234 317 H LYS 48 H LYS 48 -6.101 -2.011 8.554 318 HA LYS 48 HA LYS 48 -3.784 -3.645 8.667 319 1HB LYS 48 1HB LYS 48 -4.394 -1.549 10.068 320 2HB LYS 48 2HB LYS 48 -5.182 -2.691 11.158 321 1HG LYS 48 1HG LYS 48 -3.047 -2.636 12.067 322 2HG LYS 48 2HG LYS 48 -2.872 -3.979 10.935 323 1HD LYS 48 1HD LYS 48 -2.336 -1.772 9.357 324 2HD LYS 48 2HD LYS 48 -1.613 -1.328 10.901 325 1HE LYS 48 1HE LYS 48 -0.359 -3.437 10.945 326 2HE LYS 48 2HE LYS 48 -1.111 -3.931 9.428 327 1HZ LYS 48 1HZ LYS 48 0.118 -1.325 9.350 328 2HZ LYS 48 2HZ LYS 48 1.214 -2.594 9.625 329 3HZ LYS 48 3HZ LYS 48 0.223 -2.607 8.245 330 H SER 49 H SER 49 -6.861 -4.039 10.463 331 HA SER 49 HA SER 49 -6.394 -6.433 11.750 332 1HB SER 49 1HB SER 49 -8.541 -5.359 11.996 333 2HB SER 49 2HB SER 49 -8.884 -5.539 10.277 334 HG SER 49 HG SER 49 -9.605 -7.459 10.698 335 H PHE 50 H PHE 50 -6.880 -5.882 8.329 336 HA PHE 50 HA PHE 50 -7.092 -8.703 7.632 337 1HB PHE 50 1HB PHE 50 -7.274 -6.140 6.291 338 2HB PHE 50 2HB PHE 50 -6.245 -7.244 5.379 339 HD1 PHE 50 HD1 PHE 50 -7.125 -9.401 4.556 340 HD2 PHE 50 HD2 PHE 50 -9.635 -6.584 6.610 341 HE1 PHE 50 HE1 PHE 50 -9.138 -10.606 3.753 342 HE2 PHE 50 HE2 PHE 50 -11.647 -7.791 5.808 343 HZ PHE 50 HZ PHE 50 -11.398 -9.802 4.378 344 H LEU 51 H LEU 51 -4.571 -6.196 7.296 345 HA LEU 51 HA LEU 51 -2.554 -7.614 6.126 346 1HB LEU 51 1HB LEU 51 -2.058 -5.887 8.543 347 2HB LEU 51 2HB LEU 51 -1.019 -6.129 7.160 348 HG LEU 51 HG LEU 51 -3.646 -4.641 7.197 349 1HD1 LEU 51 1HD1 LEU 51 -0.824 -3.921 7.437 350 2HD1 LEU 51 2HD1 LEU 51 -1.629 -3.060 6.125 351 3HD1 LEU 51 3HD1 LEU 51 -2.255 -2.951 7.770 352 1HD2 LEU 51 1HD2 LEU 51 -2.617 -6.080 5.066 353 2HD2 LEU 51 2HD2 LEU 51 -3.733 -4.715 4.950 354 3HD2 LEU 51 3HD2 LEU 51 -1.993 -4.449 4.795 355 H GLY 52 H GLY 52 -2.620 -7.236 9.662 356 1HA GLY 52 1HA GLY 52 -2.748 -9.630 10.794 357 2HA GLY 52 2HA GLY 52 -1.207 -9.816 9.951 Start of MODEL 6 1 H GLY 6 H GLY 6 -8.162 12.600 0.601 2 1HA GLY 6 1HA GLY 6 -7.028 10.665 -0.141 3 2HA GLY 6 2HA GLY 6 -6.230 10.751 1.432 4 H ASN 7 H ASN 7 -6.334 8.303 1.306 5 HA ASN 7 HA ASN 7 -8.719 7.424 2.720 6 1HB ASN 7 1HB ASN 7 -8.248 6.738 -0.107 7 2HB ASN 7 2HB ASN 7 -8.705 5.412 0.941 8 1HD2 ASN 7 1HD2 ASN 7 -11.870 7.106 1.826 9 2HD2 ASN 7 2HD2 ASN 7 -10.563 6.401 2.647 10 H PHE 8 H PHE 8 -8.513 4.835 2.818 11 HA PHE 8 HA PHE 8 -5.751 4.365 3.825 12 1HB PHE 8 1HB PHE 8 -8.423 3.081 4.407 13 2HB PHE 8 2HB PHE 8 -6.912 2.302 4.872 14 HD1 PHE 8 HD1 PHE 8 -5.300 3.537 6.388 15 HD2 PHE 8 HD2 PHE 8 -9.303 4.906 5.646 16 HE1 PHE 8 HE1 PHE 8 -5.178 4.986 8.399 17 HE2 PHE 8 HE2 PHE 8 -9.183 6.352 7.656 18 HZ PHE 8 HZ PHE 8 -7.120 6.392 9.032 19 H TYR 9 H TYR 9 -4.520 2.575 2.973 20 HA TYR 9 HA TYR 9 -5.967 1.023 0.883 21 1HB TYR 9 1HB TYR 9 -4.182 3.076 0.242 22 2HB TYR 9 2HB TYR 9 -3.321 1.563 -0.086 23 HD1 TYR 9 HD1 TYR 9 -4.830 -0.339 -1.137 24 HD2 TYR 9 HD2 TYR 9 -5.611 3.877 -1.429 25 HE1 TYR 9 HE1 TYR 9 -6.288 -0.739 -3.113 26 HE2 TYR 9 HE2 TYR 9 -7.056 3.479 -3.405 27 HH TYR 9 HH TYR 9 -7.766 0.186 -4.523 28 H ALA 10 H ALA 10 -5.816 -1.009 1.530 29 HA ALA 10 HA ALA 10 -3.420 -2.034 2.888 30 1HB ALA 10 1HB ALA 10 -5.853 -2.853 3.254 31 2HB ALA 10 2HB ALA 10 -5.660 -3.699 1.716 32 3HB ALA 10 3HB ALA 10 -4.612 -4.097 3.078 33 H VAL 11 H VAL 11 -1.858 -1.577 1.326 34 HA VAL 11 HA VAL 11 -2.138 -2.902 -1.307 35 HB VAL 11 HB VAL 11 -0.052 -0.945 -0.363 36 1HG1 VAL 11 1HG1 VAL 11 0.444 -2.340 -2.365 37 2HG1 VAL 11 2HG1 VAL 11 -1.021 -1.693 -3.123 38 3HG1 VAL 11 3HG1 VAL 11 0.315 -0.611 -2.728 39 1HG2 VAL 11 1HG2 VAL 11 -2.874 -0.611 -1.149 40 2HG2 VAL 11 2HG2 VAL 11 -1.814 0.480 -0.257 41 3HG2 VAL 11 3HG2 VAL 11 -1.746 0.431 -2.020 42 H ARG 12 H ARG 12 -0.419 -4.082 -2.218 43 HA ARG 12 HA ARG 12 1.776 -4.897 -0.456 44 1HB ARG 12 1HB ARG 12 -0.176 -6.488 -0.085 45 2HB ARG 12 2HB ARG 12 0.034 -6.998 -1.761 46 1HG ARG 12 1HG ARG 12 2.503 -7.419 -1.125 47 2HG ARG 12 2HG ARG 12 1.952 -7.317 0.547 48 1HD ARG 12 1HD ARG 12 1.280 -9.459 0.420 49 2HD ARG 12 2HD ARG 12 0.110 -8.987 -0.810 50 HE ARG 12 HE ARG 12 1.521 -9.948 -2.432 51 1HH1 ARG 12 1HH1 ARG 12 3.126 -9.528 0.593 52 2HH1 ARG 12 2HH1 ARG 12 4.621 -10.205 0.043 53 1HH2 ARG 12 1HH2 ARG 12 3.502 -10.729 -3.196 54 2HH2 ARG 12 2HH2 ARG 12 4.834 -10.883 -2.100 55 H LYS 13 H LYS 13 0.867 -3.825 -3.405 56 HA LYS 13 HA LYS 13 2.710 -5.510 -4.978 57 1HB LYS 13 1HB LYS 13 0.488 -4.657 -5.888 58 2HB LYS 13 2HB LYS 13 1.214 -3.048 -5.908 59 1HG LYS 13 1HG LYS 13 1.951 -3.605 -7.979 60 2HG LYS 13 2HG LYS 13 3.153 -4.578 -7.131 61 1HD LYS 13 1HD LYS 13 1.117 -6.327 -7.088 62 2HD LYS 13 2HD LYS 13 0.678 -5.440 -8.547 63 1HE LYS 13 1HE LYS 13 3.437 -5.835 -8.778 64 2HE LYS 13 2HE LYS 13 2.825 -7.361 -8.142 65 1HZ LYS 13 1HZ LYS 13 1.013 -6.991 -9.958 66 2HZ LYS 13 2HZ LYS 13 2.208 -6.022 -10.677 67 3HZ LYS 13 3HZ LYS 13 2.517 -7.661 -10.370 68 H GLY 14 H GLY 14 4.461 -4.662 -3.404 69 1HA GLY 14 1HA GLY 14 6.169 -2.856 -4.774 70 2HA GLY 14 2HA GLY 14 5.348 -1.953 -3.499 71 H ARG 15 H ARG 15 5.577 -2.781 -1.269 72 HA ARG 15 HA ARG 15 8.140 -4.287 -0.931 73 1HB ARG 15 1HB ARG 15 6.898 -2.130 0.803 74 2HB ARG 15 2HB ARG 15 8.320 -3.069 1.261 75 1HG ARG 15 1HG ARG 15 9.635 -1.705 0.052 76 2HG ARG 15 2HG ARG 15 8.699 -2.065 -1.400 77 1HD ARG 15 1HD ARG 15 7.782 -0.014 -1.349 78 2HD ARG 15 2HD ARG 15 7.166 -0.311 0.277 79 HE ARG 15 HE ARG 15 9.311 1.431 -0.303 80 1HH1 ARG 15 1HH1 ARG 15 11.434 0.142 0.646 81 2HH1 ARG 15 2HH1 ARG 15 11.279 -0.017 2.363 82 1HH2 ARG 15 1HH2 ARG 15 7.869 0.619 2.379 83 2HH2 ARG 15 2HH2 ARG 15 9.259 0.255 3.345 84 H GLU 16 H GLU 16 5.969 -3.484 1.700 85 HA GLU 16 HA GLU 16 5.254 -6.385 1.888 86 1HB GLU 16 1HB GLU 16 6.576 -4.658 3.774 87 2HB GLU 16 2HB GLU 16 5.022 -5.160 4.442 88 1HG GLU 16 1HG GLU 16 6.331 -7.389 3.135 89 2HG GLU 16 2HG GLU 16 7.390 -6.679 4.354 90 H THR 17 H THR 17 3.159 -6.767 3.036 91 HA THR 17 HA THR 17 1.054 -5.164 1.941 92 HB THR 17 HB THR 17 0.980 -7.120 4.261 93 HG1 THR 17 HG1 THR 17 0.305 -8.555 2.616 94 1HG2 THR 17 1HG2 THR 17 -1.214 -5.993 2.501 95 2HG2 THR 17 2HG2 THR 17 -1.427 -7.312 3.652 96 3HG2 THR 17 3HG2 THR 17 -1.002 -5.700 4.227 97 H GLY 18 H GLY 18 0.602 -3.092 2.607 98 1HA GLY 18 1HA GLY 18 0.430 -2.610 5.532 99 2HA GLY 18 2HA GLY 18 1.507 -1.563 4.604 100 H ILE 19 H ILE 19 -1.009 -0.880 6.046 101 HA ILE 19 HA ILE 19 -2.720 -0.142 3.790 102 HB ILE 19 HB ILE 19 -3.254 -0.931 6.488 103 1HG1 ILE 19 1HG1 ILE 19 -5.586 -0.220 5.019 104 2HG1 ILE 19 2HG1 ILE 19 -4.421 -0.917 3.912 105 1HG2 ILE 19 1HG2 ILE 19 -4.435 1.734 5.669 106 2HG2 ILE 19 2HG2 ILE 19 -5.026 0.727 6.996 107 3HG2 ILE 19 3HG2 ILE 19 -3.409 1.441 7.079 108 1HD1 ILE 19 1HD1 ILE 19 -5.053 -2.177 6.568 109 2HD1 ILE 19 2HD1 ILE 19 -5.957 -2.578 5.104 110 3HD1 ILE 19 3HD1 ILE 19 -4.227 -2.904 5.192 111 H TYR 20 H TYR 20 -2.415 1.822 2.905 112 HA TYR 20 HA TYR 20 -0.936 3.896 4.368 113 1HB TYR 20 1HB TYR 20 -2.426 4.153 1.763 114 2HB TYR 20 2HB TYR 20 -1.172 5.224 2.355 115 HD1 TYR 20 HD1 TYR 20 1.088 3.926 3.066 116 HD2 TYR 20 HD2 TYR 20 -1.756 2.569 0.145 117 HE1 TYR 20 HE1 TYR 20 2.839 2.526 2.015 118 HE2 TYR 20 HE2 TYR 20 0.002 1.169 -0.908 119 HH TYR 20 HH TYR 20 2.093 0.170 -0.417 120 H ASN 21 H ASN 21 -2.114 6.201 3.918 121 HA ASN 21 HA ASN 21 -4.988 6.121 4.453 122 1HB ASN 21 1HB ASN 21 -4.173 5.644 6.620 123 2HB ASN 21 2HB ASN 21 -2.855 6.797 6.440 124 1HD2 ASN 21 1HD2 ASN 21 -6.628 8.396 6.963 125 2HD2 ASN 21 2HD2 ASN 21 -6.448 6.987 6.034 126 H THR 22 H THR 22 -4.072 7.261 2.284 127 HA THR 22 HA THR 22 -4.260 10.119 2.774 128 HB THR 22 HB THR 22 -1.863 9.328 1.197 129 HG1 THR 22 HG1 THR 22 -1.673 8.090 3.079 130 1HG2 THR 22 1HG2 THR 22 -2.913 11.646 2.680 131 2HG2 THR 22 2HG2 THR 22 -1.176 11.385 2.829 132 3HG2 THR 22 3HG2 THR 22 -1.903 11.590 1.232 133 H TRP 23 H TRP 23 -4.221 11.328 0.672 134 HA TRP 23 HA TRP 23 -5.708 9.859 -1.384 135 1HB TRP 23 1HB TRP 23 -6.395 12.122 -1.083 136 2HB TRP 23 2HB TRP 23 -4.732 12.700 -1.069 137 HD1 TRP 23 HD1 TRP 23 -4.492 14.136 -3.162 138 HE1 TRP 23 HE1 TRP 23 -4.982 13.812 -5.673 139 HE3 TRP 23 HE3 TRP 23 -6.847 9.616 -3.018 140 HZ2 TRP 23 HZ2 TRP 23 -6.212 11.884 -7.395 141 HZ3 TRP 23 HZ3 TRP 23 -7.671 8.556 -5.103 142 HH2 TRP 23 HH2 TRP 23 -7.356 9.683 -7.290 143 H ASN 24 H ASN 24 -2.619 11.564 -1.079 144 HA ASN 24 HA ASN 24 -1.590 10.799 -3.615 145 1HB ASN 24 1HB ASN 24 -0.209 11.697 -1.081 146 2HB ASN 24 2HB ASN 24 0.623 11.470 -2.621 147 1HD2 ASN 24 1HD2 ASN 24 -1.324 14.906 -1.979 148 2HD2 ASN 24 2HD2 ASN 24 -0.964 13.792 -0.752 149 H GLU 25 H GLU 25 -0.741 9.620 -0.340 150 HA GLU 25 HA GLU 25 0.925 7.507 -1.012 151 1HB GLU 25 1HB GLU 25 -1.279 7.573 1.063 152 2HB GLU 25 2HB GLU 25 -0.010 6.350 1.011 153 1HG GLU 25 1HG GLU 25 0.293 9.321 1.481 154 2HG GLU 25 2HG GLU 25 0.725 8.005 2.574 155 H CYS 26 H CYS 26 -2.578 7.717 -1.254 156 HA CYS 26 HA CYS 26 -3.036 4.975 -1.934 157 1HB CYS 26 1HB CYS 26 -4.888 6.275 -1.181 158 2HB CYS 26 2HB CYS 26 -4.605 7.505 -2.415 159 HG CYS 26 HG CYS 26 -5.338 5.723 -4.232 160 H LYS 27 H LYS 27 -3.932 7.387 -4.240 161 HA LYS 27 HA LYS 27 -3.470 6.008 -6.558 162 1HB LYS 27 1HB LYS 27 -3.511 8.787 -5.659 163 2HB LYS 27 2HB LYS 27 -2.696 8.548 -7.213 164 1HG LYS 27 1HG LYS 27 -4.899 6.989 -7.566 165 2HG LYS 27 2HG LYS 27 -5.562 8.232 -6.504 166 1HD LYS 27 1HD LYS 27 -5.865 8.968 -8.791 167 2HD LYS 27 2HD LYS 27 -4.612 9.969 -8.057 168 1HE LYS 27 1HE LYS 27 -3.041 9.228 -9.499 169 2HE LYS 27 2HE LYS 27 -3.520 7.545 -9.271 170 1HZ LYS 27 1HZ LYS 27 -5.507 8.978 -10.701 171 2HZ LYS 27 2HZ LYS 27 -4.003 9.126 -11.477 172 3HZ LYS 27 3HZ LYS 27 -4.651 7.588 -11.161 173 H ASN 28 H ASN 28 -1.055 7.944 -4.764 174 HA ASN 28 HA ASN 28 1.114 7.674 -6.532 175 1HB ASN 28 1HB ASN 28 1.196 9.074 -4.502 176 2HB ASN 28 2HB ASN 28 1.185 7.624 -3.499 177 1HD2 ASN 28 1HD2 ASN 28 4.717 8.936 -4.532 178 2HD2 ASN 28 2HD2 ASN 28 3.318 9.860 -4.264 179 H GLN 29 H GLN 29 0.125 5.467 -3.891 180 HA GLN 29 HA GLN 29 2.177 3.525 -4.528 181 1HB GLN 29 1HB GLN 29 -0.402 3.225 -2.964 182 2HB GLN 29 2HB GLN 29 0.915 2.049 -2.993 183 1HG GLN 29 1HG GLN 29 1.447 4.917 -2.245 184 2HG GLN 29 2HG GLN 29 0.840 3.781 -1.043 185 1HE2 GLN 29 1HE2 GLN 29 4.656 3.751 -1.231 186 2HE2 GLN 29 2HE2 GLN 29 3.552 5.038 -1.152 187 H VAL 30 H VAL 30 -0.966 4.234 -5.791 188 HA VAL 30 HA VAL 30 -0.652 2.002 -7.712 189 HB VAL 30 HB VAL 30 -3.124 1.455 -7.385 190 1HG1 VAL 30 1HG1 VAL 30 -1.238 0.044 -6.556 191 2HG1 VAL 30 2HG1 VAL 30 -1.270 0.945 -5.040 192 3HG1 VAL 30 3HG1 VAL 30 -2.655 -0.041 -5.509 193 1HG2 VAL 30 1HG2 VAL 30 -2.764 3.584 -5.443 194 2HG2 VAL 30 2HG2 VAL 30 -4.257 2.815 -5.985 195 3HG2 VAL 30 3HG2 VAL 30 -3.333 2.110 -4.660 196 H ASP 31 H ASP 31 -0.168 3.922 -9.058 197 HA ASP 31 HA ASP 31 -2.604 5.488 -9.773 198 1HB ASP 31 1HB ASP 31 -0.694 6.869 -9.090 199 2HB ASP 31 2HB ASP 31 0.324 6.073 -10.292 200 H GLY 32 H GLY 32 -0.322 3.184 -10.882 201 1HA GLY 32 1HA GLY 32 -1.579 3.274 -13.597 202 2HA GLY 32 2HA GLY 32 0.137 2.920 -13.375 203 H TYR 33 H TYR 33 -2.608 1.753 -11.452 204 HA TYR 33 HA TYR 33 -1.966 -0.982 -12.361 205 1HB TYR 33 1HB TYR 33 -2.703 -0.165 -9.541 206 2HB TYR 33 2HB TYR 33 -2.306 -1.796 -10.082 207 HD1 TYR 33 HD1 TYR 33 -0.916 1.675 -9.952 208 HD2 TYR 33 HD2 TYR 33 -0.074 -2.536 -10.037 209 HE1 TYR 33 HE1 TYR 33 1.489 2.151 -9.591 210 HE2 TYR 33 HE2 TYR 33 2.333 -2.062 -9.676 211 HH TYR 33 HH TYR 33 3.627 1.139 -9.892 212 H GLY 34 H GLY 34 -3.751 -1.162 -13.745 213 1HA GLY 34 1HA GLY 34 -6.382 -0.230 -13.164 214 2HA GLY 34 2HA GLY 34 -5.998 -1.497 -14.329 215 H GLY 35 H GLY 35 -4.774 -3.306 -12.443 216 1HA GLY 35 1HA GLY 35 -6.996 -3.908 -10.556 217 2HA GLY 35 2HA GLY 35 -6.512 -5.145 -11.718 218 H ALA 36 H ALA 36 -4.652 -2.866 -9.685 219 HA ALA 36 HA ALA 36 -2.529 -4.705 -9.180 220 1HB ALA 36 1HB ALA 36 -3.325 -2.046 -8.287 221 2HB ALA 36 2HB ALA 36 -2.611 -2.986 -6.976 222 3HB ALA 36 3HB ALA 36 -1.707 -2.724 -8.468 223 H ILE 37 H ILE 37 -2.041 -5.108 -6.631 224 HA ILE 37 HA ILE 37 -4.143 -6.957 -5.759 225 HB ILE 37 HB ILE 37 -1.771 -7.587 -5.521 226 1HG1 ILE 37 1HG1 ILE 37 -3.552 -8.318 -3.826 227 2HG1 ILE 37 2HG1 ILE 37 -1.877 -8.442 -3.298 228 1HG2 ILE 37 1HG2 ILE 37 -1.385 -4.955 -4.888 229 2HG2 ILE 37 2HG2 ILE 37 -1.237 -5.717 -3.310 230 3HG2 ILE 37 3HG2 ILE 37 -0.196 -6.229 -4.634 231 1HD1 ILE 37 1HD1 ILE 37 -2.697 -5.823 -2.610 232 2HD1 ILE 37 2HD1 ILE 37 -4.031 -6.884 -2.153 233 3HD1 ILE 37 3HD1 ILE 37 -2.415 -7.175 -1.513 234 H TYR 38 H TYR 38 -2.884 -3.860 -4.977 235 HA TYR 38 HA TYR 38 -3.480 -3.171 -2.489 236 1HB TYR 38 1HB TYR 38 -4.075 -0.988 -3.182 237 2HB TYR 38 2HB TYR 38 -2.951 -1.603 -4.380 238 HD1 TYR 38 HD1 TYR 38 -5.288 -3.543 -5.514 239 HD2 TYR 38 HD2 TYR 38 -4.874 0.683 -4.851 240 HE1 TYR 38 HE1 TYR 38 -6.942 -3.100 -7.298 241 HE2 TYR 38 HE2 TYR 38 -6.539 1.121 -6.631 242 HH TYR 38 HH TYR 38 -7.326 -0.786 -8.921 243 H LYS 39 H LYS 39 -5.182 -2.678 -1.142 244 HA LYS 39 HA LYS 39 -7.918 -3.478 -2.037 245 1HB LYS 39 1HB LYS 39 -6.257 -4.642 0.073 246 2HB LYS 39 2HB LYS 39 -7.802 -4.059 0.691 247 1HG LYS 39 1HG LYS 39 -8.464 -6.155 0.000 248 2HG LYS 39 2HG LYS 39 -8.703 -5.281 -1.515 249 1HD LYS 39 1HD LYS 39 -6.260 -5.879 -2.046 250 2HD LYS 39 2HD LYS 39 -6.378 -7.036 -0.720 251 1HE LYS 39 1HE LYS 39 -8.688 -7.236 -2.459 252 2HE LYS 39 2HE LYS 39 -7.196 -7.439 -3.378 253 1HZ LYS 39 1HZ LYS 39 -7.098 -8.811 -0.882 254 2HZ LYS 39 2HZ LYS 39 -8.415 -9.332 -1.821 255 3HZ LYS 39 3HZ LYS 39 -6.843 -9.409 -2.453 256 H LYS 40 H LYS 40 -8.399 -1.229 -2.248 257 HA LYS 40 HA LYS 40 -7.822 0.864 -0.542 258 1HB LYS 40 1HB LYS 40 -9.603 0.436 -2.646 259 2HB LYS 40 2HB LYS 40 -10.636 0.941 -1.308 260 1HG LYS 40 1HG LYS 40 -8.316 2.583 -1.253 261 2HG LYS 40 2HG LYS 40 -8.901 2.553 -2.920 262 1HD LYS 40 1HD LYS 40 -10.628 3.130 -0.495 263 2HD LYS 40 2HD LYS 40 -9.965 4.362 -1.569 264 1HE LYS 40 1HE LYS 40 -11.166 3.350 -3.475 265 2HE LYS 40 2HE LYS 40 -11.833 2.121 -2.401 266 1HZ LYS 40 1HZ LYS 40 -12.221 5.031 -1.985 267 2HZ LYS 40 2HZ LYS 40 -13.317 4.059 -2.845 268 3HZ LYS 40 3HZ LYS 40 -13.022 3.759 -1.199 269 H PHE 41 H PHE 41 -9.007 1.888 1.195 270 HA PHE 41 HA PHE 41 -11.032 0.338 2.644 271 1HB PHE 41 1HB PHE 41 -8.206 0.278 3.405 272 2HB PHE 41 2HB PHE 41 -9.314 0.735 4.708 273 HD1 PHE 41 HD1 PHE 41 -11.519 -0.658 4.866 274 HD2 PHE 41 HD2 PHE 41 -7.945 -2.014 2.913 275 HE1 PHE 41 HE1 PHE 41 -12.314 -2.990 5.041 276 HE2 PHE 41 HE2 PHE 41 -8.735 -4.359 3.097 277 HZ PHE 41 HZ PHE 41 -10.923 -4.848 4.161 278 H ASN 42 H ASN 42 -11.920 1.537 4.427 279 HA ASN 42 HA ASN 42 -11.194 4.435 4.436 280 1HB ASN 42 1HB ASN 42 -13.186 4.147 3.076 281 2HB ASN 42 2HB ASN 42 -13.928 3.156 4.329 282 1HD2 ASN 42 1HD2 ASN 42 -15.412 6.423 4.988 283 2HD2 ASN 42 2HD2 ASN 42 -15.603 5.096 3.947 284 H SER 43 H SER 43 -10.263 2.537 6.259 285 HA SER 43 HA SER 43 -10.865 3.641 8.762 286 1HB SER 43 1HB SER 43 -12.867 1.734 7.804 287 2HB SER 43 2HB SER 43 -12.162 1.249 9.347 288 HG SER 43 HG SER 43 -13.246 3.806 8.731 289 H TYR 44 H TYR 44 -8.675 3.249 9.098 290 HA TYR 44 HA TYR 44 -7.067 1.123 8.503 291 1HB TYR 44 1HB TYR 44 -6.690 3.241 10.061 292 2HB TYR 44 2HB TYR 44 -6.965 2.064 11.345 293 HD1 TYR 44 HD1 TYR 44 -5.810 -0.115 9.133 294 HD2 TYR 44 HD2 TYR 44 -4.355 3.381 11.156 295 HE1 TYR 44 HE1 TYR 44 -3.492 -0.946 8.891 296 HE2 TYR 44 HE2 TYR 44 -2.029 2.554 10.909 297 HH TYR 44 HH TYR 44 -1.242 -0.145 8.894 298 H GLU 45 H GLU 45 -9.691 1.093 10.825 299 HA GLU 45 HA GLU 45 -8.990 -1.290 12.216 300 1HB GLU 45 1HB GLU 45 -11.734 -0.172 11.585 301 2HB GLU 45 2HB GLU 45 -11.392 -1.412 12.792 302 1HG GLU 45 1HG GLU 45 -10.380 1.444 12.784 303 2HG GLU 45 2HG GLU 45 -11.513 0.724 13.929 304 H GLN 46 H GLN 46 -11.108 -0.864 9.344 305 HA GLN 46 HA GLN 46 -11.467 -3.691 9.037 306 1HB GLN 46 1HB GLN 46 -11.967 -1.426 7.102 307 2HB GLN 46 2HB GLN 46 -12.513 -3.088 6.875 308 1HG GLN 46 1HG GLN 46 -13.291 -2.183 9.494 309 2HG GLN 46 2HG GLN 46 -13.838 -1.020 8.286 310 1HE2 GLN 46 1HE2 GLN 46 -15.859 -4.437 8.667 311 2HE2 GLN 46 2HE2 GLN 46 -14.774 -3.843 9.829 312 H ALA 47 H ALA 47 -9.541 -1.249 7.402 313 HA ALA 47 HA ALA 47 -8.331 -2.927 5.499 314 1HB ALA 47 1HB ALA 47 -8.178 -0.260 6.246 315 2HB ALA 47 2HB ALA 47 -6.559 -0.873 6.577 316 3HB ALA 47 3HB ALA 47 -7.246 -1.022 4.959 317 H LYS 48 H LYS 48 -6.993 -1.855 8.632 318 HA LYS 48 HA LYS 48 -4.843 -3.743 8.562 319 1HB LYS 48 1HB LYS 48 -4.105 -2.644 10.365 320 2HB LYS 48 2HB LYS 48 -5.537 -1.635 10.247 321 1HG LYS 48 1HG LYS 48 -5.543 -4.269 11.726 322 2HG LYS 48 2HG LYS 48 -5.141 -2.737 12.507 323 1HD LYS 48 1HD LYS 48 -7.265 -1.894 12.276 324 2HD LYS 48 2HD LYS 48 -7.591 -2.851 10.831 325 1HE LYS 48 1HE LYS 48 -8.909 -3.678 12.759 326 2HE LYS 48 2HE LYS 48 -7.751 -4.891 12.213 327 1HZ LYS 48 1HZ LYS 48 -6.281 -3.563 13.984 328 2HZ LYS 48 2HZ LYS 48 -7.817 -3.367 14.682 329 3HZ LYS 48 3HZ LYS 48 -7.210 -4.925 14.380 330 H SER 49 H SER 49 -8.178 -3.985 9.533 331 HA SER 49 HA SER 49 -7.934 -6.397 11.051 332 1HB SER 49 1HB SER 49 -10.000 -5.270 11.304 333 2HB SER 49 2HB SER 49 -10.202 -5.074 9.566 334 HG SER 49 HG SER 49 -10.959 -7.108 11.174 335 H PHE 50 H PHE 50 -8.060 -5.633 7.649 336 HA PHE 50 HA PHE 50 -8.531 -8.367 6.759 337 1HB PHE 50 1HB PHE 50 -8.847 -6.018 5.515 338 2HB PHE 50 2HB PHE 50 -7.186 -6.342 5.018 339 HD1 PHE 50 HD1 PHE 50 -6.710 -8.757 4.105 340 HD2 PHE 50 HD2 PHE 50 -10.614 -6.976 4.303 341 HE1 PHE 50 HE1 PHE 50 -7.527 -10.356 2.395 342 HE2 PHE 50 HE2 PHE 50 -11.433 -8.578 2.594 343 HZ PHE 50 HZ PHE 50 -9.888 -10.267 1.640 344 H LEU 51 H LEU 51 -5.730 -6.162 6.835 345 HA LEU 51 HA LEU 51 -3.800 -7.898 5.862 346 1HB LEU 51 1HB LEU 51 -3.103 -6.190 8.207 347 2HB LEU 51 2HB LEU 51 -2.218 -6.448 6.717 348 HG LEU 51 HG LEU 51 -4.657 -4.735 7.123 349 1HD1 LEU 51 1HD1 LEU 51 -1.945 -4.191 7.343 350 2HD1 LEU 51 2HD1 LEU 51 -2.341 -3.649 5.712 351 3HD1 LEU 51 3HD1 LEU 51 -3.217 -2.995 7.096 352 1HD2 LEU 51 1HD2 LEU 51 -4.254 -6.239 4.881 353 2HD2 LEU 51 2HD2 LEU 51 -5.074 -4.675 4.898 354 3HD2 LEU 51 3HD2 LEU 51 -3.361 -4.772 4.479 355 H GLY 52 H GLY 52 -1.890 -8.536 7.635 356 1HA GLY 52 1HA GLY 52 -3.237 -10.522 9.397 357 2HA GLY 52 2HA GLY 52 -1.552 -10.599 8.872 Start of MODEL 7 1 H GLY 6 H GLY 6 -8.154 11.979 0.535 2 1HA GLY 6 1HA GLY 6 -6.611 10.891 2.065 3 2HA GLY 6 2HA GLY 6 -7.624 11.408 3.406 4 H ASN 7 H ASN 7 -6.710 8.687 1.898 5 HA ASN 7 HA ASN 7 -9.215 7.327 2.610 6 1HB ASN 7 1HB ASN 7 -7.671 6.701 0.103 7 2HB ASN 7 2HB ASN 7 -9.172 5.970 0.624 8 1HD2 ASN 7 1HD2 ASN 7 -11.196 8.575 -0.650 9 2HD2 ASN 7 2HD2 ASN 7 -11.142 7.088 0.168 10 H PHE 8 H PHE 8 -8.820 4.929 2.860 11 HA PHE 8 HA PHE 8 -6.066 4.522 3.939 12 1HB PHE 8 1HB PHE 8 -8.689 3.085 4.432 13 2HB PHE 8 2HB PHE 8 -7.142 2.491 5.033 14 HD1 PHE 8 HD1 PHE 8 -5.864 3.774 6.719 15 HD2 PHE 8 HD2 PHE 8 -9.746 5.043 5.387 16 HE1 PHE 8 HE1 PHE 8 -6.028 5.307 8.661 17 HE2 PHE 8 HE2 PHE 8 -9.911 6.575 7.331 18 HZ PHE 8 HZ PHE 8 -8.051 6.707 8.967 19 H TYR 9 H TYR 9 -4.731 2.949 2.972 20 HA TYR 9 HA TYR 9 -6.077 1.167 0.998 21 1HB TYR 9 1HB TYR 9 -4.555 3.380 0.214 22 2HB TYR 9 2HB TYR 9 -3.519 1.971 -0.051 23 HD1 TYR 9 HD1 TYR 9 -4.909 -0.172 -0.912 24 HD2 TYR 9 HD2 TYR 9 -5.953 3.944 -1.566 25 HE1 TYR 9 HE1 TYR 9 -6.306 -0.831 -2.863 26 HE2 TYR 9 HE2 TYR 9 -7.343 3.288 -3.512 27 HH TYR 9 HH TYR 9 -8.506 1.344 -4.354 28 H ALA 10 H ALA 10 -5.577 -0.868 1.547 29 HA ALA 10 HA ALA 10 -3.130 -1.441 3.053 30 1HB ALA 10 1HB ALA 10 -5.525 -2.964 2.153 31 2HB ALA 10 2HB ALA 10 -4.039 -3.892 2.355 32 3HB ALA 10 3HB ALA 10 -4.706 -2.991 3.716 33 H VAL 11 H VAL 11 -1.319 -1.101 1.736 34 HA VAL 11 HA VAL 11 -1.201 -2.733 -0.755 35 HB VAL 11 HB VAL 11 -0.440 0.179 -0.657 36 1HG1 VAL 11 1HG1 VAL 11 -0.516 -1.989 -2.693 37 2HG1 VAL 11 2HG1 VAL 11 -0.929 -0.358 -3.217 38 3HG1 VAL 11 3HG1 VAL 11 0.649 -0.682 -2.488 39 1HG2 VAL 11 1HG2 VAL 11 -3.029 -1.184 -1.389 40 2HG2 VAL 11 2HG2 VAL 11 -2.779 0.166 -0.285 41 3HG2 VAL 11 3HG2 VAL 11 -2.603 0.406 -2.025 42 H ARG 12 H ARG 12 0.918 -2.952 -1.662 43 HA ARG 12 HA ARG 12 3.292 -1.859 -0.645 44 1HB ARG 12 1HB ARG 12 2.452 -3.205 1.403 45 2HB ARG 12 2HB ARG 12 2.930 -4.627 0.479 46 1HG ARG 12 1HG ARG 12 5.118 -4.273 0.905 47 2HG ARG 12 2HG ARG 12 4.999 -2.582 0.417 48 1HD ARG 12 1HD ARG 12 4.816 -1.860 2.557 49 2HD ARG 12 2HD ARG 12 3.689 -3.147 2.982 50 HE ARG 12 HE ARG 12 5.536 -4.497 3.660 51 1HH1 ARG 12 1HH1 ARG 12 6.748 -2.330 1.370 52 2HH1 ARG 12 2HH1 ARG 12 8.293 -2.135 2.127 53 1HH2 ARG 12 1HH2 ARG 12 7.426 -3.929 4.964 54 2HH2 ARG 12 2HH2 ARG 12 8.678 -3.041 4.162 55 H LYS 13 H LYS 13 1.625 -4.437 -2.286 56 HA LYS 13 HA LYS 13 2.234 -5.550 -4.264 57 1HB LYS 13 1HB LYS 13 4.140 -3.392 -4.108 58 2HB LYS 13 2HB LYS 13 4.949 -4.859 -4.664 59 1HG LYS 13 1HG LYS 13 2.672 -5.005 -6.120 60 2HG LYS 13 2HG LYS 13 2.821 -3.254 -5.970 61 1HD LYS 13 1HD LYS 13 5.287 -3.601 -6.670 62 2HD LYS 13 2HD LYS 13 4.768 -5.199 -7.201 63 1HE LYS 13 1HE LYS 13 4.023 -2.508 -8.283 64 2HE LYS 13 2HE LYS 13 4.418 -3.993 -9.150 65 1HZ LYS 13 1HZ LYS 13 2.249 -4.820 -7.975 66 2HZ LYS 13 2HZ LYS 13 1.882 -3.165 -7.935 67 3HZ LYS 13 3HZ LYS 13 2.171 -3.934 -9.423 68 H GLY 14 H GLY 14 2.492 -7.675 -3.896 69 1HA GLY 14 1HA GLY 14 4.125 -9.530 -3.696 70 2HA GLY 14 2HA GLY 14 4.967 -8.571 -2.476 71 H ARG 15 H ARG 15 4.573 -9.235 -0.429 72 HA ARG 15 HA ARG 15 1.864 -10.347 0.173 73 1HB ARG 15 1HB ARG 15 4.561 -11.472 0.677 74 2HB ARG 15 2HB ARG 15 3.425 -11.580 2.024 75 1HG ARG 15 1HG ARG 15 1.968 -12.957 0.864 76 2HG ARG 15 2HG ARG 15 2.458 -12.327 -0.709 77 1HD ARG 15 1HD ARG 15 3.428 -14.469 -0.673 78 2HD ARG 15 2HD ARG 15 4.758 -13.421 -0.181 79 HE ARG 15 HE ARG 15 4.774 -14.700 1.790 80 1HH1 ARG 15 1HH1 ARG 15 2.501 -13.295 3.000 81 2HH1 ARG 15 2HH1 ARG 15 1.343 -14.557 3.260 82 1HH2 ARG 15 1HH2 ARG 15 2.879 -16.776 1.080 83 2HH2 ARG 15 2HH2 ARG 15 1.558 -16.530 2.172 84 H GLU 16 H GLU 16 4.819 -9.050 1.734 85 HA GLU 16 HA GLU 16 3.536 -8.213 4.138 86 1HB GLU 16 1HB GLU 16 6.031 -7.351 2.686 87 2HB GLU 16 2HB GLU 16 5.493 -6.475 4.119 88 1HG GLU 16 1HG GLU 16 5.698 -9.474 4.184 89 2HG GLU 16 2HG GLU 16 7.142 -8.486 4.410 90 H THR 17 H THR 17 1.511 -7.290 3.389 91 HA THR 17 HA THR 17 1.550 -4.938 1.671 92 HB THR 17 HB THR 17 -0.923 -5.004 2.948 93 HG1 THR 17 HG1 THR 17 -0.092 -7.646 2.380 94 1HG2 THR 17 1HG2 THR 17 0.110 -5.175 0.397 95 2HG2 THR 17 2HG2 THR 17 -0.689 -6.734 0.588 96 3HG2 THR 17 3HG2 THR 17 -1.604 -5.243 0.801 97 H GLY 18 H GLY 18 0.688 -2.833 2.373 98 1HA GLY 18 1HA GLY 18 1.210 -2.262 5.269 99 2HA GLY 18 2HA GLY 18 1.826 -1.197 3.997 100 H ILE 19 H ILE 19 0.354 0.445 5.181 101 HA ILE 19 HA ILE 19 -2.214 0.397 3.811 102 HB ILE 19 HB ILE 19 -2.061 0.720 6.803 103 1HG1 ILE 19 1HG1 ILE 19 -2.963 -1.503 4.967 104 2HG1 ILE 19 2HG1 ILE 19 -1.840 -1.593 6.322 105 1HG2 ILE 19 1HG2 ILE 19 -4.328 0.864 4.795 106 2HG2 ILE 19 2HG2 ILE 19 -4.586 0.698 6.529 107 3HG2 ILE 19 3HG2 ILE 19 -3.790 2.136 5.891 108 1HD1 ILE 19 1HD1 ILE 19 -4.268 -0.591 7.366 109 2HD1 ILE 19 2HD1 ILE 19 -4.690 -1.943 6.319 110 3HD1 ILE 19 3HD1 ILE 19 -3.555 -2.177 7.646 111 H TYR 20 H TYR 20 -2.508 2.354 2.892 112 HA TYR 20 HA TYR 20 -1.042 4.690 3.990 113 1HB TYR 20 1HB TYR 20 -2.899 4.681 1.633 114 2HB TYR 20 2HB TYR 20 -1.631 5.837 1.985 115 HD1 TYR 20 HD1 TYR 20 0.726 4.386 2.564 116 HD2 TYR 20 HD2 TYR 20 -2.351 3.393 -0.264 117 HE1 TYR 20 HE1 TYR 20 2.359 3.053 1.255 118 HE2 TYR 20 HE2 TYR 20 -0.718 2.062 -1.575 119 HH TYR 20 HH TYR 20 2.356 2.344 -1.500 120 H ASN 21 H ASN 21 -2.440 6.780 3.841 121 HA ASN 21 HA ASN 21 -5.259 6.424 4.561 122 1HB ASN 21 1HB ASN 21 -4.254 5.998 6.652 123 2HB ASN 21 2HB ASN 21 -3.055 7.260 6.401 124 1HD2 ASN 21 1HD2 ASN 21 -6.890 8.606 7.114 125 2HD2 ASN 21 2HD2 ASN 21 -6.651 7.288 6.070 126 H THR 22 H THR 22 -4.553 7.639 2.344 127 HA THR 22 HA THR 22 -5.018 10.466 2.809 128 HB THR 22 HB THR 22 -2.610 9.904 1.159 129 HG1 THR 22 HG1 THR 22 -2.496 10.110 3.976 130 1HG2 THR 22 1HG2 THR 22 -3.769 12.115 2.769 131 2HG2 THR 22 2HG2 THR 22 -2.012 12.041 2.644 132 3HG2 THR 22 3HG2 THR 22 -2.994 12.161 1.184 133 H TRP 23 H TRP 23 -5.361 11.602 0.663 134 HA TRP 23 HA TRP 23 -6.610 9.746 -1.239 135 1HB TRP 23 1HB TRP 23 -7.835 11.726 -1.204 136 2HB TRP 23 2HB TRP 23 -6.406 12.728 -0.973 137 HD1 TRP 23 HD1 TRP 23 -8.602 11.197 -3.633 138 HE1 TRP 23 HE1 TRP 23 -7.813 11.996 -5.956 139 HE3 TRP 23 HE3 TRP 23 -4.232 13.467 -2.332 140 HZ2 TRP 23 HZ2 TRP 23 -5.608 13.415 -7.109 141 HZ3 TRP 23 HZ3 TRP 23 -2.799 14.535 -4.056 142 HH2 TRP 23 HH2 TRP 23 -3.483 14.511 -6.440 143 H ASN 24 H ASN 24 -3.840 11.931 -1.064 144 HA ASN 24 HA ASN 24 -2.787 11.413 -3.644 145 1HB ASN 24 1HB ASN 24 -1.977 13.307 -2.368 146 2HB ASN 24 2HB ASN 24 -1.430 12.246 -1.070 147 1HD2 ASN 24 1HD2 ASN 24 1.699 11.736 -2.583 148 2HD2 ASN 24 2HD2 ASN 24 0.757 11.727 -1.171 149 H GLU 25 H GLU 25 -1.786 10.109 -0.474 150 HA GLU 25 HA GLU 25 0.039 8.187 -1.301 151 1HB GLU 25 1HB GLU 25 -2.088 8.002 0.847 152 2HB GLU 25 2HB GLU 25 -0.784 6.828 0.667 153 1HG GLU 25 1HG GLU 25 -0.502 9.791 1.235 154 2HG GLU 25 2HG GLU 25 -0.115 8.460 2.328 155 H CYS 26 H CYS 26 -3.508 8.046 -1.408 156 HA CYS 26 HA CYS 26 -3.657 5.306 -2.248 157 1HB CYS 26 1HB CYS 26 -5.629 6.311 -1.353 158 2HB CYS 26 2HB CYS 26 -5.557 7.625 -2.528 159 HG CYS 26 HG CYS 26 -7.135 5.269 -3.046 160 H LYS 27 H LYS 27 -3.794 8.293 -4.095 161 HA LYS 27 HA LYS 27 -3.794 6.917 -6.621 162 1HB LYS 27 1HB LYS 27 -3.913 9.597 -5.534 163 2HB LYS 27 2HB LYS 27 -2.991 9.536 -7.050 164 1HG LYS 27 1HG LYS 27 -5.625 8.097 -6.860 165 2HG LYS 27 2HG LYS 27 -5.621 9.843 -7.111 166 1HD LYS 27 1HD LYS 27 -5.033 9.606 -9.272 167 2HD LYS 27 2HD LYS 27 -3.694 8.539 -8.847 168 1HE LYS 27 1HE LYS 27 -5.052 6.606 -8.929 169 2HE LYS 27 2HE LYS 27 -6.542 7.542 -8.829 170 1HZ LYS 27 1HZ LYS 27 -5.475 8.547 -11.046 171 2HZ LYS 27 2HZ LYS 27 -4.860 6.969 -11.126 172 3HZ LYS 27 3HZ LYS 27 -6.538 7.222 -11.041 173 H ASN 28 H ASN 28 -1.361 8.318 -4.498 174 HA ASN 28 HA ASN 28 0.824 8.349 -6.344 175 1HB ASN 28 1HB ASN 28 0.548 9.223 -3.826 176 2HB ASN 28 2HB ASN 28 1.307 7.670 -3.476 177 1HD2 ASN 28 1HD2 ASN 28 4.475 9.008 -4.203 178 2HD2 ASN 28 2HD2 ASN 28 3.521 8.004 -3.220 179 H GLN 29 H GLN 29 -0.344 5.895 -4.056 180 HA GLN 29 HA GLN 29 1.664 3.965 -4.848 181 1HB GLN 29 1HB GLN 29 0.298 2.374 -3.507 182 2HB GLN 29 2HB GLN 29 0.656 3.858 -2.625 183 1HG GLN 29 1HG GLN 29 -1.544 4.113 -2.289 184 2HG GLN 29 2HG GLN 29 -1.710 4.380 -4.021 185 1HE2 GLN 29 1HE2 GLN 29 -3.846 1.445 -2.980 186 2HE2 GLN 29 2HE2 GLN 29 -3.742 3.051 -2.436 187 H VAL 30 H VAL 30 -1.613 4.766 -5.918 188 HA VAL 30 HA VAL 30 -1.164 2.877 -8.171 189 HB VAL 30 HB VAL 30 -3.568 2.110 -7.945 190 1HG1 VAL 30 1HG1 VAL 30 -1.341 1.485 -6.047 191 2HG1 VAL 30 2HG1 VAL 30 -2.918 0.767 -5.731 192 3HG1 VAL 30 3HG1 VAL 30 -2.098 0.452 -7.259 193 1HG2 VAL 30 1HG2 VAL 30 -4.269 3.981 -6.463 194 2HG2 VAL 30 2HG2 VAL 30 -4.609 2.407 -5.744 195 3HG2 VAL 30 3HG2 VAL 30 -3.219 3.344 -5.201 196 H ASP 31 H ASP 31 -0.834 4.899 -9.361 197 HA ASP 31 HA ASP 31 -3.408 6.313 -9.938 198 1HB ASP 31 1HB ASP 31 -1.918 7.936 -9.017 199 2HB ASP 31 2HB ASP 31 -0.553 7.320 -9.947 200 H GLY 32 H GLY 32 -3.334 4.120 -11.316 201 1HA GLY 32 1HA GLY 32 -3.674 4.211 -13.863 202 2HA GLY 32 2HA GLY 32 -1.983 4.717 -13.916 203 H TYR 33 H TYR 33 -3.393 2.239 -11.800 204 HA TYR 33 HA TYR 33 -1.686 0.255 -13.175 205 1HB TYR 33 1HB TYR 33 -2.418 0.378 -10.241 206 2HB TYR 33 2HB TYR 33 -1.447 -0.886 -10.996 207 HD1 TYR 33 HD1 TYR 33 -1.584 2.862 -10.841 208 HD2 TYR 33 HD2 TYR 33 0.870 -0.664 -10.882 209 HE1 TYR 33 HE1 TYR 33 0.440 4.269 -10.574 210 HE2 TYR 33 HE2 TYR 33 2.895 0.744 -10.614 211 HH TYR 33 HH TYR 33 3.187 3.696 -11.292 212 H GLY 34 H GLY 34 -3.071 -0.971 -14.382 213 1HA GLY 34 1HA GLY 34 -5.833 -1.415 -13.589 214 2HA GLY 34 2HA GLY 34 -5.021 -2.155 -14.968 215 H GLY 35 H GLY 35 -2.847 -2.980 -12.888 216 1HA GLY 35 1HA GLY 35 -4.378 -5.172 -11.573 217 2HA GLY 35 2HA GLY 35 -3.017 -5.587 -12.613 218 H ALA 36 H ALA 36 -3.054 -2.752 -10.496 219 HA ALA 36 HA ALA 36 -0.550 -3.598 -9.266 220 1HB ALA 36 1HB ALA 36 -2.268 -1.220 -9.240 221 2HB ALA 36 2HB ALA 36 -1.564 -1.581 -7.664 222 3HB ALA 36 3HB ALA 36 -0.516 -1.336 -9.066 223 H ILE 37 H ILE 37 -0.311 -3.945 -6.900 224 HA ILE 37 HA ILE 37 -2.654 -5.420 -5.856 225 HB ILE 37 HB ILE 37 0.003 -6.041 -5.673 226 1HG1 ILE 37 1HG1 ILE 37 -1.826 -7.566 -5.188 227 2HG1 ILE 37 2HG1 ILE 37 -0.742 -7.548 -3.795 228 1HG2 ILE 37 1HG2 ILE 37 -0.773 -4.660 -3.090 229 2HG2 ILE 37 2HG2 ILE 37 0.655 -5.676 -3.301 230 3HG2 ILE 37 3HG2 ILE 37 0.515 -4.157 -4.189 231 1HD1 ILE 37 1HD1 ILE 37 -2.395 -5.491 -3.135 232 2HD1 ILE 37 2HD1 ILE 37 -3.512 -6.511 -4.046 233 3HD1 ILE 37 3HD1 ILE 37 -2.679 -7.160 -2.635 234 H TYR 38 H TYR 38 -3.959 -4.518 -4.367 235 HA TYR 38 HA TYR 38 -3.162 -2.792 -2.302 236 1HB TYR 38 1HB TYR 38 -3.797 -0.620 -3.064 237 2HB TYR 38 2HB TYR 38 -2.648 -1.257 -4.215 238 HD1 TYR 38 HD1 TYR 38 -4.760 -3.213 -5.547 239 HD2 TYR 38 HD2 TYR 38 -4.767 0.973 -4.583 240 HE1 TYR 38 HE1 TYR 38 -6.361 -2.796 -7.381 241 HE2 TYR 38 HE2 TYR 38 -6.384 1.386 -6.414 242 HH TYR 38 HH TYR 38 -7.632 -1.294 -8.405 243 H LYS 39 H LYS 39 -4.714 -3.281 -0.867 244 HA LYS 39 HA LYS 39 -7.480 -3.742 -1.825 245 1HB LYS 39 1HB LYS 39 -5.896 -4.535 0.571 246 2HB LYS 39 2HB LYS 39 -7.618 -4.248 0.830 247 1HG LYS 39 1HG LYS 39 -7.572 -6.519 0.244 248 2HG LYS 39 2HG LYS 39 -7.932 -5.735 -1.295 249 1HD LYS 39 1HD LYS 39 -5.869 -6.207 -2.176 250 2HD LYS 39 2HD LYS 39 -5.055 -6.056 -0.619 251 1HE LYS 39 1HE LYS 39 -6.497 -8.233 -0.071 252 2HE LYS 39 2HE LYS 39 -6.421 -8.423 -1.824 253 1HZ LYS 39 1HZ LYS 39 -3.896 -7.805 -1.286 254 2HZ LYS 39 2HZ LYS 39 -4.306 -8.603 0.157 255 3HZ LYS 39 3HZ LYS 39 -4.474 -9.402 -1.331 256 H LYS 40 H LYS 40 -8.107 -1.565 -2.195 257 HA LYS 40 HA LYS 40 -7.679 0.679 -0.616 258 1HB LYS 40 1HB LYS 40 -9.182 0.203 -2.808 259 2HB LYS 40 2HB LYS 40 -10.465 0.312 -1.603 260 1HG LYS 40 1HG LYS 40 -8.486 2.413 -1.239 261 2HG LYS 40 2HG LYS 40 -9.185 2.457 -2.859 262 1HD LYS 40 1HD LYS 40 -11.302 1.944 -1.017 263 2HD LYS 40 2HD LYS 40 -10.372 3.310 -0.399 264 1HE LYS 40 1HE LYS 40 -12.053 4.201 -1.880 265 2HE LYS 40 2HE LYS 40 -10.502 4.326 -2.711 266 1HZ LYS 40 1HZ LYS 40 -11.945 1.843 -3.105 267 2HZ LYS 40 2HZ LYS 40 -12.670 3.215 -3.786 268 3HZ LYS 40 3HZ LYS 40 -11.084 2.791 -4.222 269 H PHE 41 H PHE 41 -8.943 1.696 1.074 270 HA PHE 41 HA PHE 41 -10.952 0.098 2.488 271 1HB PHE 41 1HB PHE 41 -8.159 0.203 3.381 272 2HB PHE 41 2HB PHE 41 -9.363 0.600 4.617 273 HD1 PHE 41 HD1 PHE 41 -11.435 -0.934 4.764 274 HD2 PHE 41 HD2 PHE 41 -7.768 -2.067 2.841 275 HE1 PHE 41 HE1 PHE 41 -12.081 -3.310 4.946 276 HE2 PHE 41 HE2 PHE 41 -8.413 -4.456 3.022 277 HZ PHE 41 HZ PHE 41 -10.571 -5.081 4.080 278 H ASN 42 H ASN 42 -11.893 1.249 4.278 279 HA ASN 42 HA ASN 42 -11.413 4.205 4.183 280 1HB ASN 42 1HB ASN 42 -13.829 2.610 3.698 281 2HB ASN 42 2HB ASN 42 -14.066 3.901 4.876 282 1HD2 ASN 42 1HD2 ASN 42 -12.898 4.988 1.073 283 2HD2 ASN 42 2HD2 ASN 42 -12.371 3.503 1.705 284 H SER 43 H SER 43 -10.283 2.274 5.981 285 HA SER 43 HA SER 43 -10.774 3.470 8.498 286 1HB SER 43 1HB SER 43 -12.675 1.405 7.710 287 2HB SER 43 2HB SER 43 -11.824 0.976 9.193 288 HG SER 43 HG SER 43 -13.142 3.441 8.667 289 H TYR 44 H TYR 44 -8.536 3.280 8.661 290 HA TYR 44 HA TYR 44 -6.780 1.279 8.052 291 1HB TYR 44 1HB TYR 44 -6.091 3.333 9.197 292 2HB TYR 44 2HB TYR 44 -6.879 2.795 10.679 293 HD1 TYR 44 HD1 TYR 44 -4.419 1.485 8.158 294 HD2 TYR 44 HD2 TYR 44 -5.531 1.802 12.292 295 HE1 TYR 44 HE1 TYR 44 -2.364 0.262 8.801 296 HE2 TYR 44 HE2 TYR 44 -3.473 0.580 12.939 297 HH TYR 44 HH TYR 44 -1.860 -0.933 11.989 298 H GLU 45 H GLU 45 -9.229 1.136 10.552 299 HA GLU 45 HA GLU 45 -8.247 -1.137 11.980 300 1HB GLU 45 1HB GLU 45 -10.980 0.078 11.606 301 2HB GLU 45 2HB GLU 45 -10.781 -1.432 12.496 302 1HG GLU 45 1HG GLU 45 -8.792 0.131 13.577 303 2HG GLU 45 2HG GLU 45 -10.068 1.313 13.282 304 H GLN 46 H GLN 46 -10.399 -0.875 9.142 305 HA GLN 46 HA GLN 46 -10.751 -3.724 8.968 306 1HB GLN 46 1HB GLN 46 -11.354 -1.502 7.016 307 2HB GLN 46 2HB GLN 46 -11.800 -3.191 6.764 308 1HG GLN 46 1HG GLN 46 -12.575 -2.107 9.391 309 2HG GLN 46 2HG GLN 46 -13.393 -1.353 8.021 310 1HE2 GLN 46 1HE2 GLN 46 -15.393 -4.182 7.336 311 2HE2 GLN 46 2HE2 GLN 46 -14.996 -2.584 6.926 312 H ALA 47 H ALA 47 -9.003 -1.310 7.097 313 HA ALA 47 HA ALA 47 -7.724 -2.989 5.273 314 1HB ALA 47 1HB ALA 47 -7.552 -0.514 5.232 315 2HB ALA 47 2HB ALA 47 -6.543 -0.573 6.677 316 3HB ALA 47 3HB ALA 47 -5.957 -1.266 5.162 317 H LYS 48 H LYS 48 -6.589 -1.986 8.484 318 HA LYS 48 HA LYS 48 -4.256 -3.634 8.531 319 1HB LYS 48 1HB LYS 48 -5.176 -1.756 10.201 320 2HB LYS 48 2HB LYS 48 -5.765 -3.174 11.068 321 1HG LYS 48 1HG LYS 48 -2.996 -3.427 10.102 322 2HG LYS 48 2HG LYS 48 -3.224 -2.150 11.298 323 1HD LYS 48 1HD LYS 48 -4.587 -3.968 12.600 324 2HD LYS 48 2HD LYS 48 -3.708 -5.105 11.576 325 1HE LYS 48 1HE LYS 48 -1.768 -4.785 12.699 326 2HE LYS 48 2HE LYS 48 -1.982 -3.033 12.728 327 1HZ LYS 48 1HZ LYS 48 -3.822 -3.636 14.451 328 2HZ LYS 48 2HZ LYS 48 -2.912 -5.055 14.641 329 3HZ LYS 48 3HZ LYS 48 -2.195 -3.542 14.930 330 H SER 49 H SER 49 -7.521 -4.227 9.866 331 HA SER 49 HA SER 49 -7.173 -6.783 10.878 332 1HB SER 49 1HB SER 49 -9.368 -5.179 10.196 333 2HB SER 49 2HB SER 49 -9.606 -6.670 9.290 334 HG SER 49 HG SER 49 -9.916 -6.212 11.911 335 H PHE 50 H PHE 50 -7.563 -5.821 7.483 336 HA PHE 50 HA PHE 50 -7.540 -8.561 6.498 337 1HB PHE 50 1HB PHE 50 -7.940 -5.932 5.404 338 2HB PHE 50 2HB PHE 50 -6.698 -6.757 4.463 339 HD1 PHE 50 HD1 PHE 50 -9.792 -7.928 6.239 340 HD2 PHE 50 HD2 PHE 50 -7.621 -7.696 2.540 341 HE1 PHE 50 HE1 PHE 50 -11.543 -9.287 5.126 342 HE2 PHE 50 HE2 PHE 50 -9.371 -9.056 1.427 343 HZ PHE 50 HZ PHE 50 -11.333 -9.851 2.720 344 H LEU 51 H LEU 51 -5.170 -6.047 7.134 345 HA LEU 51 HA LEU 51 -2.996 -7.059 5.681 346 1HB LEU 51 1HB LEU 51 -3.425 -5.153 7.818 347 2HB LEU 51 2HB LEU 51 -1.936 -6.053 8.077 348 HG LEU 51 HG LEU 51 -1.251 -5.528 5.733 349 1HD1 LEU 51 1HD1 LEU 51 -3.971 -4.370 5.742 350 2HD1 LEU 51 2HD1 LEU 51 -2.729 -3.356 5.003 351 3HD1 LEU 51 3HD1 LEU 51 -3.014 -4.989 4.395 352 1HD2 LEU 51 1HD2 LEU 51 -1.950 -3.148 7.482 353 2HD2 LEU 51 2HD2 LEU 51 -0.476 -4.116 7.586 354 3HD2 LEU 51 3HD2 LEU 51 -0.783 -3.127 6.156 355 H GLY 52 H GLY 52 -2.710 -7.282 9.193 356 1HA GLY 52 1HA GLY 52 -2.516 -10.232 9.006 357 2HA GLY 52 2HA GLY 52 -1.101 -9.349 9.570 Start of MODEL 8 1 H GLY 6 H GLY 6 -7.000 12.109 2.019 2 1HA GLY 6 1HA GLY 6 -8.594 11.158 -0.268 3 2HA GLY 6 2HA GLY 6 -6.991 10.593 0.183 4 H ASN 7 H ASN 7 -6.866 8.634 1.204 5 HA ASN 7 HA ASN 7 -9.004 7.748 2.957 6 1HB ASN 7 1HB ASN 7 -8.894 6.904 0.168 7 2HB ASN 7 2HB ASN 7 -8.916 5.565 1.303 8 1HD2 ASN 7 1HD2 ASN 7 -12.251 7.851 0.817 9 2HD2 ASN 7 2HD2 ASN 7 -10.808 8.230 0.006 10 H PHE 8 H PHE 8 -8.572 5.114 3.100 11 HA PHE 8 HA PHE 8 -5.731 4.959 3.962 12 1HB PHE 8 1HB PHE 8 -8.262 3.581 4.778 13 2HB PHE 8 2HB PHE 8 -6.742 2.709 4.970 14 HD1 PHE 8 HD1 PHE 8 -8.472 5.907 5.819 15 HD2 PHE 8 HD2 PHE 8 -5.276 3.196 6.760 16 HE1 PHE 8 HE1 PHE 8 -7.995 7.187 7.889 17 HE2 PHE 8 HE2 PHE 8 -4.800 4.475 8.831 18 HZ PHE 8 HZ PHE 8 -6.160 6.471 9.395 19 H TYR 9 H TYR 9 -4.404 3.159 3.207 20 HA TYR 9 HA TYR 9 -5.702 1.483 1.116 21 1HB TYR 9 1HB TYR 9 -4.167 3.698 0.425 22 2HB TYR 9 2HB TYR 9 -3.096 2.309 0.190 23 HD1 TYR 9 HD1 TYR 9 -4.693 0.152 -0.588 24 HD2 TYR 9 HD2 TYR 9 -5.184 4.288 -1.622 25 HE1 TYR 9 HE1 TYR 9 -5.924 -0.499 -2.615 26 HE2 TYR 9 HE2 TYR 9 -6.417 3.622 -3.675 27 HH TYR 9 HH TYR 9 -6.336 0.643 -4.977 28 H ALA 10 H ALA 10 -5.307 -0.552 1.864 29 HA ALA 10 HA ALA 10 -2.723 -1.209 3.138 30 1HB ALA 10 1HB ALA 10 -5.136 -2.860 2.305 31 2HB ALA 10 2HB ALA 10 -3.675 -3.586 2.972 32 3HB ALA 10 3HB ALA 10 -4.626 -2.466 3.947 33 H VAL 11 H VAL 11 -1.031 -1.154 1.670 34 HA VAL 11 HA VAL 11 -1.417 -2.662 -0.882 35 HB VAL 11 HB VAL 11 -0.271 0.125 -0.641 36 1HG1 VAL 11 1HG1 VAL 11 0.625 -1.237 -2.486 37 2HG1 VAL 11 2HG1 VAL 11 -1.024 -1.533 -3.048 38 3HG1 VAL 11 3HG1 VAL 11 -0.370 0.106 -3.067 39 1HG2 VAL 11 1HG2 VAL 11 -2.992 -0.892 -1.481 40 2HG2 VAL 11 2HG2 VAL 11 -2.618 0.276 -0.214 41 3HG2 VAL 11 3HG2 VAL 11 -2.398 0.713 -1.908 42 H ARG 12 H ARG 12 0.634 -3.171 -2.012 43 HA ARG 12 HA ARG 12 3.190 -2.565 -0.861 44 1HB ARG 12 1HB ARG 12 1.767 -4.580 0.509 45 2HB ARG 12 2HB ARG 12 3.002 -5.410 -0.432 46 1HG ARG 12 1HG ARG 12 3.707 -2.958 1.169 47 2HG ARG 12 2HG ARG 12 3.650 -4.543 1.940 48 1HD ARG 12 1HD ARG 12 5.364 -5.409 0.556 49 2HD ARG 12 2HD ARG 12 5.205 -4.094 -0.606 50 HE ARG 12 HE ARG 12 6.763 -4.022 1.856 51 1HH1 ARG 12 1HH1 ARG 12 5.016 -2.241 -0.535 52 2HH1 ARG 12 2HH1 ARG 12 5.834 -0.751 -0.207 53 1HH2 ARG 12 1HH2 ARG 12 7.810 -2.074 2.314 54 2HH2 ARG 12 2HH2 ARG 12 7.410 -0.655 1.405 55 H LYS 13 H LYS 13 1.395 -5.139 -2.535 56 HA LYS 13 HA LYS 13 1.761 -6.036 -4.691 57 1HB LYS 13 1HB LYS 13 4.216 -4.278 -4.900 58 2HB LYS 13 2HB LYS 13 3.269 -4.982 -6.208 59 1HG LYS 13 1HG LYS 13 1.565 -3.434 -6.004 60 2HG LYS 13 2HG LYS 13 1.869 -3.169 -4.287 61 1HD LYS 13 1HD LYS 13 2.791 -1.221 -5.059 62 2HD LYS 13 2HD LYS 13 4.201 -2.254 -5.293 63 1HE LYS 13 1HE LYS 13 2.976 -2.751 -7.619 64 2HE LYS 13 2HE LYS 13 2.302 -1.149 -7.315 65 1HZ LYS 13 1HZ LYS 13 5.169 -1.484 -6.900 66 2HZ LYS 13 2HZ LYS 13 4.620 -1.504 -8.508 67 3HZ LYS 13 3HZ LYS 13 4.309 -0.159 -7.518 68 H GLY 14 H GLY 14 2.892 -6.978 -2.140 69 1HA GLY 14 1HA GLY 14 4.866 -8.852 -3.277 70 2HA GLY 14 2HA GLY 14 5.432 -7.864 -1.928 71 H ARG 15 H ARG 15 5.166 -8.791 0.052 72 HA ARG 15 HA ARG 15 3.160 -10.984 0.306 73 1HB ARG 15 1HB ARG 15 5.674 -10.275 1.813 74 2HB ARG 15 2HB ARG 15 4.459 -11.328 2.539 75 1HG ARG 15 1HG ARG 15 5.061 -13.072 1.238 76 2HG ARG 15 2HG ARG 15 5.052 -12.078 -0.219 77 1HD ARG 15 1HD ARG 15 7.284 -11.857 1.795 78 2HD ARG 15 2HD ARG 15 7.317 -13.087 0.531 79 HE ARG 15 HE ARG 15 6.767 -10.519 -0.630 80 1HH1 ARG 15 1HH1 ARG 15 9.194 -10.781 1.511 81 2HH1 ARG 15 2HH1 ARG 15 10.506 -10.720 0.382 82 1HH2 ARG 15 1HH2 ARG 15 8.477 -11.136 -2.399 83 2HH2 ARG 15 2HH2 ARG 15 10.100 -10.920 -1.833 84 H GLU 16 H GLU 16 4.413 -9.148 3.028 85 HA GLU 16 HA GLU 16 1.849 -8.749 4.192 86 1HB GLU 16 1HB GLU 16 4.386 -7.131 4.594 87 2HB GLU 16 2HB GLU 16 2.984 -7.116 5.664 88 1HG GLU 16 1HG GLU 16 3.465 -9.170 6.550 89 2HG GLU 16 2HG GLU 16 4.102 -9.791 5.026 90 H THR 17 H THR 17 1.902 -5.888 4.777 91 HA THR 17 HA THR 17 1.833 -4.469 2.245 92 HB THR 17 HB THR 17 -0.238 -5.225 1.667 93 HG1 THR 17 HG1 THR 17 -1.868 -3.905 2.609 94 1HG2 THR 17 1HG2 THR 17 -0.609 -5.827 4.608 95 2HG2 THR 17 2HG2 THR 17 -1.893 -6.046 3.419 96 3HG2 THR 17 3HG2 THR 17 -0.402 -6.977 3.288 97 H GLY 18 H GLY 18 0.872 -2.219 2.536 98 1HA GLY 18 1HA GLY 18 1.184 -1.319 5.374 99 2HA GLY 18 2HA GLY 18 1.980 -0.456 4.055 100 H ILE 19 H ILE 19 -0.525 -0.080 6.018 101 HA ILE 19 HA ILE 19 -2.537 0.606 4.027 102 HB ILE 19 HB ILE 19 -2.789 1.198 6.951 103 1HG1 ILE 19 1HG1 ILE 19 -2.837 -1.467 5.538 104 2HG1 ILE 19 2HG1 ILE 19 -2.009 -1.034 7.033 105 1HG2 ILE 19 1HG2 ILE 19 -4.696 0.340 4.748 106 2HG2 ILE 19 2HG2 ILE 19 -5.161 0.599 6.429 107 3HG2 ILE 19 3HG2 ILE 19 -4.578 1.950 5.456 108 1HD1 ILE 19 1HD1 ILE 19 -4.735 -0.504 7.497 109 2HD1 ILE 19 2HD1 ILE 19 -4.682 -2.052 6.659 110 3HD1 ILE 19 3HD1 ILE 19 -3.785 -1.833 8.159 111 H TYR 20 H TYR 20 -2.363 2.551 3.013 112 HA TYR 20 HA TYR 20 -0.937 4.778 4.303 113 1HB TYR 20 1HB TYR 20 -2.621 4.926 1.813 114 2HB TYR 20 2HB TYR 20 -1.309 5.992 2.277 115 HD1 TYR 20 HD1 TYR 20 0.851 4.284 3.069 116 HD2 TYR 20 HD2 TYR 20 -1.983 3.726 -0.104 117 HE1 TYR 20 HE1 TYR 20 2.475 2.836 1.876 118 HE2 TYR 20 HE2 TYR 20 -0.363 2.279 -1.300 119 HH TYR 20 HH TYR 20 2.803 1.492 0.135 120 H ASN 21 H ASN 21 -2.312 6.968 3.803 121 HA ASN 21 HA ASN 21 -5.134 6.774 4.494 122 1HB ASN 21 1HB ASN 21 -4.252 6.431 6.661 123 2HB ASN 21 2HB ASN 21 -2.958 7.592 6.379 124 1HD2 ASN 21 1HD2 ASN 21 -6.527 9.556 6.513 125 2HD2 ASN 21 2HD2 ASN 21 -6.210 8.392 5.317 126 H THR 22 H THR 22 -4.382 7.862 2.249 127 HA THR 22 HA THR 22 -4.623 10.733 2.631 128 HB THR 22 HB THR 22 -2.266 9.902 1.002 129 HG1 THR 22 HG1 THR 22 -1.616 8.935 2.790 130 1HG2 THR 22 1HG2 THR 22 -3.429 12.314 2.100 131 2HG2 THR 22 2HG2 THR 22 -1.742 12.147 2.588 132 3HG2 THR 22 3HG2 THR 22 -2.170 12.136 0.875 133 H TRP 23 H TRP 23 -4.574 11.851 0.429 134 HA TRP 23 HA TRP 23 -6.170 10.285 -1.468 135 1HB TRP 23 1HB TRP 23 -6.702 12.663 -1.123 136 2HB TRP 23 2HB TRP 23 -5.067 13.106 -1.612 137 HD1 TRP 23 HD1 TRP 23 -5.392 14.238 -3.892 138 HE1 TRP 23 HE1 TRP 23 -6.479 13.549 -6.128 139 HE3 TRP 23 HE3 TRP 23 -7.611 9.877 -2.471 140 HZ2 TRP 23 HZ2 TRP 23 -8.085 11.419 -7.173 141 HZ3 TRP 23 HZ3 TRP 23 -8.915 8.532 -4.101 142 HH2 TRP 23 HH2 TRP 23 -9.153 9.298 -6.448 143 H ASN 24 H ASN 24 -3.097 12.009 -1.426 144 HA ASN 24 HA ASN 24 -2.142 11.086 -3.926 145 1HB ASN 24 1HB ASN 24 -0.806 12.227 -1.489 146 2HB ASN 24 2HB ASN 24 0.145 11.666 -2.865 147 1HD2 ASN 24 1HD2 ASN 24 -0.454 14.605 -4.694 148 2HD2 ASN 24 2HD2 ASN 24 0.522 13.241 -4.430 149 H GLU 25 H GLU 25 -1.154 10.064 -0.638 150 HA GLU 25 HA GLU 25 0.431 7.881 -1.251 151 1HB GLU 25 1HB GLU 25 -1.710 8.110 0.878 152 2HB GLU 25 2HB GLU 25 -0.504 6.824 0.837 153 1HG GLU 25 1HG GLU 25 -0.095 9.775 1.281 154 2HG GLU 25 2HG GLU 25 0.413 8.428 2.302 155 H CYS 26 H CYS 26 -3.084 8.092 -1.234 156 HA CYS 26 HA CYS 26 -3.610 5.356 -1.861 157 1HB CYS 26 1HB CYS 26 -5.396 6.636 -0.974 158 2HB CYS 26 2HB CYS 26 -5.162 7.916 -2.164 159 HG CYS 26 HG CYS 26 -6.683 6.707 -3.690 160 H LYS 27 H LYS 27 -4.641 7.795 -4.073 161 HA LYS 27 HA LYS 27 -4.395 6.384 -6.422 162 1HB LYS 27 1HB LYS 27 -4.481 9.157 -5.523 163 2HB LYS 27 2HB LYS 27 -3.795 8.960 -7.144 164 1HG LYS 27 1HG LYS 27 -6.056 7.249 -6.998 165 2HG LYS 27 2HG LYS 27 -6.558 8.798 -6.317 166 1HD LYS 27 1HD LYS 27 -6.278 9.921 -8.302 167 2HD LYS 27 2HD LYS 27 -4.946 8.888 -8.819 168 1HE LYS 27 1HE LYS 27 -7.052 7.116 -8.740 169 2HE LYS 27 2HE LYS 27 -7.833 8.597 -9.296 170 1HZ LYS 27 1HZ LYS 27 -6.046 8.789 -10.975 171 2HZ LYS 27 2HZ LYS 27 -5.469 7.265 -10.498 172 3HZ LYS 27 3HZ LYS 27 -7.017 7.414 -11.182 173 H ASN 28 H ASN 28 -1.899 8.559 -5.025 174 HA ASN 28 HA ASN 28 0.065 8.239 -7.007 175 1HB ASN 28 1HB ASN 28 0.199 9.764 -4.990 176 2HB ASN 28 2HB ASN 28 0.649 8.351 -4.036 177 1HD2 ASN 28 1HD2 ASN 28 3.847 9.850 -5.136 178 2HD2 ASN 28 2HD2 ASN 28 2.583 10.266 -4.083 179 H GLN 29 H GLN 29 -0.384 6.241 -4.059 180 HA GLN 29 HA GLN 29 1.667 4.363 -4.818 181 1HB GLN 29 1HB GLN 29 -0.686 4.078 -2.930 182 2HB GLN 29 2HB GLN 29 0.635 2.915 -3.067 183 1HG GLN 29 1HG GLN 29 1.094 5.846 -2.469 184 2HG GLN 29 2HG GLN 29 0.886 4.639 -1.203 185 1HE2 GLN 29 1HE2 GLN 29 4.415 4.854 -3.211 186 2HE2 GLN 29 2HE2 GLN 29 3.122 5.881 -3.604 187 H VAL 30 H VAL 30 -1.597 4.832 -5.810 188 HA VAL 30 HA VAL 30 -1.356 2.566 -7.656 189 HB VAL 30 HB VAL 30 -3.618 1.669 -6.934 190 1HG1 VAL 30 1HG1 VAL 30 -1.443 0.595 -6.362 191 2HG1 VAL 30 2HG1 VAL 30 -1.389 1.556 -4.885 192 3HG1 VAL 30 3HG1 VAL 30 -2.660 0.351 -5.110 193 1HG2 VAL 30 1HG2 VAL 30 -3.691 3.952 -5.401 194 2HG2 VAL 30 2HG2 VAL 30 -4.701 2.532 -5.128 195 3HG2 VAL 30 3HG2 VAL 30 -3.203 2.738 -4.219 196 H ASP 31 H ASP 31 -1.387 4.426 -9.117 197 HA ASP 31 HA ASP 31 -4.154 5.491 -9.530 198 1HB ASP 31 1HB ASP 31 -2.823 7.365 -8.906 199 2HB ASP 31 2HB ASP 31 -1.459 6.816 -9.879 200 H GLY 32 H GLY 32 -4.947 4.333 -11.235 201 1HA GLY 32 1HA GLY 32 -5.067 3.886 -13.600 202 2HA GLY 32 2HA GLY 32 -3.340 4.234 -13.726 203 H TYR 33 H TYR 33 -1.961 2.680 -12.337 204 HA TYR 33 HA TYR 33 -1.112 0.443 -12.648 205 1HB TYR 33 1HB TYR 33 -2.276 -0.892 -10.769 206 2HB TYR 33 2HB TYR 33 -1.455 0.605 -10.332 207 HD1 TYR 33 HD1 TYR 33 -2.880 2.772 -10.354 208 HD2 TYR 33 HD2 TYR 33 -4.557 -1.177 -10.220 209 HE1 TYR 33 HE1 TYR 33 -5.003 3.706 -9.480 210 HE2 TYR 33 HE2 TYR 33 -6.680 -0.246 -9.340 211 HH TYR 33 HH TYR 33 -7.561 2.840 -9.554 212 H GLY 34 H GLY 34 -1.553 -0.658 -14.540 213 1HA GLY 34 1HA GLY 34 -4.058 -1.381 -15.572 214 2HA GLY 34 2HA GLY 34 -2.586 -2.313 -15.857 215 H GLY 35 H GLY 35 -2.351 -2.666 -12.844 216 1HA GLY 35 1HA GLY 35 -4.605 -4.099 -11.851 217 2HA GLY 35 2HA GLY 35 -3.517 -5.247 -12.636 218 H ALA 36 H ALA 36 -3.223 -2.446 -10.431 219 HA ALA 36 HA ALA 36 -0.821 -3.498 -9.184 220 1HB ALA 36 1HB ALA 36 -2.502 -1.104 -8.945 221 2HB ALA 36 2HB ALA 36 -1.872 -1.670 -7.398 222 3HB ALA 36 3HB ALA 36 -0.761 -1.278 -8.717 223 H ILE 37 H ILE 37 -0.650 -4.189 -6.965 224 HA ILE 37 HA ILE 37 -3.034 -5.685 -6.069 225 HB ILE 37 HB ILE 37 -0.386 -6.354 -5.935 226 1HG1 ILE 37 1HG1 ILE 37 -2.295 -7.850 -5.552 227 2HG1 ILE 37 2HG1 ILE 37 -1.118 -8.034 -4.249 228 1HG2 ILE 37 1HG2 ILE 37 -1.122 -5.179 -3.238 229 2HG2 ILE 37 2HG2 ILE 37 0.290 -6.189 -3.555 230 3HG2 ILE 37 3HG2 ILE 37 0.157 -4.598 -4.307 231 1HD1 ILE 37 1HD1 ILE 37 -2.689 -5.973 -3.309 232 2HD1 ILE 37 2HD1 ILE 37 -3.868 -6.978 -4.151 233 3HD1 ILE 37 3HD1 ILE 37 -2.884 -7.668 -2.861 234 H TYR 38 H TYR 38 -4.292 -4.940 -4.384 235 HA TYR 38 HA TYR 38 -3.267 -3.253 -2.335 236 1HB TYR 38 1HB TYR 38 -4.228 -1.137 -2.957 237 2HB TYR 38 2HB TYR 38 -3.133 -1.663 -4.218 238 HD1 TYR 38 HD1 TYR 38 -6.789 -1.931 -3.300 239 HD2 TYR 38 HD2 TYR 38 -3.851 -1.612 -6.421 240 HE1 TYR 38 HE1 TYR 38 -8.594 -1.774 -4.979 241 HE2 TYR 38 HE2 TYR 38 -5.663 -1.464 -8.103 242 HH TYR 38 HH TYR 38 -8.172 -0.691 -8.045 243 H LYS 39 H LYS 39 -4.829 -2.572 -0.828 244 HA LYS 39 HA LYS 39 -7.571 -3.684 -1.189 245 1HB LYS 39 1HB LYS 39 -5.577 -4.172 0.981 246 2HB LYS 39 2HB LYS 39 -7.254 -3.941 1.476 247 1HG LYS 39 1HG LYS 39 -6.973 -6.296 1.102 248 2HG LYS 39 2HG LYS 39 -7.890 -5.675 -0.270 249 1HD LYS 39 1HD LYS 39 -6.295 -6.394 -1.682 250 2HD LYS 39 2HD LYS 39 -5.100 -5.396 -0.853 251 1HE LYS 39 1HE LYS 39 -5.435 -7.493 0.908 252 2HE LYS 39 2HE LYS 39 -5.578 -8.289 -0.660 253 1HZ LYS 39 1HZ LYS 39 -3.485 -6.497 -0.884 254 2HZ LYS 39 2HZ LYS 39 -3.265 -7.274 0.610 255 3HZ LYS 39 3HZ LYS 39 -3.385 -8.191 -0.811 256 H LYS 40 H LYS 40 -8.153 -1.490 -1.744 257 HA LYS 40 HA LYS 40 -7.540 0.811 -0.237 258 1HB LYS 40 1HB LYS 40 -9.136 0.237 -2.440 259 2HB LYS 40 2HB LYS 40 -10.283 0.828 -1.235 260 1HG LYS 40 1HG LYS 40 -7.979 2.465 -1.055 261 2HG LYS 40 2HG LYS 40 -8.382 2.326 -2.771 262 1HD LYS 40 1HD LYS 40 -10.278 3.143 -0.549 263 2HD LYS 40 2HD LYS 40 -9.589 4.216 -1.768 264 1HE LYS 40 1HE LYS 40 -10.650 2.541 -3.475 265 2HE LYS 40 2HE LYS 40 -11.650 2.050 -2.108 266 1HZ LYS 40 1HZ LYS 40 -11.344 4.863 -2.997 267 2HZ LYS 40 2HZ LYS 40 -12.612 3.856 -3.496 268 3HZ LYS 40 3HZ LYS 40 -12.445 4.259 -1.854 269 H PHE 41 H PHE 41 -8.663 1.878 1.478 270 HA PHE 41 HA PHE 41 -10.911 0.486 2.744 271 1HB PHE 41 1HB PHE 41 -8.146 0.203 3.674 272 2HB PHE 41 2HB PHE 41 -9.324 0.632 4.926 273 HD1 PHE 41 HD1 PHE 41 -11.674 -0.624 4.636 274 HD2 PHE 41 HD2 PHE 41 -7.887 -2.080 3.235 275 HE1 PHE 41 HE1 PHE 41 -12.584 -2.918 4.578 276 HE2 PHE 41 HE2 PHE 41 -8.791 -4.388 3.190 277 HZ PHE 41 HZ PHE 41 -11.145 -4.810 3.857 278 H ASN 42 H ASN 42 -11.743 1.613 4.595 279 HA ASN 42 HA ASN 42 -10.897 4.474 4.773 280 1HB ASN 42 1HB ASN 42 -12.938 4.235 3.396 281 2HB ASN 42 2HB ASN 42 -13.710 3.356 4.714 282 1HD2 ASN 42 1HD2 ASN 42 -14.623 6.297 6.440 283 2HD2 ASN 42 2HD2 ASN 42 -14.755 4.609 6.312 284 H SER 43 H SER 43 -10.068 2.365 6.467 285 HA SER 43 HA SER 43 -10.686 3.367 9.037 286 1HB SER 43 1HB SER 43 -12.610 1.453 7.954 287 2HB SER 43 2HB SER 43 -11.885 0.882 9.455 288 HG SER 43 HG SER 43 -12.341 3.264 10.056 289 H TYR 44 H TYR 44 -8.521 3.058 9.407 290 HA TYR 44 HA TYR 44 -6.732 1.128 8.736 291 1HB TYR 44 1HB TYR 44 -6.764 3.099 10.617 292 2HB TYR 44 2HB TYR 44 -6.711 1.667 11.645 293 HD1 TYR 44 HD1 TYR 44 -5.268 -0.053 9.463 294 HD2 TYR 44 HD2 TYR 44 -4.488 3.800 11.186 295 HE1 TYR 44 HE1 TYR 44 -2.849 -0.327 8.977 296 HE2 TYR 44 HE2 TYR 44 -2.071 3.530 10.701 297 HH TYR 44 HH TYR 44 -0.485 1.447 10.374 298 H GLU 45 H GLU 45 -9.431 0.633 10.928 299 HA GLU 45 HA GLU 45 -8.508 -1.853 12.052 300 1HB GLU 45 1HB GLU 45 -11.275 -0.659 11.756 301 2HB GLU 45 2HB GLU 45 -10.955 -2.164 12.618 302 1HG GLU 45 1HG GLU 45 -9.119 -0.065 13.445 303 2HG GLU 45 2HG GLU 45 -10.798 0.420 13.683 304 H GLN 46 H GLN 46 -10.561 -1.115 9.217 305 HA GLN 46 HA GLN 46 -11.036 -3.886 8.643 306 1HB GLN 46 1HB GLN 46 -11.263 -1.466 6.845 307 2HB GLN 46 2HB GLN 46 -11.952 -3.058 6.523 308 1HG GLN 46 1HG GLN 46 -13.271 -2.845 8.647 309 2HG GLN 46 2HG GLN 46 -12.688 -1.186 8.782 310 1HE2 GLN 46 1HE2 GLN 46 -15.517 -2.109 5.969 311 2HE2 GLN 46 2HE2 GLN 46 -14.678 -3.353 6.762 312 H ALA 47 H ALA 47 -9.078 -1.374 7.173 313 HA ALA 47 HA ALA 47 -7.659 -2.934 5.335 314 1HB ALA 47 1HB ALA 47 -6.675 -0.588 6.986 315 2HB ALA 47 2HB ALA 47 -5.868 -1.207 5.542 316 3HB ALA 47 3HB ALA 47 -7.471 -0.481 5.415 317 H LYS 48 H LYS 48 -6.869 -2.174 8.704 318 HA LYS 48 HA LYS 48 -4.484 -3.658 8.948 319 1HB LYS 48 1HB LYS 48 -6.664 -2.950 10.894 320 2HB LYS 48 2HB LYS 48 -5.329 -3.985 11.395 321 1HG LYS 48 1HG LYS 48 -4.434 -1.633 9.899 322 2HG LYS 48 2HG LYS 48 -5.287 -1.215 11.386 323 1HD LYS 48 1HD LYS 48 -3.161 -1.511 12.239 324 2HD LYS 48 2HD LYS 48 -3.759 -3.166 12.373 325 1HE LYS 48 1HE LYS 48 -2.536 -3.901 10.535 326 2HE LYS 48 2HE LYS 48 -2.455 -2.293 9.816 327 1HZ LYS 48 1HZ LYS 48 -1.032 -1.663 11.760 328 2HZ LYS 48 2HZ LYS 48 -0.943 -3.316 12.148 329 3HZ LYS 48 3HZ LYS 48 -0.326 -2.759 10.669 330 H SER 49 H SER 49 -7.683 -4.794 10.066 331 HA SER 49 HA SER 49 -7.099 -7.441 10.529 332 1HB SER 49 1HB SER 49 -9.436 -5.948 10.190 333 2HB SER 49 2HB SER 49 -9.572 -7.249 9.007 334 HG SER 49 HG SER 49 -9.023 -8.691 10.758 335 H PHE 50 H PHE 50 -7.572 -5.918 7.361 336 HA PHE 50 HA PHE 50 -7.421 -8.443 5.922 337 1HB PHE 50 1HB PHE 50 -8.177 -5.845 5.272 338 2HB PHE 50 2HB PHE 50 -6.670 -6.078 4.384 339 HD1 PHE 50 HD1 PHE 50 -6.852 -9.089 4.045 340 HD2 PHE 50 HD2 PHE 50 -9.743 -5.970 3.454 341 HE1 PHE 50 HE1 PHE 50 -8.044 -10.508 2.398 342 HE2 PHE 50 HE2 PHE 50 -10.937 -7.388 1.806 343 HZ PHE 50 HZ PHE 50 -10.086 -9.657 1.278 344 H LEU 51 H LEU 51 -5.136 -5.943 6.912 345 HA LEU 51 HA LEU 51 -2.954 -6.536 5.329 346 1HB LEU 51 1HB LEU 51 -3.094 -5.809 8.256 347 2HB LEU 51 2HB LEU 51 -1.609 -5.826 7.332 348 HG LEU 51 HG LEU 51 -3.843 -3.884 7.269 349 1HD1 LEU 51 1HD1 LEU 51 -0.939 -3.965 7.422 350 2HD1 LEU 51 2HD1 LEU 51 -1.497 -2.786 6.233 351 3HD1 LEU 51 3HD1 LEU 51 -2.049 -2.684 7.907 352 1HD2 LEU 51 1HD2 LEU 51 -2.433 -4.840 4.772 353 2HD2 LEU 51 2HD2 LEU 51 -4.164 -4.623 5.030 354 3HD2 LEU 51 3HD2 LEU 51 -3.108 -3.216 4.900 355 H GLY 52 H GLY 52 -2.407 -7.562 8.616 356 1HA GLY 52 1HA GLY 52 -2.270 -10.400 7.761 357 2HA GLY 52 2HA GLY 52 -0.820 -9.650 8.425 Start of MODEL 9 1 H GLY 6 H GLY 6 -8.086 13.145 1.863 2 1HA GLY 6 1HA GLY 6 -7.517 10.969 0.270 3 2HA GLY 6 2HA GLY 6 -6.609 11.297 1.748 4 H ASN 7 H ASN 7 -6.927 8.649 1.036 5 HA ASN 7 HA ASN 7 -8.862 7.743 3.080 6 1HB ASN 7 1HB ASN 7 -8.767 7.069 0.240 7 2HB ASN 7 2HB ASN 7 -8.829 5.673 1.301 8 1HD2 ASN 7 1HD2 ASN 7 -11.903 8.303 1.978 9 2HD2 ASN 7 2HD2 ASN 7 -10.303 8.869 1.957 10 H PHE 8 H PHE 8 -8.461 5.115 3.059 11 HA PHE 8 HA PHE 8 -5.602 4.852 3.848 12 1HB PHE 8 1HB PHE 8 -8.109 3.334 4.593 13 2HB PHE 8 2HB PHE 8 -6.504 2.692 4.936 14 HD1 PHE 8 HD1 PHE 8 -8.760 5.594 5.533 15 HD2 PHE 8 HD2 PHE 8 -5.218 3.500 6.761 16 HE1 PHE 8 HE1 PHE 8 -8.630 7.008 7.566 17 HE2 PHE 8 HE2 PHE 8 -5.087 4.911 8.795 18 HZ PHE 8 HZ PHE 8 -6.794 6.665 9.198 19 H TYR 9 H TYR 9 -4.428 2.895 3.074 20 HA TYR 9 HA TYR 9 -5.855 1.427 0.926 21 1HB TYR 9 1HB TYR 9 -4.243 3.573 0.259 22 2HB TYR 9 2HB TYR 9 -3.216 2.160 -0.015 23 HD1 TYR 9 HD1 TYR 9 -4.967 0.066 -0.784 24 HD2 TYR 9 HD2 TYR 9 -5.183 4.231 -1.797 25 HE1 TYR 9 HE1 TYR 9 -6.267 -0.497 -2.801 26 HE2 TYR 9 HE2 TYR 9 -6.475 3.666 -3.840 27 HH TYR 9 HH TYR 9 -8.038 0.904 -4.311 28 H ALA 10 H ALA 10 -5.586 -0.641 1.634 29 HA ALA 10 HA ALA 10 -3.027 -1.527 2.794 30 1HB ALA 10 1HB ALA 10 -5.603 -2.447 3.032 31 2HB ALA 10 2HB ALA 10 -4.964 -3.551 1.814 32 3HB ALA 10 3HB ALA 10 -4.183 -3.423 3.389 33 H VAL 11 H VAL 11 -1.546 -1.146 1.124 34 HA VAL 11 HA VAL 11 -2.089 -2.510 -1.480 35 HB VAL 11 HB VAL 11 -0.162 -0.255 -0.918 36 1HG1 VAL 11 1HG1 VAL 11 -1.325 -1.537 -3.373 37 2HG1 VAL 11 2HG1 VAL 11 -0.648 0.091 -3.414 38 3HG1 VAL 11 3HG1 VAL 11 0.373 -1.287 -2.971 39 1HG2 VAL 11 1HG2 VAL 11 -3.038 -0.141 -1.873 40 2HG2 VAL 11 2HG2 VAL 11 -2.443 0.437 -0.317 41 3HG2 VAL 11 3HG2 VAL 11 -1.931 1.231 -1.806 42 H ARG 12 H ARG 12 -0.079 -3.160 -2.687 43 HA ARG 12 HA ARG 12 1.914 -4.343 -2.849 44 1HB ARG 12 1HB ARG 12 2.446 -2.314 -1.107 45 2HB ARG 12 2HB ARG 12 2.836 -3.720 -0.117 46 1HG ARG 12 1HG ARG 12 3.999 -4.440 -2.468 47 2HG ARG 12 2HG ARG 12 4.183 -2.687 -2.544 48 1HD ARG 12 1HD ARG 12 5.845 -2.757 -1.031 49 2HD ARG 12 2HD ARG 12 4.803 -3.600 0.116 50 HE ARG 12 HE ARG 12 5.941 -5.579 -0.450 51 1HH1 ARG 12 1HH1 ARG 12 7.164 -3.078 -2.333 52 2HH1 ARG 12 2HH1 ARG 12 7.786 -4.093 -3.589 53 1HH2 ARG 12 1HH2 ARG 12 6.320 -6.981 -2.346 54 2HH2 ARG 12 2HH2 ARG 12 7.310 -6.305 -3.597 55 H LYS 13 H LYS 13 0.221 -6.159 -2.544 56 HA LYS 13 HA LYS 13 0.124 -7.502 0.023 57 1HB LYS 13 1HB LYS 13 -1.230 -9.104 -1.032 58 2HB LYS 13 2HB LYS 13 -1.547 -7.654 -1.980 59 1HG LYS 13 1HG LYS 13 0.142 -8.381 -3.643 60 2HG LYS 13 2HG LYS 13 0.420 -9.847 -2.703 61 1HD LYS 13 1HD LYS 13 -2.365 -9.138 -3.589 62 2HD LYS 13 2HD LYS 13 -1.259 -9.935 -4.708 63 1HE LYS 13 1HE LYS 13 -1.408 -11.918 -3.617 64 2HE LYS 13 2HE LYS 13 -1.308 -11.152 -2.031 65 1HZ LYS 13 1HZ LYS 13 -3.676 -10.363 -2.555 66 2HZ LYS 13 2HZ LYS 13 -3.678 -11.590 -3.730 67 3HZ LYS 13 3HZ LYS 13 -3.453 -11.979 -2.091 68 H GLY 14 H GLY 14 2.539 -7.248 -2.301 69 1HA GLY 14 1HA GLY 14 3.673 -9.798 -2.516 70 2HA GLY 14 2HA GLY 14 4.628 -8.317 -2.450 71 H ARG 15 H ARG 15 5.081 -7.457 -0.219 72 HA ARG 15 HA ARG 15 5.194 -9.677 1.785 73 1HB ARG 15 1HB ARG 15 7.363 -8.337 0.522 74 2HB ARG 15 2HB ARG 15 7.322 -7.796 2.201 75 1HG ARG 15 1HG ARG 15 7.327 -10.684 1.272 76 2HG ARG 15 2HG ARG 15 8.693 -9.828 1.988 77 1HD ARG 15 1HD ARG 15 7.050 -9.357 3.962 78 2HD ARG 15 2HD ARG 15 6.125 -10.700 3.290 79 HE ARG 15 HE ARG 15 8.726 -11.672 3.468 80 1HH1 ARG 15 1HH1 ARG 15 5.957 -11.660 5.263 81 2HH1 ARG 15 2HH1 ARG 15 6.713 -11.876 6.806 82 1HH2 ARG 15 1HH2 ARG 15 9.922 -11.343 5.607 83 2HH2 ARG 15 2HH2 ARG 15 8.957 -11.697 7.001 84 H GLU 16 H GLU 16 3.733 -9.067 3.321 85 HA GLU 16 HA GLU 16 2.642 -7.742 4.917 86 1HB GLU 16 1HB GLU 16 5.136 -7.557 5.592 87 2HB GLU 16 2HB GLU 16 5.068 -5.950 4.866 88 1HG GLU 16 1HG GLU 16 2.780 -6.003 6.414 89 2HG GLU 16 2HG GLU 16 3.934 -6.900 7.402 90 H THR 17 H THR 17 0.997 -6.876 3.617 91 HA THR 17 HA THR 17 1.276 -4.785 1.720 92 HB THR 17 HB THR 17 -1.095 -5.428 3.497 93 HG1 THR 17 HG1 THR 17 -0.964 -6.194 0.841 94 1HG2 THR 17 1HG2 THR 17 -0.849 -3.194 2.021 95 2HG2 THR 17 2HG2 THR 17 -1.396 -4.300 0.762 96 3HG2 THR 17 3HG2 THR 17 -2.384 -4.043 2.200 97 H GLY 18 H GLY 18 0.965 -2.496 1.926 98 1HA GLY 18 1HA GLY 18 1.373 -1.494 4.717 99 2HA GLY 18 2HA GLY 18 2.014 -0.692 3.281 100 H ILE 19 H ILE 19 -0.387 -0.453 5.517 101 HA ILE 19 HA ILE 19 -2.509 0.364 3.713 102 HB ILE 19 HB ILE 19 -2.532 0.889 6.660 103 1HG1 ILE 19 1HG1 ILE 19 -2.651 -1.741 5.198 104 2HG1 ILE 19 2HG1 ILE 19 -1.794 -1.343 6.685 105 1HG2 ILE 19 1HG2 ILE 19 -4.389 1.667 5.180 106 2HG2 ILE 19 2HG2 ILE 19 -4.651 -0.001 4.673 107 3HG2 ILE 19 3HG2 ILE 19 -4.928 0.464 6.352 108 1HD1 ILE 19 1HD1 ILE 19 -4.495 -0.854 7.249 109 2HD1 ILE 19 2HD1 ILE 19 -4.476 -2.356 6.327 110 3HD1 ILE 19 3HD1 ILE 19 -3.531 -2.220 7.809 111 H TYR 20 H TYR 20 -2.328 2.312 2.716 112 HA TYR 20 HA TYR 20 -0.788 4.492 3.948 113 1HB TYR 20 1HB TYR 20 -2.600 4.592 1.545 114 2HB TYR 20 2HB TYR 20 -1.369 5.768 1.963 115 HD1 TYR 20 HD1 TYR 20 0.951 4.279 2.699 116 HD2 TYR 20 HD2 TYR 20 -1.908 3.398 -0.381 117 HE1 TYR 20 HE1 TYR 20 2.666 2.963 1.485 118 HE2 TYR 20 HE2 TYR 20 -0.195 2.079 -1.596 119 HH TYR 20 HH TYR 20 1.879 1.286 -1.565 120 H ASN 21 H ASN 21 -2.105 6.720 3.674 121 HA ASN 21 HA ASN 21 -4.900 6.546 4.476 122 1HB ASN 21 1HB ASN 21 -3.928 6.012 6.553 123 2HB ASN 21 2HB ASN 21 -2.620 7.165 6.308 124 1HD2 ASN 21 1HD2 ASN 21 -4.404 9.840 7.768 125 2HD2 ASN 21 2HD2 ASN 21 -2.923 9.246 7.191 126 H THR 22 H THR 22 -4.230 7.769 2.300 127 HA THR 22 HA THR 22 -4.408 10.610 2.881 128 HB THR 22 HB THR 22 -2.188 9.859 1.034 129 HG1 THR 22 HG1 THR 22 -2.027 9.892 3.867 130 1HG2 THR 22 1HG2 THR 22 -3.126 12.182 2.575 131 2HG2 THR 22 2HG2 THR 22 -1.379 11.951 2.580 132 3HG2 THR 22 3HG2 THR 22 -2.242 12.117 1.047 133 H TRP 23 H TRP 23 -4.668 11.848 0.789 134 HA TRP 23 HA TRP 23 -6.348 10.314 -1.050 135 1HB TRP 23 1HB TRP 23 -6.952 12.632 -0.606 136 2HB TRP 23 2HB TRP 23 -5.353 13.174 -1.114 137 HD1 TRP 23 HD1 TRP 23 -5.739 14.376 -3.353 138 HE1 TRP 23 HE1 TRP 23 -6.870 13.739 -5.584 139 HE3 TRP 23 HE3 TRP 23 -7.839 9.936 -2.020 140 HZ2 TRP 23 HZ2 TRP 23 -8.459 11.607 -6.658 141 HZ3 TRP 23 HZ3 TRP 23 -9.159 8.616 -3.654 142 HH2 TRP 23 HH2 TRP 23 -9.473 9.448 -5.970 143 H ASN 24 H ASN 24 -3.287 12.055 -1.141 144 HA ASN 24 HA ASN 24 -2.560 11.311 -3.784 145 1HB ASN 24 1HB ASN 24 -0.872 12.176 -1.429 146 2HB ASN 24 2HB ASN 24 -0.256 11.997 -3.073 147 1HD2 ASN 24 1HD2 ASN 24 -2.605 14.701 -4.179 148 2HD2 ASN 24 2HD2 ASN 24 -2.421 13.057 -4.561 149 H GLU 25 H GLU 25 -1.308 10.113 -0.648 150 HA GLU 25 HA GLU 25 0.270 8.002 -1.492 151 1HB GLU 25 1HB GLU 25 -1.732 8.080 0.780 152 2HB GLU 25 2HB GLU 25 -0.547 6.791 0.580 153 1HG GLU 25 1HG GLU 25 -0.011 9.730 1.058 154 2HG GLU 25 2HG GLU 25 0.398 8.377 2.114 155 H CYS 26 H CYS 26 -3.243 8.172 -1.347 156 HA CYS 26 HA CYS 26 -3.764 5.454 -2.053 157 1HB CYS 26 1HB CYS 26 -5.536 6.728 -1.104 158 2HB CYS 26 2HB CYS 26 -5.351 8.006 -2.307 159 HG CYS 26 HG CYS 26 -7.201 5.760 -2.663 160 H LYS 27 H LYS 27 -4.867 7.917 -4.201 161 HA LYS 27 HA LYS 27 -4.560 6.561 -6.584 162 1HB LYS 27 1HB LYS 27 -4.766 9.308 -5.614 163 2HB LYS 27 2HB LYS 27 -4.085 9.180 -7.244 164 1HG LYS 27 1HG LYS 27 -6.598 7.697 -6.452 165 2HG LYS 27 2HG LYS 27 -6.663 9.357 -7.046 166 1HD LYS 27 1HD LYS 27 -5.835 8.764 -9.166 167 2HD LYS 27 2HD LYS 27 -5.162 7.243 -8.579 168 1HE LYS 27 1HE LYS 27 -8.094 7.919 -8.932 169 2HE LYS 27 2HE LYS 27 -7.163 6.733 -9.845 170 1HZ LYS 27 1HZ LYS 27 -6.719 5.698 -7.562 171 2HZ LYS 27 2HZ LYS 27 -8.044 6.620 -7.033 172 3HZ LYS 27 3HZ LYS 27 -8.251 5.468 -8.260 173 H ASN 28 H ASN 28 -2.183 8.831 -5.129 174 HA ASN 28 HA ASN 28 -0.173 8.673 -7.063 175 1HB ASN 28 1HB ASN 28 -0.102 10.074 -4.968 176 2HB ASN 28 2HB ASN 28 0.339 8.617 -4.076 177 1HD2 ASN 28 1HD2 ASN 28 2.562 8.534 -3.760 178 2HD2 ASN 28 2HD2 ASN 28 3.729 9.046 -4.880 179 H GLN 29 H GLN 29 -0.678 6.429 -4.308 180 HA GLN 29 HA GLN 29 1.485 4.687 -5.064 181 1HB GLN 29 1HB GLN 29 -0.995 4.249 -3.383 182 2HB GLN 29 2HB GLN 29 0.243 3.012 -3.609 183 1HG GLN 29 1HG GLN 29 1.096 5.753 -2.760 184 2HG GLN 29 2HG GLN 29 0.370 4.686 -1.559 185 1HE2 GLN 29 1HE2 GLN 29 4.057 4.037 -1.595 186 2HE2 GLN 29 2HE2 GLN 29 3.083 5.389 -1.269 187 H VAL 30 H VAL 30 -1.838 5.016 -6.109 188 HA VAL 30 HA VAL 30 -1.298 3.083 -8.257 189 HB VAL 30 HB VAL 30 -3.420 1.818 -7.750 190 1HG1 VAL 30 1HG1 VAL 30 -1.209 1.769 -5.671 191 2HG1 VAL 30 2HG1 VAL 30 -2.373 0.471 -5.940 192 3HG1 VAL 30 3HG1 VAL 30 -1.213 0.889 -7.200 193 1HG2 VAL 30 1HG2 VAL 30 -4.203 3.720 -6.171 194 2HG2 VAL 30 2HG2 VAL 30 -4.489 2.059 -5.653 195 3HG2 VAL 30 3HG2 VAL 30 -3.142 2.975 -4.976 196 H ASP 31 H ASP 31 -1.512 5.146 -9.421 197 HA ASP 31 HA ASP 31 -4.378 5.927 -9.779 198 1HB ASP 31 1HB ASP 31 -3.216 7.820 -8.872 199 2HB ASP 31 2HB ASP 31 -1.849 7.580 -9.962 200 H GLY 32 H GLY 32 -4.031 3.910 -11.286 201 1HA GLY 32 1HA GLY 32 -4.489 3.992 -13.796 202 2HA GLY 32 2HA GLY 32 -2.955 4.860 -13.909 203 H TYR 33 H TYR 33 -3.568 2.127 -11.766 204 HA TYR 33 HA TYR 33 -1.551 0.607 -13.299 205 1HB TYR 33 1HB TYR 33 -2.207 0.522 -10.348 206 2HB TYR 33 2HB TYR 33 -1.044 -0.539 -11.144 207 HD1 TYR 33 HD1 TYR 33 -1.840 3.138 -11.094 208 HD2 TYR 33 HD2 TYR 33 1.176 0.086 -10.938 209 HE1 TYR 33 HE1 TYR 33 -0.096 4.878 -10.881 210 HE2 TYR 33 HE2 TYR 33 2.924 1.827 -10.715 211 HH TYR 33 HH TYR 33 2.610 4.862 -11.512 212 H GLY 34 H GLY 34 -2.856 -0.672 -14.605 213 1HA GLY 34 1HA GLY 34 -5.286 -1.913 -13.596 214 2HA GLY 34 2HA GLY 34 -4.533 -2.235 -15.158 215 H GLY 35 H GLY 35 -1.963 -2.642 -13.406 216 1HA GLY 35 1HA GLY 35 -2.557 -5.516 -12.843 217 2HA GLY 35 2HA GLY 35 -0.967 -4.898 -13.293 218 H ALA 36 H ALA 36 -1.412 -2.527 -11.447 219 HA ALA 36 HA ALA 36 0.041 -3.355 -9.218 220 1HB ALA 36 1HB ALA 36 -2.000 -1.174 -9.563 221 2HB ALA 36 2HB ALA 36 -1.284 -1.476 -7.981 222 3HB ALA 36 3HB ALA 36 -0.253 -1.027 -9.347 223 H ILE 37 H ILE 37 -0.540 -3.967 -7.076 224 HA ILE 37 HA ILE 37 -3.259 -5.179 -6.899 225 HB ILE 37 HB ILE 37 -0.910 -6.491 -6.516 226 1HG1 ILE 37 1HG1 ILE 37 -3.120 -7.527 -6.552 227 2HG1 ILE 37 2HG1 ILE 37 -2.257 -8.069 -5.110 228 1HG2 ILE 37 1HG2 ILE 37 -1.717 -5.377 -3.810 229 2HG2 ILE 37 2HG2 ILE 37 -0.607 -6.731 -4.048 230 3HG2 ILE 37 3HG2 ILE 37 -0.175 -5.125 -4.637 231 1HD1 ILE 37 1HD1 ILE 37 -3.420 -5.841 -4.114 232 2HD1 ILE 37 2HD1 ILE 37 -4.615 -6.268 -5.338 233 3HD1 ILE 37 3HD1 ILE 37 -4.202 -7.423 -4.071 234 H TYR 38 H TYR 38 -4.577 -4.372 -5.275 235 HA TYR 38 HA TYR 38 -3.532 -3.151 -2.923 236 1HB TYR 38 1HB TYR 38 -4.064 -0.816 -3.440 237 2HB TYR 38 2HB TYR 38 -2.780 -1.439 -4.449 238 HD1 TYR 38 HD1 TYR 38 -6.504 -0.956 -4.448 239 HD2 TYR 38 HD2 TYR 38 -2.910 -1.276 -6.772 240 HE1 TYR 38 HE1 TYR 38 -7.774 -0.351 -6.475 241 HE2 TYR 38 HE2 TYR 38 -4.185 -0.679 -8.814 242 HH TYR 38 HH TYR 38 -7.701 -0.319 -8.745 243 H LYS 39 H LYS 39 -5.076 -2.894 -1.413 244 HA LYS 39 HA LYS 39 -7.927 -3.111 -2.293 245 1HB LYS 39 1HB LYS 39 -6.376 -4.599 -0.310 246 2HB LYS 39 2HB LYS 39 -7.813 -3.860 0.397 247 1HG LYS 39 1HG LYS 39 -8.586 -5.947 -0.398 248 2HG LYS 39 2HG LYS 39 -9.070 -4.809 -1.656 249 1HD LYS 39 1HD LYS 39 -6.525 -5.485 -2.453 250 2HD LYS 39 2HD LYS 39 -7.109 -7.002 -1.767 251 1HE LYS 39 1HE LYS 39 -8.399 -5.364 -3.963 252 2HE LYS 39 2HE LYS 39 -7.742 -6.995 -4.089 253 1HZ LYS 39 1HZ LYS 39 -9.483 -7.358 -2.137 254 2HZ LYS 39 2HZ LYS 39 -10.264 -6.090 -2.949 255 3HZ LYS 39 3HZ LYS 39 -9.898 -7.528 -3.777 256 H LYS 40 H LYS 40 -8.590 -0.987 -2.211 257 HA LYS 40 HA LYS 40 -7.558 1.016 -0.511 258 1HB LYS 40 1HB LYS 40 -9.712 0.772 -2.390 259 2HB LYS 40 2HB LYS 40 -10.307 1.592 -0.944 260 1HG LYS 40 1HG LYS 40 -7.764 2.670 -1.379 261 2HG LYS 40 2HG LYS 40 -8.493 2.572 -2.988 262 1HD LYS 40 1HD LYS 40 -9.951 3.730 -0.601 263 2HD LYS 40 2HD LYS 40 -8.967 4.718 -1.682 264 1HE LYS 40 1HE LYS 40 -10.518 4.657 -3.337 265 2HE LYS 40 2HE LYS 40 -10.848 2.942 -3.084 266 1HZ LYS 40 1HZ LYS 40 -11.765 4.378 -0.856 267 2HZ LYS 40 2HZ LYS 40 -12.374 5.125 -2.255 268 3HZ LYS 40 3HZ LYS 40 -12.670 3.478 -1.978 269 H PHE 41 H PHE 41 -8.724 2.092 1.305 270 HA PHE 41 HA PHE 41 -10.609 0.450 2.837 271 1HB PHE 41 1HB PHE 41 -7.730 0.442 3.354 272 2HB PHE 41 2HB PHE 41 -8.733 0.796 4.772 273 HD1 PHE 41 HD1 PHE 41 -10.979 -0.657 4.858 274 HD2 PHE 41 HD2 PHE 41 -7.348 -1.829 2.895 275 HE1 PHE 41 HE1 PHE 41 -11.691 -3.020 4.965 276 HE2 PHE 41 HE2 PHE 41 -8.053 -4.206 3.012 277 HZ PHE 41 HZ PHE 41 -10.227 -4.804 4.048 278 H ASN 42 H ASN 42 -11.304 1.559 4.816 279 HA ASN 42 HA ASN 42 -10.632 4.463 4.868 280 1HB ASN 42 1HB ASN 42 -12.696 4.225 3.606 281 2HB ASN 42 2HB ASN 42 -13.369 3.185 4.858 282 1HD2 ASN 42 1HD2 ASN 42 -14.853 6.208 6.056 283 2HD2 ASN 42 2HD2 ASN 42 -15.145 4.760 5.221 284 H SER 43 H SER 43 -9.713 2.311 6.538 285 HA SER 43 HA SER 43 -10.059 3.350 9.124 286 1HB SER 43 1HB SER 43 -12.277 2.752 9.391 287 2HB SER 43 2HB SER 43 -12.160 1.420 8.241 288 HG SER 43 HG SER 43 -11.429 0.136 9.789 289 H TYR 44 H TYR 44 -7.907 2.759 9.332 290 HA TYR 44 HA TYR 44 -6.455 0.610 8.549 291 1HB TYR 44 1HB TYR 44 -6.182 2.498 10.583 292 2HB TYR 44 2HB TYR 44 -6.045 0.949 11.416 293 HD1 TYR 44 HD1 TYR 44 -4.683 -0.865 9.796 294 HD2 TYR 44 HD2 TYR 44 -4.135 3.394 9.949 295 HE1 TYR 44 HE1 TYR 44 -2.375 -1.130 8.931 296 HE2 TYR 44 HE2 TYR 44 -1.827 3.128 9.080 297 HH TYR 44 HH TYR 44 -0.133 1.547 8.819 298 H GLU 45 H GLU 45 -8.763 0.516 11.255 299 HA GLU 45 HA GLU 45 -8.281 -2.044 12.251 300 1HB GLU 45 1HB GLU 45 -10.619 -0.261 12.110 301 2HB GLU 45 2HB GLU 45 -11.034 -1.970 12.238 302 1HG GLU 45 1HG GLU 45 -9.443 -2.147 14.174 303 2HG GLU 45 2HG GLU 45 -9.232 -0.398 14.098 304 H GLN 46 H GLN 46 -10.229 -1.227 9.366 305 HA GLN 46 HA GLN 46 -10.731 -4.011 8.818 306 1HB GLN 46 1HB GLN 46 -11.118 -1.588 7.059 307 2HB GLN 46 2HB GLN 46 -11.811 -3.188 6.784 308 1HG GLN 46 1HG GLN 46 -12.516 -2.548 9.420 309 2HG GLN 46 2HG GLN 46 -12.762 -1.056 8.515 310 1HE2 GLN 46 1HE2 GLN 46 -14.931 -3.130 6.166 311 2HE2 GLN 46 2HE2 GLN 46 -13.387 -2.453 5.965 312 H ALA 47 H ALA 47 -8.819 -1.457 7.332 313 HA ALA 47 HA ALA 47 -7.515 -2.951 5.363 314 1HB ALA 47 1HB ALA 47 -7.273 -0.497 5.621 315 2HB ALA 47 2HB ALA 47 -6.339 -0.755 7.093 316 3HB ALA 47 3HB ALA 47 -5.697 -1.283 5.535 317 H LYS 48 H LYS 48 -6.519 -2.397 8.728 318 HA LYS 48 HA LYS 48 -4.225 -4.082 8.728 319 1HB LYS 48 1HB LYS 48 -5.603 -2.579 10.644 320 2HB LYS 48 2HB LYS 48 -5.698 -4.239 11.229 321 1HG LYS 48 1HG LYS 48 -3.509 -4.266 11.762 322 2HG LYS 48 2HG LYS 48 -3.051 -3.607 10.192 323 1HD LYS 48 1HD LYS 48 -2.644 -1.621 11.158 324 2HD LYS 48 2HD LYS 48 -4.340 -1.522 11.634 325 1HE LYS 48 1HE LYS 48 -2.204 -2.987 13.209 326 2HE LYS 48 2HE LYS 48 -2.777 -1.362 13.581 327 1HZ LYS 48 1HZ LYS 48 -4.979 -3.086 13.250 328 2HZ LYS 48 2HZ LYS 48 -3.899 -3.777 14.365 329 3HZ LYS 48 3HZ LYS 48 -4.507 -2.218 14.632 330 H SER 49 H SER 49 -7.584 -4.791 9.706 331 HA SER 49 HA SER 49 -7.416 -7.461 10.364 332 1HB SER 49 1HB SER 49 -9.639 -7.058 10.422 333 2HB SER 49 2HB SER 49 -9.462 -5.685 9.334 334 HG SER 49 HG SER 49 -10.764 -7.493 8.542 335 H PHE 50 H PHE 50 -7.440 -6.059 7.102 336 HA PHE 50 HA PHE 50 -7.236 -8.653 5.781 337 1HB PHE 50 1HB PHE 50 -8.221 -6.749 4.587 338 2HB PHE 50 2HB PHE 50 -6.723 -5.836 4.769 339 HD1 PHE 50 HD1 PHE 50 -8.320 -8.724 3.099 340 HD2 PHE 50 HD2 PHE 50 -4.775 -6.320 3.421 341 HE1 PHE 50 HE1 PHE 50 -7.427 -9.765 1.030 342 HE2 PHE 50 HE2 PHE 50 -3.883 -7.356 1.353 343 HZ PHE 50 HZ PHE 50 -5.208 -9.080 0.159 344 H LEU 51 H LEU 51 -5.038 -6.135 6.887 345 HA LEU 51 HA LEU 51 -2.700 -7.206 5.639 346 1HB LEU 51 1HB LEU 51 -3.377 -5.024 7.429 347 2HB LEU 51 2HB LEU 51 -1.866 -5.794 7.895 348 HG LEU 51 HG LEU 51 -1.042 -5.543 5.570 349 1HD1 LEU 51 1HD1 LEU 51 -3.813 -4.440 5.243 350 2HD1 LEU 51 2HD1 LEU 51 -2.509 -3.803 4.237 351 3HD1 LEU 51 3HD1 LEU 51 -2.911 -5.521 4.179 352 1HD2 LEU 51 1HD2 LEU 51 -1.966 -3.163 7.161 353 2HD2 LEU 51 2HD2 LEU 51 -0.325 -3.764 6.915 354 3HD2 LEU 51 3HD2 LEU 51 -1.158 -2.916 5.611 355 H GLY 52 H GLY 52 -3.081 -6.867 9.144 356 1HA GLY 52 1HA GLY 52 -1.370 -9.005 9.824 357 2HA GLY 52 2HA GLY 52 -2.625 -8.366 10.888 Start of MODEL 10 1 H GLY 6 H GLY 6 -7.288 12.342 0.510 2 1HA GLY 6 1HA GLY 6 -6.375 10.817 2.041 3 2HA GLY 6 2HA GLY 6 -7.559 11.525 3.130 4 H ASN 7 H ASN 7 -6.730 8.708 1.296 5 HA ASN 7 HA ASN 7 -9.180 7.393 2.287 6 1HB ASN 7 1HB ASN 7 -7.623 6.571 -0.149 7 2HB ASN 7 2HB ASN 7 -9.171 5.957 0.375 8 1HD2 ASN 7 1HD2 ASN 7 -9.160 9.087 -2.075 9 2HD2 ASN 7 2HD2 ASN 7 -7.848 8.031 -1.859 10 H PHE 8 H PHE 8 -8.845 5.065 2.767 11 HA PHE 8 HA PHE 8 -6.072 4.613 3.776 12 1HB PHE 8 1HB PHE 8 -8.789 3.626 4.588 13 2HB PHE 8 2HB PHE 8 -7.384 2.614 4.926 14 HD1 PHE 8 HD1 PHE 8 -8.818 6.015 5.435 15 HD2 PHE 8 HD2 PHE 8 -5.882 3.142 6.692 16 HE1 PHE 8 HE1 PHE 8 -8.264 7.437 7.392 17 HE2 PHE 8 HE2 PHE 8 -5.328 4.563 8.648 18 HZ PHE 8 HZ PHE 8 -6.520 6.710 8.997 19 H TYR 9 H TYR 9 -4.909 2.769 3.031 20 HA TYR 9 HA TYR 9 -6.390 1.059 1.091 21 1HB TYR 9 1HB TYR 9 -4.592 3.040 0.297 22 2HB TYR 9 2HB TYR 9 -3.711 1.515 0.142 23 HD1 TYR 9 HD1 TYR 9 -5.411 -0.487 -0.620 24 HD2 TYR 9 HD2 TYR 9 -5.701 3.666 -1.669 25 HE1 TYR 9 HE1 TYR 9 -6.759 -1.085 -2.600 26 HE2 TYR 9 HE2 TYR 9 -7.043 3.069 -3.668 27 HH TYR 9 HH TYR 9 -7.517 1.237 -5.079 28 H ALA 10 H ALA 10 -6.213 -0.959 1.892 29 HA ALA 10 HA ALA 10 -3.804 -1.792 3.373 30 1HB ALA 10 1HB ALA 10 -6.092 -2.679 3.941 31 2HB ALA 10 2HB ALA 10 -6.133 -3.466 2.361 32 3HB ALA 10 3HB ALA 10 -4.937 -3.956 3.560 33 H VAL 11 H VAL 11 -2.218 -1.485 1.744 34 HA VAL 11 HA VAL 11 -2.573 -3.054 -0.756 35 HB VAL 11 HB VAL 11 -0.442 -1.015 -0.141 36 1HG1 VAL 11 1HG1 VAL 11 -0.117 -2.567 -2.046 37 2HG1 VAL 11 2HG1 VAL 11 -1.667 -2.019 -2.713 38 3HG1 VAL 11 3HG1 VAL 11 -0.322 -0.886 -2.568 39 1HG2 VAL 11 1HG2 VAL 11 -2.721 -0.059 0.182 40 2HG2 VAL 11 2HG2 VAL 11 -1.895 0.634 -1.213 41 3HG2 VAL 11 3HG2 VAL 11 -3.149 -0.586 -1.446 42 H ARG 12 H ARG 12 -0.784 -4.255 -1.627 43 HA ARG 12 HA ARG 12 1.528 -4.791 0.009 44 1HB ARG 12 1HB ARG 12 1.051 -7.068 0.559 45 2HB ARG 12 2HB ARG 12 -0.366 -6.128 1.016 46 1HG ARG 12 1HG ARG 12 -1.682 -7.016 -0.643 47 2HG ARG 12 2HG ARG 12 -0.331 -7.254 -1.745 48 1HD ARG 12 1HD ARG 12 -0.004 -8.875 0.635 49 2HD ARG 12 2HD ARG 12 -1.550 -9.210 -0.144 50 HE ARG 12 HE ARG 12 0.191 -9.250 -2.262 51 1HH1 ARG 12 1HH1 ARG 12 2.567 -10.075 -1.299 52 2HH1 ARG 12 2HH1 ARG 12 2.419 -11.736 -0.836 53 1HH2 ARG 12 1HH2 ARG 12 -1.048 -11.674 -0.738 54 2HH2 ARG 12 2HH2 ARG 12 0.371 -12.643 -0.519 55 H LYS 13 H LYS 13 1.162 -3.862 -2.660 56 HA LYS 13 HA LYS 13 1.268 -5.716 -4.736 57 1HB LYS 13 1HB LYS 13 2.654 -3.092 -4.286 58 2HB LYS 13 2HB LYS 13 3.054 -4.050 -5.712 59 1HG LYS 13 1HG LYS 13 0.442 -4.209 -5.986 60 2HG LYS 13 2HG LYS 13 0.442 -2.770 -4.966 61 1HD LYS 13 1HD LYS 13 2.210 -2.965 -7.403 62 2HD LYS 13 2HD LYS 13 0.541 -2.406 -7.520 63 1HE LYS 13 1HE LYS 13 1.061 -0.390 -6.650 64 2HE LYS 13 2HE LYS 13 1.960 -1.122 -5.321 65 1HZ LYS 13 1HZ LYS 13 2.977 -0.725 -8.084 66 2HZ LYS 13 2HZ LYS 13 3.395 0.215 -6.732 67 3HZ LYS 13 3HZ LYS 13 3.842 -1.422 -6.803 68 H GLY 14 H GLY 14 4.424 -4.332 -4.138 69 1HA GLY 14 1HA GLY 14 5.788 -6.766 -4.701 70 2HA GLY 14 2HA GLY 14 6.523 -5.359 -3.931 71 H ARG 15 H ARG 15 7.702 -6.905 -2.569 72 HA ARG 15 HA ARG 15 6.346 -8.725 -0.804 73 1HB ARG 15 1HB ARG 15 9.073 -7.754 -1.222 74 2HB ARG 15 2HB ARG 15 8.708 -8.020 0.484 75 1HG ARG 15 1HG ARG 15 8.831 -10.248 0.202 76 2HG ARG 15 2HG ARG 15 7.618 -10.182 -1.076 77 1HD ARG 15 1HD ARG 15 9.452 -9.465 -2.660 78 2HD ARG 15 2HD ARG 15 10.607 -9.807 -1.372 79 HE ARG 15 HE ARG 15 10.458 -11.990 -2.275 80 1HH1 ARG 15 1HH1 ARG 15 7.776 -10.850 -3.656 81 2HH1 ARG 15 2HH1 ARG 15 6.712 -12.147 -3.226 82 1HH2 ARG 15 1HH2 ARG 15 8.918 -13.553 -0.947 83 2HH2 ARG 15 2HH2 ARG 15 7.359 -13.679 -1.693 84 H GLU 16 H GLU 16 6.783 -5.304 -0.757 85 HA GLU 16 HA GLU 16 6.518 -4.973 2.120 86 1HB GLU 16 1HB GLU 16 5.979 -2.965 -0.091 87 2HB GLU 16 2HB GLU 16 6.257 -2.601 1.613 88 1HG GLU 16 1HG GLU 16 8.524 -3.559 1.455 89 2HG GLU 16 2HG GLU 16 8.249 -3.931 -0.248 90 H THR 17 H THR 17 4.632 -4.329 3.254 91 HA THR 17 HA THR 17 2.069 -4.220 1.795 92 HB THR 17 HB THR 17 1.948 -6.524 2.131 93 HG1 THR 17 HG1 THR 17 0.376 -5.196 3.449 94 1HG2 THR 17 1HG2 THR 17 4.118 -6.697 3.294 95 2HG2 THR 17 2HG2 THR 17 3.365 -6.118 4.780 96 3HG2 THR 17 3HG2 THR 17 2.887 -7.672 4.096 97 H GLY 18 H GLY 18 0.857 -2.639 2.739 98 1HA GLY 18 1HA GLY 18 0.729 -2.324 5.623 99 2HA GLY 18 2HA GLY 18 1.680 -1.043 4.867 100 H ILE 19 H ILE 19 -0.572 -0.213 6.106 101 HA ILE 19 HA ILE 19 -2.564 0.054 3.963 102 HB ILE 19 HB ILE 19 -3.027 0.706 6.857 103 1HG1 ILE 19 1HG1 ILE 19 -3.227 -1.927 5.380 104 2HG1 ILE 19 2HG1 ILE 19 -2.329 -1.588 6.860 105 1HG2 ILE 19 1HG2 ILE 19 -4.602 1.517 5.039 106 2HG2 ILE 19 2HG2 ILE 19 -4.936 -0.175 4.673 107 3HG2 ILE 19 3HG2 ILE 19 -5.352 0.483 6.255 108 1HD1 ILE 19 1HD1 ILE 19 -5.085 -0.875 7.246 109 2HD1 ILE 19 2HD1 ILE 19 -4.987 -2.515 6.609 110 3HD1 ILE 19 3HD1 ILE 19 -4.136 -2.097 8.093 111 H TYR 20 H TYR 20 -2.564 1.956 2.911 112 HA TYR 20 HA TYR 20 -1.132 4.275 4.002 113 1HB TYR 20 1HB TYR 20 -2.856 4.015 1.556 114 2HB TYR 20 2HB TYR 20 -1.784 5.359 1.891 115 HD1 TYR 20 HD1 TYR 20 0.732 4.724 2.380 116 HD2 TYR 20 HD2 TYR 20 -2.019 2.203 0.257 117 HE1 TYR 20 HE1 TYR 20 2.634 3.520 1.341 118 HE2 TYR 20 HE2 TYR 20 -0.119 1.002 -0.793 119 HH TYR 20 HH TYR 20 2.617 1.924 -1.222 120 H ASN 21 H ASN 21 -2.445 6.456 3.605 121 HA ASN 21 HA ASN 21 -5.280 6.315 4.246 122 1HB ASN 21 1HB ASN 21 -4.467 5.798 6.373 123 2HB ASN 21 2HB ASN 21 -3.114 6.910 6.203 124 1HD2 ASN 21 1HD2 ASN 21 -5.039 9.201 8.127 125 2HD2 ASN 21 2HD2 ASN 21 -3.638 8.244 8.060 126 H THR 22 H THR 22 -4.497 7.526 2.090 127 HA THR 22 HA THR 22 -4.730 10.370 2.610 128 HB THR 22 HB THR 22 -2.375 9.669 0.940 129 HG1 THR 22 HG1 THR 22 -2.256 9.779 3.766 130 1HG2 THR 22 1HG2 THR 22 -3.519 11.961 2.250 131 2HG2 THR 22 2HG2 THR 22 -1.856 11.724 2.786 132 3HG2 THR 22 3HG2 THR 22 -2.213 11.896 1.064 133 H TRP 23 H TRP 23 -5.033 11.569 0.485 134 HA TRP 23 HA TRP 23 -6.367 9.801 -1.448 135 1HB TRP 23 1HB TRP 23 -7.407 11.955 -1.265 136 2HB TRP 23 2HB TRP 23 -5.858 12.792 -1.404 137 HD1 TRP 23 HD1 TRP 23 -8.524 11.026 -3.464 138 HE1 TRP 23 HE1 TRP 23 -8.056 11.422 -5.968 139 HE3 TRP 23 HE3 TRP 23 -3.964 13.291 -3.156 140 HZ2 TRP 23 HZ2 TRP 23 -6.006 12.543 -7.624 141 HZ3 TRP 23 HZ3 TRP 23 -2.777 14.015 -5.210 142 HH2 TRP 23 HH2 TRP 23 -3.793 13.646 -7.440 143 H ASN 24 H ASN 24 -3.517 11.889 -1.282 144 HA ASN 24 HA ASN 24 -2.441 11.314 -3.826 145 1HB ASN 24 1HB ASN 24 -1.374 12.335 -1.246 146 2HB ASN 24 2HB ASN 24 -0.212 11.759 -2.440 147 1HD2 ASN 24 1HD2 ASN 24 -1.976 15.339 -2.981 148 2HD2 ASN 24 2HD2 ASN 24 -2.168 14.438 -1.555 149 H GLU 25 H GLU 25 -1.530 9.962 -0.666 150 HA GLU 25 HA GLU 25 0.203 7.956 -1.499 151 1HB GLU 25 1HB GLU 25 -1.877 7.894 0.700 152 2HB GLU 25 2HB GLU 25 -0.614 6.677 0.517 153 1HG GLU 25 1HG GLU 25 -0.277 9.629 1.084 154 2HG GLU 25 2HG GLU 25 0.221 8.272 2.096 155 H CYS 26 H CYS 26 -3.331 8.018 -1.668 156 HA CYS 26 HA CYS 26 -3.646 5.251 -2.346 157 1HB CYS 26 1HB CYS 26 -5.557 6.482 -1.598 158 2HB CYS 26 2HB CYS 26 -5.367 7.656 -2.902 159 HG CYS 26 HG CYS 26 -5.715 4.901 -4.080 160 H LYS 27 H LYS 27 -3.389 8.114 -4.365 161 HA LYS 27 HA LYS 27 -3.340 6.536 -6.788 162 1HB LYS 27 1HB LYS 27 -3.415 9.294 -5.935 163 2HB LYS 27 2HB LYS 27 -2.322 9.087 -7.317 164 1HG LYS 27 1HG LYS 27 -4.143 9.035 -8.656 165 2HG LYS 27 2HG LYS 27 -4.605 7.520 -7.881 166 1HD LYS 27 1HD LYS 27 -5.552 9.094 -6.001 167 2HD LYS 27 2HD LYS 27 -5.538 10.309 -7.279 168 1HE LYS 27 1HE LYS 27 -6.675 7.666 -8.009 169 2HE LYS 27 2HE LYS 27 -7.619 8.631 -6.874 170 1HZ LYS 27 1HZ LYS 27 -6.526 9.996 -9.209 171 2HZ LYS 27 2HZ LYS 27 -7.822 8.930 -9.474 172 3HZ LYS 27 3HZ LYS 27 -7.999 10.237 -8.402 173 H ASN 28 H ASN 28 -0.976 8.332 -4.827 174 HA ASN 28 HA ASN 28 1.340 7.841 -6.360 175 1HB ASN 28 1HB ASN 28 1.321 9.318 -4.387 176 2HB ASN 28 2HB ASN 28 1.058 7.923 -3.339 177 1HD2 ASN 28 1HD2 ASN 28 4.641 7.658 -5.288 178 2HD2 ASN 28 2HD2 ASN 28 3.201 7.831 -6.171 179 H GLN 29 H GLN 29 -0.155 5.842 -3.815 180 HA GLN 29 HA GLN 29 1.768 3.711 -4.004 181 1HB GLN 29 1HB GLN 29 0.315 2.481 -2.576 182 2HB GLN 29 2HB GLN 29 0.066 4.163 -2.102 183 1HG GLN 29 1HG GLN 29 -1.836 4.223 -3.759 184 2HG GLN 29 2HG GLN 29 -1.683 2.480 -3.901 185 1HE2 GLN 29 1HE2 GLN 29 -2.909 3.956 -0.264 186 2HE2 GLN 29 2HE2 GLN 29 -1.776 4.835 -1.161 187 H VAL 30 H VAL 30 -1.348 4.378 -5.580 188 HA VAL 30 HA VAL 30 -0.609 2.346 -7.621 189 HB VAL 30 HB VAL 30 -2.985 1.525 -7.592 190 1HG1 VAL 30 1HG1 VAL 30 -1.185 1.236 -5.172 191 2HG1 VAL 30 2HG1 VAL 30 -2.664 0.291 -5.348 192 3HG1 VAL 30 3HG1 VAL 30 -1.366 0.125 -6.531 193 1HG2 VAL 30 1HG2 VAL 30 -3.931 3.512 -6.435 194 2HG2 VAL 30 2HG2 VAL 30 -4.327 2.013 -5.596 195 3HG2 VAL 30 3HG2 VAL 30 -3.050 3.058 -4.980 196 H ASP 31 H ASP 31 -0.141 4.487 -8.704 197 HA ASP 31 HA ASP 31 -2.657 5.659 -9.823 198 1HB ASP 31 1HB ASP 31 -1.506 7.402 -8.655 199 2HB ASP 31 2HB ASP 31 0.054 6.906 -9.315 200 H GLY 32 H GLY 32 -2.829 4.254 -11.600 201 1HA GLY 32 1HA GLY 32 -2.279 4.355 -14.035 202 2HA GLY 32 2HA GLY 32 -0.579 4.432 -13.564 203 H TYR 33 H TYR 33 -2.294 2.353 -11.539 204 HA TYR 33 HA TYR 33 -1.190 0.032 -12.978 205 1HB TYR 33 1HB TYR 33 -2.048 0.345 -10.091 206 2HB TYR 33 2HB TYR 33 -1.402 -1.139 -10.794 207 HD1 TYR 33 HD1 TYR 33 -0.546 2.520 -10.706 208 HD2 TYR 33 HD2 TYR 33 0.868 -1.531 -10.492 209 HE1 TYR 33 HE1 TYR 33 1.761 3.345 -10.344 210 HE2 TYR 33 HE2 TYR 33 3.176 -0.707 -10.124 211 HH TYR 33 HH TYR 33 4.344 1.878 -10.857 212 H GLY 34 H GLY 34 -2.651 -1.110 -14.152 213 1HA GLY 34 1HA GLY 34 -5.507 -0.741 -13.785 214 2HA GLY 34 2HA GLY 34 -4.749 -1.849 -14.925 215 H GLY 35 H GLY 35 -3.443 -3.677 -13.512 216 1HA GLY 35 1HA GLY 35 -5.558 -4.812 -11.733 217 2HA GLY 35 2HA GLY 35 -4.409 -5.775 -12.658 218 H ALA 36 H ALA 36 -3.375 -2.922 -10.889 219 HA ALA 36 HA ALA 36 -1.269 -4.225 -9.530 220 1HB ALA 36 1HB ALA 36 -2.572 -1.634 -9.409 221 2HB ALA 36 2HB ALA 36 -2.149 -2.203 -7.792 222 3HB ALA 36 3HB ALA 36 -0.900 -2.053 -9.033 223 H ILE 37 H ILE 37 -1.185 -4.386 -7.033 224 HA ILE 37 HA ILE 37 -3.651 -5.806 -6.151 225 HB ILE 37 HB ILE 37 -1.097 -6.736 -6.017 226 1HG1 ILE 37 1HG1 ILE 37 -3.205 -7.952 -5.505 227 2HG1 ILE 37 2HG1 ILE 37 -1.953 -8.286 -4.305 228 1HG2 ILE 37 1HG2 ILE 37 -0.395 -4.917 -4.476 229 2HG2 ILE 37 2HG2 ILE 37 -1.657 -5.402 -3.342 230 3HG2 ILE 37 3HG2 ILE 37 -0.307 -6.492 -3.684 231 1HD1 ILE 37 1HD1 ILE 37 -3.192 -6.012 -3.302 232 2HD1 ILE 37 2HD1 ILE 37 -4.536 -6.939 -3.970 233 3HD1 ILE 37 3HD1 ILE 37 -3.484 -7.665 -2.754 234 H TYR 38 H TYR 38 -4.806 -4.954 -4.476 235 HA TYR 38 HA TYR 38 -3.773 -3.404 -2.376 236 1HB TYR 38 1HB TYR 38 -4.614 -1.152 -3.141 237 2HB TYR 38 2HB TYR 38 -3.155 -1.716 -3.922 238 HD1 TYR 38 HD1 TYR 38 -6.803 -1.224 -4.355 239 HD2 TYR 38 HD2 TYR 38 -3.123 -2.333 -6.249 240 HE1 TYR 38 HE1 TYR 38 -7.900 -1.031 -6.551 241 HE2 TYR 38 HE2 TYR 38 -4.225 -2.158 -8.469 242 HH TYR 38 HH TYR 38 -7.557 -1.993 -8.860 243 H LYS 39 H LYS 39 -5.283 -3.627 -0.839 244 HA LYS 39 HA LYS 39 -8.120 -4.001 -1.638 245 1HB LYS 39 1HB LYS 39 -6.420 -4.841 0.642 246 2HB LYS 39 2HB LYS 39 -8.072 -4.387 1.064 247 1HG LYS 39 1HG LYS 39 -7.839 -6.817 0.507 248 2HG LYS 39 2HG LYS 39 -8.968 -5.971 -0.554 249 1HD LYS 39 1HD LYS 39 -7.338 -5.827 -2.313 250 2HD LYS 39 2HD LYS 39 -6.051 -6.391 -1.246 251 1HE LYS 39 1HE LYS 39 -8.489 -8.080 -1.806 252 2HE LYS 39 2HE LYS 39 -7.076 -8.120 -2.860 253 1HZ LYS 39 1HZ LYS 39 -6.702 -8.410 0.037 254 2HZ LYS 39 2HZ LYS 39 -7.268 -9.739 -0.850 255 3HZ LYS 39 3HZ LYS 39 -5.772 -9.035 -1.240 256 H LYS 40 H LYS 40 -8.666 -1.807 -2.047 257 HA LYS 40 HA LYS 40 -8.018 0.457 -0.593 258 1HB LYS 40 1HB LYS 40 -9.943 -0.204 -2.535 259 2HB LYS 40 2HB LYS 40 -10.847 0.525 -1.204 260 1HG LYS 40 1HG LYS 40 -8.478 2.047 -1.509 261 2HG LYS 40 2HG LYS 40 -9.148 1.814 -3.131 262 1HD LYS 40 1HD LYS 40 -11.387 2.361 -1.580 263 2HD LYS 40 2HD LYS 40 -10.159 3.437 -0.912 264 1HE LYS 40 1HE LYS 40 -11.387 4.506 -2.784 265 2HE LYS 40 2HE LYS 40 -9.674 4.311 -3.155 266 1HZ LYS 40 1HZ LYS 40 -10.961 1.977 -3.942 267 2HZ LYS 40 2HZ LYS 40 -11.900 3.264 -4.524 268 3HZ LYS 40 3HZ LYS 40 -10.254 3.160 -4.936 269 H PHE 41 H PHE 41 -9.014 1.597 1.140 270 HA PHE 41 HA PHE 41 -11.014 0.240 2.806 271 1HB PHE 41 1HB PHE 41 -8.155 0.073 3.347 272 2HB PHE 41 2HB PHE 41 -9.106 0.707 4.699 273 HD1 PHE 41 HD1 PHE 41 -11.406 -0.548 5.115 274 HD2 PHE 41 HD2 PHE 41 -8.011 -2.259 3.119 275 HE1 PHE 41 HE1 PHE 41 -12.273 -2.819 5.590 276 HE2 PHE 41 HE2 PHE 41 -8.879 -4.534 3.593 277 HZ PHE 41 HZ PHE 41 -11.010 -4.814 4.831 278 H ASN 42 H ASN 42 -11.669 1.567 4.604 279 HA ASN 42 HA ASN 42 -10.806 4.412 4.472 280 1HB ASN 42 1HB ASN 42 -13.234 3.326 3.527 281 2HB ASN 42 2HB ASN 42 -13.617 4.183 5.020 282 1HD2 ASN 42 1HD2 ASN 42 -12.819 7.404 3.694 283 2HD2 ASN 42 2HD2 ASN 42 -13.044 6.515 5.123 284 H SER 43 H SER 43 -10.319 2.115 6.302 285 HA SER 43 HA SER 43 -10.832 3.485 8.808 286 1HB SER 43 1HB SER 43 -12.944 2.520 8.939 287 2HB SER 43 2HB SER 43 -12.476 1.124 7.971 288 HG SER 43 HG SER 43 -11.333 1.598 10.505 289 H TYR 44 H TYR 44 -8.561 3.307 8.926 290 HA TYR 44 HA TYR 44 -6.793 1.297 8.476 291 1HB TYR 44 1HB TYR 44 -6.642 3.571 9.900 292 2HB TYR 44 2HB TYR 44 -6.638 2.419 11.233 293 HD1 TYR 44 HD1 TYR 44 -5.335 0.250 9.205 294 HD2 TYR 44 HD2 TYR 44 -4.296 4.188 10.573 295 HE1 TYR 44 HE1 TYR 44 -2.942 -0.236 8.785 296 HE2 TYR 44 HE2 TYR 44 -1.901 3.701 10.151 297 HH TYR 44 HH TYR 44 -0.849 0.488 9.029 298 H GLU 45 H GLU 45 -9.279 1.233 10.956 299 HA GLU 45 HA GLU 45 -8.254 -1.056 12.384 300 1HB GLU 45 1HB GLU 45 -10.932 0.317 12.239 301 2HB GLU 45 2HB GLU 45 -10.750 -1.204 13.114 302 1HG GLU 45 1HG GLU 45 -8.712 0.896 13.659 303 2HG GLU 45 2HG GLU 45 -10.337 1.192 14.279 304 H GLN 46 H GLN 46 -10.542 -0.688 9.675 305 HA GLN 46 HA GLN 46 -11.133 -3.498 9.596 306 1HB GLN 46 1HB GLN 46 -11.591 -1.316 7.557 307 2HB GLN 46 2HB GLN 46 -12.222 -2.960 7.428 308 1HG GLN 46 1HG GLN 46 -12.768 -1.664 10.012 309 2HG GLN 46 2HG GLN 46 -13.553 -0.886 8.637 310 1HE2 GLN 46 1HE2 GLN 46 -15.468 -3.946 10.041 311 2HE2 GLN 46 2HE2 GLN 46 -14.610 -2.750 10.887 312 H ALA 47 H ALA 47 -9.337 -1.298 7.509 313 HA ALA 47 HA ALA 47 -8.167 -3.161 5.801 314 1HB ALA 47 1HB ALA 47 -6.961 -0.650 6.998 315 2HB ALA 47 2HB ALA 47 -6.245 -1.539 5.651 316 3HB ALA 47 3HB ALA 47 -7.822 -0.774 5.465 317 H LYS 48 H LYS 48 -6.973 -1.990 8.930 318 HA LYS 48 HA LYS 48 -4.649 -3.592 9.113 319 1HB LYS 48 1HB LYS 48 -6.501 -2.401 11.158 320 2HB LYS 48 2HB LYS 48 -5.232 -3.509 11.678 321 1HG LYS 48 1HG LYS 48 -4.484 -1.316 9.788 322 2HG LYS 48 2HG LYS 48 -4.767 -0.896 11.479 323 1HD LYS 48 1HD LYS 48 -3.234 -3.127 11.772 324 2HD LYS 48 2HD LYS 48 -2.575 -2.475 10.271 325 1HE LYS 48 1HE LYS 48 -1.346 -1.102 11.581 326 2HE LYS 48 2HE LYS 48 -2.848 -0.223 11.866 327 1HZ LYS 48 1HZ LYS 48 -3.135 -2.159 13.626 328 2HZ LYS 48 2HZ LYS 48 -1.438 -2.107 13.588 329 3HZ LYS 48 3HZ LYS 48 -2.317 -0.715 13.996 330 H SER 49 H SER 49 -7.731 -4.320 10.794 331 HA SER 49 HA SER 49 -7.174 -6.960 11.466 332 1HB SER 49 1HB SER 49 -9.249 -5.691 12.098 333 2HB SER 49 2HB SER 49 -9.855 -5.959 10.466 334 HG SER 49 HG SER 49 -8.984 -8.061 12.155 335 H PHE 50 H PHE 50 -7.774 -5.603 8.332 336 HA PHE 50 HA PHE 50 -8.429 -8.111 7.018 337 1HB PHE 50 1HB PHE 50 -8.671 -5.464 6.333 338 2HB PHE 50 2HB PHE 50 -7.260 -5.946 5.391 339 HD1 PHE 50 HD1 PHE 50 -10.579 -7.428 6.355 340 HD2 PHE 50 HD2 PHE 50 -7.700 -6.718 3.247 341 HE1 PHE 50 HE1 PHE 50 -12.055 -8.573 4.726 342 HE2 PHE 50 HE2 PHE 50 -9.175 -7.865 1.617 343 HZ PHE 50 HZ PHE 50 -11.354 -8.792 2.357 344 H LEU 51 H LEU 51 -5.530 -6.031 7.233 345 HA LEU 51 HA LEU 51 -3.790 -7.435 5.642 346 1HB LEU 51 1HB LEU 51 -3.013 -6.394 8.363 347 2HB LEU 51 2HB LEU 51 -2.031 -6.472 6.913 348 HG LEU 51 HG LEU 51 -4.329 -4.615 7.496 349 1HD1 LEU 51 1HD1 LEU 51 -1.464 -4.448 7.496 350 2HD1 LEU 51 2HD1 LEU 51 -2.089 -3.406 6.216 351 3HD1 LEU 51 3HD1 LEU 51 -2.633 -3.185 7.880 352 1HD2 LEU 51 1HD2 LEU 51 -3.482 -5.750 4.928 353 2HD2 LEU 51 2HD2 LEU 51 -4.926 -4.817 5.320 354 3HD2 LEU 51 3HD2 LEU 51 -3.412 -3.988 4.956 355 H GLY 52 H GLY 52 -5.060 -8.364 8.773 356 1HA GLY 52 1HA GLY 52 -5.103 -10.886 9.072 357 2HA GLY 52 2HA GLY 52 -3.394 -10.847 8.638 Start of MODEL 11 1 H GLY 6 H GLY 6 -8.094 11.895 0.511 2 1HA GLY 6 1HA GLY 6 -6.325 10.943 2.035 3 2HA GLY 6 2HA GLY 6 -7.355 11.428 3.373 4 H ASN 7 H ASN 7 -6.382 8.711 2.023 5 HA ASN 7 HA ASN 7 -8.909 7.349 2.595 6 1HB ASN 7 1HB ASN 7 -7.299 6.743 0.121 7 2HB ASN 7 2HB ASN 7 -8.821 6.018 0.592 8 1HD2 ASN 7 1HD2 ASN 7 -10.753 8.568 -0.881 9 2HD2 ASN 7 2HD2 ASN 7 -10.707 7.021 -0.186 10 H PHE 8 H PHE 8 -8.501 4.935 2.789 11 HA PHE 8 HA PHE 8 -5.801 4.537 3.975 12 1HB PHE 8 1HB PHE 8 -8.503 3.420 4.523 13 2HB PHE 8 2HB PHE 8 -7.135 2.328 4.743 14 HD1 PHE 8 HD1 PHE 8 -8.732 5.447 5.883 15 HD2 PHE 8 HD2 PHE 8 -5.443 2.744 6.451 16 HE1 PHE 8 HE1 PHE 8 -8.213 6.535 8.050 17 HE2 PHE 8 HE2 PHE 8 -4.924 3.831 8.618 18 HZ PHE 8 HZ PHE 8 -6.310 5.727 9.418 19 H TYR 9 H TYR 9 -4.388 2.997 3.034 20 HA TYR 9 HA TYR 9 -5.668 1.225 1.006 21 1HB TYR 9 1HB TYR 9 -4.168 3.464 0.269 22 2HB TYR 9 2HB TYR 9 -3.115 2.065 -0.018 23 HD1 TYR 9 HD1 TYR 9 -4.581 -0.082 -0.791 24 HD2 TYR 9 HD2 TYR 9 -5.485 4.033 -1.601 25 HE1 TYR 9 HE1 TYR 9 -5.974 -0.764 -2.697 26 HE2 TYR 9 HE2 TYR 9 -6.874 3.343 -3.544 27 HH TYR 9 HH TYR 9 -7.025 1.381 -5.088 28 H ALA 10 H ALA 10 -5.240 -0.787 1.654 29 HA ALA 10 HA ALA 10 -2.677 -1.445 2.992 30 1HB ALA 10 1HB ALA 10 -5.030 -3.141 2.071 31 2HB ALA 10 2HB ALA 10 -3.605 -3.803 2.874 32 3HB ALA 10 3HB ALA 10 -4.655 -2.672 3.730 33 H VAL 11 H VAL 11 -0.944 -1.402 1.555 34 HA VAL 11 HA VAL 11 -1.341 -2.860 -1.033 35 HB VAL 11 HB VAL 11 0.039 -0.194 -0.688 36 1HG1 VAL 11 1HG1 VAL 11 0.797 -1.550 -2.586 37 2HG1 VAL 11 2HG1 VAL 11 -0.880 -1.714 -3.126 38 3HG1 VAL 11 3HG1 VAL 11 -0.109 -0.128 -3.121 39 1HG2 VAL 11 1HG2 VAL 11 -2.413 -0.102 -0.224 40 2HG2 VAL 11 2HG2 VAL 11 -1.961 0.787 -1.678 41 3HG2 VAL 11 3HG2 VAL 11 -2.709 -0.803 -1.814 42 H ARG 12 H ARG 12 0.616 -3.678 -2.059 43 HA ARG 12 HA ARG 12 3.227 -3.216 -1.020 44 1HB ARG 12 1HB ARG 12 3.105 -4.393 0.893 45 2HB ARG 12 2HB ARG 12 1.616 -5.185 0.419 46 1HG ARG 12 1HG ARG 12 3.878 -6.244 -1.087 47 2HG ARG 12 2HG ARG 12 4.158 -6.350 0.640 48 1HD ARG 12 1HD ARG 12 2.811 -8.257 -0.633 49 2HD ARG 12 2HD ARG 12 2.377 -7.772 1.002 50 HE ARG 12 HE ARG 12 0.986 -6.320 -1.146 51 1HH1 ARG 12 1HH1 ARG 12 0.966 -9.467 0.027 52 2HH1 ARG 12 2HH1 ARG 12 -0.699 -9.468 0.504 53 1HH2 ARG 12 1HH2 ARG 12 -1.142 -6.079 -0.083 54 2HH2 ARG 12 2HH2 ARG 12 -1.894 -7.549 0.440 55 H LYS 13 H LYS 13 1.055 -5.364 -2.749 56 HA LYS 13 HA LYS 13 1.477 -6.860 -4.526 57 1HB LYS 13 1HB LYS 13 2.048 -5.679 -6.413 58 2HB LYS 13 2HB LYS 13 1.820 -4.318 -5.322 59 1HG LYS 13 1HG LYS 13 4.390 -4.732 -4.799 60 2HG LYS 13 2HG LYS 13 4.362 -5.494 -6.384 61 1HD LYS 13 1HD LYS 13 3.311 -3.410 -7.302 62 2HD LYS 13 2HD LYS 13 3.541 -2.654 -5.724 63 1HE LYS 13 1HE LYS 13 5.422 -2.036 -7.116 64 2HE LYS 13 2HE LYS 13 5.997 -3.187 -5.911 65 1HZ LYS 13 1HZ LYS 13 5.185 -4.785 -7.931 66 2HZ LYS 13 2HZ LYS 13 5.827 -3.458 -8.770 67 3HZ LYS 13 3HZ LYS 13 6.791 -4.302 -7.654 68 H GLY 14 H GLY 14 3.091 -7.395 -2.257 69 1HA GLY 14 1HA GLY 14 5.230 -8.918 -3.550 70 2HA GLY 14 2HA GLY 14 5.809 -7.662 -2.453 71 H ARG 15 H ARG 15 5.179 -7.810 -0.179 72 HA ARG 15 HA ARG 15 3.801 -10.229 0.734 73 1HB ARG 15 1HB ARG 15 5.983 -11.198 0.379 74 2HB ARG 15 2HB ARG 15 6.772 -9.847 1.193 75 1HG ARG 15 1HG ARG 15 6.650 -11.069 3.087 76 2HG ARG 15 2HG ARG 15 4.912 -10.773 3.061 77 1HD ARG 15 1HD ARG 15 4.753 -12.796 1.488 78 2HD ARG 15 2HD ARG 15 6.411 -13.156 1.970 79 HE ARG 15 HE ARG 15 4.941 -12.782 4.349 80 1HH1 ARG 15 1HH1 ARG 15 2.685 -14.139 3.190 81 2HH1 ARG 15 2HH1 ARG 15 3.074 -15.820 3.328 82 1HH2 ARG 15 1HH2 ARG 15 6.457 -15.265 3.856 83 2HH2 ARG 15 2HH2 ARG 15 5.211 -16.458 3.708 84 H GLU 16 H GLU 16 5.892 -7.490 1.703 85 HA GLU 16 HA GLU 16 5.166 -7.345 4.415 86 1HB GLU 16 1HB GLU 16 5.777 -5.112 2.460 87 2HB GLU 16 2HB GLU 16 5.644 -4.880 4.204 88 1HG GLU 16 1HG GLU 16 7.609 -6.693 2.773 89 2HG GLU 16 2HG GLU 16 7.990 -5.196 3.628 90 H THR 17 H THR 17 3.941 -4.689 2.501 91 HA THR 17 HA THR 17 1.641 -4.172 1.947 92 HB THR 17 HB THR 17 1.094 -6.616 2.851 93 HG1 THR 17 HG1 THR 17 -0.757 -6.078 2.057 94 1HG2 THR 17 1HG2 THR 17 1.405 -5.777 5.255 95 2HG2 THR 17 2HG2 THR 17 -0.086 -4.872 5.015 96 3HG2 THR 17 3HG2 THR 17 -0.102 -6.633 4.921 97 H GLY 18 H GLY 18 1.246 -2.153 2.495 98 1HA GLY 18 1HA GLY 18 1.257 -1.482 5.405 99 2HA GLY 18 2HA GLY 18 2.135 -0.461 4.261 100 H ILE 19 H ILE 19 -0.380 -0.069 5.992 101 HA ILE 19 HA ILE 19 -2.340 0.495 3.905 102 HB ILE 19 HB ILE 19 -2.701 0.999 6.844 103 1HG1 ILE 19 1HG1 ILE 19 -2.878 -1.581 5.272 104 2HG1 ILE 19 2HG1 ILE 19 -1.976 -1.275 6.756 105 1HG2 ILE 19 1HG2 ILE 19 -4.358 1.858 5.135 106 2HG2 ILE 19 2HG2 ILE 19 -4.662 0.180 4.682 107 3HG2 ILE 19 3HG2 ILE 19 -5.043 0.737 6.312 108 1HD1 ILE 19 1HD1 ILE 19 -4.718 -0.633 7.243 109 2HD1 ILE 19 2HD1 ILE 19 -4.652 -2.224 6.485 110 3HD1 ILE 19 3HD1 ILE 19 -3.753 -1.916 7.970 111 H TYR 20 H TYR 20 -2.276 2.480 2.931 112 HA TYR 20 HA TYR 20 -0.874 4.715 4.230 113 1HB TYR 20 1HB TYR 20 -2.638 4.975 1.825 114 2HB TYR 20 2HB TYR 20 -1.227 5.931 2.234 115 HD1 TYR 20 HD1 TYR 20 0.882 4.132 2.801 116 HD2 TYR 20 HD2 TYR 20 -2.235 3.713 -0.119 117 HE1 TYR 20 HE1 TYR 20 2.331 2.618 1.472 118 HE2 TYR 20 HE2 TYR 20 -0.786 2.204 -1.452 119 HH TYR 20 HH TYR 20 2.456 1.282 -0.297 120 H ASN 21 H ASN 21 -2.175 6.887 4.034 121 HA ASN 21 HA ASN 21 -5.021 6.611 4.738 122 1HB ASN 21 1HB ASN 21 -3.942 6.303 6.846 123 2HB ASN 21 2HB ASN 21 -2.819 7.618 6.512 124 1HD2 ASN 21 1HD2 ASN 21 -3.443 9.107 8.176 125 2HD2 ASN 21 2HD2 ASN 21 -5.004 9.759 8.305 126 H THR 22 H THR 22 -4.280 7.681 2.455 127 HA THR 22 HA THR 22 -4.731 10.533 2.757 128 HB THR 22 HB THR 22 -2.355 9.865 1.105 129 HG1 THR 22 HG1 THR 22 -1.990 10.323 3.842 130 1HG2 THR 22 1HG2 THR 22 -3.580 12.158 2.419 131 2HG2 THR 22 2HG2 THR 22 -1.845 12.056 2.711 132 3HG2 THR 22 3HG2 THR 22 -2.460 12.107 1.057 133 H TRP 23 H TRP 23 -5.224 11.496 0.569 134 HA TRP 23 HA TRP 23 -6.394 9.453 -1.181 135 1HB TRP 23 1HB TRP 23 -7.723 11.380 -1.168 136 2HB TRP 23 2HB TRP 23 -6.334 12.463 -1.177 137 HD1 TRP 23 HD1 TRP 23 -8.606 10.457 -3.460 138 HE1 TRP 23 HE1 TRP 23 -8.074 11.053 -5.914 139 HE3 TRP 23 HE3 TRP 23 -4.421 13.264 -2.771 140 HZ2 TRP 23 HZ2 TRP 23 -6.112 12.534 -7.389 141 HZ3 TRP 23 HZ3 TRP 23 -3.228 14.259 -4.710 142 HH2 TRP 23 HH2 TRP 23 -4.070 13.893 -7.015 143 H ASN 24 H ASN 24 -3.663 11.678 -1.131 144 HA ASN 24 HA ASN 24 -2.694 11.116 -3.746 145 1HB ASN 24 1HB ASN 24 -1.992 13.032 -2.203 146 2HB ASN 24 2HB ASN 24 -0.971 11.850 -1.381 147 1HD2 ASN 24 1HD2 ASN 24 -0.061 12.694 -5.314 148 2HD2 ASN 24 2HD2 ASN 24 -1.688 12.710 -4.827 149 H GLU 25 H GLU 25 -1.564 9.938 -0.561 150 HA GLU 25 HA GLU 25 0.242 7.989 -1.404 151 1HB GLU 25 1HB GLU 25 -1.796 7.866 0.836 152 2HB GLU 25 2HB GLU 25 -0.487 6.699 0.643 153 1HG GLU 25 1HG GLU 25 -0.301 9.646 1.259 154 2HG GLU 25 2HG GLU 25 0.350 8.290 2.181 155 H CYS 26 H CYS 26 -3.279 7.814 -1.155 156 HA CYS 26 HA CYS 26 -3.560 5.107 -1.977 157 1HB CYS 26 1HB CYS 26 -5.464 6.029 -0.992 158 2HB CYS 26 2HB CYS 26 -5.344 7.510 -1.936 159 HG CYS 26 HG CYS 26 -7.154 6.316 -3.228 160 H LYS 27 H LYS 27 -4.710 7.720 -3.977 161 HA LYS 27 HA LYS 27 -4.527 6.465 -6.438 162 1HB LYS 27 1HB LYS 27 -4.601 9.174 -5.342 163 2HB LYS 27 2HB LYS 27 -3.948 9.087 -6.985 164 1HG LYS 27 1HG LYS 27 -6.210 9.247 -7.475 165 2HG LYS 27 2HG LYS 27 -6.063 7.494 -7.337 166 1HD LYS 27 1HD LYS 27 -6.908 7.505 -5.098 167 2HD LYS 27 2HD LYS 27 -6.762 9.258 -4.980 168 1HE LYS 27 1HE LYS 27 -9.048 8.971 -5.408 169 2HE LYS 27 2HE LYS 27 -8.397 9.284 -7.017 170 1HZ LYS 27 1HZ LYS 27 -8.371 6.511 -6.182 171 2HZ LYS 27 2HZ LYS 27 -9.914 7.176 -6.404 172 3HZ LYS 27 3HZ LYS 27 -8.792 7.193 -7.680 173 H ASN 28 H ASN 28 -2.099 8.747 -5.119 174 HA ASN 28 HA ASN 28 -0.130 8.535 -7.052 175 1HB ASN 28 1HB ASN 28 -0.049 9.910 -4.912 176 2HB ASN 28 2HB ASN 28 0.498 8.446 -4.093 177 1HD2 ASN 28 1HD2 ASN 28 3.012 10.280 -6.779 178 2HD2 ASN 28 2HD2 ASN 28 1.346 10.597 -6.849 179 H GLN 29 H GLN 29 -0.643 6.293 -4.325 180 HA GLN 29 HA GLN 29 1.515 4.538 -5.120 181 1HB GLN 29 1HB GLN 29 -0.863 4.160 -3.286 182 2HB GLN 29 2HB GLN 29 0.389 2.939 -3.513 183 1HG GLN 29 1HG GLN 29 0.949 5.786 -2.628 184 2HG GLN 29 2HG GLN 29 0.774 4.429 -1.517 185 1HE2 GLN 29 1HE2 GLN 29 4.249 4.927 -3.542 186 2HE2 GLN 29 2HE2 GLN 29 2.957 6.014 -3.716 187 H VAL 30 H VAL 30 -1.829 4.887 -6.029 188 HA VAL 30 HA VAL 30 -1.455 2.762 -8.045 189 HB VAL 30 HB VAL 30 -3.721 1.795 -7.427 190 1HG1 VAL 30 1HG1 VAL 30 -1.338 1.614 -5.574 191 2HG1 VAL 30 2HG1 VAL 30 -2.751 0.572 -5.402 192 3HG1 VAL 30 3HG1 VAL 30 -1.786 0.510 -6.877 193 1HG2 VAL 30 1HG2 VAL 30 -4.135 3.910 -5.927 194 2HG2 VAL 30 2HG2 VAL 30 -4.721 2.337 -5.383 195 3HG2 VAL 30 3HG2 VAL 30 -3.229 3.001 -4.718 196 H ASP 31 H ASP 31 -1.445 5.043 -9.116 197 HA ASP 31 HA ASP 31 -4.245 5.923 -9.613 198 1HB ASP 31 1HB ASP 31 -3.488 8.070 -9.711 199 2HB ASP 31 2HB ASP 31 -2.072 7.428 -8.887 200 H GLY 32 H GLY 32 -1.437 4.551 -11.046 201 1HA GLY 32 1HA GLY 32 -2.881 4.413 -13.659 202 2HA GLY 32 2HA GLY 32 -1.154 4.773 -13.597 203 H TYR 33 H TYR 33 -3.211 2.360 -11.937 204 HA TYR 33 HA TYR 33 -1.317 0.303 -12.893 205 1HB TYR 33 1HB TYR 33 -2.829 0.386 -10.271 206 2HB TYR 33 2HB TYR 33 -1.760 -0.921 -10.789 207 HD1 TYR 33 HD1 TYR 33 -1.731 2.816 -10.514 208 HD2 TYR 33 HD2 TYR 33 0.443 -0.852 -10.034 209 HE1 TYR 33 HE1 TYR 33 0.215 4.092 -9.665 210 HE2 TYR 33 HE2 TYR 33 2.396 0.419 -9.178 211 HH TYR 33 HH TYR 33 2.644 2.813 -7.969 212 H GLY 34 H GLY 34 -2.367 -0.771 -14.501 213 1HA GLY 34 1HA GLY 34 -5.062 -0.908 -15.081 214 2HA GLY 34 2HA GLY 34 -3.965 -2.245 -15.423 215 H GLY 35 H GLY 35 -3.398 -3.493 -13.228 216 1HA GLY 35 1HA GLY 35 -5.848 -3.734 -11.555 217 2HA GLY 35 2HA GLY 35 -5.243 -5.175 -12.375 218 H ALA 36 H ALA 36 -3.896 -2.519 -10.380 219 HA ALA 36 HA ALA 36 -1.683 -4.020 -9.408 220 1HB ALA 36 1HB ALA 36 -3.078 -1.511 -8.640 221 2HB ALA 36 2HB ALA 36 -2.113 -2.279 -7.380 222 3HB ALA 36 3HB ALA 36 -1.359 -1.809 -8.903 223 H ILE 37 H ILE 37 -1.476 -4.467 -6.942 224 HA ILE 37 HA ILE 37 -3.532 -6.427 -6.228 225 HB ILE 37 HB ILE 37 -1.092 -6.819 -5.837 226 1HG1 ILE 37 1HG1 ILE 37 -2.994 -7.828 -4.403 227 2HG1 ILE 37 2HG1 ILE 37 -1.364 -7.884 -3.739 228 1HG2 ILE 37 1HG2 ILE 37 -0.687 -4.390 -5.265 229 2HG2 ILE 37 2HG2 ILE 37 -1.361 -4.738 -3.675 230 3HG2 ILE 37 3HG2 ILE 37 0.093 -5.562 -4.216 231 1HD1 ILE 37 1HD1 ILE 37 -2.452 -5.390 -2.926 232 2HD1 ILE 37 2HD1 ILE 37 -3.711 -6.594 -2.658 233 3HD1 ILE 37 3HD1 ILE 37 -2.126 -6.798 -1.918 234 H TYR 38 H TYR 38 -2.304 -3.410 -5.066 235 HA TYR 38 HA TYR 38 -2.990 -2.703 -2.730 236 1HB TYR 38 1HB TYR 38 -3.970 -0.616 -3.376 237 2HB TYR 38 2HB TYR 38 -2.725 -1.054 -4.525 238 HD1 TYR 38 HD1 TYR 38 -6.456 -1.462 -4.059 239 HD2 TYR 38 HD2 TYR 38 -3.192 -0.879 -6.779 240 HE1 TYR 38 HE1 TYR 38 -8.062 -1.194 -5.906 241 HE2 TYR 38 HE2 TYR 38 -4.805 -0.626 -8.646 242 HH TYR 38 HH TYR 38 -8.222 -0.321 -8.088 243 H LYS 39 H LYS 39 -4.453 -2.763 -1.196 244 HA LYS 39 HA LYS 39 -7.192 -3.767 -1.827 245 1HB LYS 39 1HB LYS 39 -5.241 -4.681 0.066 246 2HB LYS 39 2HB LYS 39 -6.574 -3.967 0.970 247 1HG LYS 39 1HG LYS 39 -7.417 -6.094 0.697 248 2HG LYS 39 2HG LYS 39 -8.021 -5.360 -0.789 249 1HD LYS 39 1HD LYS 39 -5.700 -6.113 -1.769 250 2HD LYS 39 2HD LYS 39 -5.712 -7.242 -0.414 251 1HE LYS 39 1HE LYS 39 -8.292 -7.411 -1.473 252 2HE LYS 39 2HE LYS 39 -7.243 -7.322 -2.887 253 1HZ LYS 39 1HZ LYS 39 -6.296 -9.054 -0.776 254 2HZ LYS 39 2HZ LYS 39 -7.737 -9.566 -1.517 255 3HZ LYS 39 3HZ LYS 39 -6.347 -9.312 -2.454 256 H LYS 40 H LYS 40 -7.870 -1.593 -2.230 257 HA LYS 40 HA LYS 40 -7.411 0.655 -0.643 258 1HB LYS 40 1HB LYS 40 -8.889 0.149 -2.867 259 2HB LYS 40 2HB LYS 40 -10.175 0.363 -1.678 260 1HG LYS 40 1HG LYS 40 -8.093 2.363 -1.360 261 2HG LYS 40 2HG LYS 40 -8.778 2.393 -2.989 262 1HD LYS 40 1HD LYS 40 -11.053 2.145 -1.561 263 2HD LYS 40 2HD LYS 40 -10.066 2.999 -0.375 264 1HE LYS 40 1HE LYS 40 -10.512 3.898 -3.236 265 2HE LYS 40 2HE LYS 40 -11.323 4.572 -1.822 266 1HZ LYS 40 1HZ LYS 40 -8.567 4.533 -1.333 267 2HZ LYS 40 2HZ LYS 40 -8.816 5.244 -2.856 268 3HZ LYS 40 3HZ LYS 40 -9.589 5.881 -1.488 269 H PHE 41 H PHE 41 -8.562 1.654 1.050 270 HA PHE 41 HA PHE 41 -10.733 0.229 2.401 271 1HB PHE 41 1HB PHE 41 -7.949 0.029 3.299 272 2HB PHE 41 2HB PHE 41 -9.100 0.526 4.550 273 HD1 PHE 41 HD1 PHE 41 -11.437 -0.753 4.415 274 HD2 PHE 41 HD2 PHE 41 -7.694 -2.281 2.968 275 HE1 PHE 41 HE1 PHE 41 -12.340 -3.046 4.520 276 HE2 PHE 41 HE2 PHE 41 -8.592 -4.592 3.082 277 HZ PHE 41 HZ PHE 41 -10.923 -4.977 3.861 278 H ASN 42 H ASN 42 -11.585 1.483 4.209 279 HA ASN 42 HA ASN 42 -10.707 4.339 4.186 280 1HB ASN 42 1HB ASN 42 -12.719 3.982 2.771 281 2HB ASN 42 2HB ASN 42 -13.543 3.293 4.168 282 1HD2 ASN 42 1HD2 ASN 42 -14.331 6.444 5.558 283 2HD2 ASN 42 2HD2 ASN 42 -14.501 4.758 5.647 284 H SER 43 H SER 43 -10.089 2.211 6.030 285 HA SER 43 HA SER 43 -10.627 3.462 8.518 286 1HB SER 43 1HB SER 43 -12.877 2.813 8.510 287 2HB SER 43 2HB SER 43 -12.544 1.325 7.625 288 HG SER 43 HG SER 43 -12.727 0.566 9.615 289 H TYR 44 H TYR 44 -8.465 2.956 8.869 290 HA TYR 44 HA TYR 44 -6.910 0.799 8.361 291 1HB TYR 44 1HB TYR 44 -6.322 2.777 9.833 292 2HB TYR 44 2HB TYR 44 -7.096 1.921 11.167 293 HD1 TYR 44 HD1 TYR 44 -4.849 0.870 8.349 294 HD2 TYR 44 HD2 TYR 44 -5.526 0.967 12.589 295 HE1 TYR 44 HE1 TYR 44 -2.779 -0.448 8.708 296 HE2 TYR 44 HE2 TYR 44 -3.458 -0.352 12.950 297 HH TYR 44 HH TYR 44 -1.624 -1.673 10.234 298 H GLU 45 H GLU 45 -9.578 0.816 10.652 299 HA GLU 45 HA GLU 45 -9.092 -1.611 12.008 300 1HB GLU 45 1HB GLU 45 -11.512 -0.018 11.328 301 2HB GLU 45 2HB GLU 45 -11.777 -1.696 11.801 302 1HG GLU 45 1HG GLU 45 -9.845 -0.598 13.584 303 2HG GLU 45 2HG GLU 45 -11.187 0.542 13.483 304 H GLN 46 H GLN 46 -10.736 -1.088 8.874 305 HA GLN 46 HA GLN 46 -11.117 -3.916 8.487 306 1HB GLN 46 1HB GLN 46 -11.339 -1.675 6.484 307 2HB GLN 46 2HB GLN 46 -12.037 -3.291 6.339 308 1HG GLN 46 1HG GLN 46 -13.421 -2.865 8.340 309 2HG GLN 46 2HG GLN 46 -12.744 -1.240 8.453 310 1HE2 GLN 46 1HE2 GLN 46 -15.420 -2.073 5.446 311 2HE2 GLN 46 2HE2 GLN 46 -14.594 -3.350 6.201 312 H ALA 47 H ALA 47 -9.121 -1.415 7.023 313 HA ALA 47 HA ALA 47 -7.618 -3.014 5.284 314 1HB ALA 47 1HB ALA 47 -7.462 -0.533 5.405 315 2HB ALA 47 2HB ALA 47 -6.609 -0.685 6.940 316 3HB ALA 47 3HB ALA 47 -5.873 -1.298 5.457 317 H LYS 48 H LYS 48 -6.941 -2.179 8.680 318 HA LYS 48 HA LYS 48 -4.634 -3.857 8.948 319 1HB LYS 48 1HB LYS 48 -5.787 -2.064 10.597 320 2HB LYS 48 2HB LYS 48 -6.421 -3.550 11.307 321 1HG LYS 48 1HG LYS 48 -3.579 -3.748 10.639 322 2HG LYS 48 2HG LYS 48 -3.913 -2.462 11.800 323 1HD LYS 48 1HD LYS 48 -5.482 -4.745 12.519 324 2HD LYS 48 2HD LYS 48 -3.817 -5.271 12.279 325 1HE LYS 48 1HE LYS 48 -3.543 -2.870 13.651 326 2HE LYS 48 2HE LYS 48 -4.948 -3.621 14.408 327 1HZ LYS 48 1HZ LYS 48 -2.750 -5.421 13.893 328 2HZ LYS 48 2HZ LYS 48 -2.400 -4.197 15.018 329 3HZ LYS 48 3HZ LYS 48 -3.709 -5.248 15.280 330 H SER 49 H SER 49 -8.080 -4.430 9.616 331 HA SER 49 HA SER 49 -8.014 -6.999 10.636 332 1HB SER 49 1HB SER 49 -10.167 -6.119 10.429 333 2HB SER 49 2HB SER 49 -9.902 -5.602 8.766 334 HG SER 49 HG SER 49 -10.171 -7.653 8.077 335 H PHE 50 H PHE 50 -7.802 -6.068 7.183 336 HA PHE 50 HA PHE 50 -7.442 -8.838 6.339 337 1HB PHE 50 1HB PHE 50 -7.596 -6.189 5.055 338 2HB PHE 50 2HB PHE 50 -6.481 -7.306 4.266 339 HD1 PHE 50 HD1 PHE 50 -7.752 -9.915 4.816 340 HD2 PHE 50 HD2 PHE 50 -9.504 -6.166 3.662 341 HE1 PHE 50 HE1 PHE 50 -9.669 -11.121 3.807 342 HE2 PHE 50 HE2 PHE 50 -11.422 -7.373 2.654 343 HZ PHE 50 HZ PHE 50 -11.505 -9.850 2.727 344 H LEU 51 H LEU 51 -5.382 -6.111 7.150 345 HA LEU 51 HA LEU 51 -2.940 -7.165 6.167 346 1HB LEU 51 1HB LEU 51 -3.816 -4.934 7.775 347 2HB LEU 51 2HB LEU 51 -2.339 -5.625 8.433 348 HG LEU 51 HG LEU 51 -1.358 -5.522 6.125 349 1HD1 LEU 51 1HD1 LEU 51 -3.998 -4.161 5.623 350 2HD1 LEU 51 2HD1 LEU 51 -2.583 -3.788 4.639 351 3HD1 LEU 51 3HD1 LEU 51 -3.221 -5.433 4.680 352 1HD2 LEU 51 1HD2 LEU 51 -2.296 -2.997 7.502 353 2HD2 LEU 51 2HD2 LEU 51 -0.726 -3.788 7.648 354 3HD2 LEU 51 3HD2 LEU 51 -1.165 -2.970 6.147 355 H GLY 52 H GLY 52 -3.672 -6.777 9.625 356 1HA GLY 52 1HA GLY 52 -1.919 -8.979 10.327 357 2HA GLY 52 2HA GLY 52 -2.952 -8.085 11.444 Start of MODEL 12 1 H GLY 6 H GLY 6 -8.022 12.289 0.606 2 1HA GLY 6 1HA GLY 6 -6.897 10.908 2.129 3 2HA GLY 6 2HA GLY 6 -8.079 11.525 3.282 4 H ASN 7 H ASN 7 -7.162 8.787 1.353 5 HA ASN 7 HA ASN 7 -9.445 7.302 2.494 6 1HB ASN 7 1HB ASN 7 -8.021 6.575 -0.042 7 2HB ASN 7 2HB ASN 7 -9.528 5.933 0.559 8 1HD2 ASN 7 1HD2 ASN 7 -11.336 9.023 -0.252 9 2HD2 ASN 7 2HD2 ASN 7 -11.193 7.937 1.045 10 H PHE 8 H PHE 8 -8.960 5.028 2.954 11 HA PHE 8 HA PHE 8 -6.131 4.706 3.801 12 1HB PHE 8 1HB PHE 8 -8.740 3.569 4.658 13 2HB PHE 8 2HB PHE 8 -7.363 2.468 4.719 14 HD1 PHE 8 HD1 PHE 8 -5.417 2.958 6.142 15 HD2 PHE 8 HD2 PHE 8 -8.854 5.532 6.081 16 HE1 PHE 8 HE1 PHE 8 -4.627 4.062 8.217 17 HE2 PHE 8 HE2 PHE 8 -8.065 6.636 8.157 18 HZ PHE 8 HZ PHE 8 -5.951 5.901 9.224 19 H TYR 9 H TYR 9 -4.840 3.032 2.934 20 HA TYR 9 HA TYR 9 -6.156 1.309 0.893 21 1HB TYR 9 1HB TYR 9 -4.728 3.553 0.164 22 2HB TYR 9 2HB TYR 9 -3.541 2.256 0.016 23 HD1 TYR 9 HD1 TYR 9 -5.253 -0.037 -0.675 24 HD2 TYR 9 HD2 TYR 9 -5.353 4.022 -2.067 25 HE1 TYR 9 HE1 TYR 9 -6.315 -0.782 -2.778 26 HE2 TYR 9 HE2 TYR 9 -6.413 3.273 -4.180 27 HH TYR 9 HH TYR 9 -6.374 0.846 -5.494 28 H ALA 10 H ALA 10 -5.685 -0.731 1.625 29 HA ALA 10 HA ALA 10 -3.171 -1.248 3.038 30 1HB ALA 10 1HB ALA 10 -5.326 -3.117 1.983 31 2HB ALA 10 2HB ALA 10 -3.950 -3.635 2.957 32 3HB ALA 10 3HB ALA 10 -5.162 -2.555 3.646 33 H VAL 11 H VAL 11 -1.507 -0.812 1.575 34 HA VAL 11 HA VAL 11 -1.369 -2.575 -0.829 35 HB VAL 11 HB VAL 11 -0.817 0.385 -0.920 36 1HG1 VAL 11 1HG1 VAL 11 -1.093 -1.831 -2.910 37 2HG1 VAL 11 2HG1 VAL 11 -1.357 -0.157 -3.390 38 3HG1 VAL 11 3HG1 VAL 11 0.211 -0.658 -2.742 39 1HG2 VAL 11 1HG2 VAL 11 -3.379 -1.138 -1.337 40 2HG2 VAL 11 2HG2 VAL 11 -3.107 0.318 -0.381 41 3HG2 VAL 11 3HG2 VAL 11 -3.093 0.406 -2.144 42 H ARG 12 H ARG 12 0.761 -2.860 -1.655 43 HA ARG 12 HA ARG 12 3.104 -1.589 -1.268 44 1HB ARG 12 1HB ARG 12 2.810 -1.461 1.126 45 2HB ARG 12 2HB ARG 12 2.497 -3.186 1.220 46 1HG ARG 12 1HG ARG 12 4.724 -3.723 1.068 47 2HG ARG 12 2HG ARG 12 5.075 -2.375 -0.014 48 1HD ARG 12 1HD ARG 12 4.319 -1.132 2.360 49 2HD ARG 12 2HD ARG 12 5.277 -2.511 2.898 50 HE ARG 12 HE ARG 12 7.180 -1.426 2.033 51 1HH1 ARG 12 1HH1 ARG 12 4.674 0.711 1.746 52 2HH1 ARG 12 2HH1 ARG 12 5.289 1.557 0.363 53 1HH2 ARG 12 1HH2 ARG 12 7.827 -0.728 -0.237 54 2HH2 ARG 12 2HH2 ARG 12 7.073 0.743 -0.759 55 H LYS 13 H LYS 13 1.818 -3.709 -2.851 56 HA LYS 13 HA LYS 13 2.440 -5.690 -3.962 57 1HB LYS 13 1HB LYS 13 4.480 -4.517 -4.488 58 2HB LYS 13 2HB LYS 13 5.110 -4.776 -2.862 59 1HG LYS 13 1HG LYS 13 5.273 -7.158 -3.229 60 2HG LYS 13 2HG LYS 13 4.442 -7.024 -4.779 61 1HD LYS 13 1HD LYS 13 6.363 -6.521 -5.838 62 2HD LYS 13 2HD LYS 13 6.711 -5.228 -4.691 63 1HE LYS 13 1HE LYS 13 8.140 -6.518 -3.492 64 2HE LYS 13 2HE LYS 13 7.081 -7.925 -3.578 65 1HZ LYS 13 1HZ LYS 13 7.864 -7.767 -6.102 66 2HZ LYS 13 2HZ LYS 13 9.237 -7.116 -5.351 67 3HZ LYS 13 3HZ LYS 13 8.699 -8.671 -4.932 68 H GLY 14 H GLY 14 3.263 -7.952 -3.524 69 1HA GLY 14 1HA GLY 14 3.641 -9.798 -2.091 70 2HA GLY 14 2HA GLY 14 3.816 -8.674 -0.744 71 H ARG 15 H ARG 15 2.445 -10.234 0.448 72 HA ARG 15 HA ARG 15 -0.409 -10.266 -0.372 73 1HB ARG 15 1HB ARG 15 1.170 -12.237 0.663 74 2HB ARG 15 2HB ARG 15 0.401 -11.624 2.128 75 1HG ARG 15 1HG ARG 15 -1.640 -11.756 0.184 76 2HG ARG 15 2HG ARG 15 -0.736 -13.264 0.038 77 1HD ARG 15 1HD ARG 15 -0.951 -12.851 2.796 78 2HD ARG 15 2HD ARG 15 -2.531 -12.396 2.159 79 HE ARG 15 HE ARG 15 -1.561 -15.075 2.360 80 1HH1 ARG 15 1HH1 ARG 15 -3.757 -12.987 0.824 81 2HH1 ARG 15 2HH1 ARG 15 -4.373 -14.183 -0.266 82 1HH2 ARG 15 1HH2 ARG 15 -2.084 -16.607 0.683 83 2HH2 ARG 15 2HH2 ARG 15 -3.425 -16.232 -0.347 84 H GLU 16 H GLU 16 1.325 -9.833 2.739 85 HA GLU 16 HA GLU 16 -0.835 -8.480 4.013 86 1HB GLU 16 1HB GLU 16 1.139 -7.529 5.468 87 2HB GLU 16 2HB GLU 16 0.766 -9.252 5.522 88 1HG GLU 16 1HG GLU 16 2.595 -8.605 3.343 89 2HG GLU 16 2HG GLU 16 3.244 -8.129 4.911 90 H THR 17 H THR 17 2.023 -7.188 2.304 91 HA THR 17 HA THR 17 2.373 -5.073 1.355 92 HB THR 17 HB THR 17 0.549 -4.083 0.308 93 HG1 THR 17 HG1 THR 17 -0.760 -4.746 2.694 94 1HG2 THR 17 1HG2 THR 17 0.562 -6.848 0.406 95 2HG2 THR 17 2HG2 THR 17 -1.113 -6.445 0.783 96 3HG2 THR 17 3HG2 THR 17 -0.383 -5.869 -0.715 97 H GLY 18 H GLY 18 0.686 -2.705 1.993 98 1HA GLY 18 1HA GLY 18 1.220 -2.413 4.918 99 2HA GLY 18 2HA GLY 18 1.880 -1.219 3.793 100 H ILE 19 H ILE 19 0.451 0.371 4.958 101 HA ILE 19 HA ILE 19 -2.170 0.403 3.670 102 HB ILE 19 HB ILE 19 -1.965 0.919 6.628 103 1HG1 ILE 19 1HG1 ILE 19 -2.486 -1.595 5.065 104 2HG1 ILE 19 2HG1 ILE 19 -1.490 -1.380 6.499 105 1HG2 ILE 19 1HG2 ILE 19 -3.829 1.834 5.008 106 2HG2 ILE 19 2HG2 ILE 19 -4.422 0.175 5.059 107 3HG2 ILE 19 3HG2 ILE 19 -4.297 1.112 6.546 108 1HD1 ILE 19 1HD1 ILE 19 -4.109 -0.639 7.248 109 2HD1 ILE 19 2HD1 ILE 19 -4.262 -2.120 6.304 110 3HD1 ILE 19 3HD1 ILE 19 -3.230 -2.088 7.730 111 H TYR 20 H TYR 20 -2.721 2.388 2.978 112 HA TYR 20 HA TYR 20 -1.095 4.704 3.952 113 1HB TYR 20 1HB TYR 20 -2.734 4.380 1.452 114 2HB TYR 20 2HB TYR 20 -1.828 5.819 1.863 115 HD1 TYR 20 HD1 TYR 20 0.720 5.520 2.334 116 HD2 TYR 20 HD2 TYR 20 -1.659 2.657 0.191 117 HE1 TYR 20 HE1 TYR 20 2.772 4.586 1.300 118 HE2 TYR 20 HE2 TYR 20 0.392 1.736 -0.862 119 HH TYR 20 HH TYR 20 3.059 1.752 0.016 120 H ASN 21 H ASN 21 -2.580 6.809 3.506 121 HA ASN 21 HA ASN 21 -5.391 6.431 4.143 122 1HB ASN 21 1HB ASN 21 -4.281 5.960 6.240 123 2HB ASN 21 2HB ASN 21 -3.381 7.466 6.111 124 1HD2 ASN 21 1HD2 ASN 21 -7.358 8.321 6.350 125 2HD2 ASN 21 2HD2 ASN 21 -6.720 7.451 5.040 126 H THR 22 H THR 22 -4.803 7.705 2.000 127 HA THR 22 HA THR 22 -5.171 10.530 2.559 128 HB THR 22 HB THR 22 -2.874 9.948 0.759 129 HG1 THR 22 HG1 THR 22 -2.526 10.199 3.548 130 1HG2 THR 22 1HG2 THR 22 -3.946 12.172 2.383 131 2HG2 THR 22 2HG2 THR 22 -2.189 12.067 2.270 132 3HG2 THR 22 3HG2 THR 22 -3.161 12.199 0.801 133 H TRP 23 H TRP 23 -5.518 11.732 0.463 134 HA TRP 23 HA TRP 23 -6.967 10.019 -1.426 135 1HB TRP 23 1HB TRP 23 -8.021 12.097 -1.240 136 2HB TRP 23 2HB TRP 23 -6.496 12.971 -1.125 137 HD1 TRP 23 HD1 TRP 23 -6.548 14.532 -3.169 138 HE1 TRP 23 HE1 TRP 23 -6.792 14.186 -5.713 139 HE3 TRP 23 HE3 TRP 23 -7.758 9.575 -3.265 140 HZ2 TRP 23 HZ2 TRP 23 -7.412 12.074 -7.546 141 HZ3 TRP 23 HZ3 TRP 23 -8.171 8.421 -5.419 142 HH2 TRP 23 HH2 TRP 23 -8.002 9.664 -7.557 143 H ASN 24 H ASN 24 -4.138 12.158 -1.452 144 HA ASN 24 HA ASN 24 -3.261 11.458 -4.059 145 1HB ASN 24 1HB ASN 24 -1.945 12.745 -1.691 146 2HB ASN 24 2HB ASN 24 -1.013 12.350 -3.134 147 1HD2 ASN 24 1HD2 ASN 24 -2.211 15.777 -3.734 148 2HD2 ASN 24 2HD2 ASN 24 -1.075 14.997 -2.743 149 H GLU 25 H GLU 25 -2.084 10.414 -0.845 150 HA GLU 25 HA GLU 25 -0.159 8.573 -1.696 151 1HB GLU 25 1HB GLU 25 -2.112 8.304 0.604 152 2HB GLU 25 2HB GLU 25 -0.628 7.369 0.426 153 1HG GLU 25 1HG GLU 25 -0.825 10.384 0.692 154 2HG GLU 25 2HG GLU 25 -0.232 9.270 1.923 155 H CYS 26 H CYS 26 -3.671 8.343 -1.731 156 HA CYS 26 HA CYS 26 -3.817 5.517 -2.283 157 1HB CYS 26 1HB CYS 26 -5.794 6.574 -1.493 158 2HB CYS 26 2HB CYS 26 -5.709 7.818 -2.744 159 HG CYS 26 HG CYS 26 -6.038 5.607 -4.435 160 H LYS 27 H LYS 27 -3.998 8.322 -4.401 161 HA LYS 27 HA LYS 27 -3.877 6.689 -6.774 162 1HB LYS 27 1HB LYS 27 -4.211 9.448 -5.983 163 2HB LYS 27 2HB LYS 27 -3.205 9.312 -7.438 164 1HG LYS 27 1HG LYS 27 -5.044 7.683 -8.285 165 2HG LYS 27 2HG LYS 27 -6.045 8.370 -7.006 166 1HD LYS 27 1HD LYS 27 -5.770 10.606 -7.923 167 2HD LYS 27 2HD LYS 27 -4.636 10.007 -9.134 168 1HE LYS 27 1HE LYS 27 -7.295 8.677 -9.032 169 2HE LYS 27 2HE LYS 27 -7.260 10.328 -9.651 170 1HZ LYS 27 1HZ LYS 27 -5.141 8.683 -10.672 171 2HZ LYS 27 2HZ LYS 27 -6.684 8.098 -11.076 172 3HZ LYS 27 3HZ LYS 27 -6.234 9.680 -11.503 173 H ASN 28 H ASN 28 -1.597 8.856 -5.075 174 HA ASN 28 HA ASN 28 0.629 8.580 -6.767 175 1HB ASN 28 1HB ASN 28 0.725 10.092 -4.880 176 2HB ASN 28 2HB ASN 28 0.503 8.760 -3.744 177 1HD2 ASN 28 1HD2 ASN 28 4.157 9.174 -5.590 178 2HD2 ASN 28 2HD2 ASN 28 2.777 9.828 -6.331 179 H GLN 29 H GLN 29 -0.343 6.495 -4.037 180 HA GLN 29 HA GLN 29 1.767 4.593 -4.408 181 1HB GLN 29 1HB GLN 29 0.607 3.242 -2.830 182 2HB GLN 29 2HB GLN 29 0.240 4.904 -2.359 183 1HG GLN 29 1HG GLN 29 -1.858 4.796 -3.627 184 2HG GLN 29 2HG GLN 29 -1.504 3.134 -4.079 185 1HE2 GLN 29 1HE2 GLN 29 -2.845 3.971 -0.316 186 2HE2 GLN 29 2HE2 GLN 29 -2.315 5.226 -1.315 187 H VAL 30 H VAL 30 -1.530 4.855 -5.704 188 HA VAL 30 HA VAL 30 -0.741 2.824 -7.732 189 HB VAL 30 HB VAL 30 -2.994 1.756 -7.472 190 1HG1 VAL 30 1HG1 VAL 30 -0.963 1.791 -5.233 191 2HG1 VAL 30 2HG1 VAL 30 -2.393 0.763 -5.128 192 3HG1 VAL 30 3HG1 VAL 30 -1.244 0.541 -6.448 193 1HG2 VAL 30 1HG2 VAL 30 -3.993 3.775 -6.325 194 2HG2 VAL 30 2HG2 VAL 30 -4.316 2.243 -5.514 195 3HG2 VAL 30 3HG2 VAL 30 -3.075 3.327 -4.890 196 H ASP 31 H ASP 31 -0.578 5.016 -8.865 197 HA ASP 31 HA ASP 31 -3.267 5.782 -9.937 198 1HB ASP 31 1HB ASP 31 -2.472 7.688 -8.748 199 2HB ASP 31 2HB ASP 31 -0.827 7.467 -9.344 200 H GLY 32 H GLY 32 -3.083 4.273 -11.684 201 1HA GLY 32 1HA GLY 32 -2.601 4.466 -14.126 202 2HA GLY 32 2HA GLY 32 -0.980 5.004 -13.682 203 H TYR 33 H TYR 33 -2.421 2.451 -11.838 204 HA TYR 33 HA TYR 33 -0.494 0.578 -13.050 205 1HB TYR 33 1HB TYR 33 -1.754 0.660 -10.302 206 2HB TYR 33 2HB TYR 33 -0.767 -0.686 -10.879 207 HD1 TYR 33 HD1 TYR 33 -0.586 3.069 -10.977 208 HD2 TYR 33 HD2 TYR 33 1.451 -0.627 -10.178 209 HE1 TYR 33 HE1 TYR 33 1.466 4.327 -10.420 210 HE2 TYR 33 HE2 TYR 33 3.510 0.634 -9.613 211 HH TYR 33 HH TYR 33 3.903 3.213 -8.721 212 H GLY 34 H GLY 34 -1.334 -0.991 -14.312 213 1HA GLY 34 1HA GLY 34 -4.103 -1.349 -14.774 214 2HA GLY 34 2HA GLY 34 -2.863 -2.523 -15.209 215 H GLY 35 H GLY 35 -2.154 -4.032 -13.464 216 1HA GLY 35 1HA GLY 35 -4.433 -4.588 -11.609 217 2HA GLY 35 2HA GLY 35 -3.376 -5.831 -12.275 218 H ALA 36 H ALA 36 -2.588 -2.705 -10.723 219 HA ALA 36 HA ALA 36 -0.327 -3.648 -9.309 220 1HB ALA 36 1HB ALA 36 -1.858 -1.249 -9.392 221 2HB ALA 36 2HB ALA 36 -1.719 -1.722 -7.695 222 3HB ALA 36 3HB ALA 36 -0.265 -1.485 -8.671 223 H ILE 37 H ILE 37 -0.150 -4.039 -6.932 224 HA ILE 37 HA ILE 37 -2.419 -5.700 -6.016 225 HB ILE 37 HB ILE 37 0.284 -6.073 -5.676 226 1HG1 ILE 37 1HG1 ILE 37 -1.566 -7.701 -5.329 227 2HG1 ILE 37 2HG1 ILE 37 -0.390 -7.759 -4.012 228 1HG2 ILE 37 1HG2 ILE 37 -0.785 -4.827 -3.122 229 2HG2 ILE 37 2HG2 ILE 37 0.739 -5.707 -3.255 230 3HG2 ILE 37 3HG2 ILE 37 0.522 -4.186 -4.122 231 1HD1 ILE 37 1HD1 ILE 37 -2.194 -5.760 -3.237 232 2HD1 ILE 37 2HD1 ILE 37 -3.212 -7.026 -3.924 233 3HD1 ILE 37 3HD1 ILE 37 -2.117 -7.404 -2.594 234 H TYR 38 H TYR 38 -3.834 -4.972 -4.478 235 HA TYR 38 HA TYR 38 -3.158 -3.128 -2.449 236 1HB TYR 38 1HB TYR 38 -4.219 -1.100 -3.226 237 2HB TYR 38 2HB TYR 38 -2.928 -1.548 -4.321 238 HD1 TYR 38 HD1 TYR 38 -6.630 -2.153 -3.880 239 HD2 TYR 38 HD2 TYR 38 -3.358 -1.525 -6.595 240 HE1 TYR 38 HE1 TYR 38 -8.210 -2.156 -5.779 241 HE2 TYR 38 HE2 TYR 38 -4.943 -1.531 -8.498 242 HH TYR 38 HH TYR 38 -7.056 -1.753 -9.132 243 H LYS 39 H LYS 39 -4.844 -2.718 -1.037 244 HA LYS 39 HA LYS 39 -7.502 -3.878 -1.734 245 1HB LYS 39 1HB LYS 39 -5.635 -4.666 0.397 246 2HB LYS 39 2HB LYS 39 -7.249 -4.279 0.997 247 1HG LYS 39 1HG LYS 39 -7.439 -6.554 0.453 248 2HG LYS 39 2HG LYS 39 -8.078 -5.757 -0.986 249 1HD LYS 39 1HD LYS 39 -5.949 -6.006 -2.135 250 2HD LYS 39 2HD LYS 39 -5.199 -6.661 -0.678 251 1HE LYS 39 1HE LYS 39 -6.865 -8.540 -0.739 252 2HE LYS 39 2HE LYS 39 -7.439 -7.922 -2.288 253 1HZ LYS 39 1HZ LYS 39 -4.622 -8.125 -2.305 254 2HZ LYS 39 2HZ LYS 39 -5.295 -9.614 -1.842 255 3HZ LYS 39 3HZ LYS 39 -5.754 -8.898 -3.310 256 H LYS 40 H LYS 40 -8.202 -1.709 -2.103 257 HA LYS 40 HA LYS 40 -7.795 0.568 -0.626 258 1HB LYS 40 1HB LYS 40 -9.782 -0.333 -2.456 259 2HB LYS 40 2HB LYS 40 -10.594 0.500 -1.126 260 1HG LYS 40 1HG LYS 40 -8.364 2.068 -1.575 261 2HG LYS 40 2HG LYS 40 -8.847 1.588 -3.207 262 1HD LYS 40 1HD LYS 40 -11.242 2.202 -1.875 263 2HD LYS 40 2HD LYS 40 -10.112 3.470 -1.402 264 1HE LYS 40 1HE LYS 40 -9.519 3.484 -3.975 265 2HE LYS 40 2HE LYS 40 -11.118 2.758 -4.137 266 1HZ LYS 40 1HZ LYS 40 -10.863 5.107 -2.419 267 2HZ LYS 40 2HZ LYS 40 -10.771 5.353 -4.095 268 3HZ LYS 40 3HZ LYS 40 -12.150 4.627 -3.418 269 H PHE 41 H PHE 41 -8.795 1.575 1.160 270 HA PHE 41 HA PHE 41 -10.596 0.026 2.884 271 1HB PHE 41 1HB PHE 41 -7.703 0.120 3.275 272 2HB PHE 41 2HB PHE 41 -8.647 0.581 4.701 273 HD1 PHE 41 HD1 PHE 41 -10.843 -0.911 5.041 274 HD2 PHE 41 HD2 PHE 41 -7.286 -2.168 2.991 275 HE1 PHE 41 HE1 PHE 41 -11.473 -3.273 5.405 276 HE2 PHE 41 HE2 PHE 41 -7.911 -4.540 3.366 277 HZ PHE 41 HZ PHE 41 -10.006 -5.095 4.573 278 H ASN 42 H ASN 42 -11.214 1.266 4.806 279 HA ASN 42 HA ASN 42 -10.614 4.178 4.632 280 1HB ASN 42 1HB ASN 42 -12.722 3.788 3.463 281 2HB ASN 42 2HB ASN 42 -13.329 2.863 4.834 282 1HD2 ASN 42 1HD2 ASN 42 -13.228 6.961 5.045 283 2HD2 ASN 42 2HD2 ASN 42 -12.381 6.157 3.814 284 H SER 43 H SER 43 -9.526 2.251 6.422 285 HA SER 43 HA SER 43 -9.984 3.454 8.941 286 1HB SER 43 1HB SER 43 -11.887 2.457 9.638 287 2HB SER 43 2HB SER 43 -11.945 1.461 8.188 288 HG SER 43 HG SER 43 -10.614 0.966 10.639 289 H TYR 44 H TYR 44 -7.772 3.275 9.144 290 HA TYR 44 HA TYR 44 -5.955 1.345 8.512 291 1HB TYR 44 1HB TYR 44 -5.563 3.452 9.889 292 2HB TYR 44 2HB TYR 44 -6.047 2.517 11.302 293 HD1 TYR 44 HD1 TYR 44 -3.966 1.662 8.289 294 HD2 TYR 44 HD2 TYR 44 -4.170 1.995 12.567 295 HE1 TYR 44 HE1 TYR 44 -1.666 0.756 8.469 296 HE2 TYR 44 HE2 TYR 44 -1.869 1.088 12.748 297 HH TYR 44 HH TYR 44 0.253 1.092 10.924 298 H GLU 45 H GLU 45 -8.432 1.036 10.979 299 HA GLU 45 HA GLU 45 -7.355 -1.351 12.204 300 1HB GLU 45 1HB GLU 45 -10.266 -0.533 12.156 301 2HB GLU 45 2HB GLU 45 -9.422 -1.468 13.391 302 1HG GLU 45 1HG GLU 45 -7.994 0.961 13.119 303 2HG GLU 45 2HG GLU 45 -9.704 1.392 13.182 304 H GLN 46 H GLN 46 -9.718 -0.772 9.597 305 HA GLN 46 HA GLN 46 -10.327 -3.561 9.301 306 1HB GLN 46 1HB GLN 46 -10.754 -1.224 7.429 307 2HB GLN 46 2HB GLN 46 -11.416 -2.841 7.182 308 1HG GLN 46 1HG GLN 46 -11.968 -1.826 9.861 309 2HG GLN 46 2HG GLN 46 -12.639 -0.787 8.604 310 1HE2 GLN 46 1HE2 GLN 46 -14.883 -3.801 9.470 311 2HE2 GLN 46 2HE2 GLN 46 -13.985 -2.794 10.500 312 H ALA 47 H ALA 47 -8.455 -1.231 7.466 313 HA ALA 47 HA ALA 47 -7.337 -2.956 5.572 314 1HB ALA 47 1HB ALA 47 -7.084 -0.462 5.605 315 2HB ALA 47 2HB ALA 47 -5.937 -0.640 6.932 316 3HB ALA 47 3HB ALA 47 -5.554 -1.301 5.339 317 H LYS 48 H LYS 48 -6.195 -2.183 8.851 318 HA LYS 48 HA LYS 48 -3.840 -3.825 8.774 319 1HB LYS 48 1HB LYS 48 -5.455 -2.501 10.857 320 2HB LYS 48 2HB LYS 48 -4.640 -3.965 11.398 321 1HG LYS 48 1HG LYS 48 -2.884 -2.337 9.752 322 2HG LYS 48 2HG LYS 48 -3.487 -1.428 11.139 323 1HD LYS 48 1HD LYS 48 -2.860 -3.449 12.569 324 2HD LYS 48 2HD LYS 48 -1.996 -4.061 11.158 325 1HE LYS 48 1HE LYS 48 -1.039 -1.531 11.224 326 2HE LYS 48 2HE LYS 48 -1.331 -1.785 12.943 327 1HZ LYS 48 1HZ LYS 48 -0.099 -3.932 12.680 328 2HZ LYS 48 2HZ LYS 48 0.358 -3.411 11.131 329 3HZ LYS 48 3HZ LYS 48 0.847 -2.532 12.500 330 H SER 49 H SER 49 -6.972 -4.535 10.335 331 HA SER 49 HA SER 49 -6.630 -7.183 10.976 332 1HB SER 49 1HB SER 49 -8.786 -5.527 10.860 333 2HB SER 49 2HB SER 49 -9.164 -6.634 9.541 334 HG SER 49 HG SER 49 -8.264 -7.620 12.017 335 H PHE 50 H PHE 50 -7.228 -5.850 7.741 336 HA PHE 50 HA PHE 50 -7.352 -8.479 6.492 337 1HB PHE 50 1HB PHE 50 -8.339 -6.181 5.673 338 2HB PHE 50 2HB PHE 50 -6.734 -5.969 4.970 339 HD1 PHE 50 HD1 PHE 50 -5.905 -7.480 3.224 340 HD2 PHE 50 HD2 PHE 50 -9.835 -7.934 4.893 341 HE1 PHE 50 HE1 PHE 50 -6.521 -8.996 1.359 342 HE2 PHE 50 HE2 PHE 50 -10.453 -9.447 3.030 343 HZ PHE 50 HZ PHE 50 -8.796 -9.978 1.262 344 H LEU 51 H LEU 51 -4.865 -6.006 7.008 345 HA LEU 51 HA LEU 51 -2.907 -6.915 5.256 346 1HB LEU 51 1HB LEU 51 -2.996 -5.270 7.632 347 2HB LEU 51 2HB LEU 51 -1.533 -6.247 7.609 348 HG LEU 51 HG LEU 51 -0.954 -5.438 5.397 349 1HD1 LEU 51 1HD1 LEU 51 -3.772 -4.703 5.382 350 2HD1 LEU 51 2HD1 LEU 51 -2.743 -3.369 4.865 351 3HD1 LEU 51 3HD1 LEU 51 -2.663 -4.916 4.027 352 1HD2 LEU 51 1HD2 LEU 51 -1.814 -3.218 7.276 353 2HD2 LEU 51 2HD2 LEU 51 -0.234 -3.999 7.217 354 3HD2 LEU 51 3HD2 LEU 51 -0.764 -2.979 5.878 355 H GLY 52 H GLY 52 -3.883 -8.229 8.368 356 1HA GLY 52 1HA GLY 52 -3.493 -10.811 8.230 357 2HA GLY 52 2HA GLY 52 -1.801 -10.333 8.116 Start of MODEL 13 1 H GLY 6 H GLY 6 -8.087 12.415 0.827 2 1HA GLY 6 1HA GLY 6 -6.690 10.988 2.082 3 2HA GLY 6 2HA GLY 6 -7.658 11.577 3.434 4 H ASN 7 H ASN 7 -7.153 8.893 1.246 5 HA ASN 7 HA ASN 7 -9.336 7.427 2.590 6 1HB ASN 7 1HB ASN 7 -7.853 6.803 0.046 7 2HB ASN 7 2HB ASN 7 -9.117 5.810 0.737 8 1HD2 ASN 7 1HD2 ASN 7 -11.621 8.476 0.129 9 2HD2 ASN 7 2HD2 ASN 7 -11.096 7.557 1.456 10 H PHE 8 H PHE 8 -8.833 5.021 2.843 11 HA PHE 8 HA PHE 8 -6.080 4.742 3.965 12 1HB PHE 8 1HB PHE 8 -8.716 3.407 4.595 13 2HB PHE 8 2HB PHE 8 -7.193 2.643 5.045 14 HD1 PHE 8 HD1 PHE 8 -5.644 3.757 6.638 15 HD2 PHE 8 HD2 PHE 8 -9.509 5.391 5.719 16 HE1 PHE 8 HE1 PHE 8 -5.498 5.226 8.631 17 HE2 PHE 8 HE2 PHE 8 -9.363 6.858 7.711 18 HZ PHE 8 HZ PHE 8 -7.357 6.777 9.168 19 H TYR 9 H TYR 9 -4.729 3.138 3.024 20 HA TYR 9 HA TYR 9 -6.110 1.374 1.055 21 1HB TYR 9 1HB TYR 9 -4.518 3.565 0.336 22 2HB TYR 9 2HB TYR 9 -3.562 2.117 -0.007 23 HD1 TYR 9 HD1 TYR 9 -5.106 0.081 -0.883 24 HD2 TYR 9 HD2 TYR 9 -5.899 4.270 -1.414 25 HE1 TYR 9 HE1 TYR 9 -6.547 -0.435 -2.835 26 HE2 TYR 9 HE2 TYR 9 -7.345 3.750 -3.363 27 HH TYR 9 HH TYR 9 -7.502 1.816 -5.066 28 H ALA 10 H ALA 10 -5.688 -0.663 1.568 29 HA ALA 10 HA ALA 10 -3.239 -1.391 3.010 30 1HB ALA 10 1HB ALA 10 -5.709 -2.806 2.093 31 2HB ALA 10 2HB ALA 10 -4.265 -3.777 2.379 32 3HB ALA 10 3HB ALA 10 -4.951 -2.812 3.686 33 H VAL 11 H VAL 11 -1.524 -0.928 1.510 34 HA VAL 11 HA VAL 11 -1.570 -2.658 -0.930 35 HB VAL 11 HB VAL 11 -0.679 0.220 -0.889 36 1HG1 VAL 11 1HG1 VAL 11 0.240 -1.219 -2.668 37 2HG1 VAL 11 2HG1 VAL 11 -1.401 -1.675 -3.133 38 3HG1 VAL 11 3HG1 VAL 11 -0.870 -0.004 -3.314 39 1HG2 VAL 11 1HG2 VAL 11 -3.366 -1.041 -1.299 40 2HG2 VAL 11 2HG2 VAL 11 -2.947 0.450 -0.464 41 3HG2 VAL 11 3HG2 VAL 11 -2.942 0.398 -2.227 42 H ARG 12 H ARG 12 0.367 -3.474 -1.591 43 HA ARG 12 HA ARG 12 2.935 -2.518 -1.313 44 1HB ARG 12 1HB ARG 12 1.994 -3.037 1.245 45 2HB ARG 12 2HB ARG 12 2.940 -4.461 0.852 46 1HG ARG 12 1HG ARG 12 4.814 -3.296 1.288 47 2HG ARG 12 2HG ARG 12 4.434 -2.257 -0.085 48 1HD ARG 12 1HD ARG 12 2.739 -1.332 1.918 49 2HD ARG 12 2HD ARG 12 4.238 -1.692 2.775 50 HE ARG 12 HE ARG 12 4.549 -0.141 0.292 51 1HH1 ARG 12 1HH1 ARG 12 3.194 0.536 3.262 52 2HH1 ARG 12 2HH1 ARG 12 4.323 1.772 3.706 53 1HH2 ARG 12 1HH2 ARG 12 6.454 1.153 1.042 54 2HH2 ARG 12 2HH2 ARG 12 6.168 2.123 2.448 55 H LYS 13 H LYS 13 1.371 -4.221 -3.002 56 HA LYS 13 HA LYS 13 1.705 -6.151 -4.301 57 1HB LYS 13 1HB LYS 13 4.225 -6.562 -2.670 58 2HB LYS 13 2HB LYS 13 3.882 -7.166 -4.292 59 1HG LYS 13 1HG LYS 13 3.528 -4.320 -4.277 60 2HG LYS 13 2HG LYS 13 5.101 -4.699 -3.575 61 1HD LYS 13 1HD LYS 13 4.761 -6.415 -5.813 62 2HD LYS 13 2HD LYS 13 4.310 -4.791 -6.334 63 1HE LYS 13 1HE LYS 13 6.840 -5.328 -4.770 64 2HE LYS 13 2HE LYS 13 6.794 -5.397 -6.532 65 1HZ LYS 13 1HZ LYS 13 5.529 -3.075 -5.989 66 2HZ LYS 13 2HZ LYS 13 6.723 -3.113 -4.783 67 3HZ LYS 13 3HZ LYS 13 7.167 -3.216 -6.420 68 H GLY 14 H GLY 14 3.163 -8.534 -3.085 69 1HA GLY 14 1HA GLY 14 1.071 -9.278 -1.080 70 2HA GLY 14 2HA GLY 14 1.586 -10.397 -2.344 71 H ARG 15 H ARG 15 2.988 -8.426 0.296 72 HA ARG 15 HA ARG 15 4.328 -10.682 1.469 73 1HB ARG 15 1HB ARG 15 5.650 -9.529 -0.773 74 2HB ARG 15 2HB ARG 15 6.551 -9.053 0.667 75 1HG ARG 15 1HG ARG 15 6.291 -11.555 1.361 76 2HG ARG 15 2HG ARG 15 5.947 -11.821 -0.349 77 1HD ARG 15 1HD ARG 15 8.154 -10.223 -0.510 78 2HD ARG 15 2HD ARG 15 8.494 -11.115 0.973 79 HE ARG 15 HE ARG 15 7.629 -12.820 -1.238 80 1HH1 ARG 15 1HH1 ARG 15 9.882 -12.473 1.146 81 2HH1 ARG 15 2HH1 ARG 15 11.247 -13.001 0.220 82 1HH2 ARG 15 1HH2 ARG 15 9.539 -12.971 -2.800 83 2HH2 ARG 15 2HH2 ARG 15 11.052 -13.285 -2.017 84 H GLU 16 H GLU 16 4.357 -7.163 0.982 85 HA GLU 16 HA GLU 16 4.662 -6.873 3.941 86 1HB GLU 16 1HB GLU 16 6.266 -5.647 1.743 87 2HB GLU 16 2HB GLU 16 5.865 -4.619 3.119 88 1HG GLU 16 1HG GLU 16 6.643 -6.908 4.392 89 2HG GLU 16 2HG GLU 16 7.688 -6.939 2.971 90 H THR 17 H THR 17 2.195 -6.890 2.631 91 HA THR 17 HA THR 17 1.071 -4.639 1.554 92 HB THR 17 HB THR 17 -0.412 -6.411 2.010 93 HG1 THR 17 HG1 THR 17 -2.033 -5.375 3.043 94 1HG2 THR 17 1HG2 THR 17 0.813 -6.270 4.732 95 2HG2 THR 17 2HG2 THR 17 -0.833 -6.889 4.592 96 3HG2 THR 17 3HG2 THR 17 0.483 -7.677 3.721 97 H GLY 18 H GLY 18 0.534 -2.549 2.212 98 1HA GLY 18 1HA GLY 18 1.229 -1.829 5.039 99 2HA GLY 18 2HA GLY 18 1.724 -0.807 3.683 100 H ILE 19 H ILE 19 0.184 0.602 5.330 101 HA ILE 19 HA ILE 19 -2.400 0.601 3.942 102 HB ILE 19 HB ILE 19 -2.125 0.834 6.935 103 1HG1 ILE 19 1HG1 ILE 19 -2.953 -1.358 5.039 104 2HG1 ILE 19 2HG1 ILE 19 -1.869 -1.453 6.424 105 1HG2 ILE 19 1HG2 ILE 19 -3.973 2.091 5.447 106 2HG2 ILE 19 2HG2 ILE 19 -4.727 0.498 5.502 107 3HG2 ILE 19 3HG2 ILE 19 -4.378 1.360 7.000 108 1HD1 ILE 19 1HD1 ILE 19 -4.364 -0.602 7.442 109 2HD1 ILE 19 2HD1 ILE 19 -4.707 -1.906 6.307 110 3HD1 ILE 19 3HD1 ILE 19 -3.606 -2.180 7.653 111 H TYR 20 H TYR 20 -2.456 2.519 2.925 112 HA TYR 20 HA TYR 20 -1.115 4.875 4.076 113 1HB TYR 20 1HB TYR 20 -2.976 4.894 1.727 114 2HB TYR 20 2HB TYR 20 -1.633 5.979 2.042 115 HD1 TYR 20 HD1 TYR 20 0.601 4.328 2.686 116 HD2 TYR 20 HD2 TYR 20 -2.503 3.609 -0.189 117 HE1 TYR 20 HE1 TYR 20 2.125 2.839 1.415 118 HE2 TYR 20 HE2 TYR 20 -0.982 2.120 -1.462 119 HH TYR 20 HH TYR 20 1.666 1.953 -1.676 120 H ASN 21 H ASN 21 -2.507 6.946 3.886 121 HA ASN 21 HA ASN 21 -5.327 6.633 4.605 122 1HB ASN 21 1HB ASN 21 -4.356 6.243 6.720 123 2HB ASN 21 2HB ASN 21 -3.114 7.459 6.443 124 1HD2 ASN 21 1HD2 ASN 21 -6.833 9.127 6.915 125 2HD2 ASN 21 2HD2 ASN 21 -6.589 7.911 5.756 126 H THR 22 H THR 22 -4.613 7.795 2.366 127 HA THR 22 HA THR 22 -4.991 10.641 2.807 128 HB THR 22 HB THR 22 -2.637 9.996 1.109 129 HG1 THR 22 HG1 THR 22 -2.196 10.414 3.826 130 1HG2 THR 22 1HG2 THR 22 -3.792 12.268 2.567 131 2HG2 THR 22 2HG2 THR 22 -2.038 12.139 2.694 132 3HG2 THR 22 3HG2 THR 22 -2.802 12.246 1.106 133 H TRP 23 H TRP 23 -5.212 11.796 0.708 134 HA TRP 23 HA TRP 23 -6.666 10.159 -1.241 135 1HB TRP 23 1HB TRP 23 -7.585 12.307 -0.964 136 2HB TRP 23 2HB TRP 23 -6.004 13.075 -0.915 137 HD1 TRP 23 HD1 TRP 23 -5.815 14.561 -2.968 138 HE1 TRP 23 HE1 TRP 23 -6.311 14.300 -5.485 139 HE3 TRP 23 HE3 TRP 23 -7.890 9.906 -2.969 140 HZ2 TRP 23 HZ2 TRP 23 -7.444 12.365 -7.265 141 HZ3 TRP 23 HZ3 TRP 23 -8.674 8.874 -5.085 142 HH2 TRP 23 HH2 TRP 23 -8.451 10.097 -7.230 143 H ASN 24 H ASN 24 -3.742 12.151 -1.136 144 HA ASN 24 HA ASN 24 -2.789 11.497 -3.725 145 1HB ASN 24 1HB ASN 24 -1.355 12.444 -1.239 146 2HB ASN 24 2HB ASN 24 -0.564 12.272 -2.806 147 1HD2 ASN 24 1HD2 ASN 24 -2.085 13.374 -4.662 148 2HD2 ASN 24 2HD2 ASN 24 -2.602 14.944 -4.273 149 H GLU 25 H GLU 25 -1.712 10.305 -0.530 150 HA GLU 25 HA GLU 25 0.067 8.326 -1.298 151 1HB GLU 25 1HB GLU 25 -2.074 8.252 0.842 152 2HB GLU 25 2HB GLU 25 -0.858 6.990 0.675 153 1HG GLU 25 1HG GLU 25 -0.458 9.897 1.378 154 2HG GLU 25 2HG GLU 25 0.033 8.469 2.292 155 H CYS 26 H CYS 26 -3.465 8.173 -1.293 156 HA CYS 26 HA CYS 26 -3.752 5.473 -2.060 157 1HB CYS 26 1HB CYS 26 -5.689 6.585 -1.322 158 2HB CYS 26 2HB CYS 26 -5.435 7.936 -2.425 159 HG CYS 26 HG CYS 26 -5.824 5.715 -4.248 160 H LYS 27 H LYS 27 -4.767 7.841 -4.348 161 HA LYS 27 HA LYS 27 -4.263 6.478 -6.675 162 1HB LYS 27 1HB LYS 27 -4.495 9.238 -5.757 163 2HB LYS 27 2HB LYS 27 -3.675 9.076 -7.321 164 1HG LYS 27 1HG LYS 27 -6.006 7.342 -7.169 165 2HG LYS 27 2HG LYS 27 -6.449 9.022 -6.872 166 1HD LYS 27 1HD LYS 27 -4.724 9.290 -8.982 167 2HD LYS 27 2HD LYS 27 -5.490 7.744 -9.350 168 1HE LYS 27 1HE LYS 27 -7.715 8.977 -8.796 169 2HE LYS 27 2HE LYS 27 -6.773 10.449 -9.028 170 1HZ LYS 27 1HZ LYS 27 -6.383 8.471 -11.083 171 2HZ LYS 27 2HZ LYS 27 -7.974 9.051 -10.996 172 3HZ LYS 27 3HZ LYS 27 -6.687 10.137 -11.221 173 H ASN 28 H ASN 28 -1.993 8.772 -5.121 174 HA ASN 28 HA ASN 28 0.171 8.597 -6.842 175 1HB ASN 28 1HB ASN 28 0.079 9.956 -4.736 176 2HB ASN 28 2HB ASN 28 0.378 8.479 -3.822 177 1HD2 ASN 28 1HD2 ASN 28 3.803 8.219 -4.898 178 2HD2 ASN 28 2HD2 ASN 28 2.472 7.292 -4.397 179 H GLN 29 H GLN 29 -0.681 6.279 -4.270 180 HA GLN 29 HA GLN 29 1.550 4.526 -4.845 181 1HB GLN 29 1HB GLN 29 -1.034 4.124 -3.318 182 2HB GLN 29 2HB GLN 29 0.225 2.900 -3.425 183 1HG GLN 29 1HG GLN 29 0.048 5.046 -1.571 184 2HG GLN 29 2HG GLN 29 1.357 3.882 -1.743 185 1HE2 GLN 29 1HE2 GLN 29 3.548 6.177 -3.346 186 2HE2 GLN 29 2HE2 GLN 29 3.276 4.550 -2.945 187 H VAL 30 H VAL 30 -1.746 4.830 -6.008 188 HA VAL 30 HA VAL 30 -1.129 2.754 -8.041 189 HB VAL 30 HB VAL 30 -3.435 1.786 -7.681 190 1HG1 VAL 30 1HG1 VAL 30 -1.024 1.280 -6.391 191 2HG1 VAL 30 2HG1 VAL 30 -2.189 1.359 -5.070 192 3HG1 VAL 30 3HG1 VAL 30 -2.433 0.215 -6.393 193 1HG2 VAL 30 1HG2 VAL 30 -3.226 3.476 -5.168 194 2HG2 VAL 30 2HG2 VAL 30 -4.404 3.687 -6.464 195 3HG2 VAL 30 3HG2 VAL 30 -4.453 2.241 -5.455 196 H ASP 31 H ASP 31 -0.967 4.849 -9.274 197 HA ASP 31 HA ASP 31 -3.664 5.902 -9.994 198 1HB ASP 31 1HB ASP 31 -2.046 7.584 -9.121 199 2HB ASP 31 2HB ASP 31 -0.950 7.172 -10.438 200 H GLY 32 H GLY 32 -0.816 4.332 -11.127 201 1HA GLY 32 1HA GLY 32 -2.057 4.108 -13.834 202 2HA GLY 32 2HA GLY 32 -0.329 4.424 -13.660 203 H TYR 33 H TYR 33 -2.547 2.163 -11.991 204 HA TYR 33 HA TYR 33 -0.694 -0.007 -12.761 205 1HB TYR 33 1HB TYR 33 -2.294 0.236 -10.202 206 2HB TYR 33 2HB TYR 33 -1.214 -1.097 -10.618 207 HD1 TYR 33 HD1 TYR 33 -1.173 2.648 -10.487 208 HD2 TYR 33 HD2 TYR 33 0.964 -1.009 -9.797 209 HE1 TYR 33 HE1 TYR 33 0.752 3.944 -9.613 210 HE2 TYR 33 HE2 TYR 33 2.891 0.284 -8.916 211 HH TYR 33 HH TYR 33 2.740 3.830 -8.612 212 H GLY 34 H GLY 34 -1.676 -1.360 -14.172 213 1HA GLY 34 1HA GLY 34 -4.424 -1.338 -14.817 214 2HA GLY 34 2HA GLY 34 -3.338 -2.682 -15.168 215 H GLY 35 H GLY 35 -2.859 -4.121 -13.190 216 1HA GLY 35 1HA GLY 35 -5.350 -4.360 -11.547 217 2HA GLY 35 2HA GLY 35 -4.500 -5.765 -12.188 218 H ALA 36 H ALA 36 -3.219 -2.837 -10.581 219 HA ALA 36 HA ALA 36 -1.193 -4.104 -9.134 220 1HB ALA 36 1HB ALA 36 -2.804 -1.622 -8.709 221 2HB ALA 36 2HB ALA 36 -1.830 -2.201 -7.358 222 3HB ALA 36 3HB ALA 36 -1.060 -1.810 -8.894 223 H ILE 37 H ILE 37 -1.237 -4.341 -6.612 224 HA ILE 37 HA ILE 37 -3.376 -6.241 -5.977 225 HB ILE 37 HB ILE 37 -1.027 -6.690 -5.300 226 1HG1 ILE 37 1HG1 ILE 37 -3.061 -7.531 -3.998 227 2HG1 ILE 37 2HG1 ILE 37 -1.532 -7.516 -3.122 228 1HG2 ILE 37 1HG2 ILE 37 -0.469 -4.286 -4.876 229 2HG2 ILE 37 2HG2 ILE 37 -1.405 -4.388 -3.384 230 3HG2 ILE 37 3HG2 ILE 37 0.039 -5.378 -3.587 231 1HD1 ILE 37 1HD1 ILE 37 -2.623 -4.960 -2.689 232 2HD1 ILE 37 2HD1 ILE 37 -3.988 -6.065 -2.558 233 3HD1 ILE 37 3HD1 ILE 37 -2.572 -6.294 -1.533 234 H TYR 38 H TYR 38 -2.168 -3.210 -4.772 235 HA TYR 38 HA TYR 38 -3.146 -2.165 -2.729 236 1HB TYR 38 1HB TYR 38 -4.177 -0.262 -3.761 237 2HB TYR 38 2HB TYR 38 -2.848 -0.798 -4.785 238 HD1 TYR 38 HD1 TYR 38 -3.512 -2.575 -6.639 239 HD2 TYR 38 HD2 TYR 38 -6.256 0.091 -4.736 240 HE1 TYR 38 HE1 TYR 38 -5.094 -2.849 -8.530 241 HE2 TYR 38 HE2 TYR 38 -7.847 -0.167 -6.601 242 HH TYR 38 HH TYR 38 -7.035 -1.331 -9.535 243 H LYS 39 H LYS 39 -4.632 -2.638 -1.250 244 HA LYS 39 HA LYS 39 -7.349 -3.521 -2.125 245 1HB LYS 39 1HB LYS 39 -6.076 -3.891 0.605 246 2HB LYS 39 2HB LYS 39 -7.542 -4.660 -0.004 247 1HG LYS 39 1HG LYS 39 -4.820 -5.035 -1.273 248 2HG LYS 39 2HG LYS 39 -5.485 -6.132 -0.063 249 1HD LYS 39 1HD LYS 39 -7.311 -5.494 -2.299 250 2HD LYS 39 2HD LYS 39 -5.878 -6.419 -2.751 251 1HE LYS 39 1HE LYS 39 -7.080 -8.223 -2.067 252 2HE LYS 39 2HE LYS 39 -6.652 -7.687 -0.441 253 1HZ LYS 39 1HZ LYS 39 -8.975 -6.460 -1.727 254 2HZ LYS 39 2HZ LYS 39 -9.137 -8.050 -1.152 255 3HZ LYS 39 3HZ LYS 39 -8.700 -6.800 -0.088 256 H LYS 40 H LYS 40 -8.231 -1.442 -2.345 257 HA LYS 40 HA LYS 40 -7.854 0.795 -0.735 258 1HB LYS 40 1HB LYS 40 -9.517 0.150 -2.826 259 2HB LYS 40 2HB LYS 40 -10.662 0.401 -1.508 260 1HG LYS 40 1HG LYS 40 -8.675 2.442 -1.351 261 2HG LYS 40 2HG LYS 40 -9.260 2.372 -3.019 262 1HD LYS 40 1HD LYS 40 -11.602 2.435 -2.146 263 2HD LYS 40 2HD LYS 40 -10.955 2.638 -0.519 264 1HE LYS 40 1HE LYS 40 -11.171 4.862 -1.021 265 2HE LYS 40 2HE LYS 40 -9.606 4.607 -1.795 266 1HZ LYS 40 1HZ LYS 40 -11.298 3.826 -3.717 267 2HZ LYS 40 2HZ LYS 40 -12.203 5.061 -2.982 268 3HZ LYS 40 3HZ LYS 40 -10.654 5.389 -3.597 269 H PHE 41 H PHE 41 -8.806 1.649 1.081 270 HA PHE 41 HA PHE 41 -10.818 0.153 2.595 271 1HB PHE 41 1HB PHE 41 -7.960 -0.056 3.192 272 2HB PHE 41 2HB PHE 41 -8.961 0.432 4.568 273 HD1 PHE 41 HD1 PHE 41 -11.258 -0.870 4.778 274 HD2 PHE 41 HD2 PHE 41 -7.784 -2.351 2.737 275 HE1 PHE 41 HE1 PHE 41 -12.123 -3.177 4.989 276 HE2 PHE 41 HE2 PHE 41 -8.644 -4.667 2.954 277 HZ PHE 41 HZ PHE 41 -10.816 -5.083 4.080 278 H ASN 42 H ASN 42 -11.333 1.322 4.643 279 HA ASN 42 HA ASN 42 -10.524 4.183 4.615 280 1HB ASN 42 1HB ASN 42 -13.120 3.012 3.954 281 2HB ASN 42 2HB ASN 42 -13.223 4.243 5.217 282 1HD2 ASN 42 1HD2 ASN 42 -13.438 6.338 2.263 283 2HD2 ASN 42 2HD2 ASN 42 -14.409 5.432 3.320 284 H SER 43 H SER 43 -9.583 2.262 6.376 285 HA SER 43 HA SER 43 -10.121 3.323 8.916 286 1HB SER 43 1HB SER 43 -12.343 2.519 8.925 287 2HB SER 43 2HB SER 43 -11.897 1.020 8.113 288 HG SER 43 HG SER 43 -11.680 0.217 10.033 289 H TYR 44 H TYR 44 -7.944 2.946 9.239 290 HA TYR 44 HA TYR 44 -6.270 0.893 8.592 291 1HB TYR 44 1HB TYR 44 -6.026 2.957 10.277 292 2HB TYR 44 2HB TYR 44 -6.220 1.679 11.475 293 HD1 TYR 44 HD1 TYR 44 -4.946 -0.336 9.232 294 HD2 TYR 44 HD2 TYR 44 -3.701 3.242 11.256 295 HE1 TYR 44 HE1 TYR 44 -2.575 -0.992 8.931 296 HE2 TYR 44 HE2 TYR 44 -1.329 2.586 10.951 297 HH TYR 44 HH TYR 44 -0.383 0.014 8.878 298 H GLU 45 H GLU 45 -8.890 0.703 10.917 299 HA GLU 45 HA GLU 45 -8.113 -1.777 12.139 300 1HB GLU 45 1HB GLU 45 -10.813 -0.442 11.820 301 2HB GLU 45 2HB GLU 45 -10.559 -1.907 12.768 302 1HG GLU 45 1HG GLU 45 -9.265 0.794 13.230 303 2HG GLU 45 2HG GLU 45 -10.450 0.001 14.266 304 H GLN 46 H GLN 46 -10.217 -1.049 9.338 305 HA GLN 46 HA GLN 46 -10.783 -3.836 8.883 306 1HB GLN 46 1HB GLN 46 -11.157 -1.448 7.070 307 2HB GLN 46 2HB GLN 46 -11.864 -3.045 6.822 308 1HG GLN 46 1HG GLN 46 -12.582 -2.396 9.435 309 2HG GLN 46 2HG GLN 46 -12.760 -0.877 8.556 310 1HE2 GLN 46 1HE2 GLN 46 -15.933 -2.848 8.180 311 2HE2 GLN 46 2HE2 GLN 46 -15.066 -2.244 9.508 312 H ALA 47 H ALA 47 -8.944 -1.369 7.193 313 HA ALA 47 HA ALA 47 -7.723 -2.978 5.263 314 1HB ALA 47 1HB ALA 47 -7.564 -0.482 5.418 315 2HB ALA 47 2HB ALA 47 -6.432 -0.686 6.754 316 3HB ALA 47 3HB ALA 47 -6.007 -1.262 5.140 317 H LYS 48 H LYS 48 -6.487 -2.098 8.487 318 HA LYS 48 HA LYS 48 -4.186 -3.785 8.408 319 1HB LYS 48 1HB LYS 48 -4.731 -2.007 10.166 320 2HB LYS 48 2HB LYS 48 -5.784 -3.213 10.909 321 1HG LYS 48 1HG LYS 48 -3.497 -3.189 11.911 322 2HG LYS 48 2HG LYS 48 -3.905 -4.743 11.184 323 1HD LYS 48 1HD LYS 48 -2.316 -4.546 9.573 324 2HD LYS 48 2HD LYS 48 -2.649 -2.831 9.325 325 1HE LYS 48 1HE LYS 48 -1.473 -2.395 11.532 326 2HE LYS 48 2HE LYS 48 -0.955 -4.081 11.500 327 1HZ LYS 48 1HZ LYS 48 -0.405 -2.063 9.391 328 2HZ LYS 48 2HZ LYS 48 0.713 -2.625 10.536 329 3HZ LYS 48 3HZ LYS 48 0.094 -3.687 9.364 330 H SER 49 H SER 49 -7.496 -4.357 9.541 331 HA SER 49 HA SER 49 -7.284 -6.903 10.599 332 1HB SER 49 1HB SER 49 -9.402 -5.671 10.529 333 2HB SER 49 2HB SER 49 -9.470 -5.861 8.778 334 HG SER 49 HG SER 49 -10.684 -7.431 10.077 335 H PHE 50 H PHE 50 -7.728 -6.103 7.120 336 HA PHE 50 HA PHE 50 -7.405 -8.913 6.387 337 1HB PHE 50 1HB PHE 50 -8.229 -6.491 5.076 338 2HB PHE 50 2HB PHE 50 -6.977 -7.282 4.113 339 HD1 PHE 50 HD1 PHE 50 -7.219 -9.911 3.896 340 HD2 PHE 50 HD2 PHE 50 -10.438 -7.234 4.859 341 HE1 PHE 50 HE1 PHE 50 -8.860 -11.618 3.157 342 HE2 PHE 50 HE2 PHE 50 -12.078 -8.942 4.121 343 HZ PHE 50 HZ PHE 50 -11.289 -11.134 3.269 344 H LEU 51 H LEU 51 -5.289 -6.181 6.805 345 HA LEU 51 HA LEU 51 -3.128 -6.891 5.181 346 1HB LEU 51 1HB LEU 51 -3.594 -5.182 7.448 347 2HB LEU 51 2HB LEU 51 -2.033 -5.973 7.613 348 HG LEU 51 HG LEU 51 -1.627 -5.292 5.162 349 1HD1 LEU 51 1HD1 LEU 51 -4.046 -3.620 5.871 350 2HD1 LEU 51 2HD1 LEU 51 -2.916 -3.158 4.597 351 3HD1 LEU 51 3HD1 LEU 51 -3.826 -4.664 4.467 352 1HD2 LEU 51 1HD2 LEU 51 -0.512 -4.223 7.090 353 2HD2 LEU 51 2HD2 LEU 51 -0.890 -3.035 5.842 354 3HD2 LEU 51 3HD2 LEU 51 -1.894 -3.144 7.289 355 H GLY 52 H GLY 52 -2.729 -7.349 8.666 356 1HA GLY 52 1HA GLY 52 -1.933 -10.176 8.128 357 2HA GLY 52 2HA GLY 52 -0.896 -9.113 9.076 Start of MODEL 14 1 H GLY 6 H GLY 6 -7.177 12.981 1.476 2 1HA GLY 6 1HA GLY 6 -6.593 10.714 -0.112 3 2HA GLY 6 2HA GLY 6 -5.920 11.000 1.491 4 H ASN 7 H ASN 7 -6.253 8.474 1.323 5 HA ASN 7 HA ASN 7 -8.676 7.898 2.855 6 1HB ASN 7 1HB ASN 7 -8.350 7.159 0.057 7 2HB ASN 7 2HB ASN 7 -8.662 5.779 1.093 8 1HD2 ASN 7 1HD2 ASN 7 -11.523 8.749 1.061 9 2HD2 ASN 7 2HD2 ASN 7 -9.888 9.182 0.934 10 H PHE 8 H PHE 8 -8.618 5.198 2.901 11 HA PHE 8 HA PHE 8 -5.924 4.639 4.062 12 1HB PHE 8 1HB PHE 8 -8.681 3.524 4.566 13 2HB PHE 8 2HB PHE 8 -7.249 2.600 5.020 14 HD1 PHE 8 HD1 PHE 8 -8.893 5.928 5.423 15 HD2 PHE 8 HD2 PHE 8 -6.050 3.117 6.994 16 HE1 PHE 8 HE1 PHE 8 -8.643 7.321 7.459 17 HE2 PHE 8 HE2 PHE 8 -5.800 4.510 9.032 18 HZ PHE 8 HZ PHE 8 -7.096 6.613 9.262 19 H TYR 9 H TYR 9 -4.716 2.874 3.237 20 HA TYR 9 HA TYR 9 -6.054 1.329 1.065 21 1HB TYR 9 1HB TYR 9 -4.262 3.405 0.581 22 2HB TYR 9 2HB TYR 9 -3.321 1.924 0.363 23 HD1 TYR 9 HD1 TYR 9 -4.708 -0.018 -0.779 24 HD2 TYR 9 HD2 TYR 9 -5.409 4.173 -1.339 25 HE1 TYR 9 HE1 TYR 9 -5.771 -0.471 -2.940 26 HE2 TYR 9 HE2 TYR 9 -6.490 3.696 -3.527 27 HH TYR 9 HH TYR 9 -7.722 1.552 -4.534 28 H ALA 10 H ALA 10 -5.920 -0.744 1.854 29 HA ALA 10 HA ALA 10 -3.517 -1.644 3.286 30 1HB ALA 10 1HB ALA 10 -6.205 -2.600 2.919 31 2HB ALA 10 2HB ALA 10 -5.087 -3.853 2.382 32 3HB ALA 10 3HB ALA 10 -4.975 -3.216 4.023 33 H VAL 11 H VAL 11 -1.865 -1.358 1.781 34 HA VAL 11 HA VAL 11 -2.124 -2.901 -0.765 35 HB VAL 11 HB VAL 11 -0.391 -0.500 -0.165 36 1HG1 VAL 11 1HG1 VAL 11 0.377 -1.995 -1.997 37 2HG1 VAL 11 2HG1 VAL 11 -1.194 -1.783 -2.781 38 3HG1 VAL 11 3HG1 VAL 11 -0.123 -0.398 -2.572 39 1HG2 VAL 11 1HG2 VAL 11 -3.142 -0.785 -1.369 40 2HG2 VAL 11 2HG2 VAL 11 -2.635 0.255 -0.038 41 3HG2 VAL 11 3HG2 VAL 11 -2.127 0.620 -1.687 42 H ARG 12 H ARG 12 -0.202 -3.936 -1.580 43 HA ARG 12 HA ARG 12 2.255 -4.025 -0.117 44 1HB ARG 12 1HB ARG 12 0.188 -5.617 0.983 45 2HB ARG 12 2HB ARG 12 1.288 -6.727 0.166 46 1HG ARG 12 1HG ARG 12 3.075 -6.188 1.536 47 2HG ARG 12 2HG ARG 12 2.467 -4.565 1.865 48 1HD ARG 12 1HD ARG 12 1.816 -5.438 3.859 49 2HD ARG 12 2HD ARG 12 0.480 -6.125 2.934 50 HE ARG 12 HE ARG 12 2.327 -8.065 2.615 51 1HH1 ARG 12 1HH1 ARG 12 2.843 -6.155 5.282 52 2HH1 ARG 12 2HH1 ARG 12 2.610 -7.401 6.461 53 1HH2 ARG 12 1HH2 ARG 12 1.415 -9.713 4.167 54 2HH2 ARG 12 2HH2 ARG 12 1.802 -9.419 5.830 55 H LYS 13 H LYS 13 1.297 -3.819 -2.854 56 HA LYS 13 HA LYS 13 1.496 -6.177 -4.373 57 1HB LYS 13 1HB LYS 13 1.080 -3.668 -5.085 58 2HB LYS 13 2HB LYS 13 2.822 -3.676 -5.365 59 1HG LYS 13 1HG LYS 13 1.283 -5.992 -6.430 60 2HG LYS 13 2HG LYS 13 1.064 -4.446 -7.252 61 1HD LYS 13 1HD LYS 13 3.175 -4.455 -8.100 62 2HD LYS 13 2HD LYS 13 3.868 -5.104 -6.613 63 1HE LYS 13 1HE LYS 13 3.797 -7.224 -7.391 64 2HE LYS 13 2HE LYS 13 2.140 -7.033 -7.965 65 1HZ LYS 13 1HZ LYS 13 3.815 -5.486 -9.582 66 2HZ LYS 13 2HZ LYS 13 4.502 -7.035 -9.463 67 3HZ LYS 13 3HZ LYS 13 2.906 -6.851 -10.015 68 H GLY 14 H GLY 14 3.086 -7.540 -3.411 69 1HA GLY 14 1HA GLY 14 5.267 -8.308 -2.931 70 2HA GLY 14 2HA GLY 14 5.576 -7.727 -4.568 71 H ARG 15 H ARG 15 4.835 -5.900 -1.591 72 HA ARG 15 HA ARG 15 7.585 -4.842 -1.523 73 1HB ARG 15 1HB ARG 15 6.120 -3.472 -3.183 74 2HB ARG 15 2HB ARG 15 5.327 -2.855 -1.733 75 1HG ARG 15 1HG ARG 15 7.036 -1.290 -2.048 76 2HG ARG 15 2HG ARG 15 7.778 -2.413 -0.907 77 1HD ARG 15 1HD ARG 15 9.347 -1.942 -2.723 78 2HD ARG 15 2HD ARG 15 8.817 -3.621 -2.823 79 HE ARG 15 HE ARG 15 7.210 -1.790 -4.440 80 1HH1 ARG 15 1HH1 ARG 15 8.846 -4.665 -4.445 81 2HH1 ARG 15 2HH1 ARG 15 9.482 -4.530 -6.051 82 1HH2 ARG 15 1HH2 ARG 15 8.521 -1.220 -6.435 83 2HH2 ARG 15 2HH2 ARG 15 9.296 -2.579 -7.178 84 H GLU 16 H GLU 16 8.035 -3.750 0.481 85 HA GLU 16 HA GLU 16 6.366 -4.669 2.697 86 1HB GLU 16 1HB GLU 16 8.967 -4.415 2.595 87 2HB GLU 16 2HB GLU 16 8.646 -2.723 2.978 88 1HG GLU 16 1HG GLU 16 7.076 -3.839 4.835 89 2HG GLU 16 2HG GLU 16 8.234 -5.156 4.656 90 H THR 17 H THR 17 4.469 -3.317 1.793 91 HA THR 17 HA THR 17 4.683 -0.490 2.725 92 HB THR 17 HB THR 17 2.517 -0.241 1.364 93 HG1 THR 17 HG1 THR 17 3.441 -2.455 -0.060 94 1HG2 THR 17 1HG2 THR 17 4.969 0.376 0.723 95 2HG2 THR 17 2HG2 THR 17 4.862 -1.022 -0.347 96 3HG2 THR 17 3HG2 THR 17 3.746 0.329 -0.547 97 H GLY 18 H GLY 18 1.507 -1.693 2.278 98 1HA GLY 18 1HA GLY 18 0.431 -3.017 4.217 99 2HA GLY 18 2HA GLY 18 1.198 -1.806 5.246 100 H ILE 19 H ILE 19 -0.922 -1.146 5.987 101 HA ILE 19 HA ILE 19 -2.816 -0.110 4.065 102 HB ILE 19 HB ILE 19 -2.922 0.301 7.034 103 1HG1 ILE 19 1HG1 ILE 19 -3.436 -2.173 5.383 104 2HG1 ILE 19 2HG1 ILE 19 -2.526 -2.026 6.885 105 1HG2 ILE 19 1HG2 ILE 19 -4.547 1.250 5.116 106 2HG2 ILE 19 2HG2 ILE 19 -5.267 -0.349 5.302 107 3HG2 ILE 19 3HG2 ILE 19 -5.163 0.739 6.688 108 1HD1 ILE 19 1HD1 ILE 19 -5.157 -1.116 7.441 109 2HD1 ILE 19 2HD1 ILE 19 -5.314 -2.613 6.525 110 3HD1 ILE 19 3HD1 ILE 19 -4.384 -2.590 8.020 111 H TYR 20 H TYR 20 -2.790 1.943 3.265 112 HA TYR 20 HA TYR 20 -1.064 3.956 4.612 113 1HB TYR 20 1HB TYR 20 -2.623 4.410 2.089 114 2HB TYR 20 2HB TYR 20 -1.164 5.229 2.619 115 HD1 TYR 20 HD1 TYR 20 0.633 3.098 3.386 116 HD2 TYR 20 HD2 TYR 20 -2.108 3.275 0.090 117 HE1 TYR 20 HE1 TYR 20 2.028 1.466 2.141 118 HE2 TYR 20 HE2 TYR 20 -0.711 1.648 -1.158 119 HH TYR 20 HH TYR 20 1.467 0.767 -1.219 120 H ASN 21 H ASN 21 -2.156 6.264 4.212 121 HA ASN 21 HA ASN 21 -5.028 6.326 4.742 122 1HB ASN 21 1HB ASN 21 -4.155 5.828 6.924 123 2HB ASN 21 2HB ASN 21 -2.890 7.039 6.730 124 1HD2 ASN 21 1HD2 ASN 21 -5.551 8.669 8.754 125 2HD2 ASN 21 2HD2 ASN 21 -4.438 7.406 8.971 126 H THR 22 H THR 22 -3.988 7.349 2.551 127 HA THR 22 HA THR 22 -4.042 10.226 2.951 128 HB THR 22 HB THR 22 -1.647 9.258 1.471 129 HG1 THR 22 HG1 THR 22 -1.597 9.622 4.269 130 1HG2 THR 22 1HG2 THR 22 -2.595 11.685 2.884 131 2HG2 THR 22 2HG2 THR 22 -0.865 11.354 2.958 132 3HG2 THR 22 3HG2 THR 22 -1.662 11.535 1.394 133 H TRP 23 H TRP 23 -3.824 11.371 0.810 134 HA TRP 23 HA TRP 23 -5.353 9.951 -1.246 135 1HB TRP 23 1HB TRP 23 -5.733 12.364 -0.830 136 2HB TRP 23 2HB TRP 23 -4.054 12.693 -1.254 137 HD1 TRP 23 HD1 TRP 23 -4.228 13.909 -3.506 138 HE1 TRP 23 HE1 TRP 23 -5.284 13.357 -5.793 139 HE3 TRP 23 HE3 TRP 23 -6.783 9.669 -2.291 140 HZ2 TRP 23 HZ2 TRP 23 -6.990 11.374 -6.953 141 HZ3 TRP 23 HZ3 TRP 23 -8.117 8.462 -4.000 142 HH2 TRP 23 HH2 TRP 23 -8.222 9.311 -6.328 143 H ASN 24 H ASN 24 -2.186 11.460 -0.927 144 HA ASN 24 HA ASN 24 -1.093 10.628 -3.383 145 1HB ASN 24 1HB ASN 24 0.222 11.211 -0.727 146 2HB ASN 24 2HB ASN 24 1.128 10.913 -2.210 147 1HD2 ASN 24 1HD2 ASN 24 0.004 14.618 -1.584 148 2HD2 ASN 24 2HD2 ASN 24 0.342 13.450 -0.399 149 H GLU 25 H GLU 25 -0.429 9.211 -0.163 150 HA GLU 25 HA GLU 25 0.906 6.910 -0.894 151 1HB GLU 25 1HB GLU 25 -1.311 7.179 1.146 152 2HB GLU 25 2HB GLU 25 -0.166 5.838 1.087 153 1HG GLU 25 1HG GLU 25 0.350 8.737 1.725 154 2HG GLU 25 2HG GLU 25 0.747 7.313 2.687 155 H CYS 26 H CYS 26 -2.582 7.467 -0.906 156 HA CYS 26 HA CYS 26 -3.352 4.875 -1.802 157 1HB CYS 26 1HB CYS 26 -5.049 6.184 -0.849 158 2HB CYS 26 2HB CYS 26 -4.613 7.597 -1.804 159 HG CYS 26 HG CYS 26 -6.819 6.212 -2.695 160 H LYS 27 H LYS 27 -4.096 7.566 -3.836 161 HA LYS 27 HA LYS 27 -3.932 6.348 -6.287 162 1HB LYS 27 1HB LYS 27 -3.679 9.021 -5.149 163 2HB LYS 27 2HB LYS 27 -2.973 8.873 -6.766 164 1HG LYS 27 1HG LYS 27 -5.798 8.083 -5.975 165 2HG LYS 27 2HG LYS 27 -5.359 9.513 -6.910 166 1HD LYS 27 1HD LYS 27 -4.245 7.900 -8.565 167 2HD LYS 27 2HD LYS 27 -5.107 6.614 -7.720 168 1HE LYS 27 1HE LYS 27 -7.228 7.499 -8.303 169 2HE LYS 27 2HE LYS 27 -6.541 9.056 -8.766 170 1HZ LYS 27 1HZ LYS 27 -5.258 7.690 -10.490 171 2HZ LYS 27 2HZ LYS 27 -6.416 6.482 -10.199 172 3HZ LYS 27 3HZ LYS 27 -6.900 8.003 -10.778 173 H ASN 28 H ASN 28 -1.222 8.134 -4.742 174 HA ASN 28 HA ASN 28 0.744 7.701 -6.672 175 1HB ASN 28 1HB ASN 28 0.857 8.901 -4.336 176 2HB ASN 28 2HB ASN 28 1.442 7.336 -3.773 177 1HD2 ASN 28 1HD2 ASN 28 4.674 7.889 -5.038 178 2HD2 ASN 28 2HD2 ASN 28 3.666 7.037 -3.970 179 H GLN 29 H GLN 29 -0.176 5.490 -4.012 180 HA GLN 29 HA GLN 29 1.700 3.451 -4.846 181 1HB GLN 29 1HB GLN 29 -0.736 3.345 -3.049 182 2HB GLN 29 2HB GLN 29 0.393 2.004 -3.268 183 1HG GLN 29 1HG GLN 29 1.345 4.753 -2.455 184 2HG GLN 29 2HG GLN 29 0.807 3.579 -1.258 185 1HE2 GLN 29 1HE2 GLN 29 4.149 2.392 -1.243 186 2HE2 GLN 29 2HE2 GLN 29 2.921 3.158 -0.358 187 H VAL 30 H VAL 30 -1.500 4.354 -5.835 188 HA VAL 30 HA VAL 30 -1.425 2.238 -7.878 189 HB VAL 30 HB VAL 30 -3.839 1.620 -7.315 190 1HG1 VAL 30 1HG1 VAL 30 -1.596 0.992 -5.378 191 2HG1 VAL 30 2HG1 VAL 30 -3.115 0.093 -5.463 192 3HG1 VAL 30 3HG1 VAL 30 -2.011 0.091 -6.840 193 1HG2 VAL 30 1HG2 VAL 30 -3.429 3.685 -5.421 194 2HG2 VAL 30 2HG2 VAL 30 -4.848 2.650 -5.588 195 3HG2 VAL 30 3HG2 VAL 30 -3.537 2.182 -4.506 196 H ASP 31 H ASP 31 -1.116 4.270 -9.115 197 HA ASP 31 HA ASP 31 -3.698 5.726 -9.521 198 1HB ASP 31 1HB ASP 31 -1.960 7.255 -8.798 199 2HB ASP 31 2HB ASP 31 -0.835 6.609 -9.994 200 H GLY 32 H GLY 32 -4.259 3.835 -10.932 201 1HA GLY 32 1HA GLY 32 -4.728 3.628 -13.340 202 2HA GLY 32 2HA GLY 32 -3.097 4.225 -13.655 203 H TYR 33 H TYR 33 -3.963 1.788 -11.247 204 HA TYR 33 HA TYR 33 -2.359 -0.161 -12.787 205 1HB TYR 33 1HB TYR 33 -2.720 0.087 -9.793 206 2HB TYR 33 2HB TYR 33 -1.825 -1.203 -10.593 207 HD1 TYR 33 HD1 TYR 33 -2.008 2.550 -10.841 208 HD2 TYR 33 HD2 TYR 33 0.472 -0.947 -10.572 209 HE1 TYR 33 HE1 TYR 33 0.009 3.979 -10.913 210 HE2 TYR 33 HE2 TYR 33 2.493 0.484 -10.638 211 HH TYR 33 HH TYR 33 2.808 3.257 -9.912 212 H GLY 34 H GLY 34 -4.129 -1.139 -13.874 213 1HA GLY 34 1HA GLY 34 -6.511 -1.967 -12.431 214 2HA GLY 34 2HA GLY 34 -6.096 -2.421 -14.083 215 H GLY 35 H GLY 35 -3.380 -3.173 -12.545 216 1HA GLY 35 1HA GLY 35 -4.353 -5.903 -11.795 217 2HA GLY 35 2HA GLY 35 -2.832 -5.637 -12.647 218 H ALA 36 H ALA 36 -2.766 -3.091 -10.725 219 HA ALA 36 HA ALA 36 -0.776 -3.982 -8.971 220 1HB ALA 36 1HB ALA 36 -2.661 -1.695 -8.983 221 2HB ALA 36 2HB ALA 36 -1.992 -2.119 -7.405 222 3HB ALA 36 3HB ALA 36 -0.913 -1.706 -8.744 223 H ILE 37 H ILE 37 -0.814 -4.634 -6.756 224 HA ILE 37 HA ILE 37 -3.284 -6.096 -6.028 225 HB ILE 37 HB ILE 37 -0.694 -6.863 -5.721 226 1HG1 ILE 37 1HG1 ILE 37 -2.638 -8.292 -5.364 227 2HG1 ILE 37 2HG1 ILE 37 -1.577 -8.418 -3.959 228 1HG2 ILE 37 1HG2 ILE 37 -0.206 -5.021 -4.139 229 2HG2 ILE 37 2HG2 ILE 37 -1.499 -5.601 -3.086 230 3HG2 ILE 37 3HG2 ILE 37 -0.061 -6.594 -3.354 231 1HD1 ILE 37 1HD1 ILE 37 -3.107 -6.312 -3.197 232 2HD1 ILE 37 2HD1 ILE 37 -4.271 -7.193 -4.187 233 3HD1 ILE 37 3HD1 ILE 37 -3.509 -7.987 -2.808 234 H TYR 38 H TYR 38 -4.641 -5.277 -4.439 235 HA TYR 38 HA TYR 38 -3.696 -3.518 -2.399 236 1HB TYR 38 1HB TYR 38 -4.321 -1.413 -3.160 237 2HB TYR 38 2HB TYR 38 -3.546 -2.140 -4.551 238 HD1 TYR 38 HD1 TYR 38 -7.002 -1.853 -3.042 239 HD2 TYR 38 HD2 TYR 38 -4.614 -2.023 -6.605 240 HE1 TYR 38 HE1 TYR 38 -9.029 -1.432 -4.400 241 HE2 TYR 38 HE2 TYR 38 -6.637 -1.612 -7.974 242 HH TYR 38 HH TYR 38 -8.812 -0.895 -7.883 243 H LYS 39 H LYS 39 -5.215 -2.973 -0.891 244 HA LYS 39 HA LYS 39 -8.003 -3.953 -1.336 245 1HB LYS 39 1HB LYS 39 -6.053 -4.585 0.788 246 2HB LYS 39 2HB LYS 39 -7.624 -4.064 1.397 247 1HG LYS 39 1HG LYS 39 -7.884 -6.395 1.136 248 2HG LYS 39 2HG LYS 39 -8.611 -5.731 -0.327 249 1HD LYS 39 1HD LYS 39 -6.264 -5.990 -1.380 250 2HD LYS 39 2HD LYS 39 -5.915 -7.042 -0.009 251 1HE LYS 39 1HE LYS 39 -6.769 -8.653 -1.390 252 2HE LYS 39 2HE LYS 39 -8.307 -8.058 -0.768 253 1HZ LYS 39 1HZ LYS 39 -7.381 -6.467 -2.936 254 2HZ LYS 39 2HZ LYS 39 -7.502 -8.096 -3.392 255 3HZ LYS 39 3HZ LYS 39 -8.856 -7.291 -2.758 256 H LYS 40 H LYS 40 -8.442 -1.732 -1.962 257 HA LYS 40 HA LYS 40 -7.810 0.585 -0.528 258 1HB LYS 40 1HB LYS 40 -8.873 0.641 -2.720 259 2HB LYS 40 2HB LYS 40 -10.341 -0.063 -2.050 260 1HG LYS 40 1HG LYS 40 -11.057 2.018 -1.663 261 2HG LYS 40 2HG LYS 40 -9.803 2.151 -0.431 262 1HD LYS 40 1HD LYS 40 -8.241 3.069 -2.020 263 2HD LYS 40 2HD LYS 40 -9.339 2.745 -3.362 264 1HE LYS 40 1HE LYS 40 -10.403 4.411 -1.136 265 2HE LYS 40 2HE LYS 40 -9.190 5.158 -2.176 266 1HZ LYS 40 1HZ LYS 40 -10.818 3.937 -3.946 267 2HZ LYS 40 2HZ LYS 40 -11.918 4.443 -2.754 268 3HZ LYS 40 3HZ LYS 40 -10.905 5.575 -3.516 269 H PHE 41 H PHE 41 -8.833 1.725 1.135 270 HA PHE 41 HA PHE 41 -11.193 0.610 2.470 271 1HB PHE 41 1HB PHE 41 -8.483 0.049 3.425 272 2HB PHE 41 2HB PHE 41 -9.565 0.722 4.650 273 HD1 PHE 41 HD1 PHE 41 -11.962 -0.280 4.756 274 HD2 PHE 41 HD2 PHE 41 -8.621 -2.240 2.904 275 HE1 PHE 41 HE1 PHE 41 -13.140 -2.447 4.933 276 HE2 PHE 41 HE2 PHE 41 -9.799 -4.417 3.083 277 HZ PHE 41 HZ PHE 41 -12.061 -4.524 4.098 278 H ASN 42 H ASN 42 -11.806 1.904 4.382 279 HA ASN 42 HA ASN 42 -10.714 4.686 4.300 280 1HB ASN 42 1HB ASN 42 -13.268 3.808 3.476 281 2HB ASN 42 2HB ASN 42 -13.503 4.596 5.037 282 1HD2 ASN 42 1HD2 ASN 42 -13.655 7.355 2.595 283 2HD2 ASN 42 2HD2 ASN 42 -14.625 6.047 3.074 284 H SER 43 H SER 43 -10.131 2.425 6.046 285 HA SER 43 HA SER 43 -10.309 3.692 8.595 286 1HB SER 43 1HB SER 43 -12.483 3.137 9.046 287 2HB SER 43 2HB SER 43 -12.518 1.884 7.808 288 HG SER 43 HG SER 43 -11.876 1.743 10.491 289 H TYR 44 H TYR 44 -8.142 3.072 8.680 290 HA TYR 44 HA TYR 44 -6.798 0.804 8.014 291 1HB TYR 44 1HB TYR 44 -5.675 2.599 9.185 292 2HB TYR 44 2HB TYR 44 -6.610 2.290 10.648 293 HD1 TYR 44 HD1 TYR 44 -4.180 0.714 8.300 294 HD2 TYR 44 HD2 TYR 44 -5.857 0.726 12.250 295 HE1 TYR 44 HE1 TYR 44 -2.485 -0.946 9.022 296 HE2 TYR 44 HE2 TYR 44 -4.163 -0.935 12.976 297 HH TYR 44 HH TYR 44 -2.268 -1.994 12.408 298 H GLU 45 H GLU 45 -9.185 1.021 10.577 299 HA GLU 45 HA GLU 45 -8.568 -1.477 11.854 300 1HB GLU 45 1HB GLU 45 -11.051 0.237 11.746 301 2HB GLU 45 2HB GLU 45 -11.015 -1.292 12.626 302 1HG GLU 45 1HG GLU 45 -8.894 0.806 13.072 303 2HG GLU 45 2HG GLU 45 -10.429 0.866 13.940 304 H GLN 46 H GLN 46 -10.615 -0.629 9.085 305 HA GLN 46 HA GLN 46 -11.696 -3.294 8.858 306 1HB GLN 46 1HB GLN 46 -11.662 -1.032 6.853 307 2HB GLN 46 2HB GLN 46 -12.675 -2.473 6.764 308 1HG GLN 46 1HG GLN 46 -13.164 -1.446 9.317 309 2HG GLN 46 2HG GLN 46 -13.086 -0.020 8.283 310 1HE2 GLN 46 1HE2 GLN 46 -15.814 -1.316 6.161 311 2HE2 GLN 46 2HE2 GLN 46 -14.241 -0.716 5.941 312 H ALA 47 H ALA 47 -9.495 -1.309 6.972 313 HA ALA 47 HA ALA 47 -8.560 -3.249 5.182 314 1HB ALA 47 1HB ALA 47 -7.231 -0.856 6.463 315 2HB ALA 47 2HB ALA 47 -6.398 -1.845 5.260 316 3HB ALA 47 3HB ALA 47 -7.875 -0.994 4.828 317 H LYS 48 H LYS 48 -7.177 -2.291 8.310 318 HA LYS 48 HA LYS 48 -5.153 -4.261 8.480 319 1HB LYS 48 1HB LYS 48 -5.599 -2.317 10.098 320 2HB LYS 48 2HB LYS 48 -6.789 -3.373 10.858 321 1HG LYS 48 1HG LYS 48 -4.171 -4.637 10.360 322 2HG LYS 48 2HG LYS 48 -4.138 -3.315 11.528 323 1HD LYS 48 1HD LYS 48 -6.187 -5.531 11.670 324 2HD LYS 48 2HD LYS 48 -4.619 -5.648 12.471 325 1HE LYS 48 1HE LYS 48 -5.530 -3.116 13.184 326 2HE LYS 48 2HE LYS 48 -6.984 -4.112 13.242 327 1HZ LYS 48 1HZ LYS 48 -4.782 -5.491 14.374 328 2HZ LYS 48 2HZ LYS 48 -4.976 -3.985 15.130 329 3HZ LYS 48 3HZ LYS 48 -6.271 -5.083 15.084 330 H SER 49 H SER 49 -8.454 -4.396 9.862 331 HA SER 49 HA SER 49 -8.459 -7.015 10.766 332 1HB SER 49 1HB SER 49 -10.404 -5.583 11.070 333 2HB SER 49 2HB SER 49 -10.674 -5.528 9.330 334 HG SER 49 HG SER 49 -10.990 -7.812 9.421 335 H PHE 50 H PHE 50 -8.525 -5.831 7.476 336 HA PHE 50 HA PHE 50 -9.194 -8.398 6.280 337 1HB PHE 50 1HB PHE 50 -8.906 -5.706 5.406 338 2HB PHE 50 2HB PHE 50 -7.761 -6.677 4.481 339 HD1 PHE 50 HD1 PHE 50 -11.272 -7.028 5.788 340 HD2 PHE 50 HD2 PHE 50 -8.572 -7.564 2.489 341 HE1 PHE 50 HE1 PHE 50 -13.134 -7.905 4.406 342 HE2 PHE 50 HE2 PHE 50 -10.436 -8.442 1.108 343 HZ PHE 50 HZ PHE 50 -12.717 -8.613 2.066 344 H LEU 51 H LEU 51 -6.206 -6.495 6.713 345 HA LEU 51 HA LEU 51 -4.425 -8.145 5.406 346 1HB LEU 51 1HB LEU 51 -3.789 -6.851 8.045 347 2HB LEU 51 2HB LEU 51 -2.724 -7.118 6.680 348 HG LEU 51 HG LEU 51 -4.974 -5.129 6.902 349 1HD1 LEU 51 1HD1 LEU 51 -2.027 -5.085 6.902 350 2HD1 LEU 51 2HD1 LEU 51 -2.770 -3.884 5.846 351 3HD1 LEU 51 3HD1 LEU 51 -3.168 -3.918 7.565 352 1HD2 LEU 51 1HD2 LEU 51 -4.066 -6.549 4.554 353 2HD2 LEU 51 2HD2 LEU 51 -5.341 -5.336 4.694 354 3HD2 LEU 51 3HD2 LEU 51 -3.671 -4.835 4.418 355 H GLY 52 H GLY 52 -4.630 -8.222 8.982 356 1HA GLY 52 1HA GLY 52 -4.439 -11.199 8.788 357 2HA GLY 52 2HA GLY 52 -3.421 -10.291 9.902 Start of MODEL 15 1 H GLY 6 H GLY 6 -7.814 11.480 0.424 2 1HA GLY 6 1HA GLY 6 -5.863 10.799 1.843 3 2HA GLY 6 2HA GLY 6 -6.704 11.538 3.204 4 H ASN 7 H ASN 7 -6.374 8.632 1.346 5 HA ASN 7 HA ASN 7 -8.683 7.495 2.803 6 1HB ASN 7 1HB ASN 7 -7.395 6.411 0.318 7 2HB ASN 7 2HB ASN 7 -8.876 5.858 1.063 8 1HD2 ASN 7 1HD2 ASN 7 -10.701 8.044 -1.009 9 2HD2 ASN 7 2HD2 ASN 7 -10.514 6.474 -0.392 10 H PHE 8 H PHE 8 -8.469 5.216 3.425 11 HA PHE 8 HA PHE 8 -5.738 4.659 4.438 12 1HB PHE 8 1HB PHE 8 -8.497 3.654 5.050 13 2HB PHE 8 2HB PHE 8 -7.134 2.582 5.370 14 HD1 PHE 8 HD1 PHE 8 -5.383 3.210 6.992 15 HD2 PHE 8 HD2 PHE 8 -8.831 5.686 6.332 16 HE1 PHE 8 HE1 PHE 8 -4.894 4.447 9.084 17 HE2 PHE 8 HE2 PHE 8 -8.342 6.922 8.425 18 HZ PHE 8 HZ PHE 8 -6.375 6.304 9.801 19 H TYR 9 H TYR 9 -4.533 2.818 3.624 20 HA TYR 9 HA TYR 9 -5.966 1.439 1.411 21 1HB TYR 9 1HB TYR 9 -3.842 3.157 1.051 22 2HB TYR 9 2HB TYR 9 -3.096 1.564 0.997 23 HD1 TYR 9 HD1 TYR 9 -6.032 0.458 0.024 24 HD2 TYR 9 HD2 TYR 9 -3.136 3.290 -1.368 25 HE1 TYR 9 HE1 TYR 9 -6.975 0.313 -2.261 26 HE2 TYR 9 HE2 TYR 9 -4.046 3.112 -3.660 27 HH TYR 9 HH TYR 9 -5.356 1.419 -4.993 28 H ALA 10 H ALA 10 -6.257 -0.631 2.188 29 HA ALA 10 HA ALA 10 -4.108 -1.896 3.700 30 1HB ALA 10 1HB ALA 10 -6.787 -2.359 3.663 31 2HB ALA 10 2HB ALA 10 -6.254 -3.570 2.498 32 3HB ALA 10 3HB ALA 10 -5.619 -3.590 4.143 33 H VAL 11 H VAL 11 -2.538 -1.430 2.022 34 HA VAL 11 HA VAL 11 -2.834 -2.940 -0.504 35 HB VAL 11 HB VAL 11 -0.664 -1.014 0.341 36 1HG1 VAL 11 1HG1 VAL 11 -1.631 -1.954 -2.370 37 2HG1 VAL 11 2HG1 VAL 11 -0.356 -0.767 -2.087 38 3HG1 VAL 11 3HG1 VAL 11 -0.124 -2.450 -1.584 39 1HG2 VAL 11 1HG2 VAL 11 -3.131 -0.188 0.360 40 2HG2 VAL 11 2HG2 VAL 11 -1.944 0.757 -0.539 41 3HG2 VAL 11 3HG2 VAL 11 -3.033 -0.335 -1.394 42 H ARG 12 H ARG 12 -1.016 -4.190 -1.336 43 HA ARG 12 HA ARG 12 1.202 -4.938 0.292 44 1HB ARG 12 1HB ARG 12 -1.295 -6.339 0.803 45 2HB ARG 12 2HB ARG 12 -0.041 -7.451 0.252 46 1HG ARG 12 1HG ARG 12 1.423 -6.856 2.019 47 2HG ARG 12 2HG ARG 12 0.496 -5.406 2.407 48 1HD ARG 12 1HD ARG 12 -0.109 -6.973 4.085 49 2HD ARG 12 2HD ARG 12 -1.452 -6.999 2.941 50 HE ARG 12 HE ARG 12 0.715 -9.065 2.923 51 1HH1 ARG 12 1HH1 ARG 12 -0.853 -9.439 0.594 52 2HH1 ARG 12 2HH1 ARG 12 -2.214 -10.381 1.106 53 1HH2 ARG 12 1HH2 ARG 12 -1.780 -9.666 4.470 54 2HH2 ARG 12 2HH2 ARG 12 -2.738 -10.510 3.300 55 H LYS 13 H LYS 13 0.522 -4.276 -2.491 56 HA LYS 13 HA LYS 13 0.489 -6.463 -4.253 57 1HB LYS 13 1HB LYS 13 0.347 -4.146 -5.043 58 2HB LYS 13 2HB LYS 13 2.013 -3.854 -4.539 59 1HG LYS 13 1HG LYS 13 2.572 -5.893 -6.077 60 2HG LYS 13 2HG LYS 13 0.999 -5.557 -6.802 61 1HD LYS 13 1HD LYS 13 1.666 -3.488 -7.626 62 2HD LYS 13 2HD LYS 13 2.915 -3.286 -6.396 63 1HE LYS 13 1HE LYS 13 4.324 -3.878 -8.090 64 2HE LYS 13 2HE LYS 13 3.826 -5.514 -7.669 65 1HZ LYS 13 1HZ LYS 13 2.062 -5.361 -9.317 66 2HZ LYS 13 2HZ LYS 13 2.568 -3.793 -9.736 67 3HZ LYS 13 3HZ LYS 13 3.584 -5.118 -10.032 68 H GLY 14 H GLY 14 3.534 -4.688 -3.676 69 1HA GLY 14 1HA GLY 14 4.960 -7.062 -2.798 70 2HA GLY 14 2HA GLY 14 5.300 -6.674 -4.485 71 H ARG 15 H ARG 15 6.344 -4.642 -4.964 72 HA ARG 15 HA ARG 15 8.478 -3.883 -3.367 73 1HB ARG 15 1HB ARG 15 6.871 -2.457 -5.447 74 2HB ARG 15 2HB ARG 15 8.021 -1.510 -4.500 75 1HG ARG 15 1HG ARG 15 8.820 -4.115 -5.797 76 2HG ARG 15 2HG ARG 15 8.893 -2.588 -6.677 77 1HD ARG 15 1HD ARG 15 10.426 -1.652 -5.059 78 2HD ARG 15 2HD ARG 15 10.230 -3.047 -3.996 79 HE ARG 15 HE ARG 15 11.304 -3.549 -6.714 80 1HH1 ARG 15 1HH1 ARG 15 12.413 -2.344 -3.784 81 2HH1 ARG 15 2HH1 ARG 15 13.642 -3.542 -3.554 82 1HH2 ARG 15 1HH2 ARG 15 12.609 -5.495 -6.229 83 2HH2 ARG 15 2HH2 ARG 15 13.753 -5.328 -4.939 84 H GLU 16 H GLU 16 5.118 -3.003 -2.984 85 HA GLU 16 HA GLU 16 5.886 -1.463 -0.539 86 1HB GLU 16 1HB GLU 16 3.671 -0.178 -1.066 87 2HB GLU 16 2HB GLU 16 5.132 0.251 -1.956 88 1HG GLU 16 1HG GLU 16 4.328 -0.565 -3.923 89 2HG GLU 16 2HG GLU 16 3.559 -1.948 -3.144 90 H THR 17 H THR 17 4.089 -1.440 1.100 91 HA THR 17 HA THR 17 1.820 -3.161 0.902 92 HB THR 17 HB THR 17 3.162 -5.082 0.864 93 HG1 THR 17 HG1 THR 17 2.929 -5.958 2.916 94 1HG2 THR 17 1HG2 THR 17 4.978 -3.530 2.710 95 2HG2 THR 17 2HG2 THR 17 5.156 -5.268 2.470 96 3HG2 THR 17 3HG2 THR 17 5.339 -4.166 1.106 97 H GLY 18 H GLY 18 0.528 -2.957 2.753 98 1HA GLY 18 1HA GLY 18 0.714 -2.598 5.313 99 2HA GLY 18 2HA GLY 18 1.651 -1.173 4.867 100 H ILE 19 H ILE 19 -0.444 -0.498 6.308 101 HA ILE 19 HA ILE 19 -2.663 0.052 4.483 102 HB ILE 19 HB ILE 19 -2.473 0.304 7.474 103 1HG1 ILE 19 1HG1 ILE 19 -3.818 -1.593 5.538 104 2HG1 ILE 19 2HG1 ILE 19 -2.721 -1.983 6.861 105 1HG2 ILE 19 1HG2 ILE 19 -4.167 1.666 5.597 106 2HG2 ILE 19 2HG2 ILE 19 -5.152 0.520 6.503 107 3HG2 ILE 19 3HG2 ILE 19 -4.207 1.741 7.356 108 1HD1 ILE 19 1HD1 ILE 19 -5.441 -0.734 7.289 109 2HD1 ILE 19 2HD1 ILE 19 -5.165 -2.473 7.316 110 3HD1 ILE 19 3HD1 ILE 19 -4.379 -1.438 8.508 111 H TYR 20 H TYR 20 -2.434 1.927 3.357 112 HA TYR 20 HA TYR 20 -0.860 4.150 4.476 113 1HB TYR 20 1HB TYR 20 -2.580 4.126 2.007 114 2HB TYR 20 2HB TYR 20 -1.331 5.295 2.385 115 HD1 TYR 20 HD1 TYR 20 0.935 3.862 3.287 116 HD2 TYR 20 HD2 TYR 20 -1.872 2.711 0.250 117 HE1 TYR 20 HE1 TYR 20 2.651 2.397 2.252 118 HE2 TYR 20 HE2 TYR 20 -0.161 1.246 -0.783 119 HH TYR 20 HH TYR 20 1.863 0.134 -0.250 120 H ASN 21 H ASN 21 -2.113 6.397 3.903 121 HA ASN 21 HA ASN 21 -4.913 6.423 4.685 122 1HB ASN 21 1HB ASN 21 -4.005 6.021 6.818 123 2HB ASN 21 2HB ASN 21 -2.631 7.074 6.500 124 1HD2 ASN 21 1HD2 ASN 21 -6.243 7.329 6.627 125 2HD2 ASN 21 2HD2 ASN 21 -6.255 8.850 7.381 126 H THR 22 H THR 22 -4.059 7.419 2.405 127 HA THR 22 HA THR 22 -4.212 10.296 2.721 128 HB THR 22 HB THR 22 -1.858 9.424 1.133 129 HG1 THR 22 HG1 THR 22 -1.578 8.288 3.054 130 1HG2 THR 22 1HG2 THR 22 -2.920 11.821 2.416 131 2HG2 THR 22 2HG2 THR 22 -1.202 11.576 2.729 132 3HG2 THR 22 3HG2 THR 22 -1.791 11.670 1.067 133 H TRP 23 H TRP 23 -4.359 11.373 0.553 134 HA TRP 23 HA TRP 23 -5.803 9.640 -1.321 135 1HB TRP 23 1HB TRP 23 -6.662 11.870 -1.112 136 2HB TRP 23 2HB TRP 23 -5.063 12.572 -1.350 137 HD1 TRP 23 HD1 TRP 23 -5.532 13.877 -3.545 138 HE1 TRP 23 HE1 TRP 23 -6.085 13.163 -5.960 139 HE3 TRP 23 HE3 TRP 23 -6.582 8.927 -2.799 140 HZ2 TRP 23 HZ2 TRP 23 -6.866 10.811 -7.385 141 HZ3 TRP 23 HZ3 TRP 23 -7.224 7.480 -4.699 142 HH2 TRP 23 HH2 TRP 23 -7.369 8.414 -6.991 143 H ASN 24 H ASN 24 -2.806 11.496 -1.165 144 HA ASN 24 HA ASN 24 -1.818 10.720 -3.727 145 1HB ASN 24 1HB ASN 24 -0.601 11.930 -1.270 146 2HB ASN 24 2HB ASN 24 0.432 11.384 -2.590 147 1HD2 ASN 24 1HD2 ASN 24 -1.758 14.780 -3.021 148 2HD2 ASN 24 2HD2 ASN 24 -1.873 13.841 -1.613 149 H GLU 25 H GLU 25 -0.887 9.665 -0.425 150 HA GLU 25 HA GLU 25 0.857 7.597 -1.060 151 1HB GLU 25 1HB GLU 25 -1.326 7.668 1.039 152 2HB GLU 25 2HB GLU 25 -0.114 6.392 0.956 153 1HG GLU 25 1HG GLU 25 0.308 9.334 1.495 154 2HG GLU 25 2HG GLU 25 0.735 7.963 2.522 155 H CYS 26 H CYS 26 -2.639 7.720 -1.370 156 HA CYS 26 HA CYS 26 -3.009 4.950 -1.945 157 1HB CYS 26 1HB CYS 26 -4.920 6.231 -1.328 158 2HB CYS 26 2HB CYS 26 -4.621 7.401 -2.614 159 HG CYS 26 HG CYS 26 -6.463 5.372 -3.156 160 H LYS 27 H LYS 27 -3.920 7.155 -4.425 161 HA LYS 27 HA LYS 27 -3.235 5.697 -6.640 162 1HB LYS 27 1HB LYS 27 -3.469 8.521 -5.886 163 2HB LYS 27 2HB LYS 27 -2.568 8.246 -7.382 164 1HG LYS 27 1HG LYS 27 -5.175 6.816 -6.967 165 2HG LYS 27 2HG LYS 27 -5.206 8.514 -7.444 166 1HD LYS 27 1HD LYS 27 -3.270 7.321 -9.099 167 2HD LYS 27 2HD LYS 27 -4.615 6.179 -9.060 168 1HE LYS 27 1HE LYS 27 -5.257 7.599 -10.800 169 2HE LYS 27 2HE LYS 27 -6.087 8.325 -9.425 170 1HZ LYS 27 1HZ LYS 27 -3.375 9.241 -9.846 171 2HZ LYS 27 2HZ LYS 27 -4.462 9.659 -11.079 172 3HZ LYS 27 3HZ LYS 27 -4.777 10.124 -9.475 173 H ASN 28 H ASN 28 -1.074 8.046 -5.013 174 HA ASN 28 HA ASN 28 1.230 7.705 -6.537 175 1HB ASN 28 1HB ASN 28 0.902 9.194 -4.476 176 2HB ASN 28 2HB ASN 28 1.289 7.766 -3.513 177 1HD2 ASN 28 1HD2 ASN 28 4.670 8.789 -3.807 178 2HD2 ASN 28 2HD2 ASN 28 3.347 8.587 -2.762 179 H GLN 29 H GLN 29 0.065 5.646 -3.865 180 HA GLN 29 HA GLN 29 2.273 3.785 -4.110 181 1HB GLN 29 1HB GLN 29 -0.391 3.673 -2.697 182 2HB GLN 29 2HB GLN 29 0.717 2.303 -2.709 183 1HG GLN 29 1HG GLN 29 1.485 5.087 -1.790 184 2HG GLN 29 2HG GLN 29 0.995 3.789 -0.705 185 1HE2 GLN 29 1HE2 GLN 29 4.789 3.889 -1.312 186 2HE2 GLN 29 2HE2 GLN 29 3.696 5.157 -1.029 187 H VAL 30 H VAL 30 -0.709 4.225 -5.808 188 HA VAL 30 HA VAL 30 -0.196 1.595 -7.119 189 HB VAL 30 HB VAL 30 -2.734 1.595 -7.592 190 1HG1 VAL 30 1HG1 VAL 30 -1.406 1.085 -4.940 191 2HG1 VAL 30 2HG1 VAL 30 -3.116 0.726 -5.177 192 3HG1 VAL 30 3HG1 VAL 30 -1.902 -0.081 -6.168 193 1HG2 VAL 30 1HG2 VAL 30 -2.436 3.783 -5.583 194 2HG2 VAL 30 2HG2 VAL 30 -3.583 3.639 -6.911 195 3HG2 VAL 30 3HG2 VAL 30 -3.818 2.705 -5.437 196 H ASP 31 H ASP 31 -2.236 4.460 -7.827 197 HA ASP 31 HA ASP 31 -2.722 5.280 -10.020 198 1HB ASP 31 1HB ASP 31 -1.002 6.635 -8.760 199 2HB ASP 31 2HB ASP 31 0.226 5.850 -9.756 200 H GLY 32 H GLY 32 -3.121 3.611 -11.505 201 1HA GLY 32 1HA GLY 32 -2.351 2.945 -13.771 202 2HA GLY 32 2HA GLY 32 -0.736 2.740 -13.088 203 H TYR 33 H TYR 33 -0.352 0.932 -11.687 204 HA TYR 33 HA TYR 33 -0.450 -1.456 -11.585 205 1HB TYR 33 1HB TYR 33 -2.316 -2.006 -9.937 206 2HB TYR 33 2HB TYR 33 -1.171 -0.763 -9.430 207 HD1 TYR 33 HD1 TYR 33 -1.798 1.700 -9.924 208 HD2 TYR 33 HD2 TYR 33 -4.616 -1.537 -10.022 209 HE1 TYR 33 HE1 TYR 33 -3.660 3.317 -9.678 210 HE2 TYR 33 HE2 TYR 33 -6.482 0.081 -9.778 211 HH TYR 33 HH TYR 33 -7.055 2.215 -9.634 212 H GLY 34 H GLY 34 -0.910 -2.444 -13.571 213 1HA GLY 34 1HA GLY 34 -3.413 -2.340 -14.925 214 2HA GLY 34 2HA GLY 34 -2.223 -3.631 -15.120 215 H GLY 35 H GLY 35 -2.426 -3.997 -12.076 216 1HA GLY 35 1HA GLY 35 -5.104 -4.912 -11.512 217 2HA GLY 35 2HA GLY 35 -4.069 -6.263 -11.985 218 H ALA 36 H ALA 36 -3.647 -3.343 -9.954 219 HA ALA 36 HA ALA 36 -1.772 -4.544 -8.183 220 1HB ALA 36 1HB ALA 36 -3.625 -2.176 -7.948 221 2HB ALA 36 2HB ALA 36 -2.607 -2.669 -6.594 222 3HB ALA 36 3HB ALA 36 -1.870 -2.187 -8.122 223 H ILE 37 H ILE 37 -2.342 -4.679 -5.708 224 HA ILE 37 HA ILE 37 -4.682 -6.515 -5.453 225 HB ILE 37 HB ILE 37 -2.534 -7.506 -4.827 226 1HG1 ILE 37 1HG1 ILE 37 -4.700 -7.802 -3.392 227 2HG1 ILE 37 2HG1 ILE 37 -3.168 -8.359 -2.727 228 1HG2 ILE 37 1HG2 ILE 37 -2.316 -5.002 -3.155 229 2HG2 ILE 37 2HG2 ILE 37 -1.336 -6.432 -2.829 230 3HG2 ILE 37 3HG2 ILE 37 -1.192 -5.598 -4.376 231 1HD1 ILE 37 1HD1 ILE 37 -3.545 -5.566 -2.057 232 2HD1 ILE 37 2HD1 ILE 37 -4.964 -6.494 -1.575 233 3HD1 ILE 37 3HD1 ILE 37 -3.370 -6.950 -0.980 234 H TYR 38 H TYR 38 -3.213 -3.649 -4.311 235 HA TYR 38 HA TYR 38 -3.885 -2.819 -1.978 236 1HB TYR 38 1HB TYR 38 -4.595 -0.675 -2.735 237 2HB TYR 38 2HB TYR 38 -3.402 -1.289 -3.869 238 HD1 TYR 38 HD1 TYR 38 -7.112 -1.141 -3.322 239 HD2 TYR 38 HD2 TYR 38 -3.896 -1.382 -6.152 240 HE1 TYR 38 HE1 TYR 38 -8.731 -0.886 -5.179 241 HE2 TYR 38 HE2 TYR 38 -5.516 -1.138 -8.011 242 HH TYR 38 HH TYR 38 -8.435 0.056 -7.756 243 H LYS 39 H LYS 39 -5.461 -2.535 -0.536 244 HA LYS 39 HA LYS 39 -8.279 -3.141 -1.330 245 1HB LYS 39 1HB LYS 39 -6.598 -4.575 0.519 246 2HB LYS 39 2HB LYS 39 -7.894 -3.788 1.422 247 1HG LYS 39 1HG LYS 39 -8.874 -5.827 0.787 248 2HG LYS 39 2HG LYS 39 -9.444 -4.717 -0.460 249 1HD LYS 39 1HD LYS 39 -7.821 -5.492 -2.030 250 2HD LYS 39 2HD LYS 39 -6.926 -6.361 -0.783 251 1HE LYS 39 1HE LYS 39 -8.115 -8.137 -1.627 252 2HE LYS 39 2HE LYS 39 -9.321 -7.550 -0.482 253 1HZ LYS 39 1HZ LYS 39 -9.188 -6.597 -3.283 254 2HZ LYS 39 2HZ LYS 39 -10.111 -7.947 -2.824 255 3HZ LYS 39 3HZ LYS 39 -10.464 -6.419 -2.176 256 H LYS 40 H LYS 40 -8.185 -0.751 -1.532 257 HA LYS 40 HA LYS 40 -7.581 1.094 0.462 258 1HB LYS 40 1HB LYS 40 -8.741 2.635 -0.802 259 2HB LYS 40 2HB LYS 40 -8.467 1.366 -1.992 260 1HG LYS 40 1HG LYS 40 -10.697 1.403 -2.310 261 2HG LYS 40 2HG LYS 40 -10.813 0.579 -0.752 262 1HD LYS 40 1HD LYS 40 -10.406 3.178 -0.007 263 2HD LYS 40 2HD LYS 40 -11.418 3.363 -1.439 264 1HE LYS 40 1HE LYS 40 -12.090 1.457 0.818 265 2HE LYS 40 2HE LYS 40 -12.694 3.113 0.751 266 1HZ LYS 40 1HZ LYS 40 -13.101 1.900 -1.744 267 2HZ LYS 40 2HZ LYS 40 -13.705 0.858 -0.548 268 3HZ LYS 40 3HZ LYS 40 -14.265 2.461 -0.641 269 H PHE 41 H PHE 41 -8.873 2.215 2.033 270 HA PHE 41 HA PHE 41 -11.408 0.998 2.886 271 1HB PHE 41 1HB PHE 41 -8.843 0.335 4.096 272 2HB PHE 41 2HB PHE 41 -10.047 0.909 5.256 273 HD1 PHE 41 HD1 PHE 41 -12.473 -0.073 4.937 274 HD2 PHE 41 HD2 PHE 41 -8.888 -1.902 3.445 275 HE1 PHE 41 HE1 PHE 41 -13.643 -2.250 4.803 276 HE2 PHE 41 HE2 PHE 41 -10.053 -4.080 3.311 277 HZ PHE 41 HZ PHE 41 -12.433 -4.260 3.989 278 H ASN 42 H ASN 42 -12.174 2.061 4.935 279 HA ASN 42 HA ASN 42 -11.179 4.869 5.186 280 1HB ASN 42 1HB ASN 42 -13.853 3.831 4.487 281 2HB ASN 42 2HB ASN 42 -13.857 5.043 5.770 282 1HD2 ASN 42 1HD2 ASN 42 -12.691 6.127 1.985 283 2HD2 ASN 42 2HD2 ASN 42 -12.736 4.485 2.409 284 H SER 43 H SER 43 -10.528 2.543 6.765 285 HA SER 43 HA SER 43 -10.995 3.530 9.402 286 1HB SER 43 1HB SER 43 -13.082 1.864 8.295 287 2HB SER 43 2HB SER 43 -12.311 1.036 9.644 288 HG SER 43 HG SER 43 -13.514 2.311 10.807 289 H TYR 44 H TYR 44 -8.808 3.102 9.635 290 HA TYR 44 HA TYR 44 -7.175 1.070 8.865 291 1HB TYR 44 1HB TYR 44 -6.512 2.917 10.397 292 2HB TYR 44 2HB TYR 44 -7.324 2.082 11.720 293 HD1 TYR 44 HD1 TYR 44 -4.913 1.217 8.971 294 HD2 TYR 44 HD2 TYR 44 -5.947 0.841 13.121 295 HE1 TYR 44 HE1 TYR 44 -2.872 -0.136 9.354 296 HE2 TYR 44 HE2 TYR 44 -3.904 -0.513 13.506 297 HH TYR 44 HH TYR 44 -1.616 -0.746 12.373 298 H GLU 45 H GLU 45 -9.789 0.744 11.179 299 HA GLU 45 HA GLU 45 -9.013 -1.806 12.254 300 1HB GLU 45 1HB GLU 45 -11.536 -0.197 12.168 301 2HB GLU 45 2HB GLU 45 -11.641 -1.898 12.622 302 1HG GLU 45 1HG GLU 45 -9.469 -0.344 13.917 303 2HG GLU 45 2HG GLU 45 -11.112 0.072 14.404 304 H GLN 46 H GLN 46 -10.994 -0.887 9.440 305 HA GLN 46 HA GLN 46 -11.682 -3.626 8.865 306 1HB GLN 46 1HB GLN 46 -11.903 -1.137 7.168 307 2HB GLN 46 2HB GLN 46 -12.610 -2.703 6.766 308 1HG GLN 46 1HG GLN 46 -13.310 -1.896 9.468 309 2HG GLN 46 2HG GLN 46 -13.814 -0.686 8.287 310 1HE2 GLN 46 1HE2 GLN 46 -16.688 -2.796 7.988 311 2HE2 GLN 46 2HE2 GLN 46 -16.096 -1.376 8.705 312 H ALA 47 H ALA 47 -9.676 -1.198 7.294 313 HA ALA 47 HA ALA 47 -8.464 -2.746 5.346 314 1HB ALA 47 1HB ALA 47 -7.319 -0.566 7.097 315 2HB ALA 47 2HB ALA 47 -6.444 -1.245 5.722 316 3HB ALA 47 3HB ALA 47 -7.969 -0.404 5.468 317 H LYS 48 H LYS 48 -7.553 -2.429 8.756 318 HA LYS 48 HA LYS 48 -5.320 -4.246 8.604 319 1HB LYS 48 1HB LYS 48 -6.930 -3.015 10.778 320 2HB LYS 48 2HB LYS 48 -6.111 -4.524 11.180 321 1HG LYS 48 1HG LYS 48 -4.278 -2.922 9.693 322 2HG LYS 48 2HG LYS 48 -4.978 -1.905 10.953 323 1HD LYS 48 1HD LYS 48 -3.658 -4.606 11.349 324 2HD LYS 48 2HD LYS 48 -3.013 -3.042 11.847 325 1HE LYS 48 1HE LYS 48 -5.368 -2.886 13.096 326 2HE LYS 48 2HE LYS 48 -5.232 -4.643 13.040 327 1HZ LYS 48 1HZ LYS 48 -2.900 -4.280 13.931 328 2HZ LYS 48 2HZ LYS 48 -3.396 -2.700 14.299 329 3HZ LYS 48 3HZ LYS 48 -4.186 -4.025 15.012 330 H SER 49 H SER 49 -8.649 -4.742 9.834 331 HA SER 49 HA SER 49 -8.559 -7.467 10.319 332 1HB SER 49 1HB SER 49 -10.558 -5.714 10.366 333 2HB SER 49 2HB SER 49 -10.912 -6.418 8.791 334 HG SER 49 HG SER 49 -11.787 -7.975 9.891 335 H PHE 50 H PHE 50 -8.659 -5.799 7.222 336 HA PHE 50 HA PHE 50 -9.023 -8.229 5.652 337 1HB PHE 50 1HB PHE 50 -8.853 -5.375 5.162 338 2HB PHE 50 2HB PHE 50 -7.814 -6.255 4.042 339 HD1 PHE 50 HD1 PHE 50 -8.740 -7.893 2.475 340 HD2 PHE 50 HD2 PHE 50 -11.270 -5.702 5.168 341 HE1 PHE 50 HE1 PHE 50 -10.731 -8.585 1.167 342 HE2 PHE 50 HE2 PHE 50 -13.261 -6.392 3.859 343 HZ PHE 50 HZ PHE 50 -12.991 -7.833 1.860 344 H LEU 51 H LEU 51 -6.343 -6.269 6.809 345 HA LEU 51 HA LEU 51 -4.256 -7.361 5.283 346 1HB LEU 51 1HB LEU 51 -4.561 -5.767 7.688 347 2HB LEU 51 2HB LEU 51 -3.205 -6.873 7.838 348 HG LEU 51 HG LEU 51 -2.203 -6.043 5.803 349 1HD1 LEU 51 1HD1 LEU 51 -4.906 -4.807 5.463 350 2HD1 LEU 51 2HD1 LEU 51 -3.513 -3.963 4.785 351 3HD1 LEU 51 3HD1 LEU 51 -3.882 -5.610 4.272 352 1HD2 LEU 51 1HD2 LEU 51 -3.254 -3.797 7.551 353 2HD2 LEU 51 2HD2 LEU 51 -1.740 -4.676 7.764 354 3HD2 LEU 51 3HD2 LEU 51 -1.954 -3.610 6.374 355 H GLY 52 H GLY 52 -2.525 -8.461 7.392 356 1HA GLY 52 1HA GLY 52 -3.446 -11.222 7.266 357 2HA GLY 52 2HA GLY 52 -1.950 -10.663 8.011 Start of MODEL 16 1 H GLY 6 H GLY 6 -6.887 12.352 1.451 2 1HA GLY 6 1HA GLY 6 -5.876 10.707 2.754 3 2HA GLY 6 2HA GLY 6 -6.845 11.331 4.084 4 H ASN 7 H ASN 7 -6.322 8.652 2.109 5 HA ASN 7 HA ASN 7 -8.860 7.446 3.004 6 1HB ASN 7 1HB ASN 7 -7.358 6.749 0.483 7 2HB ASN 7 2HB ASN 7 -8.898 6.096 0.996 8 1HD2 ASN 7 1HD2 ASN 7 -10.711 9.125 0.179 9 2HD2 ASN 7 2HD2 ASN 7 -10.698 7.847 1.297 10 H PHE 8 H PHE 8 -8.613 4.983 3.155 11 HA PHE 8 HA PHE 8 -5.918 4.389 4.299 12 1HB PHE 8 1HB PHE 8 -8.618 3.055 4.665 13 2HB PHE 8 2HB PHE 8 -7.116 2.406 5.321 14 HD1 PHE 8 HD1 PHE 8 -5.902 3.586 7.109 15 HD2 PHE 8 HD2 PHE 8 -9.633 5.064 5.580 16 HE1 PHE 8 HE1 PHE 8 -6.109 5.089 9.070 17 HE2 PHE 8 HE2 PHE 8 -9.843 6.567 7.542 18 HZ PHE 8 HZ PHE 8 -8.081 6.580 9.286 19 H TYR 9 H TYR 9 -4.653 2.732 3.346 20 HA TYR 9 HA TYR 9 -6.051 1.187 1.208 21 1HB TYR 9 1HB TYR 9 -4.210 3.223 0.677 22 2HB TYR 9 2HB TYR 9 -3.349 1.701 0.382 23 HD1 TYR 9 HD1 TYR 9 -4.903 -0.182 -0.700 24 HD2 TYR 9 HD2 TYR 9 -5.453 4.057 -1.123 25 HE1 TYR 9 HE1 TYR 9 -6.261 -0.558 -2.733 26 HE2 TYR 9 HE2 TYR 9 -6.798 3.678 -3.174 27 HH TYR 9 HH TYR 9 -7.536 2.198 -4.629 28 H ALA 10 H ALA 10 -5.935 -0.888 1.846 29 HA ALA 10 HA ALA 10 -3.572 -1.891 3.302 30 1HB ALA 10 1HB ALA 10 -6.263 -2.850 2.676 31 2HB ALA 10 2HB ALA 10 -5.045 -4.089 2.382 32 3HB ALA 10 3HB ALA 10 -5.186 -3.351 3.980 33 H VAL 11 H VAL 11 -1.983 -1.385 1.704 34 HA VAL 11 HA VAL 11 -2.252 -2.827 -0.888 35 HB VAL 11 HB VAL 11 -0.390 -0.600 -0.050 36 1HG1 VAL 11 1HG1 VAL 11 0.316 -2.180 -1.921 37 2HG1 VAL 11 2HG1 VAL 11 -1.081 -1.554 -2.818 38 3HG1 VAL 11 3HG1 VAL 11 0.214 -0.459 -2.335 39 1HG2 VAL 11 1HG2 VAL 11 -2.942 -0.184 -0.171 40 2HG2 VAL 11 2HG2 VAL 11 -1.893 0.892 -1.090 41 3HG2 VAL 11 3HG2 VAL 11 -2.755 -0.407 -1.910 42 H ARG 12 H ARG 12 -0.518 -4.062 -1.745 43 HA ARG 12 HA ARG 12 1.709 -4.606 0.124 44 1HB ARG 12 1HB ARG 12 -0.128 -6.652 -1.120 45 2HB ARG 12 2HB ARG 12 1.490 -7.078 -0.559 46 1HG ARG 12 1HG ARG 12 0.626 -5.748 1.617 47 2HG ARG 12 2HG ARG 12 -0.925 -6.336 1.013 48 1HD ARG 12 1HD ARG 12 1.236 -8.343 0.974 49 2HD ARG 12 2HD ARG 12 0.769 -7.805 2.587 50 HE ARG 12 HE ARG 12 -1.598 -8.368 1.099 51 1HH1 ARG 12 1HH1 ARG 12 1.098 -9.821 2.687 52 2HH1 ARG 12 2HH1 ARG 12 0.317 -11.352 2.894 53 1HH2 ARG 12 1HH2 ARG 12 -2.599 -10.388 1.286 54 2HH2 ARG 12 2HH2 ARG 12 -1.775 -11.674 2.102 55 H LYS 13 H LYS 13 0.523 -5.615 -3.095 56 HA LYS 13 HA LYS 13 1.644 -5.720 -5.149 57 1HB LYS 13 1HB LYS 13 1.888 -3.207 -4.374 58 2HB LYS 13 2HB LYS 13 3.585 -3.652 -4.176 59 1HG LYS 13 1HG LYS 13 3.472 -2.895 -6.410 60 2HG LYS 13 2HG LYS 13 3.385 -4.651 -6.562 61 1HD LYS 13 1HD LYS 13 0.814 -4.320 -6.427 62 2HD LYS 13 2HD LYS 13 1.160 -2.631 -6.800 63 1HE LYS 13 1HE LYS 13 0.821 -3.605 -8.921 64 2HE LYS 13 2HE LYS 13 2.577 -3.567 -8.759 65 1HZ LYS 13 1HZ LYS 13 2.390 -5.882 -7.858 66 2HZ LYS 13 2HZ LYS 13 0.768 -5.880 -8.353 67 3HZ LYS 13 3HZ LYS 13 2.006 -5.715 -9.505 68 H GLY 14 H GLY 14 2.424 -7.814 -3.800 69 1HA GLY 14 1HA GLY 14 4.176 -9.337 -3.460 70 2HA GLY 14 2HA GLY 14 5.055 -8.399 -4.666 71 H ARG 15 H ARG 15 6.386 -6.614 -3.923 72 HA ARG 15 HA ARG 15 8.023 -7.067 -1.744 73 1HB ARG 15 1HB ARG 15 7.910 -5.093 -3.584 74 2HB ARG 15 2HB ARG 15 7.324 -4.208 -2.172 75 1HG ARG 15 1HG ARG 15 9.302 -4.792 -0.906 76 2HG ARG 15 2HG ARG 15 9.859 -5.869 -2.186 77 1HD ARG 15 1HD ARG 15 10.098 -3.965 -3.715 78 2HD ARG 15 2HD ARG 15 9.486 -2.873 -2.472 79 HE ARG 15 HE ARG 15 11.660 -4.135 -1.278 80 1HH1 ARG 15 1HH1 ARG 15 10.994 -1.394 -3.013 81 2HH1 ARG 15 2HH1 ARG 15 12.606 -1.124 -3.585 82 1HH2 ARG 15 1HH2 ARG 15 13.787 -4.203 -2.507 83 2HH2 ARG 15 2HH2 ARG 15 14.188 -2.715 -3.299 84 H GLU 16 H GLU 16 4.777 -5.779 -1.702 85 HA GLU 16 HA GLU 16 3.329 -5.574 0.146 86 1HB GLU 16 1HB GLU 16 5.422 -7.179 1.143 87 2HB GLU 16 2HB GLU 16 5.213 -5.882 2.320 88 1HG GLU 16 1HG GLU 16 3.123 -6.584 2.922 89 2HG GLU 16 2HG GLU 16 2.711 -7.091 1.282 90 H THR 17 H THR 17 2.754 -3.776 1.378 91 HA THR 17 HA THR 17 4.866 -1.751 1.896 92 HB THR 17 HB THR 17 2.834 -0.119 1.278 93 HG1 THR 17 HG1 THR 17 2.499 -1.964 -0.758 94 1HG2 THR 17 1HG2 THR 17 4.927 -1.401 -0.458 95 2HG2 THR 17 2HG2 THR 17 3.822 -0.207 -1.138 96 3HG2 THR 17 3HG2 THR 17 4.884 0.235 0.199 97 H GLY 18 H GLY 18 1.366 -2.052 2.287 98 1HA GLY 18 1HA GLY 18 0.820 -2.729 4.774 99 2HA GLY 18 2HA GLY 18 1.694 -1.238 5.133 100 H ILE 19 H ILE 19 -0.467 -0.638 6.096 101 HA ILE 19 HA ILE 19 -2.507 -0.005 4.115 102 HB ILE 19 HB ILE 19 -2.467 -0.078 7.103 103 1HG1 ILE 19 1HG1 ILE 19 -4.222 -1.307 4.961 104 2HG1 ILE 19 2HG1 ILE 19 -2.890 -2.121 5.777 105 1HG2 ILE 19 1HG2 ILE 19 -4.399 1.360 5.287 106 2HG2 ILE 19 2HG2 ILE 19 -4.962 0.641 6.795 107 3HG2 ILE 19 3HG2 ILE 19 -3.724 1.897 6.825 108 1HD1 ILE 19 1HD1 ILE 19 -5.185 -0.898 7.296 109 2HD1 ILE 19 2HD1 ILE 19 -5.231 -2.552 6.694 110 3HD1 ILE 19 3HD1 ILE 19 -4.010 -2.079 7.869 111 H TYR 20 H TYR 20 -2.505 1.947 3.139 112 HA TYR 20 HA TYR 20 -0.925 4.158 4.252 113 1HB TYR 20 1HB TYR 20 -2.843 4.190 1.939 114 2HB TYR 20 2HB TYR 20 -1.620 5.396 2.279 115 HD1 TYR 20 HD1 TYR 20 0.661 3.697 3.097 116 HD2 TYR 20 HD2 TYR 20 -2.120 3.243 -0.142 117 HE1 TYR 20 HE1 TYR 20 2.351 2.396 1.831 118 HE2 TYR 20 HE2 TYR 20 -0.427 1.948 -1.412 119 HH TYR 20 HH TYR 20 1.682 1.253 -1.475 120 H ASN 21 H ASN 21 -2.097 6.348 4.121 121 HA ASN 21 HA ASN 21 -4.899 6.343 4.955 122 1HB ASN 21 1HB ASN 21 -3.887 5.799 7.010 123 2HB ASN 21 2HB ASN 21 -2.534 6.881 6.700 124 1HD2 ASN 21 1HD2 ASN 21 -4.180 9.335 8.654 125 2HD2 ASN 21 2HD2 ASN 21 -2.773 8.420 8.401 126 H THR 22 H THR 22 -4.188 7.460 2.714 127 HA THR 22 HA THR 22 -4.182 10.328 3.194 128 HB THR 22 HB THR 22 -2.043 9.429 1.345 129 HG1 THR 22 HG1 THR 22 -1.713 8.161 3.203 130 1HG2 THR 22 1HG2 THR 22 -2.554 11.726 3.213 131 2HG2 THR 22 2HG2 THR 22 -0.940 11.425 2.568 132 3HG2 THR 22 3HG2 THR 22 -2.280 11.756 1.469 133 H TRP 23 H TRP 23 -4.688 11.513 1.168 134 HA TRP 23 HA TRP 23 -6.260 9.850 -0.662 135 1HB TRP 23 1HB TRP 23 -7.165 12.028 -0.275 136 2HB TRP 23 2HB TRP 23 -5.611 12.805 -0.579 137 HD1 TRP 23 HD1 TRP 23 -8.602 11.252 -2.336 138 HE1 TRP 23 HE1 TRP 23 -8.462 11.781 -4.856 139 HE3 TRP 23 HE3 TRP 23 -3.946 13.319 -2.534 140 HZ2 TRP 23 HZ2 TRP 23 -6.612 12.931 -6.712 141 HZ3 TRP 23 HZ3 TRP 23 -3.014 14.123 -4.689 142 HH2 TRP 23 HH2 TRP 23 -4.341 13.929 -6.775 143 H ASN 24 H ASN 24 -3.210 11.613 -0.645 144 HA ASN 24 HA ASN 24 -2.544 11.069 -3.375 145 1HB ASN 24 1HB ASN 24 -1.552 12.859 -1.779 146 2HB ASN 24 2HB ASN 24 -0.507 11.553 -1.221 147 1HD2 ASN 24 1HD2 ASN 24 1.649 11.916 -3.969 148 2HD2 ASN 24 2HD2 ASN 24 1.429 11.429 -2.358 149 H GLU 25 H GLU 25 -1.274 9.725 -0.305 150 HA GLU 25 HA GLU 25 0.296 7.651 -1.265 151 1HB GLU 25 1HB GLU 25 -1.657 7.653 1.050 152 2HB GLU 25 2HB GLU 25 -0.519 6.341 0.759 153 1HG GLU 25 1HG GLU 25 0.125 9.236 1.364 154 2HG GLU 25 2HG GLU 25 0.512 7.821 2.345 155 H CYS 26 H CYS 26 -3.215 7.890 -1.161 156 HA CYS 26 HA CYS 26 -3.800 5.191 -1.888 157 1HB CYS 26 1HB CYS 26 -5.611 6.423 -1.067 158 2HB CYS 26 2HB CYS 26 -5.242 7.812 -2.085 159 HG CYS 26 HG CYS 26 -7.324 6.330 -3.009 160 H LYS 27 H LYS 27 -4.624 7.732 -4.080 161 HA LYS 27 HA LYS 27 -4.273 6.311 -6.446 162 1HB LYS 27 1HB LYS 27 -4.509 9.066 -5.509 163 2HB LYS 27 2HB LYS 27 -3.734 8.923 -7.098 164 1HG LYS 27 1HG LYS 27 -5.759 8.580 -8.042 165 2HG LYS 27 2HG LYS 27 -5.969 7.140 -7.045 166 1HD LYS 27 1HD LYS 27 -6.766 8.620 -5.180 167 2HD LYS 27 2HD LYS 27 -6.700 9.984 -6.298 168 1HE LYS 27 1HE LYS 27 -8.607 9.362 -7.351 169 2HE LYS 27 2HE LYS 27 -8.143 7.660 -7.374 170 1HZ LYS 27 1HZ LYS 27 -8.590 8.068 -4.766 171 2HZ LYS 27 2HZ LYS 27 -9.739 9.115 -5.453 172 3HZ LYS 27 3HZ LYS 27 -9.753 7.465 -5.849 173 H ASN 28 H ASN 28 -1.938 8.427 -4.760 174 HA ASN 28 HA ASN 28 0.155 8.372 -6.626 175 1HB ASN 28 1HB ASN 28 -0.023 9.538 -4.284 176 2HB ASN 28 2HB ASN 28 0.745 8.061 -3.695 177 1HD2 ASN 28 1HD2 ASN 28 2.896 10.261 -6.439 178 2HD2 ASN 28 2HD2 ASN 28 1.215 10.122 -6.631 179 H GLN 29 H GLN 29 -0.557 5.997 -4.049 180 HA GLN 29 HA GLN 29 1.635 4.265 -4.799 181 1HB GLN 29 1HB GLN 29 -0.872 3.718 -3.187 182 2HB GLN 29 2HB GLN 29 0.494 2.609 -3.325 183 1HG GLN 29 1HG GLN 29 1.144 5.401 -2.545 184 2HG GLN 29 2HG GLN 29 0.287 4.437 -1.344 185 1HE2 GLN 29 1HE2 GLN 29 3.657 3.484 -0.518 186 2HE2 GLN 29 2HE2 GLN 29 2.449 4.615 -0.142 187 H VAL 30 H VAL 30 -1.708 4.604 -5.819 188 HA VAL 30 HA VAL 30 -1.149 2.586 -7.918 189 HB VAL 30 HB VAL 30 -3.476 1.638 -7.548 190 1HG1 VAL 30 1HG1 VAL 30 -1.388 1.353 -5.365 191 2HG1 VAL 30 2HG1 VAL 30 -2.734 0.238 -5.613 192 3HG1 VAL 30 3HG1 VAL 30 -1.487 0.404 -6.851 193 1HG2 VAL 30 1HG2 VAL 30 -4.299 3.525 -6.159 194 2HG2 VAL 30 2HG2 VAL 30 -4.447 1.981 -5.317 195 3HG2 VAL 30 3HG2 VAL 30 -3.137 3.090 -4.905 196 H ASP 31 H ASP 31 -1.033 4.476 -9.284 197 HA ASP 31 HA ASP 31 -3.680 5.754 -9.799 198 1HB ASP 31 1HB ASP 31 -1.730 7.240 -9.141 199 2HB ASP 31 2HB ASP 31 -0.961 6.765 -10.655 200 H GLY 32 H GLY 32 -1.204 3.749 -11.030 201 1HA GLY 32 1HA GLY 32 -2.496 3.764 -13.731 202 2HA GLY 32 2HA GLY 32 -0.771 3.459 -13.498 203 H TYR 33 H TYR 33 -0.366 1.636 -11.824 204 HA TYR 33 HA TYR 33 -0.349 -0.785 -11.986 205 1HB TYR 33 1HB TYR 33 -2.009 -1.524 -10.261 206 2HB TYR 33 2HB TYR 33 -1.036 -0.143 -9.759 207 HD1 TYR 33 HD1 TYR 33 -2.044 2.219 -10.414 208 HD2 TYR 33 HD2 TYR 33 -4.329 -1.391 -10.010 209 HE1 TYR 33 HE1 TYR 33 -4.096 3.565 -10.086 210 HE2 TYR 33 HE2 TYR 33 -6.390 -0.047 -9.679 211 HH TYR 33 HH TYR 33 -6.357 3.476 -10.019 212 H GLY 34 H GLY 34 -0.845 -1.802 -13.900 213 1HA GLY 34 1HA GLY 34 -3.389 -1.655 -15.215 214 2HA GLY 34 2HA GLY 34 -2.154 -2.874 -15.526 215 H GLY 35 H GLY 35 -2.403 -3.302 -12.414 216 1HA GLY 35 1HA GLY 35 -4.965 -4.393 -11.862 217 2HA GLY 35 2HA GLY 35 -3.973 -5.682 -12.548 218 H ALA 36 H ALA 36 -3.161 -2.992 -10.345 219 HA ALA 36 HA ALA 36 -1.385 -4.586 -8.764 220 1HB ALA 36 1HB ALA 36 -2.765 -1.936 -8.283 221 2HB ALA 36 2HB ALA 36 -1.688 -2.657 -7.086 222 3HB ALA 36 3HB ALA 36 -1.072 -2.226 -8.680 223 H ILE 37 H ILE 37 -1.758 -5.037 -6.373 224 HA ILE 37 HA ILE 37 -4.300 -6.451 -6.064 225 HB ILE 37 HB ILE 37 -2.175 -7.436 -5.245 226 1HG1 ILE 37 1HG1 ILE 37 -4.472 -7.876 -4.178 227 2HG1 ILE 37 2HG1 ILE 37 -3.055 -8.301 -3.220 228 1HG2 ILE 37 1HG2 ILE 37 -1.145 -5.270 -4.563 229 2HG2 ILE 37 2HG2 ILE 37 -2.241 -5.230 -3.182 230 3HG2 ILE 37 3HG2 ILE 37 -1.045 -6.518 -3.321 231 1HD1 ILE 37 1HD1 ILE 37 -3.610 -5.578 -2.639 232 2HD1 ILE 37 2HD1 ILE 37 -5.154 -6.424 -2.597 233 3HD1 ILE 37 3HD1 ILE 37 -3.826 -6.967 -1.576 234 H TYR 38 H TYR 38 -2.616 -3.871 -4.438 235 HA TYR 38 HA TYR 38 -3.453 -2.660 -2.503 236 1HB TYR 38 1HB TYR 38 -4.401 -0.674 -3.519 237 2HB TYR 38 2HB TYR 38 -3.061 -1.276 -4.482 238 HD1 TYR 38 HD1 TYR 38 -3.550 -2.682 -6.517 239 HD2 TYR 38 HD2 TYR 38 -6.601 -0.526 -4.440 240 HE1 TYR 38 HE1 TYR 38 -5.020 -2.853 -8.505 241 HE2 TYR 38 HE2 TYR 38 -8.081 -0.682 -6.405 242 HH TYR 38 HH TYR 38 -7.654 -2.805 -8.847 243 H LYS 39 H LYS 39 -4.899 -3.255 -1.003 244 HA LYS 39 HA LYS 39 -7.712 -3.816 -1.779 245 1HB LYS 39 1HB LYS 39 -6.315 -4.131 0.903 246 2HB LYS 39 2HB LYS 39 -7.949 -4.672 0.519 247 1HG LYS 39 1HG LYS 39 -5.456 -5.630 -0.906 248 2HG LYS 39 2HG LYS 39 -6.255 -6.509 0.395 249 1HD LYS 39 1HD LYS 39 -8.339 -5.920 -1.335 250 2HD LYS 39 2HD LYS 39 -7.003 -6.283 -2.428 251 1HE LYS 39 1HE LYS 39 -6.799 -8.234 -0.446 252 2HE LYS 39 2HE LYS 39 -8.534 -8.089 -0.724 253 1HZ LYS 39 1HZ LYS 39 -7.645 -8.053 -3.220 254 2HZ LYS 39 2HZ LYS 39 -6.436 -9.013 -2.512 255 3HZ LYS 39 3HZ LYS 39 -8.066 -9.483 -2.410 256 H LYS 40 H LYS 40 -8.158 -1.555 -2.230 257 HA LYS 40 HA LYS 40 -7.682 0.664 -0.661 258 1HB LYS 40 1HB LYS 40 -9.278 0.151 -2.830 259 2HB LYS 40 2HB LYS 40 -10.480 0.513 -1.591 260 1HG LYS 40 1HG LYS 40 -8.294 2.374 -1.385 261 2HG LYS 40 2HG LYS 40 -8.904 2.358 -3.043 262 1HD LYS 40 1HD LYS 40 -10.837 2.460 -0.740 263 2HD LYS 40 2HD LYS 40 -10.032 3.936 -1.268 264 1HE LYS 40 1HE LYS 40 -11.798 2.117 -2.922 265 2HE LYS 40 2HE LYS 40 -12.105 3.798 -2.482 266 1HZ LYS 40 1HZ LYS 40 -9.771 4.072 -3.671 267 2HZ LYS 40 2HZ LYS 40 -10.325 2.703 -4.511 268 3HZ LYS 40 3HZ LYS 40 -11.240 4.131 -4.526 269 H PHE 41 H PHE 41 -8.821 1.732 1.041 270 HA PHE 41 HA PHE 41 -10.953 0.306 2.456 271 1HB PHE 41 1HB PHE 41 -8.154 0.132 3.299 272 2HB PHE 41 2HB PHE 41 -9.267 0.669 4.565 273 HD1 PHE 41 HD1 PHE 41 -11.535 -0.645 4.714 274 HD2 PHE 41 HD2 PHE 41 -7.969 -2.171 2.877 275 HE1 PHE 41 HE1 PHE 41 -12.402 -2.947 4.948 276 HE2 PHE 41 HE2 PHE 41 -8.832 -4.485 3.119 277 HZ PHE 41 HZ PHE 41 -11.051 -4.874 4.156 278 H ASN 42 H ASN 42 -11.769 1.549 4.277 279 HA ASN 42 HA ASN 42 -10.979 4.433 4.202 280 1HB ASN 42 1HB ASN 42 -13.372 3.272 3.290 281 2HB ASN 42 2HB ASN 42 -13.768 4.009 4.842 282 1HD2 ASN 42 1HD2 ASN 42 -14.195 6.962 2.866 283 2HD2 ASN 42 2HD2 ASN 42 -15.018 5.691 3.633 284 H SER 43 H SER 43 -10.037 2.491 6.039 285 HA SER 43 HA SER 43 -10.503 3.696 8.528 286 1HB SER 43 1HB SER 43 -12.605 1.840 7.684 287 2HB SER 43 2HB SER 43 -11.883 1.387 9.229 288 HG SER 43 HG SER 43 -12.165 3.731 9.728 289 H TYR 44 H TYR 44 -8.343 3.228 8.852 290 HA TYR 44 HA TYR 44 -6.808 1.026 8.315 291 1HB TYR 44 1HB TYR 44 -6.016 3.037 9.538 292 2HB TYR 44 2HB TYR 44 -6.856 2.474 10.980 293 HD1 TYR 44 HD1 TYR 44 -5.545 -0.205 8.975 294 HD2 TYR 44 HD2 TYR 44 -4.496 2.663 11.995 295 HE1 TYR 44 HE1 TYR 44 -3.563 -1.569 9.587 296 HE2 TYR 44 HE2 TYR 44 -2.519 1.297 12.605 297 HH TYR 44 HH TYR 44 -1.195 -0.959 10.739 298 H GLU 45 H GLU 45 -9.420 1.180 10.634 299 HA GLU 45 HA GLU 45 -8.781 -1.239 12.065 300 1HB GLU 45 1HB GLU 45 -11.584 -0.205 11.683 301 2HB GLU 45 2HB GLU 45 -10.880 -0.992 13.097 302 1HG GLU 45 1HG GLU 45 -9.257 1.202 12.821 303 2HG GLU 45 2HG GLU 45 -10.815 1.845 12.299 304 H GLN 46 H GLN 46 -10.721 -0.553 9.165 305 HA GLN 46 HA GLN 46 -11.650 -3.270 8.936 306 1HB GLN 46 1HB GLN 46 -11.587 -1.043 6.892 307 2HB GLN 46 2HB GLN 46 -12.495 -2.548 6.740 308 1HG GLN 46 1HG GLN 46 -13.649 -1.904 8.929 309 2HG GLN 46 2HG GLN 46 -12.934 -0.306 8.716 310 1HE2 GLN 46 1HE2 GLN 46 -16.354 -0.638 7.004 311 2HE2 GLN 46 2HE2 GLN 46 -15.845 -1.151 8.539 312 H ALA 47 H ALA 47 -9.441 -1.242 7.111 313 HA ALA 47 HA ALA 47 -8.308 -3.189 5.456 314 1HB ALA 47 1HB ALA 47 -6.964 -0.823 6.798 315 2HB ALA 47 2HB ALA 47 -6.294 -1.716 5.430 316 3HB ALA 47 3HB ALA 47 -7.784 -0.795 5.239 317 H LYS 48 H LYS 48 -7.148 -2.049 8.609 318 HA LYS 48 HA LYS 48 -5.076 -3.884 9.051 319 1HB LYS 48 1HB LYS 48 -5.496 -2.105 10.652 320 2HB LYS 48 2HB LYS 48 -7.078 -2.773 11.038 321 1HG LYS 48 1HG LYS 48 -5.844 -3.648 12.787 322 2HG LYS 48 2HG LYS 48 -5.643 -4.940 11.604 323 1HD LYS 48 1HD LYS 48 -3.446 -4.400 11.180 324 2HD LYS 48 2HD LYS 48 -3.695 -2.684 11.505 325 1HE LYS 48 1HE LYS 48 -3.769 -4.807 13.661 326 2HE LYS 48 2HE LYS 48 -2.316 -3.897 13.249 327 1HZ LYS 48 1HZ LYS 48 -4.053 -1.917 13.521 328 2HZ LYS 48 2HZ LYS 48 -4.730 -3.026 14.616 329 3HZ LYS 48 3HZ LYS 48 -3.125 -2.514 14.813 330 H SER 49 H SER 49 -8.504 -4.259 9.999 331 HA SER 49 HA SER 49 -8.479 -6.837 10.994 332 1HB SER 49 1HB SER 49 -10.458 -5.115 10.275 333 2HB SER 49 2HB SER 49 -10.621 -6.324 9.004 334 HG SER 49 HG SER 49 -10.469 -7.859 10.889 335 H PHE 50 H PHE 50 -8.352 -5.811 7.604 336 HA PHE 50 HA PHE 50 -8.326 -8.542 6.584 337 1HB PHE 50 1HB PHE 50 -8.992 -6.324 5.350 338 2HB PHE 50 2HB PHE 50 -7.257 -6.175 5.064 339 HD1 PHE 50 HD1 PHE 50 -10.207 -8.381 4.559 340 HD2 PHE 50 HD2 PHE 50 -6.132 -7.559 3.475 341 HE1 PHE 50 HE1 PHE 50 -10.369 -10.020 2.705 342 HE2 PHE 50 HE2 PHE 50 -6.293 -9.199 1.621 343 HZ PHE 50 HZ PHE 50 -8.413 -10.429 1.236 344 H LEU 51 H LEU 51 -5.926 -6.113 7.503 345 HA LEU 51 HA LEU 51 -3.657 -7.328 6.380 346 1HB LEU 51 1HB LEU 51 -3.983 -5.677 8.893 347 2HB LEU 51 2HB LEU 51 -2.439 -6.103 8.194 348 HG LEU 51 HG LEU 51 -4.370 -4.053 7.352 349 1HD1 LEU 51 1HD1 LEU 51 -1.499 -4.483 7.617 350 2HD1 LEU 51 2HD1 LEU 51 -1.907 -3.664 6.107 351 3HD1 LEU 51 3HD1 LEU 51 -2.413 -2.976 7.651 352 1HD2 LEU 51 1HD2 LEU 51 -3.070 -5.881 5.316 353 2HD2 LEU 51 2HD2 LEU 51 -4.784 -5.487 5.468 354 3HD2 LEU 51 3HD2 LEU 51 -3.639 -4.255 4.934 355 H GLY 52 H GLY 52 -4.589 -7.425 9.839 356 1HA GLY 52 1HA GLY 52 -4.164 -10.310 9.949 357 2HA GLY 52 2HA GLY 52 -2.931 -9.369 10.783 Start of MODEL 17 1 H GLY 6 H GLY 6 -8.574 12.775 1.599 2 1HA GLY 6 1HA GLY 6 -6.855 11.207 1.855 3 2HA GLY 6 2HA GLY 6 -7.062 11.396 3.591 4 H ASN 7 H ASN 7 -7.056 9.083 1.310 5 HA ASN 7 HA ASN 7 -9.240 7.541 2.566 6 1HB ASN 7 1HB ASN 7 -7.828 7.167 -0.071 7 2HB ASN 7 2HB ASN 7 -8.996 6.036 0.583 8 1HD2 ASN 7 1HD2 ASN 7 -10.294 9.495 -1.126 9 2HD2 ASN 7 2HD2 ASN 7 -8.636 9.174 -0.961 10 H PHE 8 H PHE 8 -8.656 5.082 2.562 11 HA PHE 8 HA PHE 8 -5.863 4.834 3.616 12 1HB PHE 8 1HB PHE 8 -8.453 3.923 4.597 13 2HB PHE 8 2HB PHE 8 -7.336 2.574 4.395 14 HD1 PHE 8 HD1 PHE 8 -4.920 2.928 5.318 15 HD2 PHE 8 HD2 PHE 8 -8.320 5.255 6.521 16 HE1 PHE 8 HE1 PHE 8 -3.735 3.580 7.397 17 HE2 PHE 8 HE2 PHE 8 -7.134 5.910 8.600 18 HZ PHE 8 HZ PHE 8 -4.842 5.073 9.038 19 H TYR 9 H TYR 9 -4.547 3.217 2.634 20 HA TYR 9 HA TYR 9 -5.982 1.475 0.686 21 1HB TYR 9 1HB TYR 9 -4.322 3.613 -0.087 22 2HB TYR 9 2HB TYR 9 -3.418 2.125 -0.411 23 HD1 TYR 9 HD1 TYR 9 -5.075 0.122 -1.200 24 HD2 TYR 9 HD2 TYR 9 -5.668 4.324 -1.856 25 HE1 TYR 9 HE1 TYR 9 -6.568 -0.384 -3.125 26 HE2 TYR 9 HE2 TYR 9 -7.161 3.823 -3.774 27 HH TYR 9 HH TYR 9 -8.248 0.583 -4.451 28 H ALA 10 H ALA 10 -5.628 -0.555 1.360 29 HA ALA 10 HA ALA 10 -3.151 -1.217 2.756 30 1HB ALA 10 1HB ALA 10 -5.415 -2.984 1.780 31 2HB ALA 10 2HB ALA 10 -4.078 -3.533 2.790 32 3HB ALA 10 3HB ALA 10 -5.230 -2.355 3.417 33 H VAL 11 H VAL 11 -1.453 -0.967 1.293 34 HA VAL 11 HA VAL 11 -1.515 -2.798 -1.066 35 HB VAL 11 HB VAL 11 -0.462 -0.003 -1.267 36 1HG1 VAL 11 1HG1 VAL 11 -1.373 -2.142 -3.175 37 2HG1 VAL 11 2HG1 VAL 11 -1.148 -0.467 -3.678 38 3HG1 VAL 11 3HG1 VAL 11 0.221 -1.394 -3.041 39 1HG2 VAL 11 1HG2 VAL 11 -3.319 -0.943 -1.548 40 2HG2 VAL 11 2HG2 VAL 11 -2.703 0.388 -0.571 41 3HG2 VAL 11 3HG2 VAL 11 -2.731 0.527 -2.328 42 H ARG 12 H ARG 12 0.584 -3.217 -2.002 43 HA ARG 12 HA ARG 12 3.026 -2.168 -1.272 44 1HB ARG 12 1HB ARG 12 2.756 -2.649 1.025 45 2HB ARG 12 2HB ARG 12 2.039 -4.220 0.689 46 1HG ARG 12 1HG ARG 12 4.390 -4.409 1.505 47 2HG ARG 12 2HG ARG 12 4.187 -5.071 -0.117 48 1HD ARG 12 1HD ARG 12 4.750 -2.360 -0.529 49 2HD ARG 12 2HD ARG 12 5.843 -2.850 0.764 50 HE ARG 12 HE ARG 12 6.026 -4.876 -1.155 51 1HH1 ARG 12 1HH1 ARG 12 7.330 -1.881 -0.349 52 2HH1 ARG 12 2HH1 ARG 12 8.174 -1.652 -1.845 53 1HH2 ARG 12 1HH2 ARG 12 6.750 -4.419 -3.376 54 2HH2 ARG 12 2HH2 ARG 12 7.845 -3.089 -3.558 55 H LYS 13 H LYS 13 1.194 -5.068 -1.973 56 HA LYS 13 HA LYS 13 1.592 -6.696 -3.636 57 1HB LYS 13 1HB LYS 13 4.233 -5.428 -4.292 58 2HB LYS 13 2HB LYS 13 3.077 -6.217 -5.368 59 1HG LYS 13 1HG LYS 13 1.653 -4.077 -4.267 60 2HG LYS 13 2HG LYS 13 3.255 -3.416 -4.593 61 1HD LYS 13 1HD LYS 13 2.567 -5.046 -6.816 62 2HD LYS 13 2HD LYS 13 1.169 -4.028 -6.471 63 1HE LYS 13 1HE LYS 13 2.592 -2.027 -6.500 64 2HE LYS 13 2HE LYS 13 4.013 -3.028 -6.794 65 1HZ LYS 13 1HZ LYS 13 1.904 -3.557 -8.649 66 2HZ LYS 13 2HZ LYS 13 2.400 -1.932 -8.697 67 3HZ LYS 13 3HZ LYS 13 3.530 -3.175 -8.943 68 H GLY 14 H GLY 14 1.929 -8.376 -2.124 69 1HA GLY 14 1HA GLY 14 3.712 -10.174 -1.945 70 2HA GLY 14 2HA GLY 14 4.796 -8.885 -1.431 71 H ARG 15 H ARG 15 4.508 -11.025 0.238 72 HA ARG 15 HA ARG 15 2.482 -11.105 2.145 73 1HB ARG 15 1HB ARG 15 4.908 -12.301 1.921 74 2HB ARG 15 2HB ARG 15 5.241 -11.179 3.240 75 1HG ARG 15 1HG ARG 15 2.913 -12.088 4.144 76 2HG ARG 15 2HG ARG 15 3.334 -13.482 3.147 77 1HD ARG 15 1HD ARG 15 5.638 -12.592 4.665 78 2HD ARG 15 2HD ARG 15 4.279 -12.918 5.740 79 HE ARG 15 HE ARG 15 4.571 -15.205 5.273 80 1HH1 ARG 15 1HH1 ARG 15 3.969 -15.545 2.542 81 2HH1 ARG 15 2HH1 ARG 15 5.485 -15.855 1.764 82 1HH2 ARG 15 1HH2 ARG 15 7.384 -14.610 4.386 83 2HH2 ARG 15 2HH2 ARG 15 7.421 -15.325 2.810 84 H GLU 16 H GLU 16 2.240 -10.061 4.239 85 HA GLU 16 HA GLU 16 2.109 -8.143 5.587 86 1HB GLU 16 1HB GLU 16 4.747 -8.832 5.394 87 2HB GLU 16 2HB GLU 16 4.788 -7.174 4.791 88 1HG GLU 16 1HG GLU 16 3.093 -7.472 7.161 89 2HG GLU 16 2HG GLU 16 4.774 -7.915 7.465 90 H THR 17 H THR 17 0.642 -7.494 3.606 91 HA THR 17 HA THR 17 1.503 -5.658 1.645 92 HB THR 17 HB THR 17 -1.110 -4.950 2.724 93 HG1 THR 17 HG1 THR 17 -0.565 -7.667 2.121 94 1HG2 THR 17 1HG2 THR 17 0.020 -4.878 0.318 95 2HG2 THR 17 2HG2 THR 17 -0.685 -6.491 0.200 96 3HG2 THR 17 3HG2 THR 17 -1.721 -5.098 0.502 97 H GLY 18 H GLY 18 0.417 -3.208 1.846 98 1HA GLY 18 1HA GLY 18 1.499 -2.105 4.422 99 2HA GLY 18 2HA GLY 18 1.751 -1.301 2.869 100 H ILE 19 H ILE 19 0.543 0.384 4.466 101 HA ILE 19 HA ILE 19 -2.194 0.438 3.480 102 HB ILE 19 HB ILE 19 -1.592 0.503 6.433 103 1HG1 ILE 19 1HG1 ILE 19 -2.880 -1.473 4.563 104 2HG1 ILE 19 2HG1 ILE 19 -1.675 -1.762 5.810 105 1HG2 ILE 19 1HG2 ILE 19 -4.178 0.919 4.902 106 2HG2 ILE 19 2HG2 ILE 19 -4.051 0.800 6.657 107 3HG2 ILE 19 3HG2 ILE 19 -3.301 2.152 5.807 108 1HD1 ILE 19 1HD1 ILE 19 -3.990 -0.688 7.080 109 2HD1 ILE 19 2HD1 ILE 19 -4.508 -1.977 6.001 110 3HD1 ILE 19 3HD1 ILE 19 -3.307 -2.303 7.246 111 H TYR 20 H TYR 20 -2.151 2.431 2.500 112 HA TYR 20 HA TYR 20 -0.692 4.657 3.797 113 1HB TYR 20 1HB TYR 20 -2.411 4.704 1.329 114 2HB TYR 20 2HB TYR 20 -1.316 5.969 1.846 115 HD1 TYR 20 HD1 TYR 20 1.117 5.689 1.728 116 HD2 TYR 20 HD2 TYR 20 -1.549 2.656 0.270 117 HE1 TYR 20 HE1 TYR 20 2.993 4.637 0.495 118 HE2 TYR 20 HE2 TYR 20 0.330 1.608 -0.968 119 HH TYR 20 HH TYR 20 3.465 2.151 -0.362 120 H ASN 21 H ASN 21 -2.063 6.818 3.589 121 HA ASN 21 HA ASN 21 -4.890 6.488 4.248 122 1HB ASN 21 1HB ASN 21 -4.012 5.989 6.351 123 2HB ASN 21 2HB ASN 21 -2.707 7.154 6.163 124 1HD2 ASN 21 1HD2 ASN 21 -4.796 9.144 8.310 125 2HD2 ASN 21 2HD2 ASN 21 -3.460 8.097 8.295 126 H THR 22 H THR 22 -4.440 7.811 2.143 127 HA THR 22 HA THR 22 -4.655 10.631 2.807 128 HB THR 22 HB THR 22 -2.546 10.076 0.798 129 HG1 THR 22 HG1 THR 22 -1.892 10.098 3.534 130 1HG2 THR 22 1HG2 THR 22 -3.365 12.205 2.664 131 2HG2 THR 22 2HG2 THR 22 -1.627 12.021 2.433 132 3HG2 THR 22 3HG2 THR 22 -2.672 12.321 1.041 133 H TRP 23 H TRP 23 -5.121 11.919 0.819 134 HA TRP 23 HA TRP 23 -6.795 10.378 -1.030 135 1HB TRP 23 1HB TRP 23 -7.661 12.525 -0.539 136 2HB TRP 23 2HB TRP 23 -6.081 13.287 -0.690 137 HD1 TRP 23 HD1 TRP 23 -6.243 14.846 -2.703 138 HE1 TRP 23 HE1 TRP 23 -7.021 14.608 -5.149 139 HE3 TRP 23 HE3 TRP 23 -8.137 10.112 -2.562 140 HZ2 TRP 23 HZ2 TRP 23 -8.284 12.660 -6.827 141 HZ3 TRP 23 HZ3 TRP 23 -9.125 9.089 -4.594 142 HH2 TRP 23 HH2 TRP 23 -9.201 10.355 -6.724 143 H ASN 24 H ASN 24 -3.876 12.365 -1.135 144 HA ASN 24 HA ASN 24 -3.206 11.796 -3.839 145 1HB ASN 24 1HB ASN 24 -1.458 12.670 -1.530 146 2HB ASN 24 2HB ASN 24 -0.994 12.727 -3.232 147 1HD2 ASN 24 1HD2 ASN 24 -2.246 16.111 -2.623 148 2HD2 ASN 24 2HD2 ASN 24 -0.856 15.182 -2.328 149 H GLU 25 H GLU 25 -1.645 10.658 -0.819 150 HA GLU 25 HA GLU 25 0.017 8.709 -1.865 151 1HB GLU 25 1HB GLU 25 -1.703 8.501 0.617 152 2HB GLU 25 2HB GLU 25 -0.291 7.500 0.281 153 1HG GLU 25 1HG GLU 25 -0.310 10.518 0.593 154 2HG GLU 25 2HG GLU 25 0.328 9.358 1.758 155 H CYS 26 H CYS 26 -3.490 8.487 -1.284 156 HA CYS 26 HA CYS 26 -3.783 5.719 -1.935 157 1HB CYS 26 1HB CYS 26 -5.670 6.731 -0.957 158 2HB CYS 26 2HB CYS 26 -5.591 8.128 -2.028 159 HG CYS 26 HG CYS 26 -7.498 6.202 -2.649 160 H LYS 27 H LYS 27 -5.080 8.150 -4.058 161 HA LYS 27 HA LYS 27 -4.901 6.743 -6.440 162 1HB LYS 27 1HB LYS 27 -5.147 9.490 -5.501 163 2HB LYS 27 2HB LYS 27 -4.534 9.367 -7.158 164 1HG LYS 27 1HG LYS 27 -6.693 7.502 -6.830 165 2HG LYS 27 2HG LYS 27 -7.228 9.083 -6.257 166 1HD LYS 27 1HD LYS 27 -6.088 9.947 -8.466 167 2HD LYS 27 2HD LYS 27 -6.301 8.278 -8.996 168 1HE LYS 27 1HE LYS 27 -8.755 8.685 -8.002 169 2HE LYS 27 2HE LYS 27 -8.360 10.357 -8.402 170 1HZ LYS 27 1HZ LYS 27 -7.861 8.228 -10.370 171 2HZ LYS 27 2HZ LYS 27 -9.434 8.837 -10.176 172 3HZ LYS 27 3HZ LYS 27 -8.168 9.876 -10.626 173 H ASN 28 H ASN 28 -2.495 9.040 -5.100 174 HA ASN 28 HA ASN 28 -0.623 8.922 -7.206 175 1HB ASN 28 1HB ASN 28 -0.295 10.507 -5.413 176 2HB ASN 28 2HB ASN 28 -0.182 9.213 -4.221 177 1HD2 ASN 28 1HD2 ASN 28 3.263 8.769 -4.720 178 2HD2 ASN 28 2HD2 ASN 28 1.897 8.493 -3.750 179 H GLN 29 H GLN 29 -0.810 6.868 -4.289 180 HA GLN 29 HA GLN 29 1.352 5.163 -5.113 181 1HB GLN 29 1HB GLN 29 0.854 3.871 -3.215 182 2HB GLN 29 2HB GLN 29 0.302 5.474 -2.752 183 1HG GLN 29 1HG GLN 29 -1.783 4.695 -2.453 184 2HG GLN 29 2HG GLN 29 -1.833 4.085 -4.105 185 1HE2 GLN 29 1HE2 GLN 29 -0.145 0.965 -2.850 186 2HE2 GLN 29 2HE2 GLN 29 0.327 2.198 -3.913 187 H VAL 30 H VAL 30 -1.998 5.337 -5.950 188 HA VAL 30 HA VAL 30 -1.620 3.176 -7.897 189 HB VAL 30 HB VAL 30 -3.678 1.970 -7.085 190 1HG1 VAL 30 1HG1 VAL 30 -1.219 1.402 -6.506 191 2HG1 VAL 30 2HG1 VAL 30 -1.579 2.086 -4.921 192 3HG1 VAL 30 3HG1 VAL 30 -2.479 0.683 -5.501 193 1HG2 VAL 30 1HG2 VAL 30 -3.986 4.236 -5.532 194 2HG2 VAL 30 2HG2 VAL 30 -4.839 2.713 -5.280 195 3HG2 VAL 30 3HG2 VAL 30 -3.365 3.060 -4.376 196 H ASP 31 H ASP 31 -1.985 4.994 -9.346 197 HA ASP 31 HA ASP 31 -4.816 5.944 -9.384 198 1HB ASP 31 1HB ASP 31 -3.170 7.761 -9.182 199 2HB ASP 31 2HB ASP 31 -2.343 7.176 -10.626 200 H GLY 32 H GLY 32 -2.419 4.140 -11.001 201 1HA GLY 32 1HA GLY 32 -4.281 3.725 -13.299 202 2HA GLY 32 2HA GLY 32 -2.545 3.917 -13.571 203 H TYR 33 H TYR 33 -1.316 2.443 -11.781 204 HA TYR 33 HA TYR 33 -0.577 0.177 -11.722 205 1HB TYR 33 1HB TYR 33 -2.176 -1.013 -10.096 206 2HB TYR 33 2HB TYR 33 -1.422 0.485 -9.549 207 HD1 TYR 33 HD1 TYR 33 -2.727 2.671 -9.829 208 HD2 TYR 33 HD2 TYR 33 -4.524 -1.209 -10.234 209 HE1 TYR 33 HE1 TYR 33 -4.971 3.681 -9.516 210 HE2 TYR 33 HE2 TYR 33 -6.769 -0.199 -9.922 211 HH TYR 33 HH TYR 33 -7.913 1.766 -9.896 212 H GLY 34 H GLY 34 -0.682 -0.939 -13.682 213 1HA GLY 34 1HA GLY 34 -3.220 -1.779 -14.833 214 2HA GLY 34 2HA GLY 34 -1.621 -2.298 -15.372 215 H GLY 35 H GLY 35 -3.466 -2.638 -12.314 216 1HA GLY 35 1HA GLY 35 -4.372 -4.890 -11.730 217 2HA GLY 35 2HA GLY 35 -2.917 -5.573 -12.460 218 H ALA 36 H ALA 36 -3.391 -2.875 -10.152 219 HA ALA 36 HA ALA 36 -1.062 -3.670 -8.621 220 1HB ALA 36 1HB ALA 36 -3.175 -1.564 -8.382 221 2HB ALA 36 2HB ALA 36 -2.233 -1.958 -6.945 222 3HB ALA 36 3HB ALA 36 -1.421 -1.391 -8.405 223 H ILE 37 H ILE 37 -1.086 -4.399 -6.395 224 HA ILE 37 HA ILE 37 -3.184 -6.378 -5.857 225 HB ILE 37 HB ILE 37 -0.877 -6.934 -5.272 226 1HG1 ILE 37 1HG1 ILE 37 -2.879 -7.534 -3.712 227 2HG1 ILE 37 2HG1 ILE 37 -1.245 -7.750 -3.095 228 1HG2 ILE 37 1HG2 ILE 37 -1.036 -4.331 -3.779 229 2HG2 ILE 37 2HG2 ILE 37 0.178 -5.548 -3.397 230 3HG2 ILE 37 3HG2 ILE 37 0.133 -4.825 -5.003 231 1HD1 ILE 37 1HD1 ILE 37 -2.100 -5.041 -2.568 232 2HD1 ILE 37 2HD1 ILE 37 -3.320 -6.168 -1.977 233 3HD1 ILE 37 3HD1 ILE 37 -1.654 -6.302 -1.419 234 H TYR 38 H TYR 38 -2.231 -3.233 -4.921 235 HA TYR 38 HA TYR 38 -3.083 -2.476 -2.569 236 1HB TYR 38 1HB TYR 38 -3.842 -0.420 -3.425 237 2HB TYR 38 2HB TYR 38 -2.678 -1.001 -4.608 238 HD1 TYR 38 HD1 TYR 38 -4.479 -3.148 -5.881 239 HD2 TYR 38 HD2 TYR 38 -5.169 0.951 -4.824 240 HE1 TYR 38 HE1 TYR 38 -6.235 -2.998 -7.618 241 HE2 TYR 38 HE2 TYR 38 -6.931 1.105 -6.557 242 HH TYR 38 HH TYR 38 -8.508 -0.645 -7.726 243 H LYS 39 H LYS 39 -4.839 -2.272 -1.291 244 HA LYS 39 HA LYS 39 -7.471 -3.247 -2.301 245 1HB LYS 39 1HB LYS 39 -5.780 -4.429 -0.249 246 2HB LYS 39 2HB LYS 39 -7.323 -3.913 0.432 247 1HG LYS 39 1HG LYS 39 -7.663 -6.147 -0.352 248 2HG LYS 39 2HG LYS 39 -8.443 -5.089 -1.527 249 1HD LYS 39 1HD LYS 39 -6.203 -5.165 -2.809 250 2HD LYS 39 2HD LYS 39 -5.810 -6.541 -1.779 251 1HE LYS 39 1HE LYS 39 -7.883 -7.676 -2.515 252 2HE LYS 39 2HE LYS 39 -8.248 -6.310 -3.568 253 1HZ LYS 39 1HZ LYS 39 -5.594 -7.329 -3.928 254 2HZ LYS 39 2HZ LYS 39 -6.785 -8.492 -4.252 255 3HZ LYS 39 3HZ LYS 39 -6.799 -7.009 -5.083 256 H LYS 40 H LYS 40 -8.171 -1.063 -2.427 257 HA LYS 40 HA LYS 40 -7.739 1.036 -0.710 258 1HB LYS 40 1HB LYS 40 -9.528 0.548 -2.759 259 2HB LYS 40 2HB LYS 40 -10.586 0.840 -1.377 260 1HG LYS 40 1HG LYS 40 -8.403 2.717 -1.331 261 2HG LYS 40 2HG LYS 40 -9.197 2.774 -2.906 262 1HD LYS 40 1HD LYS 40 -11.240 2.582 -0.930 263 2HD LYS 40 2HD LYS 40 -10.120 3.843 -0.413 264 1HE LYS 40 1HE LYS 40 -10.823 3.863 -3.292 265 2HE LYS 40 2HE LYS 40 -12.134 4.271 -2.184 266 1HZ LYS 40 1HZ LYS 40 -9.554 5.503 -1.650 267 2HZ LYS 40 2HZ LYS 40 -10.364 6.041 -3.042 268 3HZ LYS 40 3HZ LYS 40 -11.118 6.156 -1.527 269 H PHE 41 H PHE 41 -8.801 1.893 1.128 270 HA PHE 41 HA PHE 41 -10.666 0.224 2.654 271 1HB PHE 41 1HB PHE 41 -7.789 0.238 3.183 272 2HB PHE 41 2HB PHE 41 -8.792 0.619 4.590 273 HD1 PHE 41 HD1 PHE 41 -10.892 -0.872 4.950 274 HD2 PHE 41 HD2 PHE 41 -7.525 -2.016 2.544 275 HE1 PHE 41 HE1 PHE 41 -11.569 -3.241 5.137 276 HE2 PHE 41 HE2 PHE 41 -8.196 -4.395 2.740 277 HZ PHE 41 HZ PHE 41 -10.219 -5.011 4.036 278 H ASN 42 H ASN 42 -11.386 1.314 4.608 279 HA ASN 42 HA ASN 42 -10.834 4.248 4.607 280 1HB ASN 42 1HB ASN 42 -13.061 3.315 3.576 281 2HB ASN 42 2HB ASN 42 -13.523 3.103 5.261 282 1HD2 ASN 42 1HD2 ASN 42 -13.032 6.778 5.808 283 2HD2 ASN 42 2HD2 ASN 42 -12.332 5.370 6.447 284 H SER 43 H SER 43 -9.550 2.352 6.260 285 HA SER 43 HA SER 43 -9.877 3.393 8.837 286 1HB SER 43 1HB SER 43 -11.887 1.383 8.095 287 2HB SER 43 2HB SER 43 -11.018 0.986 9.578 288 HG SER 43 HG SER 43 -12.076 3.564 9.080 289 H TYR 44 H TYR 44 -7.651 3.079 8.920 290 HA TYR 44 HA TYR 44 -6.017 1.035 8.138 291 1HB TYR 44 1HB TYR 44 -5.708 3.137 9.840 292 2HB TYR 44 2HB TYR 44 -5.594 1.794 10.973 293 HD1 TYR 44 HD1 TYR 44 -4.416 -0.231 8.939 294 HD2 TYR 44 HD2 TYR 44 -3.404 3.826 9.941 295 HE1 TYR 44 HE1 TYR 44 -2.079 -0.637 8.237 296 HE2 TYR 44 HE2 TYR 44 -1.067 3.417 9.227 297 HH TYR 44 HH TYR 44 0.116 0.242 8.553 298 H GLU 45 H GLU 45 -8.362 0.894 10.747 299 HA GLU 45 HA GLU 45 -7.462 -1.569 11.923 300 1HB GLU 45 1HB GLU 45 -10.253 -0.377 11.844 301 2HB GLU 45 2HB GLU 45 -9.713 -1.660 12.930 302 1HG GLU 45 1HG GLU 45 -9.217 0.037 14.356 303 2HG GLU 45 2HG GLU 45 -7.791 0.255 13.341 304 H GLN 46 H GLN 46 -9.841 -0.860 9.355 305 HA GLN 46 HA GLN 46 -10.490 -3.635 8.979 306 1HB GLN 46 1HB GLN 46 -10.974 -1.224 7.222 307 2HB GLN 46 2HB GLN 46 -11.647 -2.826 6.928 308 1HG GLN 46 1HG GLN 46 -12.112 -1.931 9.664 309 2HG GLN 46 2HG GLN 46 -12.813 -0.831 8.477 310 1HE2 GLN 46 1HE2 GLN 46 -14.994 -3.408 7.108 311 2HE2 GLN 46 2HE2 GLN 46 -14.019 -2.118 6.591 312 H ALA 47 H ALA 47 -8.636 -1.238 7.205 313 HA ALA 47 HA ALA 47 -7.641 -2.904 5.178 314 1HB ALA 47 1HB ALA 47 -7.367 -0.384 5.369 315 2HB ALA 47 2HB ALA 47 -6.076 -0.693 6.527 316 3HB ALA 47 3HB ALA 47 -5.916 -1.248 4.859 317 H LYS 48 H LYS 48 -6.179 -2.102 8.324 318 HA LYS 48 HA LYS 48 -3.939 -3.839 8.097 319 1HB LYS 48 1HB LYS 48 -4.475 -2.072 9.927 320 2HB LYS 48 2HB LYS 48 -5.347 -3.385 10.720 321 1HG LYS 48 1HG LYS 48 -3.432 -4.430 11.334 322 2HG LYS 48 2HG LYS 48 -2.678 -4.156 9.762 323 1HD LYS 48 1HD LYS 48 -2.365 -1.736 10.450 324 2HD LYS 48 2HD LYS 48 -2.867 -2.209 12.074 325 1HE LYS 48 1HE LYS 48 -1.039 -3.910 12.098 326 2HE LYS 48 2HE LYS 48 -0.499 -3.305 10.531 327 1HZ LYS 48 1HZ LYS 48 -0.221 -1.111 11.542 328 2HZ LYS 48 2HZ LYS 48 -0.672 -1.745 13.052 329 3HZ LYS 48 3HZ LYS 48 0.754 -2.276 12.295 330 H SER 49 H SER 49 -7.091 -4.410 9.687 331 HA SER 49 HA SER 49 -6.813 -7.039 10.476 332 1HB SER 49 1HB SER 49 -8.892 -5.812 10.840 333 2HB SER 49 2HB SER 49 -9.210 -5.778 9.107 334 HG SER 49 HG SER 49 -8.852 -8.176 10.575 335 H PHE 50 H PHE 50 -7.538 -5.878 7.181 336 HA PHE 50 HA PHE 50 -7.615 -8.572 6.076 337 1HB PHE 50 1HB PHE 50 -8.184 -5.916 5.169 338 2HB PHE 50 2HB PHE 50 -7.025 -6.641 4.055 339 HD1 PHE 50 HD1 PHE 50 -9.899 -7.980 6.067 340 HD2 PHE 50 HD2 PHE 50 -8.092 -7.551 2.196 341 HE1 PHE 50 HE1 PHE 50 -11.715 -9.342 5.069 342 HE2 PHE 50 HE2 PHE 50 -9.907 -8.913 1.196 343 HZ PHE 50 HZ PHE 50 -11.721 -9.808 2.634 344 H LEU 51 H LEU 51 -5.172 -6.177 6.721 345 HA LEU 51 HA LEU 51 -3.171 -7.041 4.923 346 1HB LEU 51 1HB LEU 51 -3.362 -5.322 7.235 347 2HB LEU 51 2HB LEU 51 -1.874 -6.256 7.289 348 HG LEU 51 HG LEU 51 -1.481 -5.555 4.874 349 1HD1 LEU 51 1HD1 LEU 51 -3.896 -3.893 5.569 350 2HD1 LEU 51 2HD1 LEU 51 -2.712 -3.312 4.396 351 3HD1 LEU 51 3HD1 LEU 51 -3.581 -4.821 4.102 352 1HD2 LEU 51 1HD2 LEU 51 -0.322 -4.499 6.790 353 2HD2 LEU 51 2HD2 LEU 51 -0.655 -3.322 5.516 354 3HD2 LEU 51 3HD2 LEU 51 -1.662 -3.362 6.965 355 H GLY 52 H GLY 52 -3.003 -7.657 8.438 356 1HA GLY 52 1HA GLY 52 -2.586 -10.530 7.940 357 2HA GLY 52 2HA GLY 52 -1.219 -9.650 8.621 Start of MODEL 18 1 H GLY 6 H GLY 6 -7.349 12.330 2.172 2 1HA GLY 6 1HA GLY 6 -7.173 10.645 -0.288 3 2HA GLY 6 2HA GLY 6 -6.010 10.617 1.032 4 H ASN 7 H ASN 7 -6.265 8.372 1.460 5 HA ASN 7 HA ASN 7 -8.531 7.760 3.162 6 1HB ASN 7 1HB ASN 7 -8.495 6.923 0.369 7 2HB ASN 7 2HB ASN 7 -8.694 5.590 1.491 8 1HD2 ASN 7 1HD2 ASN 7 -11.961 7.552 0.667 9 2HD2 ASN 7 2HD2 ASN 7 -10.651 7.240 -0.365 10 H PHE 8 H PHE 8 -8.438 5.079 3.277 11 HA PHE 8 HA PHE 8 -5.617 4.526 4.103 12 1HB PHE 8 1HB PHE 8 -8.296 3.434 4.974 13 2HB PHE 8 2HB PHE 8 -6.818 2.519 5.262 14 HD1 PHE 8 HD1 PHE 8 -8.596 5.688 5.991 15 HD2 PHE 8 HD2 PHE 8 -5.212 3.208 6.912 16 HE1 PHE 8 HE1 PHE 8 -8.121 7.078 7.987 17 HE2 PHE 8 HE2 PHE 8 -4.737 4.597 8.909 18 HZ PHE 8 HZ PHE 8 -6.193 6.533 9.449 19 H TYR 9 H TYR 9 -4.588 2.645 3.203 20 HA TYR 9 HA TYR 9 -6.244 1.192 1.188 21 1HB TYR 9 1HB TYR 9 -4.286 3.063 0.522 22 2HB TYR 9 2HB TYR 9 -3.523 1.488 0.271 23 HD1 TYR 9 HD1 TYR 9 -5.149 -0.331 -0.769 24 HD2 TYR 9 HD2 TYR 9 -5.538 3.916 -1.274 25 HE1 TYR 9 HE1 TYR 9 -6.492 -0.685 -2.803 26 HE2 TYR 9 HE2 TYR 9 -6.878 3.549 -3.333 27 HH TYR 9 HH TYR 9 -8.097 0.448 -4.193 28 H ALA 10 H ALA 10 -6.250 -0.896 1.960 29 HA ALA 10 HA ALA 10 -3.870 -1.979 3.284 30 1HB ALA 10 1HB ALA 10 -6.606 -2.673 3.201 31 2HB ALA 10 2HB ALA 10 -5.763 -3.989 2.383 32 3HB ALA 10 3HB ALA 10 -5.325 -3.553 4.035 33 H VAL 11 H VAL 11 -2.382 -1.610 1.628 34 HA VAL 11 HA VAL 11 -2.772 -3.069 -0.927 35 HB VAL 11 HB VAL 11 -0.755 -0.986 -0.070 36 1HG1 VAL 11 1HG1 VAL 11 -0.078 -2.622 -1.874 37 2HG1 VAL 11 2HG1 VAL 11 -1.410 -1.966 -2.840 38 3HG1 VAL 11 3HG1 VAL 11 -0.081 -0.915 -2.348 39 1HG2 VAL 11 1HG2 VAL 11 -3.270 -0.390 -0.297 40 2HG2 VAL 11 2HG2 VAL 11 -2.102 0.605 -1.166 41 3HG2 VAL 11 3HG2 VAL 11 -3.020 -0.630 -2.026 42 H ARG 12 H ARG 12 -1.104 -4.466 -1.755 43 HA ARG 12 HA ARG 12 1.028 -5.145 0.182 44 1HB ARG 12 1HB ARG 12 -0.969 -7.061 -1.019 45 2HB ARG 12 2HB ARG 12 0.604 -7.615 -0.445 46 1HG ARG 12 1HG ARG 12 -0.145 -7.614 1.674 47 2HG ARG 12 2HG ARG 12 -0.541 -5.899 1.546 48 1HD ARG 12 1HD ARG 12 -2.716 -6.469 1.661 49 2HD ARG 12 2HD ARG 12 -2.538 -7.229 0.080 50 HE ARG 12 HE ARG 12 -2.217 -8.678 2.676 51 1HH1 ARG 12 1HH1 ARG 12 -1.269 -10.753 1.544 52 2HH1 ARG 12 2HH1 ARG 12 -2.397 -11.442 0.425 53 1HH2 ARG 12 1HH2 ARG 12 -4.379 -8.602 0.265 54 2HH2 ARG 12 2HH2 ARG 12 -4.158 -10.225 -0.300 55 H LYS 13 H LYS 13 0.379 -4.122 -2.829 56 HA LYS 13 HA LYS 13 2.365 -5.827 -4.213 57 1HB LYS 13 1HB LYS 13 0.134 -4.779 -5.205 58 2HB LYS 13 2HB LYS 13 1.177 -3.384 -5.472 59 1HG LYS 13 1HG LYS 13 2.657 -5.661 -6.274 60 2HG LYS 13 2HG LYS 13 1.046 -5.837 -6.971 61 1HD LYS 13 1HD LYS 13 1.321 -4.063 -8.369 62 2HD LYS 13 2HD LYS 13 2.169 -3.113 -7.147 63 1HE LYS 13 1HE LYS 13 4.155 -3.662 -8.042 64 2HE LYS 13 2HE LYS 13 3.783 -5.378 -7.887 65 1HZ LYS 13 1HZ LYS 13 2.408 -3.996 -10.028 66 2HZ LYS 13 2HZ LYS 13 4.091 -4.126 -10.220 67 3HZ LYS 13 3HZ LYS 13 3.146 -5.524 -10.019 68 H GLY 14 H GLY 14 4.374 -5.265 -3.348 69 1HA GLY 14 1HA GLY 14 6.081 -3.466 -4.246 70 2HA GLY 14 2HA GLY 14 5.086 -2.378 -3.279 71 H ARG 15 H ARG 15 7.842 -2.812 -2.741 72 HA ARG 15 HA ARG 15 8.188 -4.767 -0.640 73 1HB ARG 15 1HB ARG 15 10.098 -3.874 -1.927 74 2HB ARG 15 2HB ARG 15 9.801 -2.271 -1.254 75 1HG ARG 15 1HG ARG 15 10.739 -2.803 0.747 76 2HG ARG 15 2HG ARG 15 10.010 -4.409 0.764 77 1HD ARG 15 1HD ARG 15 12.311 -4.863 0.550 78 2HD ARG 15 2HD ARG 15 11.720 -4.970 -1.108 79 HE ARG 15 HE ARG 15 12.497 -2.301 -0.764 80 1HH1 ARG 15 1HH1 ARG 15 14.697 -2.966 0.915 81 2HH1 ARG 15 2HH1 ARG 15 15.932 -3.524 -0.163 82 1HH2 ARG 15 1HH2 ARG 15 13.748 -4.085 -2.798 83 2HH2 ARG 15 2HH2 ARG 15 15.395 -4.158 -2.266 84 H GLU 16 H GLU 16 8.319 -4.355 1.639 85 HA GLU 16 HA GLU 16 7.375 -3.475 3.609 86 1HB GLU 16 1HB GLU 16 9.315 -1.919 3.070 87 2HB GLU 16 2HB GLU 16 8.129 -0.821 2.360 88 1HG GLU 16 1HG GLU 16 7.210 -0.270 4.397 89 2HG GLU 16 2HG GLU 16 7.557 -1.850 5.099 90 H THR 17 H THR 17 5.614 -3.669 1.139 91 HA THR 17 HA THR 17 3.839 -1.466 0.962 92 HB THR 17 HB THR 17 3.689 -3.287 -0.634 93 HG1 THR 17 HG1 THR 17 1.553 -3.311 -0.711 94 1HG2 THR 17 1HG2 THR 17 4.273 -4.961 1.344 95 2HG2 THR 17 2HG2 THR 17 2.520 -5.137 1.400 96 3HG2 THR 17 3HG2 THR 17 3.396 -5.512 -0.084 97 H GLY 18 H GLY 18 1.273 -2.583 1.682 98 1HA GLY 18 1HA GLY 18 0.560 -3.622 3.979 99 2HA GLY 18 2HA GLY 18 1.514 -2.296 4.644 100 H ILE 19 H ILE 19 -0.404 -1.394 5.632 101 HA ILE 19 HA ILE 19 -2.492 -0.485 3.807 102 HB ILE 19 HB ILE 19 -2.278 -0.750 6.774 103 1HG1 ILE 19 1HG1 ILE 19 -4.554 -1.375 4.893 104 2HG1 ILE 19 2HG1 ILE 19 -3.216 -2.495 5.149 105 1HG2 ILE 19 1HG2 ILE 19 -3.967 1.216 5.257 106 2HG2 ILE 19 2HG2 ILE 19 -4.656 0.414 6.668 107 3HG2 ILE 19 3HG2 ILE 19 -3.198 1.394 6.833 108 1HD1 ILE 19 1HD1 ILE 19 -3.709 -2.374 7.620 109 2HD1 ILE 19 2HD1 ILE 19 -5.158 -1.453 7.219 110 3HD1 ILE 19 3HD1 ILE 19 -4.987 -3.113 6.656 111 H TYR 20 H TYR 20 -2.716 1.630 3.169 112 HA TYR 20 HA TYR 20 -0.763 3.588 4.307 113 1HB TYR 20 1HB TYR 20 -2.425 3.782 1.803 114 2HB TYR 20 2HB TYR 20 -1.224 4.947 2.317 115 HD1 TYR 20 HD1 TYR 20 1.193 4.103 2.678 116 HD2 TYR 20 HD2 TYR 20 -1.764 1.951 0.432 117 HE1 TYR 20 HE1 TYR 20 2.987 2.813 1.552 118 HE2 TYR 20 HE2 TYR 20 0.024 0.663 -0.700 119 HH TYR 20 HH TYR 20 3.186 0.559 0.402 120 H ASN 21 H ASN 21 -1.851 5.921 3.906 121 HA ASN 21 HA ASN 21 -4.673 6.071 4.592 122 1HB ASN 21 1HB ASN 21 -3.911 5.489 6.726 123 2HB ASN 21 2HB ASN 21 -2.419 6.400 6.515 124 1HD2 ASN 21 1HD2 ASN 21 -5.526 9.016 6.789 125 2HD2 ASN 21 2HD2 ASN 21 -5.413 7.913 5.503 126 H THR 22 H THR 22 -3.876 7.203 2.439 127 HA THR 22 HA THR 22 -3.653 10.044 3.006 128 HB THR 22 HB THR 22 -1.517 8.984 1.212 129 HG1 THR 22 HG1 THR 22 -1.300 7.763 3.101 130 1HG2 THR 22 1HG2 THR 22 -2.157 11.433 2.722 131 2HG2 THR 22 2HG2 THR 22 -0.455 10.974 2.721 132 3HG2 THR 22 3HG2 THR 22 -1.298 11.236 1.192 133 H TRP 23 H TRP 23 -3.604 11.295 0.891 134 HA TRP 23 HA TRP 23 -5.479 10.054 -0.989 135 1HB TRP 23 1HB TRP 23 -5.765 12.420 -0.569 136 2HB TRP 23 2HB TRP 23 -4.071 12.735 -0.949 137 HD1 TRP 23 HD1 TRP 23 -4.168 14.072 -3.141 138 HE1 TRP 23 HE1 TRP 23 -5.192 13.665 -5.474 139 HE3 TRP 23 HE3 TRP 23 -6.873 9.856 -2.187 140 HZ2 TRP 23 HZ2 TRP 23 -6.930 11.792 -6.763 141 HZ3 TRP 23 HZ3 TRP 23 -8.206 8.778 -3.981 142 HH2 TRP 23 HH2 TRP 23 -8.238 9.743 -6.266 143 H ASN 24 H ASN 24 -2.177 11.318 -1.011 144 HA ASN 24 HA ASN 24 -1.543 10.423 -3.636 145 1HB ASN 24 1HB ASN 24 -0.358 12.178 -2.077 146 2HB ASN 24 2HB ASN 24 0.573 10.772 -1.561 147 1HD2 ASN 24 1HD2 ASN 24 2.680 11.236 -4.347 148 2HD2 ASN 24 2HD2 ASN 24 2.552 11.043 -2.666 149 H GLU 25 H GLU 25 -0.446 9.176 -0.456 150 HA GLU 25 HA GLU 25 0.847 6.864 -1.276 151 1HB GLU 25 1HB GLU 25 -1.078 7.207 1.039 152 2HB GLU 25 2HB GLU 25 0.016 5.836 0.860 153 1HG GLU 25 1HG GLU 25 1.571 8.184 0.509 154 2HG GLU 25 2HG GLU 25 0.566 8.443 1.936 155 H CYS 26 H CYS 26 -2.594 7.548 -1.197 156 HA CYS 26 HA CYS 26 -3.497 4.878 -1.733 157 1HB CYS 26 1HB CYS 26 -5.109 6.389 -0.882 158 2HB CYS 26 2HB CYS 26 -4.702 7.616 -2.083 159 HG CYS 26 HG CYS 26 -6.902 6.394 -2.863 160 H LYS 27 H LYS 27 -4.196 7.381 -4.000 161 HA LYS 27 HA LYS 27 -4.081 5.853 -6.312 162 1HB LYS 27 1HB LYS 27 -3.967 8.654 -5.494 163 2HB LYS 27 2HB LYS 27 -3.295 8.358 -7.105 164 1HG LYS 27 1HG LYS 27 -5.919 7.098 -6.382 165 2HG LYS 27 2HG LYS 27 -5.896 8.815 -6.780 166 1HD LYS 27 1HD LYS 27 -4.288 7.549 -8.726 167 2HD LYS 27 2HD LYS 27 -5.731 6.549 -8.562 168 1HE LYS 27 1HE LYS 27 -6.122 8.286 -10.241 169 2HE LYS 27 2HE LYS 27 -7.140 8.582 -8.832 170 1HZ LYS 27 1HZ LYS 27 -4.482 9.840 -9.183 171 2HZ LYS 27 2HZ LYS 27 -5.915 10.561 -9.734 172 3HZ LYS 27 3HZ LYS 27 -5.699 10.264 -8.076 173 H ASN 28 H ASN 28 -1.456 7.774 -4.816 174 HA ASN 28 HA ASN 28 0.531 7.348 -6.773 175 1HB ASN 28 1HB ASN 28 0.587 8.751 -4.562 176 2HB ASN 28 2HB ASN 28 1.225 7.270 -3.848 177 1HD2 ASN 28 1HD2 ASN 28 4.414 7.641 -5.311 178 2HD2 ASN 28 2HD2 ASN 28 3.409 6.731 -4.288 179 H GLN 29 H GLN 29 -0.162 5.340 -3.869 180 HA GLN 29 HA GLN 29 1.772 3.329 -4.574 181 1HB GLN 29 1HB GLN 29 -0.702 3.195 -2.823 182 2HB GLN 29 2HB GLN 29 0.495 1.904 -2.947 183 1HG GLN 29 1HG GLN 29 1.234 4.739 -2.193 184 2HG GLN 29 2HG GLN 29 0.811 3.517 -0.994 185 1HE2 GLN 29 1HE2 GLN 29 4.434 3.157 -1.203 186 2HE2 GLN 29 2HE2 GLN 29 3.269 4.152 -0.475 187 H VAL 30 H VAL 30 -1.483 4.012 -5.552 188 HA VAL 30 HA VAL 30 -1.338 1.741 -7.449 189 HB VAL 30 HB VAL 30 -3.761 1.228 -6.911 190 1HG1 VAL 30 1HG1 VAL 30 -1.367 0.490 -5.552 191 2HG1 VAL 30 2HG1 VAL 30 -2.634 0.639 -4.337 192 3HG1 VAL 30 3HG1 VAL 30 -2.851 -0.450 -5.710 193 1HG2 VAL 30 1HG2 VAL 30 -4.056 3.477 -5.727 194 2HG2 VAL 30 2HG2 VAL 30 -4.707 2.073 -4.882 195 3HG2 VAL 30 3HG2 VAL 30 -3.166 2.771 -4.379 196 H ASP 31 H ASP 31 -0.928 3.555 -8.944 197 HA ASP 31 HA ASP 31 -3.441 5.040 -9.620 198 1HB ASP 31 1HB ASP 31 -1.850 6.683 -8.951 199 2HB ASP 31 2HB ASP 31 -0.540 5.872 -9.809 200 H GLY 32 H GLY 32 -4.302 4.036 -11.384 201 1HA GLY 32 1HA GLY 32 -4.317 3.490 -13.724 202 2HA GLY 32 2HA GLY 32 -2.551 3.540 -13.720 203 H TYR 33 H TYR 33 -1.468 1.795 -12.440 204 HA TYR 33 HA TYR 33 -1.051 -0.555 -12.544 205 1HB TYR 33 1HB TYR 33 -2.538 -1.600 -10.720 206 2HB TYR 33 2HB TYR 33 -1.529 -0.228 -10.259 207 HD1 TYR 33 HD1 TYR 33 -2.548 2.098 -10.271 208 HD2 TYR 33 HD2 TYR 33 -4.914 -1.473 -10.537 209 HE1 TYR 33 HE1 TYR 33 -4.562 3.388 -9.618 210 HE2 TYR 33 HE2 TYR 33 -6.928 -0.189 -9.872 211 HH TYR 33 HH TYR 33 -6.846 2.764 -8.458 212 H GLY 34 H GLY 34 -1.607 -1.461 -14.543 213 1HA GLY 34 1HA GLY 34 -4.186 -1.813 -15.608 214 2HA GLY 34 2HA GLY 34 -2.836 -2.901 -15.938 215 H GLY 35 H GLY 35 -2.654 -3.385 -12.934 216 1HA GLY 35 1HA GLY 35 -5.107 -4.661 -12.117 217 2HA GLY 35 2HA GLY 35 -3.977 -5.848 -12.771 218 H ALA 36 H ALA 36 -3.784 -3.008 -10.586 219 HA ALA 36 HA ALA 36 -1.585 -4.158 -9.081 220 1HB ALA 36 1HB ALA 36 -3.195 -1.693 -9.002 221 2HB ALA 36 2HB ALA 36 -2.697 -2.272 -7.413 222 3HB ALA 36 3HB ALA 36 -1.483 -1.926 -8.648 223 H ILE 37 H ILE 37 -1.685 -4.844 -6.843 224 HA ILE 37 HA ILE 37 -4.299 -6.099 -6.184 225 HB ILE 37 HB ILE 37 -1.801 -7.205 -6.020 226 1HG1 ILE 37 1HG1 ILE 37 -3.863 -8.455 -5.851 227 2HG1 ILE 37 2HG1 ILE 37 -2.910 -8.814 -4.408 228 1HG2 ILE 37 1HG2 ILE 37 -2.484 -6.163 -3.251 229 2HG2 ILE 37 2HG2 ILE 37 -1.199 -7.319 -3.619 230 3HG2 ILE 37 3HG2 ILE 37 -1.098 -5.663 -4.215 231 1HD1 ILE 37 1HD1 ILE 37 -4.227 -6.674 -3.474 232 2HD1 ILE 37 2HD1 ILE 37 -5.409 -7.197 -4.674 233 3HD1 ILE 37 3HD1 ILE 37 -4.918 -8.296 -3.386 234 H TYR 38 H TYR 38 -5.497 -5.268 -4.502 235 HA TYR 38 HA TYR 38 -4.330 -3.971 -2.266 236 1HB TYR 38 1HB TYR 38 -4.921 -1.653 -2.762 237 2HB TYR 38 2HB TYR 38 -3.704 -2.257 -3.861 238 HD1 TYR 38 HD1 TYR 38 -7.463 -2.045 -3.609 239 HD2 TYR 38 HD2 TYR 38 -3.991 -1.885 -6.134 240 HE1 TYR 38 HE1 TYR 38 -8.897 -1.463 -5.537 241 HE2 TYR 38 HE2 TYR 38 -5.430 -1.311 -8.071 242 HH TYR 38 HH TYR 38 -8.951 -0.894 -7.685 243 H LYS 39 H LYS 39 -5.807 -3.311 -0.728 244 HA LYS 39 HA LYS 39 -8.688 -3.803 -1.361 245 1HB LYS 39 1HB LYS 39 -6.946 -4.789 0.837 246 2HB LYS 39 2HB LYS 39 -8.543 -4.222 1.326 247 1HG LYS 39 1HG LYS 39 -8.613 -6.622 0.799 248 2HG LYS 39 2HG LYS 39 -9.576 -5.712 -0.365 249 1HD LYS 39 1HD LYS 39 -7.934 -5.910 -2.055 250 2HD LYS 39 2HD LYS 39 -6.679 -6.361 -0.901 251 1HE LYS 39 1HE LYS 39 -9.024 -8.155 -0.932 252 2HE LYS 39 2HE LYS 39 -8.079 -8.152 -2.421 253 1HZ LYS 39 1HZ LYS 39 -6.610 -8.262 0.098 254 2HZ LYS 39 2HZ LYS 39 -7.453 -9.662 -0.364 255 3HZ LYS 39 3HZ LYS 39 -6.272 -9.007 -1.390 256 H LYS 40 H LYS 40 -8.985 -1.533 -1.754 257 HA LYS 40 HA LYS 40 -8.042 0.594 -0.207 258 1HB LYS 40 1HB LYS 40 -9.894 0.286 -2.279 259 2HB LYS 40 2HB LYS 40 -10.802 1.054 -0.975 260 1HG LYS 40 1HG LYS 40 -8.209 2.242 -1.085 261 2HG LYS 40 2HG LYS 40 -8.892 2.247 -2.716 262 1HD LYS 40 1HD LYS 40 -10.659 3.052 -0.438 263 2HD LYS 40 2HD LYS 40 -9.440 4.201 -0.988 264 1HE LYS 40 1HE LYS 40 -10.739 4.754 -2.736 265 2HE LYS 40 2HE LYS 40 -10.709 3.081 -3.294 266 1HZ LYS 40 1HZ LYS 40 -12.510 2.624 -1.669 267 2HZ LYS 40 2HZ LYS 40 -12.605 4.292 -1.360 268 3HZ LYS 40 3HZ LYS 40 -12.962 3.690 -2.908 269 H PHE 41 H PHE 41 -8.994 1.814 1.537 270 HA PHE 41 HA PHE 41 -11.241 0.639 3.008 271 1HB PHE 41 1HB PHE 41 -8.460 0.093 3.700 272 2HB PHE 41 2HB PHE 41 -9.427 0.730 5.039 273 HD1 PHE 41 HD1 PHE 41 -11.767 -0.307 5.401 274 HD2 PHE 41 HD2 PHE 41 -8.672 -2.176 3.087 275 HE1 PHE 41 HE1 PHE 41 -12.915 -2.484 5.630 276 HE2 PHE 41 HE2 PHE 41 -9.816 -4.362 3.323 277 HZ PHE 41 HZ PHE 41 -11.941 -4.519 4.593 278 H ASN 42 H ASN 42 -11.766 1.891 4.939 279 HA ASN 42 HA ASN 42 -10.705 4.684 4.871 280 1HB ASN 42 1HB ASN 42 -13.241 3.811 4.072 281 2HB ASN 42 2HB ASN 42 -13.486 4.463 5.691 282 1HD2 ASN 42 1HD2 ASN 42 -13.175 7.056 2.710 283 2HD2 ASN 42 2HD2 ASN 42 -13.629 5.427 2.547 284 H SER 43 H SER 43 -9.733 2.732 6.603 285 HA SER 43 HA SER 43 -10.018 3.867 9.153 286 1HB SER 43 1HB SER 43 -12.226 2.121 8.397 287 2HB SER 43 2HB SER 43 -11.394 1.531 9.835 288 HG SER 43 HG SER 43 -11.922 4.265 9.657 289 H TYR 44 H TYR 44 -7.855 3.344 9.352 290 HA TYR 44 HA TYR 44 -6.387 1.154 8.624 291 1HB TYR 44 1HB TYR 44 -5.585 3.133 9.978 292 2HB TYR 44 2HB TYR 44 -6.226 2.329 11.410 293 HD1 TYR 44 HD1 TYR 44 -4.385 1.040 8.400 294 HD2 TYR 44 HD2 TYR 44 -4.462 1.486 12.672 295 HE1 TYR 44 HE1 TYR 44 -2.303 -0.294 8.579 296 HE2 TYR 44 HE2 TYR 44 -2.380 0.150 12.849 297 HH TYR 44 HH TYR 44 -0.397 -0.374 11.293 298 H GLU 45 H GLU 45 -8.843 1.214 11.127 299 HA GLU 45 HA GLU 45 -8.128 -1.339 12.303 300 1HB GLU 45 1HB GLU 45 -10.724 0.228 12.367 301 2HB GLU 45 2HB GLU 45 -10.382 -1.192 13.357 302 1HG GLU 45 1HG GLU 45 -9.424 0.165 14.873 303 2HG GLU 45 2HG GLU 45 -8.169 0.528 13.687 304 H GLN 46 H GLN 46 -10.323 -0.308 9.724 305 HA GLN 46 HA GLN 46 -11.453 -2.936 9.393 306 1HB GLN 46 1HB GLN 46 -11.484 -0.521 7.576 307 2HB GLN 46 2HB GLN 46 -12.455 -1.975 7.340 308 1HG GLN 46 1HG GLN 46 -13.119 -1.421 9.893 309 2HG GLN 46 2HG GLN 46 -12.776 0.214 9.326 310 1HE2 GLN 46 1HE2 GLN 46 -15.673 -1.780 7.185 311 2HE2 GLN 46 2HE2 GLN 46 -14.251 -2.602 7.614 312 H ALA 47 H ALA 47 -9.254 -0.908 7.546 313 HA ALA 47 HA ALA 47 -8.493 -2.743 5.583 314 1HB ALA 47 1HB ALA 47 -6.872 -0.612 6.994 315 2HB ALA 47 2HB ALA 47 -6.293 -1.490 5.576 316 3HB ALA 47 3HB ALA 47 -7.718 -0.461 5.454 317 H LYS 48 H LYS 48 -7.166 -2.270 8.838 318 HA LYS 48 HA LYS 48 -5.187 -4.349 8.648 319 1HB LYS 48 1HB LYS 48 -6.476 -2.819 10.868 320 2HB LYS 48 2HB LYS 48 -5.655 -4.322 11.285 321 1HG LYS 48 1HG LYS 48 -4.370 -2.134 9.632 322 2HG LYS 48 2HG LYS 48 -4.185 -2.263 11.381 323 1HD LYS 48 1HD LYS 48 -3.624 -4.828 10.567 324 2HD LYS 48 2HD LYS 48 -2.953 -3.871 9.245 325 1HE LYS 48 1HE LYS 48 -2.271 -2.580 11.702 326 2HE LYS 48 2HE LYS 48 -1.857 -4.288 11.849 327 1HZ LYS 48 1HZ LYS 48 -1.053 -2.509 9.611 328 2HZ LYS 48 2HZ LYS 48 -0.047 -3.001 10.884 329 3HZ LYS 48 3HZ LYS 48 -0.639 -4.148 9.778 330 H SER 49 H SER 49 -8.457 -4.314 10.081 331 HA SER 49 HA SER 49 -8.646 -6.955 10.913 332 1HB SER 49 1HB SER 49 -10.475 -5.423 11.296 333 2HB SER 49 2HB SER 49 -10.726 -5.214 9.564 334 HG SER 49 HG SER 49 -12.199 -6.712 10.481 335 H PHE 50 H PHE 50 -8.866 -5.675 7.621 336 HA PHE 50 HA PHE 50 -9.583 -8.246 6.449 337 1HB PHE 50 1HB PHE 50 -9.324 -5.522 5.558 338 2HB PHE 50 2HB PHE 50 -8.371 -6.563 4.503 339 HD1 PHE 50 HD1 PHE 50 -11.739 -6.400 6.149 340 HD2 PHE 50 HD2 PHE 50 -9.434 -7.719 2.772 341 HE1 PHE 50 HE1 PHE 50 -13.815 -7.175 5.035 342 HE2 PHE 50 HE2 PHE 50 -11.512 -8.494 1.659 343 HZ PHE 50 HZ PHE 50 -13.701 -8.222 2.791 344 H LEU 51 H LEU 51 -6.623 -6.366 6.926 345 HA LEU 51 HA LEU 51 -4.842 -7.838 5.381 346 1HB LEU 51 1HB LEU 51 -4.694 -5.982 7.599 347 2HB LEU 51 2HB LEU 51 -3.446 -7.215 7.726 348 HG LEU 51 HG LEU 51 -2.661 -6.737 5.486 349 1HD1 LEU 51 1HD1 LEU 51 -5.010 -4.831 5.387 350 2HD1 LEU 51 2HD1 LEU 51 -3.707 -4.849 4.198 351 3HD1 LEU 51 3HD1 LEU 51 -4.757 -6.257 4.380 352 1HD2 LEU 51 1HD2 LEU 51 -3.039 -4.423 7.360 353 2HD2 LEU 51 2HD2 LEU 51 -1.554 -5.267 6.917 354 3HD2 LEU 51 3HD2 LEU 51 -2.299 -4.138 5.783 355 H GLY 52 H GLY 52 -6.288 -8.639 8.466 356 1HA GLY 52 1HA GLY 52 -6.505 -11.144 8.812 357 2HA GLY 52 2HA GLY 52 -4.782 -11.225 8.434 Start of MODEL 19 1 H GLY 6 H GLY 6 -6.245 12.312 0.839 2 1HA GLY 6 1HA GLY 6 -5.107 10.692 2.093 3 2HA GLY 6 2HA GLY 6 -5.849 11.367 3.536 4 H ASN 7 H ASN 7 -5.657 8.580 1.801 5 HA ASN 7 HA ASN 7 -8.272 7.658 2.809 6 1HB ASN 7 1HB ASN 7 -7.029 6.452 0.374 7 2HB ASN 7 2HB ASN 7 -8.707 6.452 0.868 8 1HD2 ASN 7 1HD2 ASN 7 -8.168 8.975 -1.900 9 2HD2 ASN 7 2HD2 ASN 7 -7.794 7.325 -1.759 10 H PHE 8 H PHE 8 -8.254 5.311 3.361 11 HA PHE 8 HA PHE 8 -5.537 4.506 4.242 12 1HB PHE 8 1HB PHE 8 -8.284 3.377 4.866 13 2HB PHE 8 2HB PHE 8 -6.779 2.692 5.472 14 HD1 PHE 8 HD1 PHE 8 -8.569 5.986 5.260 15 HD2 PHE 8 HD2 PHE 8 -5.953 3.436 7.520 16 HE1 PHE 8 HE1 PHE 8 -8.561 7.635 7.112 17 HE2 PHE 8 HE2 PHE 8 -5.948 5.083 9.374 18 HZ PHE 8 HZ PHE 8 -7.251 7.184 9.169 19 H TYR 9 H TYR 9 -4.573 2.529 3.440 20 HA TYR 9 HA TYR 9 -6.180 1.133 1.371 21 1HB TYR 9 1HB TYR 9 -4.299 3.043 0.670 22 2HB TYR 9 2HB TYR 9 -3.462 1.504 0.435 23 HD1 TYR 9 HD1 TYR 9 -4.741 -0.346 -0.815 24 HD2 TYR 9 HD2 TYR 9 -5.847 3.797 -0.968 25 HE1 TYR 9 HE1 TYR 9 -5.938 -0.722 -2.954 26 HE2 TYR 9 HE2 TYR 9 -7.034 3.412 -3.102 27 HH TYR 9 HH TYR 9 -8.164 1.138 -4.181 28 H ALA 10 H ALA 10 -6.132 -0.972 2.072 29 HA ALA 10 HA ALA 10 -3.725 -2.026 3.375 30 1HB ALA 10 1HB ALA 10 -6.428 -3.109 2.640 31 2HB ALA 10 2HB ALA 10 -5.117 -4.252 2.919 32 3HB ALA 10 3HB ALA 10 -5.610 -3.147 4.202 33 H VAL 11 H VAL 11 -2.091 -1.904 1.877 34 HA VAL 11 HA VAL 11 -2.608 -3.141 -0.789 35 HB VAL 11 HB VAL 11 -0.606 -1.076 0.126 36 1HG1 VAL 11 1HG1 VAL 11 0.226 -2.601 -1.676 37 2HG1 VAL 11 2HG1 VAL 11 -1.153 -2.088 -2.662 38 3HG1 VAL 11 3HG1 VAL 11 0.062 -0.908 -2.172 39 1HG2 VAL 11 1HG2 VAL 11 -3.129 -0.989 -1.539 40 2HG2 VAL 11 2HG2 VAL 11 -2.831 -0.180 -0.002 41 3HG2 VAL 11 3HG2 VAL 11 -1.977 0.343 -1.455 42 H ARG 12 H ARG 12 -0.924 -4.403 -1.787 43 HA ARG 12 HA ARG 12 1.172 -5.377 0.069 44 1HB ARG 12 1HB ARG 12 -0.458 -7.099 0.254 45 2HB ARG 12 2HB ARG 12 -0.808 -7.054 -1.472 46 1HG ARG 12 1HG ARG 12 1.307 -8.038 -2.019 47 2HG ARG 12 2HG ARG 12 1.906 -7.823 -0.373 48 1HD ARG 12 1HD ARG 12 -0.537 -9.295 -0.229 49 2HD ARG 12 2HD ARG 12 0.478 -10.053 -1.455 50 HE ARG 12 HE ARG 12 1.478 -9.516 1.313 51 1HH1 ARG 12 1HH1 ARG 12 3.637 -10.471 -0.242 52 2HH1 ARG 12 2HH1 ARG 12 3.499 -12.197 -0.210 53 1HH2 ARG 12 1HH2 ARG 12 0.184 -12.176 0.813 54 2HH2 ARG 12 2HH2 ARG 12 1.542 -13.163 0.387 55 H LYS 13 H LYS 13 0.513 -4.007 -2.855 56 HA LYS 13 HA LYS 13 3.005 -5.169 -4.030 57 1HB LYS 13 1HB LYS 13 1.214 -5.926 -5.427 58 2HB LYS 13 2HB LYS 13 0.437 -4.342 -5.403 59 1HG LYS 13 1HG LYS 13 1.606 -4.641 -7.531 60 2HG LYS 13 2HG LYS 13 2.413 -3.390 -6.585 61 1HD LYS 13 1HD LYS 13 3.765 -5.556 -5.700 62 2HD LYS 13 2HD LYS 13 3.363 -6.105 -7.328 63 1HE LYS 13 1HE LYS 13 4.220 -3.808 -8.121 64 2HE LYS 13 2HE LYS 13 4.931 -3.658 -6.514 65 1HZ LYS 13 1HZ LYS 13 5.900 -5.960 -7.003 66 2HZ LYS 13 2HZ LYS 13 5.540 -5.625 -8.627 67 3HZ LYS 13 3HZ LYS 13 6.605 -4.617 -7.769 68 H GLY 14 H GLY 14 4.345 -3.506 -3.256 69 1HA GLY 14 1HA GLY 14 4.761 -1.217 -4.771 70 2HA GLY 14 2HA GLY 14 3.636 -0.702 -3.512 71 H ARG 15 H ARG 15 4.384 -0.524 -1.376 72 HA ARG 15 HA ARG 15 7.265 -0.246 -1.061 73 1HB ARG 15 1HB ARG 15 4.899 0.041 0.793 74 2HB ARG 15 2HB ARG 15 6.552 0.126 1.401 75 1HG ARG 15 1HG ARG 15 6.972 1.885 -0.416 76 2HG ARG 15 2HG ARG 15 5.219 1.942 -0.617 77 1HD ARG 15 1HD ARG 15 5.562 3.625 0.964 78 2HD ARG 15 2HD ARG 15 5.212 2.237 1.995 79 HE ARG 15 HE ARG 15 7.414 2.395 2.806 80 1HH1 ARG 15 1HH1 ARG 15 7.065 5.052 0.948 81 2HH1 ARG 15 2HH1 ARG 15 8.695 5.139 0.371 82 1HH2 ARG 15 1HH2 ARG 15 9.553 1.984 1.537 83 2HH2 ARG 15 2HH2 ARG 15 10.107 3.399 0.704 84 H GLU 16 H GLU 16 5.350 -1.851 1.420 85 HA GLU 16 HA GLU 16 6.679 -4.433 0.873 86 1HB GLU 16 1HB GLU 16 7.492 -4.566 3.240 87 2HB GLU 16 2HB GLU 16 8.312 -3.329 2.288 88 1HG GLU 16 1HG GLU 16 7.736 -1.849 3.887 89 2HG GLU 16 2HG GLU 16 6.066 -2.033 3.347 90 H THR 17 H THR 17 3.901 -3.458 0.861 91 HA THR 17 HA THR 17 1.836 -4.414 1.465 92 HB THR 17 HB THR 17 3.314 -6.192 3.403 93 HG1 THR 17 HG1 THR 17 3.739 -7.550 1.710 94 1HG2 THR 17 1HG2 THR 17 0.770 -6.082 3.274 95 2HG2 THR 17 2HG2 THR 17 0.918 -6.771 1.658 96 3HG2 THR 17 3HG2 THR 17 1.485 -7.680 3.058 97 H GLY 18 H GLY 18 0.682 -2.952 2.621 98 1HA GLY 18 1HA GLY 18 0.499 -3.020 5.440 99 2HA GLY 18 2HA GLY 18 1.605 -1.705 5.030 100 H ILE 19 H ILE 19 -0.770 -1.041 6.246 101 HA ILE 19 HA ILE 19 -2.660 -0.334 4.147 102 HB ILE 19 HB ILE 19 -2.788 0.220 7.103 103 1HG1 ILE 19 1HG1 ILE 19 -3.901 -2.022 5.395 104 2HG1 ILE 19 2HG1 ILE 19 -2.728 -2.169 6.703 105 1HG2 ILE 19 1HG2 ILE 19 -4.872 0.332 4.905 106 2HG2 ILE 19 2HG2 ILE 19 -5.213 0.519 6.625 107 3HG2 ILE 19 3HG2 ILE 19 -4.216 1.710 5.789 108 1HD1 ILE 19 1HD1 ILE 19 -5.231 -0.816 7.468 109 2HD1 ILE 19 2HD1 ILE 19 -5.425 -2.503 7.005 110 3HD1 ILE 19 3HD1 ILE 19 -4.324 -2.068 8.308 111 H TYR 20 H TYR 20 -2.503 1.584 3.088 112 HA TYR 20 HA TYR 20 -0.703 3.668 4.116 113 1HB TYR 20 1HB TYR 20 -2.553 3.721 1.743 114 2HB TYR 20 2HB TYR 20 -1.265 4.868 2.059 115 HD1 TYR 20 HD1 TYR 20 0.958 3.307 2.957 116 HD2 TYR 20 HD2 TYR 20 -1.900 2.369 -0.107 117 HE1 TYR 20 HE1 TYR 20 2.617 1.820 1.869 118 HE2 TYR 20 HE2 TYR 20 -0.237 0.883 -1.199 119 HH TYR 20 HH TYR 20 2.136 -0.447 0.046 120 H ASN 21 H ASN 21 -1.748 5.991 3.712 121 HA ASN 21 HA ASN 21 -4.512 6.262 4.590 122 1HB ASN 21 1HB ASN 21 -3.561 5.708 6.668 123 2HB ASN 21 2HB ASN 21 -2.108 6.638 6.321 124 1HD2 ASN 21 1HD2 ASN 21 -3.420 9.593 7.739 125 2HD2 ASN 21 2HD2 ASN 21 -2.059 8.736 7.193 126 H THR 22 H THR 22 -3.713 7.241 2.311 127 HA THR 22 HA THR 22 -3.500 10.113 2.689 128 HB THR 22 HB THR 22 -1.410 9.012 0.892 129 HG1 THR 22 HG1 THR 22 -0.899 7.791 2.601 130 1HG2 THR 22 1HG2 THR 22 -2.108 11.492 2.153 131 2HG2 THR 22 2HG2 THR 22 -0.472 11.033 2.624 132 3HG2 THR 22 3HG2 THR 22 -0.887 11.185 0.916 133 H TRP 23 H TRP 23 -3.886 11.242 0.592 134 HA TRP 23 HA TRP 23 -5.549 9.599 -1.179 135 1HB TRP 23 1HB TRP 23 -6.369 11.811 -0.934 136 2HB TRP 23 2HB TRP 23 -4.765 12.515 -1.135 137 HD1 TRP 23 HD1 TRP 23 -7.717 11.156 -3.093 138 HE1 TRP 23 HE1 TRP 23 -7.353 11.629 -5.603 139 HE3 TRP 23 HE3 TRP 23 -2.913 12.839 -2.966 140 HZ2 TRP 23 HZ2 TRP 23 -5.284 12.600 -7.330 141 HZ3 TRP 23 HZ3 TRP 23 -1.760 13.533 -5.053 142 HH2 TRP 23 HH2 TRP 23 -2.940 13.413 -7.232 143 H ASN 24 H ASN 24 -2.423 11.226 -1.205 144 HA ASN 24 HA ASN 24 -1.710 10.541 -3.884 145 1HB ASN 24 1HB ASN 24 -0.640 12.323 -2.382 146 2HB ASN 24 2HB ASN 24 0.235 10.990 -1.627 147 1HD2 ASN 24 1HD2 ASN 24 1.311 12.263 -5.344 148 2HD2 ASN 24 2HD2 ASN 24 -0.044 12.921 -4.561 149 H GLU 25 H GLU 25 -0.594 9.217 -0.754 150 HA GLU 25 HA GLU 25 0.866 7.030 -1.654 151 1HB GLU 25 1HB GLU 25 -1.067 7.208 0.674 152 2HB GLU 25 2HB GLU 25 0.026 5.848 0.428 153 1HG GLU 25 1HG GLU 25 0.747 8.736 0.962 154 2HG GLU 25 2HG GLU 25 1.138 7.323 1.944 155 H CYS 26 H CYS 26 -2.635 7.448 -1.479 156 HA CYS 26 HA CYS 26 -3.359 4.774 -2.140 157 1HB CYS 26 1HB CYS 26 -5.078 6.172 -1.312 158 2HB CYS 26 2HB CYS 26 -4.718 7.432 -2.491 159 HG CYS 26 HG CYS 26 -6.587 6.331 -3.737 160 H LYS 27 H LYS 27 -4.139 7.274 -4.404 161 HA LYS 27 HA LYS 27 -3.977 5.876 -6.749 162 1HB LYS 27 1HB LYS 27 -3.614 8.633 -5.840 163 2HB LYS 27 2HB LYS 27 -2.922 8.306 -7.434 164 1HG LYS 27 1HG LYS 27 -5.202 8.989 -7.806 165 2HG LYS 27 2HG LYS 27 -5.158 7.243 -8.047 166 1HD LYS 27 1HD LYS 27 -6.186 6.808 -5.972 167 2HD LYS 27 2HD LYS 27 -5.802 8.411 -5.345 168 1HE LYS 27 1HE LYS 27 -7.899 8.998 -5.950 169 2HE LYS 27 2HE LYS 27 -7.312 8.956 -7.612 170 1HZ LYS 27 1HZ LYS 27 -7.828 6.336 -6.903 171 2HZ LYS 27 2HZ LYS 27 -9.152 7.233 -6.333 172 3HZ LYS 27 3HZ LYS 27 -8.720 7.304 -7.973 173 H ASN 28 H ASN 28 -1.251 7.708 -5.309 174 HA ASN 28 HA ASN 28 0.779 7.075 -7.093 175 1HB ASN 28 1HB ASN 28 1.215 8.506 -5.180 176 2HB ASN 28 2HB ASN 28 0.907 7.170 -4.066 177 1HD2 ASN 28 1HD2 ASN 28 4.368 6.487 -4.096 178 2HD2 ASN 28 2HD2 ASN 28 2.992 6.847 -3.171 179 H GLN 29 H GLN 29 -0.352 5.082 -4.368 180 HA GLN 29 HA GLN 29 1.459 2.901 -4.977 181 1HB GLN 29 1HB GLN 29 -1.020 3.069 -3.246 182 2HB GLN 29 2HB GLN 29 0.030 1.652 -3.330 183 1HG GLN 29 1HG GLN 29 1.179 4.371 -2.735 184 2HG GLN 29 2HG GLN 29 0.463 3.401 -1.447 185 1HE2 GLN 29 1HE2 GLN 29 4.182 2.616 -2.020 186 2HE2 GLN 29 2HE2 GLN 29 3.380 4.110 -1.961 187 H VAL 30 H VAL 30 -1.793 3.779 -5.983 188 HA VAL 30 HA VAL 30 -1.705 1.541 -7.907 189 HB VAL 30 HB VAL 30 -4.071 0.893 -7.284 190 1HG1 VAL 30 1HG1 VAL 30 -1.978 -0.348 -6.589 191 2HG1 VAL 30 2HG1 VAL 30 -2.036 0.538 -5.065 192 3HG1 VAL 30 3HG1 VAL 30 -3.346 -0.563 -5.497 193 1HG2 VAL 30 1HG2 VAL 30 -3.374 2.624 -4.892 194 2HG2 VAL 30 2HG2 VAL 30 -4.709 2.866 -6.019 195 3HG2 VAL 30 3HG2 VAL 30 -4.718 1.482 -4.925 196 H ASP 31 H ASP 31 -1.366 3.809 -8.991 197 HA ASP 31 HA ASP 31 -4.046 4.880 -9.758 198 1HB ASP 31 1HB ASP 31 -2.759 6.634 -8.718 199 2HB ASP 31 2HB ASP 31 -1.335 6.225 -9.676 200 H GLY 32 H GLY 32 -1.081 3.488 -10.792 201 1HA GLY 32 1HA GLY 32 -2.092 3.467 -13.601 202 2HA GLY 32 2HA GLY 32 -0.386 3.753 -13.249 203 H TYR 33 H TYR 33 -2.642 1.402 -11.783 204 HA TYR 33 HA TYR 33 -0.783 -0.723 -12.665 205 1HB TYR 33 1HB TYR 33 -2.460 -0.641 -10.150 206 2HB TYR 33 2HB TYR 33 -1.381 -1.955 -10.621 207 HD1 TYR 33 HD1 TYR 33 -1.318 1.769 -10.229 208 HD2 TYR 33 HD2 TYR 33 0.779 -1.942 -9.750 209 HE1 TYR 33 HE1 TYR 33 0.599 2.987 -9.233 210 HE2 TYR 33 HE2 TYR 33 2.699 -0.731 -8.749 211 HH TYR 33 HH TYR 33 2.632 2.818 -8.363 212 H GLY 34 H GLY 34 -1.774 -1.738 -14.350 213 1HA GLY 34 1HA GLY 34 -4.670 -1.922 -14.555 214 2HA GLY 34 2HA GLY 34 -3.505 -2.680 -15.641 215 H GLY 35 H GLY 35 -4.117 -3.040 -12.114 216 1HA GLY 35 1HA GLY 35 -5.422 -5.229 -11.616 217 2HA GLY 35 2HA GLY 35 -4.160 -5.988 -12.585 218 H ALA 36 H ALA 36 -3.679 -3.333 -10.271 219 HA ALA 36 HA ALA 36 -1.480 -4.731 -9.007 220 1HB ALA 36 1HB ALA 36 -2.558 -2.100 -8.960 221 2HB ALA 36 2HB ALA 36 -2.557 -2.694 -7.297 222 3HB ALA 36 3HB ALA 36 -1.054 -2.661 -8.229 223 H ILE 37 H ILE 37 -1.424 -5.403 -6.743 224 HA ILE 37 HA ILE 37 -3.988 -6.614 -5.911 225 HB ILE 37 HB ILE 37 -1.455 -7.598 -5.718 226 1HG1 ILE 37 1HG1 ILE 37 -3.456 -8.908 -5.345 227 2HG1 ILE 37 2HG1 ILE 37 -2.420 -9.103 -3.930 228 1HG2 ILE 37 1HG2 ILE 37 -2.079 -6.317 -3.038 229 2HG2 ILE 37 2HG2 ILE 37 -0.770 -7.468 -3.335 230 3HG2 ILE 37 3HG2 ILE 37 -0.738 -5.879 -4.102 231 1HD1 ILE 37 1HD1 ILE 37 -3.795 -6.935 -3.129 232 2HD1 ILE 37 2HD1 ILE 37 -5.007 -7.644 -4.197 233 3HD1 ILE 37 3HD1 ILE 37 -4.377 -8.575 -2.836 234 H TYR 38 H TYR 38 -5.215 -5.699 -4.293 235 HA TYR 38 HA TYR 38 -4.108 -4.163 -2.173 236 1HB TYR 38 1HB TYR 38 -4.661 -1.934 -2.841 237 2HB TYR 38 2HB TYR 38 -3.633 -2.626 -4.074 238 HD1 TYR 38 HD1 TYR 38 -7.290 -2.234 -3.248 239 HD2 TYR 38 HD2 TYR 38 -4.289 -2.554 -6.308 240 HE1 TYR 38 HE1 TYR 38 -9.015 -1.842 -4.982 241 HE2 TYR 38 HE2 TYR 38 -6.019 -2.160 -8.040 242 HH TYR 38 HH TYR 38 -8.221 -1.171 -8.251 243 H LYS 39 H LYS 39 -5.649 -3.273 -0.764 244 HA LYS 39 HA LYS 39 -8.520 -3.780 -1.330 245 1HB LYS 39 1HB LYS 39 -6.826 -5.041 0.764 246 2HB LYS 39 2HB LYS 39 -8.367 -4.393 1.327 247 1HG LYS 39 1HG LYS 39 -8.906 -6.596 0.687 248 2HG LYS 39 2HG LYS 39 -9.390 -5.633 -0.710 249 1HD LYS 39 1HD LYS 39 -7.557 -6.321 -1.987 250 2HD LYS 39 2HD LYS 39 -6.600 -6.746 -0.568 251 1HE LYS 39 1HE LYS 39 -7.260 -8.837 -1.439 252 2HE LYS 39 2HE LYS 39 -8.417 -8.544 -0.141 253 1HZ LYS 39 1HZ LYS 39 -8.986 -7.672 -2.900 254 2HZ LYS 39 2HZ LYS 39 -9.299 -9.269 -2.413 255 3HZ LYS 39 3HZ LYS 39 -10.074 -7.972 -1.635 256 H LYS 40 H LYS 40 -8.329 -1.409 -1.644 257 HA LYS 40 HA LYS 40 -7.330 0.366 0.269 258 1HB LYS 40 1HB LYS 40 -8.145 1.998 -1.074 259 2HB LYS 40 2HB LYS 40 -8.475 0.654 -2.160 260 1HG LYS 40 1HG LYS 40 -10.542 1.585 -2.149 261 2HG LYS 40 2HG LYS 40 -10.720 0.572 -0.720 262 1HD LYS 40 1HD LYS 40 -10.535 2.367 0.740 263 2HD LYS 40 2HD LYS 40 -9.589 3.324 -0.401 264 1HE LYS 40 1HE LYS 40 -12.539 2.678 -0.683 265 2HE LYS 40 2HE LYS 40 -11.880 4.227 -0.156 266 1HZ LYS 40 1HZ LYS 40 -10.545 3.695 -2.465 267 2HZ LYS 40 2HZ LYS 40 -12.115 3.148 -2.799 268 3HZ LYS 40 3HZ LYS 40 -11.863 4.754 -2.302 269 H PHE 41 H PHE 41 -8.510 1.783 1.777 270 HA PHE 41 HA PHE 41 -11.079 0.829 2.820 271 1HB PHE 41 1HB PHE 41 -8.526 0.027 3.960 272 2HB PHE 41 2HB PHE 41 -9.595 0.802 5.135 273 HD1 PHE 41 HD1 PHE 41 -12.076 0.020 5.146 274 HD2 PHE 41 HD2 PHE 41 -8.870 -2.222 3.376 275 HE1 PHE 41 HE1 PHE 41 -13.459 -2.031 5.242 276 HE2 PHE 41 HE2 PHE 41 -10.255 -4.277 3.469 277 HZ PHE 41 HZ PHE 41 -12.551 -4.183 4.403 278 H ASN 42 H ASN 42 -11.647 2.138 4.845 279 HA ASN 42 HA ASN 42 -10.439 4.865 4.709 280 1HB ASN 42 1HB ASN 42 -12.688 4.681 3.581 281 2HB ASN 42 2HB ASN 42 -13.360 4.195 5.136 282 1HD2 ASN 42 1HD2 ASN 42 -11.931 8.052 4.823 283 2HD2 ASN 42 2HD2 ASN 42 -11.171 6.818 3.938 284 H SER 43 H SER 43 -9.786 2.692 6.488 285 HA SER 43 HA SER 43 -9.865 3.978 9.007 286 1HB SER 43 1HB SER 43 -12.267 2.477 8.302 287 2HB SER 43 2HB SER 43 -11.508 1.852 9.768 288 HG SER 43 HG SER 43 -11.802 4.625 9.408 289 H TYR 44 H TYR 44 -7.769 3.217 9.136 290 HA TYR 44 HA TYR 44 -6.495 0.929 8.492 291 1HB TYR 44 1HB TYR 44 -5.946 2.934 10.250 292 2HB TYR 44 2HB TYR 44 -6.117 1.573 11.356 293 HD1 TYR 44 HD1 TYR 44 -5.083 -0.709 9.949 294 HD2 TYR 44 HD2 TYR 44 -3.690 3.353 9.873 295 HE1 TYR 44 HE1 TYR 44 -2.814 -1.498 9.332 296 HE2 TYR 44 HE2 TYR 44 -1.421 2.566 9.256 297 HH TYR 44 HH TYR 44 -0.224 -0.131 9.723 298 H GLU 45 H GLU 45 -8.930 1.145 11.038 299 HA GLU 45 HA GLU 45 -8.497 -1.449 12.185 300 1HB GLU 45 1HB GLU 45 -10.956 0.313 12.053 301 2HB GLU 45 2HB GLU 45 -10.881 -1.184 12.981 302 1HG GLU 45 1HG GLU 45 -8.550 0.338 13.608 303 2HG GLU 45 2HG GLU 45 -9.941 1.415 13.731 304 H GLN 46 H GLN 46 -10.661 -0.361 9.552 305 HA GLN 46 HA GLN 46 -11.801 -2.946 9.154 306 1HB GLN 46 1HB GLN 46 -11.574 -0.666 7.191 307 2HB GLN 46 2HB GLN 46 -12.749 -1.983 7.140 308 1HG GLN 46 1HG GLN 46 -13.281 -1.085 9.603 309 2HG GLN 46 2HG GLN 46 -12.658 0.415 8.914 310 1HE2 GLN 46 1HE2 GLN 46 -16.412 -0.323 8.174 311 2HE2 GLN 46 2HE2 GLN 46 -15.534 -0.725 9.569 312 H ALA 47 H ALA 47 -9.416 -1.049 7.406 313 HA ALA 47 HA ALA 47 -8.608 -2.983 5.559 314 1HB ALA 47 1HB ALA 47 -7.009 -0.835 6.967 315 2HB ALA 47 2HB ALA 47 -6.391 -1.769 5.605 316 3HB ALA 47 3HB ALA 47 -7.784 -0.716 5.394 317 H LYS 48 H LYS 48 -7.217 -2.280 8.759 318 HA LYS 48 HA LYS 48 -5.298 -4.318 8.905 319 1HB LYS 48 1HB LYS 48 -6.931 -2.870 10.914 320 2HB LYS 48 2HB LYS 48 -6.273 -4.412 11.445 321 1HG LYS 48 1HG LYS 48 -4.324 -2.805 9.968 322 2HG LYS 48 2HG LYS 48 -4.896 -2.009 11.432 323 1HD LYS 48 1HD LYS 48 -4.518 -4.547 12.353 324 2HD LYS 48 2HD LYS 48 -3.254 -4.453 11.127 325 1HE LYS 48 1HE LYS 48 -2.946 -2.032 12.324 326 2HE LYS 48 2HE LYS 48 -3.509 -2.993 13.692 327 1HZ LYS 48 1HZ LYS 48 -1.777 -4.676 12.942 328 2HZ LYS 48 2HZ LYS 48 -1.124 -3.422 11.998 329 3HZ LYS 48 3HZ LYS 48 -1.210 -3.262 13.687 330 H SER 49 H SER 49 -8.542 -4.633 10.368 331 HA SER 49 HA SER 49 -8.599 -7.334 10.856 332 1HB SER 49 1HB SER 49 -10.511 -5.310 10.675 333 2HB SER 49 2HB SER 49 -11.070 -6.530 9.530 334 HG SER 49 HG SER 49 -11.446 -7.854 11.134 335 H PHE 50 H PHE 50 -8.983 -5.768 7.702 336 HA PHE 50 HA PHE 50 -9.559 -8.254 6.301 337 1HB PHE 50 1HB PHE 50 -9.070 -5.409 5.571 338 2HB PHE 50 2HB PHE 50 -8.739 -6.617 4.329 339 HD1 PHE 50 HD1 PHE 50 -11.319 -6.546 7.044 340 HD2 PHE 50 HD2 PHE 50 -10.539 -6.558 2.818 341 HE1 PHE 50 HE1 PHE 50 -13.749 -6.754 6.594 342 HE2 PHE 50 HE2 PHE 50 -12.970 -6.767 2.371 343 HZ PHE 50 HZ PHE 50 -14.575 -6.865 4.260 344 H LEU 51 H LEU 51 -6.678 -6.370 7.055 345 HA LEU 51 HA LEU 51 -4.848 -7.425 5.273 346 1HB LEU 51 1HB LEU 51 -4.516 -6.708 8.187 347 2HB LEU 51 2HB LEU 51 -3.183 -6.995 7.087 348 HG LEU 51 HG LEU 51 -5.165 -4.739 7.095 349 1HD1 LEU 51 1HD1 LEU 51 -2.379 -5.104 7.668 350 2HD1 LEU 51 2HD1 LEU 51 -2.536 -4.013 6.288 351 3HD1 LEU 51 3HD1 LEU 51 -3.344 -3.636 7.812 352 1HD2 LEU 51 1HD2 LEU 51 -3.817 -5.985 4.737 353 2HD2 LEU 51 2HD2 LEU 51 -5.374 -5.160 4.835 354 3HD2 LEU 51 3HD2 LEU 51 -3.877 -4.225 4.814 355 H GLY 52 H GLY 52 -4.374 -8.542 8.570 356 1HA GLY 52 1HA GLY 52 -4.897 -11.337 7.766 357 2HA GLY 52 2HA GLY 52 -3.246 -10.930 8.220 Start of MODEL 20 1 H GLY 6 H GLY 6 -7.878 11.094 -0.850 2 1HA GLY 6 1HA GLY 6 -6.030 10.611 0.668 3 2HA GLY 6 2HA GLY 6 -6.719 11.756 1.814 4 H ASN 7 H ASN 7 -6.168 8.586 1.578 5 HA ASN 7 HA ASN 7 -8.341 7.951 3.406 6 1HB ASN 7 1HB ASN 7 -8.486 7.235 0.595 7 2HB ASN 7 2HB ASN 7 -8.594 5.840 1.650 8 1HD2 ASN 7 1HD2 ASN 7 -12.030 6.556 2.037 9 2HD2 ASN 7 2HD2 ASN 7 -10.855 5.433 1.550 10 H PHE 8 H PHE 8 -8.289 5.307 3.502 11 HA PHE 8 HA PHE 8 -5.441 4.691 4.143 12 1HB PHE 8 1HB PHE 8 -8.082 3.693 5.176 13 2HB PHE 8 2HB PHE 8 -6.653 2.669 5.317 14 HD1 PHE 8 HD1 PHE 8 -8.004 6.047 6.140 15 HD2 PHE 8 HD2 PHE 8 -5.008 3.084 6.979 16 HE1 PHE 8 HE1 PHE 8 -7.270 7.348 8.118 17 HE2 PHE 8 HE2 PHE 8 -4.275 4.388 8.959 18 HZ PHE 8 HZ PHE 8 -5.406 6.520 9.529 19 H TYR 9 H TYR 9 -4.496 2.749 3.282 20 HA TYR 9 HA TYR 9 -6.220 1.338 1.306 21 1HB TYR 9 1HB TYR 9 -4.260 3.180 0.556 22 2HB TYR 9 2HB TYR 9 -3.548 1.589 0.255 23 HD1 TYR 9 HD1 TYR 9 -5.253 -0.191 -0.731 24 HD2 TYR 9 HD2 TYR 9 -5.629 4.073 -1.113 25 HE1 TYR 9 HE1 TYR 9 -6.754 -0.492 -2.688 26 HE2 TYR 9 HE2 TYR 9 -7.132 3.771 -3.062 27 HH TYR 9 HH TYR 9 -7.907 2.288 -4.562 28 H ALA 10 H ALA 10 -6.211 -0.750 1.907 29 HA ALA 10 HA ALA 10 -3.892 -1.897 3.300 30 1HB ALA 10 1HB ALA 10 -6.504 -3.069 2.292 31 2HB ALA 10 2HB ALA 10 -5.254 -4.045 3.062 32 3HB ALA 10 3HB ALA 10 -6.051 -2.758 3.969 33 H VAL 11 H VAL 11 -2.280 -1.603 1.722 34 HA VAL 11 HA VAL 11 -2.718 -2.949 -0.882 35 HB VAL 11 HB VAL 11 -0.479 -1.104 -0.071 36 1HG1 VAL 11 1HG1 VAL 11 -0.225 -2.639 -2.063 37 2HG1 VAL 11 2HG1 VAL 11 -1.600 -1.789 -2.788 38 3HG1 VAL 11 3HG1 VAL 11 -0.114 -0.909 -2.429 39 1HG2 VAL 11 1HG2 VAL 11 -2.764 -0.082 0.167 40 2HG2 VAL 11 2HG2 VAL 11 -1.777 0.690 -1.074 41 3HG2 VAL 11 3HG2 VAL 11 -3.050 -0.438 -1.534 42 H ARG 12 H ARG 12 -1.155 -4.339 -1.786 43 HA ARG 12 HA ARG 12 1.093 -5.172 -0.115 44 1HB ARG 12 1HB ARG 12 -1.204 -6.530 0.320 45 2HB ARG 12 2HB ARG 12 -0.568 -7.456 -1.040 46 1HG ARG 12 1HG ARG 12 1.452 -7.969 0.127 47 2HG ARG 12 2HG ARG 12 1.111 -6.777 1.383 48 1HD ARG 12 1HD ARG 12 0.641 -9.187 2.034 49 2HD ARG 12 2HD ARG 12 -0.714 -8.078 2.242 50 HE ARG 12 HE ARG 12 -0.906 -9.204 -0.359 51 1HH1 ARG 12 1HH1 ARG 12 -0.062 -11.658 1.156 52 2HH1 ARG 12 2HH1 ARG 12 -1.585 -12.291 1.688 53 1HH2 ARG 12 1HH2 ARG 12 -3.317 -9.343 1.106 54 2HH2 ARG 12 2HH2 ARG 12 -3.426 -10.981 1.663 55 H LYS 13 H LYS 13 0.181 -4.211 -2.996 56 HA LYS 13 HA LYS 13 1.490 -6.304 -4.618 57 1HB LYS 13 1HB LYS 13 -0.571 -4.627 -5.193 58 2HB LYS 13 2HB LYS 13 0.779 -3.705 -5.856 59 1HG LYS 13 1HG LYS 13 -0.037 -6.536 -6.553 60 2HG LYS 13 2HG LYS 13 -0.005 -5.133 -7.620 61 1HD LYS 13 1HD LYS 13 2.552 -5.070 -6.915 62 2HD LYS 13 2HD LYS 13 2.272 -6.781 -6.591 63 1HE LYS 13 1HE LYS 13 3.013 -6.618 -8.875 64 2HE LYS 13 2HE LYS 13 1.282 -6.956 -8.919 65 1HZ LYS 13 1HZ LYS 13 2.512 -4.263 -9.147 66 2HZ LYS 13 2HZ LYS 13 1.899 -5.171 -10.441 67 3HZ LYS 13 3HZ LYS 13 0.852 -4.610 -9.226 68 H GLY 14 H GLY 14 1.883 -2.748 -4.382 69 1HA GLY 14 1HA GLY 14 4.563 -2.813 -5.433 70 2HA GLY 14 2HA GLY 14 3.813 -1.434 -4.632 71 H ARG 15 H ARG 15 6.219 -1.429 -3.854 72 HA ARG 15 HA ARG 15 6.947 -3.348 -1.798 73 1HB ARG 15 1HB ARG 15 8.701 -1.514 -1.270 74 2HB ARG 15 2HB ARG 15 8.784 -2.291 -2.852 75 1HG ARG 15 1HG ARG 15 8.058 -0.416 -3.966 76 2HG ARG 15 2HG ARG 15 7.047 0.118 -2.623 77 1HD ARG 15 1HD ARG 15 8.686 1.638 -2.244 78 2HD ARG 15 2HD ARG 15 9.575 0.284 -1.546 79 HE ARG 15 HE ARG 15 9.930 0.469 -4.424 80 1HH1 ARG 15 1HH1 ARG 15 11.741 -0.022 -1.826 81 2HH1 ARG 15 2HH1 ARG 15 12.949 1.181 -2.130 82 1HH2 ARG 15 1HH2 ARG 15 11.125 2.759 -4.624 83 2HH2 ARG 15 2HH2 ARG 15 12.600 2.757 -3.715 84 H GLU 16 H GLU 16 7.768 -2.001 0.385 85 HA GLU 16 HA GLU 16 6.876 -1.286 2.447 86 1HB GLU 16 1HB GLU 16 7.293 0.856 1.212 87 2HB GLU 16 2HB GLU 16 5.620 0.815 0.657 88 1HG GLU 16 1HG GLU 16 4.770 1.309 2.739 89 2HG GLU 16 2HG GLU 16 6.096 0.508 3.585 90 H THR 17 H THR 17 5.330 -3.326 1.180 91 HA THR 17 HA THR 17 2.596 -2.902 0.863 92 HB THR 17 HB THR 17 2.335 -5.233 1.866 93 HG1 THR 17 HG1 THR 17 3.925 -5.594 3.213 94 1HG2 THR 17 1HG2 THR 17 3.168 -4.471 -0.567 95 2HG2 THR 17 2HG2 THR 17 4.612 -5.341 -0.051 96 3HG2 THR 17 3HG2 THR 17 3.057 -6.170 -0.106 97 H GLY 18 H GLY 18 0.795 -2.971 2.342 98 1HA GLY 18 1HA GLY 18 0.410 -3.281 4.936 99 2HA GLY 18 2HA GLY 18 1.482 -1.881 5.023 100 H ILE 19 H ILE 19 -0.752 -1.202 6.096 101 HA ILE 19 HA ILE 19 -2.695 -0.338 4.102 102 HB ILE 19 HB ILE 19 -2.779 0.156 7.073 103 1HG1 ILE 19 1HG1 ILE 19 -3.517 -2.249 5.402 104 2HG1 ILE 19 2HG1 ILE 19 -2.588 -2.198 6.897 105 1HG2 ILE 19 1HG2 ILE 19 -4.821 0.143 4.832 106 2HG2 ILE 19 2HG2 ILE 19 -5.268 0.149 6.538 107 3HG2 ILE 19 3HG2 ILE 19 -4.363 1.501 5.860 108 1HD1 ILE 19 1HD1 ILE 19 -5.149 -1.072 7.446 109 2HD1 ILE 19 2HD1 ILE 19 -5.398 -2.579 6.568 110 3HD1 ILE 19 3HD1 ILE 19 -4.470 -2.576 8.063 111 H TYR 20 H TYR 20 -2.485 1.617 3.130 112 HA TYR 20 HA TYR 20 -0.701 3.654 4.299 113 1HB TYR 20 1HB TYR 20 -2.412 3.756 1.825 114 2HB TYR 20 2HB TYR 20 -1.164 4.915 2.243 115 HD1 TYR 20 HD1 TYR 20 1.083 3.486 3.148 116 HD2 TYR 20 HD2 TYR 20 -1.687 2.330 0.075 117 HE1 TYR 20 HE1 TYR 20 2.820 2.042 2.127 118 HE2 TYR 20 HE2 TYR 20 0.057 0.888 -0.948 119 HH TYR 20 HH TYR 20 3.371 0.857 0.287 120 H ASN 21 H ASN 21 -1.772 6.012 3.850 121 HA ASN 21 HA ASN 21 -4.566 6.201 4.619 122 1HB ASN 21 1HB ASN 21 -3.650 5.562 6.704 123 2HB ASN 21 2HB ASN 21 -2.273 6.632 6.480 124 1HD2 ASN 21 1HD2 ASN 21 -5.678 8.845 6.866 125 2HD2 ASN 21 2HD2 ASN 21 -5.492 7.741 5.591 126 H THR 22 H THR 22 -3.750 7.335 2.431 127 HA THR 22 HA THR 22 -3.586 10.172 3.021 128 HB THR 22 HB THR 22 -1.417 9.151 1.243 129 HG1 THR 22 HG1 THR 22 -1.023 9.440 4.016 130 1HG2 THR 22 1HG2 THR 22 -2.165 11.603 2.624 131 2HG2 THR 22 2HG2 THR 22 -0.476 11.165 2.879 132 3HG2 THR 22 3HG2 THR 22 -1.098 11.369 1.237 133 H TRP 23 H TRP 23 -3.433 11.416 0.882 134 HA TRP 23 HA TRP 23 -5.321 10.242 -1.037 135 1HB TRP 23 1HB TRP 23 -5.752 12.497 -0.954 136 2HB TRP 23 2HB TRP 23 -4.102 12.896 -0.497 137 HD1 TRP 23 HD1 TRP 23 -2.799 14.120 -2.301 138 HE1 TRP 23 HE1 TRP 23 -2.904 14.282 -4.874 139 HE3 TRP 23 HE3 TRP 23 -6.582 10.845 -3.219 140 HZ2 TRP 23 HZ2 TRP 23 -4.412 13.163 -7.040 141 HZ3 TRP 23 HZ3 TRP 23 -7.348 10.409 -5.538 142 HH2 TRP 23 HH2 TRP 23 -6.263 11.561 -7.449 143 H ASN 24 H ASN 24 -2.022 11.503 -1.044 144 HA ASN 24 HA ASN 24 -1.328 10.544 -3.617 145 1HB ASN 24 1HB ASN 24 -0.143 12.166 -1.739 146 2HB ASN 24 2HB ASN 24 0.893 10.741 -1.741 147 1HD2 ASN 24 1HD2 ASN 24 2.376 12.663 -4.434 148 2HD2 ASN 24 2HD2 ASN 24 2.418 12.516 -2.744 149 H GLU 25 H GLU 25 -0.345 9.320 -0.394 150 HA GLU 25 HA GLU 25 0.952 6.989 -1.135 151 1HB GLU 25 1HB GLU 25 -1.066 7.367 1.090 152 2HB GLU 25 2HB GLU 25 0.016 5.981 0.967 153 1HG GLU 25 1HG GLU 25 0.790 8.888 1.313 154 2HG GLU 25 2HG GLU 25 1.029 7.576 2.469 155 H CYS 26 H CYS 26 -2.498 7.687 -1.197 156 HA CYS 26 HA CYS 26 -3.366 5.010 -1.743 157 1HB CYS 26 1HB CYS 26 -5.005 6.546 -0.984 158 2HB CYS 26 2HB CYS 26 -4.570 7.727 -2.218 159 HG CYS 26 HG CYS 26 -6.705 5.782 -2.624 160 H LYS 27 H LYS 27 -3.933 7.492 -4.084 161 HA LYS 27 HA LYS 27 -3.710 5.904 -6.351 162 1HB LYS 27 1HB LYS 27 -3.680 8.713 -5.602 163 2HB LYS 27 2HB LYS 27 -2.869 8.402 -7.147 164 1HG LYS 27 1HG LYS 27 -4.956 8.411 -8.059 165 2HG LYS 27 2HG LYS 27 -5.150 6.828 -7.308 166 1HD LYS 27 1HD LYS 27 -5.620 8.815 -5.309 167 2HD LYS 27 2HD LYS 27 -6.571 9.230 -6.736 168 1HE LYS 27 1HE LYS 27 -7.596 7.042 -6.776 169 2HE LYS 27 2HE LYS 27 -6.528 6.469 -5.496 170 1HZ LYS 27 1HZ LYS 27 -8.471 8.692 -5.198 171 2HZ LYS 27 2HZ LYS 27 -8.752 7.094 -4.694 172 3HZ LYS 27 3HZ LYS 27 -7.517 8.012 -3.971 173 H ASN 28 H ASN 28 -1.161 7.845 -4.768 174 HA ASN 28 HA ASN 28 0.931 7.404 -6.594 175 1HB ASN 28 1HB ASN 28 1.054 8.875 -4.560 176 2HB ASN 28 2HB ASN 28 1.206 7.422 -3.574 177 1HD2 ASN 28 1HD2 ASN 28 4.472 8.895 -5.376 178 2HD2 ASN 28 2HD2 ASN 28 3.006 9.744 -5.275 179 H GLN 29 H GLN 29 -0.063 5.358 -3.829 180 HA GLN 29 HA GLN 29 1.915 3.323 -4.433 181 1HB GLN 29 1HB GLN 29 -0.598 3.237 -2.739 182 2HB GLN 29 2HB GLN 29 0.604 1.947 -2.809 183 1HG GLN 29 1HG GLN 29 1.269 4.806 -2.061 184 2HG GLN 29 2HG GLN 29 0.903 3.550 -0.875 185 1HE2 GLN 29 1HE2 GLN 29 3.899 1.637 -2.054 186 2HE2 GLN 29 2HE2 GLN 29 2.231 1.329 -2.002 187 H VAL 30 H VAL 30 -1.282 4.041 -5.590 188 HA VAL 30 HA VAL 30 -1.072 1.779 -7.475 189 HB VAL 30 HB VAL 30 -3.416 1.040 -6.876 190 1HG1 VAL 30 1HG1 VAL 30 -1.114 0.081 -6.038 191 2HG1 VAL 30 2HG1 VAL 30 -1.618 0.753 -4.487 192 3HG1 VAL 30 3HG1 VAL 30 -2.609 -0.469 -5.283 193 1HG2 VAL 30 1HG2 VAL 30 -3.227 3.345 -5.226 194 2HG2 VAL 30 2HG2 VAL 30 -4.574 2.210 -5.331 195 3HG2 VAL 30 3HG2 VAL 30 -3.292 1.953 -4.145 196 H ASP 31 H ASP 31 -0.929 3.590 -8.976 197 HA ASP 31 HA ASP 31 -3.532 4.978 -9.410 198 1HB ASP 31 1HB ASP 31 -1.100 6.151 -9.080 199 2HB ASP 31 2HB ASP 31 -1.137 5.956 -10.832 200 H GLY 32 H GLY 32 -0.729 3.849 -11.222 201 1HA GLY 32 1HA GLY 32 -2.581 2.961 -13.395 202 2HA GLY 32 2HA GLY 32 -0.899 3.433 -13.672 203 H TYR 33 H TYR 33 -2.961 0.949 -12.285 204 HA TYR 33 HA TYR 33 -0.672 -0.904 -12.290 205 1HB TYR 33 1HB TYR 33 -2.146 -2.033 -10.430 206 2HB TYR 33 2HB TYR 33 -1.155 -0.632 -10.023 207 HD1 TYR 33 HD1 TYR 33 -2.207 1.684 -10.146 208 HD2 TYR 33 HD2 TYR 33 -4.510 -1.942 -10.178 209 HE1 TYR 33 HE1 TYR 33 -4.228 2.968 -9.525 210 HE2 TYR 33 HE2 TYR 33 -6.537 -0.657 -9.545 211 HH TYR 33 HH TYR 33 -6.407 2.544 -8.423 212 H GLY 34 H GLY 34 -1.025 -2.892 -13.290 213 1HA GLY 34 1HA GLY 34 -3.324 -3.164 -15.026 214 2HA GLY 34 2HA GLY 34 -2.097 -4.403 -14.743 215 H GLY 35 H GLY 35 -2.246 -5.471 -12.519 216 1HA GLY 35 1HA GLY 35 -5.114 -5.757 -11.705 217 2HA GLY 35 2HA GLY 35 -4.033 -7.148 -11.836 218 H ALA 36 H ALA 36 -3.900 -3.910 -10.318 219 HA ALA 36 HA ALA 36 -2.087 -4.563 -8.270 220 1HB ALA 36 1HB ALA 36 -4.333 -2.552 -8.404 221 2HB ALA 36 2HB ALA 36 -3.287 -2.681 -6.990 222 3HB ALA 36 3HB ALA 36 -2.600 -2.266 -8.561 223 H ILE 37 H ILE 37 -2.379 -5.145 -6.077 224 HA ILE 37 HA ILE 37 -4.741 -6.873 -5.584 225 HB ILE 37 HB ILE 37 -2.574 -7.879 -5.125 226 1HG1 ILE 37 1HG1 ILE 37 -4.560 -8.146 -3.471 227 2HG1 ILE 37 2HG1 ILE 37 -2.963 -8.663 -2.937 228 1HG2 ILE 37 1HG2 ILE 37 -2.053 -5.222 -3.997 229 2HG2 ILE 37 2HG2 ILE 37 -1.435 -6.553 -3.017 230 3HG2 ILE 37 3HG2 ILE 37 -0.935 -6.390 -4.700 231 1HD1 ILE 37 1HD1 ILE 37 -3.253 -5.873 -2.322 232 2HD1 ILE 37 2HD1 ILE 37 -4.675 -6.726 -1.730 233 3HD1 ILE 37 3HD1 ILE 37 -3.069 -7.228 -1.207 234 H TYR 38 H TYR 38 -3.254 -3.947 -4.636 235 HA TYR 38 HA TYR 38 -3.909 -3.228 -2.182 236 1HB TYR 38 1HB TYR 38 -4.199 -1.000 -2.868 237 2HB TYR 38 2HB TYR 38 -3.176 -1.735 -4.093 238 HD1 TYR 38 HD1 TYR 38 -5.479 -3.364 -5.429 239 HD2 TYR 38 HD2 TYR 38 -5.087 0.752 -4.263 240 HE1 TYR 38 HE1 TYR 38 -7.124 -2.716 -7.161 241 HE2 TYR 38 HE2 TYR 38 -6.737 1.400 -5.992 242 HH TYR 38 HH TYR 38 -8.407 -1.054 -7.944 243 H LYS 39 H LYS 39 -5.584 -2.649 -0.887 244 HA LYS 39 HA LYS 39 -8.359 -3.113 -1.895 245 1HB LYS 39 1HB LYS 39 -6.927 -4.339 0.411 246 2HB LYS 39 2HB LYS 39 -8.583 -3.813 0.714 247 1HG LYS 39 1HG LYS 39 -8.842 -6.029 -0.047 248 2HG LYS 39 2HG LYS 39 -9.157 -5.059 -1.487 249 1HD LYS 39 1HD LYS 39 -7.581 -6.365 -2.469 250 2HD LYS 39 2HD LYS 39 -6.431 -5.354 -1.592 251 1HE LYS 39 1HE LYS 39 -7.660 -7.748 -0.249 252 2HE LYS 39 2HE LYS 39 -6.277 -7.949 -1.325 253 1HZ LYS 39 1HZ LYS 39 -5.272 -6.048 0.056 254 2HZ LYS 39 2HZ LYS 39 -6.448 -6.461 1.211 255 3HZ LYS 39 3HZ LYS 39 -5.301 -7.610 0.724 256 H LYS 40 H LYS 40 -8.677 -0.844 -2.049 257 HA LYS 40 HA LYS 40 -7.895 1.161 -0.314 258 1HB LYS 40 1HB LYS 40 -9.557 1.062 -2.459 259 2HB LYS 40 2HB LYS 40 -10.725 1.347 -1.168 260 1HG LYS 40 1HG LYS 40 -8.383 3.004 -0.798 261 2HG LYS 40 2HG LYS 40 -9.074 3.260 -2.403 262 1HD LYS 40 1HD LYS 40 -11.327 3.168 -0.829 263 2HD LYS 40 2HD LYS 40 -10.168 3.951 0.246 264 1HE LYS 40 1HE LYS 40 -10.917 4.824 -2.557 265 2HE LYS 40 2HE LYS 40 -11.281 5.670 -1.053 266 1HZ LYS 40 1HZ LYS 40 -8.829 5.781 -0.683 267 2HZ LYS 40 2HZ LYS 40 -8.617 5.211 -2.271 268 3HZ LYS 40 3HZ LYS 40 -9.389 6.699 -1.994 269 H PHE 41 H PHE 41 -8.786 2.135 1.560 270 HA PHE 41 HA PHE 41 -11.056 0.879 2.923 271 1HB PHE 41 1HB PHE 41 -8.291 0.190 3.578 272 2HB PHE 41 2HB PHE 41 -9.240 0.754 4.959 273 HD1 PHE 41 HD1 PHE 41 -11.678 -0.207 5.130 274 HD2 PHE 41 HD2 PHE 41 -8.494 -2.054 2.918 275 HE1 PHE 41 HE1 PHE 41 -12.884 -2.365 5.204 276 HE2 PHE 41 HE2 PHE 41 -9.700 -4.223 2.999 277 HZ PHE 41 HZ PHE 41 -11.895 -4.379 4.143 278 H ASN 42 H ASN 42 -11.554 2.003 4.957 279 HA ASN 42 HA ASN 42 -10.319 4.711 5.145 280 1HB ASN 42 1HB ASN 42 -12.378 5.000 3.929 281 2HB ASN 42 2HB ASN 42 -13.243 3.956 5.056 282 1HD2 ASN 42 1HD2 ASN 42 -14.226 7.001 6.620 283 2HD2 ASN 42 2HD2 ASN 42 -14.736 5.698 5.660 284 H SER 43 H SER 43 -9.490 2.719 6.776 285 HA SER 43 HA SER 43 -9.838 3.597 9.381 286 1HB SER 43 1HB SER 43 -12.149 2.071 8.403 287 2HB SER 43 2HB SER 43 -11.464 1.415 9.889 288 HG SER 43 HG SER 43 -12.111 4.150 9.461 289 H TYR 44 H TYR 44 -7.747 2.840 9.629 290 HA TYR 44 HA TYR 44 -6.502 0.551 8.771 291 1HB TYR 44 1HB TYR 44 -5.901 2.465 10.639 292 2HB TYR 44 2HB TYR 44 -6.061 1.030 11.652 293 HD1 TYR 44 HD1 TYR 44 -5.209 -1.042 9.609 294 HD2 TYR 44 HD2 TYR 44 -3.533 2.763 10.683 295 HE1 TYR 44 HE1 TYR 44 -2.973 -1.818 8.868 296 HE2 TYR 44 HE2 TYR 44 -1.297 1.988 9.942 297 HH TYR 44 HH TYR 44 -0.256 -0.674 9.719 298 H GLU 45 H GLU 45 -9.023 0.737 11.190 299 HA GLU 45 HA GLU 45 -8.656 -1.876 12.322 300 1HB GLU 45 1HB GLU 45 -10.946 0.069 12.196 301 2HB GLU 45 2HB GLU 45 -11.206 -1.561 12.822 302 1HG GLU 45 1HG GLU 45 -9.034 0.299 13.821 303 2HG GLU 45 2HG GLU 45 -10.608 0.123 14.596 304 H GLN 46 H GLN 46 -10.610 -0.702 9.580 305 HA GLN 46 HA GLN 46 -11.712 -3.309 9.059 306 1HB GLN 46 1HB GLN 46 -11.623 -0.834 7.328 307 2HB GLN 46 2HB GLN 46 -12.619 -2.260 7.025 308 1HG GLN 46 1HG GLN 46 -13.022 -1.351 9.732 309 2HG GLN 46 2HG GLN 46 -13.286 -0.015 8.610 310 1HE2 GLN 46 1HE2 GLN 46 -16.450 -2.062 8.941 311 2HE2 GLN 46 2HE2 GLN 46 -15.440 -1.307 10.077 312 H ALA 47 H ALA 47 -9.468 -1.201 7.367 313 HA ALA 47 HA ALA 47 -8.575 -2.955 5.400 314 1HB ALA 47 1HB ALA 47 -6.934 -0.955 6.984 315 2HB ALA 47 2HB ALA 47 -6.474 -1.637 5.421 316 3HB ALA 47 3HB ALA 47 -7.881 -0.586 5.547 317 H LYS 48 H LYS 48 -7.230 -2.452 8.640 318 HA LYS 48 HA LYS 48 -5.268 -4.492 8.610 319 1HB LYS 48 1HB LYS 48 -5.560 -2.782 10.429 320 2HB LYS 48 2HB LYS 48 -6.950 -3.705 11.002 321 1HG LYS 48 1HG LYS 48 -5.447 -4.846 12.256 322 2HG LYS 48 2HG LYS 48 -5.009 -5.648 10.747 323 1HD LYS 48 1HD LYS 48 -2.943 -4.780 10.949 324 2HD LYS 48 2HD LYS 48 -3.645 -3.176 10.730 325 1HE LYS 48 1HE LYS 48 -4.194 -3.266 13.245 326 2HE LYS 48 2HE LYS 48 -3.078 -4.631 13.315 327 1HZ LYS 48 1HZ LYS 48 -1.597 -2.927 11.964 328 2HZ LYS 48 2HZ LYS 48 -2.537 -1.806 12.826 329 3HZ LYS 48 3HZ LYS 48 -1.613 -2.962 13.660 330 H SER 49 H SER 49 -8.570 -4.709 9.990 331 HA SER 49 HA SER 49 -8.662 -7.405 10.585 332 1HB SER 49 1HB SER 49 -10.570 -5.355 10.171 333 2HB SER 49 2HB SER 49 -11.092 -6.721 9.190 334 HG SER 49 HG SER 49 -11.899 -7.096 11.194 335 H PHE 50 H PHE 50 -8.754 -5.894 7.405 336 HA PHE 50 HA PHE 50 -9.412 -8.355 5.995 337 1HB PHE 50 1HB PHE 50 -9.515 -5.742 5.281 338 2HB PHE 50 2HB PHE 50 -7.962 -6.188 4.571 339 HD1 PHE 50 HD1 PHE 50 -11.596 -6.892 4.584 340 HD2 PHE 50 HD2 PHE 50 -7.815 -7.759 2.736 341 HE1 PHE 50 HE1 PHE 50 -12.767 -8.027 2.715 342 HE2 PHE 50 HE2 PHE 50 -8.988 -8.893 0.868 343 HZ PHE 50 HZ PHE 50 -11.463 -9.028 0.858 344 H LEU 51 H LEU 51 -6.438 -6.498 6.646 345 HA LEU 51 HA LEU 51 -4.643 -7.978 5.158 346 1HB LEU 51 1HB LEU 51 -4.097 -6.972 7.950 347 2HB LEU 51 2HB LEU 51 -2.955 -7.162 6.638 348 HG LEU 51 HG LEU 51 -5.132 -5.110 6.924 349 1HD1 LEU 51 1HD1 LEU 51 -2.212 -5.207 7.049 350 2HD1 LEU 51 2HD1 LEU 51 -2.804 -3.966 5.947 351 3HD1 LEU 51 3HD1 LEU 51 -3.316 -3.965 7.636 352 1HD2 LEU 51 1HD2 LEU 51 -4.129 -6.351 4.477 353 2HD2 LEU 51 2HD2 LEU 51 -5.492 -5.253 4.703 354 3HD2 LEU 51 3HD2 LEU 51 -3.861 -4.606 4.512 355 H GLY 52 H GLY 52 -4.803 -8.484 8.689 356 1HA GLY 52 1HA GLY 52 -4.940 -11.412 8.190 357 2HA GLY 52 2HA GLY 52 -3.647 -10.769 9.198
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