NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9205 | 1niy | 5674 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1H GLU 1 7.981 9.438 1.305 2 2H GLU 1 2H GLU 1 7.002 10.130 0.103 3 3H GLU 1 3H GLU 1 7.793 8.653 -0.186 4 HA GLU 1 HA GLU 1 5.790 8.969 1.986 5 1HB GLU 1 2HB GLU 1 4.214 7.949 0.271 6 2HB GLU 1 1HB GLU 1 4.691 9.613 -0.059 7 1HG GLU 1 2HG GLU 1 6.053 9.016 -1.848 8 2HG GLU 1 1HG GLU 1 6.325 7.385 -1.234 9 H CYS 2 H CYS 2 5.716 7.105 3.188 10 HA CYS 2 HA CYS 2 6.369 4.490 2.010 11 1HB CYS 2 2HB CYS 2 8.586 5.388 2.375 12 2HB CYS 2 1HB CYS 2 8.158 5.919 4.000 13 H LEU 3 H LEU 3 4.258 3.909 2.826 14 HA LEU 3 HA LEU 3 3.750 4.124 5.741 15 1HB LEU 3 2HB LEU 3 2.207 3.211 3.305 16 2HB LEU 3 1HB LEU 3 1.573 2.983 4.934 17 HG LEU 3 HG LEU 3 2.527 5.678 3.957 18 1HD1 LEU 3 1HD1 LEU 3 0.673 4.687 2.511 19 2HD1 LEU 3 2HD1 LEU 3 0.292 6.222 3.291 20 3HD1 LEU 3 3HD1 LEU 3 -0.342 4.716 3.953 21 1HD2 LEU 3 1HD2 LEU 3 2.215 5.181 6.430 22 2HD2 LEU 3 2HD2 LEU 3 0.504 4.929 6.088 23 3HD2 LEU 3 3HD2 LEU 3 1.232 6.510 5.815 24 H GLY 4 H GLY 4 3.608 2.293 7.115 25 1HA GLY 4 2HA GLY 4 5.251 0.015 6.439 26 2HA GLY 4 1HA GLY 4 4.279 0.182 7.901 27 H PHE 5 H PHE 5 4.323 -2.295 6.799 28 HA PHE 5 HA PHE 5 2.294 -2.784 4.799 29 1HB PHE 5 2HB PHE 5 4.041 -4.390 5.176 30 2HB PHE 5 1HB PHE 5 3.685 -4.468 6.900 31 HD1 PHE 5 HD1 PHE 5 2.722 -6.491 7.516 32 HD2 PHE 5 HD2 PHE 5 1.621 -4.720 3.759 33 HE1 PHE 5 HE1 PHE 5 1.118 -8.337 7.113 34 HE2 PHE 5 HE2 PHE 5 0.017 -6.567 3.361 35 HZ PHE 5 HZ PHE 5 -0.235 -8.375 5.037 36 H GLY 6 H GLY 6 0.108 -2.832 5.056 37 1HA GLY 6 2HA GLY 6 -1.977 -3.205 6.107 38 2HA GLY 6 1HA GLY 6 -1.124 -3.626 7.591 39 H LYS 7 H LYS 7 -0.685 -0.622 5.748 40 HA LYS 7 HA LYS 7 -1.665 0.888 8.143 41 1HB LYS 7 2HB LYS 7 0.775 0.950 7.180 42 2HB LYS 7 1HB LYS 7 0.070 1.979 5.933 43 1HG LYS 7 2HG LYS 7 0.718 3.553 7.529 44 2HG LYS 7 1HG LYS 7 -0.965 3.269 7.972 45 1HD LYS 7 2HD LYS 7 -0.188 1.555 9.625 46 2HD LYS 7 1HD LYS 7 1.476 1.999 9.245 47 1HE LYS 7 2HE LYS 7 1.368 3.886 10.514 48 2HE LYS 7 1HE LYS 7 -0.228 4.320 9.873 49 1HZ LYS 7 1HZ LYS 7 -1.225 2.622 11.263 50 2HZ LYS 7 2HZ LYS 7 -0.346 3.709 12.226 51 3HZ LYS 7 3HZ LYS 7 0.295 2.177 11.869 52 H GLY 8 H GLY 8 -3.366 2.312 7.854 53 1HA GLY 8 2HA GLY 8 -5.064 2.178 5.589 54 2HA GLY 8 1HA GLY 8 -5.120 3.457 6.802 55 H CYS 9 H CYS 9 -4.654 2.909 3.564 56 HA CYS 9 HA CYS 9 -3.343 5.568 3.224 57 1HB CYS 9 2HB CYS 9 -1.694 4.656 1.749 58 2HB CYS 9 1HB CYS 9 -1.716 3.588 3.151 59 H ASN 10 H ASN 10 -3.439 6.156 0.767 60 HA ASN 10 HA ASN 10 -6.193 5.545 -0.206 61 1HB ASN 10 2HB ASN 10 -5.280 7.889 0.245 62 2HB ASN 10 1HB ASN 10 -4.210 7.644 -1.134 63 1HD2 ASN 10 1HD2 ASN 10 -5.191 9.135 -2.597 64 2HD2 ASN 10 2HD2 ASN 10 -6.787 8.976 -3.152 65 HA PRO 11 HA PRO 11 -4.229 2.950 -3.279 66 1HB PRO 11 2HB PRO 11 -6.490 2.388 -4.719 67 2HB PRO 11 1HB PRO 11 -6.095 1.596 -3.180 68 1HG PRO 11 2HG PRO 11 -7.974 3.837 -3.727 69 2HG PRO 11 1HG PRO 11 -8.147 2.463 -2.624 70 1HD PRO 11 2HD PRO 11 -7.470 4.962 -1.793 71 2HD PRO 11 1HD PRO 11 -6.953 3.484 -0.952 72 H SER 12 H SER 12 -6.245 5.763 -3.983 73 HA SER 12 HA SER 12 -5.653 5.933 -6.814 74 1HB SER 12 2HB SER 12 -6.726 7.749 -4.665 75 2HB SER 12 1HB SER 12 -6.389 8.389 -6.271 76 HG SER 12 HG SER 12 -8.282 6.507 -5.429 77 H ASN 13 H ASN 13 -4.254 7.522 -3.916 78 HA ASN 13 HA ASN 13 -2.154 8.823 -5.542 79 1HB ASN 13 2HB ASN 13 -3.101 8.837 -2.690 80 2HB ASN 13 1HB ASN 13 -1.488 9.449 -3.055 81 1HD2 ASN 13 1HD2 ASN 13 -1.345 11.557 -3.929 82 2HD2 ASN 13 2HD2 ASN 13 -2.689 12.478 -4.407 83 H ASP 14 H ASP 14 -2.494 6.174 -3.223 84 HA ASP 14 HA ASP 14 -1.082 4.385 -2.673 85 1HB ASP 14 2HB ASP 14 -0.955 4.607 -5.303 86 2HB ASP 14 1HB ASP 14 0.693 5.146 -4.975 87 H GLN 15 H GLN 15 -0.182 5.123 -0.733 88 HA GLN 15 HA GLN 15 2.380 6.678 -0.928 89 1HB GLN 15 2HB GLN 15 0.116 6.576 1.067 90 2HB GLN 15 1HB GLN 15 1.690 7.236 1.511 91 1HG GLN 15 2HG GLN 15 0.624 8.234 -1.057 92 2HG GLN 15 1HG GLN 15 -0.319 8.697 0.359 93 1HE2 GLN 15 1HE2 GLN 15 2.046 9.929 -1.527 94 2HE2 GLN 15 2HE2 GLN 15 2.946 10.789 -0.373 95 H CYS 16 H CYS 16 1.699 3.581 -0.832 96 HA CYS 16 HA CYS 16 2.847 2.656 1.681 97 1HB CYS 16 2HB CYS 16 2.314 1.370 -1.015 98 2HB CYS 16 1HB CYS 16 2.866 0.473 0.399 99 H CYS 17 H CYS 17 4.929 1.395 1.750 100 HA CYS 17 HA CYS 17 7.086 2.880 0.418 101 1HB CYS 17 2HB CYS 17 6.739 1.618 2.826 102 2HB CYS 17 1HB CYS 17 7.686 0.419 1.944 103 H LYS 18 H LYS 18 7.983 2.276 -1.505 104 HA LYS 18 HA LYS 18 7.168 -0.133 -2.908 105 1HB LYS 18 2HB LYS 18 8.052 2.293 -3.645 106 2HB LYS 18 1HB LYS 18 9.593 1.436 -3.680 107 1HG LYS 18 2HG LYS 18 7.501 -0.151 -4.925 108 2HG LYS 18 1HG LYS 18 7.630 1.432 -5.690 109 1HD LYS 18 2HD LYS 18 10.152 -0.067 -5.088 110 2HD LYS 18 1HD LYS 18 9.179 -0.579 -6.467 111 1HE LYS 18 2HE LYS 18 9.288 1.669 -7.435 112 2HE LYS 18 1HE LYS 18 10.174 2.260 -6.015 113 1HZ LYS 18 1HZ LYS 18 11.926 0.688 -6.447 114 2HZ LYS 18 2HZ LYS 18 11.663 1.606 -7.852 115 3HZ LYS 18 3HZ LYS 18 11.071 0.016 -7.750 116 H SER 19 H SER 19 9.996 0.783 -0.976 117 HA SER 19 HA SER 19 11.782 -1.305 -1.735 118 1HB SER 19 2HB SER 19 11.344 0.367 0.738 119 2HB SER 19 1HB SER 19 12.635 -0.830 0.674 120 HG SER 19 HG SER 19 13.689 0.710 -0.297 121 H SER 20 H SER 20 9.069 -1.294 0.568 122 HA SER 20 HA SER 20 9.713 -4.074 1.425 123 1HB SER 20 2HB SER 20 7.807 -1.901 2.308 124 2HB SER 20 1HB SER 20 7.693 -3.540 2.944 125 HG SER 20 HG SER 20 9.634 -1.582 3.326 126 H ASN 21 H ASN 21 8.477 -3.122 -1.316 127 HA ASN 21 HA ASN 21 6.825 -3.880 -2.815 128 1HB ASN 21 2HB ASN 21 7.018 -6.245 -0.915 129 2HB ASN 21 1HB ASN 21 6.380 -6.304 -2.557 130 1HD2 ASN 21 1HD2 ASN 21 8.064 -5.317 -4.259 131 2HD2 ASN 21 2HD2 ASN 21 9.675 -5.801 -4.037 132 H LEU 22 H LEU 22 5.661 -2.119 -1.124 133 HA LEU 22 HA LEU 22 3.163 -3.451 -0.130 134 1HB LEU 22 2HB LEU 22 4.595 -0.885 0.626 135 2HB LEU 22 1HB LEU 22 3.014 -1.338 1.261 136 HG LEU 22 HG LEU 22 5.485 -3.077 1.501 137 1HD1 LEU 22 1HD1 LEU 22 5.589 -2.324 3.830 138 2HD1 LEU 22 2HD1 LEU 22 4.198 -1.272 3.572 139 3HD1 LEU 22 3HD1 LEU 22 5.721 -0.939 2.748 140 1HD2 LEU 22 1HD2 LEU 22 4.087 -4.224 3.221 141 2HD2 LEU 22 2HD2 LEU 22 3.369 -4.308 1.613 142 3HD2 LEU 22 3HD2 LEU 22 2.741 -3.164 2.801 143 H VAL 23 H VAL 23 1.254 -2.877 -1.101 144 HA VAL 23 HA VAL 23 1.218 -0.466 -2.890 145 HB VAL 23 HB VAL 23 -0.224 -1.909 -4.406 146 1HG1 VAL 23 1HG1 VAL 23 2.247 -1.515 -4.738 147 2HG1 VAL 23 2HG1 VAL 23 1.655 -3.026 -5.430 148 3HG1 VAL 23 3HG1 VAL 23 2.542 -3.041 -3.905 149 1HG2 VAL 23 1HG2 VAL 23 0.872 -4.202 -2.751 150 2HG2 VAL 23 2HG2 VAL 23 -0.280 -4.292 -4.083 151 3HG2 VAL 23 3HG2 VAL 23 -0.763 -3.571 -2.549 152 H CYS 24 H CYS 24 -0.692 0.766 -2.736 153 HA CYS 24 HA CYS 24 -2.402 0.326 -0.432 154 1HB CYS 24 2HB CYS 24 -2.245 2.257 -2.733 155 2HB CYS 24 1HB CYS 24 -3.672 2.260 -1.698 156 H SER 25 H SER 25 -4.078 -1.096 -0.377 157 HA SER 25 HA SER 25 -5.172 -2.281 -2.832 158 1HB SER 25 2HB SER 25 -5.623 -2.579 0.143 159 2HB SER 25 1HB SER 25 -6.610 -3.448 -1.029 160 HG SER 25 HG SER 25 -4.995 -4.815 -0.841 161 H ARG 26 H ARG 26 -7.498 -2.243 -3.318 162 HA ARG 26 HA ARG 26 -8.713 0.417 -2.800 163 1HB ARG 26 2HB ARG 26 -9.138 -1.891 -4.692 164 2HB ARG 26 1HB ARG 26 -10.380 -0.650 -4.518 165 1HG ARG 26 2HG ARG 26 -8.748 1.093 -5.091 166 2HG ARG 26 1HG ARG 26 -7.477 -0.122 -5.220 167 1HD ARG 26 2HD ARG 26 -9.909 -0.661 -6.841 168 2HD ARG 26 1HD ARG 26 -8.921 0.718 -7.363 169 HE ARG 26 HE ARG 26 -7.062 -0.778 -7.702 170 1HH1 ARG 26 2HH1 ARG 26 -9.247 -2.473 -8.901 171 2HH1 ARG 26 1HH1 ARG 26 -8.980 -4.000 -8.130 172 1HH2 ARG 26 1HH2 ARG 26 -6.975 -2.677 -5.616 173 2HH2 ARG 26 2HH2 ARG 26 -7.689 -4.116 -6.263 174 H LYS 27 H LYS 27 -9.436 -3.045 -2.358 175 HA LYS 27 HA LYS 27 -12.014 -2.614 -1.071 176 1HB LYS 27 2HB LYS 27 -10.268 -4.777 -1.947 177 2HB LYS 27 1HB LYS 27 -10.973 -5.131 -0.370 178 1HG LYS 27 2HG LYS 27 -13.214 -4.763 -1.223 179 2HG LYS 27 1HG LYS 27 -12.575 -4.216 -2.774 180 1HD LYS 27 2HD LYS 27 -13.187 -6.477 -3.146 181 2HD LYS 27 1HD LYS 27 -11.437 -6.518 -2.926 182 1HE LYS 27 2HE LYS 27 -12.658 -6.732 -0.335 183 2HE LYS 27 1HE LYS 27 -13.407 -7.926 -1.413 184 1HZ LYS 27 1HZ LYS 27 -10.484 -7.483 -1.081 185 2HZ LYS 27 2HZ LYS 27 -11.197 -8.605 -2.140 186 3HZ LYS 27 3HZ LYS 27 -11.357 -8.797 -0.459 187 H HIS 28 H HIS 28 -8.697 -3.279 0.052 188 HA HIS 28 HA HIS 28 -9.531 -3.134 2.891 189 1HB HIS 28 2HB HIS 28 -6.929 -3.678 1.430 190 2HB HIS 28 1HB HIS 28 -7.067 -3.670 3.189 191 HD1 HIS 28 HD1 HIS 28 -8.120 -5.603 0.141 192 HD2 HIS 28 HD2 HIS 28 -8.469 -5.892 4.285 193 HE1 HIS 28 HE1 HIS 28 -9.024 -7.918 0.623 194 H ARG 29 H ARG 29 -8.140 -1.070 0.436 195 HA ARG 29 HA ARG 29 -7.354 1.152 0.504 196 1HB ARG 29 2HB ARG 29 -9.687 0.961 1.849 197 2HB ARG 29 1HB ARG 29 -8.654 1.531 3.160 198 1HG ARG 29 2HG ARG 29 -7.831 3.272 1.362 199 2HG ARG 29 1HG ARG 29 -9.367 2.894 0.582 200 1HD ARG 29 2HD ARG 29 -10.612 3.547 2.564 201 2HD ARG 29 1HD ARG 29 -9.110 3.752 3.487 202 HE ARG 29 HE ARG 29 -8.631 5.415 1.405 203 1HH1 ARG 29 1HH2 ARG 29 -9.434 6.705 3.932 204 2HH1 ARG 29 2HH2 ARG 29 -10.889 7.543 3.503 205 1HH2 ARG 29 2HH1 ARG 29 -11.385 5.730 0.577 206 2HH2 ARG 29 1HH1 ARG 29 -11.997 6.988 1.598 207 H TRP 30 H TRP 30 -5.527 -0.782 1.537 208 HA TRP 30 HA TRP 30 -3.984 0.937 3.397 209 1HB TRP 30 2HB TRP 30 -3.833 -0.741 5.091 210 2HB TRP 30 1HB TRP 30 -5.533 -0.664 4.654 211 HD1 TRP 30 HD1 TRP 30 -4.684 -2.412 1.820 212 HE1 TRP 30 HE1 TRP 30 -4.586 -4.966 2.107 213 HE3 TRP 30 HE3 TRP 30 -4.324 -2.713 6.904 214 HZ2 TRP 30 HZ2 TRP 30 -4.386 -6.888 4.210 215 HZ3 TRP 30 HZ3 TRP 30 -4.186 -4.919 8.021 216 HH2 TRP 30 HH2 TRP 30 -4.217 -7.005 6.683 217 H CYS 31 H CYS 31 -1.767 -0.336 3.858 218 HA CYS 31 HA CYS 31 -0.592 -0.870 1.225 219 1HB CYS 31 2HB CYS 31 0.408 -0.803 4.086 220 2HB CYS 31 1HB CYS 31 1.466 -1.202 2.735 221 H LYS 32 H LYS 32 -0.658 -2.879 0.312 222 HA LYS 32 HA LYS 32 -0.803 -5.271 2.122 223 1HB LYS 32 2HB LYS 32 -2.802 -4.741 0.713 224 2HB LYS 32 1HB LYS 32 -1.794 -4.901 -0.725 225 1HG LYS 32 2HG LYS 32 -1.471 -7.216 -0.391 226 2HG LYS 32 1HG LYS 32 -1.965 -7.128 1.301 227 1HD LYS 32 2HD LYS 32 -3.910 -7.979 0.394 228 2HD LYS 32 1HD LYS 32 -4.241 -6.257 0.206 229 1HE LYS 32 2HE LYS 32 -3.646 -6.284 -2.106 230 2HE LYS 32 1HE LYS 32 -2.872 -7.875 -1.964 231 1HZ LYS 32 1HZ LYS 32 -5.177 -7.940 -2.883 232 2HZ LYS 32 2HZ LYS 32 -5.745 -7.381 -1.382 233 3HZ LYS 32 3HZ LYS 32 -4.960 -8.886 -1.491 234 H TYR 33 H TYR 33 0.476 -7.108 1.515 235 HA TYR 33 HA TYR 33 2.831 -6.443 -0.195 236 1HB TYR 33 2HB TYR 33 2.939 -7.225 2.251 237 2HB TYR 33 1HB TYR 33 2.419 -8.802 1.658 238 HD1 TYR 33 HD1 TYR 33 3.808 -9.905 -0.212 239 HD2 TYR 33 HD2 TYR 33 5.205 -6.577 2.118 240 HE1 TYR 33 HE1 TYR 33 6.143 -10.431 -0.862 241 HE2 TYR 33 HE2 TYR 33 7.539 -7.103 1.469 242 HH TYR 33 HH TYR 33 8.653 -9.704 0.553 243 H GLU 34 H GLU 34 2.936 -7.350 -2.212 244 HA GLU 34 HA GLU 34 0.929 -9.309 -3.073 245 1HB GLU 34 2HB GLU 34 3.091 -7.623 -4.262 246 2HB GLU 34 1HB GLU 34 2.584 -9.043 -5.176 247 1HG GLU 34 2HG GLU 34 0.636 -6.993 -4.089 248 2HG GLU 34 1HG GLU 34 1.306 -6.921 -5.719 249 H ILE 35 H ILE 35 1.225 -11.446 -2.627 250 HA ILE 35 HA ILE 35 4.023 -12.532 -2.615 251 HB ILE 35 HB ILE 35 2.645 -12.448 -0.469 252 1HG1 ILE 35 1HG1 ILE 35 3.137 -15.330 -1.045 253 2HG1 ILE 35 2HG1 ILE 35 4.497 -14.230 -1.279 254 1HG2 ILE 35 1HG2 ILE 35 0.490 -13.091 -1.651 255 2HG2 ILE 35 2HG2 ILE 35 1.125 -14.734 -1.748 256 3HG2 ILE 35 3HG2 ILE 35 0.833 -13.992 -0.174 257 1HD1 ILE 35 1HD1 ILE 35 4.152 -13.344 1.015 258 2HD1 ILE 35 2HD1 ILE 35 2.841 -14.500 1.248 259 3HD1 ILE 35 3HD1 ILE 35 4.495 -15.073 1.024 260 1HN NH2 36 1HN NH2 36 1.932 -13.499 -5.598 261 2HN NH2 36 2HN NH2 36 2.259 -11.997 -4.708 Start of MODEL 2 1 1H GLU 1 1H GLU 1 6.059 11.511 -1.480 2 2H GLU 1 2H GLU 1 7.237 12.394 -0.635 3 3H GLU 1 3H GLU 1 5.877 11.788 0.185 4 HA GLU 1 HA GLU 1 8.056 10.167 -1.040 5 1HB GLU 1 2HB GLU 1 8.382 11.571 1.109 6 2HB GLU 1 1HB GLU 1 7.244 10.453 1.860 7 1HG GLU 1 2HG GLU 1 9.469 9.628 2.301 8 2HG GLU 1 1HG GLU 1 8.737 8.558 1.107 9 H CYS 2 H CYS 2 7.786 7.853 -0.638 10 HA CYS 2 HA CYS 2 5.084 6.889 -1.027 11 1HB CYS 2 2HB CYS 2 6.207 4.699 -0.994 12 2HB CYS 2 1HB CYS 2 7.140 5.851 -1.946 13 H LEU 3 H LEU 3 4.072 5.207 0.418 14 HA LEU 3 HA LEU 3 4.271 6.050 3.269 15 1HB LEU 3 2HB LEU 3 2.248 4.508 1.622 16 2HB LEU 3 1HB LEU 3 2.094 4.727 3.364 17 HG LEU 3 HG LEU 3 2.399 7.030 1.418 18 1HD1 LEU 3 1HD1 LEU 3 0.060 7.285 1.374 19 2HD1 LEU 3 2HD1 LEU 3 -0.173 6.244 2.778 20 3HD1 LEU 3 3HD1 LEU 3 0.269 5.540 1.223 21 1HD2 LEU 3 1HD2 LEU 3 1.348 8.220 3.455 22 2HD2 LEU 3 2HD2 LEU 3 3.035 7.727 3.599 23 3HD2 LEU 3 3HD2 LEU 3 1.769 6.768 4.364 24 H GLY 4 H GLY 4 4.447 4.454 4.954 25 1HA GLY 4 2HA GLY 4 6.131 2.165 4.239 26 2HA GLY 4 1HA GLY 4 5.673 2.648 5.873 27 H PHE 5 H PHE 5 5.246 0.326 6.231 28 HA PHE 5 HA PHE 5 3.046 -0.958 4.776 29 1HB PHE 5 2HB PHE 5 4.889 -2.293 5.568 30 2HB PHE 5 1HB PHE 5 4.734 -1.644 7.200 31 HD1 PHE 5 HD1 PHE 5 3.765 -3.078 8.749 32 HD2 PHE 5 HD2 PHE 5 2.469 -3.250 4.655 33 HE1 PHE 5 HE1 PHE 5 2.168 -4.885 9.328 34 HE2 PHE 5 HE2 PHE 5 0.875 -5.056 5.236 35 HZ PHE 5 HZ PHE 5 0.724 -5.873 7.571 36 H GLY 6 H GLY 6 0.924 -1.111 5.463 37 1HA GLY 6 2HA GLY 6 -0.987 -0.817 6.787 38 2HA GLY 6 1HA GLY 6 0.072 -0.638 8.184 39 H LYS 7 H LYS 7 0.042 1.329 5.220 40 HA LYS 7 HA LYS 7 -0.500 3.729 6.927 41 1HB LYS 7 2HB LYS 7 1.430 3.042 4.907 42 2HB LYS 7 1HB LYS 7 0.460 4.395 4.325 43 1HG LYS 7 2HG LYS 7 2.247 5.392 5.543 44 2HG LYS 7 1HG LYS 7 0.853 5.466 6.621 45 1HD LYS 7 2HD LYS 7 1.623 3.395 7.745 46 2HD LYS 7 1HD LYS 7 3.034 3.358 6.687 47 1HE LYS 7 2HE LYS 7 2.939 5.977 7.784 48 2HE LYS 7 1HE LYS 7 2.680 4.850 9.130 49 1HZ LYS 7 1HZ LYS 7 4.844 4.670 7.096 50 2HZ LYS 7 2HZ LYS 7 4.570 3.544 8.339 51 3HZ LYS 7 3HZ LYS 7 5.041 5.131 8.716 52 H GLY 8 H GLY 8 -2.288 4.988 6.438 53 1HA GLY 8 2HA GLY 8 -4.390 3.925 4.813 54 2HA GLY 8 1HA GLY 8 -4.355 5.554 5.486 55 H CYS 9 H CYS 9 -4.466 3.903 2.630 56 HA CYS 9 HA CYS 9 -3.486 6.282 1.113 57 1HB CYS 9 2HB CYS 9 -2.347 4.673 -0.455 58 2HB CYS 9 1HB CYS 9 -1.645 4.686 1.161 59 H ASN 10 H ASN 10 -4.101 5.793 -1.370 60 HA ASN 10 HA ASN 10 -6.974 4.975 -1.347 61 1HB ASN 10 2HB ASN 10 -5.230 6.750 -3.059 62 2HB ASN 10 1HB ASN 10 -6.818 6.230 -3.620 63 1HD2 ASN 10 1HD2 ASN 10 -5.945 8.999 -2.843 64 2HD2 ASN 10 2HD2 ASN 10 -6.997 9.474 -1.599 65 HA PRO 11 HA PRO 11 -5.872 1.324 -3.604 66 1HB PRO 11 2HB PRO 11 -8.361 0.723 -4.592 67 2HB PRO 11 1HB PRO 11 -7.886 0.426 -2.907 68 1HG PRO 11 2HG PRO 11 -9.473 2.673 -4.056 69 2HG PRO 11 1HG PRO 11 -9.715 1.776 -2.548 70 1HD PRO 11 2HD PRO 11 -8.583 4.236 -2.622 71 2HD PRO 11 1HD PRO 11 -8.155 3.015 -1.402 72 H SER 12 H SER 12 -7.902 3.814 -5.180 73 HA SER 12 HA SER 12 -7.320 3.008 -7.898 74 1HB SER 12 2HB SER 12 -8.297 5.548 -6.567 75 2HB SER 12 1HB SER 12 -8.169 5.388 -8.316 76 HG SER 12 HG SER 12 -9.943 4.235 -6.527 77 H ASN 13 H ASN 13 -5.731 5.132 -5.563 78 HA ASN 13 HA ASN 13 -3.524 5.602 -7.538 79 1HB ASN 13 2HB ASN 13 -4.966 7.407 -5.598 80 2HB ASN 13 1HB ASN 13 -3.308 7.775 -6.074 81 1HD2 ASN 13 1HD2 ASN 13 -6.634 7.470 -7.302 82 2HD2 ASN 13 2HD2 ASN 13 -6.338 8.248 -8.781 83 H ASP 14 H ASP 14 -2.680 3.578 -6.492 84 HA ASP 14 HA ASP 14 -2.111 3.113 -3.806 85 1HB ASP 14 2HB ASP 14 -1.613 1.445 -5.408 86 2HB ASP 14 1HB ASP 14 -0.640 2.547 -6.379 87 H GLN 15 H GLN 15 -0.933 4.184 -2.295 88 HA GLN 15 HA GLN 15 1.195 6.102 -3.207 89 1HB GLN 15 2HB GLN 15 -0.868 6.139 -0.997 90 2HB GLN 15 1HB GLN 15 0.551 7.183 -0.931 91 1HG GLN 15 2HG GLN 15 -0.164 8.504 -2.668 92 2HG GLN 15 1HG GLN 15 -0.972 7.169 -3.490 93 1HE2 GLN 15 1HE2 GLN 15 -1.325 8.882 -0.312 94 2HE2 GLN 15 2HE2 GLN 15 -3.017 8.987 -0.401 95 H CYS 16 H CYS 16 1.284 3.116 -2.333 96 HA CYS 16 HA CYS 16 2.809 3.239 0.198 97 1HB CYS 16 2HB CYS 16 2.095 0.976 -1.698 98 2HB CYS 16 1HB CYS 16 2.800 0.773 -0.095 99 H CYS 17 H CYS 17 4.971 2.084 0.264 100 HA CYS 17 HA CYS 17 6.720 3.107 -1.879 101 1HB CYS 17 2HB CYS 17 6.903 2.823 0.840 102 2HB CYS 17 1HB CYS 17 7.812 1.416 0.292 103 H LYS 18 H LYS 18 7.764 1.849 -3.401 104 HA LYS 18 HA LYS 18 6.878 -0.934 -3.768 105 1HB LYS 18 2HB LYS 18 7.241 0.926 -5.531 106 2HB LYS 18 1HB LYS 18 8.962 0.583 -5.348 107 1HG LYS 18 2HG LYS 18 8.153 -1.924 -5.675 108 2HG LYS 18 1HG LYS 18 6.795 -1.142 -6.482 109 1HD LYS 18 2HD LYS 18 9.292 0.069 -7.312 110 2HD LYS 18 1HD LYS 18 9.336 -1.674 -7.576 111 1HE LYS 18 2HE LYS 18 8.178 -1.237 -9.492 112 2HE LYS 18 1HE LYS 18 6.780 -0.972 -8.433 113 1HZ LYS 18 1HZ LYS 18 7.194 0.981 -9.798 114 2HZ LYS 18 2HZ LYS 18 8.785 1.083 -9.211 115 3HZ LYS 18 3HZ LYS 18 7.471 1.336 -8.163 116 H SER 19 H SER 19 9.715 0.761 -2.568 117 HA SER 19 HA SER 19 11.703 -1.262 -2.844 118 1HB SER 19 2HB SER 19 11.930 1.173 -2.169 119 2HB SER 19 1HB SER 19 11.344 0.716 -0.572 120 HG SER 19 HG SER 19 13.479 0.494 -0.368 121 H SER 20 H SER 20 9.235 -0.749 -0.315 122 HA SER 20 HA SER 20 10.187 -3.155 1.159 123 1HB SER 20 2HB SER 20 8.253 -0.892 1.683 124 2HB SER 20 1HB SER 20 8.331 -2.296 2.743 125 HG SER 20 HG SER 20 10.162 -0.244 2.324 126 H ASN 21 H ASN 21 8.580 -3.071 -1.541 127 HA ASN 21 HA ASN 21 6.820 -4.283 -2.540 128 1HB ASN 21 2HB ASN 21 7.335 -6.014 -0.097 129 2HB ASN 21 1HB ASN 21 6.628 -6.548 -1.620 130 1HD2 ASN 21 1HD2 ASN 21 8.174 -5.893 -3.625 131 2HD2 ASN 21 2HD2 ASN 21 9.816 -6.247 -3.387 132 H LEU 22 H LEU 22 5.625 -2.196 -1.417 133 HA LEU 22 HA LEU 22 3.387 -3.305 0.257 134 1HB LEU 22 2HB LEU 22 4.742 -0.592 0.206 135 2HB LEU 22 1HB LEU 22 3.262 -0.920 1.108 136 HG LEU 22 HG LEU 22 5.772 -2.566 1.470 137 1HD1 LEU 22 1HD1 LEU 22 6.333 -0.260 2.028 138 2HD1 LEU 22 2HD1 LEU 22 6.146 -1.184 3.518 139 3HD1 LEU 22 3HD1 LEU 22 4.860 -0.103 2.984 140 1HD2 LEU 22 1HD2 LEU 22 4.650 -3.076 3.652 141 2HD2 LEU 22 2HD2 LEU 22 3.708 -3.606 2.258 142 3HD2 LEU 22 3HD2 LEU 22 3.259 -2.133 3.117 143 H VAL 23 H VAL 23 1.337 -3.007 -0.545 144 HA VAL 23 HA VAL 23 0.951 -1.093 -2.822 145 HB VAL 23 HB VAL 23 -0.456 -2.847 -3.882 146 1HG1 VAL 23 1HG1 VAL 23 1.345 -4.216 -4.667 147 2HG1 VAL 23 2HG1 VAL 23 2.255 -3.991 -3.173 148 3HG1 VAL 23 3HG1 VAL 23 2.047 -2.643 -4.291 149 1HG2 VAL 23 1HG2 VAL 23 -1.136 -4.030 -1.822 150 2HG2 VAL 23 2HG2 VAL 23 0.525 -4.573 -1.582 151 3HG2 VAL 23 3HG2 VAL 23 -0.399 -5.148 -2.969 152 H CYS 24 H CYS 24 -1.126 -0.092 -2.861 153 HA CYS 24 HA CYS 24 -2.511 0.039 -0.297 154 1HB CYS 24 2HB CYS 24 -2.082 1.847 -2.137 155 2HB CYS 24 1HB CYS 24 -3.515 1.164 -2.907 156 H SER 25 H SER 25 -4.011 -1.437 0.315 157 HA SER 25 HA SER 25 -5.253 -3.274 -1.605 158 1HB SER 25 2HB SER 25 -5.493 -2.819 1.384 159 2HB SER 25 1HB SER 25 -6.282 -4.143 0.532 160 HG SER 25 HG SER 25 -4.405 -5.107 0.293 161 H ARG 26 H ARG 26 -7.659 -3.576 -1.609 162 HA ARG 26 HA ARG 26 -9.048 -0.945 -1.721 163 1HB ARG 26 2HB ARG 26 -9.435 -3.712 -2.836 164 2HB ARG 26 1HB ARG 26 -10.804 -2.601 -2.786 165 1HG ARG 26 2HG ARG 26 -9.912 -1.208 -4.370 166 2HG ARG 26 1HG ARG 26 -8.255 -1.495 -3.838 167 1HD ARG 26 2HD ARG 26 -7.963 -3.069 -5.440 168 2HD ARG 26 1HD ARG 26 -9.413 -3.941 -4.902 169 HE ARG 26 HE ARG 26 -9.626 -1.508 -6.636 170 1HH1 ARG 26 2HH1 ARG 26 -12.088 -2.896 -5.581 171 2HH1 ARG 26 1HH1 ARG 26 -12.522 -3.911 -6.916 172 1HH2 ARG 26 1HH2 ARG 26 -9.431 -3.629 -8.477 173 2HH2 ARG 26 2HH2 ARG 26 -11.014 -4.326 -8.559 174 H LYS 27 H LYS 27 -9.333 -4.152 -0.177 175 HA LYS 27 HA LYS 27 -11.801 -3.572 1.233 176 1HB LYS 27 2HB LYS 27 -9.733 -5.677 1.056 177 2HB LYS 27 1HB LYS 27 -10.528 -5.575 2.626 178 1HG LYS 27 2HG LYS 27 -12.681 -5.926 1.679 179 2HG LYS 27 1HG LYS 27 -12.096 -5.615 0.045 180 1HD LYS 27 2HD LYS 27 -11.992 -7.886 -0.099 181 2HD LYS 27 1HD LYS 27 -10.477 -7.689 0.781 182 1HE LYS 27 2HE LYS 27 -13.017 -7.847 2.375 183 2HE LYS 27 1HE LYS 27 -12.346 -9.343 1.698 184 1HZ LYS 27 1HZ LYS 27 -11.307 -9.002 3.795 185 2HZ LYS 27 2HZ LYS 27 -10.964 -7.376 3.443 186 3HZ LYS 27 3HZ LYS 27 -10.153 -8.619 2.613 187 H HIS 28 H HIS 28 -8.348 -3.548 2.186 188 HA HIS 28 HA HIS 28 -9.020 -2.425 4.846 189 1HB HIS 28 2HB HIS 28 -6.407 -3.185 3.500 190 2HB HIS 28 1HB HIS 28 -6.575 -2.728 5.194 191 HD1 HIS 28 HD1 HIS 28 -9.251 -4.308 5.737 192 HD2 HIS 28 HD2 HIS 28 -5.861 -5.905 3.911 193 HE1 HIS 28 HE1 HIS 28 -9.382 -6.816 6.053 194 H ARG 29 H ARG 29 -7.909 -1.321 1.715 195 HA ARG 29 HA ARG 29 -7.337 0.826 0.931 196 1HB ARG 29 2HB ARG 29 -9.528 1.081 2.376 197 2HB ARG 29 1HB ARG 29 -8.457 1.916 3.501 198 1HG ARG 29 2HG ARG 29 -7.747 3.437 1.685 199 2HG ARG 29 1HG ARG 29 -8.847 2.618 0.577 200 1HD ARG 29 2HD ARG 29 -10.680 3.681 1.431 201 2HD ARG 29 1HD ARG 29 -10.103 3.524 3.102 202 HE ARG 29 HE ARG 29 -8.523 5.383 1.474 203 1HH1 ARG 29 1HH2 ARG 29 -9.085 5.451 4.495 204 2HH1 ARG 29 2HH2 ARG 29 -10.085 6.860 4.607 205 1HH2 ARG 29 2HH1 ARG 29 -10.744 6.985 1.196 206 2HH2 ARG 29 1HH1 ARG 29 -11.027 7.733 2.732 207 H TRP 30 H TRP 30 -5.260 -0.559 2.265 208 HA TRP 30 HA TRP 30 -3.662 1.726 3.265 209 1HB TRP 30 2HB TRP 30 -3.207 0.741 5.381 210 2HB TRP 30 1HB TRP 30 -4.939 0.539 5.160 211 HD1 TRP 30 HD1 TRP 30 -4.302 -1.991 3.000 212 HE1 TRP 30 HE1 TRP 30 -3.844 -4.286 4.068 213 HE3 TRP 30 HE3 TRP 30 -3.115 -0.532 7.749 214 HZ2 TRP 30 HZ2 TRP 30 -3.079 -5.368 6.598 215 HZ3 TRP 30 HZ3 TRP 30 -2.529 -2.220 9.467 216 HH2 TRP 30 HH2 TRP 30 -2.508 -4.633 8.898 217 H CYS 31 H CYS 31 -1.306 0.770 3.788 218 HA CYS 31 HA CYS 31 -0.418 -0.548 1.328 219 1HB CYS 31 2HB CYS 31 0.965 0.413 3.851 220 2HB CYS 31 1HB CYS 31 1.826 -0.235 2.457 221 H LYS 32 H LYS 32 -0.316 -2.727 1.097 222 HA LYS 32 HA LYS 32 -0.070 -4.434 3.554 223 1HB LYS 32 2HB LYS 32 -2.212 -4.477 2.201 224 2HB LYS 32 1HB LYS 32 -1.271 -5.109 0.850 225 1HG LYS 32 2HG LYS 32 -0.744 -7.111 2.007 226 2HG LYS 32 1HG LYS 32 -1.225 -6.433 3.562 227 1HD LYS 32 2HD LYS 32 -3.493 -6.668 3.124 228 2HD LYS 32 1HD LYS 32 -3.267 -6.601 1.376 229 1HE LYS 32 2HE LYS 32 -3.724 -8.886 1.726 230 2HE LYS 32 1HE LYS 32 -1.949 -8.863 1.752 231 1HZ LYS 32 1HZ LYS 32 -2.866 -10.005 3.701 232 2HZ LYS 32 2HZ LYS 32 -3.701 -8.593 4.143 233 3HZ LYS 32 3HZ LYS 32 -2.001 -8.616 4.146 234 H TYR 33 H TYR 33 1.608 -5.931 3.576 235 HA TYR 33 HA TYR 33 3.747 -5.679 1.619 236 1HB TYR 33 2HB TYR 33 3.591 -6.343 4.231 237 2HB TYR 33 1HB TYR 33 3.617 -7.962 3.535 238 HD1 TYR 33 HD1 TYR 33 5.615 -5.219 4.578 239 HD2 TYR 33 HD2 TYR 33 5.436 -8.378 1.671 240 HE1 TYR 33 HE1 TYR 33 8.061 -5.025 4.215 241 HE2 TYR 33 HE2 TYR 33 7.880 -8.184 1.310 242 HH TYR 33 HH TYR 33 9.928 -7.089 3.141 243 H GLU 34 H GLU 34 3.964 -6.860 -0.244 244 HA GLU 34 HA GLU 34 2.118 -9.174 -0.681 245 1HB GLU 34 2HB GLU 34 3.777 -7.544 -2.637 246 2HB GLU 34 1HB GLU 34 2.510 -8.697 -3.050 247 1HG GLU 34 2HG GLU 34 2.157 -6.081 -1.555 248 2HG GLU 34 1HG GLU 34 1.593 -6.445 -3.184 249 H ILE 35 H ILE 35 3.021 -11.092 -1.771 250 HA ILE 35 HA ILE 35 5.588 -11.914 -0.663 251 HB ILE 35 HB ILE 35 3.655 -13.159 -2.653 252 1HG1 ILE 35 1HG1 ILE 35 4.085 -14.149 0.137 253 2HG1 ILE 35 2HG1 ILE 35 3.159 -12.663 -0.067 254 1HG2 ILE 35 1HG2 ILE 35 6.073 -14.321 -1.236 255 2HG2 ILE 35 2HG2 ILE 35 4.848 -15.295 -2.048 256 3HG2 ILE 35 3HG2 ILE 35 5.837 -14.169 -2.977 257 1HD1 ILE 35 1HD1 ILE 35 2.570 -15.275 -1.491 258 2HD1 ILE 35 2HD1 ILE 35 1.706 -14.685 -0.071 259 3HD1 ILE 35 3HD1 ILE 35 1.616 -13.795 -1.591 260 1HN NH2 36 1HN NH2 36 6.123 -9.971 -4.007 261 2HN NH2 36 2HN NH2 36 4.865 -9.851 -2.758 Start of MODEL 3 1 1H GLU 1 1H GLU 1 10.719 8.761 -3.255 2 2H GLU 1 2H GLU 1 9.775 7.769 -4.261 3 3H GLU 1 3H GLU 1 10.401 7.157 -2.806 4 HA GLU 1 HA GLU 1 9.027 8.770 -1.557 5 1HB GLU 1 2HB GLU 1 8.436 9.458 -4.419 6 2HB GLU 1 1HB GLU 1 7.171 9.705 -3.217 7 1HG GLU 1 2HG GLU 1 8.169 11.696 -2.813 8 2HG GLU 1 1HG GLU 1 9.400 10.758 -1.966 9 H CYS 2 H CYS 2 8.053 7.024 -0.557 10 HA CYS 2 HA CYS 2 5.852 5.644 -2.027 11 1HB CYS 2 2HB CYS 2 6.747 3.474 -1.450 12 2HB CYS 2 1HB CYS 2 8.053 4.389 -2.198 13 H LEU 3 H LEU 3 4.814 4.016 -0.259 14 HA LEU 3 HA LEU 3 4.386 5.653 2.217 15 1HB LEU 3 2HB LEU 3 2.660 3.667 0.701 16 2HB LEU 3 1HB LEU 3 2.182 4.422 2.222 17 HG LEU 3 HG LEU 3 2.997 6.030 -0.209 18 1HD1 LEU 3 1HD1 LEU 3 0.668 6.269 -0.770 19 2HD1 LEU 3 2HD1 LEU 3 0.170 5.395 0.678 20 3HD1 LEU 3 3HD1 LEU 3 0.988 4.540 -0.631 21 1HD2 LEU 3 1HD2 LEU 3 3.103 7.355 1.761 22 2HD2 LEU 3 2HD2 LEU 3 1.653 6.611 2.436 23 3HD2 LEU 3 3HD2 LEU 3 1.521 7.719 1.070 24 H GLY 4 H GLY 4 4.483 4.602 4.244 25 1HA GLY 4 2HA GLY 4 6.106 2.193 4.382 26 2HA GLY 4 1HA GLY 4 5.419 3.056 5.758 27 H PHE 5 H PHE 5 5.222 0.491 6.154 28 HA PHE 5 HA PHE 5 2.955 -0.835 4.900 29 1HB PHE 5 2HB PHE 5 4.770 -2.132 5.798 30 2HB PHE 5 1HB PHE 5 4.656 -1.325 7.361 31 HD1 PHE 5 HD1 PHE 5 2.541 -3.340 4.994 32 HD2 PHE 5 HD2 PHE 5 3.463 -2.365 9.076 33 HE1 PHE 5 HE1 PHE 5 0.925 -5.052 5.770 34 HE2 PHE 5 HE2 PHE 5 1.847 -4.079 9.849 35 HZ PHE 5 HZ PHE 5 0.578 -5.422 8.196 36 H GLY 6 H GLY 6 0.828 -0.815 5.551 37 1HA GLY 6 2HA GLY 6 -1.090 -0.327 6.806 38 2HA GLY 6 1HA GLY 6 -0.051 -0.198 8.224 39 H LYS 7 H LYS 7 0.156 1.722 5.233 40 HA LYS 7 HA LYS 7 -0.417 4.169 6.879 41 1HB LYS 7 2HB LYS 7 1.498 3.570 4.614 42 2HB LYS 7 1HB LYS 7 1.087 5.226 5.060 43 1HG LYS 7 2HG LYS 7 2.027 3.247 7.135 44 2HG LYS 7 1HG LYS 7 3.179 4.165 6.165 45 1HD LYS 7 2HD LYS 7 2.633 6.171 7.154 46 2HD LYS 7 1HD LYS 7 0.958 5.695 7.439 47 1HE LYS 7 2HE LYS 7 1.652 4.234 9.288 48 2HE LYS 7 1HE LYS 7 3.355 4.629 8.981 49 1HZ LYS 7 1HZ LYS 7 2.446 6.067 10.700 50 2HZ LYS 7 2HZ LYS 7 1.211 6.581 9.653 51 3HZ LYS 7 3HZ LYS 7 2.831 6.973 9.319 52 H GLY 8 H GLY 8 -1.674 5.821 5.841 53 1HA GLY 8 2HA GLY 8 -3.861 5.023 4.270 54 2HA GLY 8 1HA GLY 8 -3.297 6.691 4.382 55 H CYS 9 H CYS 9 -3.986 4.386 2.182 56 HA CYS 9 HA CYS 9 -2.213 5.624 0.140 57 1HB CYS 9 2HB CYS 9 -0.889 3.772 0.842 58 2HB CYS 9 1HB CYS 9 -2.296 2.723 0.996 59 H ASN 10 H ASN 10 -3.172 5.607 -1.925 60 HA ASN 10 HA ASN 10 -6.031 4.833 -2.035 61 1HB ASN 10 2HB ASN 10 -4.233 6.763 -3.238 62 2HB ASN 10 1HB ASN 10 -5.109 5.893 -4.496 63 1HD2 ASN 10 1HD2 ASN 10 -5.351 8.570 -2.483 64 2HD2 ASN 10 2HD2 ASN 10 -7.040 8.734 -2.464 65 HA PRO 11 HA PRO 11 -5.049 1.017 -4.080 66 1HB PRO 11 2HB PRO 11 -7.525 0.502 -5.146 67 2HB PRO 11 1HB PRO 11 -7.128 0.251 -3.434 68 1HG PRO 11 2HG PRO 11 -8.551 2.527 -4.731 69 2HG PRO 11 1HG PRO 11 -8.898 1.705 -3.201 70 1HD PRO 11 2HD PRO 11 -7.639 4.097 -3.312 71 2HD PRO 11 1HD PRO 11 -7.310 2.899 -2.041 72 H SER 12 H SER 12 -6.697 3.656 -5.807 73 HA SER 12 HA SER 12 -6.176 2.640 -8.478 74 1HB SER 12 2HB SER 12 -7.954 4.276 -7.804 75 2HB SER 12 1HB SER 12 -6.693 5.463 -7.485 76 HG SER 12 HG SER 12 -7.695 4.503 -9.881 77 H ASN 13 H ASN 13 -4.535 4.978 -6.328 78 HA ASN 13 HA ASN 13 -2.433 5.568 -8.285 79 1HB ASN 13 2HB ASN 13 -3.133 6.303 -5.457 80 2HB ASN 13 1HB ASN 13 -1.516 6.666 -6.059 81 1HD2 ASN 13 1HD2 ASN 13 -1.304 8.570 -7.285 82 2HD2 ASN 13 2HD2 ASN 13 -2.608 9.445 -7.929 83 H ASP 14 H ASP 14 -2.699 3.681 -5.278 84 HA ASP 14 HA ASP 14 -1.291 2.047 -4.331 85 1HB ASP 14 2HB ASP 14 -1.676 1.604 -7.103 86 2HB ASP 14 1HB ASP 14 0.022 1.254 -6.784 87 H GLN 15 H GLN 15 -0.043 3.991 -3.434 88 HA GLN 15 HA GLN 15 2.629 4.353 -4.728 89 1HB GLN 15 2HB GLN 15 0.859 5.907 -2.868 90 2HB GLN 15 1HB GLN 15 2.594 6.227 -2.853 91 1HG GLN 15 2HG GLN 15 2.562 6.675 -5.261 92 2HG GLN 15 1HG GLN 15 0.842 6.288 -5.329 93 1HE2 GLN 15 1HE2 GLN 15 -0.660 7.910 -4.651 94 2HE2 GLN 15 2HE2 GLN 15 -0.182 9.456 -4.137 95 H CYS 16 H CYS 16 1.811 1.952 -3.030 96 HA CYS 16 HA CYS 16 3.104 2.184 -0.451 97 1HB CYS 16 2HB CYS 16 2.278 -0.103 -2.258 98 2HB CYS 16 1HB CYS 16 2.996 -0.373 -0.671 99 H CYS 17 H CYS 17 5.172 1.220 0.150 100 HA CYS 17 HA CYS 17 7.290 1.701 -1.789 101 1HB CYS 17 2HB CYS 17 6.989 1.647 0.968 102 2HB CYS 17 1HB CYS 17 7.963 0.212 0.652 103 H LYS 18 H LYS 18 7.669 0.239 -3.401 104 HA LYS 18 HA LYS 18 6.902 -2.551 -3.298 105 1HB LYS 18 2HB LYS 18 8.585 -0.801 -5.095 106 2HB LYS 18 1HB LYS 18 8.432 -2.531 -5.402 107 1HG LYS 18 2HG LYS 18 5.976 -0.845 -4.961 108 2HG LYS 18 1HG LYS 18 6.742 -0.906 -6.548 109 1HD LYS 18 2HD LYS 18 6.624 -3.445 -6.375 110 2HD LYS 18 1HD LYS 18 5.588 -3.212 -4.966 111 1HE LYS 18 2HE LYS 18 4.244 -1.611 -6.595 112 2HE LYS 18 1HE LYS 18 5.020 -2.597 -7.850 113 1HZ LYS 18 1HZ LYS 18 4.275 -4.591 -6.666 114 2HZ LYS 18 2HZ LYS 18 2.960 -3.628 -7.147 115 3HZ LYS 18 3HZ LYS 18 3.471 -3.623 -5.527 116 H SER 19 H SER 19 9.895 -0.804 -2.570 117 HA SER 19 HA SER 19 11.750 -2.966 -2.586 118 1HB SER 19 2HB SER 19 11.505 -0.386 -1.029 119 2HB SER 19 1HB SER 19 12.908 -1.436 -0.869 120 HG SER 19 HG SER 19 12.216 0.274 -2.872 121 H SER 20 H SER 20 9.405 -1.921 -0.128 122 HA SER 20 HA SER 20 10.361 -4.036 1.748 123 1HB SER 20 2HB SER 20 8.636 -1.571 1.906 124 2HB SER 20 1HB SER 20 8.574 -2.778 3.187 125 HG SER 20 HG SER 20 10.651 -1.080 2.400 126 H ASN 21 H ASN 21 8.664 -4.428 -0.833 127 HA ASN 21 HA ASN 21 6.820 -5.723 -1.515 128 1HB ASN 21 2HB ASN 21 8.238 -7.269 -0.106 129 2HB ASN 21 1HB ASN 21 7.188 -6.895 1.260 130 1HD2 ASN 21 1HD2 ASN 21 7.163 -8.332 -2.027 131 2HD2 ASN 21 2HD2 ASN 21 5.762 -9.258 -1.780 132 H LEU 22 H LEU 22 5.566 -3.584 -1.225 133 HA LEU 22 HA LEU 22 3.404 -3.981 0.821 134 1HB LEU 22 2HB LEU 22 4.921 -1.503 -0.026 135 2HB LEU 22 1HB LEU 22 3.390 -1.413 0.842 136 HG LEU 22 HG LEU 22 5.708 -3.055 1.870 137 1HD1 LEU 22 1HD1 LEU 22 6.638 -0.872 1.783 138 2HD1 LEU 22 2HD1 LEU 22 6.023 -1.028 3.429 139 3HD1 LEU 22 3HD1 LEU 22 5.108 -0.116 2.228 140 1HD2 LEU 22 1HD2 LEU 22 4.511 -2.827 3.996 141 2HD2 LEU 22 2HD2 LEU 22 3.418 -3.469 2.771 142 3HD2 LEU 22 3HD2 LEU 22 3.321 -1.771 3.237 143 H VAL 23 H VAL 23 1.358 -3.886 -0.014 144 HA VAL 23 HA VAL 23 0.988 -2.768 -2.776 145 HB VAL 23 HB VAL 23 -0.702 -4.659 -3.028 146 1HG1 VAL 23 1HG1 VAL 23 1.625 -4.713 -3.961 147 2HG1 VAL 23 2HG1 VAL 23 0.990 -6.313 -3.575 148 3HG1 VAL 23 3HG1 VAL 23 2.149 -5.540 -2.495 149 1HG2 VAL 23 1HG2 VAL 23 -0.720 -6.466 -1.485 150 2HG2 VAL 23 2HG2 VAL 23 -0.769 -5.024 -0.471 151 3HG2 VAL 23 3HG2 VAL 23 0.745 -5.903 -0.682 152 H CYS 24 H CYS 24 -0.825 -1.446 -3.001 153 HA CYS 24 HA CYS 24 -2.141 -0.497 -0.590 154 1HB CYS 24 2HB CYS 24 -1.522 0.615 -2.925 155 2HB CYS 24 1HB CYS 24 -3.149 0.077 -3.348 156 H SER 25 H SER 25 -4.348 -0.738 -0.018 157 HA SER 25 HA SER 25 -5.742 -3.077 -1.279 158 1HB SER 25 2HB SER 25 -4.905 -2.640 1.308 159 2HB SER 25 1HB SER 25 -6.584 -2.110 1.380 160 HG SER 25 HG SER 25 -7.167 -4.118 1.231 161 H ARG 26 H ARG 26 -8.181 -2.910 -1.177 162 HA ARG 26 HA ARG 26 -9.058 -0.163 -1.934 163 1HB ARG 26 2HB ARG 26 -9.618 -2.906 -2.706 164 2HB ARG 26 1HB ARG 26 -11.113 -2.059 -2.307 165 1HG ARG 26 2HG ARG 26 -10.634 -0.306 -3.886 166 2HG ARG 26 1HG ARG 26 -9.002 -0.919 -4.156 167 1HD ARG 26 2HD ARG 26 -11.197 -2.869 -4.640 168 2HD ARG 26 1HD ARG 26 -11.072 -1.531 -5.799 169 HE ARG 26 HE ARG 26 -9.004 -2.425 -6.523 170 1HH1 ARG 26 1HH2 ARG 26 -10.113 -5.067 -5.376 171 2HH1 ARG 26 2HH2 ARG 26 -8.750 -5.611 -4.456 172 1HH2 ARG 26 2HH1 ARG 26 -7.151 -2.526 -4.500 173 2HH2 ARG 26 1HH1 ARG 26 -7.069 -4.169 -3.958 174 H LYS 27 H LYS 27 -10.080 -2.886 0.169 175 HA LYS 27 HA LYS 27 -12.209 -1.370 1.457 176 1HB LYS 27 2HB LYS 27 -10.996 -4.044 1.502 177 2HB LYS 27 1HB LYS 27 -11.526 -3.511 3.097 178 1HG LYS 27 2HG LYS 27 -13.479 -2.875 1.015 179 2HG LYS 27 1HG LYS 27 -13.153 -4.605 1.123 180 1HD LYS 27 2HD LYS 27 -13.345 -3.595 3.787 181 2HD LYS 27 1HD LYS 27 -14.733 -2.991 2.882 182 1HE LYS 27 2HE LYS 27 -15.108 -5.373 2.061 183 2HE LYS 27 1HE LYS 27 -13.893 -5.883 3.249 184 1HZ LYS 27 1HZ LYS 27 -16.172 -5.906 4.158 185 2HZ LYS 27 2HZ LYS 27 -16.285 -4.233 3.884 186 3HZ LYS 27 3HZ LYS 27 -15.150 -4.841 4.994 187 H HIS 28 H HIS 28 -8.824 -2.136 2.253 188 HA HIS 28 HA HIS 28 -9.008 -0.740 4.858 189 1HB HIS 28 2HB HIS 28 -6.749 -2.103 3.353 190 2HB HIS 28 1HB HIS 28 -6.627 -1.489 5.002 191 HD1 HIS 28 HD1 HIS 28 -9.016 -2.450 6.420 192 HD2 HIS 28 HD2 HIS 28 -7.180 -4.817 3.520 193 HE1 HIS 28 HE1 HIS 28 -9.729 -4.835 6.885 194 H ARG 29 H ARG 29 -8.026 -0.069 1.568 195 HA ARG 29 HA ARG 29 -7.073 1.834 0.559 196 1HB ARG 29 2HB ARG 29 -8.529 2.834 3.007 197 2HB ARG 29 1HB ARG 29 -7.702 3.962 1.933 198 1HG ARG 29 2HG ARG 29 -9.060 3.357 0.076 199 2HG ARG 29 1HG ARG 29 -9.663 1.914 0.890 200 1HD ARG 29 2HD ARG 29 -11.450 3.467 1.103 201 2HD ARG 29 1HD ARG 29 -10.611 3.592 2.662 202 HE ARG 29 HE ARG 29 -9.581 5.657 1.901 203 1HH1 ARG 29 1HH2 ARG 29 -12.408 6.277 1.233 204 2HH1 ARG 29 2HH2 ARG 29 -12.308 6.779 -0.422 205 1HH2 ARG 29 2HH1 ARG 29 -9.150 5.416 -0.921 206 2HH2 ARG 29 1HH1 ARG 29 -10.459 6.290 -1.644 207 H TRP 30 H TRP 30 -5.198 0.313 2.051 208 HA TRP 30 HA TRP 30 -3.269 2.445 2.757 209 1HB TRP 30 2HB TRP 30 -2.920 1.660 4.986 210 2HB TRP 30 1HB TRP 30 -4.662 1.772 4.787 211 HD1 TRP 30 HD1 TRP 30 -4.380 -1.138 2.947 212 HE1 TRP 30 HE1 TRP 30 -4.417 -3.297 4.348 213 HE3 TRP 30 HE3 TRP 30 -3.284 0.782 7.546 214 HZ2 TRP 30 HZ2 TRP 30 -4.040 -4.106 7.064 215 HZ3 TRP 30 HZ3 TRP 30 -3.131 -0.704 9.523 216 HH2 TRP 30 HH2 TRP 30 -3.507 -3.143 9.289 217 H CYS 31 H CYS 31 -1.114 1.123 3.559 218 HA CYS 31 HA CYS 31 -0.475 -0.660 1.287 219 1HB CYS 31 2HB CYS 31 1.062 0.722 3.493 220 2HB CYS 31 1HB CYS 31 1.838 -0.457 2.436 221 H LYS 32 H LYS 32 -0.157 -2.863 1.489 222 HA LYS 32 HA LYS 32 -0.158 -4.048 4.240 223 1HB LYS 32 2HB LYS 32 -2.377 -3.971 2.822 224 2HB LYS 32 1HB LYS 32 -1.627 -5.295 1.930 225 1HG LYS 32 2HG LYS 32 -1.600 -6.711 3.791 226 2HG LYS 32 1HG LYS 32 -1.714 -5.372 4.933 227 1HD LYS 32 2HD LYS 32 -3.945 -5.659 4.999 228 2HD LYS 32 1HD LYS 32 -4.022 -5.228 3.290 229 1HE LYS 32 2HE LYS 32 -3.912 -7.493 2.592 230 2HE LYS 32 1HE LYS 32 -3.312 -8.037 4.170 231 1HZ LYS 32 1HZ LYS 32 -5.403 -7.311 5.167 232 2HZ LYS 32 2HZ LYS 32 -5.680 -8.480 3.966 233 3HZ LYS 32 3HZ LYS 32 -5.984 -6.840 3.644 234 H TYR 33 H TYR 33 0.738 -6.279 4.255 235 HA TYR 33 HA TYR 33 3.004 -6.552 2.383 236 1HB TYR 33 2HB TYR 33 2.976 -6.891 4.939 237 2HB TYR 33 1HB TYR 33 2.156 -8.417 4.612 238 HD1 TYR 33 HD1 TYR 33 5.232 -6.458 3.786 239 HD2 TYR 33 HD2 TYR 33 3.375 -10.328 3.954 240 HE1 TYR 33 HE1 TYR 33 7.411 -7.528 3.276 241 HE2 TYR 33 HE2 TYR 33 5.552 -11.396 3.443 242 HH TYR 33 HH TYR 33 8.243 -10.376 3.872 243 H GLU 34 H GLU 34 3.271 -8.324 0.949 244 HA GLU 34 HA GLU 34 0.822 -9.488 -0.128 245 1HB GLU 34 2HB GLU 34 3.785 -9.836 -0.671 246 2HB GLU 34 1HB GLU 34 2.529 -10.611 -1.636 247 1HG GLU 34 2HG GLU 34 1.549 -8.186 -1.829 248 2HG GLU 34 1HG GLU 34 3.181 -7.686 -1.384 249 H ILE 35 H ILE 35 0.913 -11.983 -0.615 250 HA ILE 35 HA ILE 35 0.870 -13.398 1.915 251 HB ILE 35 HB ILE 35 0.317 -15.327 0.421 252 1HG1 ILE 35 1HG1 ILE 35 0.392 -13.472 -1.933 253 2HG1 ILE 35 2HG1 ILE 35 1.889 -14.258 -1.436 254 1HG2 ILE 35 1HG2 ILE 35 -1.327 -13.475 1.126 255 2HG2 ILE 35 2HG2 ILE 35 -1.154 -12.866 -0.520 256 3HG2 ILE 35 3HG2 ILE 35 -1.795 -14.485 -0.241 257 1HD1 ILE 35 1HD1 ILE 35 0.494 -16.444 -1.423 258 2HD1 ILE 35 2HD1 ILE 35 -0.674 -15.531 -2.377 259 3HD1 ILE 35 3HD1 ILE 35 0.963 -15.773 -2.986 260 1HN NH2 36 1HN NH2 36 4.063 -14.301 2.423 261 2HN NH2 36 2HN NH2 36 2.549 -13.498 2.893 Start of MODEL 4 1 1H GLU 1 1H GLU 1 -11.078 7.142 -3.808 2 2H GLU 1 2H GLU 1 -11.473 5.521 -4.128 3 3H GLU 1 3H GLU 1 -12.077 6.756 -5.125 4 HA GLU 1 HA GLU 1 -10.232 5.584 -6.203 5 1HB GLU 1 2HB GLU 1 -10.838 8.075 -6.404 6 2HB GLU 1 1HB GLU 1 -9.467 8.385 -5.339 7 1HG GLU 1 2HG GLU 1 -8.493 8.575 -7.461 8 2HG GLU 1 1HG GLU 1 -8.140 6.899 -7.040 9 H CYS 2 H CYS 2 -8.918 4.049 -5.201 10 HA CYS 2 HA CYS 2 -6.618 5.101 -3.618 11 1HB CYS 2 2HB CYS 2 -7.002 3.229 -1.985 12 2HB CYS 2 1HB CYS 2 -8.300 4.419 -1.995 13 H LEU 3 H LEU 3 -4.894 3.364 -3.397 14 HA LEU 3 HA LEU 3 -4.558 1.973 -5.980 15 1HB LEU 3 2HB LEU 3 -2.788 2.250 -3.525 16 2HB LEU 3 1HB LEU 3 -2.271 1.608 -5.082 17 HG LEU 3 HG LEU 3 -3.417 4.391 -4.716 18 1HD1 LEU 3 1HD1 LEU 3 -1.023 5.116 -5.031 19 2HD1 LEU 3 2HD1 LEU 3 -0.545 3.432 -4.816 20 3HD1 LEU 3 3HD1 LEU 3 -1.332 4.301 -3.498 21 1HD2 LEU 3 1HD2 LEU 3 -2.220 4.672 -6.964 22 2HD2 LEU 3 2HD2 LEU 3 -3.667 3.665 -6.980 23 3HD2 LEU 3 3HD2 LEU 3 -2.072 2.915 -6.991 24 H GLY 4 H GLY 4 -4.386 -0.298 -6.197 25 1HA GLY 4 2HA GLY 4 -5.688 -1.869 -4.071 26 2HA GLY 4 1HA GLY 4 -5.274 -2.451 -5.683 27 H PHE 5 H PHE 5 -4.560 -4.300 -4.110 28 HA PHE 5 HA PHE 5 -2.090 -3.956 -2.616 29 1HB PHE 5 2HB PHE 5 -3.624 -5.690 -1.994 30 2HB PHE 5 1HB PHE 5 -3.705 -6.305 -3.643 31 HD1 PHE 5 HD1 PHE 5 -2.374 -8.126 -4.239 32 HD2 PHE 5 HD2 PHE 5 -1.200 -5.671 -0.913 33 HE1 PHE 5 HE1 PHE 5 -0.488 -9.664 -3.770 34 HE2 PHE 5 HE2 PHE 5 0.686 -7.212 -0.446 35 HZ PHE 5 HZ PHE 5 1.042 -9.207 -1.873 36 H GLY 6 H GLY 6 0.025 -4.507 -3.267 37 1HA GLY 6 2HA GLY 6 1.798 -5.010 -4.721 38 2HA GLY 6 1HA GLY 6 0.631 -5.792 -5.787 39 H LYS 7 H LYS 7 0.631 -2.416 -4.673 40 HA LYS 7 HA LYS 7 0.956 -1.552 -7.528 41 1HB LYS 7 2HB LYS 7 -1.338 -1.352 -6.504 42 2HB LYS 7 1HB LYS 7 -0.653 -0.259 -5.301 43 1HG LYS 7 2HG LYS 7 -1.521 1.176 -6.973 44 2HG LYS 7 1HG LYS 7 0.210 1.117 -7.302 45 1HD LYS 7 2HD LYS 7 -0.877 -1.065 -8.702 46 2HD LYS 7 1HD LYS 7 -1.996 0.268 -8.982 47 1HE LYS 7 2HE LYS 7 -0.045 1.711 -9.633 48 2HE LYS 7 1HE LYS 7 1.000 0.283 -9.494 49 1HZ LYS 7 1HZ LYS 7 0.208 0.504 -11.758 50 2HZ LYS 7 2HZ LYS 7 -1.405 0.534 -11.228 51 3HZ LYS 7 3HZ LYS 7 -0.475 -0.877 -11.048 52 H GLY 8 H GLY 8 2.564 -0.040 -7.875 53 1HA GLY 8 2HA GLY 8 4.450 0.608 -5.813 54 2HA GLY 8 1HA GLY 8 4.398 1.350 -7.412 55 H CYS 9 H CYS 9 3.938 1.924 -4.128 56 HA CYS 9 HA CYS 9 2.548 4.512 -4.729 57 1HB CYS 9 2HB CYS 9 1.195 4.177 -2.733 58 2HB CYS 9 1HB CYS 9 1.045 2.747 -3.753 59 H ASN 10 H ASN 10 2.795 5.984 -2.643 60 HA ASN 10 HA ASN 10 5.691 6.059 -2.011 61 1HB ASN 10 2HB ASN 10 3.415 7.900 -2.227 62 2HB ASN 10 1HB ASN 10 4.433 8.232 -0.826 63 1HD2 ASN 10 1HD2 ASN 10 4.119 8.965 -4.082 64 2HD2 ASN 10 2HD2 ASN 10 5.729 9.385 -4.417 65 HA PRO 11 HA PRO 11 5.032 4.347 2.023 66 1HB PRO 11 2HB PRO 11 7.379 5.172 3.178 67 2HB PRO 11 1HB PRO 11 7.280 3.814 2.040 68 1HG PRO 11 2HG PRO 11 8.139 6.625 1.560 69 2HG PRO 11 1HG PRO 11 8.804 5.116 0.916 70 1HD PRO 11 2HD PRO 11 7.168 6.749 -0.515 71 2HD PRO 11 1HD PRO 11 7.247 4.990 -0.763 72 H SER 12 H SER 12 6.248 7.712 1.786 73 HA SER 12 HA SER 12 5.191 8.497 4.394 74 1HB SER 12 2HB SER 12 7.156 9.464 3.002 75 2HB SER 12 1HB SER 12 5.915 10.302 2.075 76 HG SER 12 HG SER 12 6.878 10.795 4.584 77 H ASN 13 H ASN 13 4.239 9.082 0.993 78 HA ASN 13 HA ASN 13 1.597 10.128 1.899 79 1HB ASN 13 2HB ASN 13 3.158 11.299 0.232 80 2HB ASN 13 1HB ASN 13 2.765 10.003 -0.897 81 1HD2 ASN 13 1HD2 ASN 13 0.800 10.188 -2.050 82 2HD2 ASN 13 2HD2 ASN 13 -0.376 11.371 -1.737 83 H ASP 14 H ASP 14 1.439 7.603 2.511 84 HA ASP 14 HA ASP 14 0.990 5.674 0.434 85 1HB ASP 14 2HB ASP 14 -0.006 4.371 2.278 86 2HB ASP 14 1HB ASP 14 1.469 5.170 2.816 87 H GLN 15 H GLN 15 -0.780 5.335 -0.853 88 HA GLN 15 HA GLN 15 -3.363 6.667 -0.127 89 1HB GLN 15 2HB GLN 15 -1.730 7.739 -1.906 90 2HB GLN 15 1HB GLN 15 -2.373 6.479 -2.960 91 1HG GLN 15 2HG GLN 15 -4.612 7.559 -1.645 92 2HG GLN 15 1HG GLN 15 -3.622 8.947 -2.098 93 1HE2 GLN 15 1HE2 GLN 15 -3.062 9.166 -4.444 94 2HE2 GLN 15 2HE2 GLN 15 -4.047 8.431 -5.615 95 H CYS 16 H CYS 16 -2.635 3.868 0.261 96 HA CYS 16 HA CYS 16 -3.791 2.326 -1.959 97 1HB CYS 16 2HB CYS 16 -1.962 1.833 -0.023 98 2HB CYS 16 1HB CYS 16 -3.397 1.145 0.740 99 H CYS 17 H CYS 17 -5.559 0.649 -1.286 100 HA CYS 17 HA CYS 17 -7.914 2.125 -0.390 101 1HB CYS 17 2HB CYS 17 -7.444 -0.806 -1.038 102 2HB CYS 17 1HB CYS 17 -9.024 -0.042 -0.876 103 H LYS 18 H LYS 18 -8.406 2.393 1.739 104 HA LYS 18 HA LYS 18 -7.095 0.941 3.877 105 1HB LYS 18 2HB LYS 18 -8.571 2.309 5.288 106 2HB LYS 18 1HB LYS 18 -7.902 3.291 3.986 107 1HG LYS 18 2HG LYS 18 -10.059 3.895 3.604 108 2HG LYS 18 1HG LYS 18 -10.201 2.319 2.828 109 1HD LYS 18 2HD LYS 18 -10.572 1.615 5.431 110 2HD LYS 18 1HD LYS 18 -11.255 3.241 5.439 111 1HE LYS 18 2HE LYS 18 -12.053 1.586 3.114 112 2HE LYS 18 1HE LYS 18 -12.669 1.028 4.682 113 1HZ LYS 18 1HZ LYS 18 -12.837 3.812 3.646 114 2HZ LYS 18 2HZ LYS 18 -13.406 3.282 5.158 115 3HZ LYS 18 3HZ LYS 18 -14.127 2.714 3.730 116 H SER 19 H SER 19 -10.050 0.404 2.065 117 HA SER 19 HA SER 19 -11.506 -1.172 3.961 118 1HB SER 19 2HB SER 19 -12.731 -1.887 1.956 119 2HB SER 19 1HB SER 19 -12.373 -0.167 1.857 120 HG SER 19 HG SER 19 -11.696 -0.894 -0.058 121 H SER 20 H SER 20 -8.927 -2.030 1.656 122 HA SER 20 HA SER 20 -9.151 -4.904 2.392 123 1HB SER 20 2HB SER 20 -8.226 -3.294 0.159 124 2HB SER 20 1HB SER 20 -6.988 -4.449 0.645 125 HG SER 20 HG SER 20 -8.382 -5.443 -0.796 126 H ASN 21 H ASN 21 -7.925 -2.479 4.070 127 HA ASN 21 HA ASN 21 -6.116 -2.175 5.546 128 1HB ASN 21 2HB ASN 21 -7.136 -4.798 5.642 129 2HB ASN 21 1HB ASN 21 -5.383 -4.987 5.672 130 1HD2 ASN 21 1HD2 ASN 21 -8.092 -3.344 7.347 131 2HD2 ASN 21 2HD2 ASN 21 -7.258 -3.122 8.809 132 H LEU 22 H LEU 22 -5.269 -1.567 3.042 133 HA LEU 22 HA LEU 22 -2.764 -3.116 2.536 134 1HB LEU 22 2HB LEU 22 -4.377 -1.103 0.942 135 2HB LEU 22 1HB LEU 22 -2.848 -1.782 0.386 136 HG LEU 22 HG LEU 22 -5.170 -3.529 1.220 137 1HD1 LEU 22 1HD1 LEU 22 -4.473 -2.608 -1.585 138 2HD1 LEU 22 2HD1 LEU 22 -5.836 -2.000 -0.646 139 3HD1 LEU 22 3HD1 LEU 22 -5.786 -3.694 -1.132 140 1HD2 LEU 22 1HD2 LEU 22 -3.014 -4.649 1.139 141 2HD2 LEU 22 2HD2 LEU 22 -2.663 -3.946 -0.440 142 3HD2 LEU 22 3HD2 LEU 22 -3.946 -5.144 -0.273 143 H VAL 23 H VAL 23 -0.755 -2.140 2.778 144 HA VAL 23 HA VAL 23 -0.695 0.772 3.505 145 HB VAL 23 HB VAL 23 0.973 0.155 5.250 146 1HG1 VAL 23 1HG1 VAL 23 -1.531 -1.516 5.570 147 2HG1 VAL 23 2HG1 VAL 23 -1.535 0.243 5.690 148 3HG1 VAL 23 3HG1 VAL 23 -0.596 -0.716 6.834 149 1HG2 VAL 23 1HG2 VAL 23 1.759 -1.936 4.109 150 2HG2 VAL 23 2HG2 VAL 23 0.237 -2.707 4.553 151 3HG2 VAL 23 3HG2 VAL 23 1.360 -2.185 5.808 152 H CYS 24 H CYS 24 1.199 1.882 2.824 153 HA CYS 24 HA CYS 24 2.589 0.731 0.526 154 1HB CYS 24 2HB CYS 24 2.608 3.323 2.066 155 2HB CYS 24 1HB CYS 24 3.823 3.021 0.823 156 H SER 25 H SER 25 3.959 -0.953 1.162 157 HA SER 25 HA SER 25 5.628 -0.883 3.534 158 1HB SER 25 2HB SER 25 4.742 -2.904 2.313 159 2HB SER 25 1HB SER 25 5.872 -2.551 1.009 160 HG SER 25 HG SER 25 7.308 -3.544 2.163 161 H ARG 26 H ARG 26 7.965 -0.707 3.570 162 HA ARG 26 HA ARG 26 9.028 1.220 1.579 163 1HB ARG 26 2HB ARG 26 9.786 0.201 4.310 164 2HB ARG 26 1HB ARG 26 10.971 1.074 3.337 165 1HG ARG 26 2HG ARG 26 9.686 3.047 3.316 166 2HG ARG 26 1HG ARG 26 8.206 2.197 3.760 167 1HD ARG 26 2HD ARG 26 9.027 1.816 6.017 168 2HD ARG 26 1HD ARG 26 10.614 2.487 5.592 169 HE ARG 26 HE ARG 26 8.652 4.425 4.903 170 1HH1 ARG 26 1HH2 ARG 26 10.982 5.125 6.581 171 2HH1 ARG 26 2HH2 ARG 26 10.265 5.454 8.123 172 1HH2 ARG 26 2HH1 ARG 26 7.270 3.864 7.366 173 2HH2 ARG 26 1HH1 ARG 26 8.159 4.738 8.569 174 H LYS 27 H LYS 27 9.685 -2.070 2.800 175 HA LYS 27 HA LYS 27 12.126 -2.562 1.400 176 1HB LYS 27 2HB LYS 27 10.111 -3.983 2.924 177 2HB LYS 27 1HB LYS 27 10.631 -4.960 1.551 178 1HG LYS 27 2HG LYS 27 12.701 -5.291 2.417 179 2HG LYS 27 1HG LYS 27 12.844 -3.615 2.949 180 1HD LYS 27 2HD LYS 27 12.754 -4.735 4.992 181 2HD LYS 27 1HD LYS 27 11.055 -4.333 4.742 182 1HE LYS 27 2HE LYS 27 10.977 -6.666 3.505 183 2HE LYS 27 1HE LYS 27 12.422 -6.999 4.480 184 1HZ LYS 27 1HZ LYS 27 10.433 -7.577 5.717 185 2HZ LYS 27 2HZ LYS 27 9.809 -6.011 5.507 186 3HZ LYS 27 3HZ LYS 27 11.202 -6.255 6.449 187 H HIS 28 H HIS 28 8.737 -3.246 0.443 188 HA HIS 28 HA HIS 28 9.634 -3.957 -2.303 189 1HB HIS 28 2HB HIS 28 7.036 -4.106 -0.757 190 2HB HIS 28 1HB HIS 28 7.131 -4.492 -2.473 191 HD1 HIS 28 HD1 HIS 28 10.258 -5.631 -1.529 192 HD2 HIS 28 HD2 HIS 28 6.435 -7.041 -0.641 193 HE1 HIS 28 HE1 HIS 28 10.526 -8.055 -0.859 194 H ARG 29 H ARG 29 8.452 -1.214 -0.584 195 HA ARG 29 HA ARG 29 7.731 0.911 -1.288 196 1HB ARG 29 2HB ARG 29 9.637 -0.176 -3.173 197 2HB ARG 29 1HB ARG 29 8.489 0.862 -4.019 198 1HG ARG 29 2HG ARG 29 8.950 2.415 -1.870 199 2HG ARG 29 1HG ARG 29 10.492 1.559 -1.929 200 1HD ARG 29 2HD ARG 29 10.904 2.290 -4.194 201 2HD ARG 29 1HD ARG 29 9.261 2.946 -4.335 202 HE ARG 29 HE ARG 29 10.346 4.194 -2.079 203 1HH1 ARG 29 1HH2 ARG 29 12.979 4.163 -3.361 204 2HH1 ARG 29 2HH2 ARG 29 12.952 5.568 -4.374 205 1HH2 ARG 29 2HH1 ARG 29 9.494 5.898 -4.275 206 2HH2 ARG 29 1HH1 ARG 29 10.974 6.552 -4.893 207 H TRP 30 H TRP 30 5.772 -1.200 -1.423 208 HA TRP 30 HA TRP 30 3.974 -0.037 -3.472 209 1HB TRP 30 2HB TRP 30 3.590 -2.124 -4.572 210 2HB TRP 30 1HB TRP 30 5.335 -1.987 -4.417 211 HD1 TRP 30 HD1 TRP 30 4.729 -2.813 -1.082 212 HE1 TRP 30 HE1 TRP 30 4.671 -5.343 -0.621 213 HE3 TRP 30 HE3 TRP 30 4.074 -4.561 -5.836 214 HZ2 TRP 30 HZ2 TRP 30 4.390 -7.787 -2.069 215 HZ3 TRP 30 HZ3 TRP 30 3.918 -6.997 -6.264 216 HH2 TRP 30 HH2 TRP 30 4.075 -8.611 -4.389 217 H CYS 31 H CYS 31 1.799 -1.635 -3.236 218 HA CYS 31 HA CYS 31 0.911 -1.136 -0.479 219 1HB CYS 31 2HB CYS 31 -0.267 -1.960 -3.108 220 2HB CYS 31 1HB CYS 31 -1.190 -2.294 -1.643 221 H LYS 32 H LYS 32 0.815 -2.680 1.114 222 HA LYS 32 HA LYS 32 1.264 -5.546 0.333 223 1HB LYS 32 2HB LYS 32 2.985 -4.015 1.664 224 2HB LYS 32 1HB LYS 32 1.946 -4.423 3.029 225 1HG LYS 32 2HG LYS 32 2.486 -6.789 1.456 226 2HG LYS 32 1HG LYS 32 3.999 -6.010 1.919 227 1HD LYS 32 2HD LYS 32 1.807 -6.413 3.946 228 2HD LYS 32 1HD LYS 32 2.933 -7.718 3.571 229 1HE LYS 32 2HE LYS 32 4.694 -5.669 3.905 230 2HE LYS 32 1HE LYS 32 3.417 -5.179 5.035 231 1HZ LYS 32 1HZ LYS 32 4.951 -6.706 6.108 232 2HZ LYS 32 2HZ LYS 32 4.686 -7.868 4.897 233 3HZ LYS 32 3HZ LYS 32 3.425 -7.428 5.949 234 H TYR 33 H TYR 33 -0.025 -7.109 1.399 235 HA TYR 33 HA TYR 33 -2.535 -6.102 2.591 236 1HB TYR 33 2HB TYR 33 -2.079 -8.015 0.823 237 2HB TYR 33 1HB TYR 33 -1.782 -8.997 2.257 238 HD1 TYR 33 HD1 TYR 33 -4.287 -6.667 0.742 239 HD2 TYR 33 HD2 TYR 33 -3.582 -9.906 3.473 240 HE1 TYR 33 HE1 TYR 33 -6.730 -6.909 1.082 241 HE2 TYR 33 HE2 TYR 33 -6.027 -10.148 3.814 242 HH TYR 33 HH TYR 33 -8.132 -8.226 3.471 243 H GLU 34 H GLU 34 -2.091 -5.452 4.721 244 HA GLU 34 HA GLU 34 -0.561 -7.286 6.499 245 1HB GLU 34 2HB GLU 34 -1.555 -4.433 6.632 246 2HB GLU 34 1HB GLU 34 -0.892 -5.244 8.050 247 1HG GLU 34 2HG GLU 34 0.644 -5.271 5.464 248 2HG GLU 34 1HG GLU 34 0.708 -3.851 6.508 249 H ILE 35 H ILE 35 -1.876 -8.898 7.309 250 HA ILE 35 HA ILE 35 -4.218 -8.112 8.924 251 HB ILE 35 HB ILE 35 -4.992 -8.322 6.543 252 1HG1 ILE 35 1HG1 ILE 35 -6.260 -10.655 7.858 253 2HG1 ILE 35 2HG1 ILE 35 -6.210 -9.182 8.827 254 1HG2 ILE 35 1HG2 ILE 35 -3.383 -10.104 5.883 255 2HG2 ILE 35 2HG2 ILE 35 -4.252 -11.242 6.913 256 3HG2 ILE 35 3HG2 ILE 35 -5.050 -10.539 5.507 257 1HD1 ILE 35 1HD1 ILE 35 -7.277 -9.362 5.994 258 2HD1 ILE 35 2HD1 ILE 35 -8.270 -9.307 7.450 259 3HD1 ILE 35 3HD1 ILE 35 -7.272 -7.921 7.012 260 1HN NH2 36 1HN NH2 36 -2.748 -10.412 10.948 261 2HN NH2 36 2HN NH2 36 -3.061 -8.724 10.487 Start of MODEL 5 1 1H GLU 1 1H GLU 1 7.525 9.805 -0.820 2 2H GLU 1 2H GLU 1 6.404 11.005 -1.254 3 3H GLU 1 3H GLU 1 6.322 9.464 -1.967 4 HA GLU 1 HA GLU 1 5.815 10.096 0.901 5 1HB GLU 1 2HB GLU 1 4.261 10.377 -1.427 6 2HB GLU 1 1HB GLU 1 3.698 8.878 -0.689 7 1HG GLU 1 2HG GLU 1 2.374 10.471 0.395 8 2HG GLU 1 1HG GLU 1 3.710 10.279 1.530 9 H CYS 2 H CYS 2 6.769 8.391 1.980 10 HA CYS 2 HA CYS 2 6.452 5.633 0.844 11 1HB CYS 2 2HB CYS 2 8.713 6.929 1.498 12 2HB CYS 2 1HB CYS 2 8.317 6.280 3.089 13 H LEU 3 H LEU 3 4.763 4.576 1.807 14 HA LEU 3 HA LEU 3 4.134 5.170 4.676 15 1HB LEU 3 2HB LEU 3 2.531 4.047 2.358 16 2HB LEU 3 1HB LEU 3 1.912 4.160 4.005 17 HG LEU 3 HG LEU 3 2.987 6.532 2.457 18 1HD1 LEU 3 1HD1 LEU 3 0.669 7.152 2.041 19 2HD1 LEU 3 2HD1 LEU 3 0.096 5.737 2.926 20 3HD1 LEU 3 3HD1 LEU 3 0.950 5.535 1.396 21 1HD2 LEU 3 1HD2 LEU 3 1.578 6.134 5.099 22 2HD2 LEU 3 2HD2 LEU 3 1.517 7.686 4.263 23 3HD2 LEU 3 3HD2 LEU 3 3.068 7.018 4.771 24 H GLY 4 H GLY 4 4.419 3.542 6.165 25 1HA GLY 4 2HA GLY 4 5.673 1.049 5.406 26 2HA GLY 4 1HA GLY 4 5.109 1.464 7.024 27 H PHE 5 H PHE 5 4.432 -0.919 6.895 28 HA PHE 5 HA PHE 5 2.175 -1.628 5.188 29 1HB PHE 5 2HB PHE 5 3.802 -3.275 5.962 30 2HB PHE 5 1HB PHE 5 3.438 -2.891 7.644 31 HD1 PHE 5 HD1 PHE 5 1.499 -3.784 8.744 32 HD2 PHE 5 HD2 PHE 5 2.068 -4.376 4.526 33 HE1 PHE 5 HE1 PHE 5 -0.346 -5.439 8.727 34 HE2 PHE 5 HE2 PHE 5 0.221 -6.032 4.513 35 HZ PHE 5 HZ PHE 5 -0.984 -6.564 6.611 36 H GLY 6 H GLY 6 -0.006 -1.631 5.724 37 1HA GLY 6 2HA GLY 6 -1.964 -1.300 6.982 38 2HA GLY 6 1HA GLY 6 -0.974 -1.283 8.439 39 H LYS 7 H LYS 7 -0.373 0.870 5.713 40 HA LYS 7 HA LYS 7 -1.077 3.188 7.476 41 1HB LYS 7 2HB LYS 7 0.850 2.739 5.185 42 2HB LYS 7 1HB LYS 7 0.458 4.358 5.762 43 1HG LYS 7 2HG LYS 7 1.453 2.156 7.587 44 2HG LYS 7 1HG LYS 7 2.526 3.316 6.804 45 1HD LYS 7 2HD LYS 7 0.969 5.125 7.830 46 2HD LYS 7 1HD LYS 7 0.406 3.828 8.885 47 1HE LYS 7 2HE LYS 7 3.354 4.019 8.643 48 2HE LYS 7 1HE LYS 7 2.576 5.390 9.456 49 1HZ LYS 7 1HZ LYS 7 3.043 3.556 11.000 50 2HZ LYS 7 2HZ LYS 7 2.061 2.526 10.072 51 3HZ LYS 7 3HZ LYS 7 1.380 3.862 10.872 52 H GLY 8 H GLY 8 -2.736 4.524 6.821 53 1HA GLY 8 2HA GLY 8 -4.539 3.829 4.754 54 2HA GLY 8 1HA GLY 8 -4.457 5.421 5.506 55 H CYS 9 H CYS 9 -4.257 3.918 2.586 56 HA CYS 9 HA CYS 9 -2.749 6.203 1.399 57 1HB CYS 9 2HB CYS 9 -1.250 4.768 0.263 58 2HB CYS 9 1HB CYS 9 -1.364 4.048 1.867 59 H ASN 10 H ASN 10 -2.921 5.830 -1.185 60 HA ASN 10 HA ASN 10 -5.818 5.297 -1.741 61 1HB ASN 10 2HB ASN 10 -4.392 7.554 -2.090 62 2HB ASN 10 1HB ASN 10 -4.036 6.771 -3.630 63 1HD2 ASN 10 1HD2 ASN 10 -5.680 6.797 -5.224 64 2HD2 ASN 10 2HD2 ASN 10 -7.249 7.381 -4.955 65 HA PRO 11 HA PRO 11 -4.499 1.848 -4.192 66 1HB PRO 11 2HB PRO 11 -6.801 1.491 -5.636 67 2HB PRO 11 1HB PRO 11 -6.631 1.002 -3.938 68 1HG PRO 11 2HG PRO 11 -7.944 3.407 -5.093 69 2HG PRO 11 1HG PRO 11 -8.431 2.404 -3.718 70 1HD PRO 11 2HD PRO 11 -7.206 4.829 -3.456 71 2HD PRO 11 1HD PRO 11 -7.083 3.529 -2.251 72 H SER 12 H SER 12 -6.191 4.543 -5.861 73 HA SER 12 HA SER 12 -5.197 3.982 -8.500 74 1HB SER 12 2HB SER 12 -7.116 5.487 -7.786 75 2HB SER 12 1HB SER 12 -5.912 6.668 -7.277 76 HG SER 12 HG SER 12 -5.651 7.194 -9.290 77 H ASN 13 H ASN 13 -3.958 6.018 -5.847 78 HA ASN 13 HA ASN 13 -1.364 6.282 -7.335 79 1HB ASN 13 2HB ASN 13 -2.969 8.161 -5.593 80 2HB ASN 13 1HB ASN 13 -1.237 8.405 -5.819 81 1HD2 ASN 13 1HD2 ASN 13 -4.367 8.407 -7.503 82 2HD2 ASN 13 2HD2 ASN 13 -3.801 9.174 -8.907 83 H ASP 14 H ASP 14 -1.033 4.112 -6.163 84 HA ASP 14 HA ASP 14 -0.953 3.764 -3.374 85 1HB ASP 14 2HB ASP 14 0.566 1.925 -3.881 86 2HB ASP 14 1HB ASP 14 -0.643 2.035 -5.157 87 H GLN 15 H GLN 15 0.349 4.514 -1.769 88 HA GLN 15 HA GLN 15 2.870 5.959 -2.527 89 1HB GLN 15 2HB GLN 15 0.656 6.552 -0.554 90 2HB GLN 15 1HB GLN 15 2.240 7.314 -0.412 91 1HG GLN 15 2HG GLN 15 1.954 8.589 -2.304 92 2HG GLN 15 1HG GLN 15 0.955 7.373 -3.100 93 1HE2 GLN 15 1HE2 GLN 15 0.864 10.274 -1.193 94 2HE2 GLN 15 2HE2 GLN 15 -0.820 10.331 -0.982 95 H CYS 16 H CYS 16 2.381 3.082 -1.614 96 HA CYS 16 HA CYS 16 3.349 2.911 1.136 97 1HB CYS 16 2HB CYS 16 3.137 0.888 -1.120 98 2HB CYS 16 1HB CYS 16 3.423 0.490 0.572 99 H CYS 17 H CYS 17 5.425 1.537 1.528 100 HA CYS 17 HA CYS 17 7.660 2.864 0.158 101 1HB CYS 17 2HB CYS 17 7.264 0.986 2.477 102 2HB CYS 17 1HB CYS 17 8.885 1.260 1.841 103 H LYS 18 H LYS 18 8.652 2.033 -1.616 104 HA LYS 18 HA LYS 18 7.943 -0.562 -2.723 105 1HB LYS 18 2HB LYS 18 9.815 1.705 -3.366 106 2HB LYS 18 1HB LYS 18 9.951 0.191 -4.260 107 1HG LYS 18 2HG LYS 18 7.221 1.360 -3.931 108 2HG LYS 18 1HG LYS 18 8.316 2.146 -5.068 109 1HD LYS 18 2HD LYS 18 8.496 -0.697 -5.438 110 2HD LYS 18 1HD LYS 18 6.796 -0.228 -5.471 111 1HE LYS 18 2HE LYS 18 7.272 1.477 -7.185 112 2HE LYS 18 1HE LYS 18 8.995 1.056 -7.135 113 1HZ LYS 18 1HZ LYS 18 7.847 -0.151 -8.904 114 2HZ LYS 18 2HZ LYS 18 6.776 -0.823 -7.769 115 3HZ LYS 18 3HZ LYS 18 8.428 -1.219 -7.720 116 H SER 19 H SER 19 10.574 0.635 -0.700 117 HA SER 19 HA SER 19 12.511 -1.419 -1.144 118 1HB SER 19 2HB SER 19 11.791 0.392 1.166 119 2HB SER 19 1HB SER 19 13.150 -0.724 1.264 120 HG SER 19 HG SER 19 13.893 1.229 0.481 121 H SER 20 H SER 20 9.689 -1.272 1.028 122 HA SER 20 HA SER 20 10.290 -3.989 2.083 123 1HB SER 20 2HB SER 20 8.378 -3.388 3.601 124 2HB SER 20 1HB SER 20 9.696 -2.221 3.648 125 HG SER 20 HG SER 20 8.195 -0.837 3.158 126 H ASN 21 H ASN 21 9.148 -3.228 -0.754 127 HA ASN 21 HA ASN 21 7.504 -4.032 -2.238 128 1HB ASN 21 2HB ASN 21 8.536 -6.150 -0.492 129 2HB ASN 21 1HB ASN 21 6.960 -6.548 -1.174 130 1HD2 ASN 21 1HD2 ASN 21 9.548 -7.791 -1.921 131 2HD2 ASN 21 2HD2 ASN 21 9.770 -7.472 -3.573 132 H LEU 22 H LEU 22 6.099 -2.301 -0.932 133 HA LEU 22 HA LEU 22 3.782 -3.702 0.361 134 1HB LEU 22 2HB LEU 22 4.943 -0.911 0.560 135 2HB LEU 22 1HB LEU 22 3.362 -1.321 1.223 136 HG LEU 22 HG LEU 22 5.953 -2.722 1.949 137 1HD1 LEU 22 1HD1 LEU 22 4.285 -0.753 3.546 138 2HD1 LEU 22 2HD1 LEU 22 5.812 -0.362 2.755 139 3HD1 LEU 22 3HD1 LEU 22 5.777 -1.530 4.076 140 1HD2 LEU 22 1HD2 LEU 22 4.102 -4.228 2.235 141 2HD2 LEU 22 2HD2 LEU 22 3.095 -2.958 2.930 142 3HD2 LEU 22 3HD2 LEU 22 4.471 -3.587 3.836 143 H VAL 23 H VAL 23 1.765 -3.486 -0.578 144 HA VAL 23 HA VAL 23 1.527 -1.680 -2.967 145 HB VAL 23 HB VAL 23 0.084 -3.434 -3.938 146 1HG1 VAL 23 1HG1 VAL 23 2.613 -3.495 -4.182 147 2HG1 VAL 23 2HG1 VAL 23 1.794 -5.036 -4.433 148 3HG1 VAL 23 3HG1 VAL 23 2.625 -4.718 -2.911 149 1HG2 VAL 23 1HG2 VAL 23 0.274 -5.723 -2.612 150 2HG2 VAL 23 2HG2 VAL 23 -0.988 -4.560 -2.208 151 3HG2 VAL 23 3HG2 VAL 23 0.470 -4.655 -1.223 152 H CYS 24 H CYS 24 -0.330 -0.397 -3.043 153 HA CYS 24 HA CYS 24 -1.847 -0.032 -0.596 154 1HB CYS 24 2HB CYS 24 -1.687 1.127 -3.336 155 2HB CYS 24 1HB CYS 24 -3.179 1.415 -2.440 156 H SER 25 H SER 25 -3.695 -1.074 -0.002 157 HA SER 25 HA SER 25 -4.954 -3.010 -1.836 158 1HB SER 25 2HB SER 25 -4.409 -3.373 0.618 159 2HB SER 25 1HB SER 25 -5.683 -2.219 1.002 160 HG SER 25 HG SER 25 -6.189 -4.596 0.881 161 H ARG 26 H ARG 26 -6.922 -2.702 -2.841 162 HA ARG 26 HA ARG 26 -8.124 -0.024 -2.816 163 1HB ARG 26 2HB ARG 26 -9.507 -0.971 -4.608 164 2HB ARG 26 1HB ARG 26 -7.824 -1.427 -4.855 165 1HG ARG 26 2HG ARG 26 -9.202 -3.373 -3.184 166 2HG ARG 26 1HG ARG 26 -10.021 -3.166 -4.730 167 1HD ARG 26 2HD ARG 26 -7.065 -3.333 -4.907 168 2HD ARG 26 1HD ARG 26 -7.880 -4.821 -4.388 169 HE ARG 26 HE ARG 26 -9.451 -4.021 -6.484 170 1HH1 ARG 26 2HH1 ARG 26 -7.796 -6.379 -6.943 171 2HH1 ARG 26 1HH1 ARG 26 -6.721 -5.887 -8.208 172 1HH2 ARG 26 1HH2 ARG 26 -7.307 -2.494 -7.745 173 2HH2 ARG 26 2HH2 ARG 26 -6.443 -3.682 -8.663 174 H LYS 27 H LYS 27 -8.700 -3.058 -1.197 175 HA LYS 27 HA LYS 27 -11.499 -2.371 -0.496 176 1HB LYS 27 2HB LYS 27 -10.637 -4.681 -1.135 177 2HB LYS 27 1HB LYS 27 -9.762 -4.693 0.396 178 1HG LYS 27 2HG LYS 27 -11.863 -4.413 1.629 179 2HG LYS 27 1HG LYS 27 -12.759 -4.329 0.112 180 1HD LYS 27 2HD LYS 27 -12.025 -6.615 -0.454 181 2HD LYS 27 1HD LYS 27 -11.132 -6.704 1.064 182 1HE LYS 27 2HE LYS 27 -13.801 -5.867 1.681 183 2HE LYS 27 1HE LYS 27 -13.898 -7.294 0.631 184 1HZ LYS 27 1HZ LYS 27 -12.193 -7.037 3.056 185 2HZ LYS 27 2HZ LYS 27 -12.256 -8.393 2.034 186 3HZ LYS 27 3HZ LYS 27 -13.618 -7.949 2.946 187 H HIS 28 H HIS 28 -8.332 -2.842 1.101 188 HA HIS 28 HA HIS 28 -9.413 -1.933 3.701 189 1HB HIS 28 2HB HIS 28 -6.765 -2.961 2.661 190 2HB HIS 28 1HB HIS 28 -6.947 -2.369 4.312 191 HD1 HIS 28 HD1 HIS 28 -8.115 -3.882 5.985 192 HD2 HIS 28 HD2 HIS 28 -8.395 -5.307 2.078 193 HE1 HIS 28 HE1 HIS 28 -9.119 -6.202 6.139 194 H ARG 29 H ARG 29 -7.997 -0.486 0.923 195 HA ARG 29 HA ARG 29 -7.139 1.666 0.501 196 1HB ARG 29 2HB ARG 29 -8.949 1.947 2.898 197 2HB ARG 29 1HB ARG 29 -8.121 3.357 2.238 198 1HG ARG 29 2HG ARG 29 -9.219 3.174 0.153 199 2HG ARG 29 1HG ARG 29 -9.704 1.505 0.457 200 1HD ARG 29 2HD ARG 29 -11.080 2.450 2.436 201 2HD ARG 29 1HD ARG 29 -10.846 4.032 1.665 202 HE ARG 29 HE ARG 29 -11.989 3.170 -0.328 203 1HH1 ARG 29 1HH2 ARG 29 -14.077 2.703 1.689 204 2HH1 ARG 29 2HH2 ARG 29 -14.459 1.025 1.486 205 1HH2 ARG 29 2HH1 ARG 29 -11.556 0.307 -0.284 206 2HH2 ARG 29 1HH1 ARG 29 -13.027 -0.335 0.366 207 H TRP 30 H TRP 30 -5.301 -0.035 1.844 208 HA TRP 30 HA TRP 30 -3.697 2.000 3.285 209 1HB TRP 30 2HB TRP 30 -3.422 0.615 5.237 210 2HB TRP 30 1HB TRP 30 -5.146 0.730 4.918 211 HD1 TRP 30 HD1 TRP 30 -4.266 -1.562 2.368 212 HE1 TRP 30 HE1 TRP 30 -4.423 -4.019 3.118 213 HE3 TRP 30 HE3 TRP 30 -4.355 -0.928 7.430 214 HZ2 TRP 30 HZ2 TRP 30 -4.569 -5.521 5.544 215 HZ3 TRP 30 HZ3 TRP 30 -4.505 -2.888 8.938 216 HH2 TRP 30 HH2 TRP 30 -4.612 -5.183 8.003 217 H CYS 31 H CYS 31 -1.531 0.573 4.036 218 HA CYS 31 HA CYS 31 -0.444 -0.378 1.445 219 1HB CYS 31 2HB CYS 31 0.643 0.524 4.105 220 2HB CYS 31 1HB CYS 31 1.689 -0.312 2.958 221 H LYS 32 H LYS 32 -0.711 -2.535 1.063 222 HA LYS 32 HA LYS 32 -0.646 -4.465 3.339 223 1HB LYS 32 2HB LYS 32 -2.312 -4.151 1.191 224 2HB LYS 32 1HB LYS 32 -1.187 -5.356 0.566 225 1HG LYS 32 2HG LYS 32 -1.577 -6.504 2.907 226 2HG LYS 32 1HG LYS 32 -3.059 -5.547 2.904 227 1HD LYS 32 2HD LYS 32 -3.948 -6.670 1.077 228 2HD LYS 32 1HD LYS 32 -2.361 -7.111 0.446 229 1HE LYS 32 2HE LYS 32 -2.825 -9.169 1.339 230 2HE LYS 32 1HE LYS 32 -2.385 -8.414 2.883 231 1HZ LYS 32 1HZ LYS 32 -5.105 -8.462 1.678 232 2HZ LYS 32 2HZ LYS 32 -4.689 -7.680 3.128 233 3HZ LYS 32 3HZ LYS 32 -4.599 -9.372 3.015 234 H TYR 33 H TYR 33 0.520 -6.618 2.723 235 HA TYR 33 HA TYR 33 3.187 -5.931 1.554 236 1HB TYR 33 2HB TYR 33 2.896 -6.742 3.941 237 2HB TYR 33 1HB TYR 33 2.360 -8.286 3.277 238 HD1 TYR 33 HD1 TYR 33 3.916 -9.870 2.405 239 HD2 TYR 33 HD2 TYR 33 5.211 -5.894 3.392 240 HE1 TYR 33 HE1 TYR 33 6.278 -10.564 2.106 241 HE2 TYR 33 HE2 TYR 33 7.572 -6.589 3.093 242 HH TYR 33 HH TYR 33 8.634 -8.852 1.496 243 H GLU 34 H GLU 34 4.154 -7.385 0.031 244 HA GLU 34 HA GLU 34 2.281 -8.724 -1.772 245 1HB GLU 34 2HB GLU 34 5.140 -7.950 -1.641 246 2HB GLU 34 1HB GLU 34 4.802 -9.381 -2.614 247 1HG GLU 34 2HG GLU 34 3.536 -8.211 -4.153 248 2HG GLU 34 1HG GLU 34 3.035 -6.995 -2.977 249 H ILE 35 H ILE 35 1.463 -10.692 -1.112 250 HA ILE 35 HA ILE 35 3.143 -12.553 0.476 251 HB ILE 35 HB ILE 35 0.254 -12.625 -0.469 252 1HG1 ILE 35 1HG1 ILE 35 0.531 -12.430 2.363 253 2HG1 ILE 35 2HG1 ILE 35 1.584 -11.207 1.652 254 1HG2 ILE 35 1HG2 ILE 35 1.796 -14.413 1.434 255 2HG2 ILE 35 2HG2 ILE 35 0.038 -14.404 1.302 256 3HG2 ILE 35 3HG2 ILE 35 1.023 -14.889 -0.078 257 1HD1 ILE 35 1HD1 ILE 35 -0.311 -10.402 0.268 258 2HD1 ILE 35 2HD1 ILE 35 -1.359 -11.598 1.030 259 3HD1 ILE 35 3HD1 ILE 35 -0.669 -10.290 1.991 260 1HN NH2 36 1HN NH2 36 3.205 -13.086 -3.409 261 2HN NH2 36 2HN NH2 36 2.923 -11.628 -2.433 Start of MODEL 6 1 1H GLU 1 1H GLU 1 4.362 10.135 4.353 2 2H GLU 1 2H GLU 1 5.080 11.483 3.610 3 3H GLU 1 3H GLU 1 5.956 10.563 4.740 4 HA GLU 1 HA GLU 1 5.032 9.614 2.071 5 1HB GLU 1 2HB GLU 1 7.442 10.943 3.172 6 2HB GLU 1 1HB GLU 1 7.765 9.555 2.132 7 1HG GLU 1 2HG GLU 1 5.691 11.099 0.913 8 2HG GLU 1 1HG GLU 1 6.998 12.198 1.355 9 H CYS 2 H CYS 2 5.601 7.425 1.633 10 HA CYS 2 HA CYS 2 6.011 5.161 2.127 11 1HB CYS 2 2HB CYS 2 8.174 6.502 2.881 12 2HB CYS 2 1HB CYS 2 7.642 6.029 4.493 13 H LEU 3 H LEU 3 3.923 4.568 2.818 14 HA LEU 3 HA LEU 3 3.167 4.987 5.664 15 1HB LEU 3 2HB LEU 3 1.739 3.911 3.210 16 2HB LEU 3 1HB LEU 3 0.985 4.047 4.798 17 HG LEU 3 HG LEU 3 2.226 6.375 3.300 18 1HD1 LEU 3 1HD1 LEU 3 -0.708 5.712 3.673 19 2HD1 LEU 3 2HD1 LEU 3 0.191 5.400 2.187 20 3HD1 LEU 3 3HD1 LEU 3 -0.032 7.056 2.753 21 1HD2 LEU 3 1HD2 LEU 3 0.804 7.646 5.007 22 2HD2 LEU 3 2HD2 LEU 3 2.220 6.817 5.653 23 3HD2 LEU 3 3HD2 LEU 3 0.617 6.110 5.852 24 H GLY 4 H GLY 4 2.789 3.214 7.084 25 1HA GLY 4 2HA GLY 4 4.361 0.823 6.577 26 2HA GLY 4 1HA GLY 4 3.373 1.124 8.005 27 H PHE 5 H PHE 5 3.108 -1.364 7.309 28 HA PHE 5 HA PHE 5 1.260 -1.961 5.159 29 1HB PHE 5 2HB PHE 5 2.783 -3.631 6.014 30 2HB PHE 5 1HB PHE 5 2.177 -3.419 7.656 31 HD1 PHE 5 HD1 PHE 5 0.409 -4.755 8.448 32 HD2 PHE 5 HD2 PHE 5 1.072 -4.420 4.216 33 HE1 PHE 5 HE1 PHE 5 -1.322 -6.483 8.038 34 HE2 PHE 5 HE2 PHE 5 -0.659 -6.148 3.810 35 HZ PHE 5 HZ PHE 5 -1.855 -7.179 5.719 36 H GLY 6 H GLY 6 -0.983 -2.135 5.227 37 1HA GLY 6 2HA GLY 6 -3.167 -2.080 6.099 38 2HA GLY 6 1HA GLY 6 -2.482 -2.177 7.719 39 H LYS 7 H LYS 7 -1.590 0.310 5.369 40 HA LYS 7 HA LYS 7 -2.710 2.365 7.229 41 1HB LYS 7 2HB LYS 7 -0.204 2.028 6.283 42 2HB LYS 7 1HB LYS 7 -0.858 3.030 4.987 43 1HG LYS 7 2HG LYS 7 -0.057 4.631 6.492 44 2HG LYS 7 1HG LYS 7 -1.758 4.518 6.943 45 1HD LYS 7 2HD LYS 7 -0.409 2.489 8.391 46 2HD LYS 7 1HD LYS 7 0.569 3.949 8.545 47 1HE LYS 7 2HE LYS 7 -1.276 5.204 9.440 48 2HE LYS 7 1HE LYS 7 -2.430 3.924 9.016 49 1HZ LYS 7 1HZ LYS 7 -0.139 3.612 10.888 50 2HZ LYS 7 2HZ LYS 7 -1.278 2.414 10.492 51 3HZ LYS 7 3HZ LYS 7 -1.759 3.796 11.356 52 H GLY 8 H GLY 8 -4.505 3.460 6.542 53 1HA GLY 8 2HA GLY 8 -5.906 2.939 4.155 54 2HA GLY 8 1HA GLY 8 -6.130 4.390 5.130 55 H CYS 9 H CYS 9 -5.176 3.288 2.114 56 HA CYS 9 HA CYS 9 -4.095 5.968 1.410 57 1HB CYS 9 2HB CYS 9 -2.082 5.038 0.476 58 2HB CYS 9 1HB CYS 9 -2.242 4.358 2.094 59 H ASN 10 H ASN 10 -3.790 6.050 -1.086 60 HA ASN 10 HA ASN 10 -6.181 4.799 -2.347 61 1HB ASN 10 2HB ASN 10 -4.467 7.211 -2.724 62 2HB ASN 10 1HB ASN 10 -5.223 6.541 -4.169 63 1HD2 ASN 10 1HD2 ASN 10 -7.396 7.090 -4.519 64 2HD2 ASN 10 2HD2 ASN 10 -8.404 7.806 -3.356 65 HA PRO 11 HA PRO 11 -3.622 1.943 -4.565 66 1HB PRO 11 2HB PRO 11 -5.355 1.342 -6.601 67 2HB PRO 11 1HB PRO 11 -5.532 0.706 -4.953 68 1HG PRO 11 2HG PRO 11 -6.946 2.976 -6.268 69 2HG PRO 11 1HG PRO 11 -7.577 1.736 -5.173 70 1HD PRO 11 2HD PRO 11 -6.996 4.260 -4.363 71 2HD PRO 11 1HD PRO 11 -6.875 2.846 -3.291 72 H SER 12 H SER 12 -5.228 4.602 -6.312 73 HA SER 12 HA SER 12 -3.619 4.469 -8.707 74 1HB SER 12 2HB SER 12 -5.875 5.626 -8.244 75 2HB SER 12 1HB SER 12 -4.933 6.916 -7.501 76 HG SER 12 HG SER 12 -5.395 7.206 -9.775 77 H ASN 13 H ASN 13 -3.366 6.397 -5.707 78 HA ASN 13 HA ASN 13 -0.940 7.778 -6.568 79 1HB ASN 13 2HB ASN 13 -2.728 8.653 -5.020 80 2HB ASN 13 1HB ASN 13 -2.181 7.484 -3.817 81 1HD2 ASN 13 1HD2 ASN 13 -0.540 8.203 -2.440 82 2HD2 ASN 13 2HD2 ASN 13 0.472 9.530 -2.751 83 H ASP 14 H ASP 14 -1.692 5.153 -4.277 84 HA ASP 14 HA ASP 14 -0.328 3.503 -3.302 85 1HB ASP 14 2HB ASP 14 0.116 3.468 -5.913 86 2HB ASP 14 1HB ASP 14 1.709 4.054 -5.437 87 H GLN 15 H GLN 15 0.061 5.044 -1.490 88 HA GLN 15 HA GLN 15 2.762 6.329 -1.517 89 1HB GLN 15 2HB GLN 15 0.155 7.054 -0.633 90 2HB GLN 15 1HB GLN 15 1.158 6.894 0.808 91 1HG GLN 15 2HG GLN 15 2.048 8.450 -1.629 92 2HG GLN 15 1HG GLN 15 1.167 9.195 -0.296 93 1HE2 GLN 15 1HE2 GLN 15 4.257 8.805 -1.394 94 2HE2 GLN 15 2HE2 GLN 15 5.095 8.815 0.081 95 H CYS 16 H CYS 16 1.973 3.340 -0.951 96 HA CYS 16 HA CYS 16 2.557 2.892 1.862 97 1HB CYS 16 2HB CYS 16 2.563 1.134 -0.612 98 2HB CYS 16 1HB CYS 16 2.745 0.515 1.029 99 H CYS 17 H CYS 17 4.507 1.477 2.477 100 HA CYS 17 HA CYS 17 6.968 2.800 1.597 101 1HB CYS 17 2HB CYS 17 6.081 0.832 3.667 102 2HB CYS 17 1HB CYS 17 7.795 0.862 3.260 103 H LYS 18 H LYS 18 7.753 2.172 -0.394 104 HA LYS 18 HA LYS 18 7.361 -0.448 -1.557 105 1HB LYS 18 2HB LYS 18 8.932 0.426 -3.261 106 2HB LYS 18 1HB LYS 18 7.715 1.630 -2.845 107 1HG LYS 18 2HG LYS 18 9.429 3.048 -2.453 108 2HG LYS 18 1HG LYS 18 9.766 2.094 -1.009 109 1HD LYS 18 2HD LYS 18 11.460 0.869 -2.050 110 2HD LYS 18 1HD LYS 18 10.831 1.185 -3.667 111 1HE LYS 18 2HE LYS 18 11.517 3.548 -3.494 112 2HE LYS 18 1HE LYS 18 12.133 3.252 -1.856 113 1HZ LYS 18 1HZ LYS 18 13.011 1.807 -4.304 114 2HZ LYS 18 2HZ LYS 18 13.609 1.564 -2.732 115 3HZ LYS 18 3HZ LYS 18 13.889 3.036 -3.533 116 H SER 19 H SER 19 9.786 0.876 0.608 117 HA SER 19 HA SER 19 11.924 -0.975 0.091 118 1HB SER 19 2HB SER 19 11.882 1.243 1.393 119 2HB SER 19 1HB SER 19 11.220 0.316 2.737 120 HG SER 19 HG SER 19 13.767 0.462 1.806 121 H SER 20 H SER 20 9.010 -1.166 2.106 122 HA SER 20 HA SER 20 9.866 -3.831 3.146 123 1HB SER 20 2HB SER 20 9.009 -1.854 4.576 124 2HB SER 20 1HB SER 20 7.422 -2.218 3.906 125 HG SER 20 HG SER 20 9.001 -3.649 5.694 126 H ASN 21 H ASN 21 8.836 -3.240 0.331 127 HA ASN 21 HA ASN 21 7.354 -4.191 -1.232 128 1HB ASN 21 2HB ASN 21 7.916 -6.177 0.910 129 2HB ASN 21 1HB ASN 21 6.578 -6.564 -0.171 130 1HD2 ASN 21 1HD2 ASN 21 7.081 -6.686 -2.533 131 2HD2 ASN 21 2HD2 ASN 21 8.671 -7.000 -3.039 132 H LEU 22 H LEU 22 5.874 -2.303 -0.398 133 HA LEU 22 HA LEU 22 3.293 -3.514 0.534 134 1HB LEU 22 2HB LEU 22 4.711 -0.993 1.437 135 2HB LEU 22 1HB LEU 22 3.008 -1.295 1.775 136 HG LEU 22 HG LEU 22 5.209 -3.234 2.527 137 1HD1 LEU 22 1HD1 LEU 22 5.086 -2.326 4.780 138 2HD1 LEU 22 2HD1 LEU 22 3.829 -1.190 4.290 139 3HD1 LEU 22 3HD1 LEU 22 5.468 -1.016 3.663 140 1HD2 LEU 22 1HD2 LEU 22 2.295 -2.929 3.322 141 2HD2 LEU 22 2HD2 LEU 22 3.416 -4.059 4.083 142 3HD2 LEU 22 3HD2 LEU 22 2.998 -4.243 2.379 143 H VAL 23 H VAL 23 1.559 -2.918 -0.728 144 HA VAL 23 HA VAL 23 1.834 -0.530 -2.518 145 HB VAL 23 HB VAL 23 0.752 -1.982 -4.300 146 1HG1 VAL 23 1HG1 VAL 23 2.854 -3.152 -4.869 147 2HG1 VAL 23 2HG1 VAL 23 3.445 -2.877 -3.231 148 3HG1 VAL 23 3HG1 VAL 23 3.165 -1.509 -4.307 149 1HG2 VAL 23 1HG2 VAL 23 1.587 -4.266 -2.488 150 2HG2 VAL 23 2HG2 VAL 23 0.735 -4.375 -4.028 151 3HG2 VAL 23 3HG2 VAL 23 -0.077 -3.699 -2.617 152 H CYS 24 H CYS 24 -0.122 0.576 -2.879 153 HA CYS 24 HA CYS 24 -2.221 0.249 -0.923 154 1HB CYS 24 2HB CYS 24 -1.780 1.899 -3.406 155 2HB CYS 24 1HB CYS 24 -3.306 1.985 -2.526 156 H SER 25 H SER 25 -4.197 -0.782 -1.110 157 HA SER 25 HA SER 25 -4.687 -2.356 -3.612 158 1HB SER 25 2HB SER 25 -5.437 -2.667 -0.695 159 2HB SER 25 1HB SER 25 -6.168 -3.656 -1.957 160 HG SER 25 HG SER 25 -4.441 -4.826 -1.499 161 H ARG 26 H ARG 26 -6.814 -2.331 -4.528 162 HA ARG 26 HA ARG 26 -8.347 0.142 -4.015 163 1HB ARG 26 2HB ARG 26 -9.453 -0.440 -6.082 164 2HB ARG 26 1HB ARG 26 -7.738 -0.780 -6.294 165 1HG ARG 26 2HG ARG 26 -8.213 -3.181 -5.687 166 2HG ARG 26 1HG ARG 26 -9.932 -2.787 -5.700 167 1HD ARG 26 2HD ARG 26 -9.593 -1.927 -8.085 168 2HD ARG 26 1HD ARG 26 -7.998 -2.705 -8.032 169 HE ARG 26 HE ARG 26 -9.085 -4.853 -7.829 170 1HH1 ARG 26 1HH2 ARG 26 -10.781 -3.572 -9.996 171 2HH1 ARG 26 2HH2 ARG 26 -12.381 -3.915 -9.429 172 1HH2 ARG 26 2HH1 ARG 26 -11.356 -4.702 -6.203 173 2HH2 ARG 26 1HH1 ARG 26 -12.708 -4.557 -7.276 174 H LYS 27 H LYS 27 -8.713 -3.358 -3.548 175 HA LYS 27 HA LYS 27 -11.528 -3.205 -2.767 176 1HB LYS 27 2HB LYS 27 -9.557 -5.165 -3.424 177 2HB LYS 27 1HB LYS 27 -10.168 -5.556 -1.816 178 1HG LYS 27 2HG LYS 27 -12.493 -4.939 -3.111 179 2HG LYS 27 1HG LYS 27 -11.551 -5.636 -4.429 180 1HD LYS 27 2HD LYS 27 -11.269 -7.696 -3.293 181 2HD LYS 27 1HD LYS 27 -11.755 -7.003 -1.745 182 1HE LYS 27 2HE LYS 27 -14.051 -6.574 -2.818 183 2HE LYS 27 1HE LYS 27 -13.514 -7.645 -4.127 184 1HZ LYS 27 1HZ LYS 27 -12.989 -9.342 -2.492 185 2HZ LYS 27 2HZ LYS 27 -14.622 -8.894 -2.359 186 3HZ LYS 27 3HZ LYS 27 -13.489 -8.323 -1.230 187 H HIS 28 H HIS 28 -8.395 -3.402 -1.063 188 HA HIS 28 HA HIS 28 -9.759 -3.288 1.578 189 1HB HIS 28 2HB HIS 28 -6.835 -3.478 0.780 190 2HB HIS 28 1HB HIS 28 -7.466 -3.674 2.414 191 HD1 HIS 28 HD1 HIS 28 -6.897 -5.496 -0.739 192 HD2 HIS 28 HD2 HIS 28 -9.156 -6.055 2.719 193 HE1 HIS 28 HE1 HIS 28 -7.600 -7.929 -0.728 194 H ARG 29 H ARG 29 -8.109 -1.184 -0.677 195 HA ARG 29 HA ARG 29 -7.631 1.118 -0.608 196 1HB ARG 29 2HB ARG 29 -9.992 0.580 0.917 197 2HB ARG 29 1HB ARG 29 -9.090 1.848 1.746 198 1HG ARG 29 2HG ARG 29 -10.050 3.258 0.252 199 2HG ARG 29 1HG ARG 29 -8.875 2.612 -0.894 200 1HD ARG 29 2HD ARG 29 -10.755 0.686 -1.103 201 2HD ARG 29 1HD ARG 29 -11.795 2.060 -0.675 202 HE ARG 29 HE ARG 29 -10.160 1.833 -3.121 203 1HH1 ARG 29 2HH1 ARG 29 -13.036 2.806 -2.959 204 2HH1 ARG 29 1HH1 ARG 29 -12.836 4.507 -3.217 205 1HH2 ARG 29 1HH2 ARG 29 -9.418 4.472 -2.590 206 2HH2 ARG 29 2HH2 ARG 29 -10.784 5.453 -3.008 207 H TRP 30 H TRP 30 -5.804 -0.674 0.793 208 HA TRP 30 HA TRP 30 -4.568 1.310 2.613 209 1HB TRP 30 2HB TRP 30 -4.519 -0.179 4.493 210 2HB TRP 30 1HB TRP 30 -6.173 -0.187 3.898 211 HD1 TRP 30 HD1 TRP 30 -4.819 -2.189 1.369 212 HE1 TRP 30 HE1 TRP 30 -4.802 -4.699 1.929 213 HE3 TRP 30 HE3 TRP 30 -5.452 -1.974 6.434 214 HZ2 TRP 30 HZ2 TRP 30 -5.030 -6.399 4.212 215 HZ3 TRP 30 HZ3 TRP 30 -5.551 -4.057 7.773 216 HH2 TRP 30 HH2 TRP 30 -5.341 -6.267 6.670 217 H CYS 31 H CYS 31 -2.472 -0.129 3.596 218 HA CYS 31 HA CYS 31 -0.898 -0.705 1.164 219 1HB CYS 31 2HB CYS 31 -0.321 -0.423 4.122 220 2HB CYS 31 1HB CYS 31 0.925 -0.904 2.972 221 H LYS 32 H LYS 32 -0.740 -2.757 0.390 222 HA LYS 32 HA LYS 32 -1.181 -5.055 2.271 223 1HB LYS 32 2HB LYS 32 -2.869 -4.665 0.473 224 2HB LYS 32 1HB LYS 32 -1.591 -4.822 -0.731 225 1HG LYS 32 2HG LYS 32 -1.990 -7.040 -0.739 226 2HG LYS 32 1HG LYS 32 -1.325 -7.096 0.893 227 1HD LYS 32 2HD LYS 32 -3.354 -7.522 1.771 228 2HD LYS 32 1HD LYS 32 -4.050 -6.123 0.957 229 1HE LYS 32 2HE LYS 32 -5.262 -7.890 -0.013 230 2HE LYS 32 1HE LYS 32 -3.940 -7.691 -1.179 231 1HZ LYS 32 1HZ LYS 32 -3.898 -9.543 1.150 232 2HZ LYS 32 2HZ LYS 32 -2.672 -9.369 -0.015 233 3HZ LYS 32 3HZ LYS 32 -4.182 -10.012 -0.455 234 H TYR 33 H TYR 33 0.335 -6.767 2.205 235 HA TYR 33 HA TYR 33 2.994 -6.128 1.160 236 1HB TYR 33 2HB TYR 33 2.163 -7.420 3.320 237 2HB TYR 33 1HB TYR 33 2.176 -8.811 2.235 238 HD1 TYR 33 HD1 TYR 33 4.216 -6.333 4.000 239 HD2 TYR 33 HD2 TYR 33 4.280 -9.560 1.164 240 HE1 TYR 33 HE1 TYR 33 6.677 -6.503 4.249 241 HE2 TYR 33 HE2 TYR 33 6.741 -9.730 1.414 242 HH TYR 33 HH TYR 33 8.422 -8.833 3.704 243 H GLU 34 H GLU 34 4.036 -7.140 -0.586 244 HA GLU 34 HA GLU 34 2.310 -8.355 -2.630 245 1HB GLU 34 2HB GLU 34 5.185 -7.487 -2.371 246 2HB GLU 34 1HB GLU 34 4.667 -8.428 -3.771 247 1HG GLU 34 2HG GLU 34 3.388 -6.721 -4.620 248 2HG GLU 34 1HG GLU 34 2.961 -6.105 -3.023 249 H ILE 35 H ILE 35 1.944 -10.526 -2.739 250 HA ILE 35 HA ILE 35 3.624 -12.401 -1.183 251 HB ILE 35 HB ILE 35 1.082 -12.359 -1.258 252 1HG1 ILE 35 1HG1 ILE 35 1.789 -15.051 -2.257 253 2HG1 ILE 35 2HG1 ILE 35 2.819 -14.451 -0.957 254 1HG2 ILE 35 1HG2 ILE 35 1.061 -12.001 -3.794 255 2HG2 ILE 35 2HG2 ILE 35 1.432 -13.718 -3.938 256 3HG2 ILE 35 3HG2 ILE 35 -0.069 -13.202 -3.170 257 1HD1 ILE 35 1HD1 ILE 35 -0.209 -14.428 -0.839 258 2HD1 ILE 35 2HD1 ILE 35 0.786 -15.713 -0.155 259 3HD1 ILE 35 3HD1 ILE 35 0.910 -14.071 0.476 260 1HN NH2 36 1HN NH2 36 5.796 -13.292 -3.586 261 2HN NH2 36 2HN NH2 36 5.384 -12.633 -1.987 Start of MODEL 7 1 1H GLU 1 1H GLU 1 7.528 11.175 0.488 2 2H GLU 1 2H GLU 1 8.791 10.100 0.854 3 3H GLU 1 3H GLU 1 8.737 11.630 1.588 4 HA GLU 1 HA GLU 1 8.005 9.950 3.162 5 1HB GLU 1 2HB GLU 1 6.911 12.359 2.558 6 2HB GLU 1 1HB GLU 1 5.492 11.330 2.370 7 1HG GLU 1 2HG GLU 1 5.737 10.469 4.619 8 2HG GLU 1 1HG GLU 1 7.281 11.301 4.814 9 H CYS 2 H CYS 2 7.213 7.883 3.275 10 HA CYS 2 HA CYS 2 5.138 7.038 1.274 11 1HB CYS 2 2HB CYS 2 6.342 4.951 1.046 12 2HB CYS 2 1HB CYS 2 7.505 6.259 0.839 13 H LEU 3 H LEU 3 3.921 5.060 2.037 14 HA LEU 3 HA LEU 3 3.292 5.310 4.938 15 1HB LEU 3 2HB LEU 3 1.925 4.107 2.515 16 2HB LEU 3 1HB LEU 3 1.293 3.914 4.149 17 HG LEU 3 HG LEU 3 1.948 6.642 3.035 18 1HD1 LEU 3 1HD1 LEU 3 -0.237 6.871 2.159 19 2HD1 LEU 3 2HD1 LEU 3 -0.813 5.422 2.984 20 3HD1 LEU 3 3HD1 LEU 3 0.276 5.277 1.604 21 1HD2 LEU 3 1HD2 LEU 3 1.493 6.067 5.543 22 2HD2 LEU 3 2HD2 LEU 3 -0.186 5.897 5.032 23 3HD2 LEU 3 3HD2 LEU 3 0.646 7.438 4.829 24 H GLY 4 H GLY 4 3.479 3.544 6.348 25 1HA GLY 4 2HA GLY 4 5.313 1.413 5.574 26 2HA GLY 4 1HA GLY 4 4.557 1.606 7.156 27 H PHE 5 H PHE 5 4.038 -0.667 7.210 28 HA PHE 5 HA PHE 5 2.233 -1.758 5.137 29 1HB PHE 5 2HB PHE 5 4.009 -3.149 6.034 30 2HB PHE 5 1HB PHE 5 3.476 -2.841 7.686 31 HD1 PHE 5 HD1 PHE 5 1.911 -3.974 4.452 32 HD2 PHE 5 HD2 PHE 5 2.303 -4.572 8.689 33 HE1 PHE 5 HE1 PHE 5 0.362 -5.905 4.325 34 HE2 PHE 5 HE2 PHE 5 0.755 -6.504 8.559 35 HZ PHE 5 HZ PHE 5 -0.216 -7.170 6.376 36 H GLY 6 H GLY 6 0.036 -1.708 5.331 37 1HA GLY 6 2HA GLY 6 -2.082 -1.795 6.384 38 2HA GLY 6 1HA GLY 6 -1.274 -1.818 7.951 39 H LYS 7 H LYS 7 -0.835 0.577 5.360 40 HA LYS 7 HA LYS 7 -1.841 2.679 7.250 41 1HB LYS 7 2HB LYS 7 0.466 2.400 5.397 42 2HB LYS 7 1HB LYS 7 -0.297 3.990 5.432 43 1HG LYS 7 2HG LYS 7 1.201 4.239 7.179 44 2HG LYS 7 1HG LYS 7 -0.185 3.600 8.062 45 1HD LYS 7 2HD LYS 7 1.158 1.331 7.108 46 2HD LYS 7 1HD LYS 7 2.436 2.413 7.658 47 1HE LYS 7 2HE LYS 7 0.922 2.728 9.776 48 2HE LYS 7 1HE LYS 7 0.181 1.204 9.246 49 1HZ LYS 7 1HZ LYS 7 2.389 0.221 9.102 50 2HZ LYS 7 2HZ LYS 7 2.088 0.780 10.677 51 3HZ LYS 7 3HZ LYS 7 3.093 1.670 9.636 52 H GLY 8 H GLY 8 -3.567 3.892 6.545 53 1HA GLY 8 2HA GLY 8 -5.149 3.199 4.324 54 2HA GLY 8 1HA GLY 8 -5.231 4.760 5.138 55 H CYS 9 H CYS 9 -4.689 3.364 2.195 56 HA CYS 9 HA CYS 9 -3.289 5.804 1.191 57 1HB CYS 9 2HB CYS 9 -1.627 4.511 0.105 58 2HB CYS 9 1HB CYS 9 -1.787 3.740 1.681 59 H ASN 10 H ASN 10 -3.286 5.569 -1.397 60 HA ASN 10 HA ASN 10 -6.088 4.849 -2.173 61 1HB ASN 10 2HB ASN 10 -4.018 6.835 -3.105 62 2HB ASN 10 1HB ASN 10 -5.376 6.409 -4.146 63 1HD2 ASN 10 1HD2 ASN 10 -5.338 9.032 -3.362 64 2HD2 ASN 10 2HD2 ASN 10 -6.494 9.331 -2.155 65 HA PRO 11 HA PRO 11 -4.403 1.602 -4.675 66 1HB PRO 11 2HB PRO 11 -6.548 1.208 -6.328 67 2HB PRO 11 1HB PRO 11 -6.514 0.659 -4.640 68 1HG PRO 11 2HG PRO 11 -7.815 3.059 -5.823 69 2HG PRO 11 1HG PRO 11 -8.391 1.977 -4.545 70 1HD PRO 11 2HD PRO 11 -7.300 4.432 -4.065 71 2HD PRO 11 1HD PRO 11 -7.237 3.084 -2.908 72 H SER 12 H SER 12 -5.712 4.571 -6.063 73 HA SER 12 HA SER 12 -4.514 4.078 -8.719 74 1HB SER 12 2HB SER 12 -5.527 6.346 -9.139 75 2HB SER 12 1HB SER 12 -6.684 5.157 -8.549 76 HG SER 12 HG SER 12 -5.688 7.444 -7.352 77 H ASN 13 H ASN 13 -4.006 6.267 -5.927 78 HA ASN 13 HA ASN 13 -1.682 7.560 -7.167 79 1HB ASN 13 2HB ASN 13 -3.501 8.312 -5.334 80 2HB ASN 13 1HB ASN 13 -2.258 7.704 -4.240 81 1HD2 ASN 13 1HD2 ASN 13 -2.925 10.160 -6.729 82 2HD2 ASN 13 2HD2 ASN 13 -1.572 11.124 -6.380 83 H ASP 14 H ASP 14 -2.266 5.064 -4.717 84 HA ASP 14 HA ASP 14 -0.829 3.519 -3.683 85 1HB ASP 14 2HB ASP 14 -0.062 3.896 -6.445 86 2HB ASP 14 1HB ASP 14 1.364 3.524 -5.476 87 H GLN 15 H GLN 15 -0.384 5.012 -1.911 88 HA GLN 15 HA GLN 15 2.191 6.520 -2.094 89 1HB GLN 15 2HB GLN 15 -0.229 6.586 -0.278 90 2HB GLN 15 1HB GLN 15 1.238 7.498 0.079 91 1HG GLN 15 2HG GLN 15 1.060 8.642 -2.104 92 2HG GLN 15 1HG GLN 15 -0.411 7.735 -2.457 93 1HE2 GLN 15 1HE2 GLN 15 -2.280 8.090 -0.881 94 2HE2 GLN 15 2HE2 GLN 15 -2.416 9.604 -0.127 95 H CYS 16 H CYS 16 1.870 3.483 -1.632 96 HA CYS 16 HA CYS 16 2.731 3.091 1.156 97 1HB CYS 16 2HB CYS 16 2.493 1.286 -1.273 98 2HB CYS 16 1HB CYS 16 2.897 0.713 0.344 99 H CYS 17 H CYS 17 4.842 1.972 1.608 100 HA CYS 17 HA CYS 17 7.035 3.273 0.139 101 1HB CYS 17 2HB CYS 17 6.542 2.516 2.747 102 2HB CYS 17 1HB CYS 17 7.661 1.266 2.205 103 H LYS 18 H LYS 18 7.768 2.327 -1.710 104 HA LYS 18 HA LYS 18 7.315 -0.432 -2.434 105 1HB LYS 18 2HB LYS 18 7.801 1.776 -3.802 106 2HB LYS 18 1HB LYS 18 9.485 1.287 -3.607 107 1HG LYS 18 2HG LYS 18 8.776 -1.008 -4.483 108 2HG LYS 18 1HG LYS 18 7.251 -0.251 -4.944 109 1HD LYS 18 2HD LYS 18 8.215 0.504 -6.828 110 2HD LYS 18 1HD LYS 18 9.331 1.460 -5.853 111 1HE LYS 18 2HE LYS 18 11.052 -0.020 -6.150 112 2HE LYS 18 1HE LYS 18 9.983 -1.431 -6.029 113 1HZ LYS 18 1HZ LYS 18 10.104 0.430 -8.346 114 2HZ LYS 18 2HZ LYS 18 9.116 -0.948 -8.220 115 3HZ LYS 18 3HZ LYS 18 10.805 -1.114 -8.302 116 H SER 19 H SER 19 9.872 1.194 -0.657 117 HA SER 19 HA SER 19 12.022 -0.649 -1.023 118 1HB SER 19 2HB SER 19 11.163 1.205 1.209 119 2HB SER 19 1HB SER 19 12.675 0.305 1.271 120 HG SER 19 HG SER 19 13.484 1.701 -0.064 121 H SER 20 H SER 20 9.183 -0.758 1.106 122 HA SER 20 HA SER 20 10.176 -3.299 2.331 123 1HB SER 20 2HB SER 20 8.081 -1.234 3.032 124 2HB SER 20 1HB SER 20 8.173 -2.782 3.868 125 HG SER 20 HG SER 20 9.857 -0.584 3.957 126 H ASN 21 H ASN 21 8.939 -2.966 -0.462 127 HA ASN 21 HA ASN 21 7.370 -4.082 -1.823 128 1HB ASN 21 2HB ASN 21 8.626 -5.827 -0.088 129 2HB ASN 21 1HB ASN 21 6.923 -6.199 0.176 130 1HD2 ASN 21 1HD2 ASN 21 9.464 -6.077 -2.326 131 2HD2 ASN 21 2HD2 ASN 21 8.639 -7.056 -3.441 132 H LEU 22 H LEU 22 6.079 -2.043 -0.623 133 HA LEU 22 HA LEU 22 3.594 -3.221 0.581 134 1HB LEU 22 2HB LEU 22 4.875 -0.475 0.768 135 2HB LEU 22 1HB LEU 22 3.321 -0.888 1.489 136 HG LEU 22 HG LEU 22 5.843 -2.445 2.093 137 1HD1 LEU 22 1HD1 LEU 22 6.266 -0.152 2.770 138 2HD1 LEU 22 2HD1 LEU 22 5.906 -1.101 4.212 139 3HD1 LEU 22 3HD1 LEU 22 4.676 -0.040 3.524 140 1HD2 LEU 22 1HD2 LEU 22 3.127 -2.165 3.416 141 2HD2 LEU 22 2HD2 LEU 22 4.490 -3.009 4.150 142 3HD2 LEU 22 3HD2 LEU 22 3.788 -3.607 2.647 143 H VAL 23 H VAL 23 1.809 -3.149 -0.711 144 HA VAL 23 HA VAL 23 1.727 -1.129 -2.937 145 HB VAL 23 HB VAL 23 0.375 -3.839 -2.885 146 1HG1 VAL 23 1HG1 VAL 23 0.973 -1.737 -4.951 147 2HG1 VAL 23 2HG1 VAL 23 -0.552 -2.553 -4.608 148 3HG1 VAL 23 3HG1 VAL 23 0.743 -3.417 -5.438 149 1HG2 VAL 23 1HG2 VAL 23 2.349 -4.500 -4.407 150 2HG2 VAL 23 2HG2 VAL 23 2.681 -4.411 -2.678 151 3HG2 VAL 23 3HG2 VAL 23 3.180 -3.095 -3.741 152 H CYS 24 H CYS 24 -0.539 -0.459 -3.500 153 HA CYS 24 HA CYS 24 -2.151 -0.119 -1.040 154 1HB CYS 24 2HB CYS 24 -1.962 1.103 -3.767 155 2HB CYS 24 1HB CYS 24 -3.473 1.287 -2.878 156 H SER 25 H SER 25 -4.082 -1.158 -0.677 157 HA SER 25 HA SER 25 -4.979 -3.175 -2.678 158 1HB SER 25 2HB SER 25 -4.471 -3.725 -0.272 159 2HB SER 25 1HB SER 25 -5.815 -2.690 0.199 160 HG SER 25 HG SER 25 -5.892 -5.220 -0.532 161 H ARG 26 H ARG 26 -7.301 -3.340 -3.161 162 HA ARG 26 HA ARG 26 -8.602 -0.677 -3.344 163 1HB ARG 26 2HB ARG 26 -8.269 -2.448 -5.216 164 2HB ARG 26 1HB ARG 26 -9.600 -3.309 -4.442 165 1HG ARG 26 2HG ARG 26 -11.101 -1.464 -4.773 166 2HG ARG 26 1HG ARG 26 -9.783 -0.402 -5.270 167 1HD ARG 26 2HD ARG 26 -10.291 -2.940 -6.814 168 2HD ARG 26 1HD ARG 26 -11.278 -1.500 -7.130 169 HE ARG 26 HE ARG 26 -8.287 -1.538 -7.320 170 1HH1 ARG 26 1HH2 ARG 26 -10.018 -1.566 -9.805 171 2HH1 ARG 26 2HH2 ARG 26 -10.045 0.112 -10.231 172 1HH2 ARG 26 2HH1 ARG 26 -8.908 1.190 -7.129 173 2HH2 ARG 26 1HH1 ARG 26 -9.414 1.677 -8.712 174 H LYS 27 H LYS 27 -9.389 -3.982 -2.183 175 HA LYS 27 HA LYS 27 -11.925 -3.192 -0.992 176 1HB LYS 27 2HB LYS 27 -10.090 -5.595 -0.839 177 2HB LYS 27 1HB LYS 27 -11.590 -5.515 0.084 178 1HG LYS 27 2HG LYS 27 -12.528 -4.784 -2.341 179 2HG LYS 27 1HG LYS 27 -11.184 -5.808 -2.846 180 1HD LYS 27 2HD LYS 27 -12.040 -7.632 -1.409 181 2HD LYS 27 1HD LYS 27 -13.397 -6.610 -0.932 182 1HE LYS 27 2HE LYS 27 -14.433 -7.679 -2.693 183 2HE LYS 27 1HE LYS 27 -13.597 -6.440 -3.649 184 1HZ LYS 27 1HZ LYS 27 -11.686 -7.932 -3.823 185 2HZ LYS 27 2HZ LYS 27 -13.078 -8.642 -4.490 186 3HZ LYS 27 3HZ LYS 27 -12.524 -9.127 -2.959 187 H HIS 28 H HIS 28 -8.591 -3.545 0.181 188 HA HIS 28 HA HIS 28 -9.396 -2.966 2.975 189 1HB HIS 28 2HB HIS 28 -6.746 -3.543 1.611 190 2HB HIS 28 1HB HIS 28 -6.948 -3.358 3.352 191 HD1 HIS 28 HD1 HIS 28 -7.934 -5.628 0.489 192 HD2 HIS 28 HD2 HIS 28 -8.034 -5.602 4.656 193 HE1 HIS 28 HE1 HIS 28 -8.618 -7.958 1.202 194 H ARG 29 H ARG 29 -8.052 -1.320 0.184 195 HA ARG 29 HA ARG 29 -7.349 0.904 -0.151 196 1HB ARG 29 2HB ARG 29 -9.461 0.884 1.949 197 2HB ARG 29 1HB ARG 29 -8.561 2.389 1.761 198 1HG ARG 29 2HG ARG 29 -9.705 2.882 -0.110 199 2HG ARG 29 1HG ARG 29 -9.219 1.353 -0.842 200 1HD ARG 29 2HD ARG 29 -11.084 0.245 0.504 201 2HD ARG 29 1HD ARG 29 -11.654 1.882 0.886 202 HE ARG 29 HE ARG 29 -11.174 1.205 -1.971 203 1HH1 ARG 29 1HH2 ARG 29 -13.654 -0.145 -1.125 204 2HH1 ARG 29 2HH2 ARG 29 -14.862 1.075 -1.352 205 1HH2 ARG 29 2HH1 ARG 29 -12.574 3.686 -1.505 206 2HH2 ARG 29 1HH1 ARG 29 -14.249 3.251 -1.567 207 H TRP 30 H TRP 30 -5.467 -0.658 1.252 208 HA TRP 30 HA TRP 30 -4.101 1.444 2.830 209 1HB TRP 30 2HB TRP 30 -3.919 0.105 4.799 210 2HB TRP 30 1HB TRP 30 -5.604 -0.005 4.313 211 HD1 TRP 30 HD1 TRP 30 -4.518 -2.161 1.856 212 HE1 TRP 30 HE1 TRP 30 -4.294 -4.616 2.594 213 HE3 TRP 30 HE3 TRP 30 -4.397 -1.549 6.923 214 HZ2 TRP 30 HZ2 TRP 30 -4.094 -6.126 5.012 215 HZ3 TRP 30 HZ3 TRP 30 -4.192 -3.513 8.419 216 HH2 TRP 30 HH2 TRP 30 -4.039 -5.799 7.471 217 H CYS 31 H CYS 31 -1.879 0.208 3.663 218 HA CYS 31 HA CYS 31 -0.593 -0.668 1.149 219 1HB CYS 31 2HB CYS 31 0.365 0.027 3.940 220 2HB CYS 31 1HB CYS 31 1.457 -0.506 2.664 221 H LYS 32 H LYS 32 -0.347 -2.813 0.686 222 HA LYS 32 HA LYS 32 -0.470 -4.790 2.943 223 1HB LYS 32 2HB LYS 32 -2.252 -4.526 0.975 224 2HB LYS 32 1HB LYS 32 -1.066 -5.485 0.089 225 1HG LYS 32 2HG LYS 32 -1.231 -6.784 2.539 226 2HG LYS 32 1HG LYS 32 -2.898 -6.303 2.219 227 1HD LYS 32 2HD LYS 32 -2.824 -7.370 0.022 228 2HD LYS 32 1HD LYS 32 -1.124 -7.779 0.251 229 1HE LYS 32 2HE LYS 32 -2.126 -9.782 0.913 230 2HE LYS 32 1HE LYS 32 -2.072 -8.936 2.471 231 1HZ LYS 32 1HZ LYS 32 -4.340 -8.851 0.547 232 2HZ LYS 32 2HZ LYS 32 -4.279 -8.061 2.051 233 3HZ LYS 32 3HZ LYS 32 -4.311 -9.758 1.980 234 H TYR 33 H TYR 33 0.924 -6.691 2.689 235 HA TYR 33 HA TYR 33 3.500 -6.038 1.409 236 1HB TYR 33 2HB TYR 33 2.597 -7.439 3.675 237 2HB TYR 33 1HB TYR 33 3.257 -8.679 2.608 238 HD1 TYR 33 HD1 TYR 33 4.012 -5.554 4.444 239 HD2 TYR 33 HD2 TYR 33 5.613 -8.756 2.068 240 HE1 TYR 33 HE1 TYR 33 6.312 -4.856 5.052 241 HE2 TYR 33 HE2 TYR 33 7.913 -8.058 2.678 242 HH TYR 33 HH TYR 33 8.855 -5.415 3.568 243 H GLU 34 H GLU 34 4.130 -6.849 -0.550 244 HA GLU 34 HA GLU 34 2.327 -8.732 -1.967 245 1HB GLU 34 2HB GLU 34 3.842 -6.472 -2.627 246 2HB GLU 34 1HB GLU 34 4.721 -7.812 -3.363 247 1HG GLU 34 2HG GLU 34 1.736 -7.432 -3.680 248 2HG GLU 34 1HG GLU 34 2.915 -6.780 -4.818 249 H ILE 35 H ILE 35 3.089 -10.722 -2.852 250 HA ILE 35 HA ILE 35 5.284 -11.993 -1.340 251 HB ILE 35 HB ILE 35 3.327 -12.992 -3.442 252 1HG1 ILE 35 1HG1 ILE 35 2.831 -14.142 -0.916 253 2HG1 ILE 35 2HG1 ILE 35 3.102 -12.428 -0.601 254 1HG2 ILE 35 1HG2 ILE 35 5.379 -14.395 -1.723 255 2HG2 ILE 35 2HG2 ILE 35 3.981 -15.246 -2.380 256 3HG2 ILE 35 3HG2 ILE 35 5.157 -14.508 -3.468 257 1HD1 ILE 35 1HD1 ILE 35 1.258 -13.397 -2.794 258 2HD1 ILE 35 2HD1 ILE 35 0.696 -13.097 -1.149 259 3HD1 ILE 35 3HD1 ILE 35 1.367 -11.776 -2.106 260 1HN NH2 36 1HN NH2 36 7.520 -10.749 -3.709 261 2HN NH2 36 2HN NH2 36 6.626 -10.435 -2.205 Start of MODEL 8 1 1H GLU 1 1H GLU 1 5.034 10.193 2.999 2 2H GLU 1 2H GLU 1 5.336 11.409 1.852 3 3H GLU 1 3H GLU 1 6.631 10.635 2.636 4 HA GLU 1 HA GLU 1 4.734 9.353 0.728 5 1HB GLU 1 2HB GLU 1 7.112 10.957 0.471 6 2HB GLU 1 1HB GLU 1 7.467 9.316 -0.072 7 1HG GLU 1 2HG GLU 1 5.450 9.384 -1.525 8 2HG GLU 1 1HG GLU 1 5.169 11.052 -1.022 9 H CYS 2 H CYS 2 5.556 7.156 0.112 10 HA CYS 2 HA CYS 2 6.251 4.976 0.662 11 1HB CYS 2 2HB CYS 2 8.384 6.578 0.924 12 2HB CYS 2 1HB CYS 2 8.233 6.085 2.609 13 H LEU 3 H LEU 3 4.328 4.394 1.796 14 HA LEU 3 HA LEU 3 4.126 4.937 4.700 15 1HB LEU 3 2HB LEU 3 2.400 3.594 2.602 16 2HB LEU 3 1HB LEU 3 1.952 3.631 4.307 17 HG LEU 3 HG LEU 3 2.678 6.174 2.860 18 1HD1 LEU 3 1HD1 LEU 3 0.829 4.836 1.664 19 2HD1 LEU 3 2HD1 LEU 3 0.434 6.487 2.143 20 3HD1 LEU 3 3HD1 LEU 3 -0.147 5.128 3.105 21 1HD2 LEU 3 1HD2 LEU 3 0.777 5.613 5.157 22 2HD2 LEU 3 2HD2 LEU 3 1.355 7.189 4.617 23 3HD2 LEU 3 3HD2 LEU 3 2.470 6.053 5.376 24 H GLY 4 H GLY 4 4.161 3.261 6.285 25 1HA GLY 4 2HA GLY 4 5.889 1.005 5.701 26 2HA GLY 4 1HA GLY 4 5.082 1.314 7.237 27 H PHE 5 H PHE 5 4.980 -1.223 6.779 28 HA PHE 5 HA PHE 5 2.912 -2.152 4.958 29 1HB PHE 5 2HB PHE 5 4.689 -3.633 5.560 30 2HB PHE 5 1HB PHE 5 4.464 -3.321 7.281 31 HD1 PHE 5 HD1 PHE 5 3.284 -4.887 8.536 32 HD2 PHE 5 HD2 PHE 5 2.504 -4.573 4.324 33 HE1 PHE 5 HE1 PHE 5 1.707 -6.795 8.684 34 HE2 PHE 5 HE2 PHE 5 0.930 -6.482 4.472 35 HZ PHE 5 HZ PHE 5 0.531 -7.593 6.653 36 H GLY 6 H GLY 6 0.735 -2.444 5.376 37 1HA GLY 6 2HA GLY 6 -1.296 -2.483 6.543 38 2HA GLY 6 1HA GLY 6 -0.375 -2.659 8.036 39 H LYS 7 H LYS 7 -0.175 -0.017 5.659 40 HA LYS 7 HA LYS 7 -0.932 1.894 7.842 41 1HB LYS 7 2HB LYS 7 0.987 1.873 5.547 42 2HB LYS 7 1HB LYS 7 0.275 3.424 5.990 43 1HG LYS 7 2HG LYS 7 1.483 1.619 8.083 44 2HG LYS 7 1HG LYS 7 2.485 2.733 7.155 45 1HD LYS 7 2HD LYS 7 -0.015 3.788 8.424 46 2HD LYS 7 1HD LYS 7 1.391 3.495 9.448 47 1HE LYS 7 2HE LYS 7 2.713 4.833 7.636 48 2HE LYS 7 1HE LYS 7 1.113 5.422 7.143 49 1HZ LYS 7 1HZ LYS 7 2.209 5.505 9.908 50 2HZ LYS 7 2HZ LYS 7 0.672 6.054 9.435 51 3HZ LYS 7 3HZ LYS 7 2.069 6.837 8.868 52 H GLY 8 H GLY 8 -2.719 3.196 7.504 53 1HA GLY 8 2HA GLY 8 -4.642 2.613 5.505 54 2HA GLY 8 1HA GLY 8 -4.623 4.090 6.468 55 H CYS 9 H CYS 9 -4.418 2.935 3.348 56 HA CYS 9 HA CYS 9 -3.220 5.510 2.398 57 1HB CYS 9 2HB CYS 9 -2.039 4.128 0.649 58 2HB CYS 9 1HB CYS 9 -1.485 3.813 2.291 59 H ASN 10 H ASN 10 -3.604 5.539 -0.170 60 HA ASN 10 HA ASN 10 -6.518 5.059 -0.560 61 1HB ASN 10 2HB ASN 10 -4.415 6.684 -2.025 62 2HB ASN 10 1HB ASN 10 -6.109 6.607 -2.508 63 1HD2 ASN 10 1HD2 ASN 10 -4.106 8.661 -0.992 64 2HD2 ASN 10 2HD2 ASN 10 -5.146 9.326 0.173 65 HA PRO 11 HA PRO 11 -5.554 1.594 -3.171 66 1HB PRO 11 2HB PRO 11 -8.012 1.351 -4.366 67 2HB PRO 11 1HB PRO 11 -7.674 0.795 -2.715 68 1HG PRO 11 2HG PRO 11 -9.009 3.294 -3.633 69 2HG PRO 11 1HG PRO 11 -9.403 2.240 -2.265 70 1HD PRO 11 2HD PRO 11 -8.079 4.593 -1.982 71 2HD PRO 11 1HD PRO 11 -7.837 3.208 -0.894 72 H SER 12 H SER 12 -7.230 4.466 -4.481 73 HA SER 12 HA SER 12 -6.512 3.974 -7.256 74 1HB SER 12 2HB SER 12 -8.277 5.562 -5.922 75 2HB SER 12 1HB SER 12 -7.006 6.734 -6.261 76 HG SER 12 HG SER 12 -8.772 5.485 -7.953 77 H ASN 13 H ASN 13 -5.160 5.965 -4.623 78 HA ASN 13 HA ASN 13 -2.715 6.437 -6.296 79 1HB ASN 13 2HB ASN 13 -4.275 8.363 -5.544 80 2HB ASN 13 1HB ASN 13 -3.656 8.061 -3.921 81 1HD2 ASN 13 1HD2 ASN 13 -2.942 9.566 -6.967 82 2HD2 ASN 13 2HD2 ASN 13 -1.363 10.063 -6.589 83 H ASP 14 H ASP 14 -2.222 4.163 -5.375 84 HA ASP 14 HA ASP 14 -1.772 3.660 -2.617 85 1HB ASP 14 2HB ASP 14 -0.413 1.806 -3.448 86 2HB ASP 14 1HB ASP 14 -1.817 2.003 -4.492 87 H GLN 15 H GLN 15 -0.176 4.297 -1.222 88 HA GLN 15 HA GLN 15 2.242 5.674 -2.353 89 1HB GLN 15 2HB GLN 15 0.134 6.516 -0.464 90 2HB GLN 15 1HB GLN 15 1.774 6.852 0.091 91 1HG GLN 15 2HG GLN 15 2.126 7.775 -2.337 92 2HG GLN 15 1HG GLN 15 0.364 7.872 -2.361 93 1HE2 GLN 15 1HE2 GLN 15 -0.669 9.231 -0.625 94 2HE2 GLN 15 2HE2 GLN 15 0.218 10.499 0.073 95 H CYS 16 H CYS 16 1.872 2.846 -1.395 96 HA CYS 16 HA CYS 16 3.133 2.653 1.236 97 1HB CYS 16 2HB CYS 16 2.642 0.644 -0.988 98 2HB CYS 16 1HB CYS 16 3.108 0.235 0.663 99 H CYS 17 H CYS 17 5.243 1.376 1.454 100 HA CYS 17 HA CYS 17 7.327 2.652 -0.146 101 1HB CYS 17 2HB CYS 17 7.161 0.693 2.136 102 2HB CYS 17 1HB CYS 17 8.707 0.977 1.337 103 H LYS 18 H LYS 18 8.191 1.853 -2.003 104 HA LYS 18 HA LYS 18 7.300 -0.651 -3.172 105 1HB LYS 18 2HB LYS 18 7.980 1.536 -4.308 106 2HB LYS 18 1HB LYS 18 9.651 1.086 -3.971 107 1HG LYS 18 2HG LYS 18 9.342 -1.018 -5.226 108 2HG LYS 18 1HG LYS 18 7.671 -0.567 -5.568 109 1HD LYS 18 2HD LYS 18 8.334 1.278 -6.920 110 2HD LYS 18 1HD LYS 18 9.997 1.205 -6.334 111 1HE LYS 18 2HE LYS 18 9.963 -1.226 -7.356 112 2HE LYS 18 1HE LYS 18 8.616 -0.586 -8.319 113 1HZ LYS 18 1HZ LYS 18 10.005 1.309 -8.926 114 2HZ LYS 18 2HZ LYS 18 10.726 -0.149 -9.415 115 3HZ LYS 18 3HZ LYS 18 11.301 0.664 -8.040 116 H SER 19 H SER 19 10.194 0.375 -1.390 117 HA SER 19 HA SER 19 11.933 -1.798 -1.995 118 1HB SER 19 2HB SER 19 12.329 0.418 -0.743 119 2HB SER 19 1HB SER 19 11.693 -0.404 0.680 120 HG SER 19 HG SER 19 14.114 -0.647 -0.568 121 H SER 20 H SER 20 9.310 -1.521 0.406 122 HA SER 20 HA SER 20 9.883 -4.239 1.459 123 1HB SER 20 2HB SER 20 9.291 -2.188 2.846 124 2HB SER 20 1HB SER 20 7.671 -2.291 2.164 125 HG SER 20 HG SER 20 7.274 -3.969 3.388 126 H ASN 21 H ASN 21 8.559 -3.405 -1.337 127 HA ASN 21 HA ASN 21 6.857 -4.241 -2.736 128 1HB ASN 21 2HB ASN 21 7.653 -6.440 -0.844 129 2HB ASN 21 1HB ASN 21 6.356 -6.730 -2.003 130 1HD2 ASN 21 1HD2 ASN 21 6.906 -6.535 -4.337 131 2HD2 ASN 21 2HD2 ASN 21 8.519 -6.679 -4.844 132 H LEU 22 H LEU 22 5.640 -2.481 -1.190 133 HA LEU 22 HA LEU 22 3.323 -3.866 0.114 134 1HB LEU 22 2HB LEU 22 4.610 -1.144 0.471 135 2HB LEU 22 1HB LEU 22 3.101 -1.609 1.257 136 HG LEU 22 HG LEU 22 5.705 -3.138 1.533 137 1HD1 LEU 22 1HD1 LEU 22 4.368 -1.139 3.381 138 2HD1 LEU 22 2HD1 LEU 22 5.927 -0.948 2.579 139 3HD1 LEU 22 3HD1 LEU 22 5.726 -2.168 3.837 140 1HD2 LEU 22 1HD2 LEU 22 4.433 -4.123 3.501 141 2HD2 LEU 22 2HD2 LEU 22 3.811 -4.575 1.914 142 3HD2 LEU 22 3HD2 LEU 22 2.988 -3.336 2.863 143 H VAL 23 H VAL 23 1.282 -3.480 -0.694 144 HA VAL 23 HA VAL 23 0.958 -1.336 -2.767 145 HB VAL 23 HB VAL 23 -0.536 -3.045 -3.940 146 1HG1 VAL 23 1HG1 VAL 23 2.387 -3.787 -3.633 147 2HG1 VAL 23 2HG1 VAL 23 1.778 -2.501 -4.675 148 3HG1 VAL 23 3HG1 VAL 23 1.349 -4.180 -5.003 149 1HG2 VAL 23 1HG2 VAL 23 -0.725 -4.525 -1.886 150 2HG2 VAL 23 2HG2 VAL 23 0.944 -5.015 -2.171 151 3HG2 VAL 23 3HG2 VAL 23 -0.298 -5.377 -3.369 152 H CYS 24 H CYS 24 -0.907 -0.123 -2.492 153 HA CYS 24 HA CYS 24 -2.454 -0.422 -0.066 154 1HB CYS 24 2HB CYS 24 -1.849 1.661 -1.515 155 2HB CYS 24 1HB CYS 24 -3.264 1.210 -2.469 156 H SER 25 H SER 25 -4.096 -1.845 0.227 157 HA SER 25 HA SER 25 -5.265 -3.391 -1.935 158 1HB SER 25 2HB SER 25 -4.871 -4.126 0.436 159 2HB SER 25 1HB SER 25 -6.142 -3.022 0.950 160 HG SER 25 HG SER 25 -6.294 -5.448 -0.385 161 H ARG 26 H ARG 26 -7.666 -3.465 -2.303 162 HA ARG 26 HA ARG 26 -8.781 -0.715 -2.508 163 1HB ARG 26 2HB ARG 26 -9.070 -3.347 -3.853 164 2HB ARG 26 1HB ARG 26 -10.546 -2.388 -3.749 165 1HG ARG 26 2HG ARG 26 -8.678 -0.500 -4.495 166 2HG ARG 26 1HG ARG 26 -8.130 -1.933 -5.364 167 1HD ARG 26 2HD ARG 26 -9.688 -0.989 -6.866 168 2HD ARG 26 1HD ARG 26 -10.678 -2.182 -6.002 169 HE ARG 26 HE ARG 26 -11.221 -0.200 -4.413 170 1HH1 ARG 26 2HH1 ARG 26 -12.820 -0.246 -6.974 171 2HH1 ARG 26 1HH1 ARG 26 -12.640 1.383 -7.532 172 1HH2 ARG 26 1HH2 ARG 26 -9.935 2.073 -5.462 173 2HH2 ARG 26 2HH2 ARG 26 -11.001 2.701 -6.674 174 H LYS 27 H LYS 27 -9.559 -3.903 -1.106 175 HA LYS 27 HA LYS 27 -12.091 -2.980 0.058 176 1HB LYS 27 2HB LYS 27 -11.446 -5.327 -0.756 177 2HB LYS 27 1HB LYS 27 -10.481 -5.462 0.713 178 1HG LYS 27 2HG LYS 27 -13.140 -4.465 1.320 179 2HG LYS 27 1HG LYS 27 -13.229 -5.998 0.454 180 1HD LYS 27 2HD LYS 27 -12.492 -7.148 2.248 181 2HD LYS 27 1HD LYS 27 -11.132 -6.048 2.471 182 1HE LYS 27 2HE LYS 27 -12.348 -5.684 4.447 183 2HE LYS 27 1HE LYS 27 -13.012 -4.416 3.399 184 1HZ LYS 27 1HZ LYS 27 -14.134 -7.156 3.695 185 2HZ LYS 27 2HZ LYS 27 -14.771 -5.914 2.724 186 3HZ LYS 27 3HZ LYS 27 -14.774 -5.761 4.415 187 H HIS 28 H HIS 28 -8.800 -3.720 1.259 188 HA HIS 28 HA HIS 28 -9.521 -2.827 3.993 189 1HB HIS 28 2HB HIS 28 -7.055 -3.995 2.673 190 2HB HIS 28 1HB HIS 28 -7.092 -3.515 4.370 191 HD1 HIS 28 HD1 HIS 28 -9.585 -4.558 5.494 192 HD2 HIS 28 HD2 HIS 28 -7.554 -6.697 2.548 193 HE1 HIS 28 HE1 HIS 28 -10.371 -6.957 5.682 194 H ARG 29 H ARG 29 -8.035 -1.543 1.110 195 HA ARG 29 HA ARG 29 -6.969 0.509 0.656 196 1HB ARG 29 2HB ARG 29 -8.775 1.102 3.013 197 2HB ARG 29 1HB ARG 29 -7.920 2.368 2.133 198 1HG ARG 29 2HG ARG 29 -9.457 2.330 0.491 199 2HG ARG 29 1HG ARG 29 -9.215 0.599 0.259 200 1HD ARG 29 2HD ARG 29 -11.242 0.209 1.186 201 2HD ARG 29 1HD ARG 29 -10.686 0.957 2.695 202 HE ARG 29 HE ARG 29 -12.314 2.260 0.653 203 1HH1 ARG 29 1HH2 ARG 29 -12.101 2.658 3.746 204 2HH1 ARG 29 2HH2 ARG 29 -11.567 4.305 3.798 205 1HH2 ARG 29 2HH1 ARG 29 -10.694 4.405 0.435 206 2HH2 ARG 29 1HH1 ARG 29 -10.769 5.297 1.917 207 H TRP 30 H TRP 30 -5.265 -1.205 2.032 208 HA TRP 30 HA TRP 30 -3.686 0.733 3.641 209 1HB TRP 30 2HB TRP 30 -3.595 -0.667 5.534 210 2HB TRP 30 1HB TRP 30 -5.268 -0.801 5.015 211 HD1 TRP 30 HD1 TRP 30 -4.543 -2.869 2.548 212 HE1 TRP 30 HE1 TRP 30 -4.083 -5.325 3.167 213 HE3 TRP 30 HE3 TRP 30 -3.443 -2.339 7.503 214 HZ2 TRP 30 HZ2 TRP 30 -3.355 -6.867 5.460 215 HZ3 TRP 30 HZ3 TRP 30 -2.875 -4.317 8.882 216 HH2 TRP 30 HH2 TRP 30 -2.830 -6.578 7.868 217 H CYS 31 H CYS 31 -1.399 -0.135 3.994 218 HA CYS 31 HA CYS 31 -0.329 -1.088 1.470 219 1HB CYS 31 2HB CYS 31 0.827 -0.561 4.219 220 2HB CYS 31 1HB CYS 31 1.820 -1.032 2.842 221 H LYS 32 H LYS 32 -0.835 -3.206 0.962 222 HA LYS 32 HA LYS 32 -0.397 -5.318 3.035 223 1HB LYS 32 2HB LYS 32 -2.555 -4.904 1.569 224 2HB LYS 32 1HB LYS 32 -1.628 -5.744 0.324 225 1HG LYS 32 2HG LYS 32 -1.470 -7.097 2.907 226 2HG LYS 32 1HG LYS 32 -3.131 -6.952 2.335 227 1HD LYS 32 2HD LYS 32 -2.762 -8.278 0.487 228 2HD LYS 32 1HD LYS 32 -1.071 -7.794 0.348 229 1HE LYS 32 2HE LYS 32 -0.734 -9.099 2.580 230 2HE LYS 32 1HE LYS 32 -2.287 -9.861 2.182 231 1HZ LYS 32 1HZ LYS 32 0.069 -9.692 0.374 232 2HZ LYS 32 2HZ LYS 32 -1.422 -10.412 -0.006 233 3HZ LYS 32 3HZ LYS 32 -0.434 -11.084 1.202 234 H TYR 33 H TYR 33 0.686 -7.345 2.209 235 HA TYR 33 HA TYR 33 3.162 -6.711 0.822 236 1HB TYR 33 2HB TYR 33 2.084 -8.735 2.500 237 2HB TYR 33 1HB TYR 33 2.614 -9.537 1.020 238 HD1 TYR 33 HD1 TYR 33 4.928 -9.787 0.506 239 HD2 TYR 33 HD2 TYR 33 3.700 -7.258 3.754 240 HE1 TYR 33 HE1 TYR 33 7.287 -9.587 1.242 241 HE2 TYR 33 HE2 TYR 33 6.058 -7.058 4.491 242 HH TYR 33 HH TYR 33 8.319 -8.912 3.942 243 H GLU 34 H GLU 34 3.507 -6.775 -1.355 244 HA GLU 34 HA GLU 34 1.382 -7.566 -3.198 245 1HB GLU 34 2HB GLU 34 3.016 -5.664 -3.483 246 2HB GLU 34 1HB GLU 34 4.293 -6.859 -3.712 247 1HG GLU 34 2HG GLU 34 1.929 -7.339 -5.396 248 2HG GLU 34 1HG GLU 34 2.730 -5.804 -5.732 249 H ILE 35 H ILE 35 1.052 -9.660 -3.818 250 HA ILE 35 HA ILE 35 3.256 -11.645 -3.512 251 HB ILE 35 HB ILE 35 0.260 -11.833 -3.969 252 1HG1 ILE 35 1HG1 ILE 35 1.868 -12.791 -1.596 253 2HG1 ILE 35 2HG1 ILE 35 1.267 -11.136 -1.691 254 1HG2 ILE 35 1HG2 ILE 35 2.385 -13.977 -3.780 255 2HG2 ILE 35 2HG2 ILE 35 0.686 -14.305 -3.442 256 3HG2 ILE 35 3HG2 ILE 35 1.177 -13.756 -5.045 257 1HD1 ILE 35 1HD1 ILE 35 -1.038 -12.037 -2.033 258 2HD1 ILE 35 2HD1 ILE 35 -0.402 -13.665 -1.800 259 3HD1 ILE 35 3HD1 ILE 35 -0.349 -12.500 -0.477 260 1HN NH2 36 1HN NH2 36 0.783 -11.673 -6.278 261 2HN NH2 36 2HN NH2 36 1.918 -12.759 -6.879 Start of MODEL 9 1 1H GLU 1 1H GLU 1 9.689 8.383 -0.600 2 2H GLU 1 2H GLU 1 9.097 9.328 0.680 3 3H GLU 1 3H GLU 1 9.195 9.982 -0.884 4 HA GLU 1 HA GLU 1 6.912 9.152 0.023 5 1HB GLU 1 2HB GLU 1 6.381 8.568 -2.380 6 2HB GLU 1 1HB GLU 1 7.280 10.070 -2.189 7 1HG GLU 1 2HG GLU 1 9.386 8.505 -2.495 8 2HG GLU 1 1HG GLU 1 8.220 7.422 -3.252 9 H CYS 2 H CYS 2 7.260 7.367 1.572 10 HA CYS 2 HA CYS 2 6.844 4.716 0.296 11 1HB CYS 2 2HB CYS 2 9.300 5.682 1.549 12 2HB CYS 2 1HB CYS 2 8.701 4.222 2.333 13 H LEU 3 H LEU 3 4.816 4.391 1.265 14 HA LEU 3 HA LEU 3 4.326 5.100 4.075 15 1HB LEU 3 2HB LEU 3 2.797 3.786 1.829 16 2HB LEU 3 1HB LEU 3 2.144 3.796 3.466 17 HG LEU 3 HG LEU 3 3.105 6.321 2.113 18 1HD1 LEU 3 1HD1 LEU 3 0.750 6.763 1.528 19 2HD1 LEU 3 2HD1 LEU 3 0.296 5.174 2.143 20 3HD1 LEU 3 3HD1 LEU 3 1.331 5.306 0.722 21 1HD2 LEU 3 1HD2 LEU 3 2.562 5.903 4.708 22 2HD2 LEU 3 2HD2 LEU 3 0.916 6.186 4.143 23 3HD2 LEU 3 3HD2 LEU 3 2.152 7.420 3.908 24 H GLY 4 H GLY 4 4.009 3.582 5.786 25 1HA GLY 4 2HA GLY 4 5.614 1.155 5.593 26 2HA GLY 4 1HA GLY 4 4.745 1.710 7.023 27 H PHE 5 H PHE 5 4.369 -0.784 6.963 28 HA PHE 5 HA PHE 5 2.314 -1.726 5.086 29 1HB PHE 5 2HB PHE 5 3.937 -3.315 5.777 30 2HB PHE 5 1HB PHE 5 3.812 -2.833 7.468 31 HD1 PHE 5 HD1 PHE 5 1.911 -4.442 4.681 32 HD2 PHE 5 HD2 PHE 5 2.282 -3.892 8.925 33 HE1 PHE 5 HE1 PHE 5 0.186 -6.182 5.059 34 HE2 PHE 5 HE2 PHE 5 0.557 -5.632 9.301 35 HZ PHE 5 HZ PHE 5 -0.491 -6.776 7.367 36 H GLY 6 H GLY 6 0.129 -2.010 5.562 37 1HA GLY 6 2HA GLY 6 -1.916 -1.736 6.661 38 2HA GLY 6 1HA GLY 6 -1.033 -1.921 8.176 39 H LYS 7 H LYS 7 -0.796 0.570 5.628 40 HA LYS 7 HA LYS 7 -1.357 2.644 7.726 41 1HB LYS 7 2HB LYS 7 0.980 2.454 6.744 42 2HB LYS 7 1HB LYS 7 0.284 2.890 5.184 43 1HG LYS 7 2HG LYS 7 0.121 5.077 5.746 44 2HG LYS 7 1HG LYS 7 -0.537 4.701 7.339 45 1HD LYS 7 2HD LYS 7 1.704 4.223 8.192 46 2HD LYS 7 1HD LYS 7 2.395 4.496 6.592 47 1HE LYS 7 2HE LYS 7 1.692 6.844 6.644 48 2HE LYS 7 1HE LYS 7 0.897 6.591 8.210 49 1HZ LYS 7 1HZ LYS 7 3.782 6.118 7.656 50 2HZ LYS 7 2HZ LYS 7 3.006 5.913 9.154 51 3HZ LYS 7 3HZ LYS 7 3.157 7.464 8.477 52 H GLY 8 H GLY 8 -2.764 4.366 7.109 53 1HA GLY 8 2HA GLY 8 -4.857 3.783 5.271 54 2HA GLY 8 1HA GLY 8 -4.529 5.384 5.940 55 H CYS 9 H CYS 9 -4.400 3.465 3.127 56 HA CYS 9 HA CYS 9 -2.908 5.636 1.690 57 1HB CYS 9 2HB CYS 9 -1.502 3.639 2.117 58 2HB CYS 9 1HB CYS 9 -2.707 2.629 1.319 59 H ASN 10 H ASN 10 -3.591 5.947 -0.513 60 HA ASN 10 HA ASN 10 -6.390 5.136 -1.032 61 1HB ASN 10 2HB ASN 10 -5.070 7.455 -1.328 62 2HB ASN 10 1HB ASN 10 -4.749 6.773 -2.922 63 1HD2 ASN 10 1HD2 ASN 10 -6.366 7.141 -4.453 64 2HD2 ASN 10 2HD2 ASN 10 -7.980 7.517 -4.090 65 HA PRO 11 HA PRO 11 -5.096 1.857 -3.727 66 1HB PRO 11 2HB PRO 11 -7.484 1.451 -5.003 67 2HB PRO 11 1HB PRO 11 -7.161 0.902 -3.347 68 1HG PRO 11 2HG PRO 11 -8.658 3.294 -4.290 69 2HG PRO 11 1HG PRO 11 -9.004 2.207 -2.936 70 1HD PRO 11 2HD PRO 11 -7.869 4.667 -2.637 71 2HD PRO 11 1HD PRO 11 -7.593 3.315 -1.516 72 H SER 12 H SER 12 -6.418 4.897 -4.863 73 HA SER 12 HA SER 12 -5.893 4.335 -7.709 74 1HB SER 12 2HB SER 12 -7.725 5.818 -6.556 75 2HB SER 12 1HB SER 12 -6.451 7.033 -6.489 76 HG SER 12 HG SER 12 -6.781 7.367 -8.527 77 H ASN 13 H ASN 13 -4.440 6.299 -5.095 78 HA ASN 13 HA ASN 13 -2.301 7.287 -6.857 79 1HB ASN 13 2HB ASN 13 -3.466 7.853 -4.259 80 2HB ASN 13 1HB ASN 13 -1.708 7.794 -4.149 81 1HD2 ASN 13 1HD2 ASN 13 -0.569 9.068 -6.056 82 2HD2 ASN 13 2HD2 ASN 13 -1.273 10.555 -6.471 83 H ASP 14 H ASP 14 -2.542 5.086 -4.056 84 HA ASP 14 HA ASP 14 -1.097 3.397 -3.277 85 1HB ASP 14 2HB ASP 14 -1.198 3.367 -6.189 86 2HB ASP 14 1HB ASP 14 0.329 2.713 -5.596 87 H GLN 15 H GLN 15 0.201 4.873 -1.982 88 HA GLN 15 HA GLN 15 2.839 5.621 -3.207 89 1HB GLN 15 2HB GLN 15 0.860 6.964 -1.492 90 2HB GLN 15 1HB GLN 15 2.513 7.111 -0.896 91 1HG GLN 15 2HG GLN 15 3.167 8.421 -2.643 92 2HG GLN 15 1HG GLN 15 2.197 7.519 -3.809 93 1HE2 GLN 15 1HE2 GLN 15 1.805 9.873 -1.099 94 2HE2 GLN 15 2HE2 GLN 15 0.437 10.629 -1.762 95 H CYS 16 H CYS 16 2.340 2.972 -2.127 96 HA CYS 16 HA CYS 16 3.508 2.918 0.582 97 1HB CYS 16 2HB CYS 16 1.748 1.348 -0.792 98 2HB CYS 16 1HB CYS 16 3.242 0.439 -1.019 99 H CYS 17 H CYS 17 5.431 1.383 0.923 100 HA CYS 17 HA CYS 17 7.602 2.186 -0.895 101 1HB CYS 17 2HB CYS 17 7.395 1.855 1.778 102 2HB CYS 17 1HB CYS 17 8.016 0.263 1.342 103 H LYS 18 H LYS 18 8.470 0.897 -2.460 104 HA LYS 18 HA LYS 18 7.288 -1.725 -3.032 105 1HB LYS 18 2HB LYS 18 8.697 -1.573 -5.033 106 2HB LYS 18 1HB LYS 18 7.909 -0.023 -4.750 107 1HG LYS 18 2HG LYS 18 10.008 0.833 -4.964 108 2HG LYS 18 1HG LYS 18 10.218 0.283 -3.303 109 1HD LYS 18 2HD LYS 18 12.023 -0.784 -4.256 110 2HD LYS 18 1HD LYS 18 10.797 -2.017 -4.547 111 1HE LYS 18 2HE LYS 18 10.710 -0.062 -6.678 112 2HE LYS 18 1HE LYS 18 12.359 -0.693 -6.501 113 1HZ LYS 18 1HZ LYS 18 11.026 -2.159 -7.892 114 2HZ LYS 18 2HZ LYS 18 9.880 -2.332 -6.651 115 3HZ LYS 18 3HZ LYS 18 11.454 -2.940 -6.449 116 H SER 19 H SER 19 10.174 -0.544 -1.427 117 HA SER 19 HA SER 19 11.839 -2.871 -1.691 118 1HB SER 19 2HB SER 19 13.017 -1.822 0.231 119 2HB SER 19 1HB SER 19 12.613 -0.637 -1.006 120 HG SER 19 HG SER 19 11.887 -0.699 1.564 121 H SER 20 H SER 20 9.280 -1.992 0.622 122 HA SER 20 HA SER 20 9.744 -4.461 2.205 123 1HB SER 20 2HB SER 20 9.237 -2.116 3.111 124 2HB SER 20 1HB SER 20 7.596 -2.348 2.518 125 HG SER 20 HG SER 20 7.268 -3.882 3.991 126 H ASN 21 H ASN 21 8.366 -4.055 -0.699 127 HA ASN 21 HA ASN 21 6.639 -5.108 -1.901 128 1HB ASN 21 2HB ASN 21 6.978 -7.016 0.441 129 2HB ASN 21 1HB ASN 21 6.189 -7.415 -1.085 130 1HD2 ASN 21 1HD2 ASN 21 7.609 -7.243 -3.096 131 2HD2 ASN 21 2HD2 ASN 21 9.273 -7.534 -2.933 132 H LEU 22 H LEU 22 5.352 -3.118 -1.004 133 HA LEU 22 HA LEU 22 2.970 -4.150 0.500 134 1HB LEU 22 2HB LEU 22 4.459 -1.520 0.788 135 2HB LEU 22 1HB LEU 22 2.927 -1.882 1.583 136 HG LEU 22 HG LEU 22 5.451 -3.523 1.921 137 1HD1 LEU 22 1HD1 LEU 22 5.538 -2.478 4.179 138 2HD1 LEU 22 2HD1 LEU 22 4.201 -1.424 3.718 139 3HD1 LEU 22 3HD1 LEU 22 5.752 -1.295 2.888 140 1HD2 LEU 22 1HD2 LEU 22 2.703 -3.568 3.184 141 2HD2 LEU 22 2HD2 LEU 22 4.096 -4.335 3.945 142 3HD2 LEU 22 3HD2 LEU 22 3.540 -4.886 2.365 143 H VAL 23 H VAL 23 0.996 -3.522 -0.371 144 HA VAL 23 HA VAL 23 1.014 -1.458 -2.544 145 HB VAL 23 HB VAL 23 -0.558 -2.989 -3.782 146 1HG1 VAL 23 1HG1 VAL 23 2.117 -4.264 -3.159 147 2HG1 VAL 23 2HG1 VAL 23 1.916 -2.873 -4.222 148 3HG1 VAL 23 3HG1 VAL 23 1.184 -4.421 -4.647 149 1HG2 VAL 23 1HG2 VAL 23 -0.573 -5.384 -3.088 150 2HG2 VAL 23 2HG2 VAL 23 -1.342 -4.338 -1.895 151 3HG2 VAL 23 3HG2 VAL 23 0.291 -4.941 -1.616 152 H CYS 24 H CYS 24 -0.819 -0.134 -2.573 153 HA CYS 24 HA CYS 24 -2.524 -0.163 -0.184 154 1HB CYS 24 2HB CYS 24 -2.539 1.578 -2.673 155 2HB CYS 24 1HB CYS 24 -3.339 1.952 -1.147 156 H SER 25 H SER 25 -4.199 -1.609 -0.152 157 HA SER 25 HA SER 25 -5.467 -2.615 -2.590 158 1HB SER 25 2HB SER 25 -5.008 -3.851 -0.409 159 2HB SER 25 1HB SER 25 -6.318 -2.914 0.304 160 HG SER 25 HG SER 25 -7.201 -4.795 -0.456 161 H ARG 26 H ARG 26 -7.888 -2.518 -2.835 162 HA ARG 26 HA ARG 26 -8.870 0.251 -2.388 163 1HB ARG 26 2HB ARG 26 -8.932 -0.892 -4.621 164 2HB ARG 26 1HB ARG 26 -10.029 -2.093 -3.937 165 1HG ARG 26 2HG ARG 26 -11.732 -0.722 -4.482 166 2HG ARG 26 1HG ARG 26 -11.152 0.379 -3.233 167 1HD ARG 26 2HD ARG 26 -11.088 1.795 -5.086 168 2HD ARG 26 1HD ARG 26 -9.457 1.104 -5.180 169 HE ARG 26 HE ARG 26 -11.177 -0.686 -6.537 170 1HH1 ARG 26 1HH2 ARG 26 -8.773 0.481 -7.835 171 2HH1 ARG 26 2HH2 ARG 26 -9.457 1.463 -9.087 172 1HH2 ARG 26 2HH1 ARG 26 -12.641 1.490 -7.693 173 2HH2 ARG 26 1HH1 ARG 26 -11.652 2.036 -9.006 174 H LYS 27 H LYS 27 -9.970 -3.123 -1.857 175 HA LYS 27 HA LYS 27 -12.366 -2.546 -0.432 176 1HB LYS 27 2HB LYS 27 -11.068 -4.747 -1.363 177 2HB LYS 27 1HB LYS 27 -10.743 -4.909 0.362 178 1HG LYS 27 2HG LYS 27 -12.978 -5.177 0.903 179 2HG LYS 27 1HG LYS 27 -13.533 -4.251 -0.493 180 1HD LYS 27 2HD LYS 27 -12.930 -6.084 -1.994 181 2HD LYS 27 1HD LYS 27 -12.273 -7.005 -0.641 182 1HE LYS 27 2HE LYS 27 -14.402 -7.933 -0.723 183 2HE LYS 27 1HE LYS 27 -14.745 -6.552 0.338 184 1HZ LYS 27 1HZ LYS 27 -15.303 -5.229 -1.600 185 2HZ LYS 27 2HZ LYS 27 -16.274 -6.621 -1.553 186 3HZ LYS 27 3HZ LYS 27 -14.963 -6.534 -2.630 187 H HIS 28 H HIS 28 -9.038 -3.086 0.777 188 HA HIS 28 HA HIS 28 -9.865 -2.452 3.551 189 1HB HIS 28 2HB HIS 28 -7.251 -3.233 2.221 190 2HB HIS 28 1HB HIS 28 -7.426 -2.972 3.956 191 HD1 HIS 28 HD1 HIS 28 -9.281 -4.560 5.162 192 HD2 HIS 28 HD2 HIS 28 -7.993 -5.776 1.387 193 HE1 HIS 28 HE1 HIS 28 -9.946 -6.991 4.926 194 H ARG 29 H ARG 29 -8.371 -0.877 0.798 195 HA ARG 29 HA ARG 29 -7.595 1.321 0.480 196 1HB ARG 29 2HB ARG 29 -9.903 1.384 1.917 197 2HB ARG 29 1HB ARG 29 -8.820 2.211 3.036 198 1HG ARG 29 2HG ARG 29 -8.121 3.403 0.685 199 2HG ARG 29 1HG ARG 29 -9.831 3.083 0.396 200 1HD ARG 29 2HD ARG 29 -9.810 4.053 3.005 201 2HD ARG 29 1HD ARG 29 -8.603 5.057 2.177 202 HE ARG 29 HE ARG 29 -11.464 4.811 1.399 203 1HH1 ARG 29 1HH2 ARG 29 -10.059 7.419 2.065 204 2HH1 ARG 29 2HH2 ARG 29 -9.794 8.080 0.486 205 1HH2 ARG 29 2HH1 ARG 29 -10.361 5.071 -1.158 206 2HH2 ARG 29 1HH1 ARG 29 -9.965 6.747 -1.344 207 H TRP 30 H TRP 30 -5.827 -0.490 1.882 208 HA TRP 30 HA TRP 30 -4.157 1.507 3.289 209 1HB TRP 30 2HB TRP 30 -4.120 0.355 5.347 210 2HB TRP 30 1HB TRP 30 -5.807 0.258 4.865 211 HD1 TRP 30 HD1 TRP 30 -5.163 -2.131 2.647 212 HE1 TRP 30 HE1 TRP 30 -4.874 -4.520 3.562 213 HE3 TRP 30 HE3 TRP 30 -4.143 -1.080 7.536 214 HZ2 TRP 30 HZ2 TRP 30 -4.295 -5.817 6.042 215 HZ3 TRP 30 HZ3 TRP 30 -3.731 -2.911 9.154 216 HH2 TRP 30 HH2 TRP 30 -3.805 -5.276 8.415 217 H CYS 31 H CYS 31 -1.976 0.339 3.925 218 HA CYS 31 HA CYS 31 -0.981 -0.973 1.494 219 1HB CYS 31 2HB CYS 31 0.104 0.195 4.024 220 2HB CYS 31 1HB CYS 31 1.121 -0.953 3.156 221 H LYS 32 H LYS 32 -0.599 -3.162 1.273 222 HA LYS 32 HA LYS 32 -0.697 -4.884 3.722 223 1HB LYS 32 2HB LYS 32 -2.227 -6.386 2.556 224 2HB LYS 32 1HB LYS 32 -2.903 -4.759 2.531 225 1HG LYS 32 2HG LYS 32 -3.071 -4.987 0.291 226 2HG LYS 32 1HG LYS 32 -1.314 -4.858 0.238 227 1HD LYS 32 2HD LYS 32 -1.563 -6.897 -0.812 228 2HD LYS 32 1HD LYS 32 -1.472 -7.449 0.860 229 1HE LYS 32 2HE LYS 32 -3.492 -8.434 0.527 230 2HE LYS 32 1HE LYS 32 -4.186 -6.803 0.461 231 1HZ LYS 32 1HZ LYS 32 -4.647 -8.000 -1.587 232 2HZ LYS 32 2HZ LYS 32 -2.990 -8.280 -1.828 233 3HZ LYS 32 3HZ LYS 32 -3.606 -6.697 -1.893 234 H TYR 33 H TYR 33 0.278 -7.063 3.309 235 HA TYR 33 HA TYR 33 2.648 -6.821 1.557 236 1HB TYR 33 2HB TYR 33 2.119 -7.880 4.057 237 2HB TYR 33 1HB TYR 33 2.199 -9.321 3.042 238 HD1 TYR 33 HD1 TYR 33 4.087 -6.696 4.653 239 HD2 TYR 33 HD2 TYR 33 4.224 -9.642 1.528 240 HE1 TYR 33 HE1 TYR 33 6.560 -6.522 4.596 241 HE2 TYR 33 HE2 TYR 33 6.698 -9.468 1.473 242 HH TYR 33 HH TYR 33 8.400 -7.209 2.359 243 H GLU 34 H GLU 34 3.013 -8.107 -0.253 244 HA GLU 34 HA GLU 34 0.691 -9.353 -1.524 245 1HB GLU 34 2HB GLU 34 3.619 -8.987 -2.208 246 2HB GLU 34 1HB GLU 34 2.507 -9.834 -3.282 247 1HG GLU 34 2HG GLU 34 2.206 -7.724 -4.134 248 2HG GLU 34 1HG GLU 34 1.046 -7.611 -2.810 249 H ILE 35 H ILE 35 0.094 -11.270 -0.483 250 HA ILE 35 HA ILE 35 2.221 -13.319 0.012 251 HB ILE 35 HB ILE 35 -0.624 -13.008 1.037 252 1HG1 ILE 35 1HG1 ILE 35 0.944 -11.318 1.928 253 2HG1 ILE 35 2HG1 ILE 35 0.483 -12.465 3.184 254 1HG2 ILE 35 1HG2 ILE 35 1.511 -15.086 1.524 255 2HG2 ILE 35 2HG2 ILE 35 0.241 -14.780 2.707 256 3HG2 ILE 35 3HG2 ILE 35 -0.179 -15.332 1.085 257 1HD1 ILE 35 1HD1 ILE 35 2.769 -13.535 1.860 258 2HD1 ILE 35 2HD1 ILE 35 3.113 -11.844 2.221 259 3HD1 ILE 35 3HD1 ILE 35 2.655 -12.947 3.519 260 1HN NH2 36 1HN NH2 36 -0.162 -13.696 -3.075 261 2HN NH2 36 2HN NH2 36 0.398 -12.257 -2.196 Start of MODEL 10 1 1H GLU 1 1H GLU 1 9.962 8.285 5.013 2 2H GLU 1 2H GLU 1 10.798 6.813 5.149 3 3H GLU 1 3H GLU 1 10.975 8.006 6.345 4 HA GLU 1 HA GLU 1 9.514 6.251 7.144 5 1HB GLU 1 2HB GLU 1 8.784 9.082 6.671 6 2HB GLU 1 1HB GLU 1 7.443 8.045 7.161 7 1HG GLU 1 2HG GLU 1 8.185 8.023 9.285 8 2HG GLU 1 1HG GLU 1 9.755 7.417 8.759 9 H CYS 2 H CYS 2 7.781 4.845 6.727 10 HA CYS 2 HA CYS 2 6.198 5.231 4.224 11 1HB CYS 2 2HB CYS 2 6.777 2.957 3.511 12 2HB CYS 2 1HB CYS 2 8.251 3.894 3.749 13 H LEU 3 H LEU 3 4.431 3.439 4.123 14 HA LEU 3 HA LEU 3 3.193 3.215 6.824 15 1HB LEU 3 2HB LEU 3 2.223 2.908 3.969 16 2HB LEU 3 1HB LEU 3 1.198 2.565 5.361 17 HG LEU 3 HG LEU 3 2.592 5.216 4.872 18 1HD1 LEU 3 1HD1 LEU 3 0.717 4.540 3.247 19 2HD1 LEU 3 2HD1 LEU 3 0.514 6.072 4.098 20 3HD1 LEU 3 3HD1 LEU 3 -0.366 4.641 4.636 21 1HD2 LEU 3 1HD2 LEU 3 2.218 5.064 7.190 22 2HD2 LEU 3 2HD2 LEU 3 0.725 4.147 6.984 23 3HD2 LEU 3 3HD2 LEU 3 0.759 5.871 6.616 24 H GLY 4 H GLY 4 2.629 1.203 7.726 25 1HA GLY 4 2HA GLY 4 4.149 -1.115 6.819 26 2HA GLY 4 1HA GLY 4 3.061 -1.067 8.205 27 H PHE 5 H PHE 5 2.245 -3.170 7.454 28 HA PHE 5 HA PHE 5 0.787 -3.270 4.891 29 1HB PHE 5 2HB PHE 5 2.014 -5.217 5.614 30 2HB PHE 5 1HB PHE 5 1.247 -5.183 7.200 31 HD1 PHE 5 HD1 PHE 5 -0.591 -6.566 7.582 32 HD2 PHE 5 HD2 PHE 5 0.325 -5.370 3.558 33 HE1 PHE 5 HE1 PHE 5 -2.420 -8.010 6.736 34 HE2 PHE 5 HE2 PHE 5 -1.505 -6.815 2.714 35 HZ PHE 5 HZ PHE 5 -2.877 -8.134 4.302 36 H GLY 6 H GLY 6 -1.456 -3.236 4.682 37 1HA GLY 6 2HA GLY 6 -3.706 -2.942 5.269 38 2HA GLY 6 1HA GLY 6 -3.293 -3.498 6.891 39 H LYS 7 H LYS 7 -2.063 -0.687 5.068 40 HA LYS 7 HA LYS 7 -3.073 1.068 7.286 41 1HB LYS 7 2HB LYS 7 -0.544 1.129 5.610 42 2HB LYS 7 1HB LYS 7 -1.020 2.438 6.693 43 1HG LYS 7 2HG LYS 7 -1.164 -0.163 8.010 44 2HG LYS 7 1HG LYS 7 0.455 0.174 7.400 45 1HD LYS 7 2HD LYS 7 0.819 1.750 8.975 46 2HD LYS 7 1HD LYS 7 -0.737 2.520 8.662 47 1HE LYS 7 2HE LYS 7 -0.929 1.749 10.904 48 2HE LYS 7 1HE LYS 7 -1.745 0.486 9.964 49 1HZ LYS 7 1HZ LYS 7 -0.073 -0.419 11.518 50 2HZ LYS 7 2HZ LYS 7 1.138 0.446 10.697 51 3HZ LYS 7 3HZ LYS 7 0.279 -0.785 9.900 52 H GLY 8 H GLY 8 -4.548 2.556 6.593 53 1HA GLY 8 2HA GLY 8 -5.452 2.824 3.932 54 2HA GLY 8 1HA GLY 8 -5.735 4.018 5.197 55 H CYS 9 H CYS 9 -4.450 3.696 2.196 56 HA CYS 9 HA CYS 9 -2.671 6.071 2.583 57 1HB CYS 9 2HB CYS 9 -1.111 4.914 0.926 58 2HB CYS 9 1HB CYS 9 -1.195 4.174 2.523 59 H ASN 10 H ASN 10 -1.985 6.765 0.157 60 HA ASN 10 HA ASN 10 -4.536 7.240 -1.275 61 1HB ASN 10 2HB ASN 10 -2.559 8.879 -0.602 62 2HB ASN 10 1HB ASN 10 -1.846 8.290 -2.103 63 1HD2 ASN 10 1HD2 ASN 10 -4.272 10.398 -0.768 64 2HD2 ASN 10 2HD2 ASN 10 -4.930 10.915 -2.245 65 HA PRO 11 HA PRO 11 -3.511 4.031 -4.192 66 1HB PRO 11 2HB PRO 11 -5.434 4.620 -6.052 67 2HB PRO 11 1HB PRO 11 -5.781 3.776 -4.530 68 1HG PRO 11 2HG PRO 11 -6.185 6.639 -5.239 69 2HG PRO 11 1HG PRO 11 -7.215 5.556 -4.290 70 1HD PRO 11 2HD PRO 11 -5.578 7.418 -3.170 71 2HD PRO 11 1HD PRO 11 -6.027 5.899 -2.362 72 H SER 12 H SER 12 -3.679 7.461 -5.000 73 HA SER 12 HA SER 12 -2.333 7.087 -7.610 74 1HB SER 12 2HB SER 12 -3.350 9.448 -6.009 75 2HB SER 12 1HB SER 12 -2.525 9.633 -7.554 76 HG SER 12 HG SER 12 -4.986 9.366 -7.390 77 H ASN 13 H ASN 13 -1.614 8.529 -4.411 78 HA ASN 13 HA ASN 13 1.139 9.205 -5.172 79 1HB ASN 13 2HB ASN 13 -0.758 9.940 -3.219 80 2HB ASN 13 1HB ASN 13 0.568 9.194 -2.328 81 1HD2 ASN 13 1HD2 ASN 13 2.630 10.287 -2.313 82 2HD2 ASN 13 2HD2 ASN 13 2.841 11.834 -2.978 83 H ASP 14 H ASP 14 -0.489 6.679 -3.292 84 HA ASP 14 HA ASP 14 0.274 4.626 -2.440 85 1HB ASP 14 2HB ASP 14 2.401 5.159 -4.544 86 2HB ASP 14 1HB ASP 14 2.102 3.597 -3.783 87 H GLN 15 H GLN 15 0.791 5.488 -0.342 88 HA GLN 15 HA GLN 15 3.631 6.299 0.118 89 1HB GLN 15 2HB GLN 15 1.375 7.511 0.839 90 2HB GLN 15 1HB GLN 15 1.463 6.377 2.187 91 1HG GLN 15 2HG GLN 15 3.496 7.258 2.963 92 2HG GLN 15 1HG GLN 15 3.875 8.003 1.409 93 1HE2 GLN 15 1HE2 GLN 15 1.531 8.247 4.134 94 2HE2 GLN 15 2HE2 GLN 15 1.252 9.910 3.940 95 H CYS 16 H CYS 16 2.760 3.437 -0.297 96 HA CYS 16 HA CYS 16 2.936 2.193 2.370 97 1HB CYS 16 2HB CYS 16 2.836 1.158 -0.480 98 2HB CYS 16 1HB CYS 16 2.858 0.109 0.936 99 H CYS 17 H CYS 17 4.684 0.595 2.836 100 HA CYS 17 HA CYS 17 7.320 1.687 2.252 101 1HB CYS 17 2HB CYS 17 6.163 0.271 4.271 102 2HB CYS 17 1HB CYS 17 7.042 -1.013 3.441 103 H LYS 18 H LYS 18 8.585 1.167 0.542 104 HA LYS 18 HA LYS 18 7.820 -0.869 -1.400 105 1HB LYS 18 2HB LYS 18 8.922 1.357 -1.845 106 2HB LYS 18 1HB LYS 18 10.391 0.718 -1.107 107 1HG LYS 18 2HG LYS 18 10.674 0.373 -3.443 108 2HG LYS 18 1HG LYS 18 10.217 -1.204 -2.800 109 1HD LYS 18 2HD LYS 18 8.190 -1.194 -3.851 110 2HD LYS 18 1HD LYS 18 7.962 0.538 -3.611 111 1HE LYS 18 2HE LYS 18 8.960 1.078 -5.607 112 2HE LYS 18 1HE LYS 18 10.150 -0.232 -5.478 113 1HZ LYS 18 1HZ LYS 18 7.251 -0.612 -6.023 114 2HZ LYS 18 2HZ LYS 18 8.429 -1.836 -5.953 115 3HZ LYS 18 3HZ LYS 18 8.472 -0.680 -7.198 116 H SER 19 H SER 19 10.087 -0.702 1.305 117 HA SER 19 HA SER 19 11.821 -2.868 0.649 118 1HB SER 19 2HB SER 19 11.958 -1.108 2.501 119 2HB SER 19 1HB SER 19 10.824 -2.106 3.406 120 HG SER 19 HG SER 19 13.062 -2.550 3.852 121 H SER 20 H SER 20 8.607 -2.843 2.196 122 HA SER 20 HA SER 20 8.691 -5.805 2.513 123 1HB SER 20 2HB SER 20 7.053 -3.508 3.534 124 2HB SER 20 1HB SER 20 6.346 -5.121 3.553 125 HG SER 20 HG SER 20 7.747 -5.726 5.036 126 H ASN 21 H ASN 21 8.297 -4.150 -0.137 127 HA ASN 21 HA ASN 21 7.003 -4.331 -2.095 128 1HB ASN 21 2HB ASN 21 7.602 -6.813 -1.028 129 2HB ASN 21 1HB ASN 21 5.861 -6.918 -1.280 130 1HD2 ASN 21 1HD2 ASN 21 6.462 -8.535 -3.030 131 2HD2 ASN 21 2HD2 ASN 21 6.918 -7.947 -4.555 132 H LEU 22 H LEU 22 5.698 -2.872 -0.026 133 HA LEU 22 HA LEU 22 2.885 -3.855 0.002 134 1HB LEU 22 2HB LEU 22 4.468 -1.722 1.451 135 2HB LEU 22 1HB LEU 22 2.712 -1.806 1.571 136 HG LEU 22 HG LEU 22 4.513 -4.168 2.159 137 1HD1 LEU 22 1HD1 LEU 22 5.112 -3.078 4.045 138 2HD1 LEU 22 2HD1 LEU 22 3.435 -3.245 4.562 139 3HD1 LEU 22 3HD1 LEU 22 3.963 -1.777 3.740 140 1HD2 LEU 22 1HD2 LEU 22 2.466 -5.160 2.029 141 2HD2 LEU 22 2HD2 LEU 22 1.611 -3.622 2.144 142 3HD2 LEU 22 3HD2 LEU 22 2.190 -4.421 3.606 143 H VAL 23 H VAL 23 1.298 -2.851 -1.204 144 HA VAL 23 HA VAL 23 1.982 -0.286 -2.597 145 HB VAL 23 HB VAL 23 0.806 -1.281 -4.597 146 1HG1 VAL 23 1HG1 VAL 23 2.728 -2.382 -5.371 147 2HG1 VAL 23 2HG1 VAL 23 3.074 -3.092 -3.795 148 3HG1 VAL 23 3HG1 VAL 23 3.361 -1.374 -4.070 149 1HG2 VAL 23 1HG2 VAL 23 0.340 -3.647 -4.668 150 2HG2 VAL 23 2HG2 VAL 23 -0.439 -3.013 -3.219 151 3HG2 VAL 23 3HG2 VAL 23 1.081 -3.898 -3.088 152 H CYS 24 H CYS 24 0.219 1.152 -2.830 153 HA CYS 24 HA CYS 24 -2.020 0.769 -1.002 154 1HB CYS 24 2HB CYS 24 -0.690 2.903 -1.803 155 2HB CYS 24 1HB CYS 24 -1.875 2.906 -3.110 156 H SER 25 H SER 25 -3.805 -0.408 -1.531 157 HA SER 25 HA SER 25 -4.416 -1.156 -4.297 158 1HB SER 25 2HB SER 25 -4.661 -2.557 -2.182 159 2HB SER 25 1HB SER 25 -6.044 -1.550 -1.770 160 HG SER 25 HG SER 25 -7.063 -2.969 -2.960 161 H ARG 26 H ARG 26 -6.820 -0.933 -4.996 162 HA ARG 26 HA ARG 26 -7.643 1.919 -4.649 163 1HB ARG 26 2HB ARG 26 -7.142 0.890 -6.908 164 2HB ARG 26 1HB ARG 26 -8.537 -0.163 -6.670 165 1HG ARG 26 2HG ARG 26 -10.061 1.622 -6.759 166 2HG ARG 26 1HG ARG 26 -8.822 2.822 -6.388 167 1HD ARG 26 2HD ARG 26 -8.700 3.198 -8.627 168 2HD ARG 26 1HD ARG 26 -7.927 1.605 -8.757 169 HE ARG 26 HE ARG 26 -10.851 2.115 -9.090 170 1HH1 ARG 26 1HH2 ARG 26 -9.232 1.149 -11.393 171 2HH1 ARG 26 2HH2 ARG 26 -9.505 -0.561 -11.355 172 1HH2 ARG 26 2HH1 ARG 26 -10.714 -0.562 -8.096 173 2HH2 ARG 26 1HH1 ARG 26 -10.347 -1.533 -9.483 174 H LYS 27 H LYS 27 -9.073 -1.374 -4.773 175 HA LYS 27 HA LYS 27 -11.707 -0.626 -3.909 176 1HB LYS 27 2HB LYS 27 -10.984 -2.762 -5.024 177 2HB LYS 27 1HB LYS 27 -10.197 -3.235 -3.518 178 1HG LYS 27 2HG LYS 27 -12.808 -2.454 -2.791 179 2HG LYS 27 1HG LYS 27 -12.994 -3.429 -4.248 180 1HD LYS 27 2HD LYS 27 -11.060 -4.756 -2.670 181 2HD LYS 27 1HD LYS 27 -12.352 -4.290 -1.565 182 1HE LYS 27 2HE LYS 27 -13.396 -5.339 -4.098 183 2HE LYS 27 1HE LYS 27 -12.398 -6.520 -3.228 184 1HZ LYS 27 1HZ LYS 27 -13.640 -6.064 -1.216 185 2HZ LYS 27 2HZ LYS 27 -14.707 -6.542 -2.449 186 3HZ LYS 27 3HZ LYS 27 -14.583 -4.903 -2.018 187 H HIS 28 H HIS 28 -8.859 -1.824 -2.105 188 HA HIS 28 HA HIS 28 -10.235 -1.436 0.490 189 1HB HIS 28 2HB HIS 28 -7.515 -2.466 -0.375 190 2HB HIS 28 1HB HIS 28 -8.034 -2.393 1.308 191 HD1 HIS 28 HD1 HIS 28 -10.578 -3.605 1.618 192 HD2 HIS 28 HD2 HIS 28 -8.122 -4.908 -1.488 193 HE1 HIS 28 HE1 HIS 28 -11.435 -5.889 0.938 194 H ARG 29 H ARG 29 -7.925 0.215 -1.570 195 HA ARG 29 HA ARG 29 -6.770 2.252 -1.323 196 1HB ARG 29 2HB ARG 29 -9.345 2.584 -0.591 197 2HB ARG 29 1HB ARG 29 -8.564 3.012 0.932 198 1HG ARG 29 2HG ARG 29 -7.050 4.290 -1.073 199 2HG ARG 29 1HG ARG 29 -8.737 4.548 -1.518 200 1HD ARG 29 2HD ARG 29 -9.238 5.543 0.620 201 2HD ARG 29 1HD ARG 29 -7.658 5.065 1.273 202 HE ARG 29 HE ARG 29 -6.610 6.626 -0.349 203 1HH1 ARG 29 2HH1 ARG 29 -8.349 8.331 1.393 204 2HH1 ARG 29 1HH1 ARG 29 -9.229 9.267 0.231 205 1HH2 ARG 29 1HH2 ARG 29 -8.467 7.163 -2.429 206 2HH2 ARG 29 2HH2 ARG 29 -9.295 8.603 -1.940 207 H TRP 30 H TRP 30 -5.569 0.126 0.063 208 HA TRP 30 HA TRP 30 -4.257 1.595 2.274 209 1HB TRP 30 2HB TRP 30 -4.760 -0.067 3.923 210 2HB TRP 30 1HB TRP 30 -6.282 0.315 3.132 211 HD1 TRP 30 HD1 TRP 30 -5.140 -1.610 0.512 212 HE1 TRP 30 HE1 TRP 30 -5.593 -4.130 0.751 213 HE3 TRP 30 HE3 TRP 30 -6.027 -1.874 5.534 214 HZ2 TRP 30 HZ2 TRP 30 -6.251 -6.014 2.794 215 HZ3 TRP 30 HZ3 TRP 30 -6.568 -4.045 6.598 216 HH2 TRP 30 HH2 TRP 30 -6.680 -6.114 5.236 217 H CYS 31 H CYS 31 -2.394 0.090 3.178 218 HA CYS 31 HA CYS 31 -0.756 -0.693 0.896 219 1HB CYS 31 2HB CYS 31 -0.434 -0.814 3.909 220 2HB CYS 31 1HB CYS 31 0.842 -1.288 2.788 221 H LYS 32 H LYS 32 -0.778 -2.688 -0.031 222 HA LYS 32 HA LYS 32 -1.522 -5.059 1.648 223 1HB LYS 32 2HB LYS 32 -3.352 -4.100 0.138 224 2HB LYS 32 1HB LYS 32 -2.348 -4.586 -1.229 225 1HG LYS 32 2HG LYS 32 -2.424 -6.909 -0.532 226 2HG LYS 32 1HG LYS 32 -3.269 -6.476 0.954 227 1HD LYS 32 2HD LYS 32 -5.232 -5.815 -0.245 228 2HD LYS 32 1HD LYS 32 -4.387 -5.875 -1.792 229 1HE LYS 32 2HE LYS 32 -4.158 -8.305 -1.624 230 2HE LYS 32 1HE LYS 32 -4.895 -8.286 -0.010 231 1HZ LYS 32 1HZ LYS 32 -6.553 -8.757 -1.718 232 2HZ LYS 32 2HZ LYS 32 -6.178 -7.300 -2.506 233 3HZ LYS 32 3HZ LYS 32 -6.876 -7.277 -0.957 234 H TYR 33 H TYR 33 -0.415 -6.996 1.063 235 HA TYR 33 HA TYR 33 2.150 -6.638 -0.291 236 1HB TYR 33 2HB TYR 33 1.120 -8.264 1.675 237 2HB TYR 33 1HB TYR 33 1.167 -9.365 0.298 238 HD1 TYR 33 HD1 TYR 33 3.448 -8.985 -1.200 239 HD2 TYR 33 HD2 TYR 33 3.012 -8.275 3.016 240 HE1 TYR 33 HE1 TYR 33 5.897 -9.239 -0.902 241 HE2 TYR 33 HE2 TYR 33 5.459 -8.529 3.312 242 HH TYR 33 HH TYR 33 7.393 -9.970 1.504 243 H GLU 34 H GLU 34 2.374 -6.771 -2.481 244 HA GLU 34 HA GLU 34 0.279 -7.588 -4.267 245 1HB GLU 34 2HB GLU 34 2.095 -7.371 -5.968 246 2HB GLU 34 1HB GLU 34 2.047 -6.002 -4.860 247 1HG GLU 34 2HG GLU 34 4.010 -6.624 -3.786 248 2HG GLU 34 1HG GLU 34 3.808 -8.330 -4.177 249 H ILE 35 H ILE 35 0.007 -9.523 -5.442 250 HA ILE 35 HA ILE 35 1.258 -11.926 -4.243 251 HB ILE 35 HB ILE 35 -1.234 -11.560 -4.693 252 1HG1 ILE 35 1HG1 ILE 35 -0.280 -13.999 -6.164 253 2HG1 ILE 35 2HG1 ILE 35 0.125 -13.813 -4.458 254 1HG2 ILE 35 1HG2 ILE 35 -0.765 -10.612 -7.029 255 2HG2 ILE 35 2HG2 ILE 35 -0.495 -12.278 -7.538 256 3HG2 ILE 35 3HG2 ILE 35 -2.071 -11.791 -6.915 257 1HD1 ILE 35 1HD1 ILE 35 -2.330 -13.412 -4.009 258 2HD1 ILE 35 2HD1 ILE 35 -2.644 -13.859 -5.686 259 3HD1 ILE 35 3HD1 ILE 35 -1.948 -15.038 -4.574 260 1HN NH2 36 1HN NH2 36 3.434 -10.854 -7.096 261 2HN NH2 36 2HN NH2 36 2.689 -10.079 -5.681 Start of MODEL 11 1 1H GLU 1 1H GLU 1 8.111 9.674 2.242 2 2H GLU 1 2H GLU 1 7.875 10.041 0.600 3 3H GLU 1 3H GLU 1 9.337 10.448 1.361 4 HA GLU 1 HA GLU 1 9.703 8.498 0.013 5 1HB GLU 1 2HB GLU 1 9.636 8.342 3.019 6 2HB GLU 1 1HB GLU 1 10.202 6.953 2.092 7 1HG GLU 1 2HG GLU 1 12.204 7.944 1.851 8 2HG GLU 1 1HG GLU 1 11.432 9.263 0.971 9 H CYS 2 H CYS 2 9.309 5.928 0.343 10 HA CYS 2 HA CYS 2 6.613 5.380 -0.471 11 1HB CYS 2 2HB CYS 2 7.385 3.112 -0.545 12 2HB CYS 2 1HB CYS 2 8.782 4.110 -0.940 13 H LEU 3 H LEU 3 5.084 3.920 0.695 14 HA LEU 3 HA LEU 3 4.978 4.595 3.600 15 1HB LEU 3 2HB LEU 3 2.972 3.630 1.543 16 2HB LEU 3 1HB LEU 3 2.578 3.819 3.249 17 HG LEU 3 HG LEU 3 3.804 6.085 1.679 18 1HD1 LEU 3 1HD1 LEU 3 0.843 5.527 2.025 19 2HD1 LEU 3 2HD1 LEU 3 1.733 5.308 0.518 20 3HD1 LEU 3 3HD1 LEU 3 1.560 6.919 1.214 21 1HD2 LEU 3 1HD2 LEU 3 3.708 6.112 4.202 22 2HD2 LEU 3 2HD2 LEU 3 1.949 6.051 4.080 23 3HD2 LEU 3 3HD2 LEU 3 2.830 7.437 3.438 24 H GLY 4 H GLY 4 4.817 2.950 5.177 25 1HA GLY 4 2HA GLY 4 5.877 0.334 4.426 26 2HA GLY 4 1HA GLY 4 5.448 0.847 6.058 27 H PHE 5 H PHE 5 4.445 -1.333 6.224 28 HA PHE 5 HA PHE 5 2.086 -1.940 4.594 29 1HB PHE 5 2HB PHE 5 3.453 -3.749 5.389 30 2HB PHE 5 1HB PHE 5 3.404 -3.143 7.043 31 HD1 PHE 5 HD1 PHE 5 0.913 -4.015 4.353 32 HD2 PHE 5 HD2 PHE 5 2.023 -4.315 8.494 33 HE1 PHE 5 HE1 PHE 5 -1.121 -5.360 4.803 34 HE2 PHE 5 HE2 PHE 5 -0.009 -5.663 8.940 35 HZ PHE 5 HZ PHE 5 -1.581 -6.185 7.095 36 H GLY 6 H GLY 6 -0.042 -1.523 5.135 37 1HA GLY 6 2HA GLY 6 -1.900 -0.838 6.401 38 2HA GLY 6 1HA GLY 6 -0.903 -0.964 7.850 39 H LYS 7 H LYS 7 -0.138 1.016 5.013 40 HA LYS 7 HA LYS 7 -0.288 3.439 6.768 41 1HB LYS 7 2HB LYS 7 1.730 2.325 5.165 42 2HB LYS 7 1HB LYS 7 1.133 3.700 4.236 43 1HG LYS 7 2HG LYS 7 2.759 4.698 5.590 44 2HG LYS 7 1HG LYS 7 1.285 4.974 6.519 45 1HD LYS 7 2HD LYS 7 1.770 2.877 7.807 46 2HD LYS 7 1HD LYS 7 3.311 2.763 6.956 47 1HE LYS 7 2HE LYS 7 4.069 4.866 7.897 48 2HE LYS 7 1HE LYS 7 2.469 5.178 8.598 49 1HZ LYS 7 1HZ LYS 7 2.670 3.151 9.894 50 2HZ LYS 7 2HZ LYS 7 3.971 4.190 10.234 51 3HZ LYS 7 3HZ LYS 7 4.199 2.840 9.227 52 H GLY 8 H GLY 8 -1.644 5.110 6.147 53 1HA GLY 8 2HA GLY 8 -3.721 4.699 4.250 54 2HA GLY 8 1HA GLY 8 -3.288 6.263 4.938 55 H CYS 9 H CYS 9 -3.646 4.760 2.065 56 HA CYS 9 HA CYS 9 -1.748 6.625 0.709 57 1HB CYS 9 2HB CYS 9 -1.133 4.702 -0.807 58 2HB CYS 9 1HB CYS 9 -0.600 4.489 0.859 59 H ASN 10 H ASN 10 -2.253 6.368 -1.829 60 HA ASN 10 HA ASN 10 -5.197 6.730 -2.110 61 1HB ASN 10 2HB ASN 10 -2.868 8.034 -3.031 62 2HB ASN 10 1HB ASN 10 -3.572 7.275 -4.456 63 1HD2 ASN 10 1HD2 ASN 10 -3.636 10.030 -4.429 64 2HD2 ASN 10 2HD2 ASN 10 -5.204 10.596 -4.112 65 HA PRO 11 HA PRO 11 -5.424 2.749 -4.078 66 1HB PRO 11 2HB PRO 11 -7.911 3.041 -5.204 67 2HB PRO 11 1HB PRO 11 -7.655 2.688 -3.484 68 1HG PRO 11 2HG PRO 11 -8.261 5.285 -4.813 69 2HG PRO 11 1HG PRO 11 -8.871 4.631 -3.285 70 1HD PRO 11 2HD PRO 11 -6.915 6.503 -3.403 71 2HD PRO 11 1HD PRO 11 -7.015 5.294 -2.104 72 H SER 12 H SER 12 -6.352 5.684 -5.918 73 HA SER 12 HA SER 12 -5.860 4.501 -8.533 74 1HB SER 12 2HB SER 12 -7.263 6.590 -7.721 75 2HB SER 12 1HB SER 12 -5.738 7.446 -7.927 76 HG SER 12 HG SER 12 -7.479 6.772 -9.784 77 H ASN 13 H ASN 13 -3.991 6.535 -6.284 78 HA ASN 13 HA ASN 13 -1.547 6.040 -7.950 79 1HB ASN 13 2HB ASN 13 -2.571 8.420 -7.716 80 2HB ASN 13 1HB ASN 13 -1.980 8.359 -6.055 81 1HD2 ASN 13 1HD2 ASN 13 -1.035 10.003 -8.489 82 2HD2 ASN 13 2HD2 ASN 13 0.633 9.692 -8.569 83 H ASP 14 H ASP 14 -1.544 4.005 -6.537 84 HA ASP 14 HA ASP 14 -1.250 4.012 -3.716 85 1HB ASP 14 2HB ASP 14 -0.359 1.791 -4.055 86 2HB ASP 14 1HB ASP 14 -1.573 2.065 -5.303 87 H GLN 15 H GLN 15 0.492 4.369 -2.353 88 HA GLN 15 HA GLN 15 3.113 5.128 -3.605 89 1HB GLN 15 2HB GLN 15 1.224 6.787 -2.387 90 2HB GLN 15 1HB GLN 15 2.421 6.516 -1.120 91 1HG GLN 15 2HG GLN 15 3.267 7.245 -3.922 92 2HG GLN 15 1HG GLN 15 2.816 8.489 -2.755 93 1HE2 GLN 15 1HE2 GLN 15 4.173 8.708 -0.799 94 2HE2 GLN 15 2HE2 GLN 15 5.740 8.055 -0.758 95 H CYS 16 H CYS 16 2.302 2.551 -2.386 96 HA CYS 16 HA CYS 16 3.517 2.457 0.289 97 1HB CYS 16 2HB CYS 16 2.595 0.288 -1.626 98 2HB CYS 16 1HB CYS 16 2.967 0.059 0.081 99 H CYS 17 H CYS 17 5.296 0.737 0.646 100 HA CYS 17 HA CYS 17 7.532 1.315 -1.179 101 1HB CYS 17 2HB CYS 17 7.190 0.828 1.535 102 2HB CYS 17 1HB CYS 17 7.939 -0.659 0.953 103 H LYS 18 H LYS 18 8.158 -0.014 -2.818 104 HA LYS 18 HA LYS 18 6.733 -2.467 -3.436 105 1HB LYS 18 2HB LYS 18 8.494 -0.592 -4.671 106 2HB LYS 18 1HB LYS 18 9.212 -2.191 -4.864 107 1HG LYS 18 2HG LYS 18 6.478 -2.571 -5.364 108 2HG LYS 18 1HG LYS 18 6.879 -1.059 -6.177 109 1HD LYS 18 2HD LYS 18 8.736 -3.396 -6.472 110 2HD LYS 18 1HD LYS 18 7.244 -3.368 -7.413 111 1HE LYS 18 2HE LYS 18 8.471 -0.763 -7.556 112 2HE LYS 18 1HE LYS 18 9.664 -1.997 -8.002 113 1HZ LYS 18 1HZ LYS 18 8.041 -2.997 -9.483 114 2HZ LYS 18 2HZ LYS 18 8.292 -1.371 -9.905 115 3HZ LYS 18 3HZ LYS 18 6.890 -1.823 -9.061 116 H SER 19 H SER 19 9.802 -1.729 -1.833 117 HA SER 19 HA SER 19 11.104 -4.245 -2.017 118 1HB SER 19 2HB SER 19 11.964 -2.030 -1.137 119 2HB SER 19 1HB SER 19 11.069 -2.346 0.348 120 HG SER 19 HG SER 19 12.748 -3.473 0.905 121 H SER 20 H SER 20 8.596 -3.121 0.256 122 HA SER 20 HA SER 20 8.615 -5.752 1.646 123 1HB SER 20 2HB SER 20 8.548 -3.452 2.768 124 2HB SER 20 1HB SER 20 6.898 -3.313 2.168 125 HG SER 20 HG SER 20 7.984 -5.012 4.108 126 H ASN 21 H ASN 21 7.447 -5.079 -1.212 127 HA ASN 21 HA ASN 21 5.549 -5.667 -2.481 128 1HB ASN 21 2HB ASN 21 5.439 -7.670 -0.197 129 2HB ASN 21 1HB ASN 21 4.614 -7.855 -1.743 130 1HD2 ASN 21 1HD2 ASN 21 7.678 -8.201 -0.115 131 2HD2 ASN 21 2HD2 ASN 21 8.563 -8.722 -1.468 132 H LEU 22 H LEU 22 4.684 -3.475 -1.499 133 HA LEU 22 HA LEU 22 2.208 -4.036 0.105 134 1HB LEU 22 2HB LEU 22 4.053 -1.633 -0.025 135 2HB LEU 22 1HB LEU 22 2.539 -1.659 0.876 136 HG LEU 22 HG LEU 22 4.772 -3.658 1.318 137 1HD1 LEU 22 1HD1 LEU 22 5.126 -2.282 3.443 138 2HD1 LEU 22 2HD1 LEU 22 4.167 -1.020 2.669 139 3HD1 LEU 22 3HD1 LEU 22 5.688 -1.542 1.944 140 1HD2 LEU 22 1HD2 LEU 22 3.521 -3.971 3.486 141 2HD2 LEU 22 2HD2 LEU 22 2.602 -4.455 2.061 142 3HD2 LEU 22 3HD2 LEU 22 2.260 -2.915 2.851 143 H VAL 23 H VAL 23 0.278 -3.346 -0.767 144 HA VAL 23 HA VAL 23 0.350 -1.543 -3.164 145 HB VAL 23 HB VAL 23 -1.481 -3.025 -4.080 146 1HG1 VAL 23 1HG1 VAL 23 0.019 -4.704 -4.910 147 2HG1 VAL 23 2HG1 VAL 23 1.067 -4.553 -3.500 148 3HG1 VAL 23 3HG1 VAL 23 0.975 -3.241 -4.675 149 1HG2 VAL 23 1HG2 VAL 23 -1.800 -5.241 -3.089 150 2HG2 VAL 23 2HG2 VAL 23 -2.146 -4.007 -1.880 151 3HG2 VAL 23 3HG2 VAL 23 -0.615 -4.880 -1.835 152 H CYS 24 H CYS 24 -1.312 0.008 -3.187 153 HA CYS 24 HA CYS 24 -2.717 0.528 -0.705 154 1HB CYS 24 2HB CYS 24 -1.847 2.079 -2.651 155 2HB CYS 24 1HB CYS 24 -3.435 1.765 -3.351 156 H SER 25 H SER 25 -4.801 -0.015 -0.135 157 HA SER 25 HA SER 25 -6.338 -1.753 -2.007 158 1HB SER 25 2HB SER 25 -5.659 -1.912 0.666 159 2HB SER 25 1HB SER 25 -7.310 -1.305 0.740 160 HG SER 25 HG SER 25 -7.936 -3.234 0.236 161 H ARG 26 H ARG 26 -8.647 -1.355 -2.305 162 HA ARG 26 HA ARG 26 -9.327 1.533 -2.336 163 1HB ARG 26 2HB ARG 26 -9.594 -0.057 -4.291 164 2HB ARG 26 1HB ARG 26 -10.868 -0.865 -3.373 165 1HG ARG 26 2HG ARG 26 -12.135 1.237 -3.246 166 2HG ARG 26 1HG ARG 26 -10.853 2.075 -4.122 167 1HD ARG 26 2HD ARG 26 -11.482 -0.176 -5.707 168 2HD ARG 26 1HD ARG 26 -13.039 0.508 -5.197 169 HE ARG 26 HE ARG 26 -12.047 2.763 -5.946 170 1HH1 ARG 26 2HH1 ARG 26 -9.372 1.932 -6.787 171 2HH1 ARG 26 1HH1 ARG 26 -9.560 1.604 -8.478 172 1HH2 ARG 26 1HH2 ARG 26 -13.027 1.385 -8.319 173 2HH2 ARG 26 2HH2 ARG 26 -11.636 1.294 -9.348 174 H LYS 27 H LYS 27 -10.311 -1.463 -0.733 175 HA LYS 27 HA LYS 27 -12.682 -0.239 0.513 176 1HB LYS 27 2HB LYS 27 -12.810 -2.480 1.618 177 2HB LYS 27 1HB LYS 27 -12.675 -2.598 -0.135 178 1HG LYS 27 2HG LYS 27 -10.702 -3.693 -0.001 179 2HG LYS 27 1HG LYS 27 -10.055 -2.534 1.157 180 1HD LYS 27 2HD LYS 27 -10.312 -4.049 2.792 181 2HD LYS 27 1HD LYS 27 -12.053 -4.031 2.517 182 1HE LYS 27 2HE LYS 27 -11.977 -5.899 1.087 183 2HE LYS 27 1HE LYS 27 -10.253 -5.670 0.730 184 1HZ LYS 27 1HZ LYS 27 -11.360 -6.353 3.405 185 2HZ LYS 27 2HZ LYS 27 -9.715 -6.188 3.011 186 3HZ LYS 27 3HZ LYS 27 -10.626 -7.462 2.351 187 H HIS 28 H HIS 28 -9.303 -0.745 1.323 188 HA HIS 28 HA HIS 28 -9.828 0.170 4.130 189 1HB HIS 28 2HB HIS 28 -7.730 -1.535 2.789 190 2HB HIS 28 1HB HIS 28 -7.413 -0.796 4.358 191 HD1 HIS 28 HD1 HIS 28 -7.463 -3.736 4.524 192 HD2 HIS 28 HD2 HIS 28 -11.004 -1.542 4.680 193 HE1 HIS 28 HE1 HIS 28 -9.181 -5.225 5.640 194 H ARG 29 H ARG 29 -8.403 1.096 1.100 195 HA ARG 29 HA ARG 29 -7.127 2.968 0.452 196 1HB ARG 29 2HB ARG 29 -8.817 3.715 2.773 197 2HB ARG 29 1HB ARG 29 -7.502 4.831 2.415 198 1HG ARG 29 2HG ARG 29 -9.206 5.663 1.054 199 2HG ARG 29 1HG ARG 29 -8.343 4.603 -0.060 200 1HD ARG 29 2HD ARG 29 -10.685 4.084 -0.310 201 2HD ARG 29 1HD ARG 29 -9.992 2.761 0.647 202 HE ARG 29 HE ARG 29 -11.268 5.108 1.997 203 1HH1 ARG 29 2HH1 ARG 29 -13.135 2.896 1.143 204 2HH1 ARG 29 1HH1 ARG 29 -13.180 1.902 2.562 205 1HH2 ARG 29 1HH2 ARG 29 -10.345 3.330 3.975 206 2HH2 ARG 29 2HH2 ARG 29 -11.595 2.148 4.168 207 H TRP 30 H TRP 30 -5.626 0.948 1.802 208 HA TRP 30 HA TRP 30 -3.442 2.616 2.901 209 1HB TRP 30 2HB TRP 30 -3.359 1.468 4.995 210 2HB TRP 30 1HB TRP 30 -5.047 1.890 4.748 211 HD1 TRP 30 HD1 TRP 30 -5.248 -0.685 2.521 212 HE1 TRP 30 HE1 TRP 30 -5.655 -3.003 3.555 213 HE3 TRP 30 HE3 TRP 30 -3.826 0.232 7.341 214 HZ2 TRP 30 HZ2 TRP 30 -5.415 -4.304 6.085 215 HZ3 TRP 30 HZ3 TRP 30 -3.929 -1.567 9.040 216 HH2 TRP 30 HH2 TRP 30 -4.721 -3.832 8.419 217 H CYS 31 H CYS 31 -1.469 1.083 3.395 218 HA CYS 31 HA CYS 31 -0.929 -0.439 0.969 219 1HB CYS 31 2HB CYS 31 0.582 -0.011 3.565 220 2HB CYS 31 1HB CYS 31 1.264 -0.805 2.148 221 H LYS 32 H LYS 32 -1.101 -2.623 0.684 222 HA LYS 32 HA LYS 32 -1.714 -4.326 3.082 223 1HB LYS 32 2HB LYS 32 -2.978 -3.918 0.446 224 2HB LYS 32 1HB LYS 32 -2.767 -5.614 0.881 225 1HG LYS 32 2HG LYS 32 -3.737 -4.008 3.125 226 2HG LYS 32 1HG LYS 32 -4.832 -3.960 1.743 227 1HD LYS 32 2HD LYS 32 -4.977 -6.370 1.683 228 2HD LYS 32 1HD LYS 32 -3.702 -6.526 2.893 229 1HE LYS 32 2HE LYS 32 -5.189 -5.274 4.513 230 2HE LYS 32 1HE LYS 32 -6.487 -5.389 3.308 231 1HZ LYS 32 1HZ LYS 32 -6.200 -7.785 3.261 232 2HZ LYS 32 2HZ LYS 32 -6.542 -7.271 4.843 233 3HZ LYS 32 3HZ LYS 32 -4.953 -7.688 4.409 234 H TYR 33 H TYR 33 -0.643 -6.344 3.175 235 HA TYR 33 HA TYR 33 1.785 -6.597 1.518 236 1HB TYR 33 2HB TYR 33 1.102 -7.124 4.131 237 2HB TYR 33 1HB TYR 33 1.039 -8.735 3.416 238 HD1 TYR 33 HD1 TYR 33 3.071 -9.332 1.812 239 HD2 TYR 33 HD2 TYR 33 3.160 -6.302 4.856 240 HE1 TYR 33 HE1 TYR 33 5.548 -9.444 1.852 241 HE2 TYR 33 HE2 TYR 33 5.636 -6.415 4.895 242 HH TYR 33 HH TYR 33 7.467 -7.423 2.711 243 H GLU 34 H GLU 34 1.579 -7.588 -0.456 244 HA GLU 34 HA GLU 34 -0.637 -9.279 -1.203 245 1HB GLU 34 2HB GLU 34 0.705 -9.600 -3.249 246 2HB GLU 34 1HB GLU 34 0.728 -7.908 -2.756 247 1HG GLU 34 2HG GLU 34 2.983 -8.055 -2.877 248 2HG GLU 34 1HG GLU 34 2.890 -8.992 -1.387 249 H ILE 35 H ILE 35 -0.501 -11.589 -1.759 250 HA ILE 35 HA ILE 35 1.110 -13.110 0.208 251 HB ILE 35 HB ILE 35 -1.016 -13.927 -1.806 252 1HG1 ILE 35 1HG1 ILE 35 -1.931 -12.378 -0.159 253 2HG1 ILE 35 2HG1 ILE 35 -2.489 -14.004 0.223 254 1HG2 ILE 35 1HG2 ILE 35 0.312 -15.396 0.483 255 2HG2 ILE 35 2HG2 ILE 35 -1.208 -15.924 -0.241 256 3HG2 ILE 35 3HG2 ILE 35 0.260 -15.867 -1.216 257 1HD1 ILE 35 1HD1 ILE 35 -0.365 -14.090 1.762 258 2HD1 ILE 35 2HD1 ILE 35 -0.433 -12.331 1.645 259 3HD1 ILE 35 3HD1 ILE 35 -1.797 -13.224 2.318 260 1HN NH2 36 1HN NH2 36 2.569 -12.845 -3.462 261 2HN NH2 36 2HN NH2 36 1.418 -11.796 -2.606 Start of MODEL 12 1 1H GLU 1 1H GLU 1 6.834 10.970 1.368 2 2H GLU 1 2H GLU 1 5.534 10.836 2.454 3 3H GLU 1 3H GLU 1 5.560 12.090 1.309 4 HA GLU 1 HA GLU 1 4.017 10.327 0.639 5 1HB GLU 1 2HB GLU 1 5.855 11.752 -0.787 6 2HB GLU 1 1HB GLU 1 6.279 10.111 -1.272 7 1HG GLU 1 2HG GLU 1 3.379 10.784 -1.237 8 2HG GLU 1 1HG GLU 1 4.349 11.527 -2.509 9 H CYS 2 H CYS 2 5.019 8.793 2.629 10 HA CYS 2 HA CYS 2 5.530 6.205 1.302 11 1HB CYS 2 2HB CYS 2 7.782 6.902 1.468 12 2HB CYS 2 1HB CYS 2 7.510 7.714 3.009 13 H LEU 3 H LEU 3 4.107 4.870 2.343 14 HA LEU 3 HA LEU 3 3.517 5.372 5.242 15 1HB LEU 3 2HB LEU 3 1.961 4.023 3.011 16 2HB LEU 3 1HB LEU 3 1.410 4.115 4.683 17 HG LEU 3 HG LEU 3 2.033 6.501 2.914 18 1HD1 LEU 3 1HD1 LEU 3 -0.010 5.300 2.229 19 2HD1 LEU 3 2HD1 LEU 3 -0.410 6.855 2.958 20 3HD1 LEU 3 3HD1 LEU 3 -0.608 5.368 3.886 21 1HD2 LEU 3 1HD2 LEU 3 1.309 6.151 5.797 22 2HD2 LEU 3 2HD2 LEU 3 0.624 7.528 4.935 23 3HD2 LEU 3 3HD2 LEU 3 2.374 7.339 5.047 24 H GLY 4 H GLY 4 3.659 3.614 6.693 25 1HA GLY 4 2HA GLY 4 5.450 1.450 5.932 26 2HA GLY 4 1HA GLY 4 4.703 1.665 7.514 27 H PHE 5 H PHE 5 4.752 -0.872 6.721 28 HA PHE 5 HA PHE 5 2.595 -1.767 5.032 29 1HB PHE 5 2HB PHE 5 4.517 -3.155 5.533 30 2HB PHE 5 1HB PHE 5 4.205 -3.045 7.264 31 HD1 PHE 5 HD1 PHE 5 2.590 -4.452 8.336 32 HD2 PHE 5 HD2 PHE 5 2.914 -4.405 4.052 33 HE1 PHE 5 HE1 PHE 5 1.114 -6.439 8.202 34 HE2 PHE 5 HE2 PHE 5 1.439 -6.395 3.922 35 HZ PHE 5 HZ PHE 5 0.539 -7.411 5.995 36 H GLY 6 H GLY 6 0.464 -2.256 5.546 37 1HA GLY 6 2HA GLY 6 -1.503 -2.451 6.810 38 2HA GLY 6 1HA GLY 6 -0.500 -2.580 8.254 39 H LYS 7 H LYS 7 -0.717 0.074 5.872 40 HA LYS 7 HA LYS 7 -1.496 1.904 8.123 41 1HB LYS 7 2HB LYS 7 0.824 2.081 7.095 42 2HB LYS 7 1HB LYS 7 0.038 2.559 5.590 43 1HG LYS 7 2HG LYS 7 0.353 4.653 6.494 44 2HG LYS 7 1HG LYS 7 -1.198 4.273 7.241 45 1HD LYS 7 2HD LYS 7 0.010 3.385 9.231 46 2HD LYS 7 1HD LYS 7 1.536 3.871 8.492 47 1HE LYS 7 2HE LYS 7 -0.681 5.891 8.856 48 2HE LYS 7 1HE LYS 7 0.429 5.517 10.187 49 1HZ LYS 7 1HZ LYS 7 1.751 7.006 9.166 50 2HZ LYS 7 2HZ LYS 7 0.955 6.866 7.673 51 3HZ LYS 7 3HZ LYS 7 2.128 5.722 8.124 52 H GLY 8 H GLY 8 -3.410 2.995 7.828 53 1HA GLY 8 2HA GLY 8 -5.180 2.443 5.673 54 2HA GLY 8 1HA GLY 8 -5.363 3.787 6.801 55 H CYS 9 H CYS 9 -4.955 3.077 3.590 56 HA CYS 9 HA CYS 9 -4.065 5.861 3.002 57 1HB CYS 9 2HB CYS 9 -2.353 5.061 1.490 58 2HB CYS 9 1HB CYS 9 -2.119 4.235 3.030 59 H ASN 10 H ASN 10 -4.334 6.255 0.534 60 HA ASN 10 HA ASN 10 -6.973 5.161 -0.286 61 1HB ASN 10 2HB ASN 10 -5.225 7.506 -1.032 62 2HB ASN 10 1HB ASN 10 -6.585 7.042 -2.056 63 1HD2 ASN 10 1HD2 ASN 10 -5.751 8.921 0.655 64 2HD2 ASN 10 2HD2 ASN 10 -7.312 9.139 1.287 65 HA PRO 11 HA PRO 11 -4.968 2.442 -3.171 66 1HB PRO 11 2HB PRO 11 -7.172 1.820 -4.676 67 2HB PRO 11 1HB PRO 11 -6.865 1.128 -3.070 68 1HG PRO 11 2HG PRO 11 -8.667 3.369 -3.853 69 2HG PRO 11 1HG PRO 11 -8.928 2.069 -2.679 70 1HD PRO 11 2HD PRO 11 -8.239 4.592 -1.958 71 2HD PRO 11 1HD PRO 11 -7.778 3.156 -1.017 72 H SER 12 H SER 12 -6.986 5.166 -4.209 73 HA SER 12 HA SER 12 -6.187 5.163 -6.991 74 1HB SER 12 2HB SER 12 -8.208 6.246 -5.860 75 2HB SER 12 1HB SER 12 -7.106 7.497 -5.292 76 HG SER 12 HG SER 12 -7.595 8.333 -7.181 77 H ASN 13 H ASN 13 -5.049 6.985 -4.119 78 HA ASN 13 HA ASN 13 -2.946 8.350 -5.649 79 1HB ASN 13 2HB ASN 13 -4.325 9.142 -3.589 80 2HB ASN 13 1HB ASN 13 -3.196 8.168 -2.647 81 1HD2 ASN 13 1HD2 ASN 13 -3.582 11.188 -4.335 82 2HD2 ASN 13 2HD2 ASN 13 -1.996 11.749 -4.113 83 H ASP 14 H ASP 14 -3.115 5.750 -3.222 84 HA ASP 14 HA ASP 14 -1.567 4.090 -2.608 85 1HB ASP 14 2HB ASP 14 -1.736 4.096 -5.271 86 2HB ASP 14 1HB ASP 14 -0.054 4.614 -5.140 87 H GLN 15 H GLN 15 -0.752 5.601 -0.927 88 HA GLN 15 HA GLN 15 1.806 6.985 -1.587 89 1HB GLN 15 2HB GLN 15 -0.217 8.035 -0.400 90 2HB GLN 15 1HB GLN 15 0.227 7.045 0.989 91 1HG GLN 15 2HG GLN 15 1.687 8.656 1.576 92 2HG GLN 15 1HG GLN 15 2.629 8.237 0.146 93 1HE2 GLN 15 1HE2 GLN 15 1.439 10.902 1.600 94 2HE2 GLN 15 2HE2 GLN 15 1.054 11.852 0.248 95 H CYS 16 H CYS 16 1.327 3.915 -1.005 96 HA CYS 16 HA CYS 16 2.726 3.385 1.486 97 1HB CYS 16 2HB CYS 16 2.122 1.740 -0.991 98 2HB CYS 16 1HB CYS 16 2.806 1.068 0.488 99 H CYS 17 H CYS 17 4.924 2.589 1.687 100 HA CYS 17 HA CYS 17 6.837 3.930 -0.046 101 1HB CYS 17 2HB CYS 17 6.731 2.800 2.534 102 2HB CYS 17 1HB CYS 17 7.950 1.868 1.665 103 H LYS 18 H LYS 18 7.689 3.137 -1.908 104 HA LYS 18 HA LYS 18 7.034 0.474 -2.892 105 1HB LYS 18 2HB LYS 18 8.085 2.998 -3.831 106 2HB LYS 18 1HB LYS 18 9.090 1.678 -4.429 107 1HG LYS 18 2HG LYS 18 6.223 1.086 -4.590 108 2HG LYS 18 1HG LYS 18 6.688 2.497 -5.541 109 1HD LYS 18 2HD LYS 18 8.144 1.277 -6.894 110 2HD LYS 18 1HD LYS 18 8.361 0.007 -5.690 111 1HE LYS 18 2HE LYS 18 6.072 -0.800 -6.082 112 2HE LYS 18 1HE LYS 18 5.797 0.510 -7.247 113 1HZ LYS 18 1HZ LYS 18 7.663 -0.293 -8.552 114 2HZ LYS 18 2HZ LYS 18 6.512 -1.528 -8.362 115 3HZ LYS 18 3HZ LYS 18 7.939 -1.545 -7.441 116 H SER 19 H SER 19 9.738 1.855 -1.139 117 HA SER 19 HA SER 19 11.851 0.110 -1.874 118 1HB SER 19 2HB SER 19 12.749 0.767 0.354 119 2HB SER 19 1HB SER 19 12.084 2.144 -0.519 120 HG SER 19 HG SER 19 10.681 2.368 1.022 121 H SER 20 H SER 20 9.220 -0.357 0.498 122 HA SER 20 HA SER 20 10.261 -3.089 1.115 123 1HB SER 20 2HB SER 20 9.057 -0.979 2.581 124 2HB SER 20 1HB SER 20 7.884 -2.292 2.554 125 HG SER 20 HG SER 20 10.434 -2.166 3.671 126 H ASN 21 H ASN 21 8.759 -2.207 -1.434 127 HA ASN 21 HA ASN 21 7.062 -3.038 -2.836 128 1HB ASN 21 2HB ASN 21 7.853 -5.293 -1.003 129 2HB ASN 21 1HB ASN 21 6.578 -5.541 -2.196 130 1HD2 ASN 21 1HD2 ASN 21 10.031 -4.652 -1.863 131 2HD2 ASN 21 2HD2 ASN 21 10.446 -5.038 -3.463 132 H LEU 22 H LEU 22 5.895 -1.318 -1.160 133 HA LEU 22 HA LEU 22 3.545 -2.740 0.051 134 1HB LEU 22 2HB LEU 22 4.836 -0.046 0.592 135 2HB LEU 22 1HB LEU 22 3.357 -0.600 1.372 136 HG LEU 22 HG LEU 22 5.907 -2.220 1.455 137 1HD1 LEU 22 1HD1 LEU 22 6.119 -1.235 3.802 138 2HD1 LEU 22 2HD1 LEU 22 4.968 -0.002 3.287 139 3HD1 LEU 22 3HD1 LEU 22 6.527 -0.147 2.475 140 1HD2 LEU 22 1HD2 LEU 22 3.406 -2.131 3.175 141 2HD2 LEU 22 2HD2 LEU 22 4.794 -3.181 3.458 142 3HD2 LEU 22 3HD2 LEU 22 3.814 -3.388 2.007 143 H VAL 23 H VAL 23 1.541 -2.296 -0.789 144 HA VAL 23 HA VAL 23 1.186 0.089 -2.557 145 HB VAL 23 HB VAL 23 -0.059 -1.482 -4.132 146 1HG1 VAL 23 1HG1 VAL 23 2.342 -0.676 -4.422 147 2HG1 VAL 23 2HG1 VAL 23 1.928 -2.165 -5.271 148 3HG1 VAL 23 3HG1 VAL 23 2.849 -2.234 -3.770 149 1HG2 VAL 23 1HG2 VAL 23 -0.297 -3.305 -2.384 150 2HG2 VAL 23 2HG2 VAL 23 1.422 -3.640 -2.597 151 3HG2 VAL 23 3HG2 VAL 23 0.307 -3.860 -3.946 152 H CYS 24 H CYS 24 -0.899 0.988 -2.393 153 HA CYS 24 HA CYS 24 -2.489 0.362 -0.086 154 1HB CYS 24 2HB CYS 24 -2.845 2.026 -2.579 155 2HB CYS 24 1HB CYS 24 -4.135 1.903 -1.383 156 H SER 25 H SER 25 -3.875 -1.325 0.153 157 HA SER 25 HA SER 25 -4.642 -3.050 -2.066 158 1HB SER 25 2HB SER 25 -4.206 -3.519 0.478 159 2HB SER 25 1HB SER 25 -5.886 -3.032 0.681 160 HG SER 25 HG SER 25 -5.760 -5.257 0.331 161 H ARG 26 H ARG 26 -6.896 -3.501 -2.663 162 HA ARG 26 HA ARG 26 -8.543 -1.040 -2.780 163 1HB ARG 26 2HB ARG 26 -8.146 -3.527 -4.285 164 2HB ARG 26 1HB ARG 26 -9.851 -3.113 -4.104 165 1HG ARG 26 2HG ARG 26 -9.124 -2.010 -6.094 166 2HG ARG 26 1HG ARG 26 -9.221 -0.756 -4.858 167 1HD ARG 26 2HD ARG 26 -7.069 -0.251 -5.405 168 2HD ARG 26 1HD ARG 26 -6.618 -1.765 -4.599 169 HE ARG 26 HE ARG 26 -6.388 -2.782 -6.730 170 1HH1 ARG 26 1HH2 ARG 26 -6.041 0.278 -7.465 171 2HH1 ARG 26 2HH2 ARG 26 -6.946 0.311 -8.942 172 1HH2 ARG 26 2HH1 ARG 26 -8.440 -2.781 -8.408 173 2HH2 ARG 26 1HH1 ARG 26 -8.307 -1.424 -9.476 174 H LYS 27 H LYS 27 -8.763 -4.390 -1.570 175 HA LYS 27 HA LYS 27 -11.456 -4.034 -0.472 176 1HB LYS 27 2HB LYS 27 -10.394 -6.167 -1.359 177 2HB LYS 27 1HB LYS 27 -9.377 -6.175 0.082 178 1HG LYS 27 2HG LYS 27 -11.756 -5.880 1.284 179 2HG LYS 27 1HG LYS 27 -12.301 -6.703 -0.178 180 1HD LYS 27 2HD LYS 27 -10.792 -8.555 0.228 181 2HD LYS 27 1HD LYS 27 -10.048 -7.708 1.583 182 1HE LYS 27 2HE LYS 27 -11.548 -8.962 2.806 183 2HE LYS 27 1HE LYS 27 -12.665 -7.657 2.359 184 1HZ LYS 27 1HZ LYS 27 -13.224 -8.891 0.341 185 2HZ LYS 27 2HZ LYS 27 -13.582 -9.802 1.729 186 3HZ LYS 27 3HZ LYS 27 -12.197 -10.156 0.812 187 H HIS 28 H HIS 28 -8.123 -4.090 0.815 188 HA HIS 28 HA HIS 28 -9.089 -3.611 3.575 189 1HB HIS 28 2HB HIS 28 -6.355 -3.968 2.308 190 2HB HIS 28 1HB HIS 28 -6.621 -3.782 4.041 191 HD1 HIS 28 HD1 HIS 28 -5.459 -6.409 2.707 192 HD2 HIS 28 HD2 HIS 28 -9.434 -5.835 3.820 193 HE1 HIS 28 HE1 HIS 28 -6.451 -8.716 3.038 194 H ARG 29 H ARG 29 -7.895 -1.772 0.861 195 HA ARG 29 HA ARG 29 -7.412 0.516 0.594 196 1HB ARG 29 2HB ARG 29 -9.180 0.486 3.060 197 2HB ARG 29 1HB ARG 29 -8.726 1.963 2.210 198 1HG ARG 29 2HG ARG 29 -9.966 1.422 0.317 199 2HG ARG 29 1HG ARG 29 -9.897 -0.310 0.641 200 1HD ARG 29 2HD ARG 29 -11.360 1.508 2.552 201 2HD ARG 29 1HD ARG 29 -12.157 0.938 1.073 202 HE ARG 29 HE ARG 29 -11.400 -1.413 1.878 203 1HH1 ARG 29 2HH1 ARG 29 -13.921 -0.553 3.180 204 2HH1 ARG 29 1HH1 ARG 29 -13.566 -0.740 4.864 205 1HH2 ARG 29 1HH2 ARG 29 -10.125 -0.875 4.394 206 2HH2 ARG 29 2HH2 ARG 29 -11.410 -0.923 5.554 207 H TRP 30 H TRP 30 -5.361 -0.971 1.903 208 HA TRP 30 HA TRP 30 -4.080 1.208 3.440 209 1HB TRP 30 2HB TRP 30 -3.760 -0.093 5.412 210 2HB TRP 30 1HB TRP 30 -5.445 -0.323 4.973 211 HD1 TRP 30 HD1 TRP 30 -4.365 -2.451 2.524 212 HE1 TRP 30 HE1 TRP 30 -3.926 -4.866 3.291 213 HE3 TRP 30 HE3 TRP 30 -3.961 -1.714 7.559 214 HZ2 TRP 30 HZ2 TRP 30 -3.467 -6.304 5.719 215 HZ3 TRP 30 HZ3 TRP 30 -3.525 -3.624 9.075 216 HH2 TRP 30 HH2 TRP 30 -3.278 -5.916 8.163 217 H CYS 31 H CYS 31 -1.702 0.431 4.016 218 HA CYS 31 HA CYS 31 -0.426 -0.325 1.536 219 1HB CYS 31 2HB CYS 31 0.462 0.063 4.397 220 2HB CYS 31 1HB CYS 31 1.600 -0.434 3.148 221 H LYS 32 H LYS 32 -0.466 -2.378 0.749 222 HA LYS 32 HA LYS 32 -0.220 -4.663 2.683 223 1HB LYS 32 2HB LYS 32 -2.427 -4.492 1.614 224 2HB LYS 32 1HB LYS 32 -1.671 -4.427 0.023 225 1HG LYS 32 2HG LYS 32 -1.659 -6.674 -0.066 226 2HG LYS 32 1HG LYS 32 -0.652 -6.727 1.380 227 1HD LYS 32 2HD LYS 32 -2.809 -6.404 2.719 228 2HD LYS 32 1HD LYS 32 -3.670 -6.752 1.219 229 1HE LYS 32 2HE LYS 32 -2.337 -8.909 1.060 230 2HE LYS 32 1HE LYS 32 -1.757 -8.581 2.705 231 1HZ LYS 32 1HZ LYS 32 -3.790 -9.924 2.719 232 2HZ LYS 32 2HZ LYS 32 -4.615 -8.694 1.886 233 3HZ LYS 32 3HZ LYS 32 -4.036 -8.418 3.460 234 H TYR 33 H TYR 33 1.239 -6.330 2.079 235 HA TYR 33 HA TYR 33 3.417 -5.563 0.301 236 1HB TYR 33 2HB TYR 33 3.699 -6.830 2.410 237 2HB TYR 33 1HB TYR 33 2.753 -8.158 1.738 238 HD1 TYR 33 HD1 TYR 33 5.770 -6.060 0.981 239 HD2 TYR 33 HD2 TYR 33 3.847 -9.880 0.597 240 HE1 TYR 33 HE1 TYR 33 7.811 -6.980 -0.082 241 HE2 TYR 33 HE2 TYR 33 5.888 -10.801 -0.467 242 HH TYR 33 HH TYR 33 8.033 -9.347 -1.888 243 H GLU 34 H GLU 34 3.661 -6.142 -1.831 244 HA GLU 34 HA GLU 34 1.489 -7.334 -3.309 245 1HB GLU 34 2HB GLU 34 3.219 -7.256 -5.170 246 2HB GLU 34 1HB GLU 34 2.950 -5.724 -4.343 247 1HG GLU 34 2HG GLU 34 5.091 -5.639 -3.634 248 2HG GLU 34 1HG GLU 34 5.022 -7.291 -3.021 249 H ILE 35 H ILE 35 1.002 -9.449 -2.766 250 HA ILE 35 HA ILE 35 3.126 -11.482 -2.457 251 HB ILE 35 HB ILE 35 0.094 -11.626 -2.264 252 1HG1 ILE 35 1HG1 ILE 35 2.002 -11.693 0.065 253 2HG1 ILE 35 2HG1 ILE 35 1.540 -10.141 -0.630 254 1HG2 ILE 35 1HG2 ILE 35 2.303 -13.604 -1.848 255 2HG2 ILE 35 2HG2 ILE 35 0.922 -13.660 -0.752 256 3HG2 ILE 35 3HG2 ILE 35 0.679 -13.855 -2.488 257 1HD1 ILE 35 1HD1 ILE 35 -0.745 -11.931 -0.220 258 2HD1 ILE 35 2HD1 ILE 35 0.094 -11.527 1.277 259 3HD1 ILE 35 3HD1 ILE 35 -0.543 -10.244 0.249 260 1HN NH2 36 1HN NH2 36 2.375 -11.387 -6.183 261 2HN NH2 36 2HN NH2 36 2.779 -10.161 -4.962 Start of MODEL 13 1 1H GLU 1 1H GLU 1 9.724 7.570 3.779 2 2H GLU 1 2H GLU 1 10.710 8.859 3.279 3 3H GLU 1 3H GLU 1 10.553 7.477 2.303 4 HA GLU 1 HA GLU 1 8.381 9.421 2.928 5 1HB GLU 1 2HB GLU 1 10.319 8.950 0.674 6 2HB GLU 1 1HB GLU 1 8.734 9.638 0.319 7 1HG GLU 1 2HG GLU 1 9.222 11.331 2.185 8 2HG GLU 1 1HG GLU 1 10.892 10.765 2.112 9 H CYS 2 H CYS 2 7.464 7.123 3.639 10 HA CYS 2 HA CYS 2 5.847 6.130 1.368 11 1HB CYS 2 2HB CYS 2 6.606 3.828 1.668 12 2HB CYS 2 1HB CYS 2 8.009 4.855 1.384 13 H LEU 3 H LEU 3 4.398 4.211 2.342 14 HA LEU 3 HA LEU 3 3.379 5.185 4.986 15 1HB LEU 3 2HB LEU 3 2.075 3.765 2.643 16 2HB LEU 3 1HB LEU 3 1.242 4.141 4.151 17 HG LEU 3 HG LEU 3 2.610 6.230 2.434 18 1HD1 LEU 3 1HD1 LEU 3 -0.360 5.683 2.620 19 2HD1 LEU 3 2HD1 LEU 3 0.649 5.039 1.325 20 3HD1 LEU 3 3HD1 LEU 3 0.468 6.783 1.518 21 1HD2 LEU 3 1HD2 LEU 3 0.730 6.321 4.809 22 2HD2 LEU 3 2HD2 LEU 3 1.072 7.727 3.801 23 3HD2 LEU 3 3HD2 LEU 3 2.371 6.959 4.714 24 H GLY 4 H GLY 4 3.110 3.704 6.657 25 1HA GLY 4 2HA GLY 4 4.573 1.203 6.508 26 2HA GLY 4 1HA GLY 4 3.637 1.771 7.890 27 H PHE 5 H PHE 5 3.270 -0.783 7.597 28 HA PHE 5 HA PHE 5 1.313 -1.606 5.621 29 1HB PHE 5 2HB PHE 5 2.809 -3.217 6.582 30 2HB PHE 5 1HB PHE 5 2.378 -2.737 8.222 31 HD1 PHE 5 HD1 PHE 5 0.786 -3.986 9.378 32 HD2 PHE 5 HD2 PHE 5 0.780 -4.044 5.083 33 HE1 PHE 5 HE1 PHE 5 -1.032 -5.670 9.404 34 HE2 PHE 5 HE2 PHE 5 -1.039 -5.729 5.110 35 HZ PHE 5 HZ PHE 5 -1.945 -6.541 7.269 36 H GLY 6 H GLY 6 -0.886 -1.405 5.722 37 1HA GLY 6 2HA GLY 6 -3.041 -1.228 6.681 38 2HA GLY 6 1HA GLY 6 -2.299 -1.197 8.280 39 H LYS 7 H LYS 7 -1.516 0.959 5.562 40 HA LYS 7 HA LYS 7 -2.549 3.256 7.200 41 1HB LYS 7 2HB LYS 7 -0.005 2.682 5.782 42 2HB LYS 7 1HB LYS 7 -0.627 4.320 5.582 43 1HG LYS 7 2HG LYS 7 -0.985 4.111 8.220 44 2HG LYS 7 1HG LYS 7 0.325 2.942 8.056 45 1HD LYS 7 2HD LYS 7 1.543 4.894 8.353 46 2HD LYS 7 1HD LYS 7 1.420 4.859 6.594 47 1HE LYS 7 2HE LYS 7 -0.435 6.423 6.622 48 2HE LYS 7 1HE LYS 7 -0.526 6.347 8.393 49 1HZ LYS 7 1HZ LYS 7 1.662 7.243 8.572 50 2HZ LYS 7 2HZ LYS 7 0.782 8.265 7.539 51 3HZ LYS 7 3HZ LYS 7 1.906 7.166 6.895 52 H GLY 8 H GLY 8 -3.713 4.858 6.062 53 1HA GLY 8 2HA GLY 8 -5.261 4.146 3.830 54 2HA GLY 8 1HA GLY 8 -4.957 5.814 4.314 55 H CYS 9 H CYS 9 -4.683 3.798 1.749 56 HA CYS 9 HA CYS 9 -2.532 5.461 0.518 57 1HB CYS 9 2HB CYS 9 -1.320 3.564 1.260 58 2HB CYS 9 1HB CYS 9 -2.645 2.465 0.885 59 H ASN 10 H ASN 10 -2.741 5.615 -1.781 60 HA ASN 10 HA ASN 10 -5.398 4.758 -2.847 61 1HB ASN 10 2HB ASN 10 -3.431 6.961 -3.323 62 2HB ASN 10 1HB ASN 10 -4.416 6.448 -4.693 63 1HD2 ASN 10 1HD2 ASN 10 -6.203 7.816 -4.855 64 2HD2 ASN 10 2HD2 ASN 10 -7.119 8.381 -3.542 65 HA PRO 11 HA PRO 11 -3.295 1.676 -5.239 66 1HB PRO 11 2HB PRO 11 -5.251 1.213 -7.102 67 2HB PRO 11 1HB PRO 11 -5.329 0.604 -5.437 68 1HG PRO 11 2HG PRO 11 -6.661 2.980 -6.646 69 2HG PRO 11 1HG PRO 11 -7.292 1.802 -5.484 70 1HD PRO 11 2HD PRO 11 -6.428 4.273 -4.765 71 2HD PRO 11 1HD PRO 11 -6.332 2.861 -3.688 72 H SER 12 H SER 12 -4.730 4.533 -6.783 73 HA SER 12 HA SER 12 -3.404 4.224 -9.344 74 1HB SER 12 2HB SER 12 -4.736 6.494 -7.853 75 2HB SER 12 1HB SER 12 -4.073 6.700 -9.472 76 HG SER 12 HG SER 12 -6.271 5.219 -8.588 77 H ASN 13 H ASN 13 -2.652 6.075 -6.376 78 HA ASN 13 HA ASN 13 -0.156 7.129 -7.545 79 1HB ASN 13 2HB ASN 13 -1.986 8.032 -5.734 80 2HB ASN 13 1HB ASN 13 -0.743 7.402 -4.653 81 1HD2 ASN 13 1HD2 ASN 13 -1.258 9.697 -7.359 82 2HD2 ASN 13 2HD2 ASN 13 0.102 10.652 -7.013 83 H ASP 14 H ASP 14 -1.145 4.794 -5.058 84 HA ASP 14 HA ASP 14 0.034 3.070 -3.979 85 1HB ASP 14 2HB ASP 14 0.547 2.866 -6.575 86 2HB ASP 14 1HB ASP 14 2.174 3.325 -6.070 87 H GLN 15 H GLN 15 0.570 4.459 -2.161 88 HA GLN 15 HA GLN 15 3.343 5.597 -2.197 89 1HB GLN 15 2HB GLN 15 0.769 6.236 -0.763 90 2HB GLN 15 1HB GLN 15 2.311 6.816 -0.130 91 1HG GLN 15 2HG GLN 15 2.588 7.504 -2.740 92 2HG GLN 15 1HG GLN 15 0.838 7.640 -2.571 93 1HE2 GLN 15 1HE2 GLN 15 3.910 9.066 -1.628 94 2HE2 GLN 15 2HE2 GLN 15 3.253 10.374 -0.768 95 H CYS 16 H CYS 16 2.474 2.701 -1.591 96 HA CYS 16 HA CYS 16 2.907 2.366 1.288 97 1HB CYS 16 2HB CYS 16 2.732 0.518 -1.107 98 2HB CYS 16 1HB CYS 16 2.976 -0.078 0.534 99 H CYS 17 H CYS 17 4.786 1.263 2.202 100 HA CYS 17 HA CYS 17 7.316 2.119 1.010 101 1HB CYS 17 2HB CYS 17 6.333 1.645 3.537 102 2HB CYS 17 1HB CYS 17 7.343 0.224 3.273 103 H LYS 18 H LYS 18 8.367 0.940 -0.528 104 HA LYS 18 HA LYS 18 7.670 -1.823 -1.143 105 1HB LYS 18 2HB LYS 18 8.398 -0.074 -2.780 106 2HB LYS 18 1HB LYS 18 10.002 -0.098 -2.046 107 1HG LYS 18 2HG LYS 18 10.577 -1.995 -3.129 108 2HG LYS 18 1HG LYS 18 9.053 -2.780 -2.716 109 1HD LYS 18 2HD LYS 18 8.224 -0.919 -4.552 110 2HD LYS 18 1HD LYS 18 9.819 -1.342 -5.174 111 1HE LYS 18 2HE LYS 18 7.920 -3.528 -4.325 112 2HE LYS 18 1HE LYS 18 7.773 -2.791 -5.933 113 1HZ LYS 18 1HZ LYS 18 9.313 -4.653 -5.994 114 2HZ LYS 18 2HZ LYS 18 10.254 -3.951 -4.767 115 3HZ LYS 18 3HZ LYS 18 10.139 -3.202 -6.289 116 H SER 19 H SER 19 10.111 -0.241 0.838 117 HA SER 19 HA SER 19 12.091 -2.277 1.003 118 1HB SER 19 2HB SER 19 11.055 -0.167 2.907 119 2HB SER 19 1HB SER 19 12.451 -1.169 3.293 120 HG SER 19 HG SER 19 12.184 0.913 1.513 121 H SER 20 H SER 20 8.992 -1.907 2.722 122 HA SER 20 HA SER 20 9.510 -4.404 4.267 123 1HB SER 20 2HB SER 20 8.660 -2.189 5.245 124 2HB SER 20 1HB SER 20 7.146 -2.516 4.406 125 HG SER 20 HG SER 20 8.079 -3.538 6.714 126 H ASN 21 H ASN 21 8.752 -4.169 1.251 127 HA ASN 21 HA ASN 21 7.361 -5.303 -0.273 128 1HB ASN 21 2HB ASN 21 8.255 -6.984 1.748 129 2HB ASN 21 1HB ASN 21 6.521 -7.304 1.711 130 1HD2 ASN 21 1HD2 ASN 21 9.348 -7.038 -0.517 131 2HD2 ASN 21 2HD2 ASN 21 8.765 -8.185 -1.624 132 H LEU 22 H LEU 22 5.956 -3.191 0.449 133 HA LEU 22 HA LEU 22 3.276 -4.212 1.348 134 1HB LEU 22 2HB LEU 22 4.679 -1.552 1.738 135 2HB LEU 22 1HB LEU 22 2.983 -1.819 2.137 136 HG LEU 22 HG LEU 22 5.267 -3.462 3.267 137 1HD1 LEU 22 1HD1 LEU 22 4.921 -2.180 5.335 138 2HD1 LEU 22 2HD1 LEU 22 3.687 -1.205 4.537 139 3HD1 LEU 22 3HD1 LEU 22 5.368 -1.100 4.015 140 1HD2 LEU 22 1HD2 LEU 22 3.440 -4.065 4.933 141 2HD2 LEU 22 2HD2 LEU 22 3.200 -4.696 3.305 142 3HD2 LEU 22 3HD2 LEU 22 2.296 -3.281 3.844 143 H VAL 23 H VAL 23 1.603 -3.883 -0.056 144 HA VAL 23 HA VAL 23 2.028 -2.032 -2.384 145 HB VAL 23 HB VAL 23 0.650 -3.702 -3.660 146 1HG1 VAL 23 1HG1 VAL 23 3.185 -3.725 -3.574 147 2HG1 VAL 23 2HG1 VAL 23 2.438 -5.268 -3.987 148 3HG1 VAL 23 3HG1 VAL 23 3.057 -4.996 -2.358 149 1HG2 VAL 23 1HG2 VAL 23 1.095 -5.551 -1.306 150 2HG2 VAL 23 2HG2 VAL 23 0.079 -5.818 -2.723 151 3HG2 VAL 23 3HG2 VAL 23 -0.400 -4.636 -1.504 152 H CYS 24 H CYS 24 0.030 -1.012 -3.174 153 HA CYS 24 HA CYS 24 -1.813 -0.343 -1.000 154 1HB CYS 24 2HB CYS 24 -0.807 1.030 -3.054 155 2HB CYS 24 1HB CYS 24 -2.271 0.447 -3.848 156 H SER 25 H SER 25 -4.098 -0.732 -1.013 157 HA SER 25 HA SER 25 -4.954 -3.051 -2.720 158 1HB SER 25 2HB SER 25 -5.639 -2.160 0.092 159 2HB SER 25 1HB SER 25 -6.524 -3.431 -0.747 160 HG SER 25 HG SER 25 -4.848 -4.315 0.490 161 H ARG 26 H ARG 26 -7.428 -3.087 -3.000 162 HA ARG 26 HA ARG 26 -8.374 -0.336 -3.709 163 1HB ARG 26 2HB ARG 26 -8.087 -2.242 -5.406 164 2HB ARG 26 1HB ARG 26 -9.461 -3.014 -4.613 165 1HG ARG 26 2HG ARG 26 -10.855 -1.041 -5.065 166 2HG ARG 26 1HG ARG 26 -9.485 -0.234 -5.828 167 1HD ARG 26 2HD ARG 26 -10.123 -2.940 -6.885 168 2HD ARG 26 1HD ARG 26 -11.305 -1.666 -7.242 169 HE ARG 26 HE ARG 26 -9.172 -0.310 -7.944 170 1HH1 ARG 26 2HH1 ARG 26 -7.287 -2.603 -7.618 171 2HH1 ARG 26 1HH1 ARG 26 -7.231 -3.269 -9.216 172 1HH2 ARG 26 1HH2 ARG 26 -10.111 -1.645 -10.281 173 2HH2 ARG 26 2HH2 ARG 26 -8.832 -2.726 -10.726 174 H LYS 27 H LYS 27 -9.602 -3.441 -2.381 175 HA LYS 27 HA LYS 27 -12.132 -2.408 -1.481 176 1HB LYS 27 2HB LYS 27 -11.544 -4.797 -1.874 177 2HB LYS 27 1HB LYS 27 -10.462 -4.743 -0.483 178 1HG LYS 27 2HG LYS 27 -12.380 -5.583 0.519 179 2HG LYS 27 1HG LYS 27 -12.631 -3.854 0.758 180 1HD LYS 27 2HD LYS 27 -13.646 -4.395 -1.809 181 2HD LYS 27 1HD LYS 27 -14.205 -5.728 -0.799 182 1HE LYS 27 2HE LYS 27 -14.433 -2.917 0.252 183 2HE LYS 27 1HE LYS 27 -15.635 -3.515 -0.907 184 1HZ LYS 27 1HZ LYS 27 -15.939 -5.478 0.492 185 2HZ LYS 27 2HZ LYS 27 -16.303 -4.056 1.348 186 3HZ LYS 27 3HZ LYS 27 -14.833 -4.862 1.622 187 H HIS 28 H HIS 28 -9.000 -2.881 0.191 188 HA HIS 28 HA HIS 28 -10.052 -1.625 2.662 189 1HB HIS 28 2HB HIS 28 -7.377 -2.812 1.856 190 2HB HIS 28 1HB HIS 28 -7.746 -2.213 3.473 191 HD1 HIS 28 HD1 HIS 28 -10.564 -3.307 3.892 192 HD2 HIS 28 HD2 HIS 28 -7.489 -5.561 2.204 193 HE1 HIS 28 HE1 HIS 28 -11.195 -5.738 4.218 194 H ARG 29 H ARG 29 -8.189 -0.753 -0.168 195 HA ARG 29 HA ARG 29 -7.136 1.255 -0.805 196 1HB ARG 29 2HB ARG 29 -9.305 2.008 1.141 197 2HB ARG 29 1HB ARG 29 -8.243 3.262 0.501 198 1HG ARG 29 2HG ARG 29 -8.840 1.960 -1.796 199 2HG ARG 29 1HG ARG 29 -10.318 1.652 -0.884 200 1HD ARG 29 2HD ARG 29 -10.873 3.710 -1.808 201 2HD ARG 29 1HD ARG 29 -10.051 4.279 -0.341 202 HE ARG 29 HE ARG 29 -7.965 4.465 -1.717 203 1HH1 ARG 29 1HH2 ARG 29 -8.934 2.855 -4.071 204 2HH1 ARG 29 2HH2 ARG 29 -9.311 4.094 -5.220 205 1HH2 ARG 29 2HH1 ARG 29 -9.351 6.641 -2.855 206 2HH2 ARG 29 1HH1 ARG 29 -9.549 6.245 -4.529 207 H TRP 30 H TRP 30 -5.577 -0.220 0.956 208 HA TRP 30 HA TRP 30 -4.130 1.934 2.382 209 1HB TRP 30 2HB TRP 30 -4.236 0.823 4.511 210 2HB TRP 30 1HB TRP 30 -5.881 0.905 3.899 211 HD1 TRP 30 HD1 TRP 30 -4.758 -1.701 1.831 212 HE1 TRP 30 HE1 TRP 30 -5.066 -4.040 2.863 213 HE3 TRP 30 HE3 TRP 30 -5.424 -0.416 6.723 214 HZ2 TRP 30 HZ2 TRP 30 -5.535 -5.213 5.426 215 HZ3 TRP 30 HZ3 TRP 30 -5.801 -2.163 8.439 216 HH2 TRP 30 HH2 TRP 30 -5.857 -4.558 7.798 217 H CYS 31 H CYS 31 -2.185 0.524 3.645 218 HA CYS 31 HA CYS 31 -0.744 -0.732 1.381 219 1HB CYS 31 2HB CYS 31 -0.044 0.332 4.117 220 2HB CYS 31 1HB CYS 31 1.125 -0.596 3.178 221 H LYS 32 H LYS 32 -1.003 -2.901 1.146 222 HA LYS 32 HA LYS 32 -1.248 -4.611 3.600 223 1HB LYS 32 2HB LYS 32 -3.144 -4.484 1.914 224 2HB LYS 32 1HB LYS 32 -2.053 -5.214 0.736 225 1HG LYS 32 2HG LYS 32 -1.763 -7.173 2.201 226 2HG LYS 32 1HG LYS 32 -2.832 -6.443 3.399 227 1HD LYS 32 2HD LYS 32 -4.436 -7.656 2.317 228 2HD LYS 32 1HD LYS 32 -4.414 -6.296 1.195 229 1HE LYS 32 2HE LYS 32 -4.123 -8.099 -0.276 230 2HE LYS 32 1HE LYS 32 -2.435 -7.677 0.069 231 1HZ LYS 32 1HZ LYS 32 -4.031 -9.655 1.615 232 2HZ LYS 32 2HZ LYS 32 -2.385 -9.290 1.833 233 3HZ LYS 32 3HZ LYS 32 -2.907 -10.061 0.413 234 H TYR 33 H TYR 33 0.058 -6.553 3.643 235 HA TYR 33 HA TYR 33 2.674 -6.323 2.452 236 1HB TYR 33 2HB TYR 33 1.461 -7.708 4.519 237 2HB TYR 33 1HB TYR 33 1.823 -8.990 3.362 238 HD1 TYR 33 HD1 TYR 33 3.217 -6.514 5.663 239 HD2 TYR 33 HD2 TYR 33 4.160 -9.371 2.597 240 HE1 TYR 33 HE1 TYR 33 5.604 -6.441 6.329 241 HE2 TYR 33 HE2 TYR 33 6.547 -9.298 3.264 242 HH TYR 33 HH TYR 33 7.988 -7.137 4.689 243 H GLU 34 H GLU 34 3.516 -7.316 0.608 244 HA GLU 34 HA GLU 34 1.689 -8.175 -1.464 245 1HB GLU 34 2HB GLU 34 4.145 -7.108 -1.427 246 2HB GLU 34 1HB GLU 34 4.616 -8.803 -1.542 247 1HG GLU 34 2HG GLU 34 2.511 -7.678 -3.380 248 2HG GLU 34 1HG GLU 34 4.221 -7.471 -3.749 249 H ILE 35 H ILE 35 0.600 -10.089 -1.136 250 HA ILE 35 HA ILE 35 2.189 -12.577 -0.965 251 HB ILE 35 HB ILE 35 1.841 -11.821 1.376 252 1HG1 ILE 35 1HG1 ILE 35 -0.032 -14.038 1.459 253 2HG1 ILE 35 2HG1 ILE 35 1.240 -14.344 0.277 254 1HG2 ILE 35 1HG2 ILE 35 -0.458 -10.735 0.633 255 2HG2 ILE 35 2HG2 ILE 35 -1.105 -12.308 1.097 256 3HG2 ILE 35 3HG2 ILE 35 -0.239 -11.327 2.280 257 1HD1 ILE 35 1HD1 ILE 35 2.870 -13.549 2.133 258 2HD1 ILE 35 2HD1 ILE 35 1.515 -13.808 3.232 259 3HD1 ILE 35 3HD1 ILE 35 2.158 -15.155 2.293 260 1HN NH2 36 1HN NH2 36 -0.789 -12.077 -3.238 261 2HN NH2 36 2HN NH2 36 0.566 -11.068 -2.686 Start of MODEL 14 1 1H GLU 1 1H GLU 1 12.339 7.500 -0.097 2 2H GLU 1 2H GLU 1 11.456 6.914 -1.426 3 3H GLU 1 3H GLU 1 11.649 5.953 -0.039 4 HA GLU 1 HA GLU 1 10.350 7.564 1.265 5 1HB GLU 1 2HB GLU 1 11.153 9.255 -0.688 6 2HB GLU 1 1HB GLU 1 9.532 8.885 -1.277 7 1HG GLU 1 2HG GLU 1 8.602 9.497 0.941 8 2HG GLU 1 1HG GLU 1 10.225 9.917 1.490 9 H CYS 2 H CYS 2 8.688 6.160 1.681 10 HA CYS 2 HA CYS 2 6.768 5.513 -0.503 11 1HB CYS 2 2HB CYS 2 6.916 3.098 0.161 12 2HB CYS 2 1HB CYS 2 8.419 3.716 -0.519 13 H LEU 3 H LEU 3 4.785 4.384 0.462 14 HA LEU 3 HA LEU 3 3.984 5.786 2.934 15 1HB LEU 3 2HB LEU 3 2.581 3.981 0.937 16 2HB LEU 3 1HB LEU 3 1.767 4.732 2.309 17 HG LEU 3 HG LEU 3 3.347 6.379 0.332 18 1HD1 LEU 3 1HD1 LEU 3 1.539 4.985 -0.800 19 2HD1 LEU 3 2HD1 LEU 3 1.370 6.732 -0.974 20 3HD1 LEU 3 3HD1 LEU 3 0.369 5.860 0.187 21 1HD2 LEU 3 1HD2 LEU 3 2.424 7.112 2.707 22 2HD2 LEU 3 2HD2 LEU 3 0.897 7.242 1.835 23 3HD2 LEU 3 3HD2 LEU 3 2.288 8.198 1.325 24 H GLY 4 H GLY 4 3.779 4.800 4.926 25 1HA GLY 4 2HA GLY 4 4.886 2.159 5.341 26 2HA GLY 4 1HA GLY 4 4.122 3.159 6.575 27 H PHE 5 H PHE 5 3.483 0.618 6.857 28 HA PHE 5 HA PHE 5 1.308 -0.393 5.253 29 1HB PHE 5 2HB PHE 5 2.637 -1.894 6.561 30 2HB PHE 5 1HB PHE 5 2.392 -0.945 8.026 31 HD1 PHE 5 HD1 PHE 5 0.962 -1.917 9.574 32 HD2 PHE 5 HD2 PHE 5 0.198 -2.493 5.385 33 HE1 PHE 5 HE1 PHE 5 -1.046 -3.264 10.124 34 HE2 PHE 5 HE2 PHE 5 -1.810 -3.839 5.939 35 HZ PHE 5 HZ PHE 5 -2.431 -4.224 8.307 36 H GLY 6 H GLY 6 -0.879 -0.002 5.415 37 1HA GLY 6 2HA GLY 6 -2.928 0.742 6.310 38 2HA GLY 6 1HA GLY 6 -2.108 1.040 7.841 39 H LYS 7 H LYS 7 -1.333 2.379 4.625 40 HA LYS 7 HA LYS 7 -1.956 5.108 5.717 41 1HB LYS 7 2HB LYS 7 0.525 4.029 5.166 42 2HB LYS 7 1HB LYS 7 0.154 4.888 3.671 43 1HG LYS 7 2HG LYS 7 -0.403 6.302 6.239 44 2HG LYS 7 1HG LYS 7 1.285 6.124 5.761 45 1HD LYS 7 2HD LYS 7 1.081 7.685 4.148 46 2HD LYS 7 1HD LYS 7 -0.378 6.927 3.510 47 1HE LYS 7 2HE LYS 7 -1.797 8.209 4.855 48 2HE LYS 7 1HE LYS 7 -0.541 8.497 6.076 49 1HZ LYS 7 1HZ LYS 7 -0.891 10.453 4.667 50 2HZ LYS 7 2HZ LYS 7 -0.494 9.540 3.290 51 3HZ LYS 7 3HZ LYS 7 0.677 9.832 4.487 52 H GLY 8 H GLY 8 -3.154 6.416 4.355 53 1HA GLY 8 2HA GLY 8 -4.655 5.377 2.211 54 2HA GLY 8 1HA GLY 8 -4.386 7.097 2.479 55 H CYS 9 H CYS 9 -4.057 4.788 0.194 56 HA CYS 9 HA CYS 9 -1.933 6.326 -1.224 57 1HB CYS 9 2HB CYS 9 -0.617 4.379 -1.607 58 2HB CYS 9 1HB CYS 9 -1.052 4.294 0.099 59 H ASN 10 H ASN 10 -1.750 5.199 -3.567 60 HA ASN 10 HA ASN 10 -4.559 4.930 -4.578 61 1HB ASN 10 2HB ASN 10 -2.146 6.360 -5.363 62 2HB ASN 10 1HB ASN 10 -2.762 5.380 -6.694 63 1HD2 ASN 10 1HD2 ASN 10 -4.302 6.448 -7.938 64 2HD2 ASN 10 2HD2 ASN 10 -5.342 7.665 -7.373 65 HA PRO 11 HA PRO 11 -3.570 0.737 -5.621 66 1HB PRO 11 2HB PRO 11 -5.595 0.279 -7.405 67 2HB PRO 11 1HB PRO 11 -5.844 0.335 -5.648 68 1HG PRO 11 2HG PRO 11 -6.391 2.415 -7.704 69 2HG PRO 11 1HG PRO 11 -7.320 1.980 -6.261 70 1HD PRO 11 2HD PRO 11 -5.680 4.158 -6.404 71 2HD PRO 11 1HD PRO 11 -6.059 3.306 -4.890 72 H SER 12 H SER 12 -4.089 3.178 -8.151 73 HA SER 12 HA SER 12 -2.832 1.594 -10.269 74 1HB SER 12 2HB SER 12 -3.071 3.771 -11.495 75 2HB SER 12 1HB SER 12 -4.571 3.235 -10.744 76 HG SER 12 HG SER 12 -2.937 5.396 -10.159 77 H ASN 13 H ASN 13 -1.827 4.224 -8.081 78 HA ASN 13 HA ASN 13 0.833 4.460 -9.307 79 1HB ASN 13 2HB ASN 13 -0.613 5.630 -6.927 80 2HB ASN 13 1HB ASN 13 1.096 5.959 -7.204 81 1HD2 ASN 13 1HD2 ASN 13 1.618 7.549 -8.764 82 2HD2 ASN 13 2HD2 ASN 13 0.476 8.299 -9.770 83 H ASP 14 H ASP 14 -0.525 3.153 -6.284 84 HA ASP 14 HA ASP 14 0.372 1.689 -4.677 85 1HB ASP 14 2HB ASP 14 0.906 0.766 -7.318 86 2HB ASP 14 1HB ASP 14 2.336 0.409 -6.349 87 H GLN 15 H GLN 15 1.400 3.730 -3.750 88 HA GLN 15 HA GLN 15 4.355 3.869 -4.152 89 1HB GLN 15 2HB GLN 15 2.612 5.826 -4.246 90 2HB GLN 15 1HB GLN 15 2.675 5.736 -2.486 91 1HG GLN 15 2HG GLN 15 4.701 6.733 -2.415 92 2HG GLN 15 1HG GLN 15 5.342 5.672 -3.669 93 1HE2 GLN 15 1HE2 GLN 15 5.834 6.711 -5.608 94 2HE2 GLN 15 2HE2 GLN 15 5.154 8.178 -6.123 95 H CYS 16 H CYS 16 2.865 1.752 -2.480 96 HA CYS 16 HA CYS 16 3.455 2.353 0.313 97 1HB CYS 16 2HB CYS 16 2.780 -0.159 -1.247 98 2HB CYS 16 1HB CYS 16 2.938 -0.126 0.509 99 H CYS 17 H CYS 17 5.080 1.091 1.586 100 HA CYS 17 HA CYS 17 7.701 1.130 0.349 101 1HB CYS 17 2HB CYS 17 6.689 0.001 2.980 102 2HB CYS 17 1HB CYS 17 8.385 0.263 2.584 103 H LYS 18 H LYS 18 8.426 -0.437 -1.014 104 HA LYS 18 HA LYS 18 7.196 -3.044 -1.286 105 1HB LYS 18 2HB LYS 18 9.651 -1.636 -2.327 106 2HB LYS 18 1HB LYS 18 9.372 -3.336 -2.705 107 1HG LYS 18 2HG LYS 18 6.981 -2.529 -3.393 108 2HG LYS 18 1HG LYS 18 7.734 -0.937 -3.487 109 1HD LYS 18 2HD LYS 18 9.345 -1.714 -5.106 110 2HD LYS 18 1HD LYS 18 8.824 -3.386 -4.896 111 1HE LYS 18 2HE LYS 18 6.739 -1.391 -5.695 112 2HE LYS 18 1HE LYS 18 7.903 -1.915 -6.927 113 1HZ LYS 18 1HZ LYS 18 6.327 -3.730 -5.174 114 2HZ LYS 18 2HZ LYS 18 7.430 -4.212 -6.374 115 3HZ LYS 18 3HZ LYS 18 5.992 -3.419 -6.808 116 H SER 19 H SER 19 10.013 -1.836 0.489 117 HA SER 19 HA SER 19 11.366 -4.273 1.041 118 1HB SER 19 2HB SER 19 11.025 -1.636 2.467 119 2HB SER 19 1HB SER 19 12.044 -2.906 3.140 120 HG SER 19 HG SER 19 12.401 -1.302 0.911 121 H SER 20 H SER 20 8.569 -2.780 2.676 122 HA SER 20 HA SER 20 8.494 -4.981 4.671 123 1HB SER 20 2HB SER 20 8.194 -2.474 5.139 124 2HB SER 20 1HB SER 20 6.627 -2.620 4.347 125 HG SER 20 HG SER 20 7.498 -3.562 6.803 126 H ASN 21 H ASN 21 7.735 -5.173 1.639 127 HA ASN 21 HA ASN 21 6.073 -6.226 0.339 128 1HB ASN 21 2HB ASN 21 6.353 -7.518 2.946 129 2HB ASN 21 1HB ASN 21 4.752 -7.784 2.257 130 1HD2 ASN 21 1HD2 ASN 21 8.073 -8.735 2.062 131 2HD2 ASN 21 2HD2 ASN 21 7.935 -9.708 0.677 132 H LEU 22 H LEU 22 5.141 -3.801 0.566 133 HA LEU 22 HA LEU 22 2.396 -3.995 1.767 134 1HB LEU 22 2HB LEU 22 4.306 -1.678 1.358 135 2HB LEU 22 1HB LEU 22 2.627 -1.464 1.851 136 HG LEU 22 HG LEU 22 4.649 -3.160 3.349 137 1HD1 LEU 22 1HD1 LEU 22 5.105 -0.674 3.358 138 2HD1 LEU 22 2HD1 LEU 22 4.774 -1.356 4.950 139 3HD1 LEU 22 3HD1 LEU 22 3.522 -0.449 4.101 140 1HD2 LEU 22 1HD2 LEU 22 1.859 -2.202 4.074 141 2HD2 LEU 22 2HD2 LEU 22 2.920 -3.153 5.113 142 3HD2 LEU 22 3HD2 LEU 22 2.286 -3.852 3.624 143 H VAL 23 H VAL 23 0.719 -3.834 0.360 144 HA VAL 23 HA VAL 23 1.218 -2.687 -2.370 145 HB VAL 23 HB VAL 23 -0.456 -4.445 -3.121 146 1HG1 VAL 23 1HG1 VAL 23 2.009 -5.584 -1.778 147 2HG1 VAL 23 2HG1 VAL 23 2.044 -4.698 -3.302 148 3HG1 VAL 23 3HG1 VAL 23 1.172 -6.227 -3.191 149 1HG2 VAL 23 1HG2 VAL 23 0.116 -5.733 -0.441 150 2HG2 VAL 23 2HG2 VAL 23 -1.046 -6.244 -1.664 151 3HG2 VAL 23 3HG2 VAL 23 -1.337 -4.776 -0.733 152 H CYS 24 H CYS 24 -0.482 -1.371 -3.178 153 HA CYS 24 HA CYS 24 -2.234 -0.151 -1.218 154 1HB CYS 24 2HB CYS 24 -1.718 0.037 -4.167 155 2HB CYS 24 1HB CYS 24 -3.151 0.825 -3.507 156 H SER 25 H SER 25 -4.333 -0.675 -0.721 157 HA SER 25 HA SER 25 -5.547 -3.058 -1.984 158 1HB SER 25 2HB SER 25 -5.358 -2.497 0.524 159 2HB SER 25 1HB SER 25 -6.637 -1.320 0.242 160 HG SER 25 HG SER 25 -6.753 -4.041 0.417 161 H ARG 26 H ARG 26 -8.007 -2.903 -2.373 162 HA ARG 26 HA ARG 26 -8.575 -0.458 -3.996 163 1HB ARG 26 2HB ARG 26 -9.635 -3.297 -3.928 164 2HB ARG 26 1HB ARG 26 -10.379 -2.035 -4.911 165 1HG ARG 26 2HG ARG 26 -7.533 -1.984 -5.327 166 2HG ARG 26 1HG ARG 26 -8.116 -3.631 -5.558 167 1HD ARG 26 2HD ARG 26 -8.461 -2.735 -7.695 168 2HD ARG 26 1HD ARG 26 -10.033 -2.398 -6.944 169 HE ARG 26 HE ARG 26 -7.819 -0.380 -6.905 170 1HH1 ARG 26 2HH1 ARG 26 -9.557 -0.149 -9.283 171 2HH1 ARG 26 1HH1 ARG 26 -10.809 0.922 -8.748 172 1HH2 ARG 26 1HH2 ARG 26 -10.098 0.494 -5.375 173 2HH2 ARG 26 2HH2 ARG 26 -11.115 1.287 -6.530 174 H LYS 27 H LYS 27 -10.166 -2.663 -1.650 175 HA LYS 27 HA LYS 27 -12.482 -0.958 -1.254 176 1HB LYS 27 2HB LYS 27 -12.211 -3.478 -0.880 177 2HB LYS 27 1HB LYS 27 -11.353 -3.071 0.605 178 1HG LYS 27 2HG LYS 27 -13.810 -1.556 0.442 179 2HG LYS 27 1HG LYS 27 -14.150 -3.276 0.252 180 1HD LYS 27 2HD LYS 27 -12.295 -2.342 2.429 181 2HD LYS 27 1HD LYS 27 -14.041 -2.269 2.665 182 1HE LYS 27 2HE LYS 27 -14.167 -4.713 2.059 183 2HE LYS 27 1HE LYS 27 -12.392 -4.744 2.039 184 1HZ LYS 27 1HZ LYS 27 -14.093 -3.883 4.324 185 2HZ LYS 27 2HZ LYS 27 -12.394 -3.863 4.299 186 3HZ LYS 27 3HZ LYS 27 -13.229 -5.340 4.228 187 H HIS 28 H HIS 28 -9.422 -1.459 0.527 188 HA HIS 28 HA HIS 28 -10.154 0.612 2.515 189 1HB HIS 28 2HB HIS 28 -7.940 -1.391 2.110 190 2HB HIS 28 1HB HIS 28 -7.765 -0.101 3.301 191 HD1 HIS 28 HD1 HIS 28 -9.531 -0.048 5.267 192 HD2 HIS 28 HD2 HIS 28 -9.718 -3.441 2.852 193 HE1 HIS 28 HE1 HIS 28 -10.947 -1.736 6.514 194 H ARG 29 H ARG 29 -8.302 0.341 -0.441 195 HA ARG 29 HA ARG 29 -6.950 1.889 -1.600 196 1HB ARG 29 2HB ARG 29 -9.238 3.039 -1.073 197 2HB ARG 29 1HB ARG 29 -8.308 3.990 0.084 198 1HG ARG 29 2HG ARG 29 -6.840 3.903 -2.370 199 2HG ARG 29 1HG ARG 29 -8.503 4.359 -2.743 200 1HD ARG 29 2HD ARG 29 -8.368 6.104 -0.927 201 2HD ARG 29 1HD ARG 29 -6.644 5.718 -0.760 202 HE ARG 29 HE ARG 29 -7.100 6.121 -3.515 203 1HH1 ARG 29 2HH1 ARG 29 -8.977 8.242 -2.491 204 2HH1 ARG 29 1HH1 ARG 29 -7.929 9.615 -2.365 205 1HH2 ARG 29 1HH2 ARG 29 -5.012 7.732 -2.523 206 2HH2 ARG 29 2HH2 ARG 29 -5.678 9.325 -2.383 207 H TRP 30 H TRP 30 -5.601 0.744 0.561 208 HA TRP 30 HA TRP 30 -3.761 2.944 1.299 209 1HB TRP 30 2HB TRP 30 -3.969 2.555 3.662 210 2HB TRP 30 1HB TRP 30 -5.599 2.740 3.031 211 HD1 TRP 30 HD1 TRP 30 -5.130 -0.503 1.844 212 HE1 TRP 30 HE1 TRP 30 -5.758 -2.340 3.533 213 HE3 TRP 30 HE3 TRP 30 -5.124 2.229 6.158 214 HZ2 TRP 30 HZ2 TRP 30 -6.204 -2.618 6.342 215 HZ3 TRP 30 HZ3 TRP 30 -5.657 1.152 8.325 216 HH2 TRP 30 HH2 TRP 30 -6.196 -1.266 8.423 217 H CYS 31 H CYS 31 -1.894 1.830 2.745 218 HA CYS 31 HA CYS 31 -0.744 -0.249 1.060 219 1HB CYS 31 2HB CYS 31 0.052 1.103 3.654 220 2HB CYS 31 1HB CYS 31 1.074 -0.085 2.846 221 H LYS 32 H LYS 32 -0.987 -2.417 1.332 222 HA LYS 32 HA LYS 32 -1.956 -3.442 3.984 223 1HB LYS 32 2HB LYS 32 -3.571 -3.444 2.037 224 2HB LYS 32 1HB LYS 32 -2.471 -4.540 1.201 225 1HG LYS 32 2HG LYS 32 -2.682 -5.864 3.535 226 2HG LYS 32 1HG LYS 32 -4.250 -5.055 3.533 227 1HD LYS 32 2HD LYS 32 -5.035 -6.307 1.804 228 2HD LYS 32 1HD LYS 32 -3.496 -6.251 0.943 229 1HE LYS 32 2HE LYS 32 -2.831 -7.818 3.097 230 2HE LYS 32 1HE LYS 32 -4.517 -8.296 2.817 231 1HZ LYS 32 1HZ LYS 32 -2.384 -8.143 0.747 232 2HZ LYS 32 2HZ LYS 32 -4.008 -8.552 0.458 233 3HZ LYS 32 3HZ LYS 32 -3.028 -9.570 1.400 234 H TYR 33 H TYR 33 -0.746 -5.123 4.855 235 HA TYR 33 HA TYR 33 1.846 -5.753 3.731 236 1HB TYR 33 2HB TYR 33 0.765 -5.756 6.196 237 2HB TYR 33 1HB TYR 33 0.576 -7.468 5.818 238 HD1 TYR 33 HD1 TYR 33 2.643 -8.742 4.951 239 HD2 TYR 33 HD2 TYR 33 2.859 -4.901 6.862 240 HE1 TYR 33 HE1 TYR 33 5.048 -9.113 5.421 241 HE2 TYR 33 HE2 TYR 33 5.265 -5.272 7.333 242 HH TYR 33 HH TYR 33 6.724 -7.913 7.489 243 H GLU 34 H GLU 34 2.403 -7.425 2.392 244 HA GLU 34 HA GLU 34 0.263 -9.229 1.414 245 1HB GLU 34 2HB GLU 34 2.162 -7.825 0.151 246 2HB GLU 34 1HB GLU 34 3.095 -9.293 0.447 247 1HG GLU 34 2HG GLU 34 0.824 -10.421 -0.453 248 2HG GLU 34 1HG GLU 34 0.718 -8.877 -1.301 249 H ILE 35 H ILE 35 -0.014 -11.053 2.656 250 HA ILE 35 HA ILE 35 2.436 -12.461 3.676 251 HB ILE 35 HB ILE 35 -0.413 -12.294 4.720 252 1HG1 ILE 35 1HG1 ILE 35 1.584 -11.546 6.620 253 2HG1 ILE 35 2HG1 ILE 35 1.937 -10.693 5.119 254 1HG2 ILE 35 1HG2 ILE 35 1.894 -14.071 5.415 255 2HG2 ILE 35 2HG2 ILE 35 0.874 -13.478 6.728 256 3HG2 ILE 35 3HG2 ILE 35 0.166 -14.424 5.418 257 1HD1 ILE 35 1HD1 ILE 35 -0.458 -9.962 5.033 258 2HD1 ILE 35 2HD1 ILE 35 -0.700 -10.704 6.614 259 3HD1 ILE 35 3HD1 ILE 35 0.406 -9.341 6.439 260 1HN NH2 36 1HN NH2 36 1.535 -14.505 0.963 261 2HN NH2 36 2HN NH2 36 2.356 -13.008 1.456 Start of MODEL 15 1 1H GLU 1 1H GLU 1 6.984 9.781 1.697 2 2H GLU 1 2H GLU 1 5.810 9.267 0.582 3 3H GLU 1 3H GLU 1 6.584 10.765 0.374 4 HA GLU 1 HA GLU 1 7.526 9.181 -1.171 5 1HB GLU 1 2HB GLU 1 9.073 10.192 1.209 6 2HB GLU 1 1HB GLU 1 9.910 9.290 -0.055 7 1HG GLU 1 2HG GLU 1 8.740 10.922 -1.701 8 2HG GLU 1 1HG GLU 1 8.455 11.921 -0.276 9 H CYS 2 H CYS 2 6.893 7.016 -1.274 10 HA CYS 2 HA CYS 2 6.960 4.695 -0.876 11 1HB CYS 2 2HB CYS 2 9.530 5.832 -0.429 12 2HB CYS 2 1HB CYS 2 9.283 4.626 0.832 13 H LEU 3 H LEU 3 5.027 4.882 0.503 14 HA LEU 3 HA LEU 3 5.227 5.281 3.373 15 1HB LEU 3 2HB LEU 3 3.088 4.024 1.616 16 2HB LEU 3 1HB LEU 3 2.857 4.512 3.293 17 HG LEU 3 HG LEU 3 3.589 6.352 0.992 18 1HD1 LEU 3 1HD1 LEU 3 1.371 7.197 1.151 19 2HD1 LEU 3 2HD1 LEU 3 1.080 6.364 2.678 20 3HD1 LEU 3 3HD1 LEU 3 1.195 5.442 1.179 21 1HD2 LEU 3 1HD2 LEU 3 3.282 6.788 3.968 22 2HD2 LEU 3 2HD2 LEU 3 3.069 8.107 2.817 23 3HD2 LEU 3 3HD2 LEU 3 4.618 7.272 2.924 24 H GLY 4 H GLY 4 5.209 3.682 5.018 25 1HA GLY 4 2HA GLY 4 6.432 1.132 4.319 26 2HA GLY 4 1HA GLY 4 5.992 1.657 5.943 27 H PHE 5 H PHE 5 5.211 -0.621 6.150 28 HA PHE 5 HA PHE 5 2.855 -1.444 4.611 29 1HB PHE 5 2HB PHE 5 4.390 -3.130 5.339 30 2HB PHE 5 1HB PHE 5 4.399 -2.511 6.990 31 HD1 PHE 5 HD1 PHE 5 3.095 -3.615 8.572 32 HD2 PHE 5 HD2 PHE 5 1.944 -3.781 4.436 33 HE1 PHE 5 HE1 PHE 5 1.215 -5.123 9.155 34 HE2 PHE 5 HE2 PHE 5 0.064 -5.288 5.021 35 HZ PHE 5 HZ PHE 5 -0.301 -5.959 7.379 36 H GLY 6 H GLY 6 0.720 -1.317 5.276 37 1HA GLY 6 2HA GLY 6 -1.142 -0.800 6.604 38 2HA GLY 6 1HA GLY 6 -0.077 -0.770 8.007 39 H LYS 7 H LYS 7 0.510 1.227 5.160 40 HA LYS 7 HA LYS 7 0.138 3.650 6.860 41 1HB LYS 7 2HB LYS 7 2.183 2.826 5.267 42 2HB LYS 7 1HB LYS 7 1.269 3.800 4.115 43 1HG LYS 7 2HG LYS 7 2.621 5.429 5.071 44 2HG LYS 7 1HG LYS 7 1.203 5.531 6.115 45 1HD LYS 7 2HD LYS 7 2.251 4.145 7.792 46 2HD LYS 7 1HD LYS 7 3.607 3.789 6.722 47 1HE LYS 7 2HE LYS 7 3.030 6.672 7.292 48 2HE LYS 7 1HE LYS 7 3.794 5.710 8.573 49 1HZ LYS 7 1HZ LYS 7 5.458 6.639 7.070 50 2HZ LYS 7 2HZ LYS 7 4.718 5.871 5.748 51 3HZ LYS 7 3HZ LYS 7 5.442 4.946 6.977 52 H GLY 8 H GLY 8 -1.484 5.114 6.402 53 1HA GLY 8 2HA GLY 8 -3.674 4.441 4.719 54 2HA GLY 8 1HA GLY 8 -3.377 6.047 5.384 55 H CYS 9 H CYS 9 -3.616 4.333 2.531 56 HA CYS 9 HA CYS 9 -2.352 6.562 1.007 57 1HB CYS 9 2HB CYS 9 -1.001 5.049 -0.266 58 2HB CYS 9 1HB CYS 9 -0.776 4.581 1.419 59 H ASN 10 H ASN 10 -2.942 6.322 -1.400 60 HA ASN 10 HA ASN 10 -5.805 5.519 -1.610 61 1HB ASN 10 2HB ASN 10 -4.274 7.721 -2.414 62 2HB ASN 10 1HB ASN 10 -4.569 6.834 -3.909 63 1HD2 ASN 10 1HD2 ASN 10 -6.566 7.245 -4.886 64 2HD2 ASN 10 2HD2 ASN 10 -7.917 7.896 -4.091 65 HA PRO 11 HA PRO 11 -4.729 1.972 -4.017 66 1HB PRO 11 2HB PRO 11 -7.080 1.630 -5.381 67 2HB PRO 11 1HB PRO 11 -6.883 1.220 -3.665 68 1HG PRO 11 2HG PRO 11 -8.130 3.622 -4.906 69 2HG PRO 11 1HG PRO 11 -8.628 2.699 -3.479 70 1HD PRO 11 2HD PRO 11 -7.309 5.078 -3.340 71 2HD PRO 11 1HD PRO 11 -7.195 3.820 -2.089 72 H SER 12 H SER 12 -6.186 4.779 -5.676 73 HA SER 12 HA SER 12 -5.341 3.985 -8.345 74 1HB SER 12 2HB SER 12 -6.573 6.323 -6.971 75 2HB SER 12 1HB SER 12 -5.769 6.651 -8.504 76 HG SER 12 HG SER 12 -7.349 5.684 -9.485 77 H ASN 13 H ASN 13 -4.092 6.349 -5.951 78 HA ASN 13 HA ASN 13 -1.794 7.102 -7.567 79 1HB ASN 13 2HB ASN 13 -3.082 7.795 -5.066 80 2HB ASN 13 1HB ASN 13 -1.339 7.662 -4.831 81 1HD2 ASN 13 1HD2 ASN 13 -0.053 9.378 -5.605 82 2HD2 ASN 13 2HD2 ASN 13 -0.643 10.653 -6.558 83 H ASP 14 H ASP 14 -2.310 4.889 -4.830 84 HA ASP 14 HA ASP 14 -0.983 3.158 -3.952 85 1HB ASP 14 2HB ASP 14 -1.190 2.733 -6.536 86 2HB ASP 14 1HB ASP 14 0.517 3.179 -6.561 87 H GLN 15 H GLN 15 0.007 4.812 -2.502 88 HA GLN 15 HA GLN 15 2.713 5.768 -3.289 89 1HB GLN 15 2HB GLN 15 0.644 6.394 -1.215 90 2HB GLN 15 1HB GLN 15 2.322 6.804 -0.861 91 1HG GLN 15 2HG GLN 15 2.201 7.781 -3.354 92 2HG GLN 15 1HG GLN 15 0.494 7.929 -2.932 93 1HE2 GLN 15 1HE2 GLN 15 3.719 9.171 -2.247 94 2HE2 GLN 15 2HE2 GLN 15 3.221 10.403 -1.191 95 H CYS 16 H CYS 16 1.869 2.852 -2.396 96 HA CYS 16 HA CYS 16 3.287 2.416 0.112 97 1HB CYS 16 2HB CYS 16 2.294 0.607 -2.113 98 2HB CYS 16 1HB CYS 16 2.973 0.008 -0.601 99 H CYS 17 H CYS 17 5.373 1.465 0.360 100 HA CYS 17 HA CYS 17 7.302 2.108 -1.747 101 1HB CYS 17 2HB CYS 17 7.430 2.208 0.887 102 2HB CYS 17 1HB CYS 17 7.902 0.516 0.732 103 H LYS 18 H LYS 18 8.421 0.640 -3.041 104 HA LYS 18 HA LYS 18 7.231 -2.018 -3.417 105 1HB LYS 18 2HB LYS 18 8.679 -0.070 -4.901 106 2HB LYS 18 1HB LYS 18 9.643 -1.547 -4.919 107 1HG LYS 18 2HG LYS 18 6.838 -2.167 -5.304 108 2HG LYS 18 1HG LYS 18 7.379 -0.987 -6.497 109 1HD LYS 18 2HD LYS 18 9.005 -3.456 -5.894 110 2HD LYS 18 1HD LYS 18 7.692 -3.489 -7.071 111 1HE LYS 18 2HE LYS 18 9.713 -1.281 -7.291 112 2HE LYS 18 1HE LYS 18 10.168 -2.902 -7.850 113 1HZ LYS 18 1HZ LYS 18 7.694 -1.443 -8.629 114 2HZ LYS 18 2HZ LYS 18 8.143 -2.993 -9.162 115 3HZ LYS 18 3HZ LYS 18 9.064 -1.637 -9.609 116 H SER 19 H SER 19 9.808 -0.773 -1.500 117 HA SER 19 HA SER 19 11.740 -2.864 -1.609 118 1HB SER 19 2HB SER 19 11.823 -0.565 -0.491 119 2HB SER 19 1HB SER 19 10.907 -1.278 0.835 120 HG SER 19 HG SER 19 13.108 -1.437 1.267 121 H SER 20 H SER 20 8.790 -2.531 0.392 122 HA SER 20 HA SER 20 9.219 -5.293 1.451 123 1HB SER 20 2HB SER 20 8.824 -3.252 2.922 124 2HB SER 20 1HB SER 20 7.192 -3.192 2.264 125 HG SER 20 HG SER 20 6.672 -4.842 3.466 126 H ASN 21 H ASN 21 8.035 -4.381 -1.321 127 HA ASN 21 HA ASN 21 6.262 -5.024 -2.741 128 1HB ASN 21 2HB ASN 21 6.517 -7.292 -0.745 129 2HB ASN 21 1HB ASN 21 5.514 -7.404 -2.191 130 1HD2 ASN 21 1HD2 ASN 21 6.685 -7.079 -4.332 131 2HD2 ASN 21 2HD2 ASN 21 8.322 -7.515 -4.434 132 H LEU 22 H LEU 22 5.163 -3.096 -1.399 133 HA LEU 22 HA LEU 22 2.738 -4.147 0.020 134 1HB LEU 22 2HB LEU 22 4.167 -1.468 0.076 135 2HB LEU 22 1HB LEU 22 2.694 -1.826 0.975 136 HG LEU 22 HG LEU 22 5.258 -3.416 1.260 137 1HD1 LEU 22 1HD1 LEU 22 5.717 -1.184 2.043 138 2HD1 LEU 22 2HD1 LEU 22 5.423 -2.186 3.464 139 3HD1 LEU 22 3HD1 LEU 22 4.165 -1.100 2.876 140 1HD2 LEU 22 1HD2 LEU 22 2.588 -3.361 2.670 141 2HD2 LEU 22 2HD2 LEU 22 4.028 -3.988 3.472 142 3HD2 LEU 22 3HD2 LEU 22 3.443 -4.747 1.992 143 H VAL 23 H VAL 23 0.704 -3.534 -0.721 144 HA VAL 23 HA VAL 23 0.589 -1.767 -3.145 145 HB VAL 23 HB VAL 23 -1.231 -3.312 -3.930 146 1HG1 VAL 23 1HG1 VAL 23 1.225 -3.558 -4.555 147 2HG1 VAL 23 2HG1 VAL 23 0.251 -5.018 -4.725 148 3HG1 VAL 23 3HG1 VAL 23 1.321 -4.828 -3.336 149 1HG2 VAL 23 1HG2 VAL 23 -1.610 -5.421 -2.823 150 2HG2 VAL 23 2HG2 VAL 23 -1.762 -4.164 -1.596 151 3HG2 VAL 23 3HG2 VAL 23 -0.290 -5.130 -1.692 152 H CYS 24 H CYS 24 -1.160 -0.303 -3.177 153 HA CYS 24 HA CYS 24 -2.397 0.320 -0.616 154 1HB CYS 24 2HB CYS 24 -2.437 1.378 -3.427 155 2HB CYS 24 1HB CYS 24 -3.634 1.964 -2.273 156 H SER 25 H SER 25 -4.059 -0.932 0.132 157 HA SER 25 HA SER 25 -5.825 -2.458 -1.624 158 1HB SER 25 2HB SER 25 -5.660 -1.871 1.339 159 2HB SER 25 1HB SER 25 -6.949 -2.860 0.661 160 HG SER 25 HG SER 25 -5.352 -4.267 1.162 161 H ARG 26 H ARG 26 -8.173 -2.143 -1.717 162 HA ARG 26 HA ARG 26 -8.935 0.730 -1.728 163 1HB ARG 26 2HB ARG 26 -9.304 -1.262 -3.505 164 2HB ARG 26 1HB ARG 26 -10.783 -1.460 -2.564 165 1HG ARG 26 2HG ARG 26 -10.558 1.306 -2.935 166 2HG ARG 26 1HG ARG 26 -10.092 0.613 -4.489 167 1HD ARG 26 2HD ARG 26 -12.580 -0.307 -3.023 168 2HD ARG 26 1HD ARG 26 -12.605 1.046 -4.170 169 HE ARG 26 HE ARG 26 -11.219 -1.160 -5.363 170 1HH1 ARG 26 1HH2 ARG 26 -13.698 -2.422 -4.062 171 2HH1 ARG 26 2HH2 ARG 26 -14.823 -2.358 -5.378 172 1HH2 ARG 26 2HH1 ARG 26 -12.949 -0.083 -7.219 173 2HH2 ARG 26 1HH1 ARG 26 -14.397 -1.032 -7.169 174 H LYS 27 H LYS 27 -10.035 -2.376 -0.332 175 HA LYS 27 HA LYS 27 -12.213 -1.222 1.199 176 1HB LYS 27 2HB LYS 27 -12.294 -3.462 2.188 177 2HB LYS 27 1HB LYS 27 -12.013 -3.602 0.454 178 1HG LYS 27 2HG LYS 27 -9.445 -3.467 1.365 179 2HG LYS 27 1HG LYS 27 -10.229 -4.282 2.718 180 1HD LYS 27 2HD LYS 27 -9.918 -6.165 1.486 181 2HD LYS 27 1HD LYS 27 -11.325 -5.605 0.582 182 1HE LYS 27 2HE LYS 27 -8.782 -4.372 -0.286 183 2HE LYS 27 1HE LYS 27 -8.880 -6.121 -0.561 184 1HZ LYS 27 1HZ LYS 27 -11.059 -5.806 -1.569 185 2HZ LYS 27 2HZ LYS 27 -9.884 -4.902 -2.397 186 3HZ LYS 27 3HZ LYS 27 -10.954 -4.130 -1.327 187 H HIS 28 H HIS 28 -8.767 -1.680 1.786 188 HA HIS 28 HA HIS 28 -9.093 -0.862 4.643 189 1HB HIS 28 2HB HIS 28 -6.802 -2.065 3.055 190 2HB HIS 28 1HB HIS 28 -6.716 -1.664 4.768 191 HD1 HIS 28 HD1 HIS 28 -9.467 -2.670 5.710 192 HD2 HIS 28 HD2 HIS 28 -6.988 -4.836 3.150 193 HE1 HIS 28 HE1 HIS 28 -10.160 -5.096 5.924 194 H ARG 29 H ARG 29 -8.038 0.317 1.540 195 HA ARG 29 HA ARG 29 -6.991 2.320 0.873 196 1HB ARG 29 2HB ARG 29 -8.400 2.989 3.468 197 2HB ARG 29 1HB ARG 29 -7.604 4.228 2.499 198 1HG ARG 29 2HG ARG 29 -9.577 2.330 1.242 199 2HG ARG 29 1HG ARG 29 -10.131 3.778 2.082 200 1HD ARG 29 2HD ARG 29 -9.360 5.180 0.438 201 2HD ARG 29 1HD ARG 29 -7.910 4.198 0.148 202 HE ARG 29 HE ARG 29 -9.190 2.786 -1.316 203 1HH1 ARG 29 2HH1 ARG 29 -10.339 5.598 -1.925 204 2HH1 ARG 29 1HH1 ARG 29 -12.031 5.235 -1.990 205 1HH2 ARG 29 1HH2 ARG 29 -11.696 2.136 -0.456 206 2HH2 ARG 29 2HH2 ARG 29 -12.801 3.270 -1.157 207 H TRP 30 H TRP 30 -5.220 0.493 2.127 208 HA TRP 30 HA TRP 30 -3.216 2.379 3.223 209 1HB TRP 30 2HB TRP 30 -2.990 1.231 5.290 210 2HB TRP 30 1HB TRP 30 -4.726 1.356 5.050 211 HD1 TRP 30 HD1 TRP 30 -4.534 -1.148 2.772 212 HE1 TRP 30 HE1 TRP 30 -4.501 -3.535 3.735 213 HE3 TRP 30 HE3 TRP 30 -3.149 -0.138 7.584 214 HZ2 TRP 30 HZ2 TRP 30 -3.965 -4.846 6.218 215 HZ3 TRP 30 HZ3 TRP 30 -2.887 -1.975 9.225 216 HH2 TRP 30 HH2 TRP 30 -3.293 -4.325 8.549 217 H CYS 31 H CYS 31 -1.115 0.872 3.749 218 HA CYS 31 HA CYS 31 -0.535 -0.500 1.200 219 1HB CYS 31 2HB CYS 31 1.040 0.305 3.655 220 2HB CYS 31 1HB CYS 31 1.761 -0.658 2.369 221 H LYS 32 H LYS 32 -0.790 -2.671 0.973 222 HA LYS 32 HA LYS 32 -0.718 -4.391 3.434 223 1HB LYS 32 2HB LYS 32 -2.937 -3.893 2.148 224 2HB LYS 32 1HB LYS 32 -2.289 -4.991 0.929 225 1HG LYS 32 2HG LYS 32 -1.850 -6.535 3.049 226 2HG LYS 32 1HG LYS 32 -3.158 -5.570 3.734 227 1HD LYS 32 2HD LYS 32 -4.346 -6.086 1.439 228 2HD LYS 32 1HD LYS 32 -3.216 -7.439 1.387 229 1HE LYS 32 2HE LYS 32 -4.209 -8.513 3.177 230 2HE LYS 32 1HE LYS 32 -4.706 -6.993 3.946 231 1HZ LYS 32 1HZ LYS 32 -6.325 -6.658 2.193 232 2HZ LYS 32 2HZ LYS 32 -6.600 -8.154 2.950 233 3HZ LYS 32 3HZ LYS 32 -5.846 -8.095 1.429 234 H TYR 33 H TYR 33 0.477 -6.318 3.251 235 HA TYR 33 HA TYR 33 2.513 -6.457 1.191 236 1HB TYR 33 2HB TYR 33 2.796 -7.208 3.536 237 2HB TYR 33 1HB TYR 33 1.589 -8.467 3.275 238 HD1 TYR 33 HD1 TYR 33 2.295 -10.584 2.592 239 HD2 TYR 33 HD2 TYR 33 4.790 -7.180 1.797 240 HE1 TYR 33 HE1 TYR 33 4.052 -12.084 1.691 241 HE2 TYR 33 HE2 TYR 33 6.548 -8.678 0.895 242 HH TYR 33 HH TYR 33 6.968 -11.569 1.457 243 H GLU 34 H GLU 34 2.252 -7.319 -0.818 244 HA GLU 34 HA GLU 34 -0.173 -8.782 -1.560 245 1HB GLU 34 2HB GLU 34 1.646 -7.134 -2.802 246 2HB GLU 34 1HB GLU 34 2.139 -8.717 -3.402 247 1HG GLU 34 2HG GLU 34 -0.777 -7.999 -3.400 248 2HG GLU 34 1HG GLU 34 0.265 -7.357 -4.668 249 H ILE 35 H ILE 35 -0.369 -10.994 -1.777 250 HA ILE 35 HA ILE 35 1.640 -12.752 -0.655 251 HB ILE 35 HB ILE 35 0.013 -14.505 -1.389 252 1HG1 ILE 35 1HG1 ILE 35 -1.748 -12.290 -2.423 253 2HG1 ILE 35 2HG1 ILE 35 -0.596 -13.076 -3.500 254 1HG2 ILE 35 1HG2 ILE 35 -0.256 -12.979 0.687 255 2HG2 ILE 35 2HG2 ILE 35 -1.526 -12.181 -0.241 256 3HG2 ILE 35 3HG2 ILE 35 -1.665 -13.895 0.150 257 1HD1 ILE 35 1HD1 ILE 35 -1.654 -15.288 -2.494 258 2HD1 ILE 35 2HD1 ILE 35 -3.016 -14.220 -2.155 259 3HD1 ILE 35 3HD1 ILE 35 -2.454 -14.432 -3.813 260 1HN NH2 36 1HN NH2 36 2.094 -11.076 -3.302 261 2HN NH2 36 2HN NH2 36 3.562 -12.089 -3.297 Start of MODEL 16 1 1H GLU 1 1H GLU 1 6.408 8.618 -3.034 2 2H GLU 1 2H GLU 1 5.853 9.984 -2.192 3 3H GLU 1 3H GLU 1 4.976 8.530 -2.130 4 HA GLU 1 HA GLU 1 7.726 8.897 -1.042 5 1HB GLU 1 2HB GLU 1 6.661 9.146 1.086 6 2HB GLU 1 1HB GLU 1 5.768 10.198 -0.010 7 1HG GLU 1 2HG GLU 1 4.152 8.253 -0.360 8 2HG GLU 1 1HG GLU 1 4.957 7.461 0.995 9 H CYS 2 H CYS 2 8.159 7.050 0.540 10 HA CYS 2 HA CYS 2 7.066 4.485 -0.565 11 1HB CYS 2 2HB CYS 2 9.703 5.524 0.085 12 2HB CYS 2 1HB CYS 2 9.394 4.021 0.953 13 H LEU 3 H LEU 3 5.360 3.984 0.813 14 HA LEU 3 HA LEU 3 5.672 4.356 3.745 15 1HB LEU 3 2HB LEU 3 3.400 3.553 1.904 16 2HB LEU 3 1HB LEU 3 3.236 3.621 3.658 17 HG LEU 3 HG LEU 3 4.111 5.953 1.923 18 1HD1 LEU 3 1HD1 LEU 3 1.493 5.812 3.383 19 2HD1 LEU 3 2HD1 LEU 3 1.644 5.025 1.812 20 3HD1 LEU 3 3HD1 LEU 3 1.929 6.759 1.961 21 1HD2 LEU 3 1HD2 LEU 3 4.888 6.660 3.944 22 2HD2 LEU 3 2HD2 LEU 3 3.958 5.452 4.831 23 3HD2 LEU 3 3HD2 LEU 3 3.188 6.951 4.311 24 H GLY 4 H GLY 4 5.411 2.570 5.219 25 1HA GLY 4 2HA GLY 4 6.518 0.047 4.235 26 2HA GLY 4 1HA GLY 4 6.111 0.415 5.911 27 H PHE 5 H PHE 5 5.198 -1.848 5.791 28 HA PHE 5 HA PHE 5 2.754 -2.264 4.222 29 1HB PHE 5 2HB PHE 5 4.225 -4.121 4.623 30 2HB PHE 5 1HB PHE 5 4.264 -3.799 6.354 31 HD1 PHE 5 HD1 PHE 5 1.621 -4.286 3.717 32 HD2 PHE 5 HD2 PHE 5 3.033 -5.274 7.654 33 HE1 PHE 5 HE1 PHE 5 -0.335 -5.772 4.046 34 HE2 PHE 5 HE2 PHE 5 1.074 -6.760 7.980 35 HZ PHE 5 HZ PHE 5 -0.609 -7.008 6.177 36 H GLY 6 H GLY 6 0.644 -2.172 5.001 37 1HA GLY 6 2HA GLY 6 -1.136 -1.753 6.468 38 2HA GLY 6 1HA GLY 6 -0.023 -2.004 7.811 39 H LYS 7 H LYS 7 0.155 0.396 5.179 40 HA LYS 7 HA LYS 7 0.098 2.551 7.269 41 1HB LYS 7 2HB LYS 7 2.254 2.061 6.014 42 2HB LYS 7 1HB LYS 7 1.428 2.574 4.542 43 1HG LYS 7 2HG LYS 7 2.251 4.627 5.118 44 2HG LYS 7 1HG LYS 7 0.835 4.667 6.167 45 1HD LYS 7 2HD LYS 7 2.344 3.501 7.918 46 2HD LYS 7 1HD LYS 7 3.688 4.007 6.894 47 1HE LYS 7 2HE LYS 7 2.939 6.364 7.068 48 2HE LYS 7 1HE LYS 7 1.604 5.852 8.120 49 1HZ LYS 7 1HZ LYS 7 3.532 6.522 9.430 50 2HZ LYS 7 2HZ LYS 7 4.495 5.372 8.634 51 3HZ LYS 7 3HZ LYS 7 3.215 4.868 9.632 52 H GLY 8 H GLY 8 -1.467 4.120 7.005 53 1HA GLY 8 2HA GLY 8 -3.619 3.824 5.180 54 2HA GLY 8 1HA GLY 8 -3.264 5.304 6.071 55 H CYS 9 H CYS 9 -3.582 4.103 3.009 56 HA CYS 9 HA CYS 9 -2.093 6.406 1.852 57 1HB CYS 9 2HB CYS 9 -0.858 4.973 0.355 58 2HB CYS 9 1HB CYS 9 -0.653 4.310 1.975 59 H ASN 10 H ASN 10 -2.519 6.258 -0.707 60 HA ASN 10 HA ASN 10 -5.471 5.974 -1.029 61 1HB ASN 10 2HB ASN 10 -4.117 8.110 -1.476 62 2HB ASN 10 1HB ASN 10 -3.450 7.271 -2.876 63 1HD2 ASN 10 1HD2 ASN 10 -4.514 8.490 -4.527 64 2HD2 ASN 10 2HD2 ASN 10 -6.200 8.517 -4.715 65 HA PRO 11 HA PRO 11 -4.611 2.284 -3.396 66 1HB PRO 11 2HB PRO 11 -7.168 1.863 -4.282 67 2HB PRO 11 1HB PRO 11 -6.627 1.461 -2.641 68 1HG PRO 11 2HG PRO 11 -8.164 3.823 -3.601 69 2HG PRO 11 1HG PRO 11 -8.356 2.879 -2.115 70 1HD PRO 11 2HD PRO 11 -7.112 5.295 -2.191 71 2HD PRO 11 1HD PRO 11 -6.706 4.028 -1.012 72 H SER 12 H SER 12 -5.965 5.260 -4.651 73 HA SER 12 HA SER 12 -5.890 4.396 -7.465 74 1HB SER 12 2HB SER 12 -7.380 6.167 -6.155 75 2HB SER 12 1HB SER 12 -6.050 7.250 -6.554 76 HG SER 12 HG SER 12 -7.933 6.032 -8.182 77 H ASN 13 H ASN 13 -3.942 6.480 -5.308 78 HA ASN 13 HA ASN 13 -1.969 6.983 -7.467 79 1HB ASN 13 2HB ASN 13 -2.922 8.656 -5.733 80 2HB ASN 13 1HB ASN 13 -1.840 7.870 -4.583 81 1HD2 ASN 13 1HD2 ASN 13 -1.953 9.950 -7.438 82 2HD2 ASN 13 2HD2 ASN 13 -0.304 10.350 -7.432 83 H ASP 14 H ASP 14 -2.308 5.120 -4.492 84 HA ASP 14 HA ASP 14 -0.973 3.434 -3.550 85 1HB ASP 14 2HB ASP 14 -1.010 2.953 -6.142 86 2HB ASP 14 1HB ASP 14 0.683 3.442 -6.057 87 H GLN 15 H GLN 15 0.012 4.756 -1.949 88 HA GLN 15 HA GLN 15 2.584 6.103 -2.639 89 1HB GLN 15 2HB GLN 15 0.667 6.183 -0.293 90 2HB GLN 15 1HB GLN 15 2.219 7.019 -0.280 91 1HG GLN 15 2HG GLN 15 1.579 8.528 -1.934 92 2HG GLN 15 1HG GLN 15 0.360 7.442 -2.601 93 1HE2 GLN 15 1HE2 GLN 15 1.041 9.390 0.360 94 2HE2 GLN 15 2HE2 GLN 15 -0.592 9.693 0.711 95 H CYS 16 H CYS 16 1.983 3.039 -2.069 96 HA CYS 16 HA CYS 16 3.614 2.512 0.327 97 1HB CYS 16 2HB CYS 16 2.425 0.732 -1.828 98 2HB CYS 16 1HB CYS 16 3.134 0.159 -0.320 99 H CYS 17 H CYS 17 5.626 1.274 0.211 100 HA CYS 17 HA CYS 17 7.340 2.101 -2.029 101 1HB CYS 17 2HB CYS 17 7.753 1.878 0.588 102 2HB CYS 17 1HB CYS 17 8.170 0.220 0.156 103 H LYS 18 H LYS 18 7.954 0.800 -3.721 104 HA LYS 18 HA LYS 18 6.675 -1.802 -4.104 105 1HB LYS 18 2HB LYS 18 8.524 0.031 -5.604 106 2HB LYS 18 1HB LYS 18 8.316 -1.625 -6.175 107 1HG LYS 18 2HG LYS 18 5.995 -1.331 -6.539 108 2HG LYS 18 1HG LYS 18 5.940 0.130 -5.553 109 1HD LYS 18 2HD LYS 18 7.859 0.467 -7.684 110 2HD LYS 18 1HD LYS 18 6.304 -0.026 -8.353 111 1HE LYS 18 2HE LYS 18 6.002 2.290 -8.228 112 2HE LYS 18 1HE LYS 18 5.379 1.804 -6.641 113 1HZ LYS 18 1HZ LYS 18 8.200 2.562 -7.209 114 2HZ LYS 18 2HZ LYS 18 7.561 2.142 -5.691 115 3HZ LYS 18 3HZ LYS 18 7.057 3.568 -6.462 116 H SER 19 H SER 19 9.698 -0.734 -2.750 117 HA SER 19 HA SER 19 11.420 -2.921 -3.340 118 1HB SER 19 2HB SER 19 11.912 -0.677 -2.240 119 2HB SER 19 1HB SER 19 11.259 -1.353 -0.750 120 HG SER 19 HG SER 19 13.696 -1.612 -1.726 121 H SER 20 H SER 20 8.982 -2.531 -0.751 122 HA SER 20 HA SER 20 9.549 -5.301 0.206 123 1HB SER 20 2HB SER 20 9.356 -3.141 1.651 124 2HB SER 20 1HB SER 20 7.621 -3.305 1.394 125 HG SER 20 HG SER 20 9.320 -4.748 2.981 126 H ASN 21 H ASN 21 7.994 -4.501 -2.345 127 HA ASN 21 HA ASN 21 6.035 -5.163 -3.476 128 1HB ASN 21 2HB ASN 21 6.357 -7.304 -1.349 129 2HB ASN 21 1HB ASN 21 5.281 -7.453 -2.738 130 1HD2 ASN 21 1HD2 ASN 21 6.369 -7.303 -4.947 131 2HD2 ASN 21 2HD2 ASN 21 7.972 -7.840 -5.093 132 H LEU 22 H LEU 22 5.217 -3.084 -2.135 133 HA LEU 22 HA LEU 22 2.860 -3.943 -0.481 134 1HB LEU 22 2HB LEU 22 4.577 -1.441 -0.430 135 2HB LEU 22 1HB LEU 22 3.124 -1.660 0.545 136 HG LEU 22 HG LEU 22 5.475 -3.567 0.619 137 1HD1 LEU 22 1HD1 LEU 22 5.874 -2.415 2.878 138 2HD1 LEU 22 2HD1 LEU 22 4.834 -1.123 2.277 139 3HD1 LEU 22 3HD1 LEU 22 6.339 -1.505 1.440 140 1HD2 LEU 22 1HD2 LEU 22 3.305 -4.484 1.366 141 2HD2 LEU 22 2HD2 LEU 22 3.108 -3.124 2.471 142 3HD2 LEU 22 3HD2 LEU 22 4.404 -4.289 2.732 143 H VAL 23 H VAL 23 0.886 -3.410 -1.300 144 HA VAL 23 HA VAL 23 0.727 -1.271 -3.401 145 HB VAL 23 HB VAL 23 -1.057 -2.786 -4.421 146 1HG1 VAL 23 1HG1 VAL 23 0.710 -3.122 -5.782 147 2HG1 VAL 23 2HG1 VAL 23 1.035 -4.584 -4.852 148 3HG1 VAL 23 3HG1 VAL 23 1.846 -3.075 -4.435 149 1HG2 VAL 23 1HG2 VAL 23 -1.347 -4.151 -2.304 150 2HG2 VAL 23 2HG2 VAL 23 0.220 -4.887 -2.642 151 3HG2 VAL 23 3HG2 VAL 23 -1.121 -5.110 -3.765 152 H CYS 24 H CYS 24 -0.968 0.175 -3.105 153 HA CYS 24 HA CYS 24 -2.354 0.235 -0.573 154 1HB CYS 24 2HB CYS 24 -2.465 1.767 -3.166 155 2HB CYS 24 1HB CYS 24 -3.604 2.118 -1.867 156 H SER 25 H SER 25 -4.055 -1.070 -0.067 157 HA SER 25 HA SER 25 -5.674 -2.383 -2.141 158 1HB SER 25 2HB SER 25 -4.869 -3.386 0.048 159 2HB SER 25 1HB SER 25 -6.001 -2.323 0.878 160 HG SER 25 HG SER 25 -6.444 -4.641 -0.479 161 H ARG 26 H ARG 26 -8.066 -2.189 -2.158 162 HA ARG 26 HA ARG 26 -8.941 0.620 -1.762 163 1HB ARG 26 2HB ARG 26 -9.277 -0.774 -3.868 164 2HB ARG 26 1HB ARG 26 -10.431 -1.740 -2.948 165 1HG ARG 26 2HG ARG 26 -11.977 -0.016 -2.805 166 2HG ARG 26 1HG ARG 26 -10.746 1.239 -2.940 167 1HD ARG 26 2HD ARG 26 -11.674 1.369 -5.072 168 2HD ARG 26 1HD ARG 26 -10.437 0.132 -5.372 169 HE ARG 26 HE ARG 26 -12.167 -1.584 -5.135 170 1HH1 ARG 26 2HH1 ARG 26 -13.315 0.372 -7.158 171 2HH1 ARG 26 1HH1 ARG 26 -14.932 0.566 -6.568 172 1HH2 ARG 26 1HH2 ARG 26 -14.233 -0.775 -3.438 173 2HH2 ARG 26 2HH2 ARG 26 -15.453 -0.086 -4.456 174 H LYS 27 H LYS 27 -9.631 -2.639 -0.524 175 HA LYS 27 HA LYS 27 -12.025 -1.996 0.943 176 1HB LYS 27 2HB LYS 27 -11.021 -4.259 0.241 177 2HB LYS 27 1HB LYS 27 -9.957 -4.095 1.637 178 1HG LYS 27 2HG LYS 27 -12.694 -3.519 2.391 179 2HG LYS 27 1HG LYS 27 -12.594 -5.100 1.618 180 1HD LYS 27 2HD LYS 27 -10.372 -5.094 3.265 181 2HD LYS 27 1HD LYS 27 -11.570 -4.232 4.229 182 1HE LYS 27 2HE LYS 27 -13.163 -6.080 3.973 183 2HE LYS 27 1HE LYS 27 -12.022 -6.941 2.923 184 1HZ LYS 27 1HZ LYS 27 -11.807 -7.693 5.212 185 2HZ LYS 27 2HZ LYS 27 -11.511 -6.104 5.732 186 3HZ LYS 27 3HZ LYS 27 -10.395 -6.892 4.721 187 H HIS 28 H HIS 28 -8.579 -2.138 1.924 188 HA HIS 28 HA HIS 28 -9.311 -0.894 4.541 189 1HB HIS 28 2HB HIS 28 -6.995 -2.501 3.466 190 2HB HIS 28 1HB HIS 28 -6.834 -1.588 4.966 191 HD1 HIS 28 HD1 HIS 28 -9.430 -2.025 6.380 192 HD2 HIS 28 HD2 HIS 28 -7.570 -5.088 4.246 193 HE1 HIS 28 HE1 HIS 28 -10.339 -4.200 7.308 194 H ARG 29 H ARG 29 -8.035 -0.040 1.475 195 HA ARG 29 HA ARG 29 -6.921 1.883 0.684 196 1HB ARG 29 2HB ARG 29 -8.508 2.677 3.102 197 2HB ARG 29 1HB ARG 29 -7.458 3.880 2.355 198 1HG ARG 29 2HG ARG 29 -8.629 2.942 0.131 199 2HG ARG 29 1HG ARG 29 -9.918 2.581 1.280 200 1HD ARG 29 2HD ARG 29 -9.544 5.040 2.103 201 2HD ARG 29 1HD ARG 29 -8.769 5.261 0.521 202 HE ARG 29 HE ARG 29 -11.594 4.356 0.909 203 1HH1 ARG 29 2HH1 ARG 29 -10.466 3.410 -1.663 204 2HH1 ARG 29 1HH1 ARG 29 -10.816 4.720 -2.741 205 1HH2 ARG 29 1HH2 ARG 29 -11.432 7.001 -0.192 206 2HH2 ARG 29 2HH2 ARG 29 -11.366 6.758 -1.906 207 H TRP 30 H TRP 30 -5.164 0.142 1.950 208 HA TRP 30 HA TRP 30 -3.173 2.038 3.054 209 1HB TRP 30 2HB TRP 30 -2.910 0.857 5.109 210 2HB TRP 30 1HB TRP 30 -4.645 1.045 4.900 211 HD1 TRP 30 HD1 TRP 30 -4.506 -1.465 2.590 212 HE1 TRP 30 HE1 TRP 30 -4.572 -3.849 3.555 213 HE3 TRP 30 HE3 TRP 30 -3.181 -0.494 7.422 214 HZ2 TRP 30 HZ2 TRP 30 -4.131 -5.174 6.048 215 HZ3 TRP 30 HZ3 TRP 30 -3.015 -2.335 9.071 216 HH2 TRP 30 HH2 TRP 30 -3.487 -4.672 8.392 217 H CYS 31 H CYS 31 -1.037 0.641 3.516 218 HA CYS 31 HA CYS 31 -0.311 -0.595 0.998 219 1HB CYS 31 2HB CYS 31 1.017 -0.321 3.706 220 2HB CYS 31 1HB CYS 31 1.824 -1.058 2.324 221 H LYS 32 H LYS 32 -0.685 -2.674 0.425 222 HA LYS 32 HA LYS 32 -1.110 -4.720 2.580 223 1HB LYS 32 2HB LYS 32 -3.046 -4.066 1.090 224 2HB LYS 32 1HB LYS 32 -2.121 -4.675 -0.283 225 1HG LYS 32 2HG LYS 32 -3.379 -6.555 0.267 226 2HG LYS 32 1HG LYS 32 -1.915 -6.847 1.206 227 1HD LYS 32 2HD LYS 32 -3.024 -5.728 3.165 228 2HD LYS 32 1HD LYS 32 -4.508 -5.646 2.216 229 1HE LYS 32 2HE LYS 32 -3.145 -8.308 2.452 230 2HE LYS 32 1HE LYS 32 -4.077 -7.709 3.838 231 1HZ LYS 32 1HZ LYS 32 -5.486 -8.928 2.269 232 2HZ LYS 32 2HZ LYS 32 -5.064 -7.841 1.034 233 3HZ LYS 32 3HZ LYS 32 -5.950 -7.301 2.380 234 H TYR 33 H TYR 33 0.035 -6.687 2.364 235 HA TYR 33 HA TYR 33 2.475 -6.614 0.774 236 1HB TYR 33 2HB TYR 33 1.335 -8.045 2.995 237 2HB TYR 33 1HB TYR 33 1.941 -9.212 1.819 238 HD1 TYR 33 HD1 TYR 33 2.843 -7.191 4.552 239 HD2 TYR 33 HD2 TYR 33 4.305 -8.554 0.749 240 HE1 TYR 33 HE1 TYR 33 5.166 -6.705 5.270 241 HE2 TYR 33 HE2 TYR 33 6.628 -8.069 1.466 242 HH TYR 33 HH TYR 33 7.564 -6.200 3.511 243 H GLU 34 H GLU 34 2.795 -7.495 -1.231 244 HA GLU 34 HA GLU 34 0.514 -8.628 -2.689 245 1HB GLU 34 2HB GLU 34 2.670 -7.089 -3.325 246 2HB GLU 34 1HB GLU 34 3.251 -8.675 -3.835 247 1HG GLU 34 2HG GLU 34 0.472 -8.171 -4.629 248 2HG GLU 34 1HG GLU 34 1.606 -7.014 -5.327 249 H ILE 35 H ILE 35 0.520 -10.744 -3.667 250 HA ILE 35 HA ILE 35 1.745 -12.823 -1.997 251 HB ILE 35 HB ILE 35 0.001 -12.867 -4.485 252 1HG1 ILE 35 1HG1 ILE 35 -1.316 -13.833 -2.151 253 2HG1 ILE 35 2HG1 ILE 35 -0.533 -12.315 -1.710 254 1HG2 ILE 35 1HG2 ILE 35 0.959 -15.062 -2.641 255 2HG2 ILE 35 2HG2 ILE 35 -0.482 -15.238 -3.641 256 3HG2 ILE 35 3HG2 ILE 35 1.090 -14.983 -4.397 257 1HD1 ILE 35 1HD1 ILE 35 -1.558 -11.248 -3.724 258 2HD1 ILE 35 2HD1 ILE 35 -2.416 -12.755 -4.047 259 3HD1 ILE 35 3HD1 ILE 35 -2.763 -11.840 -2.580 260 1HN NH2 36 1HN NH2 36 4.673 -12.332 -3.931 261 2HN NH2 36 2HN NH2 36 3.676 -11.645 -2.631 Start of MODEL 17 1 1H GLU 1 1H GLU 1 9.307 8.779 -3.963 2 2H GLU 1 2H GLU 1 10.597 7.704 -3.710 3 3H GLU 1 3H GLU 1 10.788 9.357 -3.367 4 HA GLU 1 HA GLU 1 10.467 7.953 -1.348 5 1HB GLU 1 2HB GLU 1 9.017 9.628 -0.372 6 2HB GLU 1 1HB GLU 1 9.972 10.420 -1.622 7 1HG GLU 1 2HG GLU 1 7.988 11.170 -2.423 8 2HG GLU 1 1HG GLU 1 7.765 9.532 -3.033 9 H CYS 2 H CYS 2 8.704 6.976 0.010 10 HA CYS 2 HA CYS 2 6.314 6.003 -1.449 11 1HB CYS 2 2HB CYS 2 6.935 3.652 -1.053 12 2HB CYS 2 1HB CYS 2 8.166 4.457 -2.020 13 H LEU 3 H LEU 3 4.924 4.639 0.080 14 HA LEU 3 HA LEU 3 4.995 5.851 2.808 15 1HB LEU 3 2HB LEU 3 2.870 4.423 1.176 16 2HB LEU 3 1HB LEU 3 2.610 5.035 2.810 17 HG LEU 3 HG LEU 3 3.527 6.763 0.493 18 1HD1 LEU 3 1HD1 LEU 3 0.760 6.422 1.690 19 2HD1 LEU 3 2HD1 LEU 3 1.260 5.885 0.086 20 3HD1 LEU 3 3HD1 LEU 3 1.205 7.607 0.462 21 1HD2 LEU 3 1HD2 LEU 3 2.596 7.317 3.325 22 2HD2 LEU 3 2HD2 LEU 3 2.695 8.570 2.088 23 3HD2 LEU 3 3HD2 LEU 3 4.154 7.725 2.606 24 H GLY 4 H GLY 4 4.823 4.500 4.680 25 1HA GLY 4 2HA GLY 4 6.081 1.884 4.431 26 2HA GLY 4 1HA GLY 4 5.527 2.627 5.931 27 H PHE 5 H PHE 5 4.821 0.272 6.243 28 HA PHE 5 HA PHE 5 2.515 -0.693 4.735 29 1HB PHE 5 2HB PHE 5 3.971 -2.320 5.658 30 2HB PHE 5 1HB PHE 5 4.032 -1.505 7.219 31 HD1 PHE 5 HD1 PHE 5 1.670 -3.273 4.904 32 HD2 PHE 5 HD2 PHE 5 2.575 -2.141 8.951 33 HE1 PHE 5 HE1 PHE 5 -0.216 -4.663 5.717 34 HE2 PHE 5 HE2 PHE 5 0.689 -3.533 9.760 35 HZ PHE 5 HZ PHE 5 -0.705 -4.793 8.142 36 H GLY 6 H GLY 6 0.347 -0.647 5.375 37 1HA GLY 6 2HA GLY 6 -1.576 0.084 6.485 38 2HA GLY 6 1HA GLY 6 -0.609 0.114 7.958 39 H LYS 7 H LYS 7 -0.312 1.980 4.932 40 HA LYS 7 HA LYS 7 -0.442 4.492 6.564 41 1HB LYS 7 2HB LYS 7 1.272 3.461 4.375 42 2HB LYS 7 1HB LYS 7 0.795 5.151 4.215 43 1HG LYS 7 2HG LYS 7 1.504 4.737 6.938 44 2HG LYS 7 1HG LYS 7 2.777 4.018 5.953 45 1HD LYS 7 2HD LYS 7 3.266 6.048 4.876 46 2HD LYS 7 1HD LYS 7 1.708 6.757 5.302 47 1HE LYS 7 2HE LYS 7 2.355 7.022 7.604 48 2HE LYS 7 1HE LYS 7 3.808 6.029 7.371 49 1HZ LYS 7 1HZ LYS 7 4.327 8.402 7.247 50 2HZ LYS 7 2HZ LYS 7 3.227 8.587 5.965 51 3HZ LYS 7 3HZ LYS 7 4.620 7.633 5.764 52 H GLY 8 H GLY 8 -1.894 6.080 5.882 53 1HA GLY 8 2HA GLY 8 -4.087 5.340 4.188 54 2HA GLY 8 1HA GLY 8 -3.762 6.971 4.778 55 H CYS 9 H CYS 9 -3.572 4.866 2.065 56 HA CYS 9 HA CYS 9 -2.348 7.076 0.456 57 1HB CYS 9 2HB CYS 9 -0.958 5.426 -0.669 58 2HB CYS 9 1HB CYS 9 -0.718 5.263 1.069 59 H ASN 10 H ASN 10 -2.706 6.536 -1.992 60 HA ASN 10 HA ASN 10 -5.575 5.870 -2.337 61 1HB ASN 10 2HB ASN 10 -4.256 7.917 -3.251 62 2HB ASN 10 1HB ASN 10 -3.625 6.789 -4.451 63 1HD2 ASN 10 1HD2 ASN 10 -6.543 8.471 -3.365 64 2HD2 ASN 10 2HD2 ASN 10 -7.501 8.042 -4.700 65 HA PRO 11 HA PRO 11 -4.579 1.830 -3.884 66 1HB PRO 11 2HB PRO 11 -6.980 1.288 -5.088 67 2HB PRO 11 1HB PRO 11 -6.736 1.218 -3.333 68 1HG PRO 11 2HG PRO 11 -7.972 3.362 -4.985 69 2HG PRO 11 1HG PRO 11 -8.447 2.748 -3.394 70 1HD PRO 11 2HD PRO 11 -7.078 5.074 -3.749 71 2HD PRO 11 1HD PRO 11 -6.941 4.073 -2.285 72 H SER 12 H SER 12 -6.156 4.207 -6.043 73 HA SER 12 HA SER 12 -5.385 2.935 -8.521 74 1HB SER 12 2HB SER 12 -6.172 5.764 -7.761 75 2HB SER 12 1HB SER 12 -5.997 5.214 -9.425 76 HG SER 12 HG SER 12 -7.992 4.591 -9.182 77 H ASN 13 H ASN 13 -3.928 5.540 -6.549 78 HA ASN 13 HA ASN 13 -1.724 5.992 -8.409 79 1HB ASN 13 2HB ASN 13 -2.891 7.463 -6.508 80 2HB ASN 13 1HB ASN 13 -1.628 6.742 -5.511 81 1HD2 ASN 13 1HD2 ASN 13 -0.374 8.709 -5.304 82 2HD2 ASN 13 2HD2 ASN 13 0.425 9.412 -6.626 83 H ASP 14 H ASP 14 -2.085 4.349 -5.269 84 HA ASP 14 HA ASP 14 -0.733 2.762 -4.175 85 1HB ASP 14 2HB ASP 14 -1.371 1.909 -6.655 86 2HB ASP 14 1HB ASP 14 0.386 1.914 -6.806 87 H GLN 15 H GLN 15 0.647 4.572 -3.349 88 HA GLN 15 HA GLN 15 3.345 4.667 -4.662 89 1HB GLN 15 2HB GLN 15 1.596 6.616 -3.202 90 2HB GLN 15 1HB GLN 15 3.345 6.829 -3.099 91 1HG GLN 15 2HG GLN 15 3.186 6.457 -5.735 92 2HG GLN 15 1HG GLN 15 1.545 7.047 -5.478 93 1HE2 GLN 15 1HE2 GLN 15 4.987 7.932 -5.058 94 2HE2 GLN 15 2HE2 GLN 15 4.706 9.602 -4.945 95 H CYS 16 H CYS 16 2.831 2.460 -3.019 96 HA CYS 16 HA CYS 16 3.822 3.062 -0.293 97 1HB CYS 16 2HB CYS 16 1.999 1.348 -1.181 98 2HB CYS 16 1HB CYS 16 3.407 0.310 -1.401 99 H CYS 17 H CYS 17 5.608 1.444 0.510 100 HA CYS 17 HA CYS 17 7.960 1.779 -1.216 101 1HB CYS 17 2HB CYS 17 7.561 0.455 1.491 102 2HB CYS 17 1HB CYS 17 9.120 0.857 0.774 103 H LYS 18 H LYS 18 9.057 0.133 -2.292 104 HA LYS 18 HA LYS 18 7.619 -2.423 -2.686 105 1HB LYS 18 2HB LYS 18 9.204 -0.677 -4.215 106 2HB LYS 18 1HB LYS 18 10.190 -2.126 -4.019 107 1HG LYS 18 2HG LYS 18 7.517 -2.974 -4.551 108 2HG LYS 18 1HG LYS 18 7.930 -1.738 -5.739 109 1HD LYS 18 2HD LYS 18 8.764 -3.648 -6.778 110 2HD LYS 18 1HD LYS 18 10.194 -3.084 -5.913 111 1HE LYS 18 2HE LYS 18 10.242 -4.963 -4.643 112 2HE LYS 18 1HE LYS 18 8.531 -4.779 -4.212 113 1HZ LYS 18 1HZ LYS 18 7.914 -5.664 -6.369 114 2HZ LYS 18 2HZ LYS 18 8.899 -6.778 -5.547 115 3HZ LYS 18 3HZ LYS 18 9.546 -5.833 -6.802 116 H SER 19 H SER 19 10.278 -1.230 -0.800 117 HA SER 19 HA SER 19 11.978 -3.503 -0.624 118 1HB SER 19 2HB SER 19 11.840 -0.974 0.429 119 2HB SER 19 1HB SER 19 11.491 -1.954 1.850 120 HG SER 19 HG SER 19 13.496 -2.574 1.865 121 H SER 20 H SER 20 9.030 -2.684 1.234 122 HA SER 20 HA SER 20 9.172 -5.329 2.614 123 1HB SER 20 2HB SER 20 7.735 -2.714 3.049 124 2HB SER 20 1HB SER 20 7.233 -4.169 3.903 125 HG SER 20 HG SER 20 8.787 -2.991 5.085 126 H ASN 21 H ASN 21 8.193 -4.680 -0.301 127 HA ASN 21 HA ASN 21 6.424 -5.330 -1.721 128 1HB ASN 21 2HB ASN 21 7.007 -7.373 0.308 129 2HB ASN 21 1HB ASN 21 5.405 -7.550 -0.405 130 1HD2 ASN 21 1HD2 ASN 21 5.277 -8.328 -2.561 131 2HD2 ASN 21 2HD2 ASN 21 6.637 -8.663 -3.520 132 H LEU 22 H LEU 22 5.399 -3.213 -0.635 133 HA LEU 22 HA LEU 22 2.830 -3.988 0.709 134 1HB LEU 22 2HB LEU 22 4.409 -1.395 0.730 135 2HB LEU 22 1HB LEU 22 2.915 -1.685 1.621 136 HG LEU 22 HG LEU 22 5.432 -3.334 1.971 137 1HD1 LEU 22 1HD1 LEU 22 5.550 -2.085 4.181 138 2HD1 LEU 22 2HD1 LEU 22 4.355 -0.968 3.522 139 3HD1 LEU 22 3HD1 LEU 22 5.935 -1.121 2.755 140 1HD2 LEU 22 1HD2 LEU 22 3.615 -4.641 2.696 141 2HD2 LEU 22 2HD2 LEU 22 2.720 -3.240 3.282 142 3HD2 LEU 22 3HD2 LEU 22 4.120 -3.830 4.177 143 H VAL 23 H VAL 23 0.898 -3.203 -0.174 144 HA VAL 23 HA VAL 23 1.075 -1.470 -2.611 145 HB VAL 23 HB VAL 23 -0.646 -3.060 -3.623 146 1HG1 VAL 23 1HG1 VAL 23 2.003 -4.381 -2.997 147 2HG1 VAL 23 2HG1 VAL 23 1.849 -3.033 -4.124 148 3HG1 VAL 23 3HG1 VAL 23 1.025 -4.556 -4.454 149 1HG2 VAL 23 1HG2 VAL 23 -1.210 -4.122 -1.389 150 2HG2 VAL 23 2HG2 VAL 23 0.351 -4.939 -1.459 151 3HG2 VAL 23 3HG2 VAL 23 -0.874 -5.272 -2.683 152 H CYS 24 H CYS 24 -0.664 -0.039 -2.820 153 HA CYS 24 HA CYS 24 -2.317 0.460 -0.490 154 1HB CYS 24 2HB CYS 24 -2.174 1.533 -3.316 155 2HB CYS 24 1HB CYS 24 -3.346 2.139 -2.146 156 H SER 25 H SER 25 -4.043 -0.832 -0.004 157 HA SER 25 HA SER 25 -5.392 -2.476 -2.006 158 1HB SER 25 2HB SER 25 -6.578 -3.310 -0.094 159 2HB SER 25 1HB SER 25 -4.940 -2.977 0.460 160 HG SER 25 HG SER 25 -6.721 -2.153 1.793 161 H ARG 26 H ARG 26 -7.818 -2.349 -2.267 162 HA ARG 26 HA ARG 26 -8.644 0.479 -2.684 163 1HB ARG 26 2HB ARG 26 -9.820 -2.182 -3.557 164 2HB ARG 26 1HB ARG 26 -10.376 -0.598 -4.099 165 1HG ARG 26 2HG ARG 26 -7.548 -0.685 -4.469 166 2HG ARG 26 1HG ARG 26 -8.219 -2.173 -5.140 167 1HD ARG 26 2HD ARG 26 -9.955 -0.688 -6.319 168 2HD ARG 26 1HD ARG 26 -8.913 0.681 -5.881 169 HE ARG 26 HE ARG 26 -7.535 -1.597 -7.154 170 1HH1 ARG 26 2HH1 ARG 26 -9.494 -0.408 -9.118 171 2HH1 ARG 26 1HH1 ARG 26 -8.530 0.809 -9.885 172 1HH2 ARG 26 1HH2 ARG 26 -6.081 0.793 -7.421 173 2HH2 ARG 26 2HH2 ARG 26 -6.592 1.490 -8.921 174 H LYS 27 H LYS 27 -9.613 -2.428 -0.883 175 HA LYS 27 HA LYS 27 -12.154 -1.410 0.049 176 1HB LYS 27 2HB LYS 27 -10.895 -3.807 -0.014 177 2HB LYS 27 1HB LYS 27 -10.595 -3.364 1.666 178 1HG LYS 27 2HG LYS 27 -13.328 -2.749 1.001 179 2HG LYS 27 1HG LYS 27 -12.984 -4.420 0.557 180 1HD LYS 27 2HD LYS 27 -11.778 -3.839 3.110 181 2HD LYS 27 1HD LYS 27 -13.485 -3.401 3.151 182 1HE LYS 27 2HE LYS 27 -12.738 -6.025 1.902 183 2HE LYS 27 1HE LYS 27 -12.739 -5.900 3.672 184 1HZ LYS 27 1HZ LYS 27 -14.962 -4.972 3.584 185 2HZ LYS 27 2HZ LYS 27 -14.940 -6.489 2.819 186 3HZ LYS 27 3HZ LYS 27 -14.971 -5.067 1.890 187 H HIS 28 H HIS 28 -8.918 -1.602 1.602 188 HA HIS 28 HA HIS 28 -9.894 0.169 3.795 189 1HB HIS 28 2HB HIS 28 -7.357 -1.448 3.404 190 2HB HIS 28 1HB HIS 28 -7.760 -0.548 4.864 191 HD1 HIS 28 HD1 HIS 28 -10.525 -1.237 5.548 192 HD2 HIS 28 HD2 HIS 28 -8.008 -4.086 3.835 193 HE1 HIS 28 HE1 HIS 28 -11.511 -3.499 6.116 194 H ARG 29 H ARG 29 -8.280 0.462 0.813 195 HA ARG 29 HA ARG 29 -6.951 2.158 -0.147 196 1HB ARG 29 2HB ARG 29 -8.742 3.440 1.897 197 2HB ARG 29 1HB ARG 29 -7.574 4.439 1.033 198 1HG ARG 29 2HG ARG 29 -8.829 4.415 -0.838 199 2HG ARG 29 1HG ARG 29 -8.946 2.656 -0.799 200 1HD ARG 29 2HD ARG 29 -11.024 2.704 0.142 201 2HD ARG 29 1HD ARG 29 -10.587 4.018 1.252 202 HE ARG 29 HE ARG 29 -11.108 4.529 -1.654 203 1HH1 ARG 29 1HH2 ARG 29 -10.089 6.689 0.243 204 2HH1 ARG 29 2HH2 ARG 29 -11.561 7.511 0.639 205 1HH2 ARG 29 2HH1 ARG 29 -13.612 4.958 -0.522 206 2HH2 ARG 29 1HH1 ARG 29 -13.560 6.529 0.205 207 H TRP 30 H TRP 30 -5.415 0.638 1.586 208 HA TRP 30 HA TRP 30 -3.511 2.672 2.596 209 1HB TRP 30 2HB TRP 30 -3.576 1.933 4.832 210 2HB TRP 30 1HB TRP 30 -5.270 1.918 4.362 211 HD1 TRP 30 HD1 TRP 30 -4.929 -0.890 2.646 212 HE1 TRP 30 HE1 TRP 30 -4.858 -3.086 3.989 213 HE3 TRP 30 HE3 TRP 30 -3.671 0.936 7.239 214 HZ2 TRP 30 HZ2 TRP 30 -4.341 -3.952 6.660 215 HZ3 TRP 30 HZ3 TRP 30 -3.400 -0.595 9.167 216 HH2 TRP 30 HH2 TRP 30 -3.733 -3.036 8.885 217 H CYS 31 H CYS 31 -1.441 1.479 3.393 218 HA CYS 31 HA CYS 31 -0.555 -0.304 1.275 219 1HB CYS 31 2HB CYS 31 0.574 0.929 3.770 220 2HB CYS 31 1HB CYS 31 1.479 -0.346 2.958 221 H LYS 32 H LYS 32 -0.752 -2.490 1.261 222 HA LYS 32 HA LYS 32 -1.188 -3.925 3.862 223 1HB LYS 32 2HB LYS 32 -3.048 -3.666 2.043 224 2HB LYS 32 1HB LYS 32 -2.109 -4.857 1.142 225 1HG LYS 32 2HG LYS 32 -2.531 -5.568 3.966 226 2HG LYS 32 1HG LYS 32 -4.019 -5.464 3.025 227 1HD LYS 32 2HD LYS 32 -3.040 -6.971 1.322 228 2HD LYS 32 1HD LYS 32 -1.573 -7.101 2.291 229 1HE LYS 32 2HE LYS 32 -4.223 -7.741 3.569 230 2HE LYS 32 1HE LYS 32 -3.434 -8.951 2.539 231 1HZ LYS 32 1HZ LYS 32 -2.691 -9.115 4.856 232 2HZ LYS 32 2HZ LYS 32 -2.129 -7.513 4.794 233 3HZ LYS 32 3HZ LYS 32 -1.413 -8.708 3.820 234 H TYR 33 H TYR 33 0.052 -5.813 4.177 235 HA TYR 33 HA TYR 33 2.387 -6.148 2.389 236 1HB TYR 33 2HB TYR 33 2.665 -6.024 4.827 237 2HB TYR 33 1HB TYR 33 1.573 -7.392 5.037 238 HD1 TYR 33 HD1 TYR 33 2.773 -9.274 5.715 239 HD2 TYR 33 HD2 TYR 33 4.416 -6.726 2.671 240 HE1 TYR 33 HE1 TYR 33 4.673 -10.841 5.429 241 HE2 TYR 33 HE2 TYR 33 6.315 -8.293 2.385 242 HH TYR 33 HH TYR 33 7.395 -10.237 4.292 243 H GLU 34 H GLU 34 2.471 -7.739 0.856 244 HA GLU 34 HA GLU 34 0.255 -9.558 0.419 245 1HB GLU 34 2HB GLU 34 2.735 -8.699 -0.857 246 2HB GLU 34 1HB GLU 34 2.478 -10.433 -1.050 247 1HG GLU 34 2HG GLU 34 0.250 -8.464 -1.555 248 2HG GLU 34 1HG GLU 34 1.420 -8.861 -2.814 249 H ILE 35 H ILE 35 -0.069 -11.404 1.579 250 HA ILE 35 HA ILE 35 2.160 -12.642 3.081 251 HB ILE 35 HB ILE 35 0.271 -13.998 4.022 252 1HG1 ILE 35 1HG1 ILE 35 -1.707 -12.208 2.692 253 2HG1 ILE 35 2HG1 ILE 35 -1.039 -13.515 1.716 254 1HG2 ILE 35 1HG2 ILE 35 0.119 -10.984 3.989 255 2HG2 ILE 35 2HG2 ILE 35 -0.953 -11.954 4.999 256 3HG2 ILE 35 3HG2 ILE 35 0.792 -12.033 5.236 257 1HD1 ILE 35 1HD1 ILE 35 -1.846 -14.302 4.448 258 2HD1 ILE 35 2HD1 ILE 35 -3.173 -13.806 3.397 259 3HD1 ILE 35 3HD1 ILE 35 -2.112 -15.128 2.912 260 1HN NH2 36 1HN NH2 36 3.072 -14.840 0.680 261 2HN NH2 36 2HN NH2 36 3.382 -13.420 1.703 Start of MODEL 18 1 1H GLU 1 1H GLU 1 10.417 6.925 3.475 2 2H GLU 1 2H GLU 1 11.553 8.123 3.079 3 3H GLU 1 3H GLU 1 11.108 6.956 1.927 4 HA GLU 1 HA GLU 1 9.297 9.036 3.057 5 1HB GLU 1 2HB GLU 1 11.032 8.760 0.615 6 2HB GLU 1 1HB GLU 1 9.534 9.682 0.499 7 1HG GLU 1 2HG GLU 1 10.616 11.442 1.392 8 2HG GLU 1 1HG GLU 1 10.757 10.529 2.895 9 H CYS 2 H CYS 2 8.197 6.672 3.380 10 HA CYS 2 HA CYS 2 6.203 6.449 1.221 11 1HB CYS 2 2HB CYS 2 6.715 4.015 0.904 12 2HB CYS 2 1HB CYS 2 8.030 5.067 0.385 13 H LEU 3 H LEU 3 4.530 4.725 1.842 14 HA LEU 3 HA LEU 3 3.922 4.978 4.723 15 1HB LEU 3 2HB LEU 3 2.461 3.867 2.307 16 2HB LEU 3 1HB LEU 3 1.761 3.924 3.925 17 HG LEU 3 HG LEU 3 2.935 6.439 2.797 18 1HD1 LEU 3 1HD1 LEU 3 1.180 6.892 1.364 19 2HD1 LEU 3 2HD1 LEU 3 0.064 5.833 2.225 20 3HD1 LEU 3 3HD1 LEU 3 1.281 5.144 1.151 21 1HD2 LEU 3 1HD2 LEU 3 1.178 7.452 4.160 22 2HD2 LEU 3 2HD2 LEU 3 2.052 6.269 5.133 23 3HD2 LEU 3 3HD2 LEU 3 0.467 5.869 4.471 24 H GLY 4 H GLY 4 4.174 3.321 6.184 25 1HA GLY 4 2HA GLY 4 5.568 0.902 5.418 26 2HA GLY 4 1HA GLY 4 4.939 1.262 7.025 27 H PHE 5 H PHE 5 4.544 -1.235 6.550 28 HA PHE 5 HA PHE 5 2.314 -2.007 4.894 29 1HB PHE 5 2HB PHE 5 4.038 -3.561 5.648 30 2HB PHE 5 1HB PHE 5 3.633 -3.245 7.334 31 HD1 PHE 5 HD1 PHE 5 1.641 -4.192 8.357 32 HD2 PHE 5 HD2 PHE 5 2.517 -4.862 4.206 33 HE1 PHE 5 HE1 PHE 5 -0.072 -5.982 8.284 34 HE2 PHE 5 HE2 PHE 5 0.804 -6.652 4.134 35 HZ PHE 5 HZ PHE 5 -0.490 -7.212 6.172 36 H GLY 6 H GLY 6 0.126 -2.176 5.401 37 1HA GLY 6 2HA GLY 6 -1.879 -1.877 6.575 38 2HA GLY 6 1HA GLY 6 -0.953 -2.083 8.060 39 H LYS 7 H LYS 7 -0.418 0.427 5.599 40 HA LYS 7 HA LYS 7 -1.056 2.481 7.690 41 1HB LYS 7 2HB LYS 7 1.307 2.225 6.842 42 2HB LYS 7 1HB LYS 7 0.724 2.667 5.238 43 1HG LYS 7 2HG LYS 7 1.629 4.647 6.341 44 2HG LYS 7 1HG LYS 7 -0.115 4.821 6.169 45 1HD LYS 7 2HD LYS 7 0.487 5.507 8.413 46 2HD LYS 7 1HD LYS 7 -0.365 3.969 8.525 47 1HE LYS 7 2HE LYS 7 1.522 3.672 9.941 48 2HE LYS 7 1HE LYS 7 2.026 2.904 8.424 49 1HZ LYS 7 1HZ LYS 7 3.131 4.889 7.749 50 2HZ LYS 7 2HZ LYS 7 3.660 4.536 9.324 51 3HZ LYS 7 3HZ LYS 7 2.515 5.764 9.066 52 H GLY 8 H GLY 8 -2.673 3.939 7.219 53 1HA GLY 8 2HA GLY 8 -4.498 3.570 5.091 54 2HA GLY 8 1HA GLY 8 -4.369 5.049 6.040 55 H CYS 9 H CYS 9 -4.095 3.824 2.954 56 HA CYS 9 HA CYS 9 -2.543 6.224 2.064 57 1HB CYS 9 2HB CYS 9 -1.182 4.854 0.663 58 2HB CYS 9 1HB CYS 9 -1.242 4.008 2.208 59 H ASN 10 H ASN 10 -2.791 6.315 -0.505 60 HA ASN 10 HA ASN 10 -5.713 6.051 -1.080 61 1HB ASN 10 2HB ASN 10 -3.813 8.100 -1.329 62 2HB ASN 10 1HB ASN 10 -4.083 7.548 -2.981 63 1HD2 ASN 10 1HD2 ASN 10 -5.525 9.093 -3.832 64 2HD2 ASN 10 2HD2 ASN 10 -6.995 9.528 -3.103 65 HA PRO 11 HA PRO 11 -4.728 2.769 -3.913 66 1HB PRO 11 2HB PRO 11 -7.084 2.759 -5.315 67 2HB PRO 11 1HB PRO 11 -6.920 2.068 -3.688 68 1HG PRO 11 2HG PRO 11 -8.018 4.711 -4.517 69 2HG PRO 11 1HG PRO 11 -8.606 3.582 -3.286 70 1HD PRO 11 2HD PRO 11 -7.185 5.806 -2.671 71 2HD PRO 11 1HD PRO 11 -7.108 4.317 -1.703 72 H SER 12 H SER 12 -6.185 5.795 -5.148 73 HA SER 12 HA SER 12 -5.208 5.460 -7.868 74 1HB SER 12 2HB SER 12 -6.349 7.711 -6.203 75 2HB SER 12 1HB SER 12 -5.812 7.985 -7.858 76 HG SER 12 HG SER 12 -7.455 6.852 -8.582 77 H ASN 13 H ASN 13 -4.016 7.072 -4.931 78 HA ASN 13 HA ASN 13 -1.511 7.839 -6.390 79 1HB ASN 13 2HB ASN 13 -2.934 8.893 -3.926 80 2HB ASN 13 1HB ASN 13 -1.301 9.395 -4.361 81 1HD2 ASN 13 1HD2 ASN 13 -3.812 11.058 -4.344 82 2HD2 ASN 13 2HD2 ASN 13 -3.969 11.654 -5.925 83 H ASP 14 H ASP 14 -1.130 5.374 -6.018 84 HA ASP 14 HA ASP 14 -0.697 4.189 -3.487 85 1HB ASP 14 2HB ASP 14 -0.618 3.354 -6.003 86 2HB ASP 14 1HB ASP 14 1.112 3.639 -5.820 87 H GLN 15 H GLN 15 0.650 4.916 -1.883 88 HA GLN 15 HA GLN 15 3.348 5.979 -2.664 89 1HB GLN 15 2HB GLN 15 1.215 7.040 -0.819 90 2HB GLN 15 1HB GLN 15 2.907 7.442 -0.523 91 1HG GLN 15 2HG GLN 15 3.132 8.523 -2.628 92 2HG GLN 15 1HG GLN 15 1.632 7.821 -3.236 93 1HE2 GLN 15 1HE2 GLN 15 2.883 10.166 -0.819 94 2HE2 GLN 15 2HE2 GLN 15 1.452 11.075 -0.736 95 H CYS 16 H CYS 16 2.645 3.246 -1.849 96 HA CYS 16 HA CYS 16 3.411 2.945 0.977 97 1HB CYS 16 2HB CYS 16 2.979 0.989 -1.305 98 2HB CYS 16 1HB CYS 16 3.185 0.531 0.385 99 H CYS 17 H CYS 17 5.281 1.391 1.488 100 HA CYS 17 HA CYS 17 7.738 2.379 0.278 101 1HB CYS 17 2HB CYS 17 7.124 0.153 2.249 102 2HB CYS 17 1HB CYS 17 8.747 0.732 1.885 103 H LYS 18 H LYS 18 8.685 1.577 -1.534 104 HA LYS 18 HA LYS 18 7.673 -0.786 -2.902 105 1HB LYS 18 2HB LYS 18 8.990 1.529 -3.570 106 2HB LYS 18 1HB LYS 18 10.294 0.346 -3.674 107 1HG LYS 18 2HG LYS 18 9.290 -0.818 -5.405 108 2HG LYS 18 1HG LYS 18 7.662 -0.349 -4.916 109 1HD LYS 18 2HD LYS 18 9.284 1.964 -5.649 110 2HD LYS 18 1HD LYS 18 9.154 0.806 -6.973 111 1HE LYS 18 2HE LYS 18 6.612 1.302 -5.537 112 2HE LYS 18 1HE LYS 18 7.248 2.695 -6.432 113 1HZ LYS 18 1HZ LYS 18 5.913 1.243 -7.861 114 2HZ LYS 18 2HZ LYS 18 6.953 -0.057 -7.523 115 3HZ LYS 18 3HZ LYS 18 7.530 1.297 -8.373 116 H SER 19 H SER 19 10.362 -0.144 -0.711 117 HA SER 19 HA SER 19 12.033 -2.381 -1.310 118 1HB SER 19 2HB SER 19 12.924 -1.928 0.943 119 2HB SER 19 1HB SER 19 12.620 -0.418 0.089 120 HG SER 19 HG SER 19 11.334 0.068 1.668 121 H SER 20 H SER 20 9.152 -2.109 0.774 122 HA SER 20 HA SER 20 9.410 -4.976 1.557 123 1HB SER 20 2HB SER 20 7.766 -2.606 2.463 124 2HB SER 20 1HB SER 20 7.422 -4.238 3.030 125 HG SER 20 HG SER 20 8.857 -3.206 4.436 126 H ASN 21 H ASN 21 8.419 -3.783 -1.188 127 HA ASN 21 HA ASN 21 6.721 -4.241 -2.758 128 1HB ASN 21 2HB ASN 21 7.711 -6.535 -1.591 129 2HB ASN 21 1HB ASN 21 5.972 -6.740 -1.381 130 1HD2 ASN 21 1HD2 ASN 21 8.560 -6.672 -3.750 131 2HD2 ASN 21 2HD2 ASN 21 7.593 -7.030 -5.098 132 H LEU 22 H LEU 22 5.689 -2.446 -1.038 133 HA LEU 22 HA LEU 22 3.132 -3.545 0.044 134 1HB LEU 22 2HB LEU 22 4.690 -0.971 0.408 135 2HB LEU 22 1HB LEU 22 3.092 -1.225 1.106 136 HG LEU 22 HG LEU 22 5.446 -3.073 1.586 137 1HD1 LEU 22 1HD1 LEU 22 4.698 -0.502 2.804 138 2HD1 LEU 22 2HD1 LEU 22 6.218 -1.391 2.898 139 3HD1 LEU 22 3HD1 LEU 22 4.885 -1.809 3.973 140 1HD2 LEU 22 1HD2 LEU 22 3.810 -4.408 2.393 141 2HD2 LEU 22 2HD2 LEU 22 2.597 -3.144 2.193 142 3HD2 LEU 22 3HD2 LEU 22 3.567 -3.211 3.664 143 H VAL 23 H VAL 23 1.161 -2.924 -0.813 144 HA VAL 23 HA VAL 23 1.121 -0.815 -2.942 145 HB VAL 23 HB VAL 23 -0.414 -2.386 -4.208 146 1HG1 VAL 23 1HG1 VAL 23 2.282 -3.652 -3.706 147 2HG1 VAL 23 2HG1 VAL 23 2.114 -2.128 -4.578 148 3HG1 VAL 23 3HG1 VAL 23 1.366 -3.594 -5.212 149 1HG2 VAL 23 1HG2 VAL 23 -0.504 -4.717 -3.589 150 2HG2 VAL 23 2HG2 VAL 23 -0.959 -3.781 -2.166 151 3HG2 VAL 23 3HG2 VAL 23 0.659 -4.471 -2.287 152 H CYS 24 H CYS 24 -0.867 0.347 -3.037 153 HA CYS 24 HA CYS 24 -2.415 0.447 -0.592 154 1HB CYS 24 2HB CYS 24 -2.462 1.750 -3.300 155 2HB CYS 24 1HB CYS 24 -3.814 2.000 -2.196 156 H SER 25 H SER 25 -4.338 -0.559 -0.118 157 HA SER 25 HA SER 25 -5.428 -2.509 -2.070 158 1HB SER 25 2HB SER 25 -4.876 -2.963 0.383 159 2HB SER 25 1HB SER 25 -6.256 -1.948 0.792 160 HG SER 25 HG SER 25 -7.204 -3.857 0.619 161 H ARG 26 H ARG 26 -7.917 -2.663 -2.081 162 HA ARG 26 HA ARG 26 -9.050 0.071 -2.505 163 1HB ARG 26 2HB ARG 26 -9.480 -2.691 -3.591 164 2HB ARG 26 1HB ARG 26 -10.825 -1.552 -3.650 165 1HG ARG 26 2HG ARG 26 -8.990 0.085 -4.620 166 2HG ARG 26 1HG ARG 26 -8.169 -1.420 -5.035 167 1HD ARG 26 2HD ARG 26 -10.251 -2.191 -6.200 168 2HD ARG 26 1HD ARG 26 -10.971 -0.600 -5.881 169 HE ARG 26 HE ARG 26 -8.592 -1.084 -7.614 170 1HH1 ARG 26 1HH2 ARG 26 -11.107 0.053 -8.748 171 2HH1 ARG 26 2HH2 ARG 26 -10.778 1.753 -8.757 172 1HH2 ARG 26 2HH1 ARG 26 -8.108 1.515 -6.546 173 2HH2 ARG 26 1HH1 ARG 26 -9.075 2.583 -7.506 174 H LYS 27 H LYS 27 -9.802 -3.075 -0.976 175 HA LYS 27 HA LYS 27 -12.265 -2.096 0.261 176 1HB LYS 27 2HB LYS 27 -12.355 -4.336 1.164 177 2HB LYS 27 1HB LYS 27 -11.729 -4.465 -0.478 178 1HG LYS 27 2HG LYS 27 -9.393 -4.414 0.519 179 2HG LYS 27 1HG LYS 27 -10.149 -4.575 2.104 180 1HD LYS 27 2HD LYS 27 -11.031 -6.714 1.594 181 2HD LYS 27 1HD LYS 27 -10.759 -6.504 -0.136 182 1HE LYS 27 2HE LYS 27 -8.211 -6.217 0.750 183 2HE LYS 27 1HE LYS 27 -8.843 -7.323 1.986 184 1HZ LYS 27 1HZ LYS 27 -8.047 -8.544 0.046 185 2HZ LYS 27 2HZ LYS 27 -9.114 -7.682 -0.955 186 3HZ LYS 27 3HZ LYS 27 -9.722 -8.735 0.232 187 H HIS 28 H HIS 28 -8.874 -2.364 1.208 188 HA HIS 28 HA HIS 28 -9.555 -1.519 3.996 189 1HB HIS 28 2HB HIS 28 -7.171 -2.811 2.654 190 2HB HIS 28 1HB HIS 28 -7.075 -2.167 4.292 191 HD1 HIS 28 HD1 HIS 28 -9.744 -3.018 5.466 192 HD2 HIS 28 HD2 HIS 28 -7.440 -5.535 3.070 193 HE1 HIS 28 HE1 HIS 28 -10.464 -5.383 6.012 194 H ARG 29 H ARG 29 -8.091 -0.397 1.021 195 HA ARG 29 HA ARG 29 -7.074 1.649 0.445 196 1HB ARG 29 2HB ARG 29 -9.216 2.068 2.288 197 2HB ARG 29 1HB ARG 29 -7.933 3.202 2.708 198 1HG ARG 29 2HG ARG 29 -9.054 4.415 1.074 199 2HG ARG 29 1HG ARG 29 -7.847 3.586 0.092 200 1HD ARG 29 2HD ARG 29 -9.883 3.195 -1.071 201 2HD ARG 29 1HD ARG 29 -9.656 1.708 -0.130 202 HE ARG 29 HE ARG 29 -11.230 3.939 1.072 203 1HH1 ARG 29 2HH1 ARG 29 -11.037 1.221 2.350 204 2HH1 ARG 29 1HH1 ARG 29 -12.527 0.487 1.860 205 1HH2 ARG 29 1HH2 ARG 29 -13.140 2.793 -0.666 206 2HH2 ARG 29 2HH2 ARG 29 -13.721 1.379 0.149 207 H TRP 30 H TRP 30 -5.364 -0.109 1.797 208 HA TRP 30 HA TRP 30 -3.614 1.812 3.250 209 1HB TRP 30 2HB TRP 30 -3.335 0.285 5.102 210 2HB TRP 30 1HB TRP 30 -5.058 0.519 4.853 211 HD1 TRP 30 HD1 TRP 30 -4.482 -1.650 2.140 212 HE1 TRP 30 HE1 TRP 30 -4.738 -4.136 2.745 213 HE3 TRP 30 HE3 TRP 30 -4.174 -1.350 7.223 214 HZ2 TRP 30 HZ2 TRP 30 -4.803 -5.787 5.078 215 HZ3 TRP 30 HZ3 TRP 30 -4.336 -3.393 8.613 216 HH2 TRP 30 HH2 TRP 30 -4.650 -5.610 7.548 217 H CYS 31 H CYS 31 -1.394 0.580 3.714 218 HA CYS 31 HA CYS 31 -0.461 -0.387 1.098 219 1HB CYS 31 2HB CYS 31 0.823 0.243 3.765 220 2HB CYS 31 1HB CYS 31 1.749 -0.355 2.389 221 H LYS 32 H LYS 32 -1.442 -2.477 0.916 222 HA LYS 32 HA LYS 32 -0.926 -4.515 3.000 223 1HB LYS 32 2HB LYS 32 -3.019 -4.048 1.411 224 2HB LYS 32 1HB LYS 32 -2.112 -5.076 0.302 225 1HG LYS 32 2HG LYS 32 -1.966 -6.820 2.060 226 2HG LYS 32 1HG LYS 32 -2.925 -5.799 3.132 227 1HD LYS 32 2HD LYS 32 -4.788 -5.840 1.522 228 2HD LYS 32 1HD LYS 32 -3.832 -6.849 0.435 229 1HE LYS 32 2HE LYS 32 -3.812 -8.675 2.012 230 2HE LYS 32 1HE LYS 32 -4.516 -7.656 3.282 231 1HZ LYS 32 1HZ LYS 32 -5.805 -8.275 0.674 232 2HZ LYS 32 2HZ LYS 32 -6.473 -7.333 1.921 233 3HZ LYS 32 3HZ LYS 32 -6.213 -8.996 2.154 234 H TYR 33 H TYR 33 0.105 -6.607 2.334 235 HA TYR 33 HA TYR 33 2.528 -6.118 0.719 236 1HB TYR 33 2HB TYR 33 2.543 -7.266 2.930 237 2HB TYR 33 1HB TYR 33 1.548 -8.553 2.250 238 HD1 TYR 33 HD1 TYR 33 2.672 -10.467 1.559 239 HD2 TYR 33 HD2 TYR 33 4.683 -6.675 1.344 240 HE1 TYR 33 HE1 TYR 33 4.707 -11.593 0.705 241 HE2 TYR 33 HE2 TYR 33 6.719 -7.804 0.490 242 HH TYR 33 HH TYR 33 6.911 -10.451 -0.887 243 H GLU 34 H GLU 34 2.981 -7.139 -1.246 244 HA GLU 34 HA GLU 34 0.699 -8.154 -2.786 245 1HB GLU 34 2HB GLU 34 3.000 -6.740 -3.298 246 2HB GLU 34 1HB GLU 34 3.438 -8.347 -3.878 247 1HG GLU 34 2HG GLU 34 0.844 -6.990 -4.649 248 2HG GLU 34 1HG GLU 34 2.324 -6.815 -5.591 249 H ILE 35 H ILE 35 0.406 -10.297 -3.474 250 HA ILE 35 HA ILE 35 1.578 -12.418 -1.884 251 HB ILE 35 HB ILE 35 -0.747 -12.221 -2.973 252 1HG1 ILE 35 1HG1 ILE 35 -0.336 -14.832 -3.789 253 2HG1 ILE 35 2HG1 ILE 35 1.004 -14.561 -2.675 254 1HG2 ILE 35 1HG2 ILE 35 0.284 -11.693 -5.260 255 2HG2 ILE 35 2HG2 ILE 35 0.661 -13.412 -5.370 256 3HG2 ILE 35 3HG2 ILE 35 -1.017 -12.882 -5.245 257 1HD1 ILE 35 1HD1 ILE 35 -1.798 -13.736 -1.932 258 2HD1 ILE 35 2HD1 ILE 35 -1.254 -15.396 -1.694 259 3HD1 ILE 35 3HD1 ILE 35 -0.429 -14.072 -0.872 260 1HN NH2 36 1HN NH2 36 3.174 -10.621 -4.010 261 2HN NH2 36 2HN NH2 36 4.449 -11.769 -3.521 Start of MODEL 19 1 1H GLU 1 1H GLU 1 10.444 8.787 -2.951 2 2H GLU 1 2H GLU 1 8.964 8.416 -3.699 3 3H GLU 1 3H GLU 1 9.983 7.168 -3.159 4 HA GLU 1 HA GLU 1 9.652 7.859 -0.853 5 1HB GLU 1 2HB GLU 1 8.349 10.068 -2.378 6 2HB GLU 1 1HB GLU 1 7.608 9.623 -0.842 7 1HG GLU 1 2HG GLU 1 10.580 9.970 -0.926 8 2HG GLU 1 1HG GLU 1 9.569 11.416 -0.939 9 H CYS 2 H CYS 2 8.422 6.207 -0.063 10 HA CYS 2 HA CYS 2 5.793 5.621 -1.387 11 1HB CYS 2 2HB CYS 2 6.338 3.225 -0.989 12 2HB CYS 2 1HB CYS 2 7.523 4.005 -2.033 13 H LEU 3 H LEU 3 4.434 4.151 0.137 14 HA LEU 3 HA LEU 3 4.431 5.395 2.845 15 1HB LEU 3 2HB LEU 3 2.426 3.848 1.175 16 2HB LEU 3 1HB LEU 3 2.101 4.361 2.830 17 HG LEU 3 HG LEU 3 3.059 6.376 0.816 18 1HD1 LEU 3 1HD1 LEU 3 0.726 6.852 0.204 19 2HD1 LEU 3 2HD1 LEU 3 0.178 5.505 1.203 20 3HD1 LEU 3 3HD1 LEU 3 1.148 5.197 -0.238 21 1HD2 LEU 3 1HD2 LEU 3 2.141 6.353 3.538 22 2HD2 LEU 3 2HD2 LEU 3 1.010 7.298 2.570 23 3HD2 LEU 3 3HD2 LEU 3 2.721 7.722 2.591 24 H GLY 4 H GLY 4 4.565 4.122 4.724 25 1HA GLY 4 2HA GLY 4 5.882 1.553 4.504 26 2HA GLY 4 1HA GLY 4 5.348 2.310 6.003 27 H PHE 5 H PHE 5 4.446 0.352 6.817 28 HA PHE 5 HA PHE 5 2.350 -1.032 5.260 29 1HB PHE 5 2HB PHE 5 3.868 -2.399 6.499 30 2HB PHE 5 1HB PHE 5 3.693 -1.409 7.946 31 HD1 PHE 5 HD1 PHE 5 2.346 -2.252 9.639 32 HD2 PHE 5 HD2 PHE 5 1.492 -3.327 5.568 33 HE1 PHE 5 HE1 PHE 5 0.478 -3.688 10.410 34 HE2 PHE 5 HE2 PHE 5 -0.377 -4.762 6.342 35 HZ PHE 5 HZ PHE 5 -0.883 -4.943 8.761 36 H GLY 6 H GLY 6 0.161 -0.880 5.668 37 1HA GLY 6 2HA GLY 6 -1.855 -0.092 6.549 38 2HA GLY 6 1HA GLY 6 -1.019 0.092 8.090 39 H LYS 7 H LYS 7 -0.484 1.670 4.933 40 HA LYS 7 HA LYS 7 -0.784 4.320 6.311 41 1HB LYS 7 2HB LYS 7 1.015 3.219 4.162 42 2HB LYS 7 1HB LYS 7 0.706 4.954 4.237 43 1HG LYS 7 2HG LYS 7 1.311 3.816 6.864 44 2HG LYS 7 1HG LYS 7 2.625 3.585 5.710 45 1HD LYS 7 2HD LYS 7 3.043 5.833 5.521 46 2HD LYS 7 1HD LYS 7 1.350 6.273 5.746 47 1HE LYS 7 2HE LYS 7 1.571 5.660 8.179 48 2HE LYS 7 1HE LYS 7 3.309 5.427 7.908 49 1HZ LYS 7 1HZ LYS 7 3.450 7.676 7.041 50 2HZ LYS 7 2HZ LYS 7 2.825 7.699 8.620 51 3HZ LYS 7 3HZ LYS 7 1.788 7.908 7.291 52 H GLY 8 H GLY 8 -2.066 5.897 5.266 53 1HA GLY 8 2HA GLY 8 -4.256 5.061 3.679 54 2HA GLY 8 1HA GLY 8 -3.728 6.737 3.838 55 H CYS 9 H CYS 9 -4.098 4.211 1.662 56 HA CYS 9 HA CYS 9 -2.434 5.638 -0.371 57 1HB CYS 9 2HB CYS 9 -1.004 3.882 0.321 58 2HB CYS 9 1HB CYS 9 -2.343 2.754 0.518 59 H ASN 10 H ASN 10 -3.308 5.495 -2.496 60 HA ASN 10 HA ASN 10 -6.117 4.515 -2.636 61 1HB ASN 10 2HB ASN 10 -4.829 6.805 -3.470 62 2HB ASN 10 1HB ASN 10 -4.890 5.863 -4.959 63 1HD2 ASN 10 1HD2 ASN 10 -6.898 5.745 -6.038 64 2HD2 ASN 10 2HD2 ASN 10 -8.351 6.351 -5.407 65 HA PRO 11 HA PRO 11 -4.837 0.911 -4.869 66 1HB PRO 11 2HB PRO 11 -7.220 0.329 -6.102 67 2HB PRO 11 1HB PRO 11 -6.909 0.012 -4.383 68 1HG PRO 11 2HG PRO 11 -8.358 2.291 -5.652 69 2HG PRO 11 1HG PRO 11 -8.770 1.362 -4.201 70 1HD PRO 11 2HD PRO 11 -7.630 3.805 -4.072 71 2HD PRO 11 1HD PRO 11 -7.307 2.538 -2.866 72 H SER 12 H SER 12 -5.970 3.820 -6.381 73 HA SER 12 HA SER 12 -5.505 2.875 -9.142 74 1HB SER 12 2HB SER 12 -6.202 5.565 -7.918 75 2HB SER 12 1HB SER 12 -6.147 5.243 -9.648 76 HG SER 12 HG SER 12 -7.971 4.178 -9.506 77 H ASN 13 H ASN 13 -3.950 4.998 -6.729 78 HA ASN 13 HA ASN 13 -1.730 5.657 -8.568 79 1HB ASN 13 2HB ASN 13 -2.676 7.346 -7.057 80 2HB ASN 13 1HB ASN 13 -2.334 6.319 -5.666 81 1HD2 ASN 13 1HD2 ASN 13 -0.552 7.779 -8.460 82 2HD2 ASN 13 2HD2 ASN 13 0.849 8.124 -7.567 83 H ASP 14 H ASP 14 -2.224 3.873 -5.523 84 HA ASP 14 HA ASP 14 -0.933 2.225 -4.450 85 1HB ASP 14 2HB ASP 14 -0.729 1.874 -7.351 86 2HB ASP 14 1HB ASP 14 0.661 1.202 -6.498 87 H GLN 15 H GLN 15 0.244 3.907 -3.273 88 HA GLN 15 HA GLN 15 3.010 4.440 -4.304 89 1HB GLN 15 2HB GLN 15 1.160 6.241 -3.736 90 2HB GLN 15 1HB GLN 15 1.666 5.943 -2.074 91 1HG GLN 15 2HG GLN 15 3.418 7.315 -2.400 92 2HG GLN 15 1HG GLN 15 4.041 6.185 -3.602 93 1HE2 GLN 15 1HE2 GLN 15 3.516 6.607 -5.888 94 2HE2 GLN 15 2HE2 GLN 15 2.965 8.133 -6.385 95 H CYS 16 H CYS 16 2.115 1.973 -2.799 96 HA CYS 16 HA CYS 16 3.179 2.263 -0.076 97 1HB CYS 16 2HB CYS 16 2.309 -0.076 -1.802 98 2HB CYS 16 1HB CYS 16 2.810 -0.245 -0.121 99 H CYS 17 H CYS 17 5.111 1.061 0.666 100 HA CYS 17 HA CYS 17 7.377 1.340 -1.133 101 1HB CYS 17 2HB CYS 17 7.040 0.060 1.599 102 2HB CYS 17 1HB CYS 17 8.594 0.393 0.838 103 H LYS 18 H LYS 18 7.459 -0.102 -2.842 104 HA LYS 18 HA LYS 18 6.514 -2.824 -2.760 105 1HB LYS 18 2HB LYS 18 7.381 -0.964 -4.641 106 2HB LYS 18 1HB LYS 18 8.625 -2.213 -4.705 107 1HG LYS 18 2HG LYS 18 7.019 -2.983 -6.243 108 2HG LYS 18 1HG LYS 18 6.631 -3.882 -4.777 109 1HD LYS 18 2HD LYS 18 4.933 -2.127 -4.211 110 2HD LYS 18 1HD LYS 18 5.258 -1.368 -5.770 111 1HE LYS 18 2HE LYS 18 4.262 -3.099 -6.976 112 2HE LYS 18 1HE LYS 18 4.562 -4.295 -5.700 113 1HZ LYS 18 1HZ LYS 18 2.989 -3.121 -4.279 114 2HZ LYS 18 2HZ LYS 18 2.236 -3.623 -5.717 115 3HZ LYS 18 3HZ LYS 18 2.682 -1.997 -5.512 116 H SER 19 H SER 19 9.657 -1.330 -2.073 117 HA SER 19 HA SER 19 11.266 -3.713 -2.088 118 1HB SER 19 2HB SER 19 11.436 -1.022 -0.711 119 2HB SER 19 1HB SER 19 12.715 -2.225 -0.577 120 HG SER 19 HG SER 19 13.276 -1.839 -2.578 121 H SER 20 H SER 20 9.067 -2.339 0.301 122 HA SER 20 HA SER 20 9.970 -4.295 2.366 123 1HB SER 20 2HB SER 20 8.264 -1.797 2.335 124 2HB SER 20 1HB SER 20 8.349 -2.844 3.749 125 HG SER 20 HG SER 20 10.267 -1.171 2.619 126 H ASN 21 H ASN 21 8.272 -4.905 -0.133 127 HA ASN 21 HA ASN 21 6.397 -6.206 -0.692 128 1HB ASN 21 2HB ASN 21 7.313 -7.008 2.034 129 2HB ASN 21 1HB ASN 21 5.768 -7.656 1.485 130 1HD2 ASN 21 1HD2 ASN 21 9.254 -7.635 0.829 131 2HD2 ASN 21 2HD2 ASN 21 9.230 -8.924 -0.275 132 H LEU 22 H LEU 22 5.399 -3.818 -0.537 133 HA LEU 22 HA LEU 22 3.002 -4.022 1.254 134 1HB LEU 22 2HB LEU 22 4.851 -1.698 0.670 135 2HB LEU 22 1HB LEU 22 3.237 -1.458 1.337 136 HG LEU 22 HG LEU 22 5.236 -3.341 2.602 137 1HD1 LEU 22 1HD1 LEU 22 5.467 -1.369 4.270 138 2HD1 LEU 22 2HD1 LEU 22 4.863 -0.369 2.949 139 3HD1 LEU 22 3HD1 LEU 22 6.363 -1.275 2.754 140 1HD2 LEU 22 1HD2 LEU 22 2.705 -1.961 3.552 141 2HD2 LEU 22 2HD2 LEU 22 3.773 -2.895 4.598 142 3HD2 LEU 22 3HD2 LEU 22 2.924 -3.688 3.272 143 H VAL 23 H VAL 23 1.136 -3.945 0.078 144 HA VAL 23 HA VAL 23 1.186 -2.593 -2.604 145 HB VAL 23 HB VAL 23 -0.405 -4.419 -3.302 146 1HG1 VAL 23 1HG1 VAL 23 1.611 -6.245 -2.764 147 2HG1 VAL 23 2HG1 VAL 23 2.442 -4.692 -2.677 148 3HG1 VAL 23 3HG1 VAL 23 1.564 -5.141 -4.138 149 1HG2 VAL 23 1HG2 VAL 23 -1.103 -4.965 -0.920 150 2HG2 VAL 23 2HG2 VAL 23 0.454 -5.771 -0.726 151 3HG2 VAL 23 3HG2 VAL 23 -0.705 -6.366 -1.914 152 H CYS 24 H CYS 24 -0.734 -1.440 -3.148 153 HA CYS 24 HA CYS 24 -2.291 -0.451 -0.901 154 1HB CYS 24 2HB CYS 24 -1.525 0.545 -3.273 155 2HB CYS 24 1HB CYS 24 -3.128 -0.030 -3.736 156 H SER 25 H SER 25 -4.257 -1.181 -0.192 157 HA SER 25 HA SER 25 -5.430 -3.591 -1.415 158 1HB SER 25 2HB SER 25 -6.022 -1.888 1.020 159 2HB SER 25 1HB SER 25 -6.963 -3.317 0.602 160 HG SER 25 HG SER 25 -5.444 -4.366 1.600 161 H ARG 26 H ARG 26 -7.821 -3.656 -1.826 162 HA ARG 26 HA ARG 26 -8.683 -1.261 -3.348 163 1HB ARG 26 2HB ARG 26 -8.776 -3.990 -3.746 164 2HB ARG 26 1HB ARG 26 -10.420 -3.642 -3.212 165 1HG ARG 26 2HG ARG 26 -9.465 -1.653 -5.119 166 2HG ARG 26 1HG ARG 26 -9.415 -3.282 -5.793 167 1HD ARG 26 2HD ARG 26 -11.639 -3.010 -6.205 168 2HD ARG 26 1HD ARG 26 -11.868 -3.202 -4.455 169 HE ARG 26 HE ARG 26 -11.122 -0.490 -5.360 170 1HH1 ARG 26 1HH2 ARG 26 -13.801 -0.971 -6.498 171 2HH1 ARG 26 2HH2 ARG 26 -14.862 -0.531 -5.201 172 1HH2 ARG 26 2HH1 ARG 26 -12.384 -0.676 -2.772 173 2HH2 ARG 26 1HH1 ARG 26 -14.057 -0.364 -3.087 174 H LYS 27 H LYS 27 -10.121 -3.464 -0.891 175 HA LYS 27 HA LYS 27 -12.296 -1.576 -0.319 176 1HB LYS 27 2HB LYS 27 -11.872 -4.303 -0.127 177 2HB LYS 27 1HB LYS 27 -11.791 -3.787 1.557 178 1HG LYS 27 2HG LYS 27 -14.004 -2.721 -0.159 179 2HG LYS 27 1HG LYS 27 -14.122 -4.376 0.438 180 1HD LYS 27 2HD LYS 27 -14.940 -3.491 2.349 181 2HD LYS 27 1HD LYS 27 -13.297 -2.940 2.674 182 1HE LYS 27 2HE LYS 27 -14.376 -0.890 2.771 183 2HE LYS 27 1HE LYS 27 -14.099 -0.951 1.019 184 1HZ LYS 27 1HZ LYS 27 -16.513 -1.985 2.418 185 2HZ LYS 27 2HZ LYS 27 -16.239 -2.029 0.741 186 3HZ LYS 27 3HZ LYS 27 -16.440 -0.540 1.534 187 H HIS 28 H HIS 28 -9.155 -2.383 1.084 188 HA HIS 28 HA HIS 28 -9.715 -0.880 3.571 189 1HB HIS 28 2HB HIS 28 -7.180 -2.187 2.526 190 2HB HIS 28 1HB HIS 28 -7.474 -1.668 4.184 191 HD1 HIS 28 HD1 HIS 28 -10.278 -2.753 4.679 192 HD2 HIS 28 HD2 HIS 28 -7.329 -4.949 2.715 193 HE1 HIS 28 HE1 HIS 28 -10.933 -5.188 4.900 194 H ARG 29 H ARG 29 -8.131 -0.389 0.472 195 HA ARG 29 HA ARG 29 -7.071 1.489 -0.468 196 1HB ARG 29 2HB ARG 29 -9.395 2.228 0.736 197 2HB ARG 29 1HB ARG 29 -8.257 3.265 1.596 198 1HG ARG 29 2HG ARG 29 -7.415 4.163 -0.506 199 2HG ARG 29 1HG ARG 29 -8.424 3.045 -1.424 200 1HD ARG 29 2HD ARG 29 -9.747 4.980 -1.458 201 2HD ARG 29 1HD ARG 29 -10.381 4.172 -0.010 202 HE ARG 29 HE ARG 29 -8.389 5.566 1.118 203 1HH1 ARG 29 1HH2 ARG 29 -11.186 6.716 1.088 204 2HH1 ARG 29 2HH2 ARG 29 -10.910 8.292 0.423 205 1HH2 ARG 29 2HH1 ARG 29 -7.754 7.504 -0.809 206 2HH2 ARG 29 1HH1 ARG 29 -8.959 8.740 -0.656 207 H TRP 30 H TRP 30 -5.416 0.108 1.333 208 HA TRP 30 HA TRP 30 -3.685 2.315 2.260 209 1HB TRP 30 2HB TRP 30 -3.685 1.665 4.539 210 2HB TRP 30 1HB TRP 30 -5.378 1.612 4.072 211 HD1 TRP 30 HD1 TRP 30 -4.798 -1.312 2.471 212 HE1 TRP 30 HE1 TRP 30 -4.786 -3.416 3.955 213 HE3 TRP 30 HE3 TRP 30 -4.063 0.846 7.033 214 HZ2 TRP 30 HZ2 TRP 30 -4.505 -4.094 6.721 215 HZ3 TRP 30 HZ3 TRP 30 -3.929 -0.549 9.076 216 HH2 TRP 30 HH2 TRP 30 -4.148 -3.014 8.927 217 H CYS 31 H CYS 31 -1.578 1.182 3.287 218 HA CYS 31 HA CYS 31 -0.589 -0.648 1.213 219 1HB CYS 31 2HB CYS 31 0.593 0.655 3.679 220 2HB CYS 31 1HB CYS 31 1.525 -0.401 2.620 221 H LYS 32 H LYS 32 -0.741 -2.832 1.378 222 HA LYS 32 HA LYS 32 -1.176 -4.060 4.077 223 1HB LYS 32 2HB LYS 32 -2.831 -4.200 2.077 224 2HB LYS 32 1HB LYS 32 -1.667 -5.323 1.376 225 1HG LYS 32 2HG LYS 32 -1.789 -6.549 3.658 226 2HG LYS 32 1HG LYS 32 -3.264 -5.616 3.917 227 1HD LYS 32 2HD LYS 32 -3.617 -6.552 1.350 228 2HD LYS 32 1HD LYS 32 -2.784 -7.899 2.125 229 1HE LYS 32 2HE LYS 32 -4.593 -7.263 4.070 230 2HE LYS 32 1HE LYS 32 -5.514 -6.852 2.610 231 1HZ LYS 32 1HZ LYS 32 -4.067 -9.407 3.094 232 2HZ LYS 32 2HZ LYS 32 -4.903 -9.005 1.670 233 3HZ LYS 32 3HZ LYS 32 -5.750 -9.203 3.129 234 H TYR 33 H TYR 33 0.291 -5.610 4.795 235 HA TYR 33 HA TYR 33 2.870 -5.828 3.468 236 1HB TYR 33 2HB TYR 33 2.335 -5.838 5.964 237 2HB TYR 33 1HB TYR 33 1.753 -7.488 5.744 238 HD1 TYR 33 HD1 TYR 33 4.730 -5.378 4.842 239 HD2 TYR 33 HD2 TYR 33 3.270 -9.224 6.080 240 HE1 TYR 33 HE1 TYR 33 7.059 -6.217 4.977 241 HE2 TYR 33 HE2 TYR 33 5.599 -10.063 6.216 242 HH TYR 33 HH TYR 33 8.108 -8.476 6.561 243 H GLU 34 H GLU 34 3.246 -7.187 1.772 244 HA GLU 34 HA GLU 34 1.472 -9.541 1.352 245 1HB GLU 34 2HB GLU 34 2.545 -7.554 -0.279 246 2HB GLU 34 1HB GLU 34 3.544 -8.963 -0.639 247 1HG GLU 34 2HG GLU 34 0.653 -9.532 -0.444 248 2HG GLU 34 1HG GLU 34 1.104 -8.477 -1.783 249 H ILE 35 H ILE 35 2.196 -11.520 1.982 250 HA ILE 35 HA ILE 35 5.102 -12.152 1.820 251 HB ILE 35 HB ILE 35 4.438 -11.166 4.076 252 1HG1 ILE 35 1HG1 ILE 35 5.312 -13.545 5.196 253 2HG1 ILE 35 2HG1 ILE 35 5.874 -13.669 3.530 254 1HG2 ILE 35 1HG2 ILE 35 2.188 -12.362 4.069 255 2HG2 ILE 35 2HG2 ILE 35 3.067 -13.831 4.491 256 3HG2 ILE 35 3HG2 ILE 35 3.092 -12.445 5.580 257 1HD1 ILE 35 1HD1 ILE 35 6.472 -11.049 4.161 258 2HD1 ILE 35 2HD1 ILE 35 6.786 -11.889 5.679 259 3HD1 ILE 35 3HD1 ILE 35 7.616 -12.390 4.206 260 1HN NH2 36 1HN NH2 36 4.411 -15.236 0.746 261 2HN NH2 36 2HN NH2 36 5.403 -13.768 0.885 Start of MODEL 20 1 1H GLU 1 1H GLU 1 -7.267 10.417 -5.069 2 2H GLU 1 2H GLU 1 -8.557 9.312 -5.012 3 3H GLU 1 3H GLU 1 -8.459 10.442 -6.276 4 HA GLU 1 HA GLU 1 -7.764 8.266 -7.071 5 1HB GLU 1 2HB GLU 1 -6.097 10.700 -6.885 6 2HB GLU 1 1HB GLU 1 -5.212 9.254 -7.368 7 1HG GLU 1 2HG GLU 1 -5.958 9.864 -9.448 8 2HG GLU 1 1HG GLU 1 -7.388 8.968 -8.936 9 H CYS 2 H CYS 2 -7.335 6.342 -6.054 10 HA CYS 2 HA CYS 2 -5.292 6.284 -3.868 11 1HB CYS 2 2HB CYS 2 -6.471 4.341 -3.103 12 2HB CYS 2 1HB CYS 2 -7.709 5.507 -3.563 13 H LEU 3 H LEU 3 -4.012 4.152 -3.819 14 HA LEU 3 HA LEU 3 -2.950 3.613 -6.555 15 1HB LEU 3 2HB LEU 3 -1.894 3.013 -3.769 16 2HB LEU 3 1HB LEU 3 -1.010 2.743 -5.269 17 HG LEU 3 HG LEU 3 -2.085 5.457 -4.461 18 1HD1 LEU 3 1HD1 LEU 3 0.782 4.536 -4.203 19 2HD1 LEU 3 2HD1 LEU 3 -0.356 4.437 -2.859 20 3HD1 LEU 3 3HD1 LEU 3 0.047 6.005 -3.559 21 1HD2 LEU 3 1HD2 LEU 3 -1.622 5.159 -6.856 22 2HD2 LEU 3 2HD2 LEU 3 -0.009 4.552 -6.483 23 3HD2 LEU 3 3HD2 LEU 3 -0.420 6.231 -6.137 24 H GLY 4 H GLY 4 -2.730 1.439 -7.311 25 1HA GLY 4 2HA GLY 4 -4.693 -0.446 -6.171 26 2HA GLY 4 1HA GLY 4 -3.830 -0.645 -7.696 27 H PHE 5 H PHE 5 -3.657 -2.905 -6.609 28 HA PHE 5 HA PHE 5 -1.744 -3.225 -4.431 29 1HB PHE 5 2HB PHE 5 -3.498 -4.846 -4.781 30 2HB PHE 5 1HB PHE 5 -3.027 -5.076 -6.464 31 HD1 PHE 5 HD1 PHE 5 -1.486 -6.749 -7.046 32 HD2 PHE 5 HD2 PHE 5 -1.729 -5.430 -2.965 33 HE1 PHE 5 HE1 PHE 5 0.084 -8.545 -6.372 34 HE2 PHE 5 HE2 PHE 5 -0.160 -7.228 -2.293 35 HZ PHE 5 HZ PHE 5 0.746 -8.785 -3.994 36 H GLY 6 H GLY 6 0.451 -3.736 -4.597 37 1HA GLY 6 2HA GLY 6 2.563 -4.031 -5.576 38 2HA GLY 6 1HA GLY 6 1.744 -4.511 -7.061 39 H LYS 7 H LYS 7 1.199 -1.426 -5.440 40 HA LYS 7 HA LYS 7 2.326 -0.034 -7.839 41 1HB LYS 7 2HB LYS 7 -0.069 0.267 -7.431 42 2HB LYS 7 1HB LYS 7 0.247 0.735 -5.762 43 1HG LYS 7 2HG LYS 7 -0.123 2.751 -7.056 44 2HG LYS 7 1HG LYS 7 1.585 2.680 -6.623 45 1HD LYS 7 2HD LYS 7 1.975 1.564 -8.888 46 2HD LYS 7 1HD LYS 7 0.321 2.022 -9.293 47 1HE LYS 7 2HE LYS 7 1.550 3.858 -10.112 48 2HE LYS 7 1HE LYS 7 1.102 4.422 -8.490 49 1HZ LYS 7 1HZ LYS 7 3.497 4.654 -8.907 50 2HZ LYS 7 2HZ LYS 7 3.617 2.980 -9.166 51 3HZ LYS 7 3HZ LYS 7 3.186 3.577 -7.635 52 H GLY 8 H GLY 8 4.088 1.288 -7.521 53 1HA GLY 8 2HA GLY 8 5.590 1.314 -5.123 54 2HA GLY 8 1HA GLY 8 5.785 2.481 -6.429 55 H CYS 9 H CYS 9 4.894 2.140 -3.210 56 HA CYS 9 HA CYS 9 3.781 4.909 -3.173 57 1HB CYS 9 2HB CYS 9 1.878 4.211 -1.902 58 2HB CYS 9 1HB CYS 9 1.999 3.062 -3.232 59 H ASN 10 H ASN 10 3.834 5.823 -0.924 60 HA ASN 10 HA ASN 10 6.262 4.887 0.518 61 1HB ASN 10 2HB ASN 10 5.567 7.312 -0.311 62 2HB ASN 10 1HB ASN 10 4.667 7.336 1.206 63 1HD2 ASN 10 1HD2 ASN 10 5.879 8.229 2.877 64 2HD2 ASN 10 2HD2 ASN 10 7.563 8.096 3.044 65 HA PRO 11 HA PRO 11 3.747 3.055 3.673 66 1HB PRO 11 2HB PRO 11 5.650 2.879 5.636 67 2HB PRO 11 1HB PRO 11 5.591 1.787 4.238 68 1HG PRO 11 2HG PRO 11 7.314 4.171 4.703 69 2HG PRO 11 1HG PRO 11 7.717 2.613 3.964 70 1HD PRO 11 2HD PRO 11 7.235 4.864 2.519 71 2HD PRO 11 1HD PRO 11 6.905 3.228 1.910 72 H SER 12 H SER 12 5.697 5.955 4.360 73 HA SER 12 HA SER 12 4.427 6.659 6.850 74 1HB SER 12 2HB SER 12 6.626 7.474 5.795 75 2HB SER 12 1HB SER 12 5.632 8.545 4.812 76 HG SER 12 HG SER 12 5.584 9.805 6.482 77 H ASN 13 H ASN 13 3.805 7.666 3.464 78 HA ASN 13 HA ASN 13 1.498 9.310 4.239 79 1HB ASN 13 2HB ASN 13 3.258 9.470 2.248 80 2HB ASN 13 1HB ASN 13 2.090 8.429 1.434 81 1HD2 ASN 13 1HD2 ASN 13 2.866 11.618 1.672 82 2HD2 ASN 13 2HD2 ASN 13 1.328 12.315 1.494 83 H ASP 14 H ASP 14 2.011 6.252 2.476 84 HA ASP 14 HA ASP 14 0.556 4.463 2.006 85 1HB ASP 14 2HB ASP 14 0.449 5.092 4.667 86 2HB ASP 14 1HB ASP 14 -1.255 5.209 4.229 87 H GLN 15 H GLN 15 -0.193 5.599 0.033 88 HA GLN 15 HA GLN 15 -2.929 6.804 0.292 89 1HB GLN 15 2HB GLN 15 -0.580 7.167 -1.555 90 2HB GLN 15 1HB GLN 15 -2.196 7.610 -2.105 91 1HG GLN 15 2HG GLN 15 -2.388 8.922 0.112 92 2HG GLN 15 1HG GLN 15 -0.637 8.738 0.220 93 1HE2 GLN 15 1HE2 GLN 15 0.574 10.316 -0.860 94 2HE2 GLN 15 2HE2 GLN 15 -0.030 11.334 -2.077 95 H CYS 16 H CYS 16 -2.492 3.900 0.251 96 HA CYS 16 HA CYS 16 -3.162 3.006 -2.482 97 1HB CYS 16 2HB CYS 16 -1.760 1.901 -0.485 98 2HB CYS 16 1HB CYS 16 -3.346 1.252 -0.068 99 H CYS 17 H CYS 17 -5.124 1.485 -2.676 100 HA CYS 17 HA CYS 17 -7.517 2.902 -1.741 101 1HB CYS 17 2HB CYS 17 -6.717 1.183 -3.866 102 2HB CYS 17 1HB CYS 17 -8.042 0.379 -3.026 103 H LYS 18 H LYS 18 -8.648 2.382 0.080 104 HA LYS 18 HA LYS 18 -7.847 0.112 1.754 105 1HB LYS 18 2HB LYS 18 -9.834 2.380 1.895 106 2HB LYS 18 1HB LYS 18 -9.836 1.106 3.114 107 1HG LYS 18 2HG LYS 18 -7.843 1.778 4.021 108 2HG LYS 18 1HG LYS 18 -7.189 2.292 2.466 109 1HD LYS 18 2HD LYS 18 -7.720 4.423 2.942 110 2HD LYS 18 1HD LYS 18 -9.420 3.972 3.068 111 1HE LYS 18 2HE LYS 18 -7.735 3.243 5.408 112 2HE LYS 18 1HE LYS 18 -8.016 4.978 5.164 113 1HZ LYS 18 1HZ LYS 18 -10.128 2.882 5.158 114 2HZ LYS 18 2HZ LYS 18 -10.377 4.551 4.956 115 3HZ LYS 18 3HZ LYS 18 -9.817 3.946 6.442 116 H SER 19 H SER 19 -10.345 0.752 -0.616 117 HA SER 19 HA SER 19 -12.358 -1.093 0.204 118 1HB SER 19 2HB SER 19 -12.377 0.712 -1.610 119 2HB SER 19 1HB SER 19 -11.527 -0.440 -2.635 120 HG SER 19 HG SER 19 -13.843 -0.486 -2.853 121 H SER 20 H SER 20 -9.347 -1.588 -1.634 122 HA SER 20 HA SER 20 -9.994 -4.477 -1.981 123 1HB SER 20 2HB SER 20 -8.400 -2.417 -3.320 124 2HB SER 20 1HB SER 20 -7.512 -3.925 -3.119 125 HG SER 20 HG SER 20 -8.893 -4.920 -4.404 126 H ASN 21 H ASN 21 -8.978 -2.949 0.609 127 HA ASN 21 HA ASN 21 -7.535 -3.440 2.406 128 1HB ASN 21 2HB ASN 21 -8.800 -5.667 1.601 129 2HB ASN 21 1HB ASN 21 -7.146 -6.176 1.263 130 1HD2 ASN 21 1HD2 ASN 21 -8.585 -4.217 3.950 131 2HD2 ASN 21 2HD2 ASN 21 -7.924 -5.178 5.184 132 H LEU 22 H LEU 22 -6.046 -1.981 0.847 133 HA LEU 22 HA LEU 22 -3.538 -3.542 0.299 134 1HB LEU 22 2HB LEU 22 -4.685 -1.103 -1.098 135 2HB LEU 22 1HB LEU 22 -3.157 -1.880 -1.507 136 HG LEU 22 HG LEU 22 -5.807 -3.337 -1.526 137 1HD1 LEU 22 1HD1 LEU 22 -5.915 -1.557 -3.183 138 2HD1 LEU 22 2HD1 LEU 22 -5.664 -3.094 -4.011 139 3HD1 LEU 22 3HD1 LEU 22 -4.313 -1.981 -3.789 140 1HD2 LEU 22 1HD2 LEU 22 -3.872 -4.800 -1.330 141 2HD2 LEU 22 2HD2 LEU 22 -3.048 -3.947 -2.635 142 3HD2 LEU 22 3HD2 LEU 22 -4.486 -4.909 -2.980 143 H VAL 23 H VAL 23 -1.709 -2.782 1.305 144 HA VAL 23 HA VAL 23 -1.779 -0.042 2.529 145 HB VAL 23 HB VAL 23 -0.525 -2.466 3.836 146 1HG1 VAL 23 1HG1 VAL 23 -0.932 0.362 4.474 147 2HG1 VAL 23 2HG1 VAL 23 0.183 -0.801 5.192 148 3HG1 VAL 23 3HG1 VAL 23 -1.485 -0.712 5.759 149 1HG2 VAL 23 1HG2 VAL 23 -2.818 -3.128 3.642 150 2HG2 VAL 23 2HG2 VAL 23 -3.390 -1.496 3.989 151 3HG2 VAL 23 3HG2 VAL 23 -2.657 -2.463 5.269 152 H CYS 24 H CYS 24 0.443 0.825 2.895 153 HA CYS 24 HA CYS 24 2.250 0.095 0.692 154 1HB CYS 24 2HB CYS 24 2.110 2.220 2.824 155 2HB CYS 24 1HB CYS 24 3.566 2.033 1.847 156 H SER 25 H SER 25 4.280 -0.870 0.911 157 HA SER 25 HA SER 25 4.828 -2.198 3.527 158 1HB SER 25 2HB SER 25 5.823 -2.648 0.696 159 2HB SER 25 1HB SER 25 6.280 -3.635 2.080 160 HG SER 25 HG SER 25 4.552 -4.632 1.133 161 H ARG 26 H ARG 26 7.323 -2.528 3.860 162 HA ARG 26 HA ARG 26 8.631 0.154 3.641 163 1HB ARG 26 2HB ARG 26 8.127 -1.155 5.841 164 2HB ARG 26 1HB ARG 26 9.493 -2.166 5.369 165 1HG ARG 26 2HG ARG 26 9.846 0.806 5.299 166 2HG ARG 26 1HG ARG 26 9.852 0.003 6.869 167 1HD ARG 26 2HD ARG 26 11.487 -1.379 4.837 168 2HD ARG 26 1HD ARG 26 12.069 0.244 5.255 169 HE ARG 26 HE ARG 26 11.871 -2.044 7.107 170 1HH1 ARG 26 1HH2 ARG 26 14.097 0.106 6.719 171 2HH1 ARG 26 2HH2 ARG 26 13.970 0.945 8.229 172 1HH2 ARG 26 2HH1 ARG 26 10.883 -0.427 9.038 173 2HH2 ARG 26 1HH1 ARG 26 12.148 0.642 9.544 174 H LYS 27 H LYS 27 9.452 -3.340 3.443 175 HA LYS 27 HA LYS 27 12.046 -2.910 2.231 176 1HB LYS 27 2HB LYS 27 10.159 -5.182 2.753 177 2HB LYS 27 1HB LYS 27 11.502 -5.452 1.641 178 1HG LYS 27 2HG LYS 27 12.742 -4.144 3.722 179 2HG LYS 27 1HG LYS 27 11.530 -5.109 4.565 180 1HD LYS 27 2HD LYS 27 13.274 -6.329 2.426 181 2HD LYS 27 1HD LYS 27 13.831 -6.206 4.094 182 1HE LYS 27 2HE LYS 27 12.694 -8.119 4.535 183 2HE LYS 27 1HE LYS 27 11.189 -7.229 4.235 184 1HZ LYS 27 1HZ LYS 27 11.439 -7.651 1.870 185 2HZ LYS 27 2HZ LYS 27 11.416 -9.120 2.723 186 3HZ LYS 27 3HZ LYS 27 12.885 -8.495 2.144 187 H HIS 28 H HIS 28 8.828 -3.750 0.920 188 HA HIS 28 HA HIS 28 9.853 -3.707 -1.856 189 1HB HIS 28 2HB HIS 28 7.120 -4.163 -0.614 190 2HB HIS 28 1HB HIS 28 7.477 -4.350 -2.331 191 HD1 HIS 28 HD1 HIS 28 10.079 -5.853 -2.346 192 HD2 HIS 28 HD2 HIS 28 7.040 -6.741 0.366 193 HE1 HIS 28 HE1 HIS 28 10.482 -8.230 -1.572 194 H ARG 29 H ARG 29 8.272 -1.545 0.385 195 HA ARG 29 HA ARG 29 7.412 0.636 0.141 196 1HB ARG 29 2HB ARG 29 9.552 0.308 -1.954 197 2HB ARG 29 1HB ARG 29 8.650 1.820 -1.860 198 1HG ARG 29 2HG ARG 29 9.499 2.365 0.224 199 2HG ARG 29 1HG ARG 29 9.766 0.681 0.672 200 1HD ARG 29 2HD ARG 29 11.361 1.861 -1.594 201 2HD ARG 29 1HD ARG 29 11.847 2.179 0.082 202 HE ARG 29 HE ARG 29 11.308 -0.637 -0.726 203 1HH1 ARG 29 2HH1 ARG 29 13.956 0.579 -1.692 204 2HH1 ARG 29 1HH1 ARG 29 15.026 0.077 -0.426 205 1HH2 ARG 29 1HH2 ARG 29 12.465 -0.736 1.775 206 2HH2 ARG 29 2HH2 ARG 29 14.180 -0.670 1.541 207 H TRP 30 H TRP 30 5.681 -1.302 -0.892 208 HA TRP 30 HA TRP 30 4.359 0.223 -3.066 209 1HB TRP 30 2HB TRP 30 4.292 -1.650 -4.555 210 2HB TRP 30 1HB TRP 30 5.955 -1.531 -4.001 211 HD1 TRP 30 HD1 TRP 30 4.782 -2.921 -1.057 212 HE1 TRP 30 HE1 TRP 30 4.703 -5.493 -1.047 213 HE3 TRP 30 HE3 TRP 30 4.997 -3.824 -6.076 214 HZ2 TRP 30 HZ2 TRP 30 4.732 -7.653 -2.920 215 HZ3 TRP 30 HZ3 TRP 30 4.972 -6.146 -6.935 216 HH2 TRP 30 HH2 TRP 30 4.840 -8.061 -5.365 217 H CYS 31 H CYS 31 2.190 -1.196 -3.607 218 HA CYS 31 HA CYS 31 0.747 -1.311 -1.048 219 1HB CYS 31 2HB CYS 31 0.101 -1.428 -3.980 220 2HB CYS 31 1HB CYS 31 -1.121 -1.914 -2.807 221 H LYS 32 H LYS 32 0.437 -3.169 0.089 222 HA LYS 32 HA LYS 32 0.865 -5.792 -1.305 223 1HB LYS 32 2HB LYS 32 1.563 -6.580 0.938 224 2HB LYS 32 1HB LYS 32 2.516 -5.185 0.434 225 1HG LYS 32 2HG LYS 32 1.688 -3.868 2.092 226 2HG LYS 32 1HG LYS 32 0.050 -4.489 1.895 227 1HD LYS 32 2HD LYS 32 0.447 -5.503 3.894 228 2HD LYS 32 1HD LYS 32 1.307 -6.688 2.912 229 1HE LYS 32 2HE LYS 32 2.918 -4.308 3.620 230 2HE LYS 32 1HE LYS 32 2.455 -5.327 4.996 231 1HZ LYS 32 1HZ LYS 32 3.236 -7.268 3.802 232 2HZ LYS 32 2HZ LYS 32 4.491 -6.131 3.930 233 3HZ LYS 32 3HZ LYS 32 3.658 -6.317 2.462 234 H TYR 33 H TYR 33 -0.465 -7.612 -0.358 235 HA TYR 33 HA TYR 33 -3.190 -6.627 0.421 236 1HB TYR 33 2HB TYR 33 -2.608 -7.885 -1.811 237 2HB TYR 33 1HB TYR 33 -2.575 -9.318 -0.784 238 HD1 TYR 33 HD1 TYR 33 -4.632 -9.646 0.815 239 HD2 TYR 33 HD2 TYR 33 -4.649 -7.122 -2.663 240 HE1 TYR 33 HE1 TYR 33 -7.109 -9.733 0.762 241 HE2 TYR 33 HE2 TYR 33 -7.125 -7.211 -2.714 242 HH TYR 33 HH TYR 33 -8.989 -7.775 -0.509 243 H GLU 34 H GLU 34 -3.000 -6.747 2.697 244 HA GLU 34 HA GLU 34 -1.764 -8.952 4.104 245 1HB GLU 34 2HB GLU 34 -2.903 -7.898 6.060 246 2HB GLU 34 1HB GLU 34 -2.057 -6.713 5.070 247 1HG GLU 34 2HG GLU 34 -3.978 -5.575 4.799 248 2HG GLU 34 1HG GLU 34 -4.695 -6.981 4.016 249 H ILE 35 H ILE 35 -2.650 -10.899 4.729 250 HA ILE 35 HA ILE 35 -4.164 -12.700 4.797 251 HB ILE 35 HB ILE 35 -6.087 -10.401 5.299 252 1HG1 ILE 35 2HG1 ILE 35 -4.150 -10.249 6.789 253 2HG1 ILE 35 1HG1 ILE 35 -5.549 -10.809 7.702 254 1HG2 ILE 35 1HG2 ILE 35 -7.418 -12.326 5.065 255 2HG2 ILE 35 2HG2 ILE 35 -7.119 -12.265 6.801 256 3HG2 ILE 35 3HG2 ILE 35 -6.196 -13.373 5.786 257 1HD1 ILE 35 1HD1 ILE 35 -4.424 -13.168 6.763 258 2HD1 ILE 35 2HD1 ILE 35 -4.230 -12.515 8.389 259 3HD1 ILE 35 3HD1 ILE 35 -3.019 -12.177 7.153 260 1HN NH2 36 1HN NH2 36 -7.213 -11.910 3.420 261 2HN NH2 36 2HN NH2 36 -6.599 -13.196 2.527
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