NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
3341 | 1dkc | 4615 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 13.244 -4.759 -4.824 2 1HB ALA 1 1HB ALA 1 11.606 -2.728 -3.506 3 2HB ALA 1 2HB ALA 1 13.267 -2.611 -4.088 4 3HB ALA 1 3HB ALA 1 11.924 -2.312 -5.191 5 H GLY 2 H GLY 2 12.728 -4.670 -2.212 6 1HA GLY 2 1HA GLY 2 11.074 -6.981 -1.692 7 2HA GLY 2 2HA GLY 2 11.822 -5.963 -0.463 8 H CYS 3 H CYS 3 9.246 -6.947 -0.076 9 HA CYS 3 HA CYS 3 7.713 -4.427 0.146 10 1HB CYS 3 1HB CYS 3 5.789 -5.334 -1.084 11 2HB CYS 3 2HB CYS 3 7.213 -5.341 -2.119 12 H ILE 4 H ILE 4 5.501 -4.989 1.303 13 HA ILE 4 HA ILE 4 5.938 -7.283 3.197 14 HB ILE 4 HB ILE 4 5.015 -4.445 3.769 15 1HG1 ILE 4 1HG1 ILE 4 7.320 -5.867 5.079 16 2HG1 ILE 4 2HG1 ILE 4 7.546 -5.134 3.491 17 1HG2 ILE 4 1HG2 ILE 4 5.138 -5.358 6.191 18 2HG2 ILE 4 2HG2 ILE 4 3.727 -5.793 5.230 19 3HG2 ILE 4 3HG2 ILE 4 5.035 -6.955 5.451 20 1HD1 ILE 4 1HD1 ILE 4 7.490 -3.846 6.057 21 2HD1 ILE 4 2HD1 ILE 4 7.793 -3.127 4.475 22 3HD1 ILE 4 3HD1 ILE 4 6.144 -3.244 5.089 23 H LYS 5 H LYS 5 4.223 -8.653 3.176 24 HA LYS 5 HA LYS 5 1.781 -8.051 1.744 25 1HB LYS 5 1HB LYS 5 3.256 -10.277 2.351 26 2HB LYS 5 2HB LYS 5 1.930 -10.422 3.505 27 1HG LYS 5 2HG LYS 5 0.413 -10.890 1.887 28 2HG LYS 5 1HG LYS 5 1.062 -9.666 0.796 29 1HD LYS 5 1HD LYS 5 2.667 -12.153 1.302 30 2HD LYS 5 2HD LYS 5 1.291 -12.235 0.203 31 1HE LYS 5 1HE LYS 5 3.202 -9.958 -0.165 32 2HE LYS 5 2HE LYS 5 3.721 -11.572 -0.694 33 1HZ LYS 5 1HZ LYS 5 1.920 -11.784 -2.121 34 2HZ LYS 5 2HZ LYS 5 2.330 -10.137 -2.316 35 3HZ LYS 5 3HZ LYS 5 0.987 -10.583 -1.327 36 H ASN 6 H ASN 6 2.490 -8.856 5.167 37 HA ASN 6 HA ASN 6 -0.221 -7.982 5.974 38 1HB ASN 6 1HB ASN 6 1.794 -9.822 6.857 39 2HB ASN 6 2HB ASN 6 1.463 -8.699 8.174 40 1HD2 ASN 6 1HD2 ASN 6 0.412 -10.613 9.283 41 2HD2 ASN 6 2HD2 ASN 6 -1.172 -11.038 8.851 42 H GLY 7 H GLY 7 0.761 -5.702 5.107 43 1HA GLY 7 1HA GLY 7 0.624 -3.608 6.566 44 2HA GLY 7 2HA GLY 7 1.951 -4.313 7.484 45 H GLY 8 H GLY 8 1.232 -3.597 4.031 46 1HA GLY 8 1HA GLY 8 4.095 -2.809 3.707 47 2HA GLY 8 2HA GLY 8 2.982 -3.156 2.382 48 H ARG 9 H ARG 9 4.574 -0.735 2.630 49 HA ARG 9 HA ARG 9 2.470 1.322 3.220 50 1HB ARG 9 2HB ARG 9 4.428 1.652 4.526 51 2HB ARG 9 1HB ARG 9 5.491 1.272 3.174 52 1HG ARG 9 2HG ARG 9 5.616 3.627 3.361 53 2HG ARG 9 1HG ARG 9 4.488 3.365 2.033 54 1HD ARG 9 2HD ARG 9 2.608 3.920 3.357 55 2HD ARG 9 1HD ARG 9 3.498 3.673 4.876 56 HE ARG 9 HE ARG 9 4.643 5.770 4.515 57 1HH1 ARG 9 2HH1 ARG 9 4.964 5.557 1.555 58 2HH1 ARG 9 1HH1 ARG 9 3.896 6.806 0.983 59 1HH2 ARG 9 1HH2 ARG 9 2.249 7.111 3.987 60 2HH2 ARG 9 2HH2 ARG 9 2.379 7.684 2.356 61 H CYS 10 H CYS 10 1.630 2.497 1.511 62 HA CYS 10 HA CYS 10 3.213 2.665 -1.020 63 1HB CYS 10 1HB CYS 10 0.979 2.149 -2.216 64 2HB CYS 10 2HB CYS 10 1.839 0.802 -1.486 65 H ASN 11 H ASN 11 2.013 4.197 -2.600 66 HA ASN 11 HA ASN 11 0.441 6.314 -1.214 67 1HB ASN 11 1HB ASN 11 3.259 6.385 -1.753 68 2HB ASN 11 2HB ASN 11 2.471 7.579 -2.784 69 1HD2 ASN 11 1HD2 ASN 11 0.931 9.128 -1.608 70 2HD2 ASN 11 2HD2 ASN 11 1.297 9.538 0.002 71 H ALA 12 H ALA 12 -1.334 5.990 -2.585 72 HA ALA 12 HA ALA 12 -1.082 5.707 -5.483 73 1HB ALA 12 1HB ALA 12 -2.910 4.678 -4.292 74 2HB ALA 12 2HB ALA 12 -3.362 6.215 -3.552 75 3HB ALA 12 3HB ALA 12 -3.604 5.964 -5.282 76 H SER 13 H SER 13 -0.970 8.398 -3.371 77 HA SER 13 HA SER 13 -2.062 10.331 -5.334 78 1HB SER 13 1HB SER 13 -1.421 11.888 -3.367 79 2HB SER 13 2HB SER 13 -2.700 10.710 -3.081 80 HG SER 13 HG SER 13 -0.760 10.961 -1.526 81 H ALA 14 H ALA 14 1.023 9.003 -4.443 82 HA ALA 14 HA ALA 14 2.408 11.253 -5.872 83 1HB ALA 14 1HB ALA 14 3.518 9.431 -3.718 84 2HB ALA 14 2HB ALA 14 4.236 10.920 -4.331 85 3HB ALA 14 3HB ALA 14 2.756 10.984 -3.372 86 H GLY 15 H GLY 15 1.337 8.880 -7.210 87 1HA GLY 15 1HA GLY 15 2.193 7.591 -9.026 88 2HA GLY 15 2HA GLY 15 3.828 7.945 -8.470 89 HA PRO 16 HA PRO 16 2.117 4.300 -5.788 90 1HB PRO 16 1HB PRO 16 0.069 2.889 -6.948 91 2HB PRO 16 2HB PRO 16 -0.185 4.208 -5.786 92 1HG PRO 16 1HG PRO 16 -0.307 4.261 -8.769 93 2HG PRO 16 2HG PRO 16 -1.384 5.026 -7.586 94 1HD PRO 16 1HD PRO 16 0.521 6.415 -8.881 95 2HD PRO 16 2HD PRO 16 0.064 6.781 -7.201 96 HA PRO 17 HA PRO 17 4.542 2.039 -8.868 97 1HB PRO 17 1HB PRO 17 6.221 0.828 -7.068 98 2HB PRO 17 2HB PRO 17 6.449 2.488 -7.647 99 1HG PRO 17 1HG PRO 17 5.388 1.526 -5.057 100 2HG PRO 17 2HG PRO 17 6.305 2.989 -5.433 101 1HD PRO 17 1HD PRO 17 3.565 2.876 -5.003 102 2HD PRO 17 2HD PRO 17 4.432 4.201 -5.809 103 H TYR 18 H TYR 18 4.462 0.070 -5.884 104 HA TYR 18 HA TYR 18 2.299 -1.646 -6.766 105 1HB TYR 18 1HB TYR 18 3.618 -3.542 -7.493 106 2HB TYR 18 2HB TYR 18 4.183 -2.134 -8.387 107 HD1 TYR 18 HD1 TYR 18 6.328 -1.040 -7.789 108 HD2 TYR 18 HD2 TYR 18 5.003 -4.638 -5.853 109 HE1 TYR 18 HE1 TYR 18 8.617 -1.405 -6.897 110 HE2 TYR 18 HE2 TYR 18 7.293 -5.003 -4.966 111 HH TYR 18 HH TYR 18 9.362 -3.173 -4.442 112 H CYS 19 H CYS 19 1.597 -2.893 -5.020 113 HA CYS 19 HA CYS 19 3.133 -2.629 -2.489 114 1HB CYS 19 1HB CYS 19 0.344 -3.361 -3.311 115 2HB CYS 19 2HB CYS 19 0.912 -3.842 -1.720 116 H CYS 20 H CYS 20 2.791 -4.825 -1.074 117 HA CYS 20 HA CYS 20 4.417 -6.853 -2.389 118 1HB CYS 20 1HB CYS 20 4.101 -6.008 0.110 119 2HB CYS 20 2HB CYS 20 2.930 -7.315 0.153 120 H SER 21 H SER 21 0.972 -6.574 -1.604 121 HA SER 21 HA SER 21 0.540 -9.202 -3.004 122 1HB SER 21 1HB SER 21 -0.259 -8.193 -0.395 123 2HB SER 21 2HB SER 21 -1.646 -8.739 -1.338 124 HG SER 21 HG SER 21 -0.997 -10.663 -0.751 125 H SER 22 H SER 22 0.484 -6.386 -4.073 126 HA SER 22 HA SER 22 -0.716 -5.293 -5.768 127 1HB SER 22 1HB SER 22 -1.252 -7.635 -6.419 128 2HB SER 22 2HB SER 22 -2.668 -7.577 -5.375 129 HG SER 22 HG SER 22 -2.117 -6.098 -7.731 130 H TYR 23 H TYR 23 -1.885 -5.656 -2.586 131 HA TYR 23 HA TYR 23 -4.223 -3.862 -3.170 132 1HB TYR 23 1HB TYR 23 -4.406 -6.044 -1.824 133 2HB TYR 23 2HB TYR 23 -3.518 -5.189 -0.568 134 HD1 TYR 23 HD1 TYR 23 -4.517 -3.484 0.769 135 HD2 TYR 23 HD2 TYR 23 -6.650 -5.184 -2.546 136 HE1 TYR 23 HE1 TYR 23 -6.599 -2.389 1.547 137 HE2 TYR 23 HE2 TYR 23 -8.733 -4.081 -1.765 138 HH TYR 23 HH TYR 23 -9.427 -3.180 0.933 139 H CYS 24 H CYS 24 -4.429 -1.911 -2.085 140 HA CYS 24 HA CYS 24 -2.330 -0.954 -0.235 141 1HB CYS 24 1HB CYS 24 -1.343 -0.475 -2.404 142 2HB CYS 24 2HB CYS 24 -2.855 0.216 -2.991 143 H PHE 25 H PHE 25 -3.562 -0.059 1.368 144 HA PHE 25 HA PHE 25 -6.207 1.170 0.708 145 1HB PHE 25 1HB PHE 25 -5.455 -0.678 2.510 146 2HB PHE 25 2HB PHE 25 -5.160 0.758 3.466 147 HD1 PHE 25 HD1 PHE 25 -6.907 1.823 4.591 148 HD2 PHE 25 HD2 PHE 25 -7.798 -0.822 1.327 149 HE1 PHE 25 HE1 PHE 25 -9.329 2.041 5.075 150 HE2 PHE 25 HE2 PHE 25 -10.219 -0.604 1.810 151 HZ PHE 25 HZ PHE 25 -10.985 0.828 3.685 152 H GLN 26 H GLN 26 -5.946 3.378 0.302 153 HA GLN 26 HA GLN 26 -4.257 4.932 2.239 154 1HB GLN 26 1HB GLN 26 -3.120 4.849 0.144 155 2HB GLN 26 2HB GLN 26 -4.608 5.138 -0.748 156 1HG GLN 26 1HG GLN 26 -4.707 7.398 -0.095 157 2HG GLN 26 2HG GLN 26 -3.627 7.139 1.271 158 1HE2 GLN 26 1HE2 GLN 26 -3.063 9.221 -0.530 159 2HE2 GLN 26 2HE2 GLN 26 -1.676 8.835 -1.428 160 H ILE 27 H ILE 27 -5.107 6.960 2.892 161 HA ILE 27 HA ILE 27 -7.973 7.434 2.122 162 HB ILE 27 HB ILE 27 -7.498 8.643 4.607 163 1HG1 ILE 27 1HG1 ILE 27 -5.445 7.048 4.662 164 2HG1 ILE 27 2HG1 ILE 27 -6.527 7.050 6.048 165 1HG2 ILE 27 1HG2 ILE 27 -9.320 6.902 3.387 166 2HG2 ILE 27 2HG2 ILE 27 -8.784 6.056 4.838 167 3HG2 ILE 27 3HG2 ILE 27 -9.483 7.668 4.965 168 1HD1 ILE 27 1HD1 ILE 27 -7.689 5.060 5.154 169 2HD1 ILE 27 2HD1 ILE 27 -6.604 5.050 3.765 170 3HD1 ILE 27 3HD1 ILE 27 -5.968 4.745 5.381 171 H ALA 28 H ALA 28 -8.667 9.741 2.379 172 HA ALA 28 HA ALA 28 -6.643 11.538 1.199 173 1HB ALA 28 1HB ALA 28 -8.609 11.915 0.100 174 2HB ALA 28 2HB ALA 28 -9.580 11.303 1.439 175 3HB ALA 28 3HB ALA 28 -8.980 12.959 1.473 176 H GLY 29 H GLY 29 -5.252 11.971 2.998 177 1HA GLY 29 1HA GLY 29 -6.165 14.122 4.757 178 2HA GLY 29 2HA GLY 29 -5.808 12.628 5.625 179 H GLN 30 H GLN 30 -3.592 11.644 5.027 180 HA GLN 30 HA GLN 30 -1.569 13.854 4.899 181 1HB GLN 30 1HB GLN 30 -1.883 11.258 6.346 182 2HB GLN 30 2HB GLN 30 -0.245 11.792 5.967 183 1HG GLN 30 1HG GLN 30 -0.361 13.086 7.821 184 2HG GLN 30 2HG GLN 30 -1.492 14.099 6.927 185 1HE2 GLN 30 1HE2 GLN 30 -1.808 13.938 9.708 186 2HE2 GLN 30 2HE2 GLN 30 -3.194 13.030 10.074 187 H SER 31 H SER 31 -2.881 11.621 2.849 188 HA SER 31 HA SER 31 -2.152 10.723 0.790 189 1HB SER 31 1HB SER 31 -0.687 13.000 1.181 190 2HB SER 31 2HB SER 31 0.596 11.796 1.086 191 HG SER 31 HG SER 31 -0.413 12.855 -0.940 192 H TYR 32 H TYR 32 -2.190 8.927 2.727 193 HA TYR 32 HA TYR 32 0.368 7.420 2.391 194 1HB TYR 32 1HB TYR 32 0.390 6.906 4.760 195 2HB TYR 32 2HB TYR 32 0.266 8.652 4.573 196 HD1 TYR 32 HD1 TYR 32 -1.891 9.808 4.983 197 HD2 TYR 32 HD2 TYR 32 -1.413 5.601 5.688 198 HE1 TYR 32 HE1 TYR 32 -3.952 9.803 6.370 199 HE2 TYR 32 HE2 TYR 32 -3.476 5.598 7.068 200 HH TYR 32 HH TYR 32 -4.753 8.003 8.454 201 H GLY 33 H GLY 33 0.089 5.267 1.942 202 1HA GLY 33 1HA GLY 33 -2.642 4.113 2.338 203 2HA GLY 33 2HA GLY 33 -1.771 3.882 0.823 204 H VAL 34 H VAL 34 -2.692 1.825 2.716 205 HA VAL 34 HA VAL 34 -0.003 0.686 3.491 206 HB VAL 34 HB VAL 34 -1.257 -0.537 5.257 207 1HG1 VAL 34 1HG1 VAL 34 -0.446 2.029 5.329 208 2HG1 VAL 34 2HG1 VAL 34 -2.167 2.275 5.627 209 3HG1 VAL 34 3HG1 VAL 34 -1.224 1.245 6.705 210 1HG2 VAL 34 1HG2 VAL 34 -3.467 -0.837 4.873 211 2HG2 VAL 34 2HG2 VAL 34 -3.673 0.813 5.458 212 3HG2 VAL 34 3HG2 VAL 34 -3.530 0.502 3.730 213 H CYS 35 H CYS 35 0.494 -1.330 2.627 214 HA CYS 35 HA CYS 35 -1.333 -2.353 0.558 215 1HB CYS 35 1HB CYS 35 1.343 -3.396 1.451 216 2HB CYS 35 2HB CYS 35 0.540 -3.709 -0.071 217 H LYS 36 H LYS 36 -2.056 -4.465 0.454 218 HA LYS 36 HA LYS 36 -1.804 -6.243 2.802 219 1HB LYS 36 1HB LYS 36 -4.010 -4.471 2.252 220 2HB LYS 36 2HB LYS 36 -4.561 -6.140 2.311 221 1HG LYS 36 2HG LYS 36 -2.692 -5.112 4.432 222 2HG LYS 36 1HG LYS 36 -4.409 -4.722 4.531 223 1HD LYS 36 1HD LYS 36 -4.771 -6.746 5.447 224 2HD LYS 36 2HD LYS 36 -4.279 -7.482 3.923 225 1HE LYS 36 1HE LYS 36 -1.847 -7.190 4.769 226 2HE LYS 36 2HE LYS 36 -2.581 -6.923 6.365 227 1HZ LYS 36 1HZ LYS 36 -2.210 -9.267 6.138 228 2HZ LYS 36 2HZ LYS 36 -2.935 -9.294 4.578 229 3HZ LYS 36 3HZ LYS 36 -3.890 -9.000 5.968 230 H ASN 37 H ASN 37 -3.573 -8.160 2.286 231 HA ASN 37 HA ASN 37 -2.632 -9.456 -0.148 232 1HB ASN 37 1HB ASN 37 -4.839 -10.249 1.780 233 2HB ASN 37 2HB ASN 37 -3.929 -11.325 0.724 234 1HD2 ASN 37 1HD2 ASN 37 -1.945 -12.149 1.532 235 2HD2 ASN 37 2HD2 ASN 37 -1.264 -11.671 3.010 236 H ARG 38 H ARG 38 -4.822 -10.792 -1.141 237 HA ARG 38 HA ARG 38 -6.938 -8.873 -1.803 238 1HB ARG 38 1HB ARG 38 -4.998 -8.478 -3.352 239 2HB ARG 38 2HB ARG 38 -5.146 -10.152 -3.889 240 1HG ARG 38 1HG ARG 38 -6.393 -8.990 -5.504 241 2HG ARG 38 2HG ARG 38 -7.635 -9.528 -4.375 242 1HD ARG 38 1HD ARG 38 -8.219 -7.386 -3.944 243 2HD ARG 38 2HD ARG 38 -6.546 -6.994 -3.489 244 HE ARG 38 HE ARG 38 -7.717 -6.680 -6.193 245 1HH1 ARG 38 1HH1 ARG 38 -6.135 -4.569 -4.812 246 2HH1 ARG 38 2HH1 ARG 38 -4.592 -4.680 -5.599 247 1HH2 ARG 38 1HH2 ARG 38 -5.273 -7.778 -6.977 248 2HH2 ARG 38 2HH2 ARG 38 -4.097 -6.496 -6.850 Start of MODEL 2 1 HA ALA 1 HA ALA 1 12.892 -4.811 -6.383 2 1HB ALA 1 1HB ALA 1 14.532 -2.820 -6.283 3 2HB ALA 1 2HB ALA 1 14.228 -2.808 -4.545 4 3HB ALA 1 3HB ALA 1 14.946 -4.229 -5.304 5 H GLY 2 H GLY 2 11.830 -6.290 -5.106 6 1HA GLY 2 1HA GLY 2 11.182 -7.320 -3.060 7 2HA GLY 2 2HA GLY 2 11.660 -5.854 -2.204 8 H CYS 3 H CYS 3 9.267 -7.051 -1.511 9 HA CYS 3 HA CYS 3 7.331 -4.916 -2.137 10 1HB CYS 3 1HB CYS 3 5.783 -6.287 -3.310 11 2HB CYS 3 2HB CYS 3 7.344 -6.729 -4.001 12 H ILE 4 H ILE 4 5.501 -4.974 -0.645 13 HA ILE 4 HA ILE 4 6.038 -6.611 1.790 14 HB ILE 4 HB ILE 4 4.065 -4.348 1.319 15 1HG1 ILE 4 1HG1 ILE 4 6.454 -3.680 0.895 16 2HG1 ILE 4 2HG1 ILE 4 5.748 -2.865 2.289 17 1HG2 ILE 4 1HG2 ILE 4 4.824 -6.046 3.611 18 2HG2 ILE 4 2HG2 ILE 4 4.817 -4.319 3.962 19 3HG2 ILE 4 3HG2 ILE 4 3.359 -5.101 3.350 20 1HD1 ILE 4 1HD1 ILE 4 8.139 -4.275 2.289 21 2HD1 ILE 4 2HD1 ILE 4 7.213 -3.826 3.721 22 3HD1 ILE 4 3HD1 ILE 4 6.998 -5.420 2.996 23 H LYS 5 H LYS 5 4.736 -8.340 2.285 24 HA LYS 5 HA LYS 5 2.707 -9.212 0.431 25 1HB LYS 5 1HB LYS 5 3.925 -10.181 3.004 26 2HB LYS 5 2HB LYS 5 2.547 -11.029 2.299 27 1HG LYS 5 2HG LYS 5 4.181 -12.162 1.160 28 2HG LYS 5 1HG LYS 5 4.098 -10.762 0.091 29 1HD LYS 5 1HD LYS 5 5.825 -9.862 2.027 30 2HD LYS 5 2HD LYS 5 6.233 -11.575 1.966 31 1HE LYS 5 1HE LYS 5 6.910 -11.473 -0.280 32 2HE LYS 5 2HE LYS 5 5.952 -10.015 -0.603 33 1HZ LYS 5 1HZ LYS 5 8.560 -9.925 -0.074 34 2HZ LYS 5 2HZ LYS 5 7.961 -9.800 1.508 35 3HZ LYS 5 3HZ LYS 5 7.501 -8.651 0.325 36 H ASN 6 H ASN 6 2.322 -8.976 3.994 37 HA ASN 6 HA ASN 6 -0.381 -7.756 3.501 38 1HB ASN 6 1HB ASN 6 0.540 -9.905 5.434 39 2HB ASN 6 2HB ASN 6 -1.028 -9.114 5.560 40 1HD2 ASN 6 1HD2 ASN 6 0.672 -11.668 4.000 41 2HD2 ASN 6 2HD2 ASN 6 -0.536 -12.079 2.882 42 H GLY 7 H GLY 7 0.096 -5.603 4.074 43 1HA GLY 7 1HA GLY 7 -0.047 -4.108 6.052 44 2HA GLY 7 2HA GLY 7 1.065 -5.197 6.881 45 H GLY 8 H GLY 8 1.000 -3.327 3.815 46 1HA GLY 8 1HA GLY 8 3.842 -2.548 4.405 47 2HA GLY 8 2HA GLY 8 3.225 -2.770 2.768 48 H ARG 9 H ARG 9 3.921 -0.530 2.344 49 HA ARG 9 HA ARG 9 1.858 1.443 3.238 50 1HB ARG 9 2HB ARG 9 4.462 1.284 4.187 51 2HB ARG 9 1HB ARG 9 4.570 2.511 2.925 52 1HG ARG 9 2HG ARG 9 2.491 2.526 5.127 53 2HG ARG 9 1HG ARG 9 3.995 3.442 5.187 54 1HD ARG 9 2HD ARG 9 2.227 3.764 2.783 55 2HD ARG 9 1HD ARG 9 1.783 4.590 4.287 56 HE ARG 9 HE ARG 9 4.340 5.326 4.200 57 1HH1 ARG 9 2HH1 ARG 9 4.828 4.421 1.463 58 2HH1 ARG 9 1HH1 ARG 9 4.409 5.810 0.507 59 1HH2 ARG 9 1HH2 ARG 9 2.642 7.334 3.025 60 2HH2 ARG 9 2HH2 ARG 9 3.178 7.435 1.379 61 H CYS 10 H CYS 10 1.084 2.632 1.484 62 HA CYS 10 HA CYS 10 2.810 2.684 -0.964 63 1HB CYS 10 1HB CYS 10 0.395 2.674 -2.104 64 2HB CYS 10 2HB CYS 10 1.204 1.178 -1.656 65 H ASN 11 H ASN 11 2.185 4.447 -2.510 66 HA ASN 11 HA ASN 11 1.312 6.911 -1.025 67 1HB ASN 11 1HB ASN 11 3.560 6.180 -2.774 68 2HB ASN 11 2HB ASN 11 2.777 7.682 -3.258 69 1HD2 ASN 11 1HD2 ASN 11 3.717 9.463 -2.261 70 2HD2 ASN 11 2HD2 ASN 11 4.388 9.465 -0.703 71 H ALA 12 H ALA 12 0.590 8.667 -2.777 72 HA ALA 12 HA ALA 12 -1.718 7.533 -4.200 73 1HB ALA 12 1HB ALA 12 -0.558 10.296 -3.780 74 2HB ALA 12 2HB ALA 12 -2.036 10.015 -4.701 75 3HB ALA 12 3HB ALA 12 -1.967 9.584 -2.992 76 H SER 13 H SER 13 1.542 8.089 -5.089 77 HA SER 13 HA SER 13 0.774 8.214 -7.990 78 1HB SER 13 1HB SER 13 1.872 10.249 -7.123 79 2HB SER 13 2HB SER 13 3.225 9.276 -6.544 80 HG SER 13 HG SER 13 3.409 10.323 -8.708 81 H ALA 14 H ALA 14 3.094 7.529 -9.189 82 HA ALA 14 HA ALA 14 3.496 4.701 -8.330 83 1HB ALA 14 1HB ALA 14 4.415 6.097 -10.856 84 2HB ALA 14 2HB ALA 14 4.162 4.368 -10.612 85 3HB ALA 14 3HB ALA 14 2.780 5.463 -10.667 86 H GLY 15 H GLY 15 5.568 3.891 -7.843 87 1HA GLY 15 1HA GLY 15 8.075 4.947 -8.374 88 2HA GLY 15 2HA GLY 15 7.551 5.821 -6.935 89 HA PRO 16 HA PRO 16 9.635 2.031 -5.480 90 1HB PRO 16 1HB PRO 16 10.594 3.173 -3.171 91 2HB PRO 16 2HB PRO 16 11.443 3.191 -4.731 92 1HG PRO 16 1HG PRO 16 9.782 5.311 -3.459 93 2HG PRO 16 2HG PRO 16 11.296 5.453 -4.363 94 1HD PRO 16 1HD PRO 16 8.901 6.021 -5.474 95 2HD PRO 16 2HD PRO 16 10.251 5.343 -6.412 96 HA PRO 17 HA PRO 17 6.824 2.200 -1.624 97 1HB PRO 17 1HB PRO 17 4.831 4.065 -1.534 98 2HB PRO 17 2HB PRO 17 6.452 4.351 -0.871 99 1HG PRO 17 1HG PRO 17 5.242 5.329 -3.388 100 2HG PRO 17 2HG PRO 17 6.433 6.097 -2.329 101 1HD PRO 17 1HD PRO 17 6.987 4.821 -4.731 102 2HD PRO 17 2HD PRO 17 8.166 5.203 -3.464 103 H TYR 18 H TYR 18 6.390 0.554 -3.607 104 HA TYR 18 HA TYR 18 3.504 0.757 -4.394 105 1HB TYR 18 1HB TYR 18 4.147 -0.791 -6.226 106 2HB TYR 18 2HB TYR 18 5.095 0.691 -6.248 107 HD1 TYR 18 HD1 TYR 18 7.456 0.667 -5.905 108 HD2 TYR 18 HD2 TYR 18 5.146 -2.903 -5.331 109 HE1 TYR 18 HE1 TYR 18 9.548 -0.667 -5.810 110 HE2 TYR 18 HE2 TYR 18 7.238 -4.240 -5.231 111 HH TYR 18 HH TYR 18 9.578 -3.952 -4.753 112 H CYS 19 H CYS 19 2.271 -1.315 -4.411 113 HA CYS 19 HA CYS 19 2.816 -2.872 -1.958 114 1HB CYS 19 1HB CYS 19 0.532 -3.038 -3.949 115 2HB CYS 19 2HB CYS 19 0.527 -3.603 -2.281 116 H CYS 20 H CYS 20 2.319 -5.370 -2.171 117 HA CYS 20 HA CYS 20 4.155 -6.417 -4.235 118 1HB CYS 20 1HB CYS 20 4.097 -7.018 -1.759 119 2HB CYS 20 2HB CYS 20 2.651 -7.950 -2.119 120 H SER 21 H SER 21 0.770 -7.130 -3.257 121 HA SER 21 HA SER 21 0.486 -8.724 -5.767 122 1HB SER 21 1HB SER 21 -1.233 -8.388 -3.292 123 2HB SER 21 2HB SER 21 -1.652 -9.432 -4.647 124 HG SER 21 HG SER 21 0.322 -9.712 -2.686 125 H SER 22 H SER 22 -1.857 -6.663 -4.058 126 HA SER 22 HA SER 22 -2.092 -4.708 -6.147 127 1HB SER 22 1HB SER 22 -3.673 -7.224 -6.273 128 2HB SER 22 2HB SER 22 -4.535 -5.738 -6.660 129 HG SER 22 HG SER 22 -2.022 -6.480 -7.787 130 H TYR 23 H TYR 23 -2.289 -5.129 -3.062 131 HA TYR 23 HA TYR 23 -4.891 -3.662 -2.735 132 1HB TYR 23 1HB TYR 23 -4.491 -6.021 -1.711 133 2HB TYR 23 2HB TYR 23 -3.452 -5.153 -0.586 134 HD1 TYR 23 HD1 TYR 23 -4.368 -3.250 0.775 135 HD2 TYR 23 HD2 TYR 23 -6.878 -5.906 -1.482 136 HE1 TYR 23 HE1 TYR 23 -6.334 -2.509 2.093 137 HE2 TYR 23 HE2 TYR 23 -8.843 -5.163 -0.162 138 HH TYR 23 HH TYR 23 -9.417 -2.922 1.179 139 H CYS 24 H CYS 24 -4.836 -1.783 -1.680 140 HA CYS 24 HA CYS 24 -2.513 -0.903 -0.084 141 1HB CYS 24 1HB CYS 24 -1.752 -0.259 -2.257 142 2HB CYS 24 2HB CYS 24 -3.356 0.287 -2.739 143 H PHE 25 H PHE 25 -3.713 -0.321 1.739 144 HA PHE 25 HA PHE 25 -6.349 0.994 1.397 145 1HB PHE 25 1HB PHE 25 -5.461 -0.834 3.126 146 2HB PHE 25 2HB PHE 25 -4.983 0.593 4.026 147 HD1 PHE 25 HD1 PHE 25 -6.625 2.167 4.901 148 HD2 PHE 25 HD2 PHE 25 -7.844 -1.280 2.646 149 HE1 PHE 25 HE1 PHE 25 -8.970 2.530 5.619 150 HE2 PHE 25 HE2 PHE 25 -10.189 -0.919 3.365 151 HZ PHE 25 HZ PHE 25 -10.755 0.983 4.852 152 H GLN 26 H GLN 26 -5.377 2.917 0.366 153 HA GLN 26 HA GLN 26 -3.942 4.748 2.250 154 1HB GLN 26 1HB GLN 26 -2.665 4.383 0.315 155 2HB GLN 26 2HB GLN 26 -4.090 4.352 -0.718 156 1HG GLN 26 1HG GLN 26 -4.424 6.749 -0.385 157 2HG GLN 26 2HG GLN 26 -3.077 6.798 0.749 158 1HE2 GLN 26 1HE2 GLN 26 -3.188 5.034 -2.388 159 2HE2 GLN 26 2HE2 GLN 26 -1.899 5.891 -3.078 160 H ILE 27 H ILE 27 -4.676 6.955 2.400 161 HA ILE 27 HA ILE 27 -7.529 7.352 1.540 162 HB ILE 27 HB ILE 27 -6.927 9.054 3.714 163 1HG1 ILE 27 1HG1 ILE 27 -6.025 6.196 4.212 164 2HG1 ILE 27 2HG1 ILE 27 -5.008 7.636 4.295 165 1HG2 ILE 27 1HG2 ILE 27 -8.508 6.483 3.482 166 2HG2 ILE 27 2HG2 ILE 27 -8.608 7.578 4.861 167 3HG2 ILE 27 3HG2 ILE 27 -9.114 8.125 3.261 168 1HD1 ILE 27 1HD1 ILE 27 -5.540 7.454 6.529 169 2HD1 ILE 27 2HD1 ILE 27 -6.922 8.412 6.000 170 3HD1 ILE 27 3HD1 ILE 27 -7.085 6.669 6.204 171 H ALA 28 H ALA 28 -8.098 9.766 1.387 172 HA ALA 28 HA ALA 28 -6.046 11.116 -0.253 173 1HB ALA 28 1HB ALA 28 -7.911 12.510 -0.898 174 2HB ALA 28 2HB ALA 28 -8.506 10.853 -0.812 175 3HB ALA 28 3HB ALA 28 -8.853 11.983 0.496 176 H GLY 29 H GLY 29 -4.731 12.720 0.543 177 1HA GLY 29 1HA GLY 29 -5.210 14.930 2.018 178 2HA GLY 29 2HA GLY 29 -5.180 13.713 3.293 179 H GLN 30 H GLN 30 -3.138 12.076 2.669 180 HA GLN 30 HA GLN 30 -0.755 13.883 2.353 181 1HB GLN 30 1HB GLN 30 -1.740 12.383 4.575 182 2HB GLN 30 2HB GLN 30 -0.209 11.668 4.067 183 1HG GLN 30 1HG GLN 30 0.943 13.401 4.939 184 2HG GLN 30 2HG GLN 30 -0.004 14.547 3.991 185 1HE2 GLN 30 1HE2 GLN 30 -1.580 15.781 5.103 186 2HE2 GLN 30 2HE2 GLN 30 -1.964 15.556 6.741 187 H SER 31 H SER 31 -2.300 11.416 0.825 188 HA SER 31 HA SER 31 -1.633 9.780 -0.736 189 1HB SER 31 1HB SER 31 -0.353 11.505 -1.767 190 2HB SER 31 2HB SER 31 0.816 11.539 -0.452 191 HG SER 31 HG SER 31 1.452 9.425 -1.082 192 H TYR 32 H TYR 32 -1.758 8.819 1.785 193 HA TYR 32 HA TYR 32 0.576 6.961 1.896 194 1HB TYR 32 1HB TYR 32 0.871 7.370 4.235 195 2HB TYR 32 2HB TYR 32 0.739 8.956 3.479 196 HD1 TYR 32 HD1 TYR 32 -1.479 10.176 3.555 197 HD2 TYR 32 HD2 TYR 32 -0.697 6.629 5.842 198 HE1 TYR 32 HE1 TYR 32 -3.385 10.718 5.051 199 HE2 TYR 32 HE2 TYR 32 -2.603 7.169 7.334 200 HH TYR 32 HH TYR 32 -3.819 9.747 7.887 201 H GLY 33 H GLY 33 0.028 4.860 2.383 202 1HA GLY 33 1HA GLY 33 -2.496 4.150 3.678 203 2HA GLY 33 2HA GLY 33 -2.468 3.773 1.956 204 H VAL 34 H VAL 34 -2.744 1.574 3.381 205 HA VAL 34 HA VAL 34 0.045 0.487 3.713 206 HB VAL 34 HB VAL 34 -0.909 -1.080 5.323 207 1HG1 VAL 34 1HG1 VAL 34 -2.275 1.039 6.590 208 2HG1 VAL 34 2HG1 VAL 34 -0.586 0.578 6.802 209 3HG1 VAL 34 3HG1 VAL 34 -1.023 1.794 5.603 210 1HG2 VAL 34 1HG2 VAL 34 -3.384 -0.336 4.002 211 2HG2 VAL 34 2HG2 VAL 34 -3.060 -1.702 5.066 212 3HG2 VAL 34 3HG2 VAL 34 -3.527 -0.143 5.747 213 H CYS 35 H CYS 35 0.638 -1.269 2.466 214 HA CYS 35 HA CYS 35 -1.246 -2.143 0.380 215 1HB CYS 35 1HB CYS 35 1.646 -2.782 0.954 216 2HB CYS 35 2HB CYS 35 0.774 -3.336 -0.456 217 H LYS 36 H LYS 36 -1.584 -4.345 -0.074 218 HA LYS 36 HA LYS 36 -1.107 -6.380 2.035 219 1HB LYS 36 1HB LYS 36 -3.520 -4.868 1.619 220 2HB LYS 36 2HB LYS 36 -3.819 -6.587 1.414 221 1HG LYS 36 2HG LYS 36 -2.217 -5.605 3.768 222 2HG LYS 36 1HG LYS 36 -3.976 -5.520 3.815 223 1HD LYS 36 1HD LYS 36 -2.208 -7.953 3.670 224 2HD LYS 36 2HD LYS 36 -3.551 -7.624 4.761 225 1HE LYS 36 1HE LYS 36 -5.109 -7.763 2.793 226 2HE LYS 36 2HE LYS 36 -3.730 -8.274 1.802 227 1HZ LYS 36 1HZ LYS 36 -4.902 -10.206 2.713 228 2HZ LYS 36 2HZ LYS 36 -4.643 -9.612 4.303 229 3HZ LYS 36 3HZ LYS 36 -3.304 -10.087 3.347 230 H ASN 37 H ASN 37 -1.845 -8.563 1.236 231 HA ASN 37 HA ASN 37 -1.285 -8.868 -1.644 232 1HB ASN 37 1HB ASN 37 -1.559 -10.593 0.787 233 2HB ASN 37 2HB ASN 37 -1.842 -11.356 -0.776 234 1HD2 ASN 37 1HD2 ASN 37 0.374 -12.262 0.590 235 2HD2 ASN 37 2HD2 ASN 37 1.797 -11.659 -0.107 236 H ARG 38 H ARG 38 -3.857 -10.023 0.527 237 HA ARG 38 HA ARG 38 -6.002 -9.014 -1.085 238 1HB ARG 38 1HB ARG 38 -4.806 -11.540 -1.769 239 2HB ARG 38 2HB ARG 38 -6.460 -11.810 -1.223 240 1HG ARG 38 1HG ARG 38 -5.626 -9.812 -3.351 241 2HG ARG 38 2HG ARG 38 -6.366 -11.381 -3.667 242 1HD ARG 38 1HD ARG 38 -7.682 -9.242 -1.952 243 2HD ARG 38 2HD ARG 38 -8.015 -9.455 -3.683 244 HE ARG 38 HE ARG 38 -8.346 -12.002 -2.750 245 1HH1 ARG 38 1HH1 ARG 38 -8.784 -10.341 -0.129 246 2HH1 ARG 38 2HH1 ARG 38 -10.527 -10.360 -0.094 247 1HH2 ARG 38 1HH2 ARG 38 -10.854 -11.415 -3.367 248 2HH2 ARG 38 2HH2 ARG 38 -11.693 -10.962 -1.926 Start of MODEL 3 1 HA ALA 1 HA ALA 1 13.122 -1.245 -2.627 2 1HB ALA 1 1HB ALA 1 11.674 0.452 -3.272 3 2HB ALA 1 2HB ALA 1 10.452 -0.673 -3.860 4 3HB ALA 1 3HB ALA 1 10.637 -0.397 -2.130 5 H GLY 2 H GLY 2 11.892 -1.657 -0.445 6 1HA GLY 2 1HA GLY 2 11.387 -4.562 -0.253 7 2HA GLY 2 2HA GLY 2 11.562 -3.449 1.106 8 H CYS 3 H CYS 3 9.399 -5.474 0.431 9 HA CYS 3 HA CYS 3 7.098 -3.604 0.820 10 1HB CYS 3 1HB CYS 3 5.824 -4.824 -0.871 11 2HB CYS 3 2HB CYS 3 7.330 -4.253 -1.580 12 H ILE 4 H ILE 4 5.206 -4.677 1.801 13 HA ILE 4 HA ILE 4 5.861 -7.260 3.190 14 HB ILE 4 HB ILE 4 4.486 -4.778 4.290 15 1HG1 ILE 4 1HG1 ILE 4 7.057 -5.991 5.295 16 2HG1 ILE 4 2HG1 ILE 4 7.081 -4.861 3.942 17 1HG2 ILE 4 1HG2 ILE 4 5.030 -6.286 6.455 18 2HG2 ILE 4 2HG2 ILE 4 3.503 -6.406 5.585 19 3HG2 ILE 4 3HG2 ILE 4 4.785 -7.575 5.276 20 1HD1 ILE 4 1HD1 ILE 4 6.921 -4.256 6.719 21 2HD1 ILE 4 2HD1 ILE 4 6.895 -3.129 5.364 22 3HD1 ILE 4 3HD1 ILE 4 5.385 -3.789 5.990 23 H LYS 5 H LYS 5 4.501 -8.659 2.108 24 HA LYS 5 HA LYS 5 2.075 -8.121 0.808 25 1HB LYS 5 1HB LYS 5 3.684 -10.354 1.606 26 2HB LYS 5 2HB LYS 5 1.997 -10.741 1.940 27 1HG LYS 5 2HG LYS 5 1.883 -11.288 -0.258 28 2HG LYS 5 1HG LYS 5 1.831 -9.548 -0.536 29 1HD LYS 5 1HD LYS 5 4.092 -9.430 -1.106 30 2HD LYS 5 2HD LYS 5 4.492 -10.916 -0.242 31 1HE LYS 5 1HE LYS 5 3.822 -12.276 -1.991 32 2HE LYS 5 2HE LYS 5 2.576 -11.133 -2.537 33 1HZ LYS 5 1HZ LYS 5 4.528 -11.153 -4.022 34 2HZ LYS 5 2HZ LYS 5 5.512 -10.663 -2.725 35 3HZ LYS 5 3HZ LYS 5 4.284 -9.621 -3.309 36 H ASN 6 H ASN 6 2.615 -8.791 4.253 37 HA ASN 6 HA ASN 6 -0.315 -8.824 4.736 38 1HB ASN 6 1HB ASN 6 1.915 -10.158 5.774 39 2HB ASN 6 2HB ASN 6 1.416 -9.061 7.061 40 1HD2 ASN 6 1HD2 ASN 6 0.911 -11.431 7.959 41 2HD2 ASN 6 2HD2 ASN 6 -0.672 -11.974 7.690 42 H GLY 7 H GLY 7 1.786 -6.316 4.369 43 1HA GLY 7 1HA GLY 7 0.195 -4.363 5.569 44 2HA GLY 7 2HA GLY 7 1.307 -4.852 6.842 45 H GLY 8 H GLY 8 1.578 -4.092 3.336 46 1HA GLY 8 1HA GLY 8 4.172 -2.750 3.848 47 2HA GLY 8 2HA GLY 8 3.446 -3.019 2.262 48 H ARG 9 H ARG 9 4.274 -0.531 2.361 49 HA ARG 9 HA ARG 9 1.831 1.085 3.011 50 1HB ARG 9 2HB ARG 9 4.181 1.057 4.454 51 2HB ARG 9 1HB ARG 9 4.439 2.410 3.357 52 1HG ARG 9 2HG ARG 9 3.370 3.223 5.396 53 2HG ARG 9 1HG ARG 9 2.238 3.355 4.052 54 1HD ARG 9 2HD ARG 9 0.976 2.411 5.862 55 2HD ARG 9 1HD ARG 9 1.348 1.042 4.796 56 HE ARG 9 HE ARG 9 3.110 1.690 7.136 57 1HH1 ARG 9 2HH1 ARG 9 0.805 -0.078 7.764 58 2HH1 ARG 9 1HH1 ARG 9 1.474 -1.653 7.511 59 1HH2 ARG 9 1HH2 ARG 9 4.167 -0.490 5.696 60 2HH2 ARG 9 2HH2 ARG 9 3.358 -1.902 6.307 61 H CYS 10 H CYS 10 1.316 2.649 1.455 62 HA CYS 10 HA CYS 10 3.343 3.369 -0.601 63 1HB CYS 10 1HB CYS 10 2.264 2.360 -2.398 64 2HB CYS 10 2HB CYS 10 1.940 1.194 -1.130 65 H ASN 11 H ASN 11 1.746 4.621 -2.416 66 HA ASN 11 HA ASN 11 -0.102 6.464 -0.992 67 1HB ASN 11 1HB ASN 11 1.247 8.399 -1.456 68 2HB ASN 11 2HB ASN 11 2.324 7.210 -0.734 69 1HD2 ASN 11 1HD2 ASN 11 2.831 9.474 -2.741 70 2HD2 ASN 11 2HD2 ASN 11 3.642 8.722 -4.023 71 H ALA 12 H ALA 12 -0.313 8.421 -2.975 72 HA ALA 12 HA ALA 12 -1.625 6.901 -5.162 73 1HB ALA 12 1HB ALA 12 -1.935 9.706 -5.453 74 2HB ALA 12 2HB ALA 12 -3.106 8.565 -4.790 75 3HB ALA 12 3HB ALA 12 -1.968 9.381 -3.719 76 H SER 13 H SER 13 0.918 6.443 -5.671 77 HA SER 13 HA SER 13 1.585 8.213 -7.982 78 1HB SER 13 1HB SER 13 3.267 7.620 -5.546 79 2HB SER 13 2HB SER 13 4.009 8.096 -7.069 80 HG SER 13 HG SER 13 2.708 9.996 -6.996 81 H ALA 14 H ALA 14 1.868 6.782 -9.704 82 HA ALA 14 HA ALA 14 2.379 3.937 -9.242 83 1HB ALA 14 1HB ALA 14 0.978 4.446 -11.067 84 2HB ALA 14 2HB ALA 14 2.010 5.770 -11.608 85 3HB ALA 14 3HB ALA 14 2.518 4.100 -11.855 86 H GLY 15 H GLY 15 4.520 4.487 -8.039 87 1HA GLY 15 1HA GLY 15 6.744 4.349 -10.022 88 2HA GLY 15 2HA GLY 15 6.845 5.538 -8.727 89 HA PRO 16 HA PRO 16 9.083 2.041 -7.016 90 1HB PRO 16 1HB PRO 16 10.304 3.479 -5.022 91 2HB PRO 16 2HB PRO 16 10.903 3.362 -6.688 92 1HG PRO 16 1HG PRO 16 9.327 5.531 -5.395 93 2HG PRO 16 2HG PRO 16 10.673 5.640 -6.539 94 1HD PRO 16 1HD PRO 16 8.100 5.968 -7.303 95 2HD PRO 16 2HD PRO 16 9.335 5.267 -8.371 96 HA PRO 17 HA PRO 17 6.947 2.570 -2.752 97 1HB PRO 17 1HB PRO 17 4.764 4.213 -2.623 98 2HB PRO 17 2HB PRO 17 6.413 4.759 -2.257 99 1HG PRO 17 1HG PRO 17 4.786 5.157 -4.707 100 2HG PRO 17 2HG PRO 17 5.936 6.249 -3.922 101 1HD PRO 17 1HD PRO 17 6.489 4.770 -6.164 102 2HD PRO 17 2HD PRO 17 7.714 5.370 -5.030 103 H TYR 18 H TYR 18 6.462 0.642 -4.475 104 HA TYR 18 HA TYR 18 3.526 0.395 -4.924 105 1HB TYR 18 1HB TYR 18 4.268 -1.636 -6.249 106 2HB TYR 18 2HB TYR 18 4.897 -0.101 -6.835 107 HD1 TYR 18 HD1 TYR 18 7.168 0.081 -7.265 108 HD2 TYR 18 HD2 TYR 18 5.802 -2.863 -4.452 109 HE1 TYR 18 HE1 TYR 18 9.487 -0.784 -7.043 110 HE2 TYR 18 HE2 TYR 18 8.121 -3.725 -4.228 111 HH TYR 18 HH TYR 18 10.297 -3.606 -6.013 112 H CYS 19 H CYS 19 2.447 -1.641 -4.258 113 HA CYS 19 HA CYS 19 3.203 -2.372 -1.527 114 1HB CYS 19 1HB CYS 19 0.964 -3.138 -3.410 115 2HB CYS 19 2HB CYS 19 1.057 -3.709 -1.746 116 H CYS 20 H CYS 20 2.969 -4.842 -0.980 117 HA CYS 20 HA CYS 20 5.101 -6.229 -2.467 118 1HB CYS 20 1HB CYS 20 4.476 -5.970 0.105 119 2HB CYS 20 2HB CYS 20 3.556 -7.429 -0.227 120 H SER 21 H SER 21 1.604 -6.631 -2.002 121 HA SER 21 HA SER 21 1.740 -9.094 -3.720 122 1HB SER 21 1HB SER 21 -0.789 -8.934 -2.529 123 2HB SER 21 2HB SER 21 0.547 -9.945 -1.995 124 HG SER 21 HG SER 21 -0.469 -7.596 -0.928 125 H SER 22 H SER 22 -0.927 -6.830 -3.025 126 HA SER 22 HA SER 22 -0.940 -5.645 -5.654 127 1HB SER 22 1HB SER 22 -2.448 -8.151 -5.103 128 2HB SER 22 2HB SER 22 -3.244 -6.937 -6.100 129 HG SER 22 HG SER 22 -0.572 -7.803 -6.561 130 H TYR 23 H TYR 23 -1.752 -5.287 -2.529 131 HA TYR 23 HA TYR 23 -4.164 -3.630 -3.201 132 1HB TYR 23 1HB TYR 23 -4.502 -5.856 -1.995 133 2HB TYR 23 2HB TYR 23 -3.663 -5.117 -0.639 134 HD1 TYR 23 HD1 TYR 23 -4.719 -3.604 0.820 135 HD2 TYR 23 HD2 TYR 23 -6.626 -4.718 -2.863 136 HE1 TYR 23 HE1 TYR 23 -6.789 -2.459 1.550 137 HE2 TYR 23 HE2 TYR 23 -8.699 -3.566 -2.128 138 HH TYR 23 HH TYR 23 -9.033 -1.426 -0.224 139 H CYS 24 H CYS 24 -4.409 -1.735 -1.978 140 HA CYS 24 HA CYS 24 -2.466 -1.005 0.104 141 1HB CYS 24 1HB CYS 24 -1.604 -0.454 -2.345 142 2HB CYS 24 2HB CYS 24 -2.671 0.942 -2.158 143 H PHE 25 H PHE 25 -3.807 -0.200 1.656 144 HA PHE 25 HA PHE 25 -6.334 1.169 0.878 145 1HB PHE 25 1HB PHE 25 -5.745 -0.679 2.735 146 2HB PHE 25 2HB PHE 25 -5.427 0.753 3.689 147 HD1 PHE 25 HD1 PHE 25 -7.202 2.453 4.078 148 HD2 PHE 25 HD2 PHE 25 -8.016 -1.270 2.093 149 HE1 PHE 25 HE1 PHE 25 -9.633 2.792 4.435 150 HE2 PHE 25 HE2 PHE 25 -10.444 -0.932 2.450 151 HZ PHE 25 HZ PHE 25 -11.254 1.099 3.621 152 H GLN 26 H GLN 26 -5.677 3.261 0.233 153 HA GLN 26 HA GLN 26 -4.077 4.871 2.193 154 1HB GLN 26 1HB GLN 26 -2.950 4.784 0.144 155 2HB GLN 26 2HB GLN 26 -4.444 4.830 -0.779 156 1HG GLN 26 1HG GLN 26 -4.775 7.190 0.179 157 2HG GLN 26 2HG GLN 26 -3.098 7.087 0.709 158 1HE2 GLN 26 1HE2 GLN 26 -4.876 6.270 -2.338 159 2HE2 GLN 26 2HE2 GLN 26 -3.761 7.045 -3.353 160 H ILE 27 H ILE 27 -4.792 7.060 2.616 161 HA ILE 27 HA ILE 27 -7.694 7.529 2.005 162 HB ILE 27 HB ILE 27 -7.013 8.818 4.430 163 1HG1 ILE 27 1HG1 ILE 27 -6.213 5.886 4.448 164 2HG1 ILE 27 2HG1 ILE 27 -5.075 7.229 4.564 165 1HG2 ILE 27 1HG2 ILE 27 -8.485 6.586 5.116 166 2HG2 ILE 27 2HG2 ILE 27 -9.157 8.108 4.530 167 3HG2 ILE 27 3HG2 ILE 27 -8.857 6.784 3.403 168 1HD1 ILE 27 1HD1 ILE 27 -5.574 6.396 6.805 169 2HD1 ILE 27 2HD1 ILE 27 -6.258 8.010 6.617 170 3HD1 ILE 27 3HD1 ILE 27 -7.303 6.592 6.521 171 H ALA 28 H ALA 28 -8.285 9.910 2.278 172 HA ALA 28 HA ALA 28 -6.536 11.528 0.627 173 1HB ALA 28 1HB ALA 28 -9.059 11.520 0.724 174 2HB ALA 28 2HB ALA 28 -8.944 12.335 2.284 175 3HB ALA 28 3HB ALA 28 -8.344 13.130 0.828 176 H GLY 29 H GLY 29 -5.828 13.743 1.280 177 1HA GLY 29 1HA GLY 29 -5.451 15.243 3.333 178 2HA GLY 29 2HA GLY 29 -4.780 13.791 4.080 179 H GLN 30 H GLN 30 -3.308 12.688 2.129 180 HA GLN 30 HA GLN 30 -1.522 14.710 0.918 181 1HB GLN 30 1HB GLN 30 -0.837 14.432 3.276 182 2HB GLN 30 2HB GLN 30 -0.689 12.694 3.028 183 1HG GLN 30 1HG GLN 30 0.819 13.966 0.966 184 2HG GLN 30 2HG GLN 30 1.260 14.741 2.487 185 1HE2 GLN 30 1HE2 GLN 30 3.366 13.688 2.569 186 2HE2 GLN 30 2HE2 GLN 30 3.517 12.026 2.870 187 H SER 31 H SER 31 -0.834 11.337 1.785 188 HA SER 31 HA SER 31 -1.633 9.975 -0.545 189 1HB SER 31 1HB SER 31 0.195 11.800 -1.291 190 2HB SER 31 2HB SER 31 1.299 10.535 -0.768 191 HG SER 31 HG SER 31 -0.121 10.693 -3.032 192 H TYR 32 H TYR 32 -1.872 8.791 1.666 193 HA TYR 32 HA TYR 32 0.522 7.037 2.034 194 1HB TYR 32 1HB TYR 32 -0.092 7.179 4.554 195 2HB TYR 32 2HB TYR 32 0.749 8.545 3.830 196 HD1 TYR 32 HD1 TYR 32 -0.249 10.691 3.733 197 HD2 TYR 32 HD2 TYR 32 -2.611 7.284 4.838 198 HE1 TYR 32 HE1 TYR 32 -2.105 12.199 4.409 199 HE2 TYR 32 HE2 TYR 32 -4.468 8.793 5.514 200 HH TYR 32 HH TYR 32 -5.070 11.487 4.648 201 H GLY 33 H GLY 33 -0.042 4.917 1.910 202 1HA GLY 33 1HA GLY 33 -2.749 4.097 2.852 203 2HA GLY 33 2HA GLY 33 -2.264 3.659 1.217 204 H VAL 34 H VAL 34 -2.932 1.703 3.090 205 HA VAL 34 HA VAL 34 -0.249 0.558 3.848 206 HB VAL 34 HB VAL 34 -1.480 -0.760 5.498 207 1HG1 VAL 34 1HG1 VAL 34 -1.026 1.854 5.737 208 2HG1 VAL 34 2HG1 VAL 34 -2.787 1.912 5.790 209 3HG1 VAL 34 3HG1 VAL 34 -1.901 0.960 6.980 210 1HG2 VAL 34 1HG2 VAL 34 -3.881 0.359 4.064 211 2HG2 VAL 34 2HG2 VAL 34 -3.519 -1.321 4.447 212 3HG2 VAL 34 3HG2 VAL 34 -4.000 -0.207 5.727 213 H CYS 35 H CYS 35 0.395 -1.324 2.851 214 HA CYS 35 HA CYS 35 -1.271 -2.291 0.629 215 1HB CYS 35 1HB CYS 35 1.468 -3.067 1.588 216 2HB CYS 35 2HB CYS 35 0.751 -3.543 0.065 217 H LYS 36 H LYS 36 -1.773 -4.437 0.290 218 HA LYS 36 HA LYS 36 -1.596 -6.398 2.499 219 1HB LYS 36 1HB LYS 36 -3.852 -4.720 1.930 220 2HB LYS 36 2HB LYS 36 -4.304 -6.400 1.672 221 1HG LYS 36 2HG LYS 36 -2.779 -5.603 4.144 222 2HG LYS 36 1HG LYS 36 -4.524 -5.360 4.072 223 1HD LYS 36 1HD LYS 36 -4.703 -7.511 4.748 224 2HD LYS 36 2HD LYS 36 -4.223 -7.945 3.109 225 1HE LYS 36 1HE LYS 36 -1.794 -7.761 3.909 226 2HE LYS 36 2HE LYS 36 -2.451 -7.699 5.558 227 1HZ LYS 36 1HZ LYS 36 -2.736 -9.872 3.535 228 2HZ LYS 36 2HZ LYS 36 -3.809 -9.725 4.863 229 3HZ LYS 36 3HZ LYS 36 -2.139 -9.980 5.144 230 H ASN 37 H ASN 37 -3.324 -8.302 1.501 231 HA ASN 37 HA ASN 37 -1.883 -9.520 -0.630 232 1HB ASN 37 1HB ASN 37 -4.667 -9.905 0.507 233 2HB ASN 37 2HB ASN 37 -3.948 -11.014 -0.658 234 1HD2 ASN 37 1HD2 ASN 37 -2.784 -12.711 0.274 235 2HD2 ASN 37 2HD2 ASN 37 -2.110 -12.684 1.830 236 H ARG 38 H ARG 38 -5.352 -8.709 -1.028 237 HA ARG 38 HA ARG 38 -4.880 -7.085 -3.381 238 1HB ARG 38 1HB ARG 38 -5.961 -8.731 -4.923 239 2HB ARG 38 2HB ARG 38 -4.424 -9.301 -4.274 240 1HG ARG 38 1HG ARG 38 -5.462 -11.100 -3.427 241 2HG ARG 38 2HG ARG 38 -6.446 -10.039 -2.419 242 1HD ARG 38 1HD ARG 38 -7.172 -10.479 -5.319 243 2HD ARG 38 2HD ARG 38 -7.701 -11.623 -4.065 244 HE ARG 38 HE ARG 38 -8.460 -9.360 -2.870 245 1HH1 ARG 38 1HH1 ARG 38 -10.115 -10.904 -5.053 246 2HH1 ARG 38 2HH1 ARG 38 -10.769 -9.552 -5.907 247 1HH2 ARG 38 1HH2 ARG 38 -8.601 -7.281 -4.430 248 2HH2 ARG 38 2HH2 ARG 38 -9.915 -7.491 -5.556 Start of MODEL 4 1 HA ALA 1 HA ALA 1 12.732 -5.469 -5.205 2 1HB ALA 1 1HB ALA 1 14.378 -3.375 -3.745 3 2HB ALA 1 2HB ALA 1 14.902 -4.991 -4.218 4 3HB ALA 1 3HB ALA 1 14.593 -3.768 -5.451 5 H GLY 2 H GLY 2 11.509 -6.653 -3.762 6 1HA GLY 2 1HA GLY 2 11.069 -7.465 -1.542 7 2HA GLY 2 2HA GLY 2 11.636 -5.927 -0.892 8 H CYS 3 H CYS 3 9.236 -7.067 -0.010 9 HA CYS 3 HA CYS 3 7.314 -4.938 -0.759 10 1HB CYS 3 1HB CYS 3 5.684 -6.409 -1.625 11 2HB CYS 3 2HB CYS 3 7.179 -7.057 -2.293 12 H ILE 4 H ILE 4 5.313 -5.106 0.727 13 HA ILE 4 HA ILE 4 6.027 -6.455 3.314 14 HB ILE 4 HB ILE 4 4.902 -3.675 2.840 15 1HG1 ILE 4 1HG1 ILE 4 7.311 -3.959 4.474 16 2HG1 ILE 4 2HG1 ILE 4 7.549 -4.582 2.842 17 1HG2 ILE 4 1HG2 ILE 4 5.411 -5.252 5.378 18 2HG2 ILE 4 2HG2 ILE 4 5.177 -3.506 5.360 19 3HG2 ILE 4 3HG2 ILE 4 3.878 -4.575 4.833 20 1HD1 ILE 4 1HD1 ILE 4 7.302 -2.516 1.875 21 2HD1 ILE 4 2HD1 ILE 4 6.122 -1.981 3.073 22 3HD1 ILE 4 3HD1 ILE 4 7.840 -1.972 3.463 23 H LYS 5 H LYS 5 4.558 -8.171 2.732 24 HA LYS 5 HA LYS 5 1.830 -7.792 1.987 25 1HB LYS 5 1HB LYS 5 1.745 -10.179 2.298 26 2HB LYS 5 2HB LYS 5 3.351 -9.793 1.686 27 1HG LYS 5 2HG LYS 5 4.352 -10.057 3.824 28 2HG LYS 5 1HG LYS 5 2.793 -10.009 4.649 29 1HD LYS 5 1HD LYS 5 2.202 -12.174 3.921 30 2HD LYS 5 2HD LYS 5 3.404 -12.167 2.632 31 1HE LYS 5 1HE LYS 5 4.406 -13.544 4.277 32 2HE LYS 5 2HE LYS 5 5.139 -11.958 4.600 33 1HZ LYS 5 1HZ LYS 5 3.434 -11.494 6.243 34 2HZ LYS 5 2HZ LYS 5 4.196 -12.979 6.623 35 3HZ LYS 5 3HZ LYS 5 2.659 -12.976 5.900 36 H ASN 6 H ASN 6 3.413 -7.556 5.076 37 HA ASN 6 HA ASN 6 0.886 -8.003 6.585 38 1HB ASN 6 1HB ASN 6 3.828 -7.805 7.179 39 2HB ASN 6 2HB ASN 6 2.670 -7.573 8.487 40 1HD2 ASN 6 1HD2 ASN 6 1.666 -9.441 9.346 41 2HD2 ASN 6 2HD2 ASN 6 1.901 -11.003 8.728 42 H GLY 7 H GLY 7 0.615 -5.723 5.047 43 1HA GLY 7 1HA GLY 7 -0.312 -3.571 5.574 44 2HA GLY 7 2HA GLY 7 0.520 -3.618 7.126 45 H GLY 8 H GLY 8 1.594 -3.794 3.702 46 1HA GLY 8 1HA GLY 8 4.030 -2.319 4.249 47 2HA GLY 8 2HA GLY 8 3.397 -2.692 2.646 48 H ARG 9 H ARG 9 4.245 -0.337 2.367 49 HA ARG 9 HA ARG 9 2.003 1.540 3.048 50 1HB ARG 9 2HB ARG 9 4.713 1.557 3.854 51 2HB ARG 9 1HB ARG 9 4.558 2.839 2.656 52 1HG ARG 9 2HG ARG 9 4.077 3.609 4.999 53 2HG ARG 9 1HG ARG 9 2.731 3.858 3.889 54 1HD ARG 9 2HD ARG 9 1.846 2.920 5.960 55 2HD ARG 9 1HD ARG 9 1.757 1.659 4.718 56 HE ARG 9 HE ARG 9 4.194 1.117 5.708 57 1HH1 ARG 9 1HH2 ARG 9 3.507 2.834 8.086 58 2HH1 ARG 9 2HH2 ARG 9 2.926 1.653 9.206 59 1HH2 ARG 9 2HH1 ARG 9 2.524 -0.799 6.794 60 2HH2 ARG 9 1HH1 ARG 9 2.372 -0.398 8.477 61 H CYS 10 H CYS 10 1.185 2.693 1.346 62 HA CYS 10 HA CYS 10 2.769 2.978 -1.155 63 1HB CYS 10 1HB CYS 10 0.725 2.086 -2.416 64 2HB CYS 10 2HB CYS 10 1.683 0.895 -1.546 65 H ASN 11 H ASN 11 1.412 4.248 -2.800 66 HA ASN 11 HA ASN 11 -0.644 6.057 -1.686 67 1HB ASN 11 1HB ASN 11 1.567 6.976 -0.970 68 2HB ASN 11 2HB ASN 11 2.063 7.042 -2.658 69 1HD2 ASN 11 1HD2 ASN 11 0.641 8.888 -0.193 70 2HD2 ASN 11 2HD2 ASN 11 -0.074 10.085 -1.167 71 H ALA 12 H ALA 12 -1.915 6.929 -3.364 72 HA ALA 12 HA ALA 12 -1.822 5.676 -5.954 73 1HB ALA 12 1HB ALA 12 -3.243 8.259 -5.628 74 2HB ALA 12 2HB ALA 12 -3.859 6.693 -6.160 75 3HB ALA 12 3HB ALA 12 -3.640 7.017 -4.440 76 H SER 13 H SER 13 -0.226 8.567 -4.754 77 HA SER 13 HA SER 13 0.553 9.243 -7.584 78 1HB SER 13 1HB SER 13 -0.949 10.860 -6.396 79 2HB SER 13 2HB SER 13 0.296 11.056 -5.164 80 HG SER 13 HG SER 13 1.705 11.760 -6.845 81 H ALA 14 H ALA 14 2.088 7.336 -6.135 82 HA ALA 14 HA ALA 14 4.530 8.939 -5.430 83 1HB ALA 14 1HB ALA 14 5.038 6.970 -3.939 84 2HB ALA 14 2HB ALA 14 3.577 7.847 -3.491 85 3HB ALA 14 3HB ALA 14 3.453 6.316 -4.355 86 H GLY 15 H GLY 15 3.951 5.465 -6.169 87 1HA GLY 15 1HA GLY 15 4.624 4.626 -8.447 88 2HA GLY 15 2HA GLY 15 5.996 5.725 -8.345 89 HA PRO 16 HA PRO 16 8.525 2.681 -6.593 90 1HB PRO 16 1HB PRO 16 9.749 3.908 -4.456 91 2HB PRO 16 2HB PRO 16 10.181 4.170 -6.158 92 1HG PRO 16 1HG PRO 16 8.455 5.820 -4.376 93 2HG PRO 16 2HG PRO 16 9.667 6.330 -5.557 94 1HD PRO 16 1HD PRO 16 7.038 6.419 -6.110 95 2HD PRO 16 2HD PRO 16 8.247 6.036 -7.356 96 HA PRO 17 HA PRO 17 6.809 1.989 -2.171 97 1HB PRO 17 1HB PRO 17 4.528 3.309 -1.451 98 2HB PRO 17 2HB PRO 17 6.152 3.947 -1.123 99 1HG PRO 17 1HG PRO 17 4.234 4.672 -3.276 100 2HG PRO 17 2HG PRO 17 5.321 5.707 -2.336 101 1HD PRO 17 1HD PRO 17 5.835 4.888 -4.891 102 2HD PRO 17 2HD PRO 17 7.093 5.310 -3.713 103 H TYR 18 H TYR 18 6.326 0.450 -4.199 104 HA TYR 18 HA TYR 18 3.475 0.112 -4.831 105 1HB TYR 18 1HB TYR 18 4.338 -1.701 -6.271 106 2HB TYR 18 2HB TYR 18 5.275 -0.225 -6.491 107 HD1 TYR 18 HD1 TYR 18 7.601 -0.180 -6.067 108 HD2 TYR 18 HD2 TYR 18 5.240 -3.497 -4.710 109 HE1 TYR 18 HE1 TYR 18 9.672 -1.403 -5.455 110 HE2 TYR 18 HE2 TYR 18 7.310 -4.719 -4.098 111 HH TYR 18 HH TYR 18 9.600 -4.289 -3.550 112 H CYS 19 H CYS 19 2.335 -1.959 -4.422 113 HA CYS 19 HA CYS 19 2.866 -2.947 -1.684 114 1HB CYS 19 1HB CYS 19 0.617 -3.391 -3.669 115 2HB CYS 19 2HB CYS 19 0.595 -3.903 -1.987 116 H CYS 20 H CYS 20 2.416 -5.411 -1.366 117 HA CYS 20 HA CYS 20 4.373 -6.886 -2.948 118 1HB CYS 20 1HB CYS 20 3.793 -7.032 -0.435 119 2HB CYS 20 2HB CYS 20 2.450 -8.050 -0.946 120 H SER 21 H SER 21 0.859 -7.490 -2.396 121 HA SER 21 HA SER 21 0.924 -9.304 -4.767 122 1HB SER 21 1HB SER 21 -1.090 -8.848 -2.545 123 2HB SER 21 2HB SER 21 -1.276 -10.046 -3.823 124 HG SER 21 HG SER 21 0.710 -10.968 -3.093 125 H SER 22 H SER 22 -1.681 -7.213 -3.504 126 HA SER 22 HA SER 22 -1.723 -5.527 -5.855 127 1HB SER 22 1HB SER 22 -3.331 -8.020 -5.692 128 2HB SER 22 2HB SER 22 -4.132 -6.604 -6.369 129 HG SER 22 HG SER 22 -1.544 -7.471 -7.185 130 H TYR 23 H TYR 23 -2.218 -5.601 -2.709 131 HA TYR 23 HA TYR 23 -4.746 -3.979 -2.830 132 1HB TYR 23 1HB TYR 23 -4.573 -6.204 -1.496 133 2HB TYR 23 2HB TYR 23 -3.595 -5.256 -0.379 134 HD1 TYR 23 HD1 TYR 23 -4.529 -3.342 0.844 135 HD2 TYR 23 HD2 TYR 23 -6.964 -5.786 -1.715 136 HE1 TYR 23 HE1 TYR 23 -6.571 -2.372 1.861 137 HE2 TYR 23 HE2 TYR 23 -9.007 -4.815 -0.695 138 HH TYR 23 HH TYR 23 -9.395 -3.612 1.862 139 H CYS 24 H CYS 24 -4.740 -2.006 -1.860 140 HA CYS 24 HA CYS 24 -2.424 -1.021 -0.300 141 1HB CYS 24 1HB CYS 24 -1.698 -0.629 -2.580 142 2HB CYS 24 2HB CYS 24 -3.271 0.032 -3.022 143 H PHE 25 H PHE 25 -3.651 -0.289 1.456 144 HA PHE 25 HA PHE 25 -6.233 1.115 0.947 145 1HB PHE 25 1HB PHE 25 -5.511 -0.754 2.722 146 2HB PHE 25 2HB PHE 25 -5.045 0.660 3.648 147 HD1 PHE 25 HD1 PHE 25 -7.895 -1.041 1.990 148 HD2 PHE 25 HD2 PHE 25 -6.670 2.185 4.548 149 HE1 PHE 25 HE1 PHE 25 -10.260 -0.628 2.599 150 HE2 PHE 25 HE2 PHE 25 -9.036 2.600 5.158 151 HZ PHE 25 HZ PHE 25 -10.834 1.192 4.185 152 H GLN 26 H GLN 26 -5.374 3.151 0.120 153 HA GLN 26 HA GLN 26 -3.859 4.774 2.143 154 1HB GLN 26 1HB GLN 26 -2.646 4.204 0.066 155 2HB GLN 26 2HB GLN 26 -3.944 4.911 -0.878 156 1HG GLN 26 1HG GLN 26 -3.054 6.796 1.127 157 2HG GLN 26 2HG GLN 26 -1.680 6.239 0.176 158 1HE2 GLN 26 1HE2 GLN 26 -3.946 8.656 0.231 159 2HE2 GLN 26 2HE2 GLN 26 -4.053 8.977 -1.435 160 H ILE 27 H ILE 27 -4.607 6.853 2.611 161 HA ILE 27 HA ILE 27 -7.271 7.573 1.421 162 HB ILE 27 HB ILE 27 -6.970 8.946 3.843 163 1HG1 ILE 27 1HG1 ILE 27 -6.132 6.041 4.155 164 2HG1 ILE 27 2HG1 ILE 27 -5.118 7.445 4.493 165 1HG2 ILE 27 1HG2 ILE 27 -8.938 7.826 4.413 166 2HG2 ILE 27 2HG2 ILE 27 -8.937 7.700 2.652 167 3HG2 ILE 27 3HG2 ILE 27 -8.425 6.327 3.637 168 1HD1 ILE 27 1HD1 ILE 27 -5.978 7.570 6.568 169 2HD1 ILE 27 2HD1 ILE 27 -7.593 7.782 5.890 170 3HD1 ILE 27 3HD1 ILE 27 -6.986 6.162 6.233 171 H ALA 28 H ALA 28 -7.719 9.942 1.385 172 HA ALA 28 HA ALA 28 -5.367 11.422 0.367 173 1HB ALA 28 1HB ALA 28 -7.499 11.281 -0.871 174 2HB ALA 28 2HB ALA 28 -8.335 12.050 0.479 175 3HB ALA 28 3HB ALA 28 -7.132 12.952 -0.444 176 H GLY 29 H GLY 29 -6.701 11.088 3.426 177 1HA GLY 29 1HA GLY 29 -6.860 13.820 4.322 178 2HA GLY 29 2HA GLY 29 -6.655 12.416 5.370 179 H GLN 30 H GLN 30 -4.261 11.379 4.625 180 HA GLN 30 HA GLN 30 -2.322 13.646 5.003 181 1HB GLN 30 1HB GLN 30 -3.032 11.673 6.783 182 2HB GLN 30 2HB GLN 30 -1.596 10.982 6.027 183 1HG GLN 30 1HG GLN 30 -1.144 13.780 6.577 184 2HG GLN 30 2HG GLN 30 -1.681 12.966 8.046 185 1HE2 GLN 30 1HE2 GLN 30 0.471 12.031 5.283 186 2HE2 GLN 30 2HE2 GLN 30 1.727 11.476 6.285 187 H SER 31 H SER 31 -3.277 11.453 2.753 188 HA SER 31 HA SER 31 -2.278 10.574 0.813 189 1HB SER 31 1HB SER 31 -1.128 12.947 1.201 190 2HB SER 31 2HB SER 31 0.293 11.947 1.502 191 HG SER 31 HG SER 31 -0.021 12.549 -0.740 192 H TYR 32 H TYR 32 -2.274 8.889 2.981 193 HA TYR 32 HA TYR 32 0.296 7.412 2.599 194 1HB TYR 32 1HB TYR 32 0.623 7.198 4.933 195 2HB TYR 32 2HB TYR 32 0.124 8.873 4.730 196 HD1 TYR 32 HD1 TYR 32 -0.691 5.650 6.175 197 HD2 TYR 32 HD2 TYR 32 -2.274 9.516 5.186 198 HE1 TYR 32 HE1 TYR 32 -2.588 5.272 7.732 199 HE2 TYR 32 HE2 TYR 32 -4.171 9.137 6.743 200 HH TYR 32 HH TYR 32 -4.253 7.205 9.088 201 H GLY 33 H GLY 33 0.030 5.131 2.555 202 1HA GLY 33 1HA GLY 33 -2.668 4.068 3.205 203 2HA GLY 33 2HA GLY 33 -2.063 3.828 1.572 204 H VAL 34 H VAL 34 -2.733 1.637 3.005 205 HA VAL 34 HA VAL 34 -0.054 0.485 3.742 206 HB VAL 34 HB VAL 34 -1.326 -0.973 5.334 207 1HG1 VAL 34 1HG1 VAL 34 -1.458 0.660 7.020 208 2HG1 VAL 34 2HG1 VAL 34 -0.340 1.376 5.861 209 3HG1 VAL 34 3HG1 VAL 34 -2.022 1.901 5.904 210 1HG2 VAL 34 1HG2 VAL 34 -3.521 -0.546 3.948 211 2HG2 VAL 34 2HG2 VAL 34 -3.623 -0.744 5.696 212 3HG2 VAL 34 3HG2 VAL 34 -3.676 0.870 4.988 213 H CYS 35 H CYS 35 0.515 -1.372 2.631 214 HA CYS 35 HA CYS 35 -1.305 -2.285 0.499 215 1HB CYS 35 1HB CYS 35 1.511 -3.027 1.274 216 2HB CYS 35 2HB CYS 35 0.695 -3.597 -0.165 217 H LYS 36 H LYS 36 -1.744 -4.484 0.137 218 HA LYS 36 HA LYS 36 -1.445 -6.435 2.351 219 1HB LYS 36 1HB LYS 36 -3.759 -4.814 1.853 220 2HB LYS 36 2HB LYS 36 -4.176 -6.509 1.629 221 1HG LYS 36 2HG LYS 36 -2.580 -5.626 4.028 222 2HG LYS 36 1HG LYS 36 -4.337 -5.471 4.025 223 1HD LYS 36 1HD LYS 36 -4.621 -7.684 4.359 224 2HD LYS 36 2HD LYS 36 -3.502 -8.090 3.065 225 1HE LYS 36 1HE LYS 36 -1.949 -7.037 5.218 226 2HE LYS 36 2HE LYS 36 -3.052 -8.253 5.888 227 1HZ LYS 36 1HZ LYS 36 -1.675 -9.774 5.032 228 2HZ LYS 36 2HZ LYS 36 -0.796 -8.614 4.142 229 3HZ LYS 36 3HZ LYS 36 -2.218 -9.327 3.478 230 H ASN 37 H ASN 37 -3.268 -8.308 1.394 231 HA ASN 37 HA ASN 37 -1.883 -9.499 -0.835 232 1HB ASN 37 1HB ASN 37 -4.553 -10.105 0.492 233 2HB ASN 37 2HB ASN 37 -3.667 -11.212 -0.554 234 1HD2 ASN 37 1HD2 ASN 37 -2.259 -12.609 0.524 235 2HD2 ASN 37 2HD2 ASN 37 -1.643 -12.352 2.085 236 H ARG 38 H ARG 38 -5.428 -9.150 -0.890 237 HA ARG 38 HA ARG 38 -5.538 -7.266 -3.056 238 1HB ARG 38 1HB ARG 38 -4.502 -9.347 -4.088 239 2HB ARG 38 2HB ARG 38 -6.027 -10.171 -3.763 240 1HG ARG 38 1HG ARG 38 -6.291 -7.564 -5.138 241 2HG ARG 38 2HG ARG 38 -5.495 -8.825 -6.081 242 1HD ARG 38 1HD ARG 38 -7.406 -10.090 -6.246 243 2HD ARG 38 2HD ARG 38 -7.955 -9.650 -4.614 244 HE ARG 38 HE ARG 38 -7.977 -7.551 -6.735 245 1HH1 ARG 38 1HH1 ARG 38 -9.182 -7.621 -3.855 246 2HH1 ARG 38 2HH1 ARG 38 -10.875 -7.693 -4.268 247 1HH2 ARG 38 1HH2 ARG 38 -10.299 -8.527 -7.574 248 2HH2 ARG 38 2HH2 ARG 38 -11.502 -8.207 -6.374 Start of MODEL 5 1 HA ALA 1 HA ALA 1 12.969 -5.670 -4.270 2 1HB ALA 1 1HB ALA 1 10.444 -5.257 -4.564 3 2HB ALA 1 2HB ALA 1 11.188 -6.385 -5.698 4 3HB ALA 1 3HB ALA 1 10.247 -6.994 -4.338 5 H GLY 2 H GLY 2 11.532 -3.880 -3.047 6 1HA GLY 2 1HA GLY 2 11.716 -4.541 -0.146 7 2HA GLY 2 2HA GLY 2 11.740 -2.913 -0.819 8 H CYS 3 H CYS 3 9.643 -5.659 -0.054 9 HA CYS 3 HA CYS 3 7.393 -3.763 0.290 10 1HB CYS 3 1HB CYS 3 5.957 -4.906 -1.281 11 2HB CYS 3 2HB CYS 3 7.457 -4.523 -2.121 12 H ILE 4 H ILE 4 5.492 -4.882 1.322 13 HA ILE 4 HA ILE 4 6.382 -7.253 2.946 14 HB ILE 4 HB ILE 4 4.723 -4.803 3.621 15 1HG1 ILE 4 1HG1 ILE 4 7.087 -5.826 5.165 16 2HG1 ILE 4 2HG1 ILE 4 7.370 -4.959 3.655 17 1HG2 ILE 4 1HG2 ILE 4 4.648 -5.872 5.936 18 2HG2 ILE 4 2HG2 ILE 4 3.611 -6.615 4.719 19 3HG2 ILE 4 3HG2 ILE 4 5.140 -7.377 5.159 20 1HD1 ILE 4 1HD1 ILE 4 7.073 -3.731 6.066 21 2HD1 ILE 4 2HD1 ILE 4 6.695 -2.962 4.524 22 3HD1 ILE 4 3HD1 ILE 4 5.410 -3.701 5.479 23 H LYS 5 H LYS 5 5.155 -9.028 2.481 24 HA LYS 5 HA LYS 5 3.018 -9.180 0.695 25 1HB LYS 5 1HB LYS 5 4.544 -10.905 2.145 26 2HB LYS 5 2HB LYS 5 2.992 -11.086 2.964 27 1HG LYS 5 2HG LYS 5 2.782 -11.035 0.027 28 2HG LYS 5 1HG LYS 5 3.708 -12.402 0.652 29 1HD LYS 5 1HD LYS 5 1.890 -13.158 1.991 30 2HD LYS 5 2HD LYS 5 1.018 -11.635 1.804 31 1HE LYS 5 1HE LYS 5 0.715 -12.095 -0.612 32 2HE LYS 5 2HE LYS 5 1.579 -13.636 -0.419 33 1HZ LYS 5 1HZ LYS 5 -0.823 -13.953 -0.202 34 2HZ LYS 5 2HZ LYS 5 -0.887 -12.817 1.073 35 3HZ LYS 5 3HZ LYS 5 -0.041 -14.294 1.265 36 H ASN 6 H ASN 6 2.818 -8.853 4.256 37 HA ASN 6 HA ASN 6 -0.059 -8.059 3.923 38 1HB ASN 6 1HB ASN 6 0.172 -10.360 4.757 39 2HB ASN 6 2HB ASN 6 1.253 -9.805 6.034 40 1HD2 ASN 6 1HD2 ASN 6 0.235 -9.400 7.995 41 2HD2 ASN 6 2HD2 ASN 6 -1.411 -9.043 8.181 42 H GLY 7 H GLY 7 0.258 -5.814 4.218 43 1HA GLY 7 1HA GLY 7 0.135 -4.057 5.916 44 2HA GLY 7 2HA GLY 7 1.229 -5.004 6.925 45 H GLY 8 H GLY 8 1.177 -3.409 3.722 46 1HA GLY 8 1HA GLY 8 4.033 -2.624 4.210 47 2HA GLY 8 2HA GLY 8 3.411 -3.000 2.602 48 H ARG 9 H ARG 9 4.570 -0.564 2.822 49 HA ARG 9 HA ARG 9 2.341 1.394 3.261 50 1HB ARG 9 2HB ARG 9 4.725 1.411 4.381 51 2HB ARG 9 1HB ARG 9 5.239 2.086 2.833 52 1HG ARG 9 2HG ARG 9 4.682 4.052 3.891 53 2HG ARG 9 1HG ARG 9 3.090 3.639 3.253 54 1HD ARG 9 2HD ARG 9 3.060 2.232 5.597 55 2HD ARG 9 1HD ARG 9 4.047 3.635 6.058 56 HE ARG 9 HE ARG 9 1.335 3.872 4.788 57 1HH1 ARG 9 2HH1 ARG 9 3.110 6.269 4.707 58 2HH1 ARG 9 1HH1 ARG 9 2.633 7.123 6.135 59 1HH2 ARG 9 1HH2 ARG 9 1.049 4.389 7.535 60 2HH2 ARG 9 2HH2 ARG 9 1.452 6.058 7.733 61 H CYS 10 H CYS 10 1.490 2.468 1.488 62 HA CYS 10 HA CYS 10 3.099 2.686 -1.011 63 1HB CYS 10 1HB CYS 10 1.184 1.666 -2.299 64 2HB CYS 10 2HB CYS 10 2.002 0.535 -1.228 65 H ASN 11 H ASN 11 1.295 3.647 -2.746 66 HA ASN 11 HA ASN 11 -0.521 5.621 -1.537 67 1HB ASN 11 1HB ASN 11 2.212 6.227 -1.923 68 2HB ASN 11 2HB ASN 11 1.364 7.032 -3.243 69 1HD2 ASN 11 1HD2 ASN 11 1.587 6.838 0.304 70 2HD2 ASN 11 2HD2 ASN 11 0.776 8.305 0.597 71 H ALA 12 H ALA 12 -2.107 6.158 -3.029 72 HA ALA 12 HA ALA 12 -2.080 4.787 -5.637 73 1HB ALA 12 1HB ALA 12 -4.051 4.833 -4.152 74 2HB ALA 12 2HB ALA 12 -4.084 6.594 -4.238 75 3HB ALA 12 3HB ALA 12 -4.420 5.636 -5.678 76 H SER 13 H SER 13 -0.064 6.434 -5.974 77 HA SER 13 HA SER 13 -1.152 8.687 -7.630 78 1HB SER 13 1HB SER 13 -0.391 9.513 -5.425 79 2HB SER 13 2HB SER 13 1.186 8.774 -5.692 80 HG SER 13 HG SER 13 0.665 11.154 -6.306 81 H ALA 14 H ALA 14 1.317 9.655 -8.533 82 HA ALA 14 HA ALA 14 2.163 7.434 -10.324 83 1HB ALA 14 1HB ALA 14 1.442 9.733 -11.101 84 2HB ALA 14 2HB ALA 14 2.894 10.380 -10.337 85 3HB ALA 14 3HB ALA 14 3.036 9.245 -11.679 86 H GLY 15 H GLY 15 3.683 6.181 -9.195 87 1HA GLY 15 1HA GLY 15 6.365 6.818 -9.069 88 2HA GLY 15 2HA GLY 15 5.751 7.412 -7.528 89 HA PRO 16 HA PRO 16 5.943 3.440 -5.765 90 1HB PRO 16 1HB PRO 16 3.550 3.141 -4.456 91 2HB PRO 16 2HB PRO 16 4.855 4.203 -3.884 92 1HG PRO 16 1HG PRO 16 2.402 4.891 -5.440 93 2HG PRO 16 2HG PRO 16 3.143 5.740 -4.072 94 1HD PRO 16 1HD PRO 16 3.479 6.568 -6.609 95 2HD PRO 16 2HD PRO 16 4.761 6.731 -5.386 96 HA PRO 17 HA PRO 17 3.906 1.002 -8.942 97 1HB PRO 17 1HB PRO 17 5.410 -1.260 -8.576 98 2HB PRO 17 2HB PRO 17 5.999 0.157 -9.469 99 1HG PRO 17 1HG PRO 17 6.581 -0.703 -6.683 100 2HG PRO 17 2HG PRO 17 7.650 0.039 -7.885 101 1HD PRO 17 1HD PRO 17 6.504 1.400 -5.806 102 2HD PRO 17 2HD PRO 17 7.010 2.156 -7.333 103 H TYR 18 H TYR 18 3.477 -1.718 -8.660 104 HA TYR 18 HA TYR 18 1.213 -1.919 -6.968 105 1HB TYR 18 1HB TYR 18 1.490 -4.388 -7.429 106 2HB TYR 18 2HB TYR 18 1.541 -3.374 -8.867 107 HD1 TYR 18 HD1 TYR 18 3.701 -5.121 -6.377 108 HD2 TYR 18 HD2 TYR 18 3.433 -3.373 -10.289 109 HE1 TYR 18 HE1 TYR 18 5.930 -6.052 -6.943 110 HE2 TYR 18 HE2 TYR 18 5.664 -4.301 -10.857 111 HH TYR 18 HH TYR 18 7.639 -5.129 -9.817 112 H CYS 19 H CYS 19 0.897 -3.059 -4.959 113 HA CYS 19 HA CYS 19 3.005 -2.674 -2.993 114 1HB CYS 19 1HB CYS 19 0.202 -3.738 -3.078 115 2HB CYS 19 2HB CYS 19 1.169 -4.031 -1.634 116 H CYS 20 H CYS 20 3.085 -4.847 -1.352 117 HA CYS 20 HA CYS 20 4.827 -6.675 -2.756 118 1HB CYS 20 1HB CYS 20 4.576 -5.867 -0.248 119 2HB CYS 20 2HB CYS 20 3.588 -7.313 -0.126 120 H SER 21 H SER 21 1.461 -7.016 -1.589 121 HA SER 21 HA SER 21 1.392 -9.768 -2.767 122 1HB SER 21 1HB SER 21 -0.286 -8.199 -0.806 123 2HB SER 21 2HB SER 21 -0.910 -9.670 -1.546 124 HG SER 21 HG SER 21 0.660 -9.472 0.544 125 H SER 22 H SER 22 -1.119 -7.282 -2.485 126 HA SER 22 HA SER 22 -1.292 -6.659 -5.273 127 1HB SER 22 1HB SER 22 -2.708 -9.041 -4.221 128 2HB SER 22 2HB SER 22 -3.647 -7.997 -5.286 129 HG SER 22 HG SER 22 -1.045 -9.017 -5.854 130 H TYR 23 H TYR 23 -1.832 -5.629 -2.292 131 HA TYR 23 HA TYR 23 -4.270 -4.090 -3.089 132 1HB TYR 23 1HB TYR 23 -4.558 -6.111 -1.514 133 2HB TYR 23 2HB TYR 23 -3.745 -5.108 -0.319 134 HD1 TYR 23 HD1 TYR 23 -6.642 -5.112 -2.680 135 HD2 TYR 23 HD2 TYR 23 -4.917 -3.436 0.878 136 HE1 TYR 23 HE1 TYR 23 -8.753 -3.889 -2.225 137 HE2 TYR 23 HE2 TYR 23 -7.028 -2.223 1.332 138 HH TYR 23 HH TYR 23 -9.718 -2.837 0.443 139 H CYS 24 H CYS 24 -4.448 -2.055 -2.117 140 HA CYS 24 HA CYS 24 -2.302 -1.015 -0.371 141 1HB CYS 24 1HB CYS 24 -1.406 -0.735 -2.644 142 2HB CYS 24 2HB CYS 24 -2.909 0.021 -3.171 143 H PHE 25 H PHE 25 -3.463 0.108 1.168 144 HA PHE 25 HA PHE 25 -6.113 1.309 0.398 145 1HB PHE 25 1HB PHE 25 -5.522 -0.600 2.180 146 2HB PHE 25 2HB PHE 25 -5.224 0.794 3.194 147 HD1 PHE 25 HD1 PHE 25 -6.996 1.709 4.385 148 HD2 PHE 25 HD2 PHE 25 -7.798 -0.440 0.753 149 HE1 PHE 25 HE1 PHE 25 -9.429 2.006 4.747 150 HE2 PHE 25 HE2 PHE 25 -10.231 -0.145 1.115 151 HZ PHE 25 HZ PHE 25 -11.048 1.081 3.113 152 H GLN 26 H GLN 26 -5.905 3.552 0.163 153 HA GLN 26 HA GLN 26 -4.203 4.985 2.185 154 1HB GLN 26 1HB GLN 26 -3.051 5.017 0.107 155 2HB GLN 26 2HB GLN 26 -4.529 5.334 -0.790 156 1HG GLN 26 1HG GLN 26 -4.709 7.544 0.363 157 2HG GLN 26 2HG GLN 26 -3.168 7.221 1.153 158 1HE2 GLN 26 1HE2 GLN 26 -3.286 9.478 -0.453 159 2HE2 GLN 26 2HE2 GLN 26 -2.422 9.220 -1.890 160 H ILE 27 H ILE 27 -5.025 6.948 2.978 161 HA ILE 27 HA ILE 27 -7.777 7.719 2.082 162 HB ILE 27 HB ILE 27 -7.487 8.227 4.865 163 1HG1 ILE 27 1HG1 ILE 27 -6.880 5.349 4.102 164 2HG1 ILE 27 2HG1 ILE 27 -5.751 6.452 4.889 165 1HG2 ILE 27 1HG2 ILE 27 -9.188 6.589 3.042 166 2HG2 ILE 27 2HG2 ILE 27 -9.301 6.268 4.771 167 3HG2 ILE 27 3HG2 ILE 27 -9.653 7.880 4.150 168 1HD1 ILE 27 1HD1 ILE 27 -6.709 6.153 6.920 169 2HD1 ILE 27 2HD1 ILE 27 -8.339 6.279 6.263 170 3HD1 ILE 27 3HD1 ILE 27 -7.480 4.740 6.201 171 H ALA 28 H ALA 28 -8.368 9.951 2.953 172 HA ALA 28 HA ALA 28 -6.224 11.826 2.274 173 1HB ALA 28 1HB ALA 28 -9.068 12.271 3.241 174 2HB ALA 28 2HB ALA 28 -8.051 13.453 2.416 175 3HB ALA 28 3HB ALA 28 -8.608 12.017 1.556 176 H GLY 29 H GLY 29 -5.500 13.545 3.659 177 1HA GLY 29 1HA GLY 29 -5.754 14.576 5.998 178 2HA GLY 29 2HA GLY 29 -5.642 12.912 6.579 179 H GLN 30 H GLN 30 -3.684 11.874 4.990 180 HA GLN 30 HA GLN 30 -1.303 13.651 5.342 181 1HB GLN 30 1HB GLN 30 -1.936 11.939 7.234 182 2HB GLN 30 2HB GLN 30 -1.240 10.755 6.128 183 1HG GLN 30 1HG GLN 30 0.648 12.734 6.039 184 2HG GLN 30 2HG GLN 30 0.090 12.866 7.706 185 1HE2 GLN 30 1HE2 GLN 30 2.331 12.017 8.242 186 2HE2 GLN 30 2HE2 GLN 30 2.596 10.344 8.187 187 H SER 31 H SER 31 -3.003 11.584 3.256 188 HA SER 31 HA SER 31 -2.472 10.704 1.139 189 1HB SER 31 1HB SER 31 -1.170 12.983 1.242 190 2HB SER 31 2HB SER 31 0.253 11.956 1.410 191 HG SER 31 HG SER 31 -0.244 10.990 -0.543 192 H TYR 32 H TYR 32 -2.215 8.931 3.181 193 HA TYR 32 HA TYR 32 0.322 7.470 2.529 194 1HB TYR 32 1HB TYR 32 0.457 6.812 4.841 195 2HB TYR 32 2HB TYR 32 0.198 8.552 4.805 196 HD1 TYR 32 HD1 TYR 32 -2.119 9.468 5.222 197 HD2 TYR 32 HD2 TYR 32 -1.123 5.339 5.846 198 HE1 TYR 32 HE1 TYR 32 -4.132 9.197 6.649 199 HE2 TYR 32 HE2 TYR 32 -3.136 5.068 7.271 200 HH TYR 32 HH TYR 32 -4.842 7.619 8.546 201 H GLY 33 H GLY 33 0.067 5.371 1.857 202 1HA GLY 33 1HA GLY 33 -2.648 4.150 2.155 203 2HA GLY 33 2HA GLY 33 -1.682 3.959 0.695 204 H VAL 34 H VAL 34 -2.718 1.870 2.559 205 HA VAL 34 HA VAL 34 -0.061 0.735 3.437 206 HB VAL 34 HB VAL 34 -1.438 -0.531 5.107 207 1HG1 VAL 34 1HG1 VAL 34 -0.387 1.695 5.614 208 2HG1 VAL 34 2HG1 VAL 34 -1.924 2.459 5.208 209 3HG1 VAL 34 3HG1 VAL 34 -1.824 1.355 6.579 210 1HG2 VAL 34 1HG2 VAL 34 -3.558 -0.174 3.561 211 2HG2 VAL 34 2HG2 VAL 34 -3.741 -0.262 5.312 212 3HG2 VAL 34 3HG2 VAL 34 -3.734 1.306 4.504 213 H CYS 35 H CYS 35 0.476 -1.316 2.658 214 HA CYS 35 HA CYS 35 -1.204 -2.372 0.473 215 1HB CYS 35 1HB CYS 35 1.431 -3.293 1.611 216 2HB CYS 35 2HB CYS 35 0.719 -3.841 0.111 217 H LYS 36 H LYS 36 -1.845 -4.554 0.374 218 HA LYS 36 HA LYS 36 -1.889 -6.158 2.878 219 1HB LYS 36 1HB LYS 36 -4.046 -4.597 1.716 220 2HB LYS 36 2HB LYS 36 -4.505 -6.270 1.990 221 1HG LYS 36 2HG LYS 36 -3.117 -4.611 4.102 222 2HG LYS 36 1HG LYS 36 -4.874 -4.631 3.938 223 1HD LYS 36 1HD LYS 36 -5.056 -6.834 4.618 224 2HD LYS 36 2HD LYS 36 -3.446 -7.258 4.035 225 1HE LYS 36 1HE LYS 36 -2.406 -6.047 5.891 226 2HE LYS 36 2HE LYS 36 -4.002 -5.512 6.460 227 1HZ LYS 36 1HZ LYS 36 -3.476 -7.489 7.658 228 2HZ LYS 36 2HZ LYS 36 -2.990 -8.313 6.241 229 3HZ LYS 36 3HZ LYS 36 -4.636 -7.925 6.499 230 H ASN 37 H ASN 37 -3.243 -8.301 2.300 231 HA ASN 37 HA ASN 37 -1.890 -9.758 0.277 232 1HB ASN 37 1HB ASN 37 -4.391 -10.048 1.900 233 2HB ASN 37 2HB ASN 37 -4.149 -11.171 0.563 234 1HD2 ASN 37 1HD2 ASN 37 -3.549 -10.849 3.827 235 2HD2 ASN 37 2HD2 ASN 37 -2.194 -11.860 3.955 236 H ARG 38 H ARG 38 -5.342 -8.769 0.103 237 HA ARG 38 HA ARG 38 -5.084 -7.762 -2.593 238 1HB ARG 38 1HB ARG 38 -5.327 -10.524 -2.261 239 2HB ARG 38 2HB ARG 38 -6.959 -9.993 -2.666 240 1HG ARG 38 1HG ARG 38 -4.777 -8.788 -4.271 241 2HG ARG 38 2HG ARG 38 -5.058 -10.506 -4.538 242 1HD ARG 38 1HD ARG 38 -6.533 -9.493 -6.081 243 2HD ARG 38 2HD ARG 38 -7.590 -9.786 -4.684 244 HE ARG 38 HE ARG 38 -7.144 -7.410 -3.975 245 1HH1 ARG 38 1HH1 ARG 38 -8.523 -7.643 -6.722 246 2HH1 ARG 38 2HH1 ARG 38 -7.698 -6.402 -7.599 247 1HH2 ARG 38 1HH2 ARG 38 -5.136 -6.119 -5.274 248 2HH2 ARG 38 2HH2 ARG 38 -5.782 -5.542 -6.778 Start of MODEL 6 1 HA ALA 1 HA ALA 1 12.582 -1.990 -5.582 2 1HB ALA 1 1HB ALA 1 10.666 -0.554 -4.614 3 2HB ALA 1 2HB ALA 1 11.182 -0.177 -6.257 4 3HB ALA 1 3HB ALA 1 9.711 -1.113 -5.989 5 H GLY 2 H GLY 2 11.867 -1.981 -3.140 6 1HA GLY 2 1HA GLY 2 11.362 -4.695 -2.331 7 2HA GLY 2 2HA GLY 2 11.409 -3.301 -1.252 8 H CYS 3 H CYS 3 9.413 -5.692 -2.325 9 HA CYS 3 HA CYS 3 6.941 -4.012 -2.160 10 1HB CYS 3 1HB CYS 3 5.898 -5.780 -3.404 11 2HB CYS 3 2HB CYS 3 7.477 -5.541 -4.148 12 H ILE 4 H ILE 4 5.387 -4.466 -0.577 13 HA ILE 4 HA ILE 4 6.215 -6.386 1.570 14 HB ILE 4 HB ILE 4 4.342 -3.991 1.590 15 1HG1 ILE 4 1HG1 ILE 4 6.717 -3.366 1.309 16 2HG1 ILE 4 2HG1 ILE 4 6.141 -2.916 2.913 17 1HG2 ILE 4 1HG2 ILE 4 3.579 -5.394 3.328 18 2HG2 ILE 4 2HG2 ILE 4 5.206 -5.966 3.700 19 3HG2 ILE 4 3HG2 ILE 4 4.725 -4.329 4.144 20 1HD1 ILE 4 1HD1 ILE 4 8.191 -4.885 2.140 21 2HD1 ILE 4 2HD1 ILE 4 7.978 -4.022 3.663 22 3HD1 ILE 4 3HD1 ILE 4 7.042 -5.480 3.340 23 H LYS 5 H LYS 5 4.931 -8.174 1.892 24 HA LYS 5 HA LYS 5 2.754 -8.771 0.120 25 1HB LYS 5 1HB LYS 5 4.426 -10.337 1.217 26 2HB LYS 5 2HB LYS 5 3.497 -10.151 2.704 27 1HG LYS 5 2HG LYS 5 2.433 -12.009 1.838 28 2HG LYS 5 1HG LYS 5 1.467 -10.748 1.066 29 1HD LYS 5 1HD LYS 5 3.174 -10.859 -0.862 30 2HD LYS 5 2HD LYS 5 3.724 -12.368 -0.131 31 1HE LYS 5 1HE LYS 5 2.090 -13.311 -1.438 32 2HE LYS 5 2HE LYS 5 0.995 -12.744 -0.158 33 1HZ LYS 5 1HZ LYS 5 0.302 -11.894 -2.325 34 2HZ LYS 5 2HZ LYS 5 1.822 -11.173 -2.554 35 3HZ LYS 5 3HZ LYS 5 0.783 -10.604 -1.308 36 H ASN 6 H ASN 6 2.864 -7.787 3.561 37 HA ASN 6 HA ASN 6 -0.012 -7.040 3.388 38 1HB ASN 6 1HB ASN 6 0.961 -9.478 4.447 39 2HB ASN 6 2HB ASN 6 0.501 -8.493 5.834 40 1HD2 ASN 6 1HD2 ASN 6 -0.782 -9.582 2.654 41 2HD2 ASN 6 2HD2 ASN 6 -2.405 -9.611 3.162 42 H GLY 7 H GLY 7 -0.383 -5.159 4.538 43 1HA GLY 7 1HA GLY 7 -0.132 -3.483 6.185 44 2HA GLY 7 2HA GLY 7 0.994 -4.543 7.029 45 H GLY 8 H GLY 8 1.377 -3.499 3.668 46 1HA GLY 8 1HA GLY 8 4.027 -2.394 4.367 47 2HA GLY 8 2HA GLY 8 3.399 -2.609 2.734 48 H ARG 9 H ARG 9 4.025 -0.439 2.187 49 HA ARG 9 HA ARG 9 2.096 1.620 3.162 50 1HB ARG 9 2HB ARG 9 4.528 1.483 4.219 51 2HB ARG 9 1HB ARG 9 4.992 2.289 2.722 52 1HG ARG 9 2HG ARG 9 4.541 4.013 4.352 53 2HG ARG 9 1HG ARG 9 3.208 4.018 3.199 54 1HD ARG 9 2HD ARG 9 2.382 4.160 5.547 55 2HD ARG 9 1HD ARG 9 1.847 2.657 4.771 56 HE ARG 9 HE ARG 9 4.432 2.392 6.129 57 1HH1 ARG 9 1HH2 ARG 9 2.043 0.436 5.740 58 2HH1 ARG 9 2HH2 ARG 9 1.600 0.201 7.402 59 1HH2 ARG 9 2HH1 ARG 9 3.441 2.888 8.547 60 2HH2 ARG 9 1HH1 ARG 9 2.395 1.585 8.991 61 H CYS 10 H CYS 10 1.113 2.452 1.358 62 HA CYS 10 HA CYS 10 2.729 3.032 -1.077 63 1HB CYS 10 1HB CYS 10 1.012 1.742 -2.424 64 2HB CYS 10 2HB CYS 10 2.020 0.739 -1.381 65 H ASN 11 H ASN 11 0.768 3.691 -2.832 66 HA ASN 11 HA ASN 11 -1.147 5.534 -1.456 67 1HB ASN 11 1HB ASN 11 1.264 6.182 -3.004 68 2HB ASN 11 2HB ASN 11 -0.176 6.965 -3.648 69 1HD2 ASN 11 1HD2 ASN 11 1.435 6.400 -0.471 70 2HD2 ASN 11 2HD2 ASN 11 1.007 7.916 0.172 71 H ALA 12 H ALA 12 -2.938 6.168 -2.899 72 HA ALA 12 HA ALA 12 -4.002 4.105 -4.539 73 1HB ALA 12 1HB ALA 12 -5.397 6.130 -5.414 74 2HB ALA 12 2HB ALA 12 -5.469 5.759 -3.691 75 3HB ALA 12 3HB ALA 12 -4.449 7.078 -4.267 76 H SER 13 H SER 13 -2.420 7.138 -5.559 77 HA SER 13 HA SER 13 -2.040 6.008 -8.297 78 1HB SER 13 1HB SER 13 -1.440 8.464 -8.730 79 2HB SER 13 2HB SER 13 -3.107 8.153 -8.247 80 HG SER 13 HG SER 13 -1.103 9.512 -6.942 81 H ALA 14 H ALA 14 -0.407 4.895 -6.267 82 HA ALA 14 HA ALA 14 2.180 6.288 -6.198 83 1HB ALA 14 1HB ALA 14 1.300 3.513 -5.338 84 2HB ALA 14 2HB ALA 14 2.804 4.303 -4.866 85 3HB ALA 14 3HB ALA 14 1.257 4.954 -4.325 86 H GLY 15 H GLY 15 3.781 6.022 -7.702 87 1HA GLY 15 1HA GLY 15 3.432 4.017 -9.844 88 2HA GLY 15 2HA GLY 15 4.651 5.294 -9.815 89 HA PRO 16 HA PRO 16 7.627 2.412 -8.519 90 1HB PRO 16 1HB PRO 16 9.224 3.913 -6.860 91 2HB PRO 16 2HB PRO 16 9.249 4.001 -8.632 92 1HG PRO 16 1HG PRO 16 7.915 5.796 -6.670 93 2HG PRO 16 2HG PRO 16 8.753 6.190 -8.176 94 1HD PRO 16 1HD PRO 16 6.048 6.107 -7.991 95 2HD PRO 16 2HD PRO 16 6.927 5.720 -9.485 96 HA PRO 17 HA PRO 17 6.839 2.117 -3.846 97 1HB PRO 17 1HB PRO 17 4.915 3.674 -2.689 98 2HB PRO 17 2HB PRO 17 6.606 4.189 -2.851 99 1HG PRO 17 1HG PRO 17 4.229 5.067 -4.336 100 2HG PRO 17 2HG PRO 17 5.752 5.908 -4.039 101 1HD PRO 17 1HD PRO 17 4.958 4.590 -6.413 102 2HD PRO 17 2HD PRO 17 6.544 5.286 -6.044 103 H TYR 18 H TYR 18 5.729 0.498 -5.561 104 HA TYR 18 HA TYR 18 2.794 0.306 -5.199 105 1HB TYR 18 1HB TYR 18 3.059 -1.558 -6.853 106 2HB TYR 18 2HB TYR 18 3.723 -0.029 -7.420 107 HD1 TYR 18 HD1 TYR 18 5.977 0.141 -8.065 108 HD2 TYR 18 HD2 TYR 18 4.672 -3.244 -5.766 109 HE1 TYR 18 HE1 TYR 18 8.185 -0.943 -8.407 110 HE2 TYR 18 HE2 TYR 18 6.881 -4.326 -6.105 111 HH TYR 18 HH TYR 18 8.756 -4.073 -8.052 112 H CYS 19 H CYS 19 1.848 -1.838 -4.565 113 HA CYS 19 HA CYS 19 3.244 -2.887 -2.178 114 1HB CYS 19 1HB CYS 19 0.498 -3.291 -3.381 115 2HB CYS 19 2HB CYS 19 1.006 -3.966 -1.840 116 H CYS 20 H CYS 20 3.042 -5.341 -1.818 117 HA CYS 20 HA CYS 20 4.167 -6.724 -4.190 118 1HB CYS 20 1HB CYS 20 4.951 -6.668 -1.662 119 2HB CYS 20 2HB CYS 20 3.793 -7.980 -1.503 120 H SER 21 H SER 21 1.409 -7.045 -1.965 121 HA SER 21 HA SER 21 0.415 -9.447 -3.351 122 1HB SER 21 1HB SER 21 -0.537 -7.671 -1.100 123 2HB SER 21 2HB SER 21 -1.491 -9.029 -1.686 124 HG SER 21 HG SER 21 0.343 -9.148 0.117 125 H SER 22 H SER 22 0.394 -6.212 -4.112 126 HA SER 22 HA SER 22 -0.698 -5.135 -5.912 127 1HB SER 22 1HB SER 22 -1.263 -7.561 -6.580 128 2HB SER 22 2HB SER 22 -2.818 -7.280 -5.800 129 HG SER 22 HG SER 22 -2.809 -5.278 -7.183 130 H TYR 23 H TYR 23 -1.907 -5.694 -2.768 131 HA TYR 23 HA TYR 23 -4.307 -3.957 -3.304 132 1HB TYR 23 1HB TYR 23 -4.436 -6.111 -1.945 133 2HB TYR 23 2HB TYR 23 -3.482 -5.272 -0.729 134 HD1 TYR 23 HD1 TYR 23 -6.714 -5.230 -2.540 135 HD2 TYR 23 HD2 TYR 23 -4.387 -3.572 0.663 136 HE1 TYR 23 HE1 TYR 23 -8.738 -4.109 -1.647 137 HE2 TYR 23 HE2 TYR 23 -6.409 -2.455 1.558 138 HH TYR 23 HH TYR 23 -9.605 -3.048 0.191 139 H CYS 24 H CYS 24 -4.588 -2.017 -2.136 140 HA CYS 24 HA CYS 24 -2.361 -1.000 -0.462 141 1HB CYS 24 1HB CYS 24 -1.762 -0.538 -2.829 142 2HB CYS 24 2HB CYS 24 -3.289 0.319 -3.039 143 H PHE 25 H PHE 25 -3.418 -0.131 1.284 144 HA PHE 25 HA PHE 25 -6.133 1.083 0.910 145 1HB PHE 25 1HB PHE 25 -5.288 -0.829 2.580 146 2HB PHE 25 2HB PHE 25 -4.841 0.559 3.550 147 HD1 PHE 25 HD1 PHE 25 -6.472 1.940 4.619 148 HD2 PHE 25 HD2 PHE 25 -7.696 -1.125 1.867 149 HE1 PHE 25 HE1 PHE 25 -8.829 2.248 5.324 150 HE2 PHE 25 HE2 PHE 25 -10.052 -0.819 2.575 151 HZ PHE 25 HZ PHE 25 -10.620 0.867 4.303 152 H GLN 26 H GLN 26 -5.493 3.222 0.228 153 HA GLN 26 HA GLN 26 -3.909 4.786 2.246 154 1HB GLN 26 1HB GLN 26 -2.796 4.410 0.069 155 2HB GLN 26 2HB GLN 26 -4.179 5.108 -0.751 156 1HG GLN 26 1HG GLN 26 -3.329 6.939 1.286 157 2HG GLN 26 2HG GLN 26 -1.919 6.468 0.341 158 1HE2 GLN 26 1HE2 GLN 26 -4.388 8.725 0.423 159 2HE2 GLN 26 2HE2 GLN 26 -4.431 9.122 -1.228 160 H ILE 27 H ILE 27 -4.759 6.804 2.877 161 HA ILE 27 HA ILE 27 -7.540 7.385 1.909 162 HB ILE 27 HB ILE 27 -7.125 8.727 4.335 163 1HG1 ILE 27 1HG1 ILE 27 -5.115 7.145 4.616 164 2HG1 ILE 27 2HG1 ILE 27 -6.300 7.147 5.915 165 1HG2 ILE 27 1HG2 ILE 27 -8.501 6.288 4.821 166 2HG2 ILE 27 2HG2 ILE 27 -9.186 7.884 4.521 167 3HG2 ILE 27 3HG2 ILE 27 -8.874 6.791 3.172 168 1HD1 ILE 27 1HD1 ILE 27 -7.368 5.199 4.390 169 2HD1 ILE 27 2HD1 ILE 27 -5.676 5.014 3.933 170 3HD1 ILE 27 3HD1 ILE 27 -6.151 4.876 5.624 171 H ALA 28 H ALA 28 -8.129 9.782 2.172 172 HA ALA 28 HA ALA 28 -6.034 11.398 0.849 173 1HB ALA 28 1HB ALA 28 -8.523 11.142 0.211 174 2HB ALA 28 2HB ALA 28 -8.855 12.195 1.587 175 3HB ALA 28 3HB ALA 28 -7.874 12.782 0.243 176 H GLY 29 H GLY 29 -5.401 13.495 1.665 177 1HA GLY 29 1HA GLY 29 -5.739 15.209 3.512 178 2HA GLY 29 2HA GLY 29 -5.776 13.834 4.618 179 H GLN 30 H GLN 30 -3.716 12.300 3.563 180 HA GLN 30 HA GLN 30 -1.295 14.062 3.745 181 1HB GLN 30 1HB GLN 30 -2.193 12.814 5.879 182 2HB GLN 30 2HB GLN 30 -1.461 11.397 5.129 183 1HG GLN 30 1HG GLN 30 0.356 13.653 4.999 184 2HG GLN 30 2HG GLN 30 -0.148 13.364 6.663 185 1HE2 GLN 30 1HE2 GLN 30 1.152 11.612 3.795 186 2HE2 GLN 30 2HE2 GLN 30 1.987 10.450 4.714 187 H SER 31 H SER 31 -2.881 11.623 1.990 188 HA SER 31 HA SER 31 -2.200 10.261 0.200 189 1HB SER 31 1HB SER 31 -0.787 12.545 0.008 190 2HB SER 31 2HB SER 31 0.546 11.425 0.277 191 HG SER 31 HG SER 31 -0.377 10.142 -1.469 192 H TYR 32 H TYR 32 -2.102 9.028 2.626 193 HA TYR 32 HA TYR 32 0.421 7.416 2.457 194 1HB TYR 32 1HB TYR 32 0.631 7.474 4.806 195 2HB TYR 32 2HB TYR 32 0.134 9.111 4.397 196 HD1 TYR 32 HD1 TYR 32 -2.264 9.797 4.706 197 HD2 TYR 32 HD2 TYR 32 -0.747 6.038 6.118 198 HE1 TYR 32 HE1 TYR 32 -4.227 9.571 6.212 199 HE2 TYR 32 HE2 TYR 32 -2.712 5.810 7.619 200 HH TYR 32 HH TYR 32 -4.412 7.822 8.731 201 H GLY 33 H GLY 33 0.071 5.227 2.243 202 1HA GLY 33 1HA GLY 33 -2.563 4.126 3.093 203 2HA GLY 33 2HA GLY 33 -2.039 3.873 1.434 204 H VAL 34 H VAL 34 -2.551 1.641 2.801 205 HA VAL 34 HA VAL 34 0.195 0.581 3.457 206 HB VAL 34 HB VAL 34 -0.919 -0.811 5.199 207 1HG1 VAL 34 1HG1 VAL 34 -1.889 1.884 5.925 208 2HG1 VAL 34 2HG1 VAL 34 -0.716 0.851 6.742 209 3HG1 VAL 34 3HG1 VAL 34 -0.220 1.830 5.360 210 1HG2 VAL 34 1HG2 VAL 34 -3.204 -0.702 5.654 211 2HG2 VAL 34 2HG2 VAL 34 -3.381 0.886 4.910 212 3HG2 VAL 34 3HG2 VAL 34 -3.204 -0.547 3.898 213 H CYS 35 H CYS 35 0.588 -1.585 2.746 214 HA CYS 35 HA CYS 35 -1.146 -2.440 0.515 215 1HB CYS 35 1HB CYS 35 1.403 -3.617 1.607 216 2HB CYS 35 2HB CYS 35 0.682 -3.957 0.048 217 H LYS 36 H LYS 36 -1.987 -4.501 0.320 218 HA LYS 36 HA LYS 36 -2.057 -6.336 2.650 219 1HB LYS 36 1HB LYS 36 -3.942 -4.391 2.480 220 2HB LYS 36 2HB LYS 36 -4.716 -5.654 1.518 221 1HG LYS 36 2HG LYS 36 -5.411 -6.465 3.525 222 2HG LYS 36 1HG LYS 36 -3.768 -7.099 3.648 223 1HD LYS 36 1HD LYS 36 -3.701 -4.357 4.439 224 2HD LYS 36 2HD LYS 36 -5.031 -5.129 5.299 225 1HE LYS 36 1HE LYS 36 -2.162 -6.141 5.217 226 2HE LYS 36 2HE LYS 36 -2.940 -5.342 6.596 227 1HZ LYS 36 1HZ LYS 36 -4.631 -7.401 5.665 228 2HZ LYS 36 2HZ LYS 36 -3.862 -7.272 7.174 229 3HZ LYS 36 3HZ LYS 36 -3.070 -8.057 5.877 230 H ASN 37 H ASN 37 -3.909 -8.133 1.865 231 HA ASN 37 HA ASN 37 -2.752 -9.646 -0.220 232 1HB ASN 37 1HB ASN 37 -5.571 -9.570 0.908 233 2HB ASN 37 2HB ASN 37 -4.950 -10.875 -0.102 234 1HD2 ASN 37 1HD2 ASN 37 -3.797 -12.514 0.958 235 2HD2 ASN 37 2HD2 ASN 37 -3.273 -12.422 2.569 236 H ARG 38 H ARG 38 -6.111 -8.519 -0.655 237 HA ARG 38 HA ARG 38 -5.610 -6.918 -2.979 238 1HB ARG 38 1HB ARG 38 -5.510 -9.762 -3.249 239 2HB ARG 38 2HB ARG 38 -6.950 -9.190 -4.089 240 1HG ARG 38 1HG ARG 38 -4.164 -8.051 -4.487 241 2HG ARG 38 2HG ARG 38 -4.920 -9.234 -5.553 242 1HD ARG 38 1HD ARG 38 -6.251 -6.584 -4.922 243 2HD ARG 38 2HD ARG 38 -5.139 -6.787 -6.295 244 HE ARG 38 HE ARG 38 -6.801 -8.924 -6.630 245 1HH1 ARG 38 1HH1 ARG 38 -8.626 -7.107 -4.888 246 2HH1 ARG 38 2HH1 ARG 38 -9.630 -6.437 -6.151 247 1HH2 ARG 38 1HH2 ARG 38 -7.504 -7.410 -8.701 248 2HH2 ARG 38 2HH2 ARG 38 -8.985 -6.608 -8.311 Start of MODEL 7 1 HA ALA 1 HA ALA 1 12.845 -4.219 -6.235 2 1HB ALA 1 1HB ALA 1 14.866 -3.450 -5.034 3 2HB ALA 1 2HB ALA 1 14.538 -2.402 -6.415 4 3HB ALA 1 3HB ALA 1 14.124 -1.870 -4.785 5 H GLY 2 H GLY 2 11.881 -5.615 -4.797 6 1HA GLY 2 1HA GLY 2 11.387 -6.468 -2.613 7 2HA GLY 2 2HA GLY 2 11.704 -4.865 -1.944 8 H CYS 3 H CYS 3 9.357 -6.524 -1.399 9 HA CYS 3 HA CYS 3 7.277 -4.520 -2.023 10 1HB CYS 3 1HB CYS 3 5.893 -6.032 -3.287 11 2HB CYS 3 2HB CYS 3 7.505 -6.133 -3.991 12 H ILE 4 H ILE 4 5.453 -4.720 -0.603 13 HA ILE 4 HA ILE 4 5.862 -6.650 1.655 14 HB ILE 4 HB ILE 4 4.260 -4.071 1.534 15 1HG1 ILE 4 1HG1 ILE 4 6.632 -3.963 3.182 16 2HG1 ILE 4 2HG1 ILE 4 7.078 -4.421 1.538 17 1HG2 ILE 4 1HG2 ILE 4 3.505 -5.522 3.321 18 2HG2 ILE 4 2HG2 ILE 4 5.165 -5.877 3.797 19 3HG2 ILE 4 3HG2 ILE 4 4.505 -4.262 4.046 20 1HD1 ILE 4 1HD1 ILE 4 5.151 -2.161 1.979 21 2HD1 ILE 4 2HD1 ILE 4 6.880 -1.877 2.157 22 3HD1 ILE 4 3HD1 ILE 4 6.233 -2.445 0.618 23 H LYS 5 H LYS 5 4.438 -8.332 1.702 24 HA LYS 5 HA LYS 5 2.201 -8.578 -0.063 25 1HB LYS 5 1HB LYS 5 3.507 -10.457 0.823 26 2HB LYS 5 2HB LYS 5 2.986 -10.062 2.462 27 1HG LYS 5 2HG LYS 5 0.729 -10.670 2.007 28 2HG LYS 5 1HG LYS 5 0.997 -10.663 0.264 29 1HD LYS 5 1HD LYS 5 0.919 -12.976 1.056 30 2HD LYS 5 2HD LYS 5 2.556 -12.591 0.525 31 1HE LYS 5 1HE LYS 5 2.795 -13.739 2.627 32 2HE LYS 5 2HE LYS 5 3.060 -12.020 2.987 33 1HZ LYS 5 1HZ LYS 5 0.976 -11.774 3.916 34 2HZ LYS 5 2HZ LYS 5 1.326 -13.389 4.364 35 3HZ LYS 5 3HZ LYS 5 0.313 -13.080 3.038 36 H ASN 6 H ASN 6 2.336 -8.017 3.486 37 HA ASN 6 HA ASN 6 -0.328 -6.688 3.296 38 1HB ASN 6 1HB ASN 6 -0.845 -8.094 5.458 39 2HB ASN 6 2HB ASN 6 -1.013 -8.854 3.879 40 1HD2 ASN 6 1HD2 ASN 6 1.671 -8.314 6.266 41 2HD2 ASN 6 2HD2 ASN 6 2.288 -9.890 6.120 42 H GLY 7 H GLY 7 -0.318 -4.808 4.443 43 1HA GLY 7 1HA GLY 7 0.075 -3.434 6.377 44 2HA GLY 7 2HA GLY 7 1.260 -4.605 6.948 45 H GLY 8 H GLY 8 1.423 -3.503 3.631 46 1HA GLY 8 1HA GLY 8 4.085 -2.357 4.170 47 2HA GLY 8 2HA GLY 8 3.351 -2.563 2.580 48 H ARG 9 H ARG 9 3.927 -0.382 2.010 49 HA ARG 9 HA ARG 9 2.057 1.655 3.146 50 1HB ARG 9 2HB ARG 9 4.483 1.576 4.086 51 2HB ARG 9 1HB ARG 9 4.936 2.268 2.525 52 1HG ARG 9 2HG ARG 9 4.450 4.267 3.498 53 2HG ARG 9 1HG ARG 9 2.769 3.814 3.207 54 1HD ARG 9 2HD ARG 9 4.185 2.896 5.705 55 2HD ARG 9 1HD ARG 9 3.424 4.497 5.624 56 HE ARG 9 HE ARG 9 1.409 2.922 4.663 57 1HH1 ARG 9 2HH1 ARG 9 1.445 3.938 7.503 58 2HH1 ARG 9 1HH1 ARG 9 1.248 2.471 8.396 59 1HH2 ARG 9 1HH2 ARG 9 2.057 0.443 5.701 60 2HH2 ARG 9 2HH2 ARG 9 1.608 0.486 7.379 61 H CYS 10 H CYS 10 1.052 2.756 1.464 62 HA CYS 10 HA CYS 10 2.525 3.219 -1.073 63 1HB CYS 10 1HB CYS 10 0.605 2.202 -2.354 64 2HB CYS 10 2HB CYS 10 1.541 1.042 -1.421 65 H ASN 11 H ASN 11 0.811 4.335 -2.662 66 HA ASN 11 HA ASN 11 -1.262 5.943 -1.391 67 1HB ASN 11 1HB ASN 11 -0.116 7.992 -1.240 68 2HB ASN 11 2HB ASN 11 1.106 6.837 -0.720 69 1HD2 ASN 11 1HD2 ASN 11 0.680 9.475 -2.713 70 2HD2 ASN 11 2HD2 ASN 11 1.913 9.157 -3.850 71 H ALA 12 H ALA 12 -1.522 8.011 -3.143 72 HA ALA 12 HA ALA 12 -2.257 6.667 -5.651 73 1HB ALA 12 1HB ALA 12 -3.758 8.379 -5.741 74 2HB ALA 12 2HB ALA 12 -3.239 8.738 -4.096 75 3HB ALA 12 3HB ALA 12 -2.515 9.595 -5.455 76 H SER 13 H SER 13 0.353 6.374 -5.747 77 HA SER 13 HA SER 13 1.282 8.381 -7.761 78 1HB SER 13 1HB SER 13 2.680 7.548 -5.205 79 2HB SER 13 2HB SER 13 3.525 8.332 -6.534 80 HG SER 13 HG SER 13 1.239 9.664 -5.942 81 H ALA 14 H ALA 14 2.289 7.346 -9.478 82 HA ALA 14 HA ALA 14 2.659 4.408 -9.301 83 1HB ALA 14 1HB ALA 14 2.345 4.486 -11.586 84 2HB ALA 14 2HB ALA 14 1.592 6.027 -11.174 85 3HB ALA 14 3HB ALA 14 3.254 5.988 -11.761 86 H GLY 15 H GLY 15 4.634 3.822 -8.429 87 1HA GLY 15 1HA GLY 15 7.064 4.125 -9.792 88 2HA GLY 15 2HA GLY 15 7.019 5.446 -8.627 89 HA PRO 16 HA PRO 16 8.936 2.281 -6.145 90 1HB PRO 16 1HB PRO 16 9.510 3.905 -4.010 91 2HB PRO 16 2HB PRO 16 10.505 3.787 -5.476 92 1HG PRO 16 1HG PRO 16 8.477 5.835 -4.726 93 2HG PRO 16 2HG PRO 16 10.046 6.036 -5.521 94 1HD PRO 16 1HD PRO 16 7.713 6.079 -6.890 95 2HD PRO 16 2HD PRO 16 9.228 5.470 -7.593 96 HA PRO 17 HA PRO 17 5.761 2.758 -2.582 97 1HB PRO 17 1HB PRO 17 3.521 4.242 -3.046 98 2HB PRO 17 2HB PRO 17 5.006 4.923 -2.351 99 1HG PRO 17 1HG PRO 17 3.941 5.126 -5.109 100 2HG PRO 17 2HG PRO 17 4.853 6.306 -4.158 101 1HD PRO 17 1HD PRO 17 5.906 4.717 -6.157 102 2HD PRO 17 2HD PRO 17 6.845 5.513 -4.881 103 H TYR 18 H TYR 18 5.794 0.767 -4.400 104 HA TYR 18 HA TYR 18 2.946 0.294 -5.205 105 1HB TYR 18 1HB TYR 18 3.911 -1.312 -6.810 106 2HB TYR 18 2HB TYR 18 4.651 0.276 -6.996 107 HD1 TYR 18 HD1 TYR 18 5.137 -3.157 -5.726 108 HD2 TYR 18 HD2 TYR 18 6.961 0.665 -6.419 109 HE1 TYR 18 HE1 TYR 18 7.376 -4.147 -5.319 110 HE2 TYR 18 HE2 TYR 18 9.198 -0.325 -6.012 111 HH TYR 18 HH TYR 18 9.607 -3.377 -4.583 112 H CYS 19 H CYS 19 1.908 -1.633 -4.551 113 HA CYS 19 HA CYS 19 3.031 -2.902 -2.127 114 1HB CYS 19 1HB CYS 19 0.367 -3.157 -3.555 115 2HB CYS 19 2HB CYS 19 0.729 -3.789 -1.955 116 H CYS 20 H CYS 20 2.680 -5.377 -1.967 117 HA CYS 20 HA CYS 20 3.942 -6.613 -4.345 118 1HB CYS 20 1HB CYS 20 4.567 -6.836 -1.823 119 2HB CYS 20 2HB CYS 20 3.260 -8.014 -1.779 120 H SER 21 H SER 21 1.063 -7.259 -2.316 121 HA SER 21 HA SER 21 0.168 -9.348 -4.193 122 1HB SER 21 1HB SER 21 -1.768 -8.648 -2.194 123 2HB SER 21 2HB SER 21 -0.786 -10.101 -2.306 124 HG SER 21 HG SER 21 -0.536 -7.947 -0.665 125 H SER 22 H SER 22 0.045 -6.138 -4.572 126 HA SER 22 HA SER 22 -1.204 -4.891 -6.158 127 1HB SER 22 1HB SER 22 -1.878 -7.095 -7.123 128 2HB SER 22 2HB SER 22 -3.206 -7.163 -5.971 129 HG SER 22 HG SER 22 -2.774 -5.301 -8.067 130 H TYR 23 H TYR 23 -2.151 -5.702 -2.963 131 HA TYR 23 HA TYR 23 -4.558 -3.924 -3.120 132 1HB TYR 23 1HB TYR 23 -4.397 -6.148 -1.817 133 2HB TYR 23 2HB TYR 23 -3.424 -5.232 -0.674 134 HD1 TYR 23 HD1 TYR 23 -6.773 -5.894 -1.859 135 HD2 TYR 23 HD2 TYR 23 -4.367 -3.177 0.425 136 HE1 TYR 23 HE1 TYR 23 -8.819 -4.965 -0.811 137 HE2 TYR 23 HE2 TYR 23 -6.407 -2.247 1.472 138 HH TYR 23 HH TYR 23 -9.608 -3.106 0.361 139 H CYS 24 H CYS 24 -4.678 -1.979 -2.040 140 HA CYS 24 HA CYS 24 -2.368 -0.966 -0.480 141 1HB CYS 24 1HB CYS 24 -1.723 -0.430 -2.743 142 2HB CYS 24 2HB CYS 24 -3.339 0.163 -3.124 143 H PHE 25 H PHE 25 -3.454 -0.268 1.326 144 HA PHE 25 HA PHE 25 -6.139 1.012 1.045 145 1HB PHE 25 1HB PHE 25 -5.251 -0.931 2.650 146 2HB PHE 25 2HB PHE 25 -4.765 0.433 3.635 147 HD1 PHE 25 HD1 PHE 25 -6.348 1.777 4.804 148 HD2 PHE 25 HD2 PHE 25 -7.687 -1.196 2.007 149 HE1 PHE 25 HE1 PHE 25 -8.674 2.065 5.610 150 HE2 PHE 25 HE2 PHE 25 -10.011 -0.908 2.811 151 HZ PHE 25 HZ PHE 25 -10.508 0.720 4.615 152 H GLN 26 H GLN 26 -5.292 3.087 0.234 153 HA GLN 26 HA GLN 26 -3.859 4.717 2.317 154 1HB GLN 26 1HB GLN 26 -2.489 4.347 0.371 155 2HB GLN 26 2HB GLN 26 -3.823 4.732 -0.708 156 1HG GLN 26 1HG GLN 26 -3.420 6.916 1.134 157 2HG GLN 26 2HG GLN 26 -1.891 6.515 0.363 158 1HE2 GLN 26 1HE2 GLN 26 -5.208 6.307 -1.047 159 2HE2 GLN 26 2HE2 GLN 26 -4.890 7.403 -2.303 160 H ILE 27 H ILE 27 -4.668 6.856 2.675 161 HA ILE 27 HA ILE 27 -7.443 7.301 1.624 162 HB ILE 27 HB ILE 27 -7.023 9.041 3.763 163 1HG1 ILE 27 1HG1 ILE 27 -5.833 6.318 4.402 164 2HG1 ILE 27 2HG1 ILE 27 -4.953 7.849 4.391 165 1HG2 ILE 27 1HG2 ILE 27 -8.196 6.280 4.050 166 2HG2 ILE 27 2HG2 ILE 27 -8.740 7.787 4.785 167 3HG2 ILE 27 3HG2 ILE 27 -8.980 7.511 3.060 168 1HD1 ILE 27 1HD1 ILE 27 -6.402 8.708 6.184 169 2HD1 ILE 27 2HD1 ILE 27 -7.309 7.196 6.187 170 3HD1 ILE 27 3HD1 ILE 27 -5.618 7.212 6.687 171 H ALA 28 H ALA 28 -8.057 9.637 1.339 172 HA ALA 28 HA ALA 28 -5.976 11.045 -0.210 173 1HB ALA 28 1HB ALA 28 -8.944 11.138 0.183 174 2HB ALA 28 2HB ALA 28 -8.151 12.574 -0.458 175 3HB ALA 28 3HB ALA 28 -8.020 11.039 -1.314 176 H GLY 29 H GLY 29 -4.821 12.749 0.580 177 1HA GLY 29 1HA GLY 29 -5.454 14.979 1.947 178 2HA GLY 29 2HA GLY 29 -5.448 13.811 3.271 179 H GLN 30 H GLN 30 -3.369 12.224 2.870 180 HA GLN 30 HA GLN 30 -0.998 14.046 2.582 181 1HB GLN 30 1HB GLN 30 -1.964 12.193 4.669 182 2HB GLN 30 2HB GLN 30 -0.241 12.065 4.314 183 1HG GLN 30 1HG GLN 30 0.196 14.028 5.342 184 2HG GLN 30 2HG GLN 30 -1.079 14.846 4.442 185 1HE2 GLN 30 1HE2 GLN 30 -1.465 15.958 6.616 186 2HE2 GLN 30 2HE2 GLN 30 -2.447 15.167 7.752 187 H SER 31 H SER 31 -2.518 11.407 1.163 188 HA SER 31 HA SER 31 -1.800 9.809 -0.408 189 1HB SER 31 1HB SER 31 -0.237 12.040 -0.736 190 2HB SER 31 2HB SER 31 0.984 10.805 -0.437 191 HG SER 31 HG SER 31 -0.772 11.124 -2.565 192 H TYR 32 H TYR 32 -1.886 8.836 2.087 193 HA TYR 32 HA TYR 32 0.549 7.110 2.231 194 1HB TYR 32 1HB TYR 32 0.742 7.504 4.602 195 2HB TYR 32 2HB TYR 32 0.639 9.077 3.818 196 HD1 TYR 32 HD1 TYR 32 -1.554 10.312 3.802 197 HD2 TYR 32 HD2 TYR 32 -0.923 6.770 6.141 198 HE1 TYR 32 HE1 TYR 32 -3.527 10.882 5.197 199 HE2 TYR 32 HE2 TYR 32 -2.899 7.339 7.534 200 HH TYR 32 HH TYR 32 -4.253 10.302 7.666 201 H GLY 33 H GLY 33 0.080 4.961 2.681 202 1HA GLY 33 1HA GLY 33 -2.463 4.189 3.926 203 2HA GLY 33 2HA GLY 33 -2.352 3.783 2.217 204 H VAL 34 H VAL 34 -2.602 1.548 3.140 205 HA VAL 34 HA VAL 34 0.111 0.432 3.801 206 HB VAL 34 HB VAL 34 -0.942 -1.026 5.451 207 1HG1 VAL 34 1HG1 VAL 34 -1.712 0.630 7.080 208 2HG1 VAL 34 2HG1 VAL 34 -0.343 1.274 6.176 209 3HG1 VAL 34 3HG1 VAL 34 -1.979 1.804 5.792 210 1HG2 VAL 34 1HG2 VAL 34 -3.286 -1.098 5.863 211 2HG2 VAL 34 2HG2 VAL 34 -3.579 0.344 4.894 212 3HG2 VAL 34 3HG2 VAL 34 -3.132 -1.170 4.108 213 H CYS 35 H CYS 35 0.571 -1.557 2.758 214 HA CYS 35 HA CYS 35 -1.245 -2.272 0.536 215 1HB CYS 35 1HB CYS 35 1.449 -3.329 1.387 216 2HB CYS 35 2HB CYS 35 0.643 -3.709 -0.118 217 H LYS 36 H LYS 36 -1.933 -4.434 0.184 218 HA LYS 36 HA LYS 36 -1.886 -6.362 2.438 219 1HB LYS 36 1HB LYS 36 -4.034 -4.559 1.710 220 2HB LYS 36 2HB LYS 36 -4.564 -6.231 1.774 221 1HG LYS 36 2HG LYS 36 -3.031 -4.806 3.974 222 2HG LYS 36 1HG LYS 36 -4.777 -5.050 3.974 223 1HD LYS 36 1HD LYS 36 -2.745 -7.300 3.835 224 2HD LYS 36 2HD LYS 36 -3.534 -6.769 5.320 225 1HE LYS 36 1HE LYS 36 -5.277 -7.426 2.974 226 2HE LYS 36 2HE LYS 36 -4.549 -8.767 3.882 227 1HZ LYS 36 1HZ LYS 36 -5.534 -8.080 5.861 228 2HZ LYS 36 2HZ LYS 36 -6.770 -7.787 4.729 229 3HZ LYS 36 3HZ LYS 36 -5.818 -6.500 5.305 230 H ASN 37 H ASN 37 -3.762 -8.141 1.585 231 HA ASN 37 HA ASN 37 -2.511 -9.495 -0.622 232 1HB ASN 37 1HB ASN 37 -5.168 -9.888 0.795 233 2HB ASN 37 2HB ASN 37 -4.412 -11.076 -0.268 234 1HD2 ASN 37 1HD2 ASN 37 -2.823 -12.430 0.659 235 2HD2 ASN 37 2HD2 ASN 37 -2.224 -12.240 2.234 236 H ARG 38 H ARG 38 -6.038 -9.138 -0.759 237 HA ARG 38 HA ARG 38 -5.859 -7.472 -3.157 238 1HB ARG 38 1HB ARG 38 -5.462 -9.980 -3.639 239 2HB ARG 38 2HB ARG 38 -7.181 -10.172 -3.295 240 1HG ARG 38 1HG ARG 38 -7.135 -9.851 -5.627 241 2HG ARG 38 2HG ARG 38 -7.521 -8.248 -5.007 242 1HD ARG 38 1HD ARG 38 -4.646 -9.058 -5.485 243 2HD ARG 38 2HD ARG 38 -5.646 -8.408 -6.801 244 HE ARG 38 HE ARG 38 -4.694 -6.899 -4.470 245 1HH1 ARG 38 1HH1 ARG 38 -7.568 -6.387 -4.327 246 2HH1 ARG 38 2HH1 ARG 38 -7.788 -5.084 -5.455 247 1HH2 ARG 38 1HH2 ARG 38 -4.714 -5.563 -7.014 248 2HH2 ARG 38 2HH2 ARG 38 -6.177 -4.618 -6.972 Start of MODEL 8 1 HA ALA 1 HA ALA 1 12.257 -5.435 -5.872 2 1HB ALA 1 1HB ALA 1 9.689 -3.976 -6.448 3 2HB ALA 1 2HB ALA 1 10.766 -3.372 -5.191 4 3HB ALA 1 3HB ALA 1 11.341 -3.513 -6.850 5 H GLY 2 H GLY 2 12.059 -4.727 -3.492 6 1HA GLY 2 1HA GLY 2 10.881 -6.852 -1.935 7 2HA GLY 2 2HA GLY 2 11.632 -5.400 -1.275 8 H CYS 3 H CYS 3 8.735 -7.017 -1.545 9 HA CYS 3 HA CYS 3 7.176 -4.500 -1.032 10 1HB CYS 3 1HB CYS 3 5.275 -5.727 -2.131 11 2HB CYS 3 2HB CYS 3 6.624 -5.420 -3.220 12 H ILE 4 H ILE 4 5.178 -4.946 0.308 13 HA ILE 4 HA ILE 4 5.776 -7.005 2.401 14 HB ILE 4 HB ILE 4 4.113 -4.461 2.402 15 1HG1 ILE 4 1HG1 ILE 4 6.532 -4.040 2.342 16 2HG1 ILE 4 2HG1 ILE 4 5.895 -3.650 3.939 17 1HG2 ILE 4 1HG2 ILE 4 3.434 -6.455 3.949 18 2HG2 ILE 4 2HG2 ILE 4 4.891 -6.037 4.844 19 3HG2 ILE 4 3HG2 ILE 4 3.602 -4.853 4.659 20 1HD1 ILE 4 1HD1 ILE 4 6.508 -6.189 4.429 21 2HD1 ILE 4 2HD1 ILE 4 7.639 -5.932 3.101 22 3HD1 ILE 4 3HD1 ILE 4 7.732 -4.924 4.545 23 H LYS 5 H LYS 5 4.449 -8.789 2.413 24 HA LYS 5 HA LYS 5 2.305 -9.273 0.656 25 1HB LYS 5 1HB LYS 5 3.560 -10.985 1.900 26 2HB LYS 5 2HB LYS 5 2.879 -10.396 3.417 27 1HG LYS 5 2HG LYS 5 0.571 -10.862 2.340 28 2HG LYS 5 1HG LYS 5 1.467 -11.813 1.154 29 1HD LYS 5 1HD LYS 5 2.356 -13.260 2.867 30 2HD LYS 5 2HD LYS 5 1.735 -12.219 4.146 31 1HE LYS 5 1HE LYS 5 -0.084 -13.576 2.130 32 2HE LYS 5 2HE LYS 5 0.341 -14.308 3.690 33 1HZ LYS 5 1HZ LYS 5 -1.353 -12.006 3.119 34 2HZ LYS 5 2HZ LYS 5 -0.254 -11.778 4.427 35 3HZ LYS 5 3HZ LYS 5 -1.371 -13.074 4.453 36 H ASN 6 H ASN 6 2.178 -8.131 4.045 37 HA ASN 6 HA ASN 6 -0.444 -6.874 3.495 38 1HB ASN 6 1HB ASN 6 -1.175 -8.059 5.745 39 2HB ASN 6 2HB ASN 6 -1.284 -8.922 4.216 40 1HD2 ASN 6 1HD2 ASN 6 1.405 -8.304 6.577 41 2HD2 ASN 6 2HD2 ASN 6 1.883 -9.933 6.645 42 H GLY 7 H GLY 7 -0.450 -4.873 4.447 43 1HA GLY 7 1HA GLY 7 -0.193 -3.354 6.304 44 2HA GLY 7 2HA GLY 7 0.911 -4.499 7.063 45 H GLY 8 H GLY 8 1.205 -3.457 3.695 46 1HA GLY 8 1HA GLY 8 3.931 -2.486 4.293 47 2HA GLY 8 2HA GLY 8 3.229 -2.661 2.684 48 H ARG 9 H ARG 9 3.988 -0.469 2.203 49 HA ARG 9 HA ARG 9 2.130 1.621 3.276 50 1HB ARG 9 2HB ARG 9 4.781 1.286 4.000 51 2HB ARG 9 1HB ARG 9 4.888 2.476 2.704 52 1HG ARG 9 2HG ARG 9 4.439 3.966 4.371 53 2HG ARG 9 1HG ARG 9 2.768 3.463 4.107 54 1HD ARG 9 2HD ARG 9 3.052 1.704 5.865 55 2HD ARG 9 1HD ARG 9 4.685 2.327 6.181 56 HE ARG 9 HE ARG 9 3.595 4.545 6.700 57 1HH1 ARG 9 1HH2 ARG 9 0.928 3.320 5.600 58 2HH1 ARG 9 2HH2 ARG 9 0.040 3.218 7.083 59 1HH2 ARG 9 2HH1 ARG 9 2.824 3.681 9.076 60 2HH2 ARG 9 1HH1 ARG 9 1.114 3.419 9.053 61 H CYS 10 H CYS 10 1.110 2.566 1.525 62 HA CYS 10 HA CYS 10 2.700 3.165 -0.916 63 1HB CYS 10 1HB CYS 10 0.909 2.052 -2.313 64 2HB CYS 10 2HB CYS 10 1.897 0.949 -1.366 65 H ASN 11 H ASN 11 1.169 4.280 -2.577 66 HA ASN 11 HA ASN 11 -1.193 5.658 -1.579 67 1HB ASN 11 1HB ASN 11 -0.276 7.682 -0.933 68 2HB ASN 11 2HB ASN 11 1.072 6.630 -0.519 69 1HD2 ASN 11 1HD2 ASN 11 2.788 6.398 -2.325 70 2HD2 ASN 11 2HD2 ASN 11 3.085 7.761 -3.293 71 H ALA 12 H ALA 12 -1.810 7.487 -3.201 72 HA ALA 12 HA ALA 12 -1.949 6.475 -5.849 73 1HB ALA 12 1HB ALA 12 -2.592 8.921 -6.320 74 2HB ALA 12 2HB ALA 12 -3.522 8.085 -5.078 75 3HB ALA 12 3HB ALA 12 -2.250 9.215 -4.616 76 H SER 13 H SER 13 0.272 8.956 -4.541 77 HA SER 13 HA SER 13 1.707 9.131 -7.131 78 1HB SER 13 1HB SER 13 1.168 10.839 -5.001 79 2HB SER 13 2HB SER 13 2.871 10.448 -4.775 80 HG SER 13 HG SER 13 3.348 11.394 -6.645 81 H ALA 14 H ALA 14 2.434 6.837 -7.094 82 HA ALA 14 HA ALA 14 4.810 6.448 -5.300 83 1HB ALA 14 1HB ALA 14 4.070 4.246 -4.854 84 2HB ALA 14 2HB ALA 14 2.583 5.191 -4.824 85 3HB ALA 14 3HB ALA 14 2.990 4.231 -6.245 86 H GLY 15 H GLY 15 3.403 4.596 -8.050 87 1HA GLY 15 1HA GLY 15 4.346 4.406 -10.259 88 2HA GLY 15 2HA GLY 15 5.815 5.183 -9.676 89 HA PRO 16 HA PRO 16 7.479 1.110 -9.776 90 1HB PRO 16 1HB PRO 16 9.847 1.639 -8.490 91 2HB PRO 16 2HB PRO 16 9.528 2.003 -10.198 92 1HG PRO 16 1HG PRO 16 9.428 3.808 -7.832 93 2HG PRO 16 2HG PRO 16 10.047 4.115 -9.460 94 1HD PRO 16 1HD PRO 16 7.628 5.004 -8.645 95 2HD PRO 16 2HD PRO 16 7.959 4.540 -10.327 96 HA PRO 17 HA PRO 17 7.775 0.463 -5.039 97 1HB PRO 17 1HB PRO 17 6.581 2.303 -3.407 98 2HB PRO 17 2HB PRO 17 8.288 2.403 -3.886 99 1HG PRO 17 1HG PRO 17 5.950 3.921 -4.893 100 2HG PRO 17 2HG PRO 17 7.629 4.436 -4.680 101 1HD PRO 17 1HD PRO 17 6.479 3.743 -7.090 102 2HD PRO 17 2HD PRO 17 8.219 3.751 -6.756 103 H TYR 18 H TYR 18 6.077 -0.875 -6.262 104 HA TYR 18 HA TYR 18 3.255 -0.220 -5.644 105 1HB TYR 18 1HB TYR 18 2.904 -2.381 -6.990 106 2HB TYR 18 2HB TYR 18 3.633 -1.029 -7.845 107 HD1 TYR 18 HD1 TYR 18 4.633 -4.006 -5.793 108 HD2 TYR 18 HD2 TYR 18 5.574 -1.400 -9.067 109 HE1 TYR 18 HE1 TYR 18 6.589 -5.424 -6.352 110 HE2 TYR 18 HE2 TYR 18 7.537 -2.816 -9.629 111 HH TYR 18 HH TYR 18 8.203 -5.269 -9.253 112 H CYS 19 H CYS 19 1.877 -2.211 -4.852 113 HA CYS 19 HA CYS 19 2.921 -2.969 -2.236 114 1HB CYS 19 1HB CYS 19 0.382 -3.587 -3.774 115 2HB CYS 19 2HB CYS 19 0.645 -4.069 -2.100 116 H CYS 20 H CYS 20 2.371 -5.494 -1.635 117 HA CYS 20 HA CYS 20 4.273 -7.002 -3.309 118 1HB CYS 20 1HB CYS 20 3.905 -6.751 -0.693 119 2HB CYS 20 2HB CYS 20 2.857 -8.137 -0.952 120 H SER 21 H SER 21 0.810 -7.274 -2.460 121 HA SER 21 HA SER 21 0.662 -9.628 -4.322 122 1HB SER 21 1HB SER 21 -0.054 -10.115 -2.073 123 2HB SER 21 2HB SER 21 -1.050 -8.663 -2.015 124 HG SER 21 HG SER 21 -2.563 -9.646 -3.152 125 H SER 22 H SER 22 -1.828 -7.283 -3.289 126 HA SER 22 HA SER 22 -2.011 -6.000 -5.863 127 1HB SER 22 1HB SER 22 -2.821 -8.292 -6.374 128 2HB SER 22 2HB SER 22 -4.083 -8.098 -5.159 129 HG SER 22 HG SER 22 -3.706 -6.623 -7.569 130 H TYR 23 H TYR 23 -2.246 -5.426 -2.812 131 HA TYR 23 HA TYR 23 -4.730 -3.787 -3.080 132 1HB TYR 23 1HB TYR 23 -4.823 -5.969 -1.705 133 2HB TYR 23 2HB TYR 23 -3.851 -5.085 -0.535 134 HD1 TYR 23 HD1 TYR 23 -6.501 -3.693 -2.761 135 HD2 TYR 23 HD2 TYR 23 -5.389 -4.728 1.250 136 HE1 TYR 23 HE1 TYR 23 -8.513 -2.540 -1.898 137 HE2 TYR 23 HE2 TYR 23 -7.396 -3.581 2.109 138 HH TYR 23 HH TYR 23 -9.960 -2.912 0.476 139 H CYS 24 H CYS 24 -4.718 -1.843 -1.991 140 HA CYS 24 HA CYS 24 -2.355 -0.979 -0.424 141 1HB CYS 24 1HB CYS 24 -1.733 -0.526 -2.750 142 2HB CYS 24 2HB CYS 24 -3.284 0.260 -3.044 143 H PHE 25 H PHE 25 -3.568 -0.375 1.377 144 HA PHE 25 HA PHE 25 -6.168 1.019 1.039 145 1HB PHE 25 1HB PHE 25 -5.275 -0.874 2.717 146 2HB PHE 25 2HB PHE 25 -4.828 0.532 3.658 147 HD1 PHE 25 HD1 PHE 25 -6.444 1.835 4.815 148 HD2 PHE 25 HD2 PHE 25 -7.699 -1.132 1.975 149 HE1 PHE 25 HE1 PHE 25 -8.792 2.114 5.563 150 HE2 PHE 25 HE2 PHE 25 -10.045 -0.853 2.719 151 HZ PHE 25 HZ PHE 25 -10.594 0.768 4.514 152 H GLN 26 H GLN 26 -5.425 3.100 0.232 153 HA GLN 26 HA GLN 26 -3.884 4.733 2.231 154 1HB GLN 26 1HB GLN 26 -2.630 4.331 0.208 155 2HB GLN 26 2HB GLN 26 -4.012 4.760 -0.791 156 1HG GLN 26 1HG GLN 26 -3.498 6.931 1.008 157 2HG GLN 26 2HG GLN 26 -1.982 6.481 0.238 158 1HE2 GLN 26 1HE2 GLN 26 -5.415 6.702 -0.902 159 2HE2 GLN 26 2HE2 GLN 26 -5.033 7.604 -2.285 160 H ILE 27 H ILE 27 -4.697 6.840 2.673 161 HA ILE 27 HA ILE 27 -7.477 7.345 1.660 162 HB ILE 27 HB ILE 27 -7.115 8.884 3.952 163 1HG1 ILE 27 1HG1 ILE 27 -5.884 6.137 4.357 164 2HG1 ILE 27 2HG1 ILE 27 -5.047 7.681 4.527 165 1HG2 ILE 27 1HG2 ILE 27 -8.239 6.185 4.355 166 2HG2 ILE 27 2HG2 ILE 27 -8.987 7.763 4.591 167 3HG2 ILE 27 3HG2 ILE 27 -8.900 7.064 2.977 168 1HD1 ILE 27 1HD1 ILE 27 -6.816 6.304 6.415 169 2HD1 ILE 27 2HD1 ILE 27 -5.647 7.587 6.711 170 3HD1 ILE 27 3HD1 ILE 27 -7.272 7.987 6.160 171 H ALA 28 H ALA 28 -8.090 9.684 1.554 172 HA ALA 28 HA ALA 28 -6.010 11.202 0.132 173 1HB ALA 28 1HB ALA 28 -8.752 10.846 -0.045 174 2HB ALA 28 2HB ALA 28 -8.614 12.468 0.626 175 3HB ALA 28 3HB ALA 28 -7.832 12.078 -0.904 176 H GLY 29 H GLY 29 -5.116 13.154 0.805 177 1HA GLY 29 1HA GLY 29 -5.632 15.132 2.472 178 2HA GLY 29 2HA GLY 29 -5.455 13.856 3.680 179 H GLN 30 H GLN 30 -3.376 12.399 2.849 180 HA GLN 30 HA GLN 30 -1.106 14.321 2.428 181 1HB GLN 30 1HB GLN 30 -1.620 13.541 4.833 182 2HB GLN 30 2HB GLN 30 -1.042 11.958 4.310 183 1HG GLN 30 1HG GLN 30 0.922 13.657 3.363 184 2HG GLN 30 2HG GLN 30 0.480 14.399 4.899 185 1HE2 GLN 30 1HE2 GLN 30 2.274 13.717 6.181 186 2HE2 GLN 30 2HE2 GLN 30 2.657 12.086 6.452 187 H SER 31 H SER 31 -2.627 11.515 1.295 188 HA SER 31 HA SER 31 -2.005 9.988 -0.387 189 1HB SER 31 1HB SER 31 -0.462 12.205 -0.823 190 2HB SER 31 2HB SER 31 0.778 10.979 -0.569 191 HG SER 31 HG SER 31 0.177 9.976 -2.358 192 H TYR 32 H TYR 32 -2.027 8.866 1.964 193 HA TYR 32 HA TYR 32 0.438 7.190 2.033 194 1HB TYR 32 1HB TYR 32 0.713 7.546 4.407 195 2HB TYR 32 2HB TYR 32 0.594 9.129 3.643 196 HD1 TYR 32 HD1 TYR 32 -0.888 6.827 6.012 197 HD2 TYR 32 HD2 TYR 32 -1.616 10.356 3.682 198 HE1 TYR 32 HE1 TYR 32 -2.824 7.386 7.465 199 HE2 TYR 32 HE2 TYR 32 -3.551 10.917 5.133 200 HH TYR 32 HH TYR 32 -5.155 9.624 6.630 201 H GLY 33 H GLY 33 0.048 5.042 2.725 202 1HA GLY 33 1HA GLY 33 -2.442 4.238 3.996 203 2HA GLY 33 2HA GLY 33 -2.423 3.841 2.281 204 H VAL 34 H VAL 34 -2.506 1.562 2.919 205 HA VAL 34 HA VAL 34 0.238 0.518 3.529 206 HB VAL 34 HB VAL 34 -0.755 -1.049 5.177 207 1HG1 VAL 34 1HG1 VAL 34 -1.032 0.531 6.949 208 2HG1 VAL 34 2HG1 VAL 34 0.099 1.259 5.810 209 3HG1 VAL 34 3HG1 VAL 34 -1.585 1.782 5.837 210 1HG2 VAL 34 1HG2 VAL 34 -2.980 -1.419 4.748 211 2HG2 VAL 34 2HG2 VAL 34 -3.178 -0.107 5.907 212 3HG2 VAL 34 3HG2 VAL 34 -3.252 0.225 4.180 213 H CYS 35 H CYS 35 0.685 -1.498 2.524 214 HA CYS 35 HA CYS 35 -1.199 -2.287 0.387 215 1HB CYS 35 1HB CYS 35 1.572 -3.198 1.151 216 2HB CYS 35 2HB CYS 35 0.700 -3.766 -0.255 217 H LYS 36 H LYS 36 -1.789 -4.475 0.078 218 HA LYS 36 HA LYS 36 -1.649 -6.374 2.368 219 1HB LYS 36 1HB LYS 36 -3.745 -4.545 1.928 220 2HB LYS 36 2HB LYS 36 -4.370 -6.135 1.482 221 1HG LYS 36 2HG LYS 36 -2.760 -6.065 3.965 222 2HG LYS 36 1HG LYS 36 -4.292 -5.189 4.043 223 1HD LYS 36 1HD LYS 36 -5.545 -7.085 3.825 224 2HD LYS 36 2HD LYS 36 -4.384 -7.857 2.751 225 1HE LYS 36 1HE LYS 36 -3.166 -8.764 4.487 226 2HE LYS 36 2HE LYS 36 -3.539 -7.417 5.584 227 1HZ LYS 36 1HZ LYS 36 -5.894 -8.187 5.545 228 2HZ LYS 36 2HZ LYS 36 -4.835 -9.294 6.276 229 3HZ LYS 36 3HZ LYS 36 -5.399 -9.569 4.697 230 H ASN 37 H ASN 37 -3.066 -8.419 1.658 231 HA ASN 37 HA ASN 37 -1.977 -9.484 -0.766 232 1HB ASN 37 1HB ASN 37 -4.017 -10.234 1.280 233 2HB ASN 37 2HB ASN 37 -4.049 -11.118 -0.244 234 1HD2 ASN 37 1HD2 ASN 37 -1.743 -11.925 -0.958 235 2HD2 ASN 37 2HD2 ASN 37 -0.754 -12.529 0.279 236 H ARG 38 H ARG 38 -5.418 -8.744 -0.074 237 HA ARG 38 HA ARG 38 -5.737 -7.783 -2.845 238 1HB ARG 38 1HB ARG 38 -6.400 -10.314 -2.111 239 2HB ARG 38 2HB ARG 38 -7.901 -9.474 -1.724 240 1HG ARG 38 1HG ARG 38 -6.565 -9.011 -4.381 241 2HG ARG 38 2HG ARG 38 -7.570 -10.438 -4.139 242 1HD ARG 38 1HD ARG 38 -9.505 -9.223 -4.139 243 2HD ARG 38 2HD ARG 38 -8.795 -7.922 -3.167 244 HE ARG 38 HE ARG 38 -9.115 -7.688 -5.923 245 1HH1 ARG 38 1HH1 ARG 38 -7.322 -6.179 -3.718 246 2HH1 ARG 38 2HH1 ARG 38 -5.926 -5.879 -4.726 247 1HH2 ARG 38 1HH2 ARG 38 -6.950 -8.065 -7.203 248 2HH2 ARG 38 2HH2 ARG 38 -5.679 -6.994 -6.674 Start of MODEL 9 1 HA ALA 1 HA ALA 1 13.044 -4.414 -4.892 2 1HB ALA 1 1HB ALA 1 15.244 -4.204 -4.247 3 2HB ALA 1 2HB ALA 1 14.893 -2.483 -4.396 4 3HB ALA 1 3HB ALA 1 14.837 -3.262 -2.814 5 H GLY 2 H GLY 2 11.565 -5.705 -3.803 6 1HA GLY 2 1HA GLY 2 10.943 -6.979 -1.862 7 2HA GLY 2 2HA GLY 2 11.715 -5.762 -0.845 8 H CYS 3 H CYS 3 9.132 -6.711 -0.264 9 HA CYS 3 HA CYS 3 7.622 -4.194 -0.263 10 1HB CYS 3 1HB CYS 3 5.656 -5.327 -1.432 11 2HB CYS 3 2HB CYS 3 7.035 -4.953 -2.460 12 H ILE 4 H ILE 4 5.348 -4.666 0.803 13 HA ILE 4 HA ILE 4 5.755 -6.721 2.957 14 HB ILE 4 HB ILE 4 4.321 -4.046 2.935 15 1HG1 ILE 4 1HG1 ILE 4 6.802 -3.923 3.005 16 2HG1 ILE 4 2HG1 ILE 4 6.079 -3.375 4.514 17 1HG2 ILE 4 1HG2 ILE 4 3.069 -5.091 4.543 18 2HG2 ILE 4 2HG2 ILE 4 4.288 -6.330 4.835 19 3HG2 ILE 4 3HG2 ILE 4 4.472 -4.728 5.547 20 1HD1 ILE 4 1HD1 ILE 4 7.379 -4.866 5.587 21 2HD1 ILE 4 2HD1 ILE 4 6.421 -6.144 4.839 22 3HD1 ILE 4 3HD1 ILE 4 7.902 -5.583 4.064 23 H LYS 5 H LYS 5 4.365 -8.415 2.766 24 HA LYS 5 HA LYS 5 2.164 -8.553 0.971 25 1HB LYS 5 1HB LYS 5 3.529 -10.432 1.885 26 2HB LYS 5 2HB LYS 5 2.762 -10.186 3.454 27 1HG LYS 5 2HG LYS 5 0.703 -10.358 1.464 28 2HG LYS 5 1HG LYS 5 1.798 -11.727 1.251 29 1HD LYS 5 1HD LYS 5 0.552 -10.912 3.896 30 2HD LYS 5 2HD LYS 5 -0.046 -12.211 2.869 31 1HE LYS 5 1HE LYS 5 1.551 -13.654 3.604 32 2HE LYS 5 2HE LYS 5 2.836 -12.445 3.398 33 1HZ LYS 5 1HZ LYS 5 2.699 -12.661 5.697 34 2HZ LYS 5 2HZ LYS 5 1.011 -12.829 5.694 35 3HZ LYS 5 3HZ LYS 5 1.715 -11.295 5.414 36 H ASN 6 H ASN 6 2.335 -7.580 4.369 37 HA ASN 6 HA ASN 6 -0.522 -6.755 4.224 38 1HB ASN 6 1HB ASN 6 -0.704 -7.849 6.586 39 2HB ASN 6 2HB ASN 6 -0.756 -8.902 5.176 40 1HD2 ASN 6 1HD2 ASN 6 1.461 -7.711 7.735 41 2HD2 ASN 6 2HD2 ASN 6 2.521 -9.033 7.634 42 H GLY 7 H GLY 7 -0.592 -4.656 4.907 43 1HA GLY 7 1HA GLY 7 -0.308 -2.874 6.476 44 2HA GLY 7 2HA GLY 7 0.864 -3.858 7.346 45 H GLY 8 H GLY 8 1.209 -3.444 3.882 46 1HA GLY 8 1HA GLY 8 3.853 -2.283 4.239 47 2HA GLY 8 2HA GLY 8 3.044 -2.539 2.693 48 H ARG 9 H ARG 9 3.886 -0.344 2.140 49 HA ARG 9 HA ARG 9 2.011 1.761 3.132 50 1HB ARG 9 2HB ARG 9 4.334 1.697 4.232 51 2HB ARG 9 1HB ARG 9 4.971 2.181 2.659 52 1HG ARG 9 2HG ARG 9 4.582 4.307 3.342 53 2HG ARG 9 1HG ARG 9 2.882 3.955 3.029 54 1HD ARG 9 2HD ARG 9 2.975 2.927 5.479 55 2HD ARG 9 1HD ARG 9 4.344 4.046 5.648 56 HE ARG 9 HE ARG 9 2.630 5.760 4.591 57 1HH1 ARG 9 2HH1 ARG 9 0.473 3.609 4.957 58 2HH1 ARG 9 1HH1 ARG 9 -0.276 4.170 6.421 59 1HH2 ARG 9 1HH2 ARG 9 2.334 6.286 7.240 60 2HH2 ARG 9 2HH2 ARG 9 0.782 5.690 7.713 61 H CYS 10 H CYS 10 1.013 2.698 1.386 62 HA CYS 10 HA CYS 10 2.582 3.200 -1.094 63 1HB CYS 10 1HB CYS 10 0.738 2.094 -2.429 64 2HB CYS 10 2HB CYS 10 1.704 0.985 -1.463 65 H ASN 11 H ASN 11 0.938 4.242 -2.766 66 HA ASN 11 HA ASN 11 -1.230 5.814 -1.564 67 1HB ASN 11 1HB ASN 11 -0.132 7.946 -1.743 68 2HB ASN 11 2HB ASN 11 0.988 6.880 -0.903 69 1HD2 ASN 11 1HD2 ASN 11 1.568 9.301 -2.606 70 2HD2 ASN 11 2HD2 ASN 11 2.631 8.743 -3.813 71 H ALA 12 H ALA 12 -1.588 7.750 -3.439 72 HA ALA 12 HA ALA 12 -2.448 6.266 -5.798 73 1HB ALA 12 1HB ALA 12 -2.760 8.957 -6.336 74 2HB ALA 12 2HB ALA 12 -3.925 7.970 -5.455 75 3HB ALA 12 3HB ALA 12 -2.740 8.933 -4.572 76 H SER 13 H SER 13 0.193 5.799 -5.881 77 HA SER 13 HA SER 13 1.108 7.389 -8.231 78 1HB SER 13 1HB SER 13 1.969 8.502 -6.194 79 2HB SER 13 2HB SER 13 2.708 6.983 -5.685 80 HG SER 13 HG SER 13 3.715 8.825 -7.288 81 H ALA 14 H ALA 14 2.053 6.034 -9.720 82 HA ALA 14 HA ALA 14 2.562 3.209 -8.935 83 1HB ALA 14 1HB ALA 14 1.091 3.921 -10.869 84 2HB ALA 14 2HB ALA 14 2.544 4.532 -11.662 85 3HB ALA 14 3HB ALA 14 2.386 2.810 -11.316 86 H GLY 15 H GLY 15 4.630 3.513 -7.879 87 1HA GLY 15 1HA GLY 15 6.900 3.382 -9.676 88 2HA GLY 15 2HA GLY 15 6.870 4.911 -8.797 89 HA PRO 16 HA PRO 16 9.149 2.550 -5.839 90 1HB PRO 16 1HB PRO 16 9.396 4.552 -3.970 91 2HB PRO 16 2HB PRO 16 10.437 4.373 -5.397 92 1HG PRO 16 1HG PRO 16 8.089 6.156 -4.984 93 2HG PRO 16 2HG PRO 16 9.626 6.483 -5.797 94 1HD PRO 16 1HD PRO 16 7.365 5.937 -7.172 95 2HD PRO 16 2HD PRO 16 8.976 5.458 -7.753 96 HA PRO 17 HA PRO 17 5.812 2.858 -2.466 97 1HB PRO 17 1HB PRO 17 3.445 4.086 -3.028 98 2HB PRO 17 2HB PRO 17 4.841 4.954 -2.361 99 1HG PRO 17 1HG PRO 17 3.759 4.946 -5.105 100 2HG PRO 17 2HG PRO 17 4.629 6.214 -4.234 101 1HD PRO 17 1HD PRO 17 5.693 4.496 -6.173 102 2HD PRO 17 2HD PRO 17 6.606 5.543 -5.075 103 H TYR 18 H TYR 18 6.111 0.841 -4.215 104 HA TYR 18 HA TYR 18 3.441 0.065 -5.272 105 1HB TYR 18 1HB TYR 18 4.723 -1.669 -6.458 106 2HB TYR 18 2HB TYR 18 5.457 -0.087 -6.703 107 HD1 TYR 18 HD1 TYR 18 5.742 -3.300 -4.893 108 HD2 TYR 18 HD2 TYR 18 7.630 0.442 -5.823 109 HE1 TYR 18 HE1 TYR 18 7.885 -4.148 -3.974 110 HE2 TYR 18 HE2 TYR 18 9.770 -0.405 -4.897 111 HH TYR 18 HH TYR 18 9.944 -3.313 -3.050 112 H CYS 19 H CYS 19 2.386 -1.857 -4.572 113 HA CYS 19 HA CYS 19 3.010 -2.632 -1.798 114 1HB CYS 19 1HB CYS 19 0.776 -3.252 -3.747 115 2HB CYS 19 2HB CYS 19 0.807 -3.848 -2.089 116 H CYS 20 H CYS 20 2.593 -5.150 -1.382 117 HA CYS 20 HA CYS 20 4.705 -6.535 -2.899 118 1HB CYS 20 1HB CYS 20 4.128 -6.373 -0.319 119 2HB CYS 20 2HB CYS 20 3.115 -7.762 -0.691 120 H SER 21 H SER 21 1.225 -7.108 -2.226 121 HA SER 21 HA SER 21 1.321 -9.323 -4.245 122 1HB SER 21 1HB SER 21 0.239 -9.067 -1.656 123 2HB SER 21 2HB SER 21 -1.150 -9.069 -2.738 124 HG SER 21 HG SER 21 -0.366 -10.996 -3.643 125 H SER 22 H SER 22 -1.328 -7.169 -3.195 126 HA SER 22 HA SER 22 -1.531 -5.802 -5.728 127 1HB SER 22 1HB SER 22 -2.948 -8.362 -5.243 128 2HB SER 22 2HB SER 22 -3.891 -7.089 -6.011 129 HG SER 22 HG SER 22 -1.286 -7.845 -6.878 130 H TYR 23 H TYR 23 -2.033 -5.608 -2.548 131 HA TYR 23 HA TYR 23 -4.615 -4.089 -2.835 132 1HB TYR 23 1HB TYR 23 -4.391 -6.217 -1.341 133 2HB TYR 23 2HB TYR 23 -3.478 -5.159 -0.282 134 HD1 TYR 23 HD1 TYR 23 -6.804 -5.933 -1.597 135 HD2 TYR 23 HD2 TYR 23 -4.495 -3.192 0.768 136 HE1 TYR 23 HE1 TYR 23 -8.894 -4.984 -0.654 137 HE2 TYR 23 HE2 TYR 23 -6.581 -2.247 1.709 138 HH TYR 23 HH TYR 23 -9.782 -3.468 0.729 139 H CYS 24 H CYS 24 -4.706 -2.058 -1.885 140 HA CYS 24 HA CYS 24 -2.378 -0.975 -0.414 141 1HB CYS 24 1HB CYS 24 -1.760 -0.631 -2.746 142 2HB CYS 24 2HB CYS 24 -3.349 0.042 -3.110 143 H PHE 25 H PHE 25 -3.605 -0.282 1.369 144 HA PHE 25 HA PHE 25 -6.198 1.123 0.890 145 1HB PHE 25 1HB PHE 25 -5.499 -0.800 2.610 146 2HB PHE 25 2HB PHE 25 -5.018 0.580 3.581 147 HD1 PHE 25 HD1 PHE 25 -6.625 2.087 4.538 148 HD2 PHE 25 HD2 PHE 25 -7.890 -1.030 1.860 149 HE1 PHE 25 HE1 PHE 25 -8.987 2.506 5.160 150 HE2 PHE 25 HE2 PHE 25 -10.249 -0.608 2.485 151 HZ PHE 25 HZ PHE 25 -10.799 1.160 4.134 152 H GLN 26 H GLN 26 -5.361 3.189 0.145 153 HA GLN 26 HA GLN 26 -3.833 4.749 2.206 154 1HB GLN 26 1HB GLN 26 -2.587 4.362 0.166 155 2HB GLN 26 2HB GLN 26 -3.950 4.890 -0.809 156 1HG GLN 26 1HG GLN 26 -3.329 6.947 1.103 157 2HG GLN 26 2HG GLN 26 -1.853 6.483 0.266 158 1HE2 GLN 26 1HE2 GLN 26 -5.312 7.046 -0.688 159 2HE2 GLN 26 2HE2 GLN 26 -4.912 7.950 -2.064 160 H ILE 27 H ILE 27 -4.545 6.871 2.673 161 HA ILE 27 HA ILE 27 -7.274 7.543 1.616 162 HB ILE 27 HB ILE 27 -7.079 8.848 4.031 163 1HG1 ILE 27 1HG1 ILE 27 -5.762 6.126 4.350 164 2HG1 ILE 27 2HG1 ILE 27 -4.956 7.677 4.581 165 1HG2 ILE 27 1HG2 ILE 27 -8.857 7.507 4.601 166 2HG2 ILE 27 2HG2 ILE 27 -8.774 7.126 2.880 167 3HG2 ILE 27 3HG2 ILE 27 -8.057 6.032 4.062 168 1HD1 ILE 27 1HD1 ILE 27 -6.380 8.218 6.452 169 2HD1 ILE 27 2HD1 ILE 27 -7.407 6.820 6.140 170 3HD1 ILE 27 3HD1 ILE 27 -5.757 6.590 6.715 171 H ALA 28 H ALA 28 -7.758 9.882 1.591 172 HA ALA 28 HA ALA 28 -5.564 11.396 0.403 173 1HB ALA 28 1HB ALA 28 -7.990 11.368 -0.302 174 2HB ALA 28 2HB ALA 28 -8.367 12.268 1.166 175 3HB ALA 28 3HB ALA 28 -7.332 12.988 -0.067 176 H GLY 29 H GLY 29 -4.774 13.440 1.175 177 1HA GLY 29 1HA GLY 29 -5.000 15.180 3.041 178 2HA GLY 29 2HA GLY 29 -4.993 13.797 4.138 179 H GLN 30 H GLN 30 -3.024 12.223 2.956 180 HA GLN 30 HA GLN 30 -0.578 13.941 2.880 181 1HB GLN 30 1HB GLN 30 -1.465 12.898 5.168 182 2HB GLN 30 2HB GLN 30 -0.603 11.483 4.563 183 1HG GLN 30 1HG GLN 30 1.205 13.477 4.048 184 2HG GLN 30 2HG GLN 30 0.467 14.054 5.541 185 1HE2 GLN 30 1HE2 GLN 30 2.546 13.561 6.657 186 2HE2 GLN 30 2HE2 GLN 30 2.924 11.959 7.063 187 H SER 31 H SER 31 -2.238 11.510 1.339 188 HA SER 31 HA SER 31 -1.632 9.898 -0.269 189 1HB SER 31 1HB SER 31 -0.321 11.563 -1.332 190 2HB SER 31 2HB SER 31 0.836 11.629 -0.008 191 HG SER 31 HG SER 31 1.464 9.478 -0.596 192 H TYR 32 H TYR 32 -1.741 8.935 2.265 193 HA TYR 32 HA TYR 32 0.598 7.069 2.377 194 1HB TYR 32 1HB TYR 32 0.682 7.345 4.769 195 2HB TYR 32 2HB TYR 32 0.652 8.957 4.063 196 HD1 TYR 32 HD1 TYR 32 -1.578 10.188 3.934 197 HD2 TYR 32 HD2 TYR 32 -1.002 6.632 6.264 198 HE1 TYR 32 HE1 TYR 32 -3.604 10.732 5.260 199 HE2 TYR 32 HE2 TYR 32 -3.032 7.173 7.591 200 HH TYR 32 HH TYR 32 -4.569 10.233 7.433 201 H GLY 33 H GLY 33 0.054 4.928 2.658 202 1HA GLY 33 1HA GLY 33 -2.584 4.157 3.710 203 2HA GLY 33 2HA GLY 33 -2.327 3.787 2.006 204 H VAL 34 H VAL 34 -2.684 1.531 2.909 205 HA VAL 34 HA VAL 34 -0.013 0.408 3.687 206 HB VAL 34 HB VAL 34 -1.194 -1.093 5.271 207 1HG1 VAL 34 1HG1 VAL 34 -2.065 1.707 5.929 208 2HG1 VAL 34 2HG1 VAL 34 -1.353 0.487 6.985 209 3HG1 VAL 34 3HG1 VAL 34 -0.347 1.324 5.803 210 1HG2 VAL 34 1HG2 VAL 34 -3.656 0.449 5.418 211 2HG2 VAL 34 2HG2 VAL 34 -3.471 -0.299 3.834 212 3HG2 VAL 34 3HG2 VAL 34 -3.442 -1.297 5.286 213 H CYS 35 H CYS 35 0.532 -1.469 2.607 214 HA CYS 35 HA CYS 35 -1.259 -2.326 0.424 215 1HB CYS 35 1HB CYS 35 1.525 -3.135 1.240 216 2HB CYS 35 2HB CYS 35 0.727 -3.634 -0.237 217 H LYS 36 H LYS 36 -1.712 -4.524 0.025 218 HA LYS 36 HA LYS 36 -1.532 -6.504 2.236 219 1HB LYS 36 1HB LYS 36 -3.759 -4.812 1.775 220 2HB LYS 36 2HB LYS 36 -4.244 -6.447 1.335 221 1HG LYS 36 2HG LYS 36 -2.678 -6.142 3.852 222 2HG LYS 36 1HG LYS 36 -4.334 -5.534 3.874 223 1HD LYS 36 1HD LYS 36 -5.066 -7.635 4.147 224 2HD LYS 36 2HD LYS 36 -4.426 -8.035 2.556 225 1HE LYS 36 1HE LYS 36 -2.142 -8.315 3.772 226 2HE LYS 36 2HE LYS 36 -3.117 -8.395 5.254 227 1HZ LYS 36 1HZ LYS 36 -4.500 -9.960 3.498 228 2HZ LYS 36 2HZ LYS 36 -3.453 -10.533 4.705 229 3HZ LYS 36 3HZ LYS 36 -2.877 -10.325 3.106 230 H ASN 37 H ASN 37 -3.221 -8.432 1.260 231 HA ASN 37 HA ASN 37 -1.793 -9.462 -1.051 232 1HB ASN 37 1HB ASN 37 -4.166 -10.359 0.600 233 2HB ASN 37 2HB ASN 37 -3.538 -11.314 -0.740 234 1HD2 ASN 37 1HD2 ASN 37 -1.465 -12.355 -0.465 235 2HD2 ASN 37 2HD2 ASN 37 -0.690 -12.419 1.041 236 H ARG 38 H ARG 38 -5.340 -9.364 -0.733 237 HA ARG 38 HA ARG 38 -7.027 -8.544 -2.179 238 1HB ARG 38 1HB ARG 38 -5.259 -6.696 -2.576 239 2HB ARG 38 2HB ARG 38 -4.843 -7.589 -4.034 240 1HG ARG 38 1HG ARG 38 -7.710 -7.333 -3.847 241 2HG ARG 38 2HG ARG 38 -6.967 -5.742 -3.695 242 1HD ARG 38 1HD ARG 38 -7.348 -6.185 -6.065 243 2HD ARG 38 2HD ARG 38 -5.599 -6.279 -5.766 244 HE ARG 38 HE ARG 38 -7.203 -8.795 -5.578 245 1HH1 ARG 38 1HH1 ARG 38 -6.315 -7.373 -8.287 246 2HH1 ARG 38 2HH1 ARG 38 -5.001 -8.416 -8.703 247 1HH2 ARG 38 1HH2 ARG 38 -4.897 -9.932 -5.585 248 2HH2 ARG 38 2HH2 ARG 38 -4.192 -9.861 -7.173 Start of MODEL 10 1 HA ALA 1 HA ALA 1 13.345 -2.368 -0.688 2 1HB ALA 1 1HB ALA 1 10.663 -1.560 0.495 3 2HB ALA 1 2HB ALA 1 12.040 -2.215 1.384 4 3HB ALA 1 3HB ALA 1 12.147 -0.617 0.648 5 H GLY 2 H GLY 2 11.990 -4.251 0.811 6 1HA GLY 2 1HA GLY 2 11.296 -6.252 -1.166 7 2HA GLY 2 2HA GLY 2 11.165 -6.451 0.581 8 H CYS 3 H CYS 3 9.205 -7.191 -1.547 9 HA CYS 3 HA CYS 3 6.989 -5.326 -1.480 10 1HB CYS 3 1HB CYS 3 5.897 -6.967 -2.741 11 2HB CYS 3 2HB CYS 3 7.588 -7.333 -3.068 12 H ILE 4 H ILE 4 5.280 -5.189 -0.042 13 HA ILE 4 HA ILE 4 5.441 -6.940 2.388 14 HB ILE 4 HB ILE 4 4.005 -4.292 2.023 15 1HG1 ILE 4 1HG1 ILE 4 6.398 -4.098 3.603 16 2HG1 ILE 4 2HG1 ILE 4 6.817 -4.798 2.041 17 1HG2 ILE 4 1HG2 ILE 4 3.746 -6.127 4.014 18 2HG2 ILE 4 2HG2 ILE 4 5.110 -5.194 4.627 19 3HG2 ILE 4 3HG2 ILE 4 3.582 -4.391 4.273 20 1HD1 ILE 4 1HD1 ILE 4 6.887 -2.610 1.390 21 2HD1 ILE 4 2HD1 ILE 4 5.143 -2.820 1.234 22 3HD1 ILE 4 3HD1 ILE 4 5.818 -2.083 2.688 23 H LYS 5 H LYS 5 3.842 -8.420 2.667 24 HA LYS 5 HA LYS 5 1.530 -8.473 0.878 25 1HB LYS 5 1HB LYS 5 2.740 -10.299 2.959 26 2HB LYS 5 2HB LYS 5 1.251 -10.702 2.107 27 1HG LYS 5 2HG LYS 5 2.330 -11.059 0.102 28 2HG LYS 5 1HG LYS 5 3.567 -9.848 0.435 29 1HD LYS 5 1HD LYS 5 3.520 -12.286 2.163 30 2HD LYS 5 2HD LYS 5 4.121 -12.463 0.516 31 1HE LYS 5 1HE LYS 5 5.170 -10.092 1.950 32 2HE LYS 5 2HE LYS 5 5.687 -11.654 2.614 33 1HZ LYS 5 1HZ LYS 5 5.689 -11.174 -0.306 34 2HZ LYS 5 2HZ LYS 5 6.565 -12.326 0.583 35 3HZ LYS 5 3HZ LYS 5 7.006 -10.684 0.643 36 H ASN 6 H ASN 6 2.246 -7.507 4.137 37 HA ASN 6 HA ASN 6 -0.623 -6.903 4.625 38 1HB ASN 6 1HB ASN 6 -0.229 -9.182 5.460 39 2HB ASN 6 2HB ASN 6 1.169 -8.625 6.374 40 1HD2 ASN 6 1HD2 ASN 6 0.781 -7.468 8.369 41 2HD2 ASN 6 2HD2 ASN 6 -0.770 -7.345 9.047 42 H GLY 7 H GLY 7 -0.491 -4.717 5.089 43 1HA GLY 7 1HA GLY 7 0.000 -2.874 6.524 44 2HA GLY 7 2HA GLY 7 1.229 -3.852 7.321 45 H GLY 8 H GLY 8 1.062 -3.383 3.808 46 1HA GLY 8 1HA GLY 8 3.835 -2.457 3.767 47 2HA GLY 8 2HA GLY 8 2.773 -2.584 2.364 48 H ARG 9 H ARG 9 3.860 -0.383 1.904 49 HA ARG 9 HA ARG 9 2.122 1.736 3.092 50 1HB ARG 9 2HB ARG 9 4.638 1.293 3.968 51 2HB ARG 9 1HB ARG 9 4.995 2.356 2.610 52 1HG ARG 9 2HG ARG 9 4.698 3.763 4.546 53 2HG ARG 9 1HG ARG 9 3.271 3.967 3.530 54 1HD ARG 9 2HD ARG 9 2.335 3.658 5.679 55 2HD ARG 9 1HD ARG 9 2.278 2.018 5.001 56 HE ARG 9 HE ARG 9 4.224 2.974 7.035 57 1HH1 ARG 9 1HH2 ARG 9 2.342 0.438 6.557 58 2HH1 ARG 9 2HH2 ARG 9 3.558 -0.793 6.538 59 1HH2 ARG 9 2HH1 ARG 9 6.164 1.484 6.301 60 2HH2 ARG 9 1HH1 ARG 9 5.741 -0.189 6.410 61 H CYS 10 H CYS 10 1.060 2.564 1.329 62 HA CYS 10 HA CYS 10 2.688 3.215 -1.106 63 1HB CYS 10 1HB CYS 10 0.567 2.480 -2.378 64 2HB CYS 10 2HB CYS 10 1.561 1.209 -1.677 65 H ASN 11 H ASN 11 1.245 4.629 -2.626 66 HA ASN 11 HA ASN 11 -0.730 6.370 -1.309 67 1HB ASN 11 1HB ASN 11 1.732 6.965 -0.614 68 2HB ASN 11 2HB ASN 11 1.850 7.641 -2.236 69 1HD2 ASN 11 1HD2 ASN 11 2.133 9.693 -0.762 70 2HD2 ASN 11 2HD2 ASN 11 0.707 10.535 -0.362 71 H ALA 12 H ALA 12 0.153 8.557 -3.325 72 HA ALA 12 HA ALA 12 -1.557 7.954 -5.492 73 1HB ALA 12 1HB ALA 12 0.944 9.610 -5.804 74 2HB ALA 12 2HB ALA 12 -0.683 9.942 -6.401 75 3HB ALA 12 3HB ALA 12 -0.319 10.131 -4.687 76 H SER 13 H SER 13 1.773 6.988 -4.921 77 HA SER 13 HA SER 13 1.768 5.502 -7.528 78 1HB SER 13 1HB SER 13 3.270 7.462 -7.543 79 2HB SER 13 2HB SER 13 4.053 6.881 -6.074 80 HG SER 13 HG SER 13 4.767 6.314 -8.485 81 H ALA 14 H ALA 14 4.040 3.982 -7.122 82 HA ALA 14 HA ALA 14 3.125 2.028 -5.122 83 1HB ALA 14 1HB ALA 14 5.683 1.400 -6.241 84 2HB ALA 14 2HB ALA 14 4.117 0.704 -6.658 85 3HB ALA 14 3HB ALA 14 4.703 2.130 -7.513 86 H GLY 15 H GLY 15 6.186 3.852 -5.618 87 1HA GLY 15 1HA GLY 15 7.644 4.765 -3.989 88 2HA GLY 15 2HA GLY 15 6.508 4.257 -2.740 89 HA PRO 16 HA PRO 16 10.324 1.500 -2.995 90 1HB PRO 16 1HB PRO 16 11.255 2.009 -0.452 91 2HB PRO 16 2HB PRO 16 11.800 2.854 -1.916 92 1HG PRO 16 1HG PRO 16 9.793 3.702 0.119 93 2HG PRO 16 2HG PRO 16 11.042 4.652 -0.700 94 1HD PRO 16 1HD PRO 16 8.462 4.761 -1.466 95 2HD PRO 16 2HD PRO 16 9.799 4.899 -2.631 96 HA PRO 17 HA PRO 17 8.094 -0.840 0.438 97 1HB PRO 17 1HB PRO 17 6.128 0.386 1.892 98 2HB PRO 17 2HB PRO 17 7.850 0.552 2.284 99 1HG PRO 17 1HG PRO 17 6.016 2.534 1.220 100 2HG PRO 17 2HG PRO 17 7.640 2.753 1.883 101 1HD PRO 17 1HD PRO 17 6.791 2.601 -0.903 102 2HD PRO 17 2HD PRO 17 8.341 3.121 -0.224 103 H TYR 18 H TYR 18 7.132 -0.351 -2.269 104 HA TYR 18 HA TYR 18 4.364 -0.114 -2.639 105 1HB TYR 18 1HB TYR 18 4.827 -1.496 -4.717 106 2HB TYR 18 2HB TYR 18 5.893 -0.114 -4.484 107 HD1 TYR 18 HD1 TYR 18 5.646 -3.791 -3.826 108 HD2 TYR 18 HD2 TYR 18 8.215 -0.405 -4.428 109 HE1 TYR 18 HE1 TYR 18 7.622 -5.295 -3.873 110 HE2 TYR 18 HE2 TYR 18 10.188 -1.911 -4.472 111 HH TYR 18 HH TYR 18 10.625 -4.371 -3.364 112 H CYS 19 H CYS 19 2.781 -1.826 -3.214 113 HA CYS 19 HA CYS 19 2.528 -3.807 -1.100 114 1HB CYS 19 1HB CYS 19 0.914 -3.697 -3.652 115 2HB CYS 19 2HB CYS 19 0.371 -4.122 -2.031 116 H CYS 20 H CYS 20 2.284 -6.168 -1.516 117 HA CYS 20 HA CYS 20 4.348 -7.114 -3.420 118 1HB CYS 20 1HB CYS 20 3.992 -7.795 -0.954 119 2HB CYS 20 2HB CYS 20 2.677 -8.792 -1.562 120 H SER 21 H SER 21 0.873 -7.718 -2.826 121 HA SER 21 HA SER 21 0.766 -9.296 -5.362 122 1HB SER 21 1HB SER 21 -1.516 -9.865 -4.457 123 2HB SER 21 2HB SER 21 -0.204 -10.283 -3.354 124 HG SER 21 HG SER 21 -2.247 -8.861 -2.733 125 H SER 22 H SER 22 -1.568 -7.083 -3.844 126 HA SER 22 HA SER 22 -1.466 -5.118 -5.944 127 1HB SER 22 1HB SER 22 -3.199 -7.501 -6.207 128 2HB SER 22 2HB SER 22 -3.957 -5.963 -6.609 129 HG SER 22 HG SER 22 -1.439 -6.851 -7.613 130 H TYR 23 H TYR 23 -2.226 -5.718 -2.808 131 HA TYR 23 HA TYR 23 -4.659 -3.961 -2.854 132 1HB TYR 23 1HB TYR 23 -4.474 -6.224 -1.587 133 2HB TYR 23 2HB TYR 23 -3.497 -5.302 -0.448 134 HD1 TYR 23 HD1 TYR 23 -6.869 -5.914 -1.674 135 HD2 TYR 23 HD2 TYR 23 -4.427 -3.307 0.715 136 HE1 TYR 23 HE1 TYR 23 -8.905 -4.956 -0.629 137 HE2 TYR 23 HE2 TYR 23 -6.463 -2.357 1.759 138 HH TYR 23 HH TYR 23 -9.459 -3.784 1.588 139 H CYS 24 H CYS 24 -4.658 -2.006 -1.894 140 HA CYS 24 HA CYS 24 -2.365 -1.050 -0.286 141 1HB CYS 24 1HB CYS 24 -1.555 -0.581 -2.483 142 2HB CYS 24 2HB CYS 24 -3.145 -0.064 -3.042 143 H PHE 25 H PHE 25 -3.625 -0.361 1.463 144 HA PHE 25 HA PHE 25 -6.198 1.046 0.975 145 1HB PHE 25 1HB PHE 25 -5.444 -0.800 2.751 146 2HB PHE 25 2HB PHE 25 -4.964 0.618 3.662 147 HD1 PHE 25 HD1 PHE 25 -7.833 -1.124 2.099 148 HD2 PHE 25 HD2 PHE 25 -6.576 2.180 4.542 149 HE1 PHE 25 HE1 PHE 25 -10.189 -0.700 2.738 150 HE2 PHE 25 HE2 PHE 25 -8.933 2.603 5.182 151 HZ PHE 25 HZ PHE 25 -10.741 1.161 4.280 152 H GLN 26 H GLN 26 -5.328 3.064 0.092 153 HA GLN 26 HA GLN 26 -3.792 4.739 2.055 154 1HB GLN 26 1HB GLN 26 -2.586 4.317 0.023 155 2HB GLN 26 2HB GLN 26 -4.000 4.687 -0.953 156 1HG GLN 26 1HG GLN 26 -3.423 6.907 0.797 157 2HG GLN 26 2HG GLN 26 -1.977 6.478 -0.105 158 1HE2 GLN 26 1HE2 GLN 26 -2.131 8.396 -1.469 159 2HE2 GLN 26 2HE2 GLN 26 -3.341 8.535 -2.659 160 H ILE 27 H ILE 27 -4.499 6.879 2.453 161 HA ILE 27 HA ILE 27 -7.241 7.543 1.419 162 HB ILE 27 HB ILE 27 -6.970 8.787 3.896 163 1HG1 ILE 27 1HG1 ILE 27 -5.958 5.927 4.059 164 2HG1 ILE 27 2HG1 ILE 27 -5.020 7.372 4.438 165 1HG2 ILE 27 1HG2 ILE 27 -8.445 6.547 4.434 166 2HG2 ILE 27 2HG2 ILE 27 -9.067 7.970 3.598 167 3HG2 ILE 27 3HG2 ILE 27 -8.497 6.581 2.672 168 1HD1 ILE 27 1HD1 ILE 27 -7.526 6.440 5.867 169 2HD1 ILE 27 2HD1 ILE 27 -5.883 6.385 6.505 170 3HD1 ILE 27 3HD1 ILE 27 -6.666 7.939 6.217 171 H ALA 28 H ALA 28 -7.740 9.889 1.476 172 HA ALA 28 HA ALA 28 -5.423 11.483 0.551 173 1HB ALA 28 1HB ALA 28 -7.177 12.964 -0.272 174 2HB ALA 28 2HB ALA 28 -7.613 11.297 -0.651 175 3HB ALA 28 3HB ALA 28 -8.384 12.125 0.703 176 H GLY 29 H GLY 29 -6.280 10.895 3.597 177 1HA GLY 29 1HA GLY 29 -6.706 13.611 4.610 178 2HA GLY 29 2HA GLY 29 -6.448 12.171 5.593 179 H GLN 30 H GLN 30 -4.044 11.234 4.882 180 HA GLN 30 HA GLN 30 -2.169 13.539 5.334 181 1HB GLN 30 1HB GLN 30 -2.780 11.147 6.803 182 2HB GLN 30 2HB GLN 30 -1.092 11.100 6.293 183 1HG GLN 30 1HG GLN 30 -0.534 13.023 7.473 184 2HG GLN 30 2HG GLN 30 -2.183 13.648 7.440 185 1HE2 GLN 30 1HE2 GLN 30 -1.386 13.837 9.900 186 2HE2 GLN 30 2HE2 GLN 30 -1.832 12.535 10.889 187 H SER 31 H SER 31 -3.019 11.457 2.942 188 HA SER 31 HA SER 31 -1.907 10.733 0.986 189 1HB SER 31 1HB SER 31 -0.803 13.046 1.480 190 2HB SER 31 2HB SER 31 0.563 12.099 2.066 191 HG SER 31 HG SER 31 -0.147 12.659 -0.461 192 H TYR 32 H TYR 32 -2.136 8.837 2.874 193 HA TYR 32 HA TYR 32 0.408 7.329 2.626 194 1HB TYR 32 1HB TYR 32 0.678 7.041 4.956 195 2HB TYR 32 2HB TYR 32 0.256 8.740 4.782 196 HD1 TYR 32 HD1 TYR 32 -2.031 9.534 5.357 197 HD2 TYR 32 HD2 TYR 32 -0.812 5.469 6.008 198 HE1 TYR 32 HE1 TYR 32 -3.944 9.206 6.907 199 HE2 TYR 32 HE2 TYR 32 -2.727 5.142 7.551 200 HH TYR 32 HH TYR 32 -4.247 7.314 9.057 201 H GLY 33 H GLY 33 0.105 5.049 2.692 202 1HA GLY 33 1HA GLY 33 -2.625 4.016 3.181 203 2HA GLY 33 2HA GLY 33 -1.975 3.803 1.559 204 H VAL 34 H VAL 34 -2.661 1.568 2.941 205 HA VAL 34 HA VAL 34 0.022 0.416 3.649 206 HB VAL 34 HB VAL 34 -1.260 -1.021 5.295 207 1HG1 VAL 34 1HG1 VAL 34 -1.905 1.609 6.336 208 2HG1 VAL 34 2HG1 VAL 34 -0.634 0.495 6.838 209 3HG1 VAL 34 3HG1 VAL 34 -0.343 1.626 5.516 210 1HG2 VAL 34 1HG2 VAL 34 -3.495 -0.673 4.216 211 2HG2 VAL 34 2HG2 VAL 34 -3.501 -0.320 5.944 212 3HG2 VAL 34 3HG2 VAL 34 -3.463 1.001 4.776 213 H CYS 35 H CYS 35 0.516 -1.429 2.522 214 HA CYS 35 HA CYS 35 -1.418 -2.389 0.521 215 1HB CYS 35 1HB CYS 35 1.415 -3.187 1.178 216 2HB CYS 35 2HB CYS 35 0.521 -3.708 -0.233 217 H LYS 36 H LYS 36 -1.871 -4.608 0.232 218 HA LYS 36 HA LYS 36 -1.541 -6.475 2.527 219 1HB LYS 36 1HB LYS 36 -3.766 -4.822 2.216 220 2HB LYS 36 2HB LYS 36 -4.294 -6.396 1.617 221 1HG LYS 36 2HG LYS 36 -2.723 -6.368 4.151 222 2HG LYS 36 1HG LYS 36 -4.380 -5.764 4.225 223 1HD LYS 36 1HD LYS 36 -5.220 -7.844 4.075 224 2HD LYS 36 2HD LYS 36 -4.260 -8.183 2.642 225 1HE LYS 36 1HE LYS 36 -3.319 -9.745 4.084 226 2HE LYS 36 2HE LYS 36 -2.298 -8.352 4.488 227 1HZ LYS 36 1HZ LYS 36 -3.093 -8.499 6.555 228 2HZ LYS 36 2HZ LYS 36 -4.270 -9.654 6.095 229 3HZ LYS 36 3HZ LYS 36 -4.607 -7.996 5.948 230 H ASN 37 H ASN 37 -2.665 -8.627 1.922 231 HA ASN 37 HA ASN 37 -1.650 -9.640 -0.571 232 1HB ASN 37 1HB ASN 37 -3.449 -10.586 1.655 233 2HB ASN 37 2HB ASN 37 -3.286 -11.572 0.205 234 1HD2 ASN 37 1HD2 ASN 37 -1.025 -12.302 -0.344 235 2HD2 ASN 37 2HD2 ASN 37 0.114 -12.455 0.903 236 H ARG 38 H ARG 38 -5.065 -9.496 0.503 237 HA ARG 38 HA ARG 38 -5.971 -8.337 -2.000 238 1HB ARG 38 1HB ARG 38 -5.592 -11.107 -1.824 239 2HB ARG 38 2HB ARG 38 -7.328 -10.884 -1.610 240 1HG ARG 38 1HG ARG 38 -5.813 -9.517 -3.841 241 2HG ARG 38 2HG ARG 38 -6.480 -11.137 -4.031 242 1HD ARG 38 1HD ARG 38 -8.125 -8.719 -3.187 243 2HD ARG 38 2HD ARG 38 -8.049 -9.348 -4.846 244 HE ARG 38 HE ARG 38 -8.663 -11.613 -3.464 245 1HH1 ARG 38 1HH1 ARG 38 -9.580 -9.195 -1.580 246 2HH1 ARG 38 2HH1 ARG 38 -11.300 -9.348 -1.831 247 1HH2 ARG 38 1HH2 ARG 38 -10.984 -11.464 -4.547 248 2HH2 ARG 38 2HH2 ARG 38 -12.091 -10.628 -3.515
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