NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563378 | 2m4x | 19026 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H GLU 1 3.472 1.492 -2.540 2 HA GLU 1 HA GLU 1 2.204 0.175 -0.242 3 HB2 GLU 1 1HB GLU 1 1.520 0.420 -3.129 4 HB3 GLU 1 2HB GLU 1 1.041 -1.055 -2.300 5 HG2 GLU 1 1HG GLU 1 -0.792 0.437 -2.203 6 HG3 GLU 1 2HG GLU 1 -0.089 0.368 -0.588 7 H CYS 2 H CYS 2 3.337 -1.460 0.561 8 HA CYS 2 HA CYS 2 4.250 -3.575 -1.191 9 HB2 CYS 2 1HB CYS 2 6.543 -3.555 -0.070 10 HB3 CYS 2 2HB CYS 2 6.244 -2.308 -1.276 11 H LEU 3 H LEU 3 4.560 -5.549 -0.129 12 HA LEU 3 HA LEU 3 2.980 -5.988 2.146 13 HB2 LEU 3 1HB LEU 3 4.162 -8.237 2.177 14 HB3 LEU 3 2HB LEU 3 3.268 -7.813 0.719 15 HG LEU 3 HG LEU 3 5.844 -6.948 0.188 16 HD11 LEU 3 1HD1 LEU 3 5.879 -9.245 2.042 17 HD12 LEU 3 2HD1 LEU 3 7.104 -8.016 1.728 18 HD13 LEU 3 3HD1 LEU 3 6.909 -9.369 0.615 19 HD21 LEU 3 3HD2 LEU 3 5.603 -9.507 -0.902 20 HD22 LEU 3 1HD2 LEU 3 5.148 -7.977 -1.653 21 HD23 LEU 3 2HD2 LEU 3 3.951 -8.906 -0.750 22 H GLU 4 H GLU 4 3.591 -4.715 3.870 23 HA GLU 4 HA GLU 4 6.320 -4.894 4.872 24 HB2 GLU 4 1HB GLU 4 3.929 -3.228 5.628 25 HB3 GLU 4 2HB GLU 4 5.366 -3.288 6.638 26 HG2 GLU 4 1HG GLU 4 6.713 -2.482 4.758 27 HG3 GLU 4 2HG GLU 4 5.259 -2.394 3.766 28 H ILE 5 H ILE 5 3.832 -4.471 7.195 29 HA ILE 5 HA ILE 5 4.647 -6.928 8.527 30 HB ILE 5 HB ILE 5 4.492 -4.780 9.786 31 HG12 ILE 5 1HG1 ILE 5 2.754 -5.941 11.532 32 HG13 ILE 5 2HG1 ILE 5 3.175 -7.318 10.519 33 HG21 ILE 5 1HG2 ILE 5 1.547 -5.023 9.949 34 HG22 ILE 5 2HG2 ILE 5 2.576 -3.595 10.043 35 HG23 ILE 5 3HG2 ILE 5 2.215 -4.319 8.476 36 HD11 ILE 5 3HD1 ILE 5 5.322 -7.368 11.245 37 HD12 ILE 5 1HD1 ILE 5 5.387 -5.629 11.530 38 HD13 ILE 5 2HD1 ILE 5 4.555 -6.680 12.676 39 H PHE 6 H PHE 6 3.328 -8.641 8.974 40 HA PHE 6 HA PHE 6 1.650 -10.140 8.630 41 HB2 PHE 6 1HB PHE 6 -0.100 -7.673 8.724 42 HB3 PHE 6 2HB PHE 6 -0.630 -9.333 8.976 43 HD1 PHE 6 HD1 PHE 6 0.819 -10.595 10.860 44 HD2 PHE 6 HD2 PHE 6 0.188 -6.394 10.595 45 HE1 PHE 6 HE1 PHE 6 1.279 -10.377 13.267 46 HE2 PHE 6 HE2 PHE 6 0.647 -6.169 13.001 47 HZ PHE 6 HZ PHE 6 1.194 -8.162 14.341 48 H LYS 7 H LYS 7 2.844 -8.552 6.305 49 HA LYS 7 HA LYS 7 0.696 -8.900 4.338 50 HB2 LYS 7 1HB LYS 7 3.400 -7.586 4.017 51 HB3 LYS 7 2HB LYS 7 2.116 -7.614 2.816 52 HG2 LYS 7 1HG LYS 7 2.267 -6.092 5.382 53 HG3 LYS 7 2HG LYS 7 1.919 -5.509 3.753 54 HD2 LYS 7 1HD LYS 7 0.112 -7.216 5.466 55 HD3 LYS 7 2HD LYS 7 -0.099 -5.500 5.111 56 HE2 LYS 7 1HE LYS 7 0.144 -6.657 2.615 57 HE3 LYS 7 2HE LYS 7 -0.797 -7.837 3.526 58 HZ1 LYS 7 3HZ LYS 7 -2.278 -6.292 2.494 59 HZ2 LYS 7 1HZ LYS 7 -1.445 -4.966 3.136 60 HZ3 LYS 7 2HZ LYS 7 -2.304 -6.003 4.161 61 H ALA 8 H ALA 8 0.694 -10.550 2.951 62 HA ALA 8 HA ALA 8 2.491 -12.697 3.185 63 HB1 ALA 8 1HB ALA 8 1.386 -13.545 1.113 64 HB2 ALA 8 2HB ALA 8 0.270 -13.102 2.405 65 HB3 ALA 8 3HB ALA 8 0.499 -12.023 1.029 66 H CYS 9 H CYS 9 4.185 -13.398 1.919 67 HA CYS 9 HA CYS 9 5.250 -11.428 0.001 68 HB2 CYS 9 1HB CYS 9 7.506 -12.246 0.623 69 HB3 CYS 9 2HB CYS 9 6.650 -11.524 1.981 70 H ASN 10 H ASN 10 5.580 -12.104 -2.018 71 HA ASN 10 HA ASN 10 4.823 -14.729 -2.813 72 HB2 ASN 10 1HB ASN 10 5.295 -12.226 -4.080 73 HB3 ASN 10 2HB ASN 10 6.302 -13.427 -4.883 74 HD21 ASN 10 2HD2 ASN 10 5.295 -13.931 -6.696 75 HD22 ASN 10 1HD2 ASN 10 3.634 -14.387 -6.835 76 HA PRO 11 HA PRO 11 8.629 -16.909 -2.546 77 HB2 PRO 11 1HB PRO 11 8.312 -18.691 -4.570 78 HB3 PRO 11 2HB PRO 11 7.425 -18.801 -3.045 79 HG2 PRO 11 1HG PRO 11 6.531 -17.698 -5.680 80 HG3 PRO 11 2HG PRO 11 5.648 -18.733 -4.543 81 HD2 PRO 11 1HD PRO 11 5.244 -16.059 -4.696 82 HD3 PRO 11 2HD PRO 11 5.083 -16.964 -3.177 83 H SER 12 H SER 12 7.786 -15.053 -5.278 84 HA SER 12 HA SER 12 10.240 -15.579 -6.733 85 HB2 SER 12 1HB SER 12 7.849 -14.954 -7.674 86 HB3 SER 12 2HB SER 12 8.422 -13.306 -7.421 87 HG SER 12 HG SER 12 9.009 -14.979 -9.411 88 H ASN 13 H ASN 13 8.965 -13.245 -4.495 89 HA ASN 13 HA ASN 13 11.408 -11.628 -4.795 90 HB2 ASN 13 1HB ASN 13 9.879 -9.974 -3.385 91 HB3 ASN 13 2HB ASN 13 9.760 -10.066 -5.139 92 HD21 ASN 13 2HD2 ASN 13 7.870 -10.586 -6.029 93 HD22 ASN 13 1HD2 ASN 13 6.472 -11.108 -5.157 94 H ASP 14 H ASP 14 9.030 -12.393 -2.245 95 HA ASP 14 HA ASP 14 9.276 -12.957 -0.055 96 HB2 ASP 14 1HB ASP 14 12.080 -13.791 -0.821 97 HB3 ASP 14 2HB ASP 14 11.166 -14.322 0.588 98 H GLN 15 H GLN 15 11.464 -10.811 -1.570 99 HA GLN 15 HA GLN 15 12.830 -9.892 0.753 100 HB2 GLN 15 1HB GLN 15 12.560 -8.993 -2.070 101 HB3 GLN 15 2HB GLN 15 13.098 -7.806 -0.889 102 HG2 GLN 15 1HG GLN 15 14.944 -9.261 -0.252 103 HG3 GLN 15 2HG GLN 15 14.401 -10.467 -1.417 104 HE21 GLN 15 2HE2 GLN 15 15.366 -10.434 -3.309 105 HE22 GLN 15 1HE2 GLN 15 16.171 -9.081 -4.021 106 H CYS 16 H CYS 16 11.432 -9.325 2.371 107 HA CYS 16 HA CYS 16 9.063 -7.864 2.076 108 HB2 CYS 16 1HB CYS 16 10.202 -9.150 4.140 109 HB3 CYS 16 2HB CYS 16 10.624 -7.498 4.576 110 H CYS 17 H CYS 17 8.565 -5.683 2.433 111 HA CYS 17 HA CYS 17 10.157 -3.793 1.226 112 HB2 CYS 17 1HB CYS 17 7.645 -3.771 2.187 113 HB3 CYS 17 2HB CYS 17 8.437 -2.822 3.441 114 H LYS 18 H LYS 18 11.473 -2.097 1.977 115 HA LYS 18 HA LYS 18 13.121 -2.817 4.227 116 HB2 LYS 18 1HB LYS 18 13.209 -0.647 2.153 117 HB3 LYS 18 2HB LYS 18 14.260 -0.578 3.561 118 HG2 LYS 18 1HG LYS 18 15.635 -1.636 2.088 119 HG3 LYS 18 2HG LYS 18 14.850 -3.035 2.826 120 HD2 LYS 18 1HD LYS 18 14.590 -3.571 0.621 121 HD3 LYS 18 2HD LYS 18 13.112 -2.638 0.871 122 HE2 LYS 18 1HE LYS 18 15.631 -1.295 -0.035 123 HE3 LYS 18 2HE LYS 18 14.599 -2.135 -1.192 124 HZ1 LYS 18 3HZ LYS 18 12.750 -0.709 -0.107 125 HZ2 LYS 18 1HZ LYS 18 13.772 -0.009 -1.258 126 HZ3 LYS 18 2HZ LYS 18 14.031 0.279 0.388 127 H SER 19 H SER 19 10.235 -1.284 4.019 128 HA SER 19 HA SER 19 10.511 1.016 5.590 129 HB2 SER 19 1HB SER 19 8.102 -0.809 5.587 130 HB3 SER 19 2HB SER 19 8.136 0.927 5.896 131 HG SER 19 HG SER 19 8.677 1.263 3.741 132 H SER 20 H SER 20 10.655 -2.312 6.427 133 HA SER 20 HA SER 20 11.344 -1.688 9.138 134 HB2 SER 20 1HB SER 20 8.650 -1.994 8.737 135 HB3 SER 20 2HB SER 20 9.138 -3.634 9.165 136 HG SER 20 HG SER 20 9.946 -1.391 10.682 137 H LYS 21 H LYS 21 12.319 -3.427 10.224 138 HA LYS 21 HA LYS 21 13.493 -5.385 8.494 139 HB2 LYS 21 1HB LYS 21 13.699 -4.820 11.445 140 HB3 LYS 21 2HB LYS 21 14.492 -6.208 10.712 141 HG2 LYS 21 1HG LYS 21 15.621 -4.588 9.146 142 HG3 LYS 21 2HG LYS 21 14.994 -3.295 10.172 143 HD2 LYS 21 1HD LYS 21 16.252 -4.025 12.030 144 HD3 LYS 21 2HD LYS 21 16.618 -5.576 11.271 145 HE2 LYS 21 1HE LYS 21 18.038 -4.501 9.651 146 HE3 LYS 21 2HE LYS 21 17.573 -2.907 10.243 147 HZ1 LYS 21 3HZ LYS 21 18.773 -4.804 12.128 148 HZ2 LYS 21 1HZ LYS 21 18.863 -3.115 12.095 149 HZ3 LYS 21 2HZ LYS 21 19.785 -4.032 11.014 150 H LEU 22 H LEU 22 11.566 -6.497 7.801 151 HA LEU 22 HA LEU 22 10.520 -8.369 9.821 152 HB2 LEU 22 1HB LEU 22 9.202 -7.352 7.308 153 HB3 LEU 22 2HB LEU 22 8.521 -8.563 8.391 154 HG LEU 22 HG LEU 22 9.089 -5.693 9.130 155 HD11 LEU 22 1HD1 LEU 22 7.286 -5.581 7.659 156 HD12 LEU 22 2HD1 LEU 22 6.527 -5.673 9.247 157 HD13 LEU 22 3HD1 LEU 22 6.606 -7.107 8.224 158 HD21 LEU 22 3HD2 LEU 22 8.799 -6.314 11.239 159 HD22 LEU 22 1HD2 LEU 22 8.691 -7.997 10.723 160 HD23 LEU 22 2HD2 LEU 22 7.231 -7.014 10.835 161 H VAL 23 H VAL 23 10.221 -10.545 9.224 162 HA VAL 23 HA VAL 23 11.541 -11.373 6.727 163 HB VAL 23 HB VAL 23 12.397 -13.384 8.026 164 HG11 VAL 23 1HG1 VAL 23 13.414 -10.601 8.190 165 HG12 VAL 23 2HG1 VAL 23 14.218 -11.829 9.170 166 HG13 VAL 23 3HG1 VAL 23 14.119 -12.022 7.420 167 HG21 VAL 23 3HG2 VAL 23 12.733 -13.038 10.445 168 HG22 VAL 23 1HG2 VAL 23 11.745 -11.580 10.354 169 HG23 VAL 23 2HG2 VAL 23 11.028 -13.154 10.011 170 H CYS 24 H CYS 24 10.803 -13.315 5.808 171 HA CYS 24 HA CYS 24 8.508 -14.628 7.041 172 HB2 CYS 24 1HB CYS 24 7.063 -14.345 5.159 173 HB3 CYS 24 2HB CYS 24 7.656 -12.746 5.596 174 H SER 25 H SER 25 11.357 -15.214 6.223 175 HA SER 25 HA SER 25 11.403 -16.946 4.020 176 HB2 SER 25 1HB SER 25 13.390 -17.986 5.408 177 HB3 SER 25 2HB SER 25 13.529 -16.365 4.727 178 HG SER 25 HG SER 25 14.108 -16.655 7.027 179 H ARG 26 H ARG 26 11.777 -18.085 7.364 180 HA ARG 26 HA ARG 26 10.339 -20.525 6.628 181 HB2 ARG 26 1HB ARG 26 11.383 -21.575 8.481 182 HB3 ARG 26 2HB ARG 26 12.627 -20.601 7.709 183 HG2 ARG 26 1HG ARG 26 11.788 -18.818 9.490 184 HG3 ARG 26 2HG ARG 26 11.339 -20.290 10.354 185 HD2 ARG 26 1HD ARG 26 13.961 -20.595 9.252 186 HD3 ARG 26 2HD ARG 26 13.883 -19.087 10.162 187 HE ARG 26 HE ARG 26 13.676 -20.299 12.102 188 HH11 ARG 26 1HH1 ARG 26 13.203 -22.394 9.362 189 HH12 ARG 26 2HH1 ARG 26 13.227 -23.848 10.305 190 HH21 ARG 26 1HH2 ARG 26 13.710 -22.205 13.354 191 HH22 ARG 26 2HH2 ARG 26 13.514 -23.739 12.575 192 H LYS 27 H LYS 27 9.984 -17.645 8.452 193 HA LYS 27 HA LYS 27 8.164 -18.494 10.421 194 HB2 LYS 27 1HB LYS 27 9.399 -16.134 9.818 195 HB3 LYS 27 2HB LYS 27 7.742 -15.786 9.344 196 HG2 LYS 27 1HG LYS 27 7.523 -15.189 11.493 197 HG3 LYS 27 2HG LYS 27 7.328 -16.924 11.755 198 HD2 LYS 27 1HD LYS 27 9.445 -17.168 12.618 199 HD3 LYS 27 2HD LYS 27 10.077 -15.770 11.746 200 HE2 LYS 27 1HE LYS 27 8.914 -14.267 13.238 201 HE3 LYS 27 2HE LYS 27 8.140 -15.625 14.053 202 HZ1 LYS 27 3HZ LYS 27 9.977 -14.873 15.361 203 HZ2 LYS 27 1HZ LYS 27 11.037 -14.977 14.045 204 HZ3 LYS 27 2HZ LYS 27 10.379 -16.384 14.715 205 H THR 28 H THR 28 5.929 -16.880 10.140 206 HA THR 28 HA THR 28 4.195 -18.515 8.675 207 HB THR 28 HB THR 28 2.647 -16.392 8.866 208 HG1 THR 28 HG1 THR 28 4.378 -15.748 10.982 209 HG21 THR 28 3HG2 THR 28 1.926 -17.997 10.287 210 HG22 THR 28 1HG2 THR 28 2.686 -16.977 11.507 211 HG23 THR 28 2HG2 THR 28 3.552 -18.370 10.858 212 H ARG 29 H ARG 29 2.730 -17.741 6.905 213 HA ARG 29 HA ARG 29 4.201 -17.141 4.603 214 HB2 ARG 29 1HB ARG 29 1.298 -17.290 5.269 215 HB3 ARG 29 2HB ARG 29 1.761 -16.544 3.746 216 HG2 ARG 29 1HG ARG 29 3.062 -18.629 3.235 217 HG3 ARG 29 2HG ARG 29 2.309 -19.355 4.657 218 HD2 ARG 29 1HD ARG 29 0.382 -18.068 2.901 219 HD3 ARG 29 2HD ARG 29 1.292 -19.340 2.088 220 HE ARG 29 HE ARG 29 0.271 -20.909 3.438 221 HH11 ARG 29 1HH1 ARG 29 -0.458 -17.697 4.566 222 HH12 ARG 29 2HH1 ARG 29 -1.694 -18.221 5.661 223 HH21 ARG 29 1HH2 ARG 29 -1.353 -21.611 4.876 224 HH22 ARG 29 2HH2 ARG 29 -2.201 -20.448 5.838 225 H TRP 30 H TRP 30 2.900 -15.089 7.015 226 HA TRP 30 HA TRP 30 3.139 -12.735 5.275 227 HB2 TRP 30 1HB TRP 30 1.918 -11.530 7.042 228 HB3 TRP 30 2HB TRP 30 1.017 -12.932 6.471 229 HD1 TRP 30 HD1 TRP 30 2.914 -11.636 9.534 230 HE1 TRP 30 HE1 TRP 30 2.280 -13.083 11.566 231 HE3 TRP 30 HE3 TRP 30 0.197 -15.245 7.142 232 HZ2 TRP 30 HZ2 TRP 30 0.821 -15.443 12.085 233 HZ3 TRP 30 HZ3 TRP 30 -0.783 -17.064 8.479 234 HH2 TRP 30 HH2 TRP 30 -0.476 -17.159 10.899 235 H CYS 31 H CYS 31 4.470 -11.012 5.807 236 HA CYS 31 HA CYS 31 6.907 -11.609 7.047 237 HB2 CYS 31 1HB CYS 31 5.601 -9.156 5.997 238 HB3 CYS 31 2HB CYS 31 6.949 -8.925 7.106 239 H LYS 32 H LYS 32 7.588 -11.543 9.092 240 HA LYS 32 HA LYS 32 5.968 -10.097 11.075 241 HB2 LYS 32 1HB LYS 32 6.753 -12.966 11.044 242 HB3 LYS 32 2HB LYS 32 6.801 -12.133 12.593 243 HG2 LYS 32 1HG LYS 32 4.372 -11.367 11.699 244 HG3 LYS 32 2HG LYS 32 4.505 -12.964 10.959 245 HD2 LYS 32 1HD LYS 32 3.481 -13.293 13.068 246 HD3 LYS 32 2HD LYS 32 5.154 -13.829 13.244 247 HE2 LYS 32 1HE LYS 32 4.723 -12.560 15.169 248 HE3 LYS 32 2HE LYS 32 5.639 -11.485 14.115 249 HZ1 LYS 32 3HZ LYS 32 2.680 -11.482 14.358 250 HZ2 LYS 32 1HZ LYS 32 3.619 -10.392 13.467 251 HZ3 LYS 32 2HZ LYS 32 3.711 -10.403 15.156 252 H TYR 33 H TYR 33 7.099 -9.313 12.890 253 HA TYR 33 HA TYR 33 9.771 -8.506 12.354 254 HB2 TYR 33 1HB TYR 33 9.642 -7.604 14.730 255 HB3 TYR 33 2HB TYR 33 8.437 -6.994 13.601 256 HD1 TYR 33 HD1 TYR 33 8.866 -9.747 16.094 257 HD2 TYR 33 HD2 TYR 33 6.237 -6.926 14.296 258 HE1 TYR 33 HE1 TYR 33 7.080 -10.437 17.638 259 HE2 TYR 33 HE2 TYR 33 4.444 -7.607 15.836 260 HH TYR 33 HH TYR 33 4.641 -10.404 17.763 261 H GLN 34 H GLN 34 11.676 -9.014 13.489 262 HA GLN 34 HA GLN 34 11.782 -11.771 14.386 263 HB2 GLN 34 1HB GLN 34 13.957 -9.722 13.935 264 HB3 GLN 34 2HB GLN 34 14.246 -11.389 14.416 265 HG2 GLN 34 1HG GLN 34 13.545 -12.233 12.363 266 HG3 GLN 34 2HG GLN 34 12.708 -10.742 11.932 267 HE21 GLN 34 2HE2 GLN 34 14.153 -8.806 11.719 268 HE22 GLN 34 1HE2 GLN 34 15.675 -9.044 10.937 269 H ILE 35 H ILE 35 11.915 -12.421 16.437 270 HA ILE 35 HA ILE 35 12.158 -10.360 18.516 271 HB ILE 35 HB ILE 35 11.075 -13.172 18.726 272 HG12 ILE 35 1HG1 ILE 35 9.597 -11.731 17.434 273 HG13 ILE 35 2HG1 ILE 35 8.892 -12.041 19.018 274 HG21 ILE 35 1HG2 ILE 35 11.404 -12.950 20.913 275 HG22 ILE 35 2HG2 ILE 35 11.937 -11.281 20.720 276 HG23 ILE 35 3HG2 ILE 35 10.220 -11.643 20.895 277 HD11 ILE 35 3HD1 ILE 35 10.208 -9.761 19.536 278 HD12 ILE 35 1HD1 ILE 35 9.848 -9.530 17.826 279 HD13 ILE 35 2HD1 ILE 35 8.539 -9.825 18.970 Start of MODEL 2 1 H1 GLU 1 H GLU 1 2.092 0.225 0.980 2 HA GLU 1 HA GLU 1 1.791 0.451 -1.941 3 HB2 GLU 1 1HB GLU 1 4.021 1.385 -0.129 4 HB3 GLU 1 2HB GLU 1 4.110 1.408 -1.885 5 HG2 GLU 1 1HG GLU 1 2.140 2.919 -0.185 6 HG3 GLU 1 2HG GLU 1 3.538 3.595 -1.019 7 H CYS 2 H CYS 2 3.533 -1.159 0.663 8 HA CYS 2 HA CYS 2 4.135 -3.362 -1.158 9 HB2 CYS 2 1HB CYS 2 6.467 -3.478 -0.099 10 HB3 CYS 2 2HB CYS 2 6.194 -2.227 -1.307 11 H LEU 3 H LEU 3 4.495 -5.368 -0.111 12 HA LEU 3 HA LEU 3 2.927 -5.802 2.178 13 HB2 LEU 3 1HB LEU 3 4.061 -8.070 2.175 14 HB3 LEU 3 2HB LEU 3 3.174 -7.614 0.721 15 HG LEU 3 HG LEU 3 5.779 -6.797 0.215 16 HD11 LEU 3 1HD1 LEU 3 6.257 -9.585 0.865 17 HD12 LEU 3 2HD1 LEU 3 5.981 -8.594 2.296 18 HD13 LEU 3 3HD1 LEU 3 7.259 -8.165 1.160 19 HD21 LEU 3 3HD2 LEU 3 5.508 -9.281 -0.976 20 HD22 LEU 3 1HD2 LEU 3 4.996 -7.732 -1.647 21 HD23 LEU 3 2HD2 LEU 3 3.847 -8.729 -0.754 22 H GLU 4 H GLU 4 3.576 -4.558 3.907 23 HA GLU 4 HA GLU 4 6.315 -4.781 4.870 24 HB2 GLU 4 1HB GLU 4 3.956 -3.104 5.705 25 HB3 GLU 4 2HB GLU 4 5.435 -3.172 6.654 26 HG2 GLU 4 1HG GLU 4 6.708 -2.204 4.917 27 HG3 GLU 4 2HG GLU 4 5.405 -2.413 3.749 28 H ILE 5 H ILE 5 3.860 -4.353 7.228 29 HA ILE 5 HA ILE 5 4.664 -6.831 8.527 30 HB ILE 5 HB ILE 5 4.536 -4.681 9.799 31 HG12 ILE 5 1HG1 ILE 5 2.853 -5.853 11.579 32 HG13 ILE 5 2HG1 ILE 5 3.229 -7.225 10.542 33 HG21 ILE 5 1HG2 ILE 5 1.652 -4.843 10.190 34 HG22 ILE 5 2HG2 ILE 5 2.684 -3.438 9.923 35 HG23 ILE 5 3HG2 ILE 5 2.111 -4.385 8.550 36 HD11 ILE 5 3HD1 ILE 5 5.409 -7.286 11.182 37 HD12 ILE 5 1HD1 ILE 5 5.477 -5.556 11.519 38 HD13 ILE 5 2HD1 ILE 5 4.681 -6.646 12.655 39 H PHE 6 H PHE 6 3.329 -8.532 8.980 40 HA PHE 6 HA PHE 6 1.632 -10.010 8.645 41 HB2 PHE 6 1HB PHE 6 -0.080 -7.519 8.770 42 HB3 PHE 6 2HB PHE 6 -0.641 -9.172 8.998 43 HD1 PHE 6 HD1 PHE 6 0.697 -10.497 10.878 44 HD2 PHE 6 HD2 PHE 6 0.327 -6.263 10.640 45 HE1 PHE 6 HE1 PHE 6 1.166 -10.324 13.288 46 HE2 PHE 6 HE2 PHE 6 0.797 -6.083 13.049 47 HZ PHE 6 HZ PHE 6 1.218 -8.115 14.375 48 H LYS 7 H LYS 7 2.817 -8.399 6.318 49 HA LYS 7 HA LYS 7 0.654 -8.738 4.366 50 HB2 LYS 7 1HB LYS 7 3.356 -7.431 4.004 51 HB3 LYS 7 2HB LYS 7 2.030 -7.421 2.849 52 HG2 LYS 7 1HG LYS 7 2.322 -5.924 5.410 53 HG3 LYS 7 2HG LYS 7 1.843 -5.343 3.813 54 HD2 LYS 7 1HD LYS 7 -0.266 -6.695 4.076 55 HD3 LYS 7 2HD LYS 7 0.207 -6.965 5.756 56 HE2 LYS 7 1HE LYS 7 0.320 -4.473 6.021 57 HE3 LYS 7 2HE LYS 7 -0.389 -4.333 4.412 58 HZ1 LYS 7 3HZ LYS 7 -1.628 -5.101 6.922 59 HZ2 LYS 7 1HZ LYS 7 -2.108 -6.000 5.571 60 HZ3 LYS 7 2HZ LYS 7 -2.295 -4.319 5.577 61 H ALA 8 H ALA 8 0.657 -10.355 2.935 62 HA ALA 8 HA ALA 8 2.456 -12.509 3.148 63 HB1 ALA 8 1HB ALA 8 1.240 -13.532 1.411 64 HB2 ALA 8 2HB ALA 8 0.067 -12.554 2.295 65 HB3 ALA 8 3HB ALA 8 0.714 -11.981 0.757 66 H CYS 9 H CYS 9 4.213 -13.122 1.972 67 HA CYS 9 HA CYS 9 5.266 -11.132 0.073 68 HB2 CYS 9 1HB CYS 9 7.501 -11.986 0.642 69 HB3 CYS 9 2HB CYS 9 6.653 -11.403 2.070 70 H ASN 10 H ASN 10 6.219 -11.825 -1.856 71 HA ASN 10 HA ASN 10 5.023 -14.120 -3.035 72 HB2 ASN 10 1HB ASN 10 6.426 -11.805 -3.929 73 HB3 ASN 10 2HB ASN 10 7.220 -13.220 -4.615 74 HD21 ASN 10 2HD2 ASN 10 6.516 -13.600 -6.577 75 HD22 ASN 10 1HD2 ASN 10 4.882 -13.461 -7.122 76 HA PRO 11 HA PRO 11 7.967 -17.259 -2.150 77 HB2 PRO 11 1HB PRO 11 7.690 -18.823 -4.352 78 HB3 PRO 11 2HB PRO 11 6.470 -18.737 -3.076 79 HG2 PRO 11 1HG PRO 11 6.539 -17.349 -5.727 80 HG3 PRO 11 2HG PRO 11 5.177 -18.140 -4.914 81 HD2 PRO 11 1HD PRO 11 5.520 -15.455 -4.899 82 HD3 PRO 11 2HD PRO 11 4.779 -16.330 -3.544 83 H SER 12 H SER 12 8.167 -15.498 -5.166 84 HA SER 12 HA SER 12 10.882 -16.435 -5.665 85 HB2 SER 12 1HB SER 12 8.916 -15.893 -7.408 86 HB3 SER 12 2HB SER 12 9.673 -14.302 -7.348 87 HG SER 12 HG SER 12 10.716 -15.433 -8.929 88 H ASN 13 H ASN 13 9.163 -13.612 -4.542 89 HA ASN 13 HA ASN 13 11.527 -11.936 -4.605 90 HB2 ASN 13 1HB ASN 13 8.656 -11.532 -3.849 91 HB3 ASN 13 2HB ASN 13 9.866 -10.380 -3.293 92 HD21 ASN 13 2HD2 ASN 13 11.302 -9.495 -5.009 93 HD22 ASN 13 1HD2 ASN 13 10.586 -9.135 -6.539 94 H ASP 14 H ASP 14 9.243 -12.716 -1.979 95 HA ASP 14 HA ASP 14 9.554 -13.136 0.235 96 HB2 ASP 14 1HB ASP 14 12.396 -13.884 -0.458 97 HB3 ASP 14 2HB ASP 14 11.434 -14.447 0.907 98 H GLN 15 H GLN 15 11.629 -11.008 -1.454 99 HA GLN 15 HA GLN 15 12.996 -9.900 0.788 100 HB2 GLN 15 1HB GLN 15 12.626 -9.125 -2.074 101 HB3 GLN 15 2HB GLN 15 13.250 -7.930 -0.945 102 HG2 GLN 15 1HG GLN 15 14.888 -9.901 -0.314 103 HG3 GLN 15 2HG GLN 15 14.495 -10.427 -1.950 104 HE21 GLN 15 2HE2 GLN 15 16.074 -8.046 -0.004 105 HE22 GLN 15 1HE2 GLN 15 16.894 -7.233 -1.290 106 H CYS 16 H CYS 16 11.534 -9.329 2.370 107 HA CYS 16 HA CYS 16 9.148 -7.916 1.975 108 HB2 CYS 16 1HB CYS 16 10.246 -9.122 4.102 109 HB3 CYS 16 2HB CYS 16 10.658 -7.456 4.494 110 H CYS 17 H CYS 17 8.613 -5.733 2.241 111 HA CYS 17 HA CYS 17 10.207 -3.861 1.010 112 HB2 CYS 17 1HB CYS 17 7.682 -3.816 1.831 113 HB3 CYS 17 2HB CYS 17 8.382 -2.916 3.173 114 H LYS 18 H LYS 18 11.495 -2.134 1.727 115 HA LYS 18 HA LYS 18 13.075 -2.749 4.062 116 HB2 LYS 18 1HB LYS 18 13.255 -0.751 1.837 117 HB3 LYS 18 2HB LYS 18 14.214 -0.517 3.293 118 HG2 LYS 18 1HG LYS 18 14.280 -3.100 1.776 119 HG3 LYS 18 2HG LYS 18 15.295 -1.729 1.323 120 HD2 LYS 18 1HD LYS 18 16.181 -1.700 3.651 121 HD3 LYS 18 2HD LYS 18 15.265 -3.175 3.971 122 HE2 LYS 18 1HE LYS 18 16.494 -4.254 2.086 123 HE3 LYS 18 2HE LYS 18 17.489 -2.804 1.968 124 HZ1 LYS 18 3HZ LYS 18 18.536 -4.564 3.287 125 HZ2 LYS 18 1HZ LYS 18 17.255 -4.507 4.389 126 HZ3 LYS 18 2HZ LYS 18 18.269 -3.167 4.202 127 H SER 19 H SER 19 10.202 -1.251 3.703 128 HA SER 19 HA SER 19 10.431 1.150 5.125 129 HB2 SER 19 1HB SER 19 8.100 -0.769 4.913 130 HB3 SER 19 2HB SER 19 7.992 0.856 5.591 131 HG SER 19 HG SER 19 7.438 1.080 3.487 132 H SER 20 H SER 20 10.490 -2.135 6.181 133 HA SER 20 HA SER 20 11.205 -1.362 8.841 134 HB2 SER 20 1HB SER 20 8.469 -2.462 8.289 135 HB3 SER 20 2HB SER 20 9.280 -2.854 9.805 136 HG SER 20 HG SER 20 7.933 -0.940 9.864 137 H LYS 21 H LYS 21 12.096 -3.065 10.042 138 HA LYS 21 HA LYS 21 13.207 -5.172 8.486 139 HB2 LYS 21 1HB LYS 21 13.241 -4.568 11.441 140 HB3 LYS 21 2HB LYS 21 14.060 -5.963 10.750 141 HG2 LYS 21 1HG LYS 21 15.752 -4.406 10.875 142 HG3 LYS 21 2HG LYS 21 15.200 -4.224 9.208 143 HD2 LYS 21 1HD LYS 21 14.167 -2.201 9.631 144 HD3 LYS 21 2HD LYS 21 13.989 -2.535 11.355 145 HE2 LYS 21 1HE LYS 21 16.630 -2.044 9.986 146 HE3 LYS 21 2HE LYS 21 15.695 -0.795 10.806 147 HZ1 LYS 21 3HZ LYS 21 15.941 -2.943 12.560 148 HZ2 LYS 21 1HZ LYS 21 16.641 -1.408 12.693 149 HZ3 LYS 21 2HZ LYS 21 17.480 -2.656 11.920 150 H LEU 22 H LEU 22 11.918 -6.756 7.767 151 HA LEU 22 HA LEU 22 10.484 -8.351 9.749 152 HB2 LEU 22 1HB LEU 22 9.226 -7.342 7.202 153 HB3 LEU 22 2HB LEU 22 8.500 -8.499 8.315 154 HG LEU 22 HG LEU 22 9.255 -5.781 9.301 155 HD11 LEU 22 1HD1 LEU 22 7.633 -4.691 8.226 156 HD12 LEU 22 2HD1 LEU 22 6.491 -6.021 8.414 157 HD13 LEU 22 3HD1 LEU 22 7.653 -6.038 7.088 158 HD21 LEU 22 3HD2 LEU 22 7.462 -6.171 10.851 159 HD22 LEU 22 1HD2 LEU 22 8.519 -7.583 10.841 160 HD23 LEU 22 2HD2 LEU 22 6.975 -7.631 9.988 161 H VAL 23 H VAL 23 10.167 -10.521 9.151 162 HA VAL 23 HA VAL 23 11.514 -11.372 6.676 163 HB VAL 23 HB VAL 23 12.312 -13.397 7.989 164 HG11 VAL 23 1HG1 VAL 23 13.373 -10.631 8.177 165 HG12 VAL 23 2HG1 VAL 23 14.140 -11.875 9.166 166 HG13 VAL 23 3HG1 VAL 23 14.066 -12.062 7.413 167 HG21 VAL 23 3HG2 VAL 23 11.903 -11.604 10.374 168 HG22 VAL 23 1HG2 VAL 23 10.797 -12.908 9.942 169 HG23 VAL 23 2HG2 VAL 23 12.472 -13.274 10.355 170 H CYS 24 H CYS 24 10.755 -13.296 5.740 171 HA CYS 24 HA CYS 24 8.428 -14.584 6.935 172 HB2 CYS 24 1HB CYS 24 7.005 -14.264 5.038 173 HB3 CYS 24 2HB CYS 24 7.605 -12.678 5.512 174 H SER 25 H SER 25 11.308 -15.118 6.004 175 HA SER 25 HA SER 25 11.281 -16.876 3.828 176 HB2 SER 25 1HB SER 25 13.115 -16.297 6.076 177 HB3 SER 25 2HB SER 25 13.299 -17.886 5.332 178 HG SER 25 HG SER 25 13.457 -16.770 3.298 179 H ARG 26 H ARG 26 11.803 -17.981 7.164 180 HA ARG 26 HA ARG 26 10.391 -20.455 6.505 181 HB2 ARG 26 1HB ARG 26 11.424 -21.378 8.503 182 HB3 ARG 26 2HB ARG 26 12.645 -20.620 7.490 183 HG2 ARG 26 1HG ARG 26 12.120 -18.549 9.060 184 HG3 ARG 26 2HG ARG 26 11.643 -19.841 10.165 185 HD2 ARG 26 1HD ARG 26 13.764 -20.593 10.414 186 HD3 ARG 26 2HD ARG 26 14.208 -20.211 8.751 187 HE ARG 26 HE ARG 26 14.514 -18.525 11.060 188 HH11 ARG 26 1HH1 ARG 26 14.204 -18.611 7.593 189 HH12 ARG 26 2HH1 ARG 26 14.991 -17.086 7.355 190 HH21 ARG 26 1HH2 ARG 26 15.551 -16.516 10.759 191 HH22 ARG 26 2HH2 ARG 26 15.757 -15.895 9.156 192 H LYS 27 H LYS 27 9.992 -17.548 8.267 193 HA LYS 27 HA LYS 27 8.203 -18.436 10.268 194 HB2 LYS 27 1HB LYS 27 8.274 -15.696 8.999 195 HB3 LYS 27 2HB LYS 27 7.666 -16.113 10.596 196 HG2 LYS 27 1HG LYS 27 10.537 -16.500 9.802 197 HG3 LYS 27 2HG LYS 27 9.928 -15.002 10.511 198 HD2 LYS 27 1HD LYS 27 9.467 -17.655 11.837 199 HD3 LYS 27 2HD LYS 27 10.969 -16.759 12.077 200 HE2 LYS 27 1HE LYS 27 9.771 -15.913 13.816 201 HE3 LYS 27 2HE LYS 27 9.263 -14.784 12.561 202 HZ1 LYS 27 3HZ LYS 27 7.562 -16.115 14.098 203 HZ2 LYS 27 1HZ LYS 27 7.684 -17.210 12.814 204 HZ3 LYS 27 2HZ LYS 27 7.187 -15.620 12.524 205 H THR 28 H THR 28 5.971 -16.821 10.034 206 HA THR 28 HA THR 28 4.229 -18.418 8.537 207 HB THR 28 HB THR 28 2.672 -16.320 8.793 208 HG1 THR 28 HG1 THR 28 4.456 -15.684 10.874 209 HG21 THR 28 3HG2 THR 28 1.978 -17.924 10.219 210 HG22 THR 28 1HG2 THR 28 2.786 -16.936 11.435 211 HG23 THR 28 2HG2 THR 28 3.617 -18.322 10.730 212 H ARG 29 H ARG 29 2.765 -17.617 6.787 213 HA ARG 29 HA ARG 29 4.228 -16.947 4.499 214 HB2 ARG 29 1HB ARG 29 1.325 -17.134 5.163 215 HB3 ARG 29 2HB ARG 29 1.785 -16.355 3.655 216 HG2 ARG 29 1HG ARG 29 3.045 -18.395 3.038 217 HG3 ARG 29 2HG ARG 29 2.441 -19.167 4.505 218 HD2 ARG 29 1HD ARG 29 0.128 -18.759 3.699 219 HD3 ARG 29 2HD ARG 29 0.803 -18.134 2.195 220 HE ARG 29 HE ARG 29 0.539 -20.882 2.957 221 HH11 ARG 29 1HH1 ARG 29 2.388 -18.634 1.046 222 HH12 ARG 29 2HH1 ARG 29 2.920 -19.833 -0.086 223 HH21 ARG 29 1HH2 ARG 29 1.233 -22.469 1.473 224 HH22 ARG 29 2HH2 ARG 29 2.262 -22.014 0.157 225 H TRP 30 H TRP 30 2.910 -14.968 6.962 226 HA TRP 30 HA TRP 30 3.107 -12.569 5.280 227 HB2 TRP 30 1HB TRP 30 1.902 -11.420 7.091 228 HB3 TRP 30 2HB TRP 30 1.010 -12.827 6.517 229 HD1 TRP 30 HD1 TRP 30 3.011 -11.587 9.548 230 HE1 TRP 30 HE1 TRP 30 2.423 -13.064 11.572 231 HE3 TRP 30 HE3 TRP 30 0.164 -15.114 7.182 232 HZ2 TRP 30 HZ2 TRP 30 0.949 -15.413 12.097 233 HZ3 TRP 30 HZ3 TRP 30 -0.798 -16.943 8.517 234 HH2 TRP 30 HH2 TRP 30 -0.412 -17.088 10.924 235 H CYS 31 H CYS 31 4.475 -10.886 5.776 236 HA CYS 31 HA CYS 31 6.915 -11.492 7.006 237 HB2 CYS 31 1HB CYS 31 5.624 -9.046 5.930 238 HB3 CYS 31 2HB CYS 31 6.965 -8.801 7.045 239 H LYS 32 H LYS 32 7.610 -11.411 9.046 240 HA LYS 32 HA LYS 32 6.095 -9.859 11.018 241 HB2 LYS 32 1HB LYS 32 6.470 -12.793 10.957 242 HB3 LYS 32 2HB LYS 32 6.740 -12.021 12.514 243 HG2 LYS 32 1HG LYS 32 4.281 -11.267 11.055 244 HG3 LYS 32 2HG LYS 32 4.354 -12.897 11.728 245 HD2 LYS 32 1HD LYS 32 5.276 -11.457 13.821 246 HD3 LYS 32 2HD LYS 32 4.178 -10.287 13.087 247 HE2 LYS 32 1HE LYS 32 3.023 -11.617 14.765 248 HE3 LYS 32 2HE LYS 32 2.374 -11.940 13.158 249 HZ1 LYS 32 3HZ LYS 32 4.482 -13.730 13.716 250 HZ2 LYS 32 1HZ LYS 32 2.857 -14.073 13.394 251 HZ3 LYS 32 2HZ LYS 32 3.361 -13.779 14.982 252 H TYR 33 H TYR 33 7.290 -9.206 12.844 253 HA TYR 33 HA TYR 33 10.041 -8.709 12.334 254 HB2 TYR 33 1HB TYR 33 9.987 -7.803 14.717 255 HB3 TYR 33 2HB TYR 33 8.892 -7.048 13.565 256 HD1 TYR 33 HD1 TYR 33 8.920 -9.838 16.055 257 HD2 TYR 33 HD2 TYR 33 6.704 -6.705 14.217 258 HE1 TYR 33 HE1 TYR 33 7.030 -10.300 17.559 259 HE2 TYR 33 HE2 TYR 33 4.809 -7.158 15.717 260 HH TYR 33 HH TYR 33 4.506 -8.210 18.037 261 H GLN 34 H GLN 34 11.864 -9.428 13.489 262 HA GLN 34 HA GLN 34 11.875 -12.188 14.100 263 HB2 GLN 34 1HB GLN 34 13.864 -9.971 14.242 264 HB3 GLN 34 2HB GLN 34 14.219 -11.460 15.107 265 HG2 GLN 34 1HG GLN 34 13.378 -11.616 12.258 266 HG3 GLN 34 2HG GLN 34 15.020 -11.104 12.644 267 HE21 GLN 34 2HE2 GLN 34 12.797 -13.719 12.522 268 HE22 GLN 34 1HE2 GLN 34 13.904 -14.971 12.959 269 H ILE 35 H ILE 35 12.991 -12.939 16.226 270 HA ILE 35 HA ILE 35 11.994 -11.463 18.546 271 HB ILE 35 HB ILE 35 11.412 -14.398 18.149 272 HG12 ILE 35 1HG1 ILE 35 9.521 -12.038 18.035 273 HG13 ILE 35 2HG1 ILE 35 10.061 -12.974 16.646 274 HG21 ILE 35 1HG2 ILE 35 11.665 -12.976 20.481 275 HG22 ILE 35 2HG2 ILE 35 9.929 -12.920 20.177 276 HG23 ILE 35 3HG2 ILE 35 10.756 -14.474 20.285 277 HD11 ILE 35 3HD1 ILE 35 8.305 -13.869 18.909 278 HD12 ILE 35 1HD1 ILE 35 7.906 -13.749 17.196 279 HD13 ILE 35 2HD1 ILE 35 9.033 -14.985 17.754 Start of MODEL 3 1 H1 GLU 1 H GLU 1 1.299 0.018 0.760 2 HA GLU 1 HA GLU 1 1.998 0.662 -2.016 3 HB2 GLU 1 1HB GLU 1 3.465 1.045 0.591 4 HB3 GLU 1 2HB GLU 1 4.239 1.267 -0.972 5 HG2 GLU 1 1HG GLU 1 1.731 2.735 -0.252 6 HG3 GLU 1 2HG GLU 1 3.320 3.326 0.232 7 H CYS 2 H CYS 2 3.540 -1.138 0.653 8 HA CYS 2 HA CYS 2 4.020 -3.367 -1.184 9 HB2 CYS 2 1HB CYS 2 6.375 -3.517 -0.160 10 HB3 CYS 2 2HB CYS 2 6.094 -2.280 -1.382 11 H LEU 3 H LEU 3 4.436 -5.380 -0.139 12 HA LEU 3 HA LEU 3 2.888 -5.821 2.165 13 HB2 LEU 3 1HB LEU 3 4.021 -8.086 2.147 14 HB3 LEU 3 2HB LEU 3 3.126 -7.629 0.699 15 HG LEU 3 HG LEU 3 5.729 -6.810 0.181 16 HD11 LEU 3 1HD1 LEU 3 6.224 -9.595 0.812 17 HD12 LEU 3 2HD1 LEU 3 5.931 -8.625 2.255 18 HD13 LEU 3 3HD1 LEU 3 7.211 -8.168 1.132 19 HD21 LEU 3 3HD2 LEU 3 5.460 -9.286 -1.019 20 HD22 LEU 3 1HD2 LEU 3 4.924 -7.740 -1.677 21 HD23 LEU 3 2HD2 LEU 3 3.796 -8.752 -0.776 22 H GLU 4 H GLU 4 3.559 -4.568 3.883 23 HA GLU 4 HA GLU 4 6.308 -4.792 4.816 24 HB2 GLU 4 1HB GLU 4 3.961 -3.115 5.691 25 HB3 GLU 4 2HB GLU 4 5.467 -3.171 6.596 26 HG2 GLU 4 1HG GLU 4 6.687 -2.224 4.799 27 HG3 GLU 4 2HG GLU 4 5.329 -2.417 3.692 28 H ILE 5 H ILE 5 3.883 -4.352 7.202 29 HA ILE 5 HA ILE 5 4.695 -6.828 8.498 30 HB ILE 5 HB ILE 5 4.597 -4.685 9.772 31 HG12 ILE 5 1HG1 ILE 5 2.875 -5.850 11.544 32 HG13 ILE 5 2HG1 ILE 5 3.291 -7.219 10.520 33 HG21 ILE 5 1HG2 ILE 5 1.715 -4.799 10.182 34 HG22 ILE 5 2HG2 ILE 5 2.766 -3.413 9.898 35 HG23 ILE 5 3HG2 ILE 5 2.167 -4.359 8.536 36 HD11 ILE 5 3HD1 ILE 5 5.496 -7.192 11.150 37 HD12 ILE 5 1HD1 ILE 5 5.459 -5.487 11.600 38 HD13 ILE 5 2HD1 ILE 5 4.694 -6.690 12.639 39 H PHE 6 H PHE 6 3.368 -8.530 8.954 40 HA PHE 6 HA PHE 6 1.657 -9.999 8.658 41 HB2 PHE 6 1HB PHE 6 -0.039 -7.496 8.777 42 HB3 PHE 6 2HB PHE 6 -0.614 -9.144 9.011 43 HD1 PHE 6 HD1 PHE 6 0.762 -10.473 10.881 44 HD2 PHE 6 HD2 PHE 6 0.342 -6.243 10.652 45 HE1 PHE 6 HE1 PHE 6 1.241 -10.298 13.288 46 HE2 PHE 6 HE2 PHE 6 0.822 -6.062 13.058 47 HZ PHE 6 HZ PHE 6 1.273 -8.090 14.380 48 H LYS 7 H LYS 7 2.823 -8.387 6.311 49 HA LYS 7 HA LYS 7 0.650 -8.760 4.376 50 HB2 LYS 7 1HB LYS 7 3.335 -7.424 3.994 51 HB3 LYS 7 2HB LYS 7 2.008 -7.442 2.839 52 HG2 LYS 7 1HG LYS 7 2.241 -5.953 5.420 53 HG3 LYS 7 2HG LYS 7 1.852 -5.346 3.809 54 HD2 LYS 7 1HD LYS 7 0.087 -7.068 5.550 55 HD3 LYS 7 2HD LYS 7 -0.131 -5.349 5.214 56 HE2 LYS 7 1HE LYS 7 0.038 -6.462 2.703 57 HE3 LYS 7 2HE LYS 7 -0.850 -7.680 3.617 58 HZ1 LYS 7 3HZ LYS 7 -2.249 -5.945 2.528 59 HZ2 LYS 7 1HZ LYS 7 -1.587 -4.808 3.592 60 HZ3 LYS 7 2HZ LYS 7 -2.498 -6.100 4.194 61 H ALA 8 H ALA 8 0.659 -10.384 2.953 62 HA ALA 8 HA ALA 8 2.488 -12.516 3.166 63 HB1 ALA 8 1HB ALA 8 1.315 -13.503 1.304 64 HB2 ALA 8 2HB ALA 8 0.152 -12.753 2.398 65 HB3 ALA 8 3HB ALA 8 0.592 -11.948 0.892 66 H CYS 9 H CYS 9 4.211 -13.145 1.929 67 HA CYS 9 HA CYS 9 5.213 -11.152 0.004 68 HB2 CYS 9 1HB CYS 9 7.473 -11.961 0.554 69 HB3 CYS 9 2HB CYS 9 6.636 -11.354 1.980 70 H ASN 10 H ASN 10 6.063 -11.838 -1.952 71 HA ASN 10 HA ASN 10 4.939 -14.216 -3.033 72 HB2 ASN 10 1HB ASN 10 6.064 -11.844 -4.047 73 HB3 ASN 10 2HB ASN 10 7.065 -13.153 -4.669 74 HD21 ASN 10 2HD2 ASN 10 6.433 -13.938 -6.531 75 HD22 ASN 10 1HD2 ASN 10 4.813 -13.970 -7.132 76 HA PRO 11 HA PRO 11 8.083 -17.172 -2.195 77 HB2 PRO 11 1HB PRO 11 7.741 -18.838 -4.310 78 HB3 PRO 11 2HB PRO 11 6.604 -18.755 -2.959 79 HG2 PRO 11 1HG PRO 11 6.431 -17.479 -5.661 80 HG3 PRO 11 2HG PRO 11 5.166 -18.298 -4.728 81 HD2 PRO 11 1HD PRO 11 5.377 -15.601 -4.842 82 HD3 PRO 11 2HD PRO 11 4.769 -16.452 -3.407 83 H SER 12 H SER 12 8.005 -15.507 -5.265 84 HA SER 12 HA SER 12 10.707 -16.360 -5.943 85 HB2 SER 12 1HB SER 12 9.957 -14.439 -7.799 86 HB3 SER 12 2HB SER 12 9.799 -16.184 -7.994 87 HG SER 12 HG SER 12 7.695 -16.047 -7.228 88 H ASN 13 H ASN 13 9.140 -13.813 -4.321 89 HA ASN 13 HA ASN 13 11.426 -12.008 -4.678 90 HB2 ASN 13 1HB ASN 13 9.036 -11.194 -5.017 91 HB3 ASN 13 2HB ASN 13 8.832 -11.367 -3.276 92 HD21 ASN 13 2HD2 ASN 13 11.174 -9.984 -5.559 93 HD22 ASN 13 1HD2 ASN 13 11.407 -8.511 -4.687 94 H ASP 14 H ASP 14 9.239 -12.812 -1.977 95 HA ASP 14 HA ASP 14 9.628 -13.224 0.226 96 HB2 ASP 14 1HB ASP 14 11.140 -14.990 -0.852 97 HB3 ASP 14 2HB ASP 14 12.475 -13.897 -0.497 98 H GLN 15 H GLN 15 11.604 -11.055 -1.528 99 HA GLN 15 HA GLN 15 12.996 -9.912 0.689 100 HB2 GLN 15 1HB GLN 15 12.541 -9.072 -2.160 101 HB3 GLN 15 2HB GLN 15 13.321 -7.991 -1.013 102 HG2 GLN 15 1HG GLN 15 15.167 -9.384 -0.765 103 HG3 GLN 15 2HG GLN 15 14.319 -10.780 -1.428 104 HE21 GLN 15 2HE2 GLN 15 15.666 -11.272 -3.071 105 HE22 GLN 15 1HE2 GLN 15 15.993 -10.227 -4.407 106 H CYS 16 H CYS 16 11.531 -9.344 2.272 107 HA CYS 16 HA CYS 16 9.131 -7.956 1.869 108 HB2 CYS 16 1HB CYS 16 10.257 -9.131 4.006 109 HB3 CYS 16 2HB CYS 16 10.630 -7.453 4.383 110 H CYS 17 H CYS 17 8.580 -5.769 2.166 111 HA CYS 17 HA CYS 17 10.131 -3.890 0.892 112 HB2 CYS 17 1HB CYS 17 7.632 -3.846 1.751 113 HB3 CYS 17 2HB CYS 17 8.343 -2.979 3.108 114 H LYS 18 H LYS 18 11.417 -2.144 1.580 115 HA LYS 18 HA LYS 18 12.979 -2.730 3.962 116 HB2 LYS 18 1HB LYS 18 13.778 -1.960 1.534 117 HB3 LYS 18 2HB LYS 18 13.573 -0.368 2.252 118 HG2 LYS 18 1HG LYS 18 15.728 -0.698 2.827 119 HG3 LYS 18 2HG LYS 18 14.985 -1.524 4.199 120 HD2 LYS 18 1HD LYS 18 15.481 -3.114 1.742 121 HD3 LYS 18 2HD LYS 18 16.882 -2.654 2.712 122 HE2 LYS 18 1HE LYS 18 16.397 -4.543 3.839 123 HE3 LYS 18 2HE LYS 18 15.212 -3.519 4.648 124 HZ1 LYS 18 3HZ LYS 18 13.669 -4.916 3.930 125 HZ2 LYS 18 1HZ LYS 18 14.782 -5.774 2.988 126 HZ3 LYS 18 2HZ LYS 18 13.992 -4.425 2.344 127 H SER 19 H SER 19 10.427 -1.927 4.617 128 HA SER 19 HA SER 19 10.775 0.848 5.538 129 HB2 SER 19 1HB SER 19 8.164 -0.663 5.494 130 HB3 SER 19 2HB SER 19 8.416 1.079 5.601 131 HG SER 19 HG SER 19 7.784 0.227 3.483 132 H SER 20 H SER 20 11.125 -2.242 6.574 133 HA SER 20 HA SER 20 11.425 -1.579 9.277 134 HB2 SER 20 1HB SER 20 8.729 -1.937 8.604 135 HB3 SER 20 2HB SER 20 9.206 -3.440 9.395 136 HG SER 20 HG SER 20 9.981 -1.015 10.556 137 H LYS 21 H LYS 21 12.226 -3.305 10.522 138 HA LYS 21 HA LYS 21 13.519 -5.345 9.021 139 HB2 LYS 21 1HB LYS 21 14.205 -4.187 11.268 140 HB3 LYS 21 2HB LYS 21 13.241 -5.461 12.003 141 HG2 LYS 21 1HG LYS 21 14.653 -7.100 10.688 142 HG3 LYS 21 2HG LYS 21 15.718 -5.738 10.328 143 HD2 LYS 21 1HD LYS 21 14.949 -6.254 13.162 144 HD3 LYS 21 2HD LYS 21 16.157 -7.295 12.405 145 HE2 LYS 21 1HE LYS 21 17.478 -5.639 13.310 146 HE3 LYS 21 2HE LYS 21 17.233 -5.036 11.672 147 HZ1 LYS 21 3HZ LYS 21 15.267 -4.208 13.645 148 HZ2 LYS 21 1HZ LYS 21 15.985 -3.324 12.393 149 HZ3 LYS 21 2HZ LYS 21 16.821 -3.570 13.843 150 H LEU 22 H LEU 22 11.780 -6.463 8.016 151 HA LEU 22 HA LEU 22 10.390 -8.321 9.831 152 HB2 LEU 22 1HB LEU 22 9.331 -7.230 7.229 153 HB3 LEU 22 2HB LEU 22 8.496 -8.334 8.320 154 HG LEU 22 HG LEU 22 9.306 -5.582 9.206 155 HD11 LEU 22 1HD1 LEU 22 6.522 -5.915 8.394 156 HD12 LEU 22 2HD1 LEU 22 7.666 -5.965 7.054 157 HD13 LEU 22 3HD1 LEU 22 7.630 -4.569 8.131 158 HD21 LEU 22 3HD2 LEU 22 7.221 -7.571 10.090 159 HD22 LEU 22 1HD2 LEU 22 7.354 -5.926 10.711 160 HD23 LEU 22 2HD2 LEU 22 8.668 -7.074 10.969 161 H VAL 23 H VAL 23 10.085 -10.449 9.089 162 HA VAL 23 HA VAL 23 11.503 -11.198 6.630 163 HB VAL 23 HB VAL 23 12.559 -13.107 7.754 164 HG11 VAL 23 1HG1 VAL 23 13.747 -10.942 7.499 165 HG12 VAL 23 2HG1 VAL 23 13.245 -10.516 9.136 166 HG13 VAL 23 3HG1 VAL 23 14.311 -11.896 8.870 167 HG21 VAL 23 3HG2 VAL 23 11.291 -11.914 10.209 168 HG22 VAL 23 1HG2 VAL 23 11.116 -13.550 9.573 169 HG23 VAL 23 2HG2 VAL 23 12.647 -13.040 10.284 170 H CYS 24 H CYS 24 10.809 -13.139 5.671 171 HA CYS 24 HA CYS 24 8.538 -14.521 6.874 172 HB2 CYS 24 1HB CYS 24 7.092 -14.233 5.000 173 HB3 CYS 24 2HB CYS 24 7.669 -12.629 5.441 174 H SER 25 H SER 25 11.382 -15.086 6.137 175 HA SER 25 HA SER 25 11.524 -16.748 3.885 176 HB2 SER 25 1HB SER 25 13.137 -16.590 6.424 177 HB3 SER 25 2HB SER 25 13.490 -17.799 5.189 178 HG SER 25 HG SER 25 13.907 -16.163 3.734 179 H ARG 26 H ARG 26 11.783 -18.004 7.197 180 HA ARG 26 HA ARG 26 10.323 -20.393 6.329 181 HB2 ARG 26 1HB ARG 26 11.241 -21.420 8.402 182 HB3 ARG 26 2HB ARG 26 12.482 -20.859 7.289 183 HG2 ARG 26 1HG ARG 26 11.657 -18.919 9.338 184 HG3 ARG 26 2HG ARG 26 12.479 -20.362 9.936 185 HD2 ARG 26 1HD ARG 26 13.683 -19.070 7.573 186 HD3 ARG 26 2HD ARG 26 13.756 -18.149 9.075 187 HE ARG 26 HE ARG 26 14.587 -20.742 9.645 188 HH11 ARG 26 1HH1 ARG 26 15.627 -18.028 7.728 189 HH12 ARG 26 2HH1 ARG 26 17.309 -18.425 7.842 190 HH21 ARG 26 1HH2 ARG 26 16.799 -21.275 9.802 191 HH22 ARG 26 2HH2 ARG 26 17.975 -20.273 9.021 192 H LYS 27 H LYS 27 10.026 -17.604 8.296 193 HA LYS 27 HA LYS 27 8.211 -18.510 10.239 194 HB2 LYS 27 1HB LYS 27 9.458 -16.135 9.703 195 HB3 LYS 27 2HB LYS 27 7.792 -15.762 9.279 196 HG2 LYS 27 1HG LYS 27 7.651 -15.236 11.458 197 HG3 LYS 27 2HG LYS 27 7.399 -16.974 11.642 198 HD2 LYS 27 1HD LYS 27 9.803 -17.264 12.056 199 HD3 LYS 27 2HD LYS 27 10.033 -15.521 11.900 200 HE2 LYS 27 1HE LYS 27 9.929 -16.051 14.230 201 HE3 LYS 27 2HE LYS 27 8.441 -15.213 13.793 202 HZ1 LYS 27 3HZ LYS 27 7.341 -17.382 13.640 203 HZ2 LYS 27 1HZ LYS 27 7.954 -17.094 15.191 204 HZ3 LYS 27 2HZ LYS 27 8.765 -18.144 14.142 205 H THR 28 H THR 28 5.997 -16.836 10.021 206 HA THR 28 HA THR 28 4.222 -18.408 8.536 207 HB THR 28 HB THR 28 2.701 -16.286 8.788 208 HG1 THR 28 HG1 THR 28 4.844 -15.142 9.431 209 HG21 THR 28 3HG2 THR 28 1.999 -17.882 10.224 210 HG22 THR 28 1HG2 THR 28 2.804 -16.878 11.429 211 HG23 THR 28 2HG2 THR 28 3.636 -18.277 10.748 212 H ARG 29 H ARG 29 2.779 -17.614 6.778 213 HA ARG 29 HA ARG 29 4.251 -16.961 4.490 214 HB2 ARG 29 1HB ARG 29 1.345 -17.130 5.148 215 HB3 ARG 29 2HB ARG 29 1.813 -16.364 3.636 216 HG2 ARG 29 1HG ARG 29 3.073 -18.416 3.044 217 HG3 ARG 29 2HG ARG 29 2.441 -19.175 4.507 218 HD2 ARG 29 1HD ARG 29 0.128 -18.585 3.609 219 HD3 ARG 29 2HD ARG 29 0.934 -18.253 2.076 220 HE ARG 29 HE ARG 29 0.392 -20.827 3.224 221 HH11 ARG 29 1HH1 ARG 29 2.458 -19.043 1.064 222 HH12 ARG 29 2HH1 ARG 29 2.908 -20.435 0.135 223 HH21 ARG 29 1HH2 ARG 29 0.977 -22.667 2.010 224 HH22 ARG 29 2HH2 ARG 29 2.064 -22.496 0.674 225 H TRP 30 H TRP 30 2.936 -14.964 6.940 226 HA TRP 30 HA TRP 30 3.150 -12.574 5.247 227 HB2 TRP 30 1HB TRP 30 1.934 -11.411 7.035 228 HB3 TRP 30 2HB TRP 30 1.045 -12.826 6.479 229 HD1 TRP 30 HD1 TRP 30 3.041 -11.545 9.496 230 HE1 TRP 30 HE1 TRP 30 2.449 -12.992 11.540 231 HE3 TRP 30 HE3 TRP 30 0.195 -15.101 7.175 232 HZ2 TRP 30 HZ2 TRP 30 0.971 -15.332 12.095 233 HZ3 TRP 30 HZ3 TRP 30 -0.771 -16.911 8.534 234 HH2 TRP 30 HH2 TRP 30 -0.389 -17.022 10.943 235 H CYS 31 H CYS 31 4.513 -10.886 5.754 236 HA CYS 31 HA CYS 31 6.949 -11.496 6.991 237 HB2 CYS 31 1HB CYS 31 5.662 -9.046 5.919 238 HB3 CYS 31 2HB CYS 31 7.002 -8.807 7.036 239 H LYS 32 H LYS 32 7.616 -11.457 9.037 240 HA LYS 32 HA LYS 32 6.078 -9.920 11.010 241 HB2 LYS 32 1HB LYS 32 6.561 -12.841 10.950 242 HB3 LYS 32 2HB LYS 32 6.776 -12.054 12.508 243 HG2 LYS 32 1HG LYS 32 4.313 -11.387 11.020 244 HG3 LYS 32 2HG LYS 32 4.437 -13.025 11.667 245 HD2 LYS 32 1HD LYS 32 5.307 -11.449 13.756 246 HD3 LYS 32 2HD LYS 32 4.001 -10.496 13.047 247 HE2 LYS 32 1HE LYS 32 2.436 -12.241 13.353 248 HE3 LYS 32 2HE LYS 32 3.703 -13.417 13.699 249 HZ1 LYS 32 3HZ LYS 32 3.674 -11.155 15.486 250 HZ2 LYS 32 1HZ LYS 32 3.787 -12.807 15.832 251 HZ3 LYS 32 2HZ LYS 32 2.274 -12.101 15.561 252 H TYR 33 H TYR 33 7.253 -9.234 12.837 253 HA TYR 33 HA TYR 33 9.987 -8.652 12.326 254 HB2 TYR 33 1HB TYR 33 9.909 -7.750 14.708 255 HB3 TYR 33 2HB TYR 33 8.783 -7.032 13.563 256 HD1 TYR 33 HD1 TYR 33 8.921 -9.821 16.049 257 HD2 TYR 33 HD2 TYR 33 6.587 -6.767 14.224 258 HE1 TYR 33 HE1 TYR 33 7.056 -10.351 17.562 259 HE2 TYR 33 HE2 TYR 33 4.715 -7.289 15.733 260 HH TYR 33 HH TYR 33 3.970 -8.601 17.356 261 H GLN 34 H GLN 34 11.833 -9.317 13.477 262 HA GLN 34 HA GLN 34 11.674 -12.065 14.420 263 HB2 GLN 34 1HB GLN 34 13.930 -10.250 13.620 264 HB3 GLN 34 2HB GLN 34 14.243 -11.745 14.491 265 HG2 GLN 34 1HG GLN 34 12.824 -12.841 12.624 266 HG3 GLN 34 2HG GLN 34 13.162 -11.356 11.736 267 HE21 GLN 34 2HE2 GLN 34 14.019 -14.230 11.437 268 HE22 GLN 34 1HE2 GLN 34 15.738 -14.148 11.289 269 H ILE 35 H ILE 35 11.740 -12.642 16.491 270 HA ILE 35 HA ILE 35 13.024 -10.933 18.463 271 HB ILE 35 HB ILE 35 11.090 -10.940 19.972 272 HG12 ILE 35 1HG1 ILE 35 8.844 -11.390 18.586 273 HG13 ILE 35 2HG1 ILE 35 9.905 -12.511 17.741 274 HG21 ILE 35 1HG2 ILE 35 9.753 -9.258 18.795 275 HG22 ILE 35 2HG2 ILE 35 11.481 -9.004 18.553 276 HG23 ILE 35 3HG2 ILE 35 10.509 -9.729 17.272 277 HD11 ILE 35 3HD1 ILE 35 8.488 -13.099 19.968 278 HD12 ILE 35 1HD1 ILE 35 9.946 -13.946 19.453 279 HD13 ILE 35 2HD1 ILE 35 10.051 -12.664 20.660 Start of MODEL 4 1 H1 GLU 1 H GLU 1 2.541 0.493 0.913 2 HA GLU 1 HA GLU 1 1.505 -0.004 -1.784 3 HB2 GLU 1 1HB GLU 1 4.021 1.326 -0.785 4 HB3 GLU 1 2HB GLU 1 3.761 0.937 -2.479 5 HG2 GLU 1 1HG GLU 1 1.898 2.410 -2.613 6 HG3 GLU 1 2HG GLU 1 1.898 2.659 -0.868 7 H CYS 2 H CYS 2 3.715 -1.236 0.607 8 HA CYS 2 HA CYS 2 4.250 -3.537 -1.141 9 HB2 CYS 2 1HB CYS 2 6.562 -3.608 -0.039 10 HB3 CYS 2 2HB CYS 2 6.296 -2.375 -1.268 11 H LEU 3 H LEU 3 4.560 -5.525 -0.074 12 HA LEU 3 HA LEU 3 2.982 -5.924 2.213 13 HB2 LEU 3 1HB LEU 3 4.093 -8.202 2.235 14 HB3 LEU 3 2HB LEU 3 3.218 -7.751 0.773 15 HG LEU 3 HG LEU 3 5.832 -6.963 0.270 16 HD11 LEU 3 1HD1 LEU 3 6.270 -9.753 0.962 17 HD12 LEU 3 2HD1 LEU 3 6.020 -8.726 2.374 18 HD13 LEU 3 3HD1 LEU 3 7.299 -8.344 1.221 19 HD21 LEU 3 3HD2 LEU 3 5.558 -9.445 -0.907 20 HD22 LEU 3 1HD2 LEU 3 5.027 -7.905 -1.583 21 HD23 LEU 3 2HD2 LEU 3 3.893 -8.908 -0.678 22 H GLU 4 H GLU 4 3.636 -4.674 3.936 23 HA GLU 4 HA GLU 4 6.370 -4.912 4.909 24 HB2 GLU 4 1HB GLU 4 4.024 -3.206 5.722 25 HB3 GLU 4 2HB GLU 4 5.499 -3.280 6.675 26 HG2 GLU 4 1HG GLU 4 6.736 -2.603 4.582 27 HG3 GLU 4 2HG GLU 4 5.159 -2.266 3.871 28 H ILE 5 H ILE 5 3.917 -4.439 7.258 29 HA ILE 5 HA ILE 5 4.690 -6.915 8.579 30 HB ILE 5 HB ILE 5 4.593 -4.762 9.839 31 HG12 ILE 5 1HG1 ILE 5 2.881 -5.878 11.621 32 HG13 ILE 5 2HG1 ILE 5 3.211 -7.267 10.592 33 HG21 ILE 5 1HG2 ILE 5 1.689 -4.881 10.173 34 HG22 ILE 5 2HG2 ILE 5 2.755 -3.490 9.984 35 HG23 ILE 5 3HG2 ILE 5 2.212 -4.385 8.564 36 HD11 ILE 5 3HD1 ILE 5 5.392 -7.392 11.226 37 HD12 ILE 5 1HD1 ILE 5 5.511 -5.665 11.562 38 HD13 ILE 5 2HD1 ILE 5 4.683 -6.730 12.699 39 H PHE 6 H PHE 6 3.345 -8.605 9.019 40 HA PHE 6 HA PHE 6 1.627 -10.062 8.704 41 HB2 PHE 6 1HB PHE 6 -0.059 -7.551 8.799 42 HB3 PHE 6 2HB PHE 6 -0.636 -9.196 9.047 43 HD1 PHE 6 HD1 PHE 6 0.707 -10.510 10.940 44 HD2 PHE 6 HD2 PHE 6 0.336 -6.279 10.659 45 HE1 PHE 6 HE1 PHE 6 1.175 -10.312 13.348 46 HE2 PHE 6 HE2 PHE 6 0.804 -6.074 13.066 47 HZ PHE 6 HZ PHE 6 1.225 -8.092 14.413 48 H LYS 7 H LYS 7 2.831 -8.467 6.368 49 HA LYS 7 HA LYS 7 0.672 -8.814 4.412 50 HB2 LYS 7 1HB LYS 7 3.376 -7.502 4.075 51 HB3 LYS 7 2HB LYS 7 2.082 -7.526 2.884 52 HG2 LYS 7 1HG LYS 7 2.231 -6.027 5.468 53 HG3 LYS 7 2HG LYS 7 1.926 -5.416 3.841 54 HD2 LYS 7 1HD LYS 7 0.059 -7.128 5.482 55 HD3 LYS 7 2HD LYS 7 -0.117 -5.400 5.168 56 HE2 LYS 7 1HE LYS 7 -0.325 -5.858 2.775 57 HE3 LYS 7 2HE LYS 7 -0.137 -7.583 3.085 58 HZ1 LYS 7 3HZ LYS 7 -2.421 -7.268 2.919 59 HZ2 LYS 7 1HZ LYS 7 -2.399 -5.823 3.799 60 HZ3 LYS 7 2HZ LYS 7 -2.157 -7.299 4.589 61 H ALA 8 H ALA 8 0.674 -10.439 2.991 62 HA ALA 8 HA ALA 8 2.451 -12.605 3.225 63 HB1 ALA 8 1HB ALA 8 1.031 -13.676 1.854 64 HB2 ALA 8 2HB ALA 8 0.011 -12.257 2.095 65 HB3 ALA 8 3HB ALA 8 1.035 -12.374 0.664 66 H CYS 9 H CYS 9 4.176 -13.284 2.008 67 HA CYS 9 HA CYS 9 5.292 -11.293 0.143 68 HB2 CYS 9 1HB CYS 9 7.512 -12.194 0.738 69 HB3 CYS 9 2HB CYS 9 6.664 -11.554 2.141 70 H ASN 10 H ASN 10 5.818 -11.903 -1.879 71 HA ASN 10 HA ASN 10 4.887 -14.436 -2.833 72 HB2 ASN 10 1HB ASN 10 5.772 -13.617 -5.037 73 HB3 ASN 10 2HB ASN 10 4.622 -12.528 -4.268 74 HD21 ASN 10 2HD2 ASN 10 5.736 -11.102 -5.895 75 HD22 ASN 10 1HD2 ASN 10 7.124 -10.233 -5.346 76 HA PRO 11 HA PRO 11 8.562 -16.829 -2.563 77 HB2 PRO 11 1HB PRO 11 8.219 -18.490 -4.682 78 HB3 PRO 11 2HB PRO 11 7.277 -18.627 -3.192 79 HG2 PRO 11 1HG PRO 11 6.531 -17.349 -5.795 80 HG3 PRO 11 2HG PRO 11 5.557 -18.389 -4.739 81 HD2 PRO 11 1HD PRO 11 5.299 -15.694 -4.769 82 HD3 PRO 11 2HD PRO 11 5.041 -16.662 -3.303 83 H SER 12 H SER 12 7.827 -15.009 -5.419 84 HA SER 12 HA SER 12 10.211 -15.554 -6.865 85 HB2 SER 12 1HB SER 12 7.980 -14.498 -7.688 86 HB3 SER 12 2HB SER 12 8.680 -12.980 -7.128 87 HG SER 12 HG SER 12 10.537 -13.569 -8.480 88 H ASN 13 H ASN 13 9.220 -12.640 -5.056 89 HA ASN 13 HA ASN 13 11.991 -11.760 -4.946 90 HB2 ASN 13 1HB ASN 13 9.345 -10.505 -4.307 91 HB3 ASN 13 2HB ASN 13 10.820 -9.813 -3.637 92 HD21 ASN 13 2HD2 ASN 13 12.619 -10.004 -5.581 93 HD22 ASN 13 1HD2 ASN 13 12.120 -9.132 -6.987 94 H ASP 14 H ASP 14 9.356 -12.393 -2.632 95 HA ASP 14 HA ASP 14 9.369 -13.078 -0.462 96 HB2 ASP 14 1HB ASP 14 11.703 -14.347 -1.666 97 HB3 ASP 14 2HB ASP 14 11.902 -14.081 0.064 98 H GLN 15 H GLN 15 11.761 -10.938 -1.640 99 HA GLN 15 HA GLN 15 12.916 -10.191 0.855 100 HB2 GLN 15 1HB GLN 15 13.736 -8.198 -0.432 101 HB3 GLN 15 2HB GLN 15 14.167 -9.752 -1.132 102 HG2 GLN 15 1HG GLN 15 13.102 -9.301 -3.024 103 HG3 GLN 15 2HG GLN 15 11.655 -8.767 -2.172 104 HE21 GLN 15 2HE2 GLN 15 11.176 -6.935 -3.218 105 HE22 GLN 15 1HE2 GLN 15 12.227 -5.571 -3.353 106 H CYS 16 H CYS 16 11.567 -9.489 2.408 107 HA CYS 16 HA CYS 16 9.191 -8.061 2.020 108 HB2 CYS 16 1HB CYS 16 10.304 -9.269 4.146 109 HB3 CYS 16 2HB CYS 16 10.694 -7.598 4.538 110 H CYS 17 H CYS 17 8.669 -5.871 2.325 111 HA CYS 17 HA CYS 17 10.256 -4.003 1.076 112 HB2 CYS 17 1HB CYS 17 7.742 -3.952 1.951 113 HB3 CYS 17 2HB CYS 17 8.477 -3.043 3.267 114 H LYS 18 H LYS 18 11.629 -2.354 1.749 115 HA LYS 18 HA LYS 18 13.188 -2.966 4.097 116 HB2 LYS 18 1HB LYS 18 13.939 -2.046 1.732 117 HB3 LYS 18 2HB LYS 18 13.629 -0.489 2.488 118 HG2 LYS 18 1HG LYS 18 15.895 -0.853 2.850 119 HG3 LYS 18 2HG LYS 18 15.143 -1.315 4.379 120 HD2 LYS 18 1HD LYS 18 15.097 -3.695 3.303 121 HD3 LYS 18 2HD LYS 18 16.361 -3.038 2.261 122 HE2 LYS 18 1HE LYS 18 17.671 -2.438 4.242 123 HE3 LYS 18 2HE LYS 18 16.407 -3.098 5.278 124 HZ1 LYS 18 3HZ LYS 18 16.781 -5.269 4.198 125 HZ2 LYS 18 1HZ LYS 18 18.141 -4.707 5.034 126 HZ3 LYS 18 2HZ LYS 18 18.084 -4.605 3.347 127 H SER 19 H SER 19 10.378 -1.336 3.669 128 HA SER 19 HA SER 19 10.719 1.062 5.079 129 HB2 SER 19 1HB SER 19 8.160 0.480 5.664 130 HB3 SER 19 2HB SER 19 8.665 1.061 4.077 131 HG SER 19 HG SER 19 8.535 -1.690 4.739 132 H SER 20 H SER 20 10.604 -2.206 6.150 133 HA SER 20 HA SER 20 11.223 -1.428 8.841 134 HB2 SER 20 1HB SER 20 8.529 -2.580 8.169 135 HB3 SER 20 2HB SER 20 9.271 -2.893 9.738 136 HG SER 20 HG SER 20 7.872 -1.005 9.631 137 H LYS 21 H LYS 21 12.098 -3.111 10.062 138 HA LYS 21 HA LYS 21 13.247 -5.234 8.551 139 HB2 LYS 21 1HB LYS 21 13.373 -4.279 11.359 140 HB3 LYS 21 2HB LYS 21 13.795 -5.963 11.079 141 HG2 LYS 21 1HG LYS 21 15.040 -3.936 9.313 142 HG3 LYS 21 2HG LYS 21 15.585 -4.011 10.990 143 HD2 LYS 21 1HD LYS 21 17.023 -5.467 9.861 144 HD3 LYS 21 2HD LYS 21 15.824 -6.536 10.593 145 HE2 LYS 21 1HE LYS 21 15.283 -5.526 7.855 146 HE3 LYS 21 2HE LYS 21 16.549 -6.739 8.042 147 HZ1 LYS 21 3HZ LYS 21 13.961 -7.317 7.748 148 HZ2 LYS 21 1HZ LYS 21 14.074 -7.308 9.436 149 HZ3 LYS 21 2HZ LYS 21 15.066 -8.333 8.527 150 H LEU 22 H LEU 22 11.932 -6.800 7.821 151 HA LEU 22 HA LEU 22 10.483 -8.378 9.810 152 HB2 LEU 22 1HB LEU 22 9.263 -7.429 7.222 153 HB3 LEU 22 2HB LEU 22 8.518 -8.543 8.366 154 HG LEU 22 HG LEU 22 9.287 -5.828 9.322 155 HD11 LEU 22 1HD1 LEU 22 6.574 -5.896 8.335 156 HD12 LEU 22 2HD1 LEU 22 7.742 -6.112 7.032 157 HD13 LEU 22 3HD1 LEU 22 7.840 -4.695 8.076 158 HD21 LEU 22 3HD2 LEU 22 8.417 -7.501 10.877 159 HD22 LEU 22 1HD2 LEU 22 6.964 -7.667 9.892 160 HD23 LEU 22 2HD2 LEU 22 7.304 -6.142 10.709 161 H VAL 23 H VAL 23 10.167 -10.557 9.236 162 HA VAL 23 HA VAL 23 11.559 -11.446 6.799 163 HB VAL 23 HB VAL 23 12.395 -13.418 8.102 164 HG11 VAL 23 1HG1 VAL 23 14.096 -11.947 7.670 165 HG12 VAL 23 2HG1 VAL 23 13.316 -10.620 8.533 166 HG13 VAL 23 3HG1 VAL 23 14.101 -11.919 9.432 167 HG21 VAL 23 3HG2 VAL 23 10.744 -13.082 9.980 168 HG22 VAL 23 1HG2 VAL 23 12.406 -13.408 10.473 169 HG23 VAL 23 2HG2 VAL 23 11.772 -11.763 10.539 170 H CYS 24 H CYS 24 10.791 -13.348 5.852 171 HA CYS 24 HA CYS 24 8.457 -14.637 7.034 172 HB2 CYS 24 1HB CYS 24 7.044 -14.313 5.140 173 HB3 CYS 24 2HB CYS 24 7.668 -12.727 5.580 174 H SER 25 H SER 25 11.318 -15.244 6.242 175 HA SER 25 HA SER 25 11.368 -16.970 4.036 176 HB2 SER 25 1HB SER 25 13.354 -18.017 5.344 177 HB3 SER 25 2HB SER 25 13.478 -16.335 4.827 178 HG SER 25 HG SER 25 14.041 -16.294 6.930 179 H ARG 26 H ARG 26 11.683 -18.114 7.386 180 HA ARG 26 HA ARG 26 10.222 -20.536 6.625 181 HB2 ARG 26 1HB ARG 26 11.835 -19.996 9.124 182 HB3 ARG 26 2HB ARG 26 11.180 -21.547 8.616 183 HG2 ARG 26 1HG ARG 26 12.735 -21.795 6.919 184 HG3 ARG 26 2HG ARG 26 13.093 -20.068 6.860 185 HD2 ARG 26 1HD ARG 26 14.824 -20.411 8.206 186 HD3 ARG 26 2HD ARG 26 13.710 -20.937 9.467 187 HE ARG 26 HE ARG 26 15.399 -22.600 7.841 188 HH11 ARG 26 1HH1 ARG 26 12.500 -22.474 9.765 189 HH12 ARG 26 2HH1 ARG 26 12.497 -24.173 10.106 190 HH21 ARG 26 1HH2 ARG 26 15.406 -24.837 8.283 191 HH22 ARG 26 2HH2 ARG 26 14.151 -25.516 9.264 192 H LYS 27 H LYS 27 9.903 -17.660 8.457 193 HA LYS 27 HA LYS 27 8.074 -18.493 10.426 194 HB2 LYS 27 1HB LYS 27 9.337 -16.146 9.826 195 HB3 LYS 27 2HB LYS 27 7.681 -15.779 9.359 196 HG2 LYS 27 1HG LYS 27 7.468 -15.189 11.509 197 HG3 LYS 27 2HG LYS 27 7.270 -16.924 11.770 198 HD2 LYS 27 1HD LYS 27 9.598 -17.157 12.333 199 HD3 LYS 27 2HD LYS 27 9.912 -15.474 11.904 200 HE2 LYS 27 1HE LYS 27 8.290 -14.818 13.705 201 HE3 LYS 27 2HE LYS 27 8.256 -16.510 14.198 202 HZ1 LYS 27 3HZ LYS 27 10.227 -14.509 14.722 203 HZ2 LYS 27 1HZ LYS 27 10.912 -15.904 14.053 204 HZ3 LYS 27 2HZ LYS 27 9.992 -16.009 15.468 205 H THR 28 H THR 28 5.857 -16.860 10.156 206 HA THR 28 HA THR 28 4.106 -18.468 8.681 207 HB THR 28 HB THR 28 2.587 -16.318 8.887 208 HG1 THR 28 HG1 THR 28 4.342 -14.935 9.469 209 HG21 THR 28 3HG2 THR 28 1.826 -17.937 10.271 210 HG22 THR 28 1HG2 THR 28 2.592 -16.952 11.515 211 HG23 THR 28 2HG2 THR 28 3.441 -18.347 10.849 212 H ARG 29 H ARG 29 2.642 -17.661 6.922 213 HA ARG 29 HA ARG 29 4.115 -17.064 4.620 214 HB2 ARG 29 1HB ARG 29 1.209 -17.169 5.291 215 HB3 ARG 29 2HB ARG 29 1.687 -16.435 3.766 216 HG2 ARG 29 1HG ARG 29 2.888 -18.513 3.183 217 HG3 ARG 29 2HG ARG 29 2.288 -19.241 4.675 218 HD2 ARG 29 1HD ARG 29 0.449 -18.057 2.613 219 HD3 ARG 29 2HD ARG 29 0.996 -19.732 2.532 220 HE ARG 29 HE ARG 29 -0.931 -18.617 4.362 221 HH11 ARG 29 1HH1 ARG 29 1.305 -21.217 3.760 222 HH12 ARG 29 2HH1 ARG 29 0.500 -22.328 4.818 223 HH21 ARG 29 1HH2 ARG 29 -2.000 -20.071 5.757 224 HH22 ARG 29 2HH2 ARG 29 -1.380 -21.676 5.952 225 H TRP 30 H TRP 30 2.848 -15.013 7.050 226 HA TRP 30 HA TRP 30 3.114 -12.650 5.326 227 HB2 TRP 30 1HB TRP 30 1.920 -11.442 7.118 228 HB3 TRP 30 2HB TRP 30 0.992 -12.813 6.518 229 HD1 TRP 30 HD1 TRP 30 2.898 -11.611 9.612 230 HE1 TRP 30 HE1 TRP 30 2.231 -13.086 11.612 231 HE3 TRP 30 HE3 TRP 30 0.135 -15.131 7.139 232 HZ2 TRP 30 HZ2 TRP 30 0.733 -15.433 12.080 233 HZ3 TRP 30 HZ3 TRP 30 -0.880 -16.958 8.436 234 HH2 TRP 30 HH2 TRP 30 -0.586 -17.105 10.856 235 H CYS 31 H CYS 31 4.491 -10.970 5.840 236 HA CYS 31 HA CYS 31 6.909 -11.609 7.096 237 HB2 CYS 31 1HB CYS 31 5.670 -9.163 5.979 238 HB3 CYS 31 2HB CYS 31 6.970 -8.907 7.139 239 H LYS 32 H LYS 32 7.592 -11.526 9.142 240 HA LYS 32 HA LYS 32 6.006 -10.018 11.104 241 HB2 LYS 32 1HB LYS 32 6.774 -12.910 11.168 242 HB3 LYS 32 2HB LYS 32 6.659 -12.018 12.680 243 HG2 LYS 32 1HG LYS 32 4.321 -11.328 11.501 244 HG3 LYS 32 2HG LYS 32 4.549 -12.963 10.876 245 HD2 LYS 32 1HD LYS 32 3.888 -13.812 12.820 246 HD3 LYS 32 2HD LYS 32 5.190 -12.958 13.652 247 HE2 LYS 32 1HE LYS 32 3.408 -10.948 13.242 248 HE3 LYS 32 2HE LYS 32 2.327 -12.324 13.456 249 HZ1 LYS 32 3HZ LYS 32 4.312 -12.470 15.417 250 HZ2 LYS 32 1HZ LYS 32 2.657 -12.188 15.625 251 HZ3 LYS 32 2HZ LYS 32 3.717 -10.886 15.418 252 H TYR 33 H TYR 33 7.155 -9.260 12.918 253 HA TYR 33 HA TYR 33 9.858 -8.559 12.391 254 HB2 TYR 33 1HB TYR 33 9.753 -7.620 14.747 255 HB3 TYR 33 2HB TYR 33 8.562 -6.990 13.615 256 HD1 TYR 33 HD1 TYR 33 8.925 -9.716 16.147 257 HD2 TYR 33 HD2 TYR 33 6.364 -6.856 14.311 258 HE1 TYR 33 HE1 TYR 33 7.126 -10.334 17.707 259 HE2 TYR 33 HE2 TYR 33 4.559 -7.466 15.867 260 HH TYR 33 HH TYR 33 4.081 -9.826 17.295 261 H GLN 34 H GLN 34 11.736 -9.128 13.542 262 HA GLN 34 HA GLN 34 11.891 -11.885 14.248 263 HB2 GLN 34 1HB GLN 34 13.839 -9.603 14.228 264 HB3 GLN 34 2HB GLN 34 14.278 -11.137 14.968 265 HG2 GLN 34 1HG GLN 34 13.500 -12.144 12.701 266 HG3 GLN 34 2HG GLN 34 13.739 -10.502 12.106 267 HE21 GLN 34 2HE2 GLN 34 15.374 -13.027 13.975 268 HE22 GLN 34 1HE2 GLN 34 16.955 -12.700 13.362 269 H ILE 35 H ILE 35 12.509 -12.786 16.264 270 HA ILE 35 HA ILE 35 11.167 -11.645 18.493 271 HB ILE 35 HB ILE 35 13.151 -13.920 18.521 272 HG12 ILE 35 1HG1 ILE 35 11.400 -14.376 16.889 273 HG13 ILE 35 2HG1 ILE 35 11.169 -15.387 18.311 274 HG21 ILE 35 1HG2 ILE 35 12.828 -13.512 20.736 275 HG22 ILE 35 2HG2 ILE 35 11.240 -12.788 20.485 276 HG23 ILE 35 3HG2 ILE 35 11.427 -14.541 20.440 277 HD11 ILE 35 3HD1 ILE 35 9.504 -13.664 19.101 278 HD12 ILE 35 1HD1 ILE 35 9.609 -12.962 17.487 279 HD13 ILE 35 2HD1 ILE 35 9.038 -14.618 17.693 Start of MODEL 5 1 H1 GLU 1 H GLU 1 2.710 1.049 -2.833 2 HA GLU 1 HA GLU 1 2.883 0.699 0.088 3 HB2 GLU 1 1HB GLU 1 0.755 -0.330 -1.797 4 HB3 GLU 1 2HB GLU 1 0.849 -0.701 -0.081 5 HG2 GLU 1 1HG GLU 1 0.662 1.757 0.364 6 HG3 GLU 1 2HG GLU 1 0.325 1.971 -1.353 7 H CYS 2 H CYS 2 3.505 -1.295 0.882 8 HA CYS 2 HA CYS 2 4.094 -3.453 -0.977 9 HB2 CYS 2 1HB CYS 2 6.440 -3.633 0.037 10 HB3 CYS 2 2HB CYS 2 6.175 -2.357 -1.146 11 H LEU 3 H LEU 3 4.486 -5.475 0.061 12 HA LEU 3 HA LEU 3 2.918 -5.917 2.350 13 HB2 LEU 3 1HB LEU 3 4.038 -8.189 2.330 14 HB3 LEU 3 2HB LEU 3 3.155 -7.720 0.879 15 HG LEU 3 HG LEU 3 5.761 -6.914 0.373 16 HD11 LEU 3 1HD1 LEU 3 6.218 -9.708 1.038 17 HD12 LEU 3 2HD1 LEU 3 5.975 -8.693 2.458 18 HD13 LEU 3 3HD1 LEU 3 7.243 -8.297 1.299 19 HD21 LEU 3 3HD2 LEU 3 5.495 -9.388 -0.826 20 HD22 LEU 3 1HD2 LEU 3 4.960 -7.843 -1.487 21 HD23 LEU 3 2HD2 LEU 3 3.830 -8.856 -0.588 22 H GLU 4 H GLU 4 3.573 -4.697 4.091 23 HA GLU 4 HA GLU 4 6.317 -4.925 5.039 24 HB2 GLU 4 1HB GLU 4 3.959 -3.260 5.902 25 HB3 GLU 4 2HB GLU 4 5.441 -3.336 6.844 26 HG2 GLU 4 1HG GLU 4 6.689 -2.267 5.201 27 HG3 GLU 4 2HG GLU 4 5.503 -2.609 3.943 28 H ILE 5 H ILE 5 3.872 -4.526 7.413 29 HA ILE 5 HA ILE 5 4.687 -7.015 8.683 30 HB ILE 5 HB ILE 5 4.564 -4.884 9.980 31 HG12 ILE 5 1HG1 ILE 5 2.862 -6.080 11.740 32 HG13 ILE 5 2HG1 ILE 5 3.268 -7.437 10.694 33 HG21 ILE 5 1HG2 ILE 5 1.642 -5.103 10.265 34 HG22 ILE 5 2HG2 ILE 5 2.678 -3.677 10.239 35 HG23 ILE 5 3HG2 ILE 5 2.217 -4.459 8.727 36 HD11 ILE 5 3HD1 ILE 5 5.453 -7.460 11.343 37 HD12 ILE 5 1HD1 ILE 5 5.472 -5.741 11.735 38 HD13 ILE 5 2HD1 ILE 5 4.687 -6.885 12.824 39 H PHE 6 H PHE 6 3.361 -8.726 9.116 40 HA PHE 6 HA PHE 6 1.667 -10.205 8.769 41 HB2 PHE 6 1HB PHE 6 -0.060 -7.726 8.941 42 HB3 PHE 6 2HB PHE 6 -0.603 -9.386 9.165 43 HD1 PHE 6 HD1 PHE 6 0.837 -10.705 11.004 44 HD2 PHE 6 HD2 PHE 6 0.292 -6.488 10.830 45 HE1 PHE 6 HE1 PHE 6 1.335 -10.545 13.408 46 HE2 PHE 6 HE2 PHE 6 0.790 -6.321 13.234 47 HZ PHE 6 HZ PHE 6 1.313 -8.351 14.526 48 H LYS 7 H LYS 7 2.827 -8.553 6.459 49 HA LYS 7 HA LYS 7 0.648 -8.868 4.520 50 HB2 LYS 7 1HB LYS 7 3.343 -7.548 4.153 51 HB3 LYS 7 2HB LYS 7 2.003 -7.520 3.014 52 HG2 LYS 7 1HG LYS 7 2.321 -6.070 5.599 53 HG3 LYS 7 2HG LYS 7 1.829 -5.459 4.018 54 HD2 LYS 7 1HD LYS 7 -0.275 -6.830 4.278 55 HD3 LYS 7 2HD LYS 7 0.210 -7.105 5.953 56 HE2 LYS 7 1HE LYS 7 -1.145 -5.268 6.192 57 HE3 LYS 7 2HE LYS 7 0.427 -4.495 5.996 58 HZ1 LYS 7 3HZ LYS 7 -0.704 -3.324 4.457 59 HZ2 LYS 7 1HZ LYS 7 -1.860 -4.532 4.200 60 HZ3 LYS 7 2HZ LYS 7 -0.341 -4.646 3.467 61 H ALA 8 H ALA 8 0.646 -10.459 3.059 62 HA ALA 8 HA ALA 8 2.409 -12.632 3.227 63 HB1 ALA 8 1HB ALA 8 1.051 -13.644 1.729 64 HB2 ALA 8 2HB ALA 8 -0.010 -12.292 2.127 65 HB3 ALA 8 3HB ALA 8 0.983 -12.234 0.671 66 H CYS 9 H CYS 9 4.110 -13.317 1.955 67 HA CYS 9 HA CYS 9 5.265 -11.278 0.166 68 HB2 CYS 9 1HB CYS 9 7.485 -12.173 0.791 69 HB3 CYS 9 2HB CYS 9 6.612 -11.524 2.176 70 H ASN 10 H ASN 10 5.729 -11.862 -1.866 71 HA ASN 10 HA ASN 10 4.857 -14.382 -2.855 72 HB2 ASN 10 1HB ASN 10 5.788 -13.568 -5.027 73 HB3 ASN 10 2HB ASN 10 4.677 -12.432 -4.266 74 HD21 ASN 10 2HD2 ASN 10 5.962 -11.142 -5.956 75 HD22 ASN 10 1HD2 ASN 10 7.344 -10.301 -5.351 76 HA PRO 11 HA PRO 11 8.486 -16.832 -2.491 77 HB2 PRO 11 1HB PRO 11 8.185 -18.472 -4.634 78 HB3 PRO 11 2HB PRO 11 7.195 -18.605 -3.175 79 HG2 PRO 11 1HG PRO 11 6.549 -17.297 -5.789 80 HG3 PRO 11 2HG PRO 11 5.528 -18.330 -4.773 81 HD2 PRO 11 1HD PRO 11 5.311 -15.631 -4.788 82 HD3 PRO 11 2HD PRO 11 4.993 -16.606 -3.339 83 H SER 12 H SER 12 7.833 -15.128 -5.474 84 HA SER 12 HA SER 12 10.254 -15.654 -6.811 85 HB2 SER 12 1HB SER 12 8.240 -14.671 -7.890 86 HB3 SER 12 2HB SER 12 8.533 -13.170 -7.012 87 HG SER 12 HG SER 12 10.220 -14.389 -8.940 88 H ASN 13 H ASN 13 9.314 -12.616 -5.189 89 HA ASN 13 HA ASN 13 12.094 -11.850 -4.948 90 HB2 ASN 13 1HB ASN 13 9.512 -10.494 -4.159 91 HB3 ASN 13 2HB ASN 13 11.098 -9.801 -3.835 92 HD21 ASN 13 2HD2 ASN 13 11.454 -8.220 -5.206 93 HD22 ASN 13 1HD2 ASN 13 11.137 -8.252 -6.904 94 H ASP 14 H ASP 14 9.390 -12.428 -2.702 95 HA ASP 14 HA ASP 14 9.334 -13.102 -0.530 96 HB2 ASP 14 1HB ASP 14 10.855 -14.902 -1.539 97 HB3 ASP 14 2HB ASP 14 12.194 -14.002 -0.830 98 H GLN 15 H GLN 15 11.779 -10.992 -1.649 99 HA GLN 15 HA GLN 15 12.891 -10.248 0.860 100 HB2 GLN 15 1HB GLN 15 13.729 -9.844 -1.609 101 HB3 GLN 15 2HB GLN 15 12.818 -8.349 -1.446 102 HG2 GLN 15 1HG GLN 15 15.042 -7.846 -0.863 103 HG3 GLN 15 2HG GLN 15 14.132 -7.899 0.646 104 HE21 GLN 15 2HE2 GLN 15 16.205 -9.843 -1.450 105 HE22 GLN 15 1HE2 GLN 15 16.923 -10.769 -0.181 106 H CYS 16 H CYS 16 11.544 -9.541 2.408 107 HA CYS 16 HA CYS 16 9.161 -8.126 2.012 108 HB2 CYS 16 1HB CYS 16 10.266 -9.330 4.141 109 HB3 CYS 16 2HB CYS 16 10.661 -7.660 4.533 110 H CYS 17 H CYS 17 8.626 -5.941 2.292 111 HA CYS 17 HA CYS 17 10.216 -4.068 1.057 112 HB2 CYS 17 1HB CYS 17 7.698 -4.013 1.858 113 HB3 CYS 17 2HB CYS 17 8.383 -3.152 3.232 114 H LYS 18 H LYS 18 11.524 -2.359 1.764 115 HA LYS 18 HA LYS 18 13.087 -2.971 4.114 116 HB2 LYS 18 1HB LYS 18 13.922 -2.093 1.813 117 HB3 LYS 18 2HB LYS 18 13.445 -0.514 2.424 118 HG2 LYS 18 1HG LYS 18 15.638 -0.548 3.042 119 HG3 LYS 18 2HG LYS 18 14.898 -1.233 4.491 120 HD2 LYS 18 1HD LYS 18 15.313 -3.510 3.462 121 HD3 LYS 18 2HD LYS 18 16.310 -2.684 2.262 122 HE2 LYS 18 1HE LYS 18 17.397 -1.643 4.449 123 HE3 LYS 18 2HE LYS 18 16.793 -3.140 5.157 124 HZ1 LYS 18 3HZ LYS 18 18.921 -2.733 3.211 125 HZ2 LYS 18 1HZ LYS 18 17.954 -4.103 2.992 126 HZ3 LYS 18 2HZ LYS 18 18.788 -3.881 4.446 127 H SER 19 H SER 19 10.238 -1.449 3.730 128 HA SER 19 HA SER 19 10.493 0.980 5.100 129 HB2 SER 19 1HB SER 19 8.139 -0.919 4.956 130 HB3 SER 19 2HB SER 19 8.056 0.734 5.564 131 HG SER 19 HG SER 19 8.228 1.492 3.581 132 H SER 20 H SER 20 10.522 -2.283 6.226 133 HA SER 20 HA SER 20 11.232 -1.448 8.874 134 HB2 SER 20 1HB SER 20 8.523 -2.637 8.340 135 HB3 SER 20 2HB SER 20 9.332 -2.909 9.883 136 HG SER 20 HG SER 20 8.333 -0.535 8.784 137 H LYS 21 H LYS 21 12.117 -3.127 10.122 138 HA LYS 21 HA LYS 21 13.284 -5.238 8.616 139 HB2 LYS 21 1HB LYS 21 13.242 -4.620 11.569 140 HB3 LYS 21 2HB LYS 21 14.109 -5.993 10.896 141 HG2 LYS 21 1HG LYS 21 14.596 -3.171 9.990 142 HG3 LYS 21 2HG LYS 21 15.462 -3.910 11.340 143 HD2 LYS 21 1HD LYS 21 16.093 -5.771 9.746 144 HD3 LYS 21 2HD LYS 21 15.463 -4.753 8.449 145 HE2 LYS 21 1HE LYS 21 17.497 -3.695 10.376 146 HE3 LYS 21 2HE LYS 21 17.991 -4.677 8.998 147 HZ1 LYS 21 3HZ LYS 21 16.611 -3.029 7.641 148 HZ2 LYS 21 1HZ LYS 21 18.115 -2.512 8.218 149 HZ3 LYS 21 2HZ LYS 21 16.697 -2.025 9.000 150 H LEU 22 H LEU 22 11.912 -6.751 7.843 151 HA LEU 22 HA LEU 22 10.485 -8.372 9.823 152 HB2 LEU 22 1HB LEU 22 9.287 -7.447 7.216 153 HB3 LEU 22 2HB LEU 22 8.532 -8.538 8.376 154 HG LEU 22 HG LEU 22 9.303 -5.833 9.331 155 HD11 LEU 22 1HD1 LEU 22 8.031 -4.687 7.926 156 HD12 LEU 22 2HD1 LEU 22 6.650 -5.718 8.298 157 HD13 LEU 22 3HD1 LEU 22 7.752 -6.157 6.993 158 HD21 LEU 22 3HD2 LEU 22 7.003 -7.720 9.812 159 HD22 LEU 22 1HD2 LEU 22 7.142 -6.119 10.539 160 HD23 LEU 22 2HD2 LEU 22 8.342 -7.359 10.904 161 H VAL 23 H VAL 23 10.187 -10.551 9.239 162 HA VAL 23 HA VAL 23 11.597 -11.429 6.810 163 HB VAL 23 HB VAL 23 11.884 -12.667 9.551 164 HG11 VAL 23 1HG1 VAL 23 13.702 -13.968 8.155 165 HG12 VAL 23 2HG1 VAL 23 12.025 -14.516 8.209 166 HG13 VAL 23 3HG1 VAL 23 12.610 -13.600 6.820 167 HG21 VAL 23 3HG2 VAL 23 13.958 -11.734 9.713 168 HG22 VAL 23 1HG2 VAL 23 14.194 -11.686 7.966 169 HG23 VAL 23 2HG2 VAL 23 13.169 -10.485 8.751 170 H CYS 24 H CYS 24 10.789 -13.251 5.807 171 HA CYS 24 HA CYS 24 8.496 -14.602 7.024 172 HB2 CYS 24 1HB CYS 24 7.075 -14.292 5.136 173 HB3 CYS 24 2HB CYS 24 7.691 -12.699 5.566 174 H SER 25 H SER 25 11.353 -15.202 6.256 175 HA SER 25 HA SER 25 11.427 -16.921 4.042 176 HB2 SER 25 1HB SER 25 13.115 -16.594 6.497 177 HB3 SER 25 2HB SER 25 13.391 -17.976 5.437 178 HG SER 25 HG SER 25 13.982 -15.329 5.058 179 H ARG 26 H ARG 26 11.725 -18.068 7.393 180 HA ARG 26 HA ARG 26 10.291 -20.500 6.619 181 HB2 ARG 26 1HB ARG 26 11.711 -20.048 9.235 182 HB3 ARG 26 2HB ARG 26 11.314 -21.574 8.457 183 HG2 ARG 26 1HG ARG 26 13.351 -19.579 7.488 184 HG3 ARG 26 2HG ARG 26 13.694 -21.098 8.318 185 HD2 ARG 26 1HD ARG 26 12.432 -22.237 6.430 186 HD3 ARG 26 2HD ARG 26 12.513 -20.692 5.583 187 HE ARG 26 HE ARG 26 15.092 -21.187 6.278 188 HH11 ARG 26 1HH1 ARG 26 12.651 -22.988 4.569 189 HH12 ARG 26 2HH1 ARG 26 13.788 -23.831 3.570 190 HH21 ARG 26 1HH2 ARG 26 16.598 -22.291 4.969 191 HH22 ARG 26 2HH2 ARG 26 16.033 -23.435 3.799 192 H LYS 27 H LYS 27 9.914 -17.622 8.433 193 HA LYS 27 HA LYS 27 8.075 -18.454 10.387 194 HB2 LYS 27 1HB LYS 27 8.164 -15.759 9.023 195 HB3 LYS 27 2HB LYS 27 7.487 -16.119 10.606 196 HG2 LYS 27 1HG LYS 27 9.581 -16.390 11.578 197 HG3 LYS 27 2HG LYS 27 10.379 -16.619 10.020 198 HD2 LYS 27 1HD LYS 27 10.436 -14.372 9.567 199 HD3 LYS 27 2HD LYS 27 9.006 -14.029 10.542 200 HE2 LYS 27 1HE LYS 27 10.456 -14.634 12.557 201 HE3 LYS 27 2HE LYS 27 11.827 -14.513 11.455 202 HZ1 LYS 27 3HZ LYS 27 10.287 -12.235 11.083 203 HZ2 LYS 27 1HZ LYS 27 11.815 -12.341 11.802 204 HZ3 LYS 27 2HZ LYS 27 10.423 -12.444 12.756 205 H THR 28 H THR 28 5.817 -16.921 10.100 206 HA THR 28 HA THR 28 4.133 -18.576 8.599 207 HB THR 28 HB THR 28 2.567 -16.430 8.805 208 HG1 THR 28 HG1 THR 28 3.403 -15.474 10.940 209 HG21 THR 28 3HG2 THR 28 1.770 -18.124 10.076 210 HG22 THR 28 1HG2 THR 28 2.474 -17.190 11.395 211 HG23 THR 28 2HG2 THR 28 3.363 -18.546 10.701 212 H ARG 29 H ARG 29 2.613 -17.730 6.866 213 HA ARG 29 HA ARG 29 4.067 -17.120 4.556 214 HB2 ARG 29 1HB ARG 29 1.168 -17.216 5.256 215 HB3 ARG 29 2HB ARG 29 1.632 -16.463 3.736 216 HG2 ARG 29 1HG ARG 29 2.825 -18.543 3.121 217 HG3 ARG 29 2HG ARG 29 2.215 -19.286 4.601 218 HD2 ARG 29 1HD ARG 29 0.350 -18.030 2.620 219 HD3 ARG 29 2HD ARG 29 0.937 -19.676 2.392 220 HE ARG 29 HE ARG 29 0.001 -19.691 4.933 221 HH11 ARG 29 1HH1 ARG 29 -1.362 -18.740 1.874 222 HH12 ARG 29 2HH1 ARG 29 -2.986 -19.140 2.325 223 HH21 ARG 29 1HH2 ARG 29 -2.133 -20.222 5.539 224 HH22 ARG 29 2HH2 ARG 29 -3.424 -19.982 4.410 225 H TRP 30 H TRP 30 2.839 -15.084 7.018 226 HA TRP 30 HA TRP 30 3.115 -12.706 5.314 227 HB2 TRP 30 1HB TRP 30 1.950 -11.510 7.153 228 HB3 TRP 30 2HB TRP 30 0.995 -12.829 6.482 229 HD1 TRP 30 HD1 TRP 30 2.820 -11.768 9.662 230 HE1 TRP 30 HE1 TRP 30 2.109 -13.325 11.584 231 HE3 TRP 30 HE3 TRP 30 0.155 -15.206 6.976 232 HZ2 TRP 30 HZ2 TRP 30 0.616 -15.697 11.917 233 HZ3 TRP 30 HZ3 TRP 30 -0.883 -17.089 8.172 234 HH2 TRP 30 HH2 TRP 30 -0.656 -17.328 10.591 235 H CYS 31 H CYS 31 4.478 -11.016 5.878 236 HA CYS 31 HA CYS 31 6.907 -11.683 7.096 237 HB2 CYS 31 1HB CYS 31 5.648 -9.204 6.072 238 HB3 CYS 31 2HB CYS 31 6.966 -8.988 7.219 239 H LYS 32 H LYS 32 7.582 -11.694 9.142 240 HA LYS 32 HA LYS 32 5.906 -10.365 11.170 241 HB2 LYS 32 1HB LYS 32 7.265 -13.054 11.261 242 HB3 LYS 32 2HB LYS 32 6.744 -12.219 12.719 243 HG2 LYS 32 1HG LYS 32 4.498 -12.135 11.151 244 HG3 LYS 32 2HG LYS 32 5.193 -13.709 10.756 245 HD2 LYS 32 1HD LYS 32 4.575 -12.687 13.528 246 HD3 LYS 32 2HD LYS 32 3.634 -13.879 12.629 247 HE2 LYS 32 1HE LYS 32 6.512 -14.193 13.477 248 HE3 LYS 32 2HE LYS 32 5.124 -14.921 14.284 249 HZ1 LYS 32 3HZ LYS 32 4.654 -16.204 12.332 250 HZ2 LYS 32 1HZ LYS 32 6.275 -16.445 12.751 251 HZ3 LYS 32 2HZ LYS 32 5.878 -15.430 11.458 252 H TYR 33 H TYR 33 6.974 -9.469 12.970 253 HA TYR 33 HA TYR 33 9.514 -8.334 12.388 254 HB2 TYR 33 1HB TYR 33 9.333 -7.460 14.759 255 HB3 TYR 33 2HB TYR 33 8.009 -7.023 13.684 256 HD1 TYR 33 HD1 TYR 33 8.926 -9.680 16.149 257 HD2 TYR 33 HD2 TYR 33 5.848 -7.279 14.457 258 HE1 TYR 33 HE1 TYR 33 7.319 -10.616 17.759 259 HE2 TYR 33 HE2 TYR 33 4.233 -8.207 16.063 260 HH TYR 33 HH TYR 33 5.188 -10.051 18.773 261 H GLN 34 H GLN 34 11.492 -8.617 13.474 262 HA GLN 34 HA GLN 34 12.149 -11.312 14.058 263 HB2 GLN 34 1HB GLN 34 13.683 -8.736 14.396 264 HB3 GLN 34 2HB GLN 34 14.371 -10.315 14.751 265 HG2 GLN 34 1HG GLN 34 13.985 -10.994 12.428 266 HG3 GLN 34 2HG GLN 34 13.332 -9.394 12.080 267 HE21 GLN 34 2HE2 GLN 34 16.201 -10.754 13.675 268 HE22 GLN 34 1HE2 GLN 34 17.339 -9.726 12.880 269 H ILE 35 H ILE 35 12.654 -12.312 15.988 270 HA ILE 35 HA ILE 35 12.084 -10.811 18.452 271 HB ILE 35 HB ILE 35 10.966 -12.822 19.380 272 HG12 ILE 35 1HG1 ILE 35 10.948 -13.804 16.519 273 HG13 ILE 35 2HG1 ILE 35 12.007 -14.436 17.775 274 HG21 ILE 35 1HG2 ILE 35 8.850 -12.409 18.380 275 HG22 ILE 35 2HG2 ILE 35 9.744 -10.891 18.343 276 HG23 ILE 35 3HG2 ILE 35 9.596 -11.862 16.879 277 HD11 ILE 35 3HD1 ILE 35 10.352 -15.964 17.918 278 HD12 ILE 35 1HD1 ILE 35 9.679 -14.758 19.014 279 HD13 ILE 35 2HD1 ILE 35 9.115 -14.845 17.345 Start of MODEL 6 1 H1 GLU 1 H GLU 1 3.482 1.218 -2.813 2 HA GLU 1 HA GLU 1 2.817 0.740 -0.011 3 HB2 GLU 1 1HB GLU 1 0.682 0.933 -1.362 4 HB3 GLU 1 2HB GLU 1 1.192 -0.513 -2.223 5 HG2 GLU 1 1HG GLU 1 0.902 -1.875 -0.387 6 HG3 GLU 1 2HG GLU 1 1.037 -0.540 0.756 7 H CYS 2 H CYS 2 2.985 -1.566 0.574 8 HA CYS 2 HA CYS 2 4.086 -3.505 -1.134 9 HB2 CYS 2 1HB CYS 2 6.410 -3.528 -0.073 10 HB3 CYS 2 2HB CYS 2 6.096 -2.269 -1.264 11 H LEU 3 H LEU 3 4.472 -5.490 -0.080 12 HA LEU 3 HA LEU 3 2.915 -5.955 2.208 13 HB2 LEU 3 1HB LEU 3 4.118 -8.191 2.218 14 HB3 LEU 3 2HB LEU 3 3.208 -7.770 0.769 15 HG LEU 3 HG LEU 3 5.773 -6.878 0.223 16 HD11 LEU 3 1HD1 LEU 3 5.843 -9.183 2.065 17 HD12 LEU 3 2HD1 LEU 3 7.053 -7.940 1.750 18 HD13 LEU 3 3HD1 LEU 3 6.864 -9.290 0.631 19 HD21 LEU 3 3HD2 LEU 3 5.579 -9.408 -0.901 20 HD22 LEU 3 1HD2 LEU 3 5.027 -7.891 -1.612 21 HD23 LEU 3 2HD2 LEU 3 3.905 -8.892 -0.690 22 H GLU 4 H GLU 4 3.531 -4.680 3.930 23 HA GLU 4 HA GLU 4 6.271 -4.833 4.902 24 HB2 GLU 4 1HB GLU 4 3.871 -3.212 5.737 25 HB3 GLU 4 2HB GLU 4 5.365 -3.227 6.665 26 HG2 GLU 4 1HG GLU 4 6.552 -2.119 5.027 27 HG3 GLU 4 2HG GLU 4 5.428 -2.584 3.752 28 H ILE 5 H ILE 5 3.799 -4.447 7.250 29 HA ILE 5 HA ILE 5 4.656 -6.896 8.569 30 HB ILE 5 HB ILE 5 4.471 -4.736 9.821 31 HG12 ILE 5 1HG1 ILE 5 2.809 -5.954 11.602 32 HG13 ILE 5 2HG1 ILE 5 3.260 -7.316 10.582 33 HG21 ILE 5 1HG2 ILE 5 1.579 -5.006 10.177 34 HG22 ILE 5 2HG2 ILE 5 2.570 -3.561 9.983 35 HG23 ILE 5 3HG2 ILE 5 2.066 -4.480 8.565 36 HD11 ILE 5 3HD1 ILE 5 5.410 -7.304 11.283 37 HD12 ILE 5 1HD1 ILE 5 5.440 -5.558 11.528 38 HD13 ILE 5 2HD1 ILE 5 4.658 -6.601 12.715 39 H PHE 6 H PHE 6 3.355 -8.620 9.041 40 HA PHE 6 HA PHE 6 1.700 -10.144 8.695 41 HB2 PHE 6 1HB PHE 6 -0.079 -7.701 8.830 42 HB3 PHE 6 2HB PHE 6 -0.589 -9.368 9.070 43 HD1 PHE 6 HD1 PHE 6 0.831 -10.642 10.938 44 HD2 PHE 6 HD2 PHE 6 0.277 -6.429 10.698 45 HE1 PHE 6 HE1 PHE 6 1.314 -10.445 13.343 46 HE2 PHE 6 HE2 PHE 6 0.760 -6.225 13.102 47 HZ PHE 6 HZ PHE 6 1.280 -8.235 14.428 48 H LYS 7 H LYS 7 2.849 -8.539 6.366 49 HA LYS 7 HA LYS 7 0.679 -8.891 4.423 50 HB2 LYS 7 1HB LYS 7 3.373 -7.564 4.069 51 HB3 LYS 7 2HB LYS 7 2.067 -7.586 2.892 52 HG2 LYS 7 1HG LYS 7 2.303 -6.048 5.432 53 HG3 LYS 7 2HG LYS 7 1.825 -5.503 3.823 54 HD2 LYS 7 1HD LYS 7 -0.253 -6.927 4.110 55 HD3 LYS 7 2HD LYS 7 0.208 -7.088 5.807 56 HE2 LYS 7 1HE LYS 7 -0.421 -4.544 4.318 57 HE3 LYS 7 2HE LYS 7 -1.374 -5.292 5.599 58 HZ1 LYS 7 3HZ LYS 7 0.635 -4.962 7.053 59 HZ2 LYS 7 1HZ LYS 7 -0.177 -3.550 6.595 60 HZ3 LYS 7 2HZ LYS 7 1.270 -3.978 5.832 61 H ALA 8 H ALA 8 0.681 -10.512 2.997 62 HA ALA 8 HA ALA 8 2.499 -12.655 3.208 63 HB1 ALA 8 1HB ALA 8 1.356 -13.240 0.897 64 HB2 ALA 8 2HB ALA 8 0.484 -13.381 2.424 65 HB3 ALA 8 3HB ALA 8 0.245 -11.965 1.399 66 H CYS 9 H CYS 9 4.248 -13.257 2.015 67 HA CYS 9 HA CYS 9 5.260 -11.268 0.094 68 HB2 CYS 9 1HB CYS 9 7.511 -12.213 0.614 69 HB3 CYS 9 2HB CYS 9 6.720 -11.476 2.003 70 H ASN 10 H ASN 10 5.958 -11.898 -1.908 71 HA ASN 10 HA ASN 10 4.867 -14.298 -2.974 72 HB2 ASN 10 1HB ASN 10 5.999 -11.874 -3.989 73 HB3 ASN 10 2HB ASN 10 6.794 -13.236 -4.772 74 HD21 ASN 10 2HD2 ASN 10 5.895 -13.125 -6.745 75 HD22 ASN 10 1HD2 ASN 10 4.205 -13.294 -7.061 76 HA PRO 11 HA PRO 11 8.153 -17.155 -2.386 77 HB2 PRO 11 1HB PRO 11 7.807 -18.750 -4.555 78 HB3 PRO 11 2HB PRO 11 6.713 -18.766 -3.166 79 HG2 PRO 11 1HG PRO 11 6.400 -17.394 -5.808 80 HG3 PRO 11 2HG PRO 11 5.199 -18.300 -4.869 81 HD2 PRO 11 1HD PRO 11 5.300 -15.594 -4.880 82 HD3 PRO 11 2HD PRO 11 4.775 -16.524 -3.462 83 H SER 12 H SER 12 7.928 -15.306 -5.324 84 HA SER 12 HA SER 12 10.598 -16.070 -6.195 85 HB2 SER 12 1HB SER 12 8.258 -14.980 -7.457 86 HB3 SER 12 2HB SER 12 9.631 -13.914 -7.756 87 HG SER 12 HG SER 12 10.512 -15.392 -8.976 88 H ASN 13 H ASN 13 8.940 -13.398 -4.668 89 HA ASN 13 HA ASN 13 11.316 -11.713 -4.795 90 HB2 ASN 13 1HB ASN 13 9.030 -10.762 -5.179 91 HB3 ASN 13 2HB ASN 13 8.649 -11.120 -3.497 92 HD21 ASN 13 2HD2 ASN 13 11.235 -9.561 -5.367 93 HD22 ASN 13 1HD2 ASN 13 11.401 -8.198 -4.318 94 H ASP 14 H ASP 14 9.058 -12.561 -2.168 95 HA ASP 14 HA ASP 14 9.393 -13.062 0.026 96 HB2 ASP 14 1HB ASP 14 10.880 -14.828 -1.088 97 HB3 ASP 14 2HB ASP 14 12.236 -13.784 -0.669 98 H GLN 15 H GLN 15 11.458 -10.885 -1.611 99 HA GLN 15 HA GLN 15 12.857 -9.863 0.653 100 HB2 GLN 15 1HB GLN 15 12.499 -9.051 -2.188 101 HB3 GLN 15 2HB GLN 15 13.042 -7.824 -1.052 102 HG2 GLN 15 1HG GLN 15 14.428 -10.455 -1.090 103 HG3 GLN 15 2HG GLN 15 14.749 -9.299 -2.382 104 HE21 GLN 15 2HE2 GLN 15 16.666 -8.452 -1.963 105 HE22 GLN 15 1HE2 GLN 15 17.164 -7.778 -0.452 106 H CYS 16 H CYS 16 11.407 -9.347 2.267 107 HA CYS 16 HA CYS 16 9.027 -7.908 1.949 108 HB2 CYS 16 1HB CYS 16 10.154 -9.185 4.023 109 HB3 CYS 16 2HB CYS 16 10.563 -7.531 4.464 110 H CYS 17 H CYS 17 8.507 -5.729 2.332 111 HA CYS 17 HA CYS 17 10.076 -3.820 1.125 112 HB2 CYS 17 1HB CYS 17 7.572 -3.820 2.096 113 HB3 CYS 17 2HB CYS 17 8.360 -2.881 3.359 114 H LYS 18 H LYS 18 11.386 -2.119 1.876 115 HA LYS 18 HA LYS 18 13.047 -2.837 4.119 116 HB2 LYS 18 1HB LYS 18 13.770 -1.786 1.860 117 HB3 LYS 18 2HB LYS 18 13.267 -0.264 2.583 118 HG2 LYS 18 1HG LYS 18 15.570 -0.401 2.971 119 HG3 LYS 18 2HG LYS 18 14.819 -0.837 4.508 120 HD2 LYS 18 1HD LYS 18 16.366 -2.513 4.340 121 HD3 LYS 18 2HD LYS 18 15.010 -3.275 3.505 122 HE2 LYS 18 1HE LYS 18 16.956 -1.638 1.944 123 HE3 LYS 18 2HE LYS 18 17.409 -3.266 2.444 124 HZ1 LYS 18 3HZ LYS 18 15.148 -3.905 1.425 125 HZ2 LYS 18 1HZ LYS 18 16.452 -3.604 0.390 126 HZ3 LYS 18 2HZ LYS 18 15.260 -2.425 0.614 127 H SER 19 H SER 19 10.156 -1.324 3.928 128 HA SER 19 HA SER 19 10.428 0.988 5.482 129 HB2 SER 19 1HB SER 19 8.353 0.761 4.425 130 HB3 SER 19 2HB SER 19 8.150 -0.904 4.968 131 HG SER 19 HG SER 19 7.367 1.385 6.160 132 H SER 20 H SER 20 10.538 -2.348 6.343 133 HA SER 20 HA SER 20 11.251 -1.688 9.051 134 HB2 SER 20 1HB SER 20 8.554 -2.126 8.597 135 HB3 SER 20 2HB SER 20 9.132 -3.699 9.148 136 HG SER 20 HG SER 20 9.660 -2.860 11.059 137 H LYS 21 H LYS 21 12.256 -3.405 10.151 138 HA LYS 21 HA LYS 21 13.495 -5.331 8.431 139 HB2 LYS 21 1HB LYS 21 14.431 -4.116 10.556 140 HB3 LYS 21 2HB LYS 21 13.677 -5.450 11.420 141 HG2 LYS 21 1HG LYS 21 14.991 -6.918 9.705 142 HG3 LYS 21 2HG LYS 21 15.989 -5.472 9.542 143 HD2 LYS 21 1HD LYS 21 15.332 -6.698 12.210 144 HD3 LYS 21 2HD LYS 21 16.741 -7.181 11.263 145 HE2 LYS 21 1HE LYS 21 17.674 -5.560 12.581 146 HE3 LYS 21 2HE LYS 21 17.173 -4.586 11.200 147 HZ1 LYS 21 3HZ LYS 21 16.583 -3.887 13.640 148 HZ2 LYS 21 1HZ LYS 21 15.279 -4.938 13.405 149 HZ3 LYS 21 2HZ LYS 21 15.496 -3.617 12.372 150 H LEU 22 H LEU 22 11.400 -6.329 7.789 151 HA LEU 22 HA LEU 22 10.444 -8.279 9.773 152 HB2 LEU 22 1HB LEU 22 9.108 -7.463 7.201 153 HB3 LEU 22 2HB LEU 22 8.422 -8.445 8.493 154 HG LEU 22 HG LEU 22 9.266 -5.698 9.210 155 HD11 LEU 22 1HD1 LEU 22 6.614 -5.490 8.284 156 HD12 LEU 22 2HD1 LEU 22 7.564 -6.180 6.969 157 HD13 LEU 22 3HD1 LEU 22 8.044 -4.645 7.692 158 HD21 LEU 22 3HD2 LEU 22 6.817 -7.343 9.839 159 HD22 LEU 22 1HD2 LEU 22 7.283 -5.820 10.597 160 HD23 LEU 22 2HD2 LEU 22 8.274 -7.260 10.830 161 H VAL 23 H VAL 23 10.180 -10.460 9.180 162 HA VAL 23 HA VAL 23 11.522 -11.280 6.693 163 HB VAL 23 HB VAL 23 11.903 -12.634 9.366 164 HG11 VAL 23 1HG1 VAL 23 12.799 -13.235 6.581 165 HG12 VAL 23 2HG1 VAL 23 13.810 -13.706 7.948 166 HG13 VAL 23 3HG1 VAL 23 12.162 -14.322 7.815 167 HG21 VAL 23 3HG2 VAL 23 14.133 -11.757 9.382 168 HG22 VAL 23 1HG2 VAL 23 13.910 -11.029 7.792 169 HG23 VAL 23 2HG2 VAL 23 13.015 -10.409 9.180 170 H CYS 24 H CYS 24 10.784 -13.196 5.755 171 HA CYS 24 HA CYS 24 8.543 -14.575 7.020 172 HB2 CYS 24 1HB CYS 24 7.064 -14.311 5.164 173 HB3 CYS 24 2HB CYS 24 7.638 -12.702 5.592 174 H SER 25 H SER 25 11.390 -15.104 6.175 175 HA SER 25 HA SER 25 11.444 -16.823 3.958 176 HB2 SER 25 1HB SER 25 13.481 -17.818 5.273 177 HB3 SER 25 2HB SER 25 13.560 -16.164 4.664 178 HG SER 25 HG SER 25 14.183 -16.039 6.760 179 H ARG 26 H ARG 26 11.886 -17.962 7.295 180 HA ARG 26 HA ARG 26 10.498 -20.435 6.570 181 HB2 ARG 26 1HB ARG 26 11.581 -21.459 8.416 182 HB3 ARG 26 2HB ARG 26 12.795 -20.460 7.629 183 HG2 ARG 26 1HG ARG 26 11.853 -18.710 9.443 184 HG3 ARG 26 2HG ARG 26 11.595 -20.228 10.304 185 HD2 ARG 26 1HD ARG 26 14.175 -20.254 9.063 186 HD3 ARG 26 2HD ARG 26 13.994 -18.779 10.012 187 HE ARG 26 HE ARG 26 14.001 -20.042 11.932 188 HH11 ARG 26 1HH1 ARG 26 13.630 -22.121 9.164 189 HH12 ARG 26 2HH1 ARG 26 13.854 -23.582 10.068 190 HH21 ARG 26 1HH2 ARG 26 14.298 -21.958 13.132 191 HH22 ARG 26 2HH2 ARG 26 14.234 -23.488 12.325 192 H LYS 27 H LYS 27 10.087 -17.564 8.397 193 HA LYS 27 HA LYS 27 8.292 -18.474 10.370 194 HB2 LYS 27 1HB LYS 27 9.494 -16.083 9.789 195 HB3 LYS 27 2HB LYS 27 7.822 -15.756 9.353 196 HG2 LYS 27 1HG LYS 27 7.666 -15.187 11.522 197 HG3 LYS 27 2HG LYS 27 7.443 -16.924 11.738 198 HD2 LYS 27 1HD LYS 27 9.097 -16.551 13.273 199 HD3 LYS 27 2HD LYS 27 10.084 -16.891 11.849 200 HE2 LYS 27 1HE LYS 27 9.270 -14.079 12.240 201 HE3 LYS 27 2HE LYS 27 10.416 -14.727 13.412 202 HZ1 LYS 27 3HZ LYS 27 10.815 -14.038 10.652 203 HZ2 LYS 27 1HZ LYS 27 11.413 -15.572 11.042 204 HZ3 LYS 27 2HZ LYS 27 11.948 -14.215 11.897 205 H THR 28 H THR 28 6.037 -16.886 10.124 206 HA THR 28 HA THR 28 4.321 -18.515 8.632 207 HB THR 28 HB THR 28 2.743 -16.423 8.869 208 HG1 THR 28 HG1 THR 28 4.247 -14.882 9.444 209 HG21 THR 28 3HG2 THR 28 2.043 -18.039 10.279 210 HG22 THR 28 1HG2 THR 28 2.830 -17.051 11.508 211 HG23 THR 28 2HG2 THR 28 3.679 -18.429 10.808 212 H ARG 29 H ARG 29 2.844 -17.734 6.879 213 HA ARG 29 HA ARG 29 4.302 -17.067 4.587 214 HB2 ARG 29 1HB ARG 29 1.400 -17.265 5.251 215 HB3 ARG 29 2HB ARG 29 1.858 -16.500 3.736 216 HG2 ARG 29 1HG ARG 29 3.116 -18.533 3.126 217 HG3 ARG 29 2HG ARG 29 2.547 -19.296 4.612 218 HD2 ARG 29 1HD ARG 29 1.153 -20.001 2.782 219 HD3 ARG 29 2HD ARG 29 0.219 -18.950 3.846 220 HE ARG 29 HE ARG 29 -0.008 -17.479 2.115 221 HH11 ARG 29 1HH1 ARG 29 2.638 -19.632 1.419 222 HH12 ARG 29 2HH1 ARG 29 2.872 -19.035 -0.190 223 HH21 ARG 29 1HH2 ARG 29 0.291 -16.684 -0.002 224 HH22 ARG 29 2HH2 ARG 29 1.537 -17.357 -0.997 225 H TRP 30 H TRP 30 2.971 -15.082 7.038 226 HA TRP 30 HA TRP 30 3.154 -12.692 5.342 227 HB2 TRP 30 1HB TRP 30 1.941 -11.541 7.150 228 HB3 TRP 30 2HB TRP 30 1.055 -12.950 6.572 229 HD1 TRP 30 HD1 TRP 30 3.030 -11.700 9.613 230 HE1 TRP 30 HE1 TRP 30 2.440 -13.181 11.634 231 HE3 TRP 30 HE3 TRP 30 0.224 -15.247 7.229 232 HZ2 TRP 30 HZ2 TRP 30 0.979 -15.541 12.150 233 HZ3 TRP 30 HZ3 TRP 30 -0.733 -17.083 8.559 234 HH2 TRP 30 HH2 TRP 30 -0.362 -17.226 10.968 235 H CYS 31 H CYS 31 4.488 -10.978 5.856 236 HA CYS 31 HA CYS 31 6.942 -11.558 7.070 237 HB2 CYS 31 1HB CYS 31 5.604 -9.103 6.055 238 HB3 CYS 31 2HB CYS 31 6.982 -8.881 7.129 239 H LYS 32 H LYS 32 7.623 -11.523 9.113 240 HA LYS 32 HA LYS 32 6.022 -10.078 11.113 241 HB2 LYS 32 1HB LYS 32 6.872 -12.940 11.101 242 HB3 LYS 32 2HB LYS 32 6.821 -12.088 12.639 243 HG2 LYS 32 1HG LYS 32 4.410 -11.420 11.593 244 HG3 LYS 32 2HG LYS 32 4.637 -13.042 10.934 245 HD2 LYS 32 1HD LYS 32 4.179 -13.964 12.907 246 HD3 LYS 32 2HD LYS 32 5.404 -12.975 13.705 247 HE2 LYS 32 1HE LYS 32 3.895 -11.436 14.408 248 HE3 LYS 32 2HE LYS 32 2.885 -11.614 12.975 249 HZ1 LYS 32 3HZ LYS 32 1.810 -12.423 15.012 250 HZ2 LYS 32 1HZ LYS 32 3.029 -13.582 15.194 251 HZ3 LYS 32 2HZ LYS 32 1.992 -13.647 13.859 252 H TYR 33 H TYR 33 7.165 -9.296 12.920 253 HA TYR 33 HA TYR 33 9.829 -8.477 12.364 254 HB2 TYR 33 1HB TYR 33 9.718 -7.577 14.738 255 HB3 TYR 33 2HB TYR 33 8.495 -6.975 13.626 256 HD1 TYR 33 HD1 TYR 33 8.978 -9.724 16.113 257 HD2 TYR 33 HD2 TYR 33 6.302 -6.929 14.346 258 HE1 TYR 33 HE1 TYR 33 7.218 -10.429 17.679 259 HE2 TYR 33 HE2 TYR 33 4.534 -7.625 15.908 260 HH TYR 33 HH TYR 33 4.049 -9.838 17.269 261 H GLN 34 H GLN 34 11.746 -8.982 13.480 262 HA GLN 34 HA GLN 34 11.966 -11.745 14.223 263 HB2 GLN 34 1HB GLN 34 13.909 -9.468 13.983 264 HB3 GLN 34 2HB GLN 34 14.397 -10.990 14.716 265 HG2 GLN 34 1HG GLN 34 13.075 -11.054 12.055 266 HG3 GLN 34 2HG GLN 34 14.753 -10.522 12.159 267 HE21 GLN 34 2HE2 GLN 34 15.869 -12.084 13.987 268 HE22 GLN 34 1HE2 GLN 34 15.780 -13.749 13.538 269 H ILE 35 H ILE 35 12.008 -12.615 16.202 270 HA ILE 35 HA ILE 35 12.648 -11.010 18.529 271 HB ILE 35 HB ILE 35 10.475 -11.998 19.629 272 HG12 ILE 35 1HG1 ILE 35 8.565 -11.996 18.081 273 HG13 ILE 35 2HG1 ILE 35 9.655 -11.704 16.730 274 HG21 ILE 35 1HG2 ILE 35 11.263 -9.542 18.977 275 HG22 ILE 35 2HG2 ILE 35 9.874 -9.670 17.899 276 HG23 ILE 35 3HG2 ILE 35 9.662 -9.876 19.637 277 HD11 ILE 35 3HD1 ILE 35 10.445 -13.847 16.730 278 HD12 ILE 35 1HD1 ILE 35 10.103 -14.092 18.443 279 HD13 ILE 35 2HD1 ILE 35 8.787 -14.108 17.269 Start of MODEL 7 1 H1 GLU 1 H GLU 1 1.728 1.015 0.900 2 HA GLU 1 HA GLU 1 2.005 0.599 -1.788 3 HB2 GLU 1 1HB GLU 1 3.075 2.377 -0.193 4 HB3 GLU 1 2HB GLU 1 4.438 1.267 -0.172 5 HG2 GLU 1 1HG GLU 1 4.490 1.387 -2.656 6 HG3 GLU 1 2HG GLU 1 3.247 2.634 -2.571 7 H CYS 2 H CYS 2 3.307 -1.306 0.802 8 HA CYS 2 HA CYS 2 4.102 -3.365 -1.048 9 HB2 CYS 2 1HB CYS 2 6.435 -3.489 0.015 10 HB3 CYS 2 2HB CYS 2 6.158 -2.227 -1.181 11 H LEU 3 H LEU 3 4.477 -5.386 -0.033 12 HA LEU 3 HA LEU 3 2.909 -5.862 2.250 13 HB2 LEU 3 1HB LEU 3 4.044 -8.129 2.204 14 HB3 LEU 3 2HB LEU 3 3.154 -7.648 0.761 15 HG LEU 3 HG LEU 3 5.754 -6.820 0.258 16 HD11 LEU 3 1HD1 LEU 3 6.214 -9.626 0.896 17 HD12 LEU 3 2HD1 LEU 3 5.993 -8.611 2.321 18 HD13 LEU 3 3HD1 LEU 3 7.248 -8.219 1.146 19 HD21 LEU 3 3HD2 LEU 3 5.464 -9.308 -0.948 20 HD22 LEU 3 1HD2 LEU 3 4.998 -7.744 -1.618 21 HD23 LEU 3 2HD2 LEU 3 3.815 -8.716 -0.742 22 H GLU 4 H GLU 4 3.567 -4.642 3.996 23 HA GLU 4 HA GLU 4 6.308 -4.884 4.948 24 HB2 GLU 4 1HB GLU 4 3.953 -3.217 5.815 25 HB3 GLU 4 2HB GLU 4 5.432 -3.305 6.761 26 HG2 GLU 4 1HG GLU 4 6.701 -2.276 5.080 27 HG3 GLU 4 2HG GLU 4 5.447 -2.526 3.866 28 H ILE 5 H ILE 5 3.862 -4.492 7.321 29 HA ILE 5 HA ILE 5 4.666 -6.991 8.577 30 HB ILE 5 HB ILE 5 4.544 -4.857 9.880 31 HG12 ILE 5 1HG1 ILE 5 2.854 -6.082 11.638 32 HG13 ILE 5 2HG1 ILE 5 3.286 -7.427 10.589 33 HG21 ILE 5 1HG2 ILE 5 1.661 -5.042 10.283 34 HG22 ILE 5 2HG2 ILE 5 2.685 -3.627 10.045 35 HG23 ILE 5 3HG2 ILE 5 2.113 -4.546 8.652 36 HD11 ILE 5 3HD1 ILE 5 5.501 -7.362 11.199 37 HD12 ILE 5 1HD1 ILE 5 5.424 -5.674 11.701 38 HD13 ILE 5 2HD1 ILE 5 4.693 -6.927 12.705 39 H PHE 6 H PHE 6 3.328 -8.696 9.011 40 HA PHE 6 HA PHE 6 1.627 -10.165 8.660 41 HB2 PHE 6 1HB PHE 6 -0.066 -7.663 8.835 42 HB3 PHE 6 2HB PHE 6 -0.651 -9.314 9.011 43 HD1 PHE 6 HD1 PHE 6 0.647 -10.714 10.860 44 HD2 PHE 6 HD2 PHE 6 0.360 -6.469 10.742 45 HE1 PHE 6 HE1 PHE 6 1.104 -10.619 13.276 46 HE2 PHE 6 HE2 PHE 6 0.818 -6.367 13.157 47 HZ PHE 6 HZ PHE 6 1.191 -8.443 14.427 48 H LYS 7 H LYS 7 2.812 -8.526 6.353 49 HA LYS 7 HA LYS 7 0.645 -8.836 4.400 50 HB2 LYS 7 1HB LYS 7 3.349 -7.527 4.054 51 HB3 LYS 7 2HB LYS 7 2.024 -7.503 2.897 52 HG2 LYS 7 1HG LYS 7 2.310 -6.040 5.479 53 HG3 LYS 7 2HG LYS 7 1.843 -5.436 3.888 54 HD2 LYS 7 1HD LYS 7 -0.270 -6.795 4.123 55 HD3 LYS 7 2HD LYS 7 0.191 -7.070 5.805 56 HE2 LYS 7 1HE LYS 7 0.412 -4.466 5.859 57 HE3 LYS 7 2HE LYS 7 -0.642 -4.542 4.448 58 HZ1 LYS 7 3HZ LYS 7 -2.265 -5.746 5.750 59 HZ2 LYS 7 1HZ LYS 7 -1.889 -4.283 6.513 60 HZ3 LYS 7 2HZ LYS 7 -1.247 -5.734 7.101 61 H ALA 8 H ALA 8 0.642 -10.434 2.948 62 HA ALA 8 HA ALA 8 2.439 -12.594 3.131 63 HB1 ALA 8 1HB ALA 8 1.327 -13.298 0.943 64 HB2 ALA 8 2HB ALA 8 0.289 -13.106 2.356 65 HB3 ALA 8 3HB ALA 8 0.339 -11.849 1.121 66 H CYS 9 H CYS 9 4.165 -13.223 1.898 67 HA CYS 9 HA CYS 9 5.205 -11.216 0.008 68 HB2 CYS 9 1HB CYS 9 7.456 -12.018 0.589 69 HB3 CYS 9 2HB CYS 9 6.596 -11.428 2.009 70 H ASN 10 H ASN 10 6.002 -11.878 -1.959 71 HA ASN 10 HA ASN 10 4.937 -14.293 -3.023 72 HB2 ASN 10 1HB ASN 10 6.007 -11.882 -4.049 73 HB3 ASN 10 2HB ASN 10 6.972 -13.191 -4.723 74 HD21 ASN 10 2HD2 ASN 10 6.248 -13.261 -6.758 75 HD22 ASN 10 1HD2 ASN 10 4.606 -13.550 -7.211 76 HA PRO 11 HA PRO 11 8.196 -17.142 -2.270 77 HB2 PRO 11 1HB PRO 11 7.902 -18.788 -4.409 78 HB3 PRO 11 2HB PRO 11 6.772 -18.768 -3.050 79 HG2 PRO 11 1HG PRO 11 6.534 -17.457 -5.731 80 HG3 PRO 11 2HG PRO 11 5.306 -18.338 -4.803 81 HD2 PRO 11 1HD PRO 11 5.415 -15.633 -4.875 82 HD3 PRO 11 2HD PRO 11 4.849 -16.528 -3.450 83 H SER 12 H SER 12 8.057 -15.357 -5.252 84 HA SER 12 HA SER 12 10.742 -16.153 -6.041 85 HB2 SER 12 1HB SER 12 8.441 -15.013 -7.366 86 HB3 SER 12 2HB SER 12 9.878 -14.042 -7.685 87 HG SER 12 HG SER 12 10.824 -16.311 -8.056 88 H ASN 13 H ASN 13 9.075 -13.463 -4.570 89 HA ASN 13 HA ASN 13 11.445 -11.772 -4.695 90 HB2 ASN 13 1HB ASN 13 8.649 -11.300 -3.652 91 HB3 ASN 13 2HB ASN 13 9.946 -10.119 -3.501 92 HD21 ASN 13 2HD2 ASN 13 10.082 -8.671 -5.048 93 HD22 ASN 13 1HD2 ASN 13 9.452 -8.828 -6.649 94 H ASP 14 H ASP 14 9.191 -12.625 -2.066 95 HA ASP 14 HA ASP 14 9.528 -13.115 0.130 96 HB2 ASP 14 1HB ASP 14 12.341 -13.859 -0.693 97 HB3 ASP 14 2HB ASP 14 11.480 -14.397 0.747 98 H GLN 15 H GLN 15 11.582 -10.932 -1.514 99 HA GLN 15 HA GLN 15 12.964 -9.892 0.755 100 HB2 GLN 15 1HB GLN 15 13.752 -9.676 -1.608 101 HB3 GLN 15 2HB GLN 15 12.444 -8.536 -1.894 102 HG2 GLN 15 1HG GLN 15 14.253 -7.161 -1.497 103 HG3 GLN 15 2HG GLN 15 13.454 -7.220 0.073 104 HE21 GLN 15 2HE2 GLN 15 14.971 -7.140 1.569 105 HE22 GLN 15 1HE2 GLN 15 16.413 -8.090 1.603 106 H CYS 16 H CYS 16 11.522 -9.345 2.357 107 HA CYS 16 HA CYS 16 9.132 -7.927 2.010 108 HB2 CYS 16 1HB CYS 16 10.269 -9.164 4.107 109 HB3 CYS 16 2HB CYS 16 10.653 -7.497 4.524 110 H CYS 17 H CYS 17 8.599 -5.745 2.369 111 HA CYS 17 HA CYS 17 10.152 -3.845 1.130 112 HB2 CYS 17 1HB CYS 17 7.657 -3.821 2.048 113 HB3 CYS 17 2HB CYS 17 8.409 -2.945 3.377 114 H LYS 18 H LYS 18 11.459 -2.129 1.850 115 HA LYS 18 HA LYS 18 13.173 -2.811 4.050 116 HB2 LYS 18 1HB LYS 18 13.150 -0.340 2.307 117 HB3 LYS 18 2HB LYS 18 14.443 -0.815 3.401 118 HG2 LYS 18 1HG LYS 18 13.532 -2.440 1.036 119 HG3 LYS 18 2HG LYS 18 14.901 -1.327 1.024 120 HD2 LYS 18 1HD LYS 18 14.662 -3.628 2.952 121 HD3 LYS 18 2HD LYS 18 15.469 -3.759 1.388 122 HE2 LYS 18 1HE LYS 18 16.772 -1.649 2.230 123 HE3 LYS 18 2HE LYS 18 16.265 -2.220 3.819 124 HZ1 LYS 18 3HZ LYS 18 17.942 -3.643 3.764 125 HZ2 LYS 18 1HZ LYS 18 18.360 -3.169 2.195 126 HZ3 LYS 18 2HZ LYS 18 17.246 -4.419 2.432 127 H SER 19 H SER 19 10.235 -1.329 3.919 128 HA SER 19 HA SER 19 10.494 0.915 5.571 129 HB2 SER 19 1HB SER 19 8.401 0.828 4.619 130 HB3 SER 19 2HB SER 19 8.261 -0.917 4.829 131 HG SER 19 HG SER 19 7.844 1.136 6.718 132 H SER 20 H SER 20 10.738 -2.425 6.284 133 HA SER 20 HA SER 20 11.417 -1.889 9.013 134 HB2 SER 20 1HB SER 20 9.574 -3.757 9.645 135 HB3 SER 20 2HB SER 20 9.262 -2.025 9.746 136 HG SER 20 HG SER 20 7.819 -2.269 8.254 137 H LYS 21 H LYS 21 12.491 -3.609 10.000 138 HA LYS 21 HA LYS 21 13.644 -5.506 8.185 139 HB2 LYS 21 1HB LYS 21 14.703 -4.307 10.260 140 HB3 LYS 21 2HB LYS 21 14.003 -5.648 11.157 141 HG2 LYS 21 1HG LYS 21 15.971 -6.630 10.734 142 HG3 LYS 21 2HG LYS 21 15.243 -6.985 9.166 143 HD2 LYS 21 1HD LYS 21 16.598 -4.364 9.484 144 HD3 LYS 21 2HD LYS 21 17.618 -5.803 9.405 145 HE2 LYS 21 1HE LYS 21 15.503 -5.073 7.381 146 HE3 LYS 21 2HE LYS 21 17.226 -4.746 7.196 147 HZ1 LYS 21 3HZ LYS 21 16.894 -6.726 6.057 148 HZ2 LYS 21 1HZ LYS 21 15.840 -7.353 7.222 149 HZ3 LYS 21 2HZ LYS 21 17.495 -7.245 7.551 150 H LEU 22 H LEU 22 11.371 -6.380 7.750 151 HA LEU 22 HA LEU 22 10.577 -8.380 9.743 152 HB2 LEU 22 1HB LEU 22 9.154 -7.404 7.271 153 HB3 LEU 22 2HB LEU 22 8.524 -8.598 8.404 154 HG LEU 22 HG LEU 22 9.118 -5.719 9.084 155 HD11 LEU 22 1HD1 LEU 22 6.557 -5.686 9.265 156 HD12 LEU 22 2HD1 LEU 22 6.608 -7.121 8.241 157 HD13 LEU 22 3HD1 LEU 22 7.282 -5.599 7.660 158 HD21 LEU 22 3HD2 LEU 22 7.829 -7.964 10.626 159 HD22 LEU 22 1HD2 LEU 22 7.764 -6.268 11.105 160 HD23 LEU 22 2HD2 LEU 22 9.316 -7.103 11.025 161 H VAL 23 H VAL 23 10.273 -10.562 9.171 162 HA VAL 23 HA VAL 23 11.546 -11.392 6.648 163 HB VAL 23 HB VAL 23 12.385 -13.418 7.931 164 HG11 VAL 23 1HG1 VAL 23 14.207 -12.202 7.462 165 HG12 VAL 23 2HG1 VAL 23 13.428 -10.685 7.916 166 HG13 VAL 23 3HG1 VAL 23 14.137 -11.720 9.157 167 HG21 VAL 23 3HG2 VAL 23 12.456 -13.441 10.246 168 HG22 VAL 23 1HG2 VAL 23 12.189 -11.702 10.373 169 HG23 VAL 23 2HG2 VAL 23 10.857 -12.768 9.927 170 H CYS 24 H CYS 24 10.735 -13.253 5.674 171 HA CYS 24 HA CYS 24 8.430 -14.554 6.921 172 HB2 CYS 24 1HB CYS 24 7.007 -14.252 5.027 173 HB3 CYS 24 2HB CYS 24 7.633 -12.663 5.453 174 H SER 25 H SER 25 11.324 -15.073 5.926 175 HA SER 25 HA SER 25 11.273 -16.890 3.811 176 HB2 SER 25 1HB SER 25 13.416 -16.209 4.428 177 HB3 SER 25 2HB SER 25 13.116 -16.481 6.145 178 HG SER 25 HG SER 25 13.089 -18.640 4.341 179 H ARG 26 H ARG 26 11.834 -17.922 7.164 180 HA ARG 26 HA ARG 26 10.453 -20.427 6.574 181 HB2 ARG 26 1HB ARG 26 11.885 -19.773 9.139 182 HB3 ARG 26 2HB ARG 26 11.562 -21.353 8.436 183 HG2 ARG 26 1HG ARG 26 13.179 -20.963 6.696 184 HG3 ARG 26 2HG ARG 26 13.435 -19.311 7.261 185 HD2 ARG 26 1HD ARG 26 14.539 -20.011 9.188 186 HD3 ARG 26 2HD ARG 26 13.872 -21.640 9.091 187 HE ARG 26 HE ARG 26 15.577 -22.226 7.669 188 HH11 ARG 26 1HH1 ARG 26 15.490 -18.764 8.022 189 HH12 ARG 26 2HH1 ARG 26 16.997 -18.512 7.205 190 HH21 ARG 26 1HH2 ARG 26 17.562 -21.908 6.592 191 HH22 ARG 26 2HH2 ARG 26 18.174 -20.301 6.391 192 H LYS 27 H LYS 27 9.974 -17.470 8.232 193 HA LYS 27 HA LYS 27 8.174 -18.315 10.237 194 HB2 LYS 27 1HB LYS 27 8.255 -15.634 8.843 195 HB3 LYS 27 2HB LYS 27 7.540 -15.978 10.412 196 HG2 LYS 27 1HG LYS 27 10.452 -16.455 9.897 197 HG3 LYS 27 2HG LYS 27 9.842 -14.859 10.339 198 HD2 LYS 27 1HD LYS 27 8.739 -15.991 12.326 199 HD3 LYS 27 2HD LYS 27 9.713 -17.410 11.932 200 HE2 LYS 27 1HE LYS 27 11.064 -14.767 12.191 201 HE3 LYS 27 2HE LYS 27 10.555 -15.603 13.657 202 HZ1 LYS 27 3HZ LYS 27 12.775 -16.138 11.967 203 HZ2 LYS 27 1HZ LYS 27 11.798 -17.512 12.116 204 HZ3 LYS 27 2HZ LYS 27 12.421 -16.763 13.499 205 H THR 28 H THR 28 5.887 -16.856 9.964 206 HA THR 28 HA THR 28 4.240 -18.534 8.448 207 HB THR 28 HB THR 28 2.625 -16.426 8.687 208 HG1 THR 28 HG1 THR 28 4.488 -15.144 9.448 209 HG21 THR 28 3HG2 THR 28 1.860 -18.153 9.932 210 HG22 THR 28 1HG2 THR 28 2.559 -17.237 11.266 211 HG23 THR 28 2HG2 THR 28 3.464 -18.563 10.538 212 H ARG 29 H ARG 29 2.680 -17.682 6.742 213 HA ARG 29 HA ARG 29 4.104 -17.024 4.427 214 HB2 ARG 29 1HB ARG 29 1.210 -17.154 5.151 215 HB3 ARG 29 2HB ARG 29 1.660 -16.392 3.631 216 HG2 ARG 29 1HG ARG 29 2.857 -18.458 2.994 217 HG3 ARG 29 2HG ARG 29 2.278 -19.212 4.481 218 HD2 ARG 29 1HD ARG 29 0.588 -18.151 2.220 219 HD3 ARG 29 2HD ARG 29 0.862 -19.845 2.622 220 HE ARG 29 HE ARG 29 -1.027 -18.091 3.826 221 HH11 ARG 29 1HH1 ARG 29 1.086 -20.779 4.479 222 HH12 ARG 29 2HH1 ARG 29 0.133 -21.377 5.796 223 HH21 ARG 29 1HH2 ARG 29 -2.290 -18.868 5.559 224 HH22 ARG 29 2HH2 ARG 29 -1.788 -20.290 6.409 225 H TRP 30 H TRP 30 2.874 -15.035 6.927 226 HA TRP 30 HA TRP 30 3.104 -12.632 5.252 227 HB2 TRP 30 1HB TRP 30 1.949 -11.476 7.128 228 HB3 TRP 30 2HB TRP 30 0.999 -12.787 6.436 229 HD1 TRP 30 HD1 TRP 30 2.828 -11.773 9.626 230 HE1 TRP 30 HE1 TRP 30 2.147 -13.378 11.519 231 HE3 TRP 30 HE3 TRP 30 0.197 -15.191 6.883 232 HZ2 TRP 30 HZ2 TRP 30 0.688 -15.777 11.810 233 HZ3 TRP 30 HZ3 TRP 30 -0.810 -17.112 8.045 234 HH2 TRP 30 HH2 TRP 30 -0.568 -17.398 10.457 235 H CYS 31 H CYS 31 4.484 -10.962 5.785 236 HA CYS 31 HA CYS 31 6.915 -11.619 7.007 237 HB2 CYS 31 1HB CYS 31 5.657 -9.150 5.956 238 HB3 CYS 31 2HB CYS 31 6.977 -8.922 7.099 239 H LYS 32 H LYS 32 7.624 -11.558 9.046 240 HA LYS 32 HA LYS 32 6.022 -10.125 11.053 241 HB2 LYS 32 1HB LYS 32 7.087 -12.944 11.227 242 HB3 LYS 32 2HB LYS 32 6.550 -12.033 12.632 243 HG2 LYS 32 1HG LYS 32 4.344 -11.748 11.344 244 HG3 LYS 32 2HG LYS 32 4.938 -13.068 10.334 245 HD2 LYS 32 1HD LYS 32 3.831 -14.301 11.893 246 HD3 LYS 32 2HD LYS 32 5.384 -14.162 12.720 247 HE2 LYS 32 1HE LYS 32 4.497 -12.166 13.912 248 HE3 LYS 32 2HE LYS 32 2.928 -12.470 13.167 249 HZ1 LYS 32 3HZ LYS 32 4.200 -14.662 14.629 250 HZ2 LYS 32 1HZ LYS 32 2.559 -14.286 14.459 251 HZ3 LYS 32 2HZ LYS 32 3.523 -13.402 15.531 252 H TYR 33 H TYR 33 7.167 -9.348 12.861 253 HA TYR 33 HA TYR 33 9.834 -8.536 12.305 254 HB2 TYR 33 1HB TYR 33 9.728 -7.618 14.664 255 HB3 TYR 33 2HB TYR 33 8.482 -7.037 13.565 256 HD1 TYR 33 HD1 TYR 33 9.035 -9.755 16.070 257 HD2 TYR 33 HD2 TYR 33 6.295 -7.019 14.308 258 HE1 TYR 33 HE1 TYR 33 7.305 -10.469 17.666 259 HE2 TYR 33 HE2 TYR 33 4.558 -7.724 15.899 260 HH TYR 33 HH TYR 33 4.076 -9.821 17.287 261 H GLN 34 H GLN 34 11.747 -9.047 13.424 262 HA GLN 34 HA GLN 34 11.871 -11.806 14.299 263 HB2 GLN 34 1HB GLN 34 13.555 -10.445 12.781 264 HB3 GLN 34 2HB GLN 34 14.250 -10.004 14.334 265 HG2 GLN 34 1HG GLN 34 14.901 -12.162 14.810 266 HG3 GLN 34 2HG GLN 34 13.717 -12.871 13.713 267 HE21 GLN 34 2HE2 GLN 34 16.814 -11.300 13.967 268 HE22 GLN 34 1HE2 GLN 34 17.385 -11.728 12.394 269 H ILE 35 H ILE 35 10.983 -11.939 16.320 270 HA ILE 35 HA ILE 35 11.359 -10.107 18.410 271 HB ILE 35 HB ILE 35 9.572 -11.796 18.416 272 HG12 ILE 35 1HG1 ILE 35 9.810 -12.483 20.810 273 HG13 ILE 35 2HG1 ILE 35 11.476 -11.918 20.763 274 HG21 ILE 35 1HG2 ILE 35 11.138 -13.989 19.471 275 HG22 ILE 35 2HG2 ILE 35 9.937 -13.979 18.180 276 HG23 ILE 35 3HG2 ILE 35 11.616 -13.574 17.825 277 HD11 ILE 35 3HD1 ILE 35 9.864 -9.814 19.811 278 HD12 ILE 35 1HD1 ILE 35 9.098 -10.446 21.268 279 HD13 ILE 35 2HD1 ILE 35 10.775 -9.901 21.318 Start of MODEL 8 1 H1 GLU 1 H GLU 1 3.174 1.062 0.247 2 HA GLU 1 HA GLU 1 0.809 -0.603 0.053 3 HB2 GLU 1 1HB GLU 1 2.801 0.414 -1.966 4 HB3 GLU 1 2HB GLU 1 1.546 -0.741 -2.390 5 HG2 GLU 1 1HG GLU 1 0.777 1.785 -1.018 6 HG3 GLU 1 2HG GLU 1 1.189 1.826 -2.732 7 H CYS 2 H CYS 2 4.304 -0.963 -0.489 8 HA CYS 2 HA CYS 2 4.388 -3.610 -1.258 9 HB2 CYS 2 1HB CYS 2 6.683 -3.628 -0.173 10 HB3 CYS 2 2HB CYS 2 6.399 -2.348 -1.348 11 H LEU 3 H LEU 3 4.687 -5.575 -0.162 12 HA LEU 3 HA LEU 3 3.086 -5.965 2.107 13 HB2 LEU 3 1HB LEU 3 4.250 -8.222 2.185 14 HB3 LEU 3 2HB LEU 3 3.373 -7.815 0.711 15 HG LEU 3 HG LEU 3 5.962 -6.978 0.194 16 HD11 LEU 3 1HD1 LEU 3 5.959 -9.247 2.081 17 HD12 LEU 3 2HD1 LEU 3 7.197 -8.033 1.762 18 HD13 LEU 3 3HD1 LEU 3 7.001 -9.401 0.667 19 HD21 LEU 3 3HD2 LEU 3 5.774 -9.497 -0.912 20 HD22 LEU 3 1HD2 LEU 3 5.184 -7.998 -1.630 21 HD23 LEU 3 2HD2 LEU 3 4.090 -9.017 -0.693 22 H GLU 4 H GLU 4 3.684 -4.681 3.823 23 HA GLU 4 HA GLU 4 6.405 -4.849 4.847 24 HB2 GLU 4 1HB GLU 4 4.008 -3.191 5.616 25 HB3 GLU 4 2HB GLU 4 5.485 -3.208 6.569 26 HG2 GLU 4 1HG GLU 4 6.667 -2.582 4.381 27 HG3 GLU 4 2HG GLU 4 5.055 -2.177 3.793 28 H ILE 5 H ILE 5 3.896 -4.403 7.144 29 HA ILE 5 HA ILE 5 4.703 -6.842 8.512 30 HB ILE 5 HB ILE 5 4.522 -4.665 9.732 31 HG12 ILE 5 1HG1 ILE 5 2.783 -5.856 11.480 32 HG13 ILE 5 2HG1 ILE 5 3.296 -7.226 10.502 33 HG21 ILE 5 1HG2 ILE 5 1.610 -4.908 10.006 34 HG22 ILE 5 2HG2 ILE 5 2.624 -3.472 9.875 35 HG23 ILE 5 3HG2 ILE 5 2.167 -4.363 8.424 36 HD11 ILE 5 3HD1 ILE 5 5.448 -7.125 11.243 37 HD12 ILE 5 1HD1 ILE 5 5.375 -5.393 11.565 38 HD13 ILE 5 2HD1 ILE 5 4.596 -6.529 12.667 39 H PHE 6 H PHE 6 3.375 -8.545 8.985 40 HA PHE 6 HA PHE 6 1.711 -10.057 8.626 41 HB2 PHE 6 1HB PHE 6 -0.047 -7.596 8.710 42 HB3 PHE 6 2HB PHE 6 -0.574 -9.256 8.964 43 HD1 PHE 6 HD1 PHE 6 0.869 -10.511 10.855 44 HD2 PHE 6 HD2 PHE 6 0.238 -6.311 10.579 45 HE1 PHE 6 HE1 PHE 6 1.323 -10.289 13.263 46 HE2 PHE 6 HE2 PHE 6 0.692 -6.081 12.986 47 HZ PHE 6 HZ PHE 6 1.236 -8.071 14.331 48 H LYS 7 H LYS 7 2.911 -8.495 6.298 49 HA LYS 7 HA LYS 7 0.765 -8.836 4.328 50 HB2 LYS 7 1HB LYS 7 3.483 -7.552 3.998 51 HB3 LYS 7 2HB LYS 7 2.192 -7.567 2.803 52 HG2 LYS 7 1HG LYS 7 2.420 -6.004 5.328 53 HG3 LYS 7 2HG LYS 7 1.964 -5.472 3.708 54 HD2 LYS 7 1HD LYS 7 -0.140 -6.837 3.980 55 HD3 LYS 7 2HD LYS 7 0.306 -7.039 5.676 56 HE2 LYS 7 1HE LYS 7 0.164 -4.699 6.075 57 HE3 LYS 7 2HE LYS 7 0.033 -4.348 4.352 58 HZ1 LYS 7 3HZ LYS 7 -2.133 -4.182 5.128 59 HZ2 LYS 7 1HZ LYS 7 -1.991 -5.522 6.151 60 HZ3 LYS 7 2HZ LYS 7 -2.088 -5.743 4.477 61 H ALA 8 H ALA 8 0.764 -10.471 2.917 62 HA ALA 8 HA ALA 8 2.537 -12.642 3.178 63 HB1 ALA 8 1HB ALA 8 1.357 -13.645 1.366 64 HB2 ALA 8 2HB ALA 8 0.184 -12.754 2.336 65 HB3 ALA 8 3HB ALA 8 0.761 -12.080 0.812 66 H CYS 9 H CYS 9 4.307 -13.279 2.039 67 HA CYS 9 HA CYS 9 5.407 -11.320 0.139 68 HB2 CYS 9 1HB CYS 9 7.618 -12.349 0.697 69 HB3 CYS 9 2HB CYS 9 6.828 -11.572 2.065 70 H ASN 10 H ASN 10 5.624 -11.886 -1.923 71 HA ASN 10 HA ASN 10 4.776 -14.435 -2.852 72 HB2 ASN 10 1HB ASN 10 5.381 -13.594 -5.081 73 HB3 ASN 10 2HB ASN 10 4.451 -12.399 -4.181 74 HD21 ASN 10 2HD2 ASN 10 5.778 -11.470 -6.253 75 HD22 ASN 10 1HD2 ASN 10 7.189 -10.594 -5.776 76 HA PRO 11 HA PRO 11 8.513 -16.744 -2.805 77 HB2 PRO 11 1HB PRO 11 8.099 -18.387 -4.926 78 HB3 PRO 11 2HB PRO 11 7.239 -18.564 -3.391 79 HG2 PRO 11 1HG PRO 11 6.330 -17.273 -5.934 80 HG3 PRO 11 2HG PRO 11 5.436 -18.348 -4.844 81 HD2 PRO 11 1HD PRO 11 5.116 -15.659 -4.824 82 HD3 PRO 11 2HD PRO 11 4.956 -16.651 -3.360 83 H SER 12 H SER 12 7.640 -14.775 -5.476 84 HA SER 12 HA SER 12 9.860 -15.289 -7.165 85 HB2 SER 12 1HB SER 12 8.980 -12.600 -7.509 86 HB3 SER 12 2HB SER 12 8.643 -13.997 -8.530 87 HG SER 12 HG SER 12 6.673 -13.402 -7.885 88 H ASN 13 H ASN 13 9.191 -12.569 -4.955 89 HA ASN 13 HA ASN 13 12.058 -11.943 -4.957 90 HB2 ASN 13 1HB ASN 13 10.144 -10.215 -5.437 91 HB3 ASN 13 2HB ASN 13 9.987 -10.190 -3.683 92 HD21 ASN 13 2HD2 ASN 13 10.567 -7.900 -4.133 93 HD22 ASN 13 1HD2 ASN 13 12.246 -7.492 -4.151 94 H ASP 14 H ASP 14 9.317 -12.361 -2.735 95 HA ASP 14 HA ASP 14 9.206 -13.038 -0.566 96 HB2 ASP 14 1HB ASP 14 11.534 -14.412 -1.662 97 HB3 ASP 14 2HB ASP 14 11.662 -14.152 0.075 98 H GLN 15 H GLN 15 11.738 -11.011 -1.642 99 HA GLN 15 HA GLN 15 12.837 -10.309 0.885 100 HB2 GLN 15 1HB GLN 15 12.859 -8.891 -1.781 101 HB3 GLN 15 2HB GLN 15 13.743 -8.325 -0.369 102 HG2 GLN 15 1HG GLN 15 14.958 -10.488 -0.334 103 HG3 GLN 15 2HG GLN 15 14.149 -10.918 -1.840 104 HE21 GLN 15 2HE2 GLN 15 17.004 -10.142 -0.855 105 HE22 GLN 15 1HE2 GLN 15 17.559 -9.095 -2.112 106 H CYS 16 H CYS 16 11.506 -9.550 2.418 107 HA CYS 16 HA CYS 16 9.170 -8.066 1.998 108 HB2 CYS 16 1HB CYS 16 10.233 -9.286 4.142 109 HB3 CYS 16 2HB CYS 16 10.663 -7.622 4.527 110 H CYS 17 H CYS 17 8.698 -5.864 2.265 111 HA CYS 17 HA CYS 17 10.347 -4.045 1.025 112 HB2 CYS 17 1HB CYS 17 7.824 -3.924 1.853 113 HB3 CYS 17 2HB CYS 17 8.555 -3.031 3.183 114 H LYS 18 H LYS 18 11.735 -2.407 1.711 115 HA LYS 18 HA LYS 18 13.258 -3.041 4.077 116 HB2 LYS 18 1HB LYS 18 13.565 -0.881 1.986 117 HB3 LYS 18 2HB LYS 18 14.682 -1.114 3.325 118 HG2 LYS 18 1HG LYS 18 14.067 -3.345 1.426 119 HG3 LYS 18 2HG LYS 18 15.274 -2.117 1.039 120 HD2 LYS 18 1HD LYS 18 16.418 -2.649 3.181 121 HD3 LYS 18 2HD LYS 18 15.262 -3.959 3.429 122 HE2 LYS 18 1HE LYS 18 16.077 -5.173 1.596 123 HE3 LYS 18 2HE LYS 18 16.917 -3.772 0.932 124 HZ1 LYS 18 3HZ LYS 18 17.689 -5.487 3.199 125 HZ2 LYS 18 1HZ LYS 18 18.260 -3.897 3.108 126 HZ3 LYS 18 2HZ LYS 18 18.613 -4.994 1.870 127 H SER 19 H SER 19 10.475 -1.381 3.629 128 HA SER 19 HA SER 19 10.825 1.024 5.020 129 HB2 SER 19 1HB SER 19 8.278 0.527 5.605 130 HB3 SER 19 2HB SER 19 8.777 0.965 3.972 131 HG SER 19 HG SER 19 8.549 -1.710 4.884 132 H SER 20 H SER 20 10.623 -2.244 6.127 133 HA SER 20 HA SER 20 11.269 -1.429 8.813 134 HB2 SER 20 1HB SER 20 8.572 -2.525 8.117 135 HB3 SER 20 2HB SER 20 9.304 -2.970 9.658 136 HG SER 20 HG SER 20 7.956 -0.833 9.217 137 H LYS 21 H LYS 21 12.089 -3.125 10.087 138 HA LYS 21 HA LYS 21 13.290 -5.242 8.593 139 HB2 LYS 21 1HB LYS 21 13.324 -4.358 11.448 140 HB3 LYS 21 2HB LYS 21 13.902 -5.972 11.057 141 HG2 LYS 21 1HG LYS 21 14.936 -3.490 9.714 142 HG3 LYS 21 2HG LYS 21 15.653 -4.175 11.174 143 HD2 LYS 21 1HD LYS 21 15.694 -6.377 9.764 144 HD3 LYS 21 2HD LYS 21 15.584 -5.270 8.394 145 HE2 LYS 21 1HE LYS 21 17.892 -5.681 8.767 146 HE3 LYS 21 2HE LYS 21 17.561 -4.052 9.353 147 HZ1 LYS 21 3HZ LYS 21 17.906 -6.507 10.982 148 HZ2 LYS 21 1HZ LYS 21 17.356 -5.037 11.612 149 HZ3 LYS 21 2HZ LYS 21 18.909 -5.145 10.952 150 H LEU 22 H LEU 22 11.906 -6.751 7.829 151 HA LEU 22 HA LEU 22 10.477 -8.353 9.822 152 HB2 LEU 22 1HB LEU 22 9.254 -7.482 7.209 153 HB3 LEU 22 2HB LEU 22 8.500 -8.491 8.441 154 HG LEU 22 HG LEU 22 9.355 -5.741 9.196 155 HD11 LEU 22 1HD1 LEU 22 6.643 -5.709 8.290 156 HD12 LEU 22 2HD1 LEU 22 7.702 -6.194 6.967 157 HD13 LEU 22 3HD1 LEU 22 7.990 -4.675 7.815 158 HD21 LEU 22 3HD2 LEU 22 8.415 -7.394 10.812 159 HD22 LEU 22 1HD2 LEU 22 6.908 -7.355 9.896 160 HD23 LEU 22 2HD2 LEU 22 7.494 -5.894 10.692 161 H VAL 23 H VAL 23 10.163 -10.532 9.245 162 HA VAL 23 HA VAL 23 11.538 -11.425 6.803 163 HB VAL 23 HB VAL 23 12.395 -13.392 8.136 164 HG11 VAL 23 1HG1 VAL 23 13.869 -11.603 7.420 165 HG12 VAL 23 2HG1 VAL 23 13.433 -10.648 8.839 166 HG13 VAL 23 3HG1 VAL 23 14.325 -12.158 9.031 167 HG21 VAL 23 3HG2 VAL 23 10.821 -12.258 10.146 168 HG22 VAL 23 1HG2 VAL 23 11.931 -13.619 10.299 169 HG23 VAL 23 2HG2 VAL 23 12.489 -11.983 10.647 170 H CYS 24 H CYS 24 10.784 -13.355 5.896 171 HA CYS 24 HA CYS 24 8.485 -14.655 7.135 172 HB2 CYS 24 1HB CYS 24 7.052 -14.394 5.235 173 HB3 CYS 24 2HB CYS 24 7.632 -12.791 5.675 174 H SER 25 H SER 25 11.335 -15.257 6.340 175 HA SER 25 HA SER 25 11.368 -17.021 4.154 176 HB2 SER 25 1HB SER 25 13.116 -16.728 6.588 177 HB3 SER 25 2HB SER 25 13.408 -17.998 5.400 178 HG SER 25 HG SER 25 13.505 -16.297 3.810 179 H ARG 26 H ARG 26 11.783 -18.085 7.519 180 HA ARG 26 HA ARG 26 10.375 -20.560 6.849 181 HB2 ARG 26 1HB ARG 26 11.958 -19.879 9.334 182 HB3 ARG 26 2HB ARG 26 11.350 -21.467 8.883 183 HG2 ARG 26 1HG ARG 26 13.218 -20.012 7.064 184 HG3 ARG 26 2HG ARG 26 13.837 -20.876 8.473 185 HD2 ARG 26 1HD ARG 26 11.935 -22.273 6.657 186 HD3 ARG 26 2HD ARG 26 13.603 -22.059 6.129 187 HE ARG 26 HE ARG 26 12.648 -23.837 8.168 188 HH11 ARG 26 1HH1 ARG 26 15.387 -22.015 7.030 189 HH12 ARG 26 2HH1 ARG 26 16.554 -23.038 7.800 190 HH21 ARG 26 1HH2 ARG 26 14.174 -25.192 9.187 191 HH22 ARG 26 2HH2 ARG 26 15.863 -24.846 9.027 192 H LYS 27 H LYS 27 9.953 -17.630 8.569 193 HA LYS 27 HA LYS 27 8.111 -18.480 10.536 194 HB2 LYS 27 1HB LYS 27 9.375 -16.126 9.958 195 HB3 LYS 27 2HB LYS 27 7.725 -15.767 9.465 196 HG2 LYS 27 1HG LYS 27 7.527 -15.156 11.621 197 HG3 LYS 27 2HG LYS 27 7.237 -16.882 11.850 198 HD2 LYS 27 1HD LYS 27 8.835 -16.267 13.480 199 HD3 LYS 27 2HD LYS 27 9.731 -17.117 12.219 200 HE2 LYS 27 1HE LYS 27 11.006 -15.200 12.806 201 HE3 LYS 27 2HE LYS 27 10.277 -14.872 11.235 202 HZ1 LYS 27 3HZ LYS 27 9.996 -13.439 13.659 203 HZ2 LYS 27 1HZ LYS 27 8.478 -13.966 13.127 204 HZ3 LYS 27 2HZ LYS 27 9.452 -13.029 12.110 205 H THR 28 H THR 28 5.893 -16.856 10.222 206 HA THR 28 HA THR 28 4.178 -18.471 8.712 207 HB THR 28 HB THR 28 2.623 -16.368 8.894 208 HG1 THR 28 HG1 THR 28 4.411 -15.691 10.970 209 HG21 THR 28 3HG2 THR 28 1.895 -17.926 10.352 210 HG22 THR 28 1HG2 THR 28 2.698 -16.920 11.557 211 HG23 THR 28 2HG2 THR 28 3.525 -18.329 10.891 212 H ARG 29 H ARG 29 2.760 -17.692 6.914 213 HA ARG 29 HA ARG 29 4.281 -17.074 4.650 214 HB2 ARG 29 1HB ARG 29 1.361 -17.227 5.248 215 HB3 ARG 29 2HB ARG 29 1.864 -16.484 3.735 216 HG2 ARG 29 1HG ARG 29 3.111 -18.539 3.177 217 HG3 ARG 29 2HG ARG 29 2.496 -19.279 4.657 218 HD2 ARG 29 1HD ARG 29 0.171 -18.584 3.684 219 HD3 ARG 29 2HD ARG 29 1.045 -18.542 2.154 220 HE ARG 29 HE ARG 29 1.688 -20.960 3.256 221 HH11 ARG 29 1HH1 ARG 29 -1.272 -19.334 2.409 222 HH12 ARG 29 2HH1 ARG 29 -2.132 -20.798 2.069 223 HH21 ARG 29 1HH2 ARG 29 0.566 -22.895 2.810 224 HH22 ARG 29 2HH2 ARG 29 -1.086 -22.824 2.298 225 H TRP 30 H TRP 30 2.919 -15.041 7.044 226 HA TRP 30 HA TRP 30 3.166 -12.675 5.324 227 HB2 TRP 30 1HB TRP 30 1.932 -11.486 7.084 228 HB3 TRP 30 2HB TRP 30 1.045 -12.904 6.531 229 HD1 TRP 30 HD1 TRP 30 3.016 -11.606 9.559 230 HE1 TRP 30 HE1 TRP 30 2.386 -13.027 11.611 231 HE3 TRP 30 HE3 TRP 30 0.162 -15.158 7.241 232 HZ2 TRP 30 HZ2 TRP 30 0.879 -15.347 12.172 233 HZ3 TRP 30 HZ3 TRP 30 -0.837 -16.944 8.607 234 HH2 TRP 30 HH2 TRP 30 -0.484 -17.035 11.021 235 H CYS 31 H CYS 31 4.510 -10.969 5.842 236 HA CYS 31 HA CYS 31 6.939 -11.564 7.098 237 HB2 CYS 31 1HB CYS 31 5.643 -9.096 6.054 238 HB3 CYS 31 2HB CYS 31 7.022 -8.894 7.130 239 H LYS 32 H LYS 32 7.580 -11.535 9.152 240 HA LYS 32 HA LYS 32 5.956 -10.064 11.116 241 HB2 LYS 32 1HB LYS 32 6.760 -12.924 11.095 242 HB3 LYS 32 2HB LYS 32 6.826 -12.089 12.641 243 HG2 LYS 32 1HG LYS 32 4.382 -11.333 11.781 244 HG3 LYS 32 2HG LYS 32 4.511 -12.930 11.041 245 HD2 LYS 32 1HD LYS 32 3.527 -13.285 13.155 246 HD3 LYS 32 2HD LYS 32 5.214 -13.773 13.331 247 HE2 LYS 32 1HE LYS 32 4.910 -12.502 15.225 248 HE3 LYS 32 2HE LYS 32 5.546 -11.301 14.103 249 HZ1 LYS 32 3HZ LYS 32 3.575 -10.229 13.988 250 HZ2 LYS 32 1HZ LYS 32 3.364 -10.904 15.524 251 HZ3 LYS 32 2HZ LYS 32 2.651 -11.633 14.175 252 H TYR 33 H TYR 33 7.070 -9.255 12.931 253 HA TYR 33 HA TYR 33 9.732 -8.415 12.398 254 HB2 TYR 33 1HB TYR 33 9.583 -7.504 14.771 255 HB3 TYR 33 2HB TYR 33 8.378 -6.913 13.632 256 HD1 TYR 33 HD1 TYR 33 8.823 -9.651 16.140 257 HD2 TYR 33 HD2 TYR 33 6.173 -6.866 14.316 258 HE1 TYR 33 HE1 TYR 33 7.037 -10.354 17.677 259 HE2 TYR 33 HE2 TYR 33 4.380 -7.560 15.850 260 HH TYR 33 HH TYR 33 3.871 -8.765 17.663 261 H GLN 34 H GLN 34 11.640 -8.892 13.542 262 HA GLN 34 HA GLN 34 11.950 -11.638 14.223 263 HB2 GLN 34 1HB GLN 34 13.792 -9.259 14.375 264 HB3 GLN 34 2HB GLN 34 14.287 -10.863 14.899 265 HG2 GLN 34 1HG GLN 34 13.808 -11.720 12.642 266 HG3 GLN 34 2HG GLN 34 13.400 -10.082 12.132 267 HE21 GLN 34 2HE2 GLN 34 15.088 -10.418 10.548 268 HE22 GLN 34 1HE2 GLN 34 16.734 -10.137 10.991 269 H ILE 35 H ILE 35 11.668 -12.602 16.118 270 HA ILE 35 HA ILE 35 10.841 -11.147 18.420 271 HB ILE 35 HB ILE 35 11.697 -14.039 18.329 272 HG12 ILE 35 1HG1 ILE 35 10.039 -13.659 16.587 273 HG13 ILE 35 2HG1 ILE 35 9.307 -14.545 17.921 274 HG21 ILE 35 1HG2 ILE 35 11.420 -13.593 20.555 275 HG22 ILE 35 2HG2 ILE 35 10.227 -12.328 20.267 276 HG23 ILE 35 3HG2 ILE 35 9.766 -14.023 20.121 277 HD11 ILE 35 3HD1 ILE 35 9.011 -11.606 17.354 278 HD12 ILE 35 1HD1 ILE 35 7.795 -12.857 17.098 279 HD13 ILE 35 2HD1 ILE 35 8.315 -12.454 18.735 Start of MODEL 9 1 H1 GLU 1 H GLU 1 1.278 1.047 -2.593 2 HA GLU 1 HA GLU 1 3.046 1.024 -0.358 3 HB2 GLU 1 1HB GLU 1 0.364 -0.108 -0.981 4 HB3 GLU 1 2HB GLU 1 1.260 -0.827 0.350 5 HG2 GLU 1 1HG GLU 1 0.132 0.761 1.498 6 HG3 GLU 1 2HG GLU 1 1.549 1.707 1.046 7 H CYS 2 H CYS 2 3.364 -1.220 0.784 8 HA CYS 2 HA CYS 2 4.040 -3.355 -1.064 9 HB2 CYS 2 1HB CYS 2 6.387 -3.466 -0.030 10 HB3 CYS 2 2HB CYS 2 6.093 -2.219 -1.237 11 H LEU 3 H LEU 3 4.428 -5.365 -0.032 12 HA LEU 3 HA LEU 3 2.892 -5.819 2.275 13 HB2 LEU 3 1HB LEU 3 4.030 -8.083 2.242 14 HB3 LEU 3 2HB LEU 3 3.125 -7.621 0.802 15 HG LEU 3 HG LEU 3 5.722 -6.794 0.270 16 HD11 LEU 3 1HD1 LEU 3 6.208 -9.588 0.901 17 HD12 LEU 3 2HD1 LEU 3 5.958 -8.597 2.338 18 HD13 LEU 3 3HD1 LEU 3 7.218 -8.169 1.181 19 HD21 LEU 3 3HD2 LEU 3 5.440 -9.272 -0.933 20 HD22 LEU 3 1HD2 LEU 3 4.921 -7.720 -1.590 21 HD23 LEU 3 2HD2 LEU 3 3.782 -8.721 -0.690 22 H GLU 4 H GLU 4 3.563 -4.584 4.003 23 HA GLU 4 HA GLU 4 6.317 -4.803 4.924 24 HB2 GLU 4 1HB GLU 4 3.964 -3.138 5.800 25 HB3 GLU 4 2HB GLU 4 5.453 -3.210 6.732 26 HG2 GLU 4 1HG GLU 4 6.690 -2.415 4.747 27 HG3 GLU 4 2HG GLU 4 5.154 -2.246 3.898 28 H ILE 5 H ILE 5 3.895 -4.399 7.320 29 HA ILE 5 HA ILE 5 4.727 -6.881 8.592 30 HB ILE 5 HB ILE 5 4.612 -4.744 9.881 31 HG12 ILE 5 1HG1 ILE 5 2.940 -5.934 11.668 32 HG13 ILE 5 2HG1 ILE 5 3.324 -7.296 10.621 33 HG21 ILE 5 1HG2 ILE 5 1.712 -4.940 10.254 34 HG22 ILE 5 2HG2 ILE 5 2.744 -3.520 10.095 35 HG23 ILE 5 3HG2 ILE 5 2.211 -4.387 8.655 36 HD11 ILE 5 3HD1 ILE 5 5.507 -7.341 11.254 37 HD12 ILE 5 1HD1 ILE 5 5.562 -5.613 11.596 38 HD13 ILE 5 2HD1 ILE 5 4.780 -6.712 12.732 39 H PHE 6 H PHE 6 3.406 -8.590 9.054 40 HA PHE 6 HA PHE 6 1.710 -10.074 8.733 41 HB2 PHE 6 1HB PHE 6 -0.012 -7.591 8.901 42 HB3 PHE 6 2HB PHE 6 -0.560 -9.249 9.129 43 HD1 PHE 6 HD1 PHE 6 0.845 -10.574 10.973 44 HD2 PHE 6 HD2 PHE 6 0.389 -6.347 10.778 45 HE1 PHE 6 HE1 PHE 6 1.352 -10.412 13.376 46 HE2 PHE 6 HE2 PHE 6 0.896 -6.178 13.179 47 HZ PHE 6 HZ PHE 6 1.380 -8.211 14.481 48 H LYS 7 H LYS 7 2.853 -8.442 6.400 49 HA LYS 7 HA LYS 7 0.662 -8.776 4.479 50 HB2 LYS 7 1HB LYS 7 3.353 -7.455 4.087 51 HB3 LYS 7 2HB LYS 7 2.012 -7.444 2.950 52 HG2 LYS 7 1HG LYS 7 2.331 -5.962 5.516 53 HG3 LYS 7 2HG LYS 7 1.829 -5.373 3.929 54 HD2 LYS 7 1HD LYS 7 -0.261 -6.785 4.229 55 HD3 LYS 7 2HD LYS 7 0.229 -6.972 5.915 56 HE2 LYS 7 1HE LYS 7 -0.405 -4.405 4.467 57 HE3 LYS 7 2HE LYS 7 -1.332 -5.155 5.765 58 HZ1 LYS 7 3HZ LYS 7 1.306 -3.830 5.932 59 HZ2 LYS 7 1HZ LYS 7 0.755 -4.871 7.148 60 HZ3 LYS 7 2HZ LYS 7 -0.110 -3.464 6.782 61 H ALA 8 H ALA 8 0.650 -10.381 3.034 62 HA ALA 8 HA ALA 8 2.450 -12.535 3.207 63 HB1 ALA 8 1HB ALA 8 1.284 -13.451 1.287 64 HB2 ALA 8 2HB ALA 8 0.131 -12.757 2.428 65 HB3 ALA 8 3HB ALA 8 0.552 -11.880 0.957 66 H CYS 9 H CYS 9 4.191 -13.144 2.000 67 HA CYS 9 HA CYS 9 5.225 -11.140 0.105 68 HB2 CYS 9 1HB CYS 9 7.470 -11.961 0.666 69 HB3 CYS 9 2HB CYS 9 6.621 -11.402 2.103 70 H ASN 10 H ASN 10 6.177 -11.830 -1.827 71 HA ASN 10 HA ASN 10 5.000 -14.155 -2.980 72 HB2 ASN 10 1HB ASN 10 6.320 -11.807 -3.910 73 HB3 ASN 10 2HB ASN 10 7.142 -13.201 -4.605 74 HD21 ASN 10 2HD2 ASN 10 6.418 -13.582 -6.559 75 HD22 ASN 10 1HD2 ASN 10 4.770 -13.504 -7.073 76 HA PRO 11 HA PRO 11 8.044 -17.211 -2.142 77 HB2 PRO 11 1HB PRO 11 7.765 -18.791 -4.332 78 HB3 PRO 11 2HB PRO 11 6.569 -18.732 -3.032 79 HG2 PRO 11 1HG PRO 11 6.548 -17.353 -5.689 80 HG3 PRO 11 2HG PRO 11 5.224 -18.178 -4.846 81 HD2 PRO 11 1HD PRO 11 5.496 -15.484 -4.848 82 HD3 PRO 11 2HD PRO 11 4.805 -16.373 -3.476 83 H SER 12 H SER 12 8.119 -15.532 -5.225 84 HA SER 12 HA SER 12 10.844 -16.382 -5.770 85 HB2 SER 12 1HB SER 12 8.850 -15.890 -7.468 86 HB3 SER 12 2HB SER 12 9.518 -14.260 -7.391 87 HG SER 12 HG SER 12 11.056 -14.918 -8.643 88 H ASN 13 H ASN 13 9.115 -13.589 -4.584 89 HA ASN 13 HA ASN 13 11.470 -11.896 -4.678 90 HB2 ASN 13 1HB ASN 13 8.597 -11.505 -3.945 91 HB3 ASN 13 2HB ASN 13 9.791 -10.358 -3.344 92 HD21 ASN 13 2HD2 ASN 13 10.311 -8.723 -4.610 93 HD22 ASN 13 1HD2 ASN 13 9.989 -8.614 -6.304 94 H ASP 14 H ASP 14 9.198 -12.675 -2.042 95 HA ASP 14 HA ASP 14 9.517 -13.089 0.172 96 HB2 ASP 14 1HB ASP 14 10.959 -14.766 0.549 97 HB3 ASP 14 2HB ASP 14 11.422 -14.617 -1.144 98 H GLN 15 H GLN 15 11.579 -10.959 -1.529 99 HA GLN 15 HA GLN 15 12.968 -9.843 0.689 100 HB2 GLN 15 1HB GLN 15 13.736 -9.649 -1.664 101 HB3 GLN 15 2HB GLN 15 12.376 -8.585 -1.995 102 HG2 GLN 15 1HG GLN 15 14.333 -7.257 -1.669 103 HG3 GLN 15 2HG GLN 15 13.249 -7.011 -0.301 104 HE21 GLN 15 2HE2 GLN 15 14.699 -6.454 1.226 105 HE22 GLN 15 1HE2 GLN 15 15.967 -7.483 1.788 106 H CYS 16 H CYS 16 11.521 -9.314 2.304 107 HA CYS 16 HA CYS 16 9.120 -7.912 1.968 108 HB2 CYS 16 1HB CYS 16 10.260 -9.141 4.059 109 HB3 CYS 16 2HB CYS 16 10.666 -7.477 4.469 110 H CYS 17 H CYS 17 8.574 -5.738 2.260 111 HA CYS 17 HA CYS 17 10.143 -3.839 1.038 112 HB2 CYS 17 1HB CYS 17 7.623 -3.828 1.888 113 HB3 CYS 17 2HB CYS 17 8.332 -2.927 3.225 114 H LYS 18 H LYS 18 11.414 -2.102 1.772 115 HA LYS 18 HA LYS 18 13.015 -2.735 4.090 116 HB2 LYS 18 1HB LYS 18 13.181 -0.456 2.109 117 HB3 LYS 18 2HB LYS 18 14.355 -0.762 3.383 118 HG2 LYS 18 1HG LYS 18 13.728 -2.915 1.419 119 HG3 LYS 18 2HG LYS 18 14.799 -1.590 0.957 120 HD2 LYS 18 1HD LYS 18 15.265 -3.038 3.529 121 HD3 LYS 18 2HD LYS 18 15.780 -3.774 2.009 122 HE2 LYS 18 1HE LYS 18 16.539 -0.985 2.860 123 HE3 LYS 18 2HE LYS 18 17.528 -2.407 3.185 124 HZ1 LYS 18 3HZ LYS 18 17.755 -0.894 0.996 125 HZ2 LYS 18 1HZ LYS 18 16.699 -2.088 0.429 126 HZ3 LYS 18 2HZ LYS 18 18.205 -2.523 1.064 127 H SER 19 H SER 19 10.131 -1.262 3.768 128 HA SER 19 HA SER 19 10.348 1.137 5.195 129 HB2 SER 19 1HB SER 19 8.330 0.236 3.904 130 HB3 SER 19 2HB SER 19 7.960 -0.702 5.351 131 HG SER 19 HG SER 19 7.517 1.914 4.851 132 H SER 20 H SER 20 10.451 -2.152 6.243 133 HA SER 20 HA SER 20 11.188 -1.372 8.898 134 HB2 SER 20 1HB SER 20 8.445 -2.400 8.345 135 HB3 SER 20 2HB SER 20 9.265 -2.993 9.790 136 HG SER 20 HG SER 20 9.508 -0.847 10.468 137 H LYS 21 H LYS 21 12.097 -3.075 10.099 138 HA LYS 21 HA LYS 21 13.248 -5.148 8.522 139 HB2 LYS 21 1HB LYS 21 13.374 -4.320 11.386 140 HB3 LYS 21 2HB LYS 21 13.921 -5.937 10.964 141 HG2 LYS 21 1HG LYS 21 15.791 -4.421 10.997 142 HG3 LYS 21 2HG LYS 21 15.492 -4.962 9.343 143 HD2 LYS 21 1HD LYS 21 14.364 -2.881 8.831 144 HD3 LYS 21 2HD LYS 21 14.531 -2.347 10.505 145 HE2 LYS 21 1HE LYS 21 16.837 -2.055 10.304 146 HE3 LYS 21 2HE LYS 21 16.935 -3.071 8.867 147 HZ1 LYS 21 3HZ LYS 21 15.360 -1.171 7.950 148 HZ2 LYS 21 1HZ LYS 21 17.046 -1.053 7.884 149 HZ3 LYS 21 2HZ LYS 21 16.191 -0.262 9.110 150 H LEU 22 H LEU 22 11.898 -6.683 7.770 151 HA LEU 22 HA LEU 22 10.537 -8.346 9.755 152 HB2 LEU 22 1HB LEU 22 9.226 -7.370 7.222 153 HB3 LEU 22 2HB LEU 22 8.526 -8.486 8.393 154 HG LEU 22 HG LEU 22 9.317 -5.746 9.280 155 HD11 LEU 22 1HD1 LEU 22 7.644 -6.087 7.105 156 HD12 LEU 22 2HD1 LEU 22 7.734 -4.669 8.149 157 HD13 LEU 22 3HD1 LEU 22 6.540 -5.927 8.472 158 HD21 LEU 22 3HD2 LEU 22 8.602 -7.414 10.921 159 HD22 LEU 22 1HD2 LEU 22 7.083 -7.622 10.049 160 HD23 LEU 22 2HD2 LEU 22 7.455 -6.078 10.816 161 H VAL 23 H VAL 23 10.230 -10.512 9.125 162 HA VAL 23 HA VAL 23 11.537 -11.314 6.615 163 HB VAL 23 HB VAL 23 12.457 -13.310 7.859 164 HG11 VAL 23 1HG1 VAL 23 14.186 -11.942 7.366 165 HG12 VAL 23 2HG1 VAL 23 13.393 -10.518 8.043 166 HG13 VAL 23 3HG1 VAL 23 14.189 -11.676 9.109 167 HG21 VAL 23 3HG2 VAL 23 11.690 -11.621 10.237 168 HG22 VAL 23 1HG2 VAL 23 11.111 -13.240 9.846 169 HG23 VAL 23 2HG2 VAL 23 12.795 -12.994 10.305 170 H CYS 24 H CYS 24 10.778 -13.226 5.674 171 HA CYS 24 HA CYS 24 8.509 -14.564 6.939 172 HB2 CYS 24 1HB CYS 24 7.061 -14.302 5.046 173 HB3 CYS 24 2HB CYS 24 7.628 -12.699 5.503 174 H SER 25 H SER 25 11.346 -15.167 6.143 175 HA SER 25 HA SER 25 11.366 -16.915 3.937 176 HB2 SER 25 1HB SER 25 13.158 -16.384 6.251 177 HB3 SER 25 2HB SER 25 13.378 -17.913 5.399 178 HG SER 25 HG SER 25 14.468 -16.761 4.028 179 H ARG 26 H ARG 26 11.822 -17.977 7.298 180 HA ARG 26 HA ARG 26 10.430 -20.464 6.640 181 HB2 ARG 26 1HB ARG 26 11.467 -21.406 8.584 182 HB3 ARG 26 2HB ARG 26 12.699 -20.523 7.694 183 HG2 ARG 26 1HG ARG 26 11.925 -18.588 9.358 184 HG3 ARG 26 2HG ARG 26 11.527 -19.991 10.352 185 HD2 ARG 26 1HD ARG 26 14.204 -19.625 9.028 186 HD3 ARG 26 2HD ARG 26 13.849 -19.030 10.649 187 HE ARG 26 HE ARG 26 13.264 -21.822 10.269 188 HH11 ARG 26 1HH1 ARG 26 15.697 -19.484 11.124 189 HH12 ARG 26 2HH1 ARG 26 16.651 -20.613 12.027 190 HH21 ARG 26 1HH2 ARG 26 14.511 -23.319 11.456 191 HH22 ARG 26 2HH2 ARG 26 15.976 -22.795 12.215 192 H LYS 27 H LYS 27 10.001 -17.540 8.371 193 HA LYS 27 HA LYS 27 8.180 -18.402 10.350 194 HB2 LYS 27 1HB LYS 27 8.279 -15.686 9.029 195 HB3 LYS 27 2HB LYS 27 7.608 -16.069 10.608 196 HG2 LYS 27 1HG LYS 27 10.104 -16.938 10.990 197 HG3 LYS 27 2HG LYS 27 10.416 -15.695 9.777 198 HD2 LYS 27 1HD LYS 27 9.827 -13.997 11.169 199 HD3 LYS 27 2HD LYS 27 8.614 -14.965 12.011 200 HE2 LYS 27 1HE LYS 27 10.562 -14.365 13.425 201 HE3 LYS 27 2HE LYS 27 10.314 -16.103 13.268 202 HZ1 LYS 27 3HZ LYS 27 12.035 -15.158 11.227 203 HZ2 LYS 27 1HZ LYS 27 12.330 -16.327 12.413 204 HZ3 LYS 27 2HZ LYS 27 12.628 -14.695 12.742 205 H THR 28 H THR 28 5.932 -16.845 10.078 206 HA THR 28 HA THR 28 4.239 -18.470 8.555 207 HB THR 28 HB THR 28 2.642 -16.399 8.795 208 HG1 THR 28 HG1 THR 28 4.425 -15.749 10.883 209 HG21 THR 28 3HG2 THR 28 1.938 -17.990 10.223 210 HG22 THR 28 1HG2 THR 28 2.767 -17.031 11.448 211 HG23 THR 28 2HG2 THR 28 3.578 -18.413 10.712 212 H ARG 29 H ARG 29 2.756 -17.644 6.808 213 HA ARG 29 HA ARG 29 4.229 -16.981 4.524 214 HB2 ARG 29 1HB ARG 29 1.321 -17.136 5.182 215 HB3 ARG 29 2HB ARG 29 1.797 -16.370 3.672 216 HG2 ARG 29 1HG ARG 29 3.022 -18.421 3.054 217 HG3 ARG 29 2HG ARG 29 2.435 -19.182 4.534 218 HD2 ARG 29 1HD ARG 29 0.611 -18.015 2.444 219 HD3 ARG 29 2HD ARG 29 1.133 -19.699 2.435 220 HE ARG 29 HE ARG 29 -0.878 -18.544 4.085 221 HH11 ARG 29 1HH1 ARG 29 1.604 -20.984 4.009 222 HH12 ARG 29 2HH1 ARG 29 0.831 -21.992 5.188 223 HH21 ARG 29 1HH2 ARG 29 -1.904 -19.861 5.638 224 HH22 ARG 29 2HH2 ARG 29 -1.165 -21.353 6.113 225 H TRP 30 H TRP 30 2.926 -14.996 6.990 226 HA TRP 30 HA TRP 30 3.137 -12.595 5.316 227 HB2 TRP 30 1HB TRP 30 1.958 -11.442 7.143 228 HB3 TRP 30 2HB TRP 30 1.047 -12.833 6.562 229 HD1 TRP 30 HD1 TRP 30 3.079 -11.644 9.592 230 HE1 TRP 30 HE1 TRP 30 2.481 -13.129 11.608 231 HE3 TRP 30 HE3 TRP 30 0.173 -15.112 7.213 232 HZ2 TRP 30 HZ2 TRP 30 0.978 -15.462 12.122 233 HZ3 TRP 30 HZ3 TRP 30 -0.807 -16.939 8.539 234 HH2 TRP 30 HH2 TRP 30 -0.411 -17.109 10.942 235 H CYS 31 H CYS 31 4.512 -10.915 5.820 236 HA CYS 31 HA CYS 31 6.961 -11.543 7.019 237 HB2 CYS 31 1HB CYS 31 5.669 -9.081 5.982 238 HB3 CYS 31 2HB CYS 31 7.020 -8.852 7.088 239 H LYS 32 H LYS 32 7.668 -11.503 9.055 240 HA LYS 32 HA LYS 32 6.141 -9.999 11.063 241 HB2 LYS 32 1HB LYS 32 6.690 -12.912 10.984 242 HB3 LYS 32 2HB LYS 32 6.884 -12.120 12.542 243 HG2 LYS 32 1HG LYS 32 4.405 -11.507 11.064 244 HG3 LYS 32 2HG LYS 32 4.569 -13.150 11.689 245 HD2 LYS 32 1HD LYS 32 5.404 -11.570 13.794 246 HD3 LYS 32 2HD LYS 32 4.062 -10.656 13.101 247 HE2 LYS 32 1HE LYS 32 2.542 -12.387 13.465 248 HE3 LYS 32 2HE LYS 32 3.814 -13.594 13.639 249 HZ1 LYS 32 3HZ LYS 32 4.083 -11.570 15.604 250 HZ2 LYS 32 1HZ LYS 32 3.878 -13.236 15.811 251 HZ3 LYS 32 2HZ LYS 32 2.527 -12.231 15.660 252 H TYR 33 H TYR 33 7.334 -9.304 12.873 253 HA TYR 33 HA TYR 33 10.050 -8.673 12.321 254 HB2 TYR 33 1HB TYR 33 9.998 -7.782 14.706 255 HB3 TYR 33 2HB TYR 33 8.833 -7.082 13.587 256 HD1 TYR 33 HD1 TYR 33 9.080 -9.881 16.055 257 HD2 TYR 33 HD2 TYR 33 6.647 -6.864 14.298 258 HE1 TYR 33 HE1 TYR 33 7.258 -10.457 17.603 259 HE2 TYR 33 HE2 TYR 33 4.819 -7.431 15.843 260 HH TYR 33 HH TYR 33 4.098 -8.870 17.392 261 H GLN 34 H GLN 34 11.925 -9.314 13.439 262 HA GLN 34 HA GLN 34 12.089 -12.073 14.012 263 HB2 GLN 34 1HB GLN 34 13.975 -9.760 14.297 264 HB3 GLN 34 2HB GLN 34 14.404 -11.332 14.958 265 HG2 GLN 34 1HG GLN 34 13.476 -11.216 12.144 266 HG3 GLN 34 2HG GLN 34 15.085 -10.599 12.515 267 HE21 GLN 34 2HE2 GLN 34 15.629 -12.414 11.036 268 HE22 GLN 34 1HE2 GLN 34 15.880 -13.971 11.739 269 H ILE 35 H ILE 35 12.245 -13.191 15.917 270 HA ILE 35 HA ILE 35 11.656 -11.663 18.369 271 HB ILE 35 HB ILE 35 10.543 -13.752 19.200 272 HG12 ILE 35 1HG1 ILE 35 10.718 -14.558 16.289 273 HG13 ILE 35 2HG1 ILE 35 11.604 -15.314 17.609 274 HG21 ILE 35 1HG2 ILE 35 8.471 -13.226 18.241 275 HG22 ILE 35 2HG2 ILE 35 9.399 -11.730 18.144 276 HG23 ILE 35 3HG2 ILE 35 9.203 -12.741 16.712 277 HD11 ILE 35 3HD1 ILE 35 9.900 -16.769 17.542 278 HD12 ILE 35 1HD1 ILE 35 9.094 -15.553 18.533 279 HD13 ILE 35 2HD1 ILE 35 8.798 -15.613 16.795 Start of MODEL 10 1 H1 GLU 1 H GLU 1 3.887 1.604 -1.195 2 HA GLU 1 HA GLU 1 1.630 -0.201 -0.717 3 HB2 GLU 1 1HB GLU 1 1.669 1.505 -2.625 4 HB3 GLU 1 2HB GLU 1 2.854 0.455 -3.390 5 HG2 GLU 1 1HG GLU 1 1.300 -1.318 -3.576 6 HG3 GLU 1 2HG GLU 1 0.143 -0.504 -2.525 7 H CYS 2 H CYS 2 3.415 -1.452 0.516 8 HA CYS 2 HA CYS 2 4.251 -3.621 -1.229 9 HB2 CYS 2 1HB CYS 2 6.549 -3.609 -0.111 10 HB3 CYS 2 2HB CYS 2 6.256 -2.378 -1.335 11 H LEU 3 H LEU 3 4.587 -5.588 -0.143 12 HA LEU 3 HA LEU 3 2.998 -6.010 2.130 13 HB2 LEU 3 1HB LEU 3 4.187 -8.254 2.189 14 HB3 LEU 3 2HB LEU 3 3.300 -7.848 0.721 15 HG LEU 3 HG LEU 3 5.874 -6.979 0.192 16 HD11 LEU 3 1HD1 LEU 3 5.914 -9.243 2.083 17 HD12 LEU 3 2HD1 LEU 3 7.137 -8.018 1.747 18 HD13 LEU 3 3HD1 LEU 3 6.946 -9.393 0.660 19 HD21 LEU 3 3HD2 LEU 3 5.675 -9.537 -0.879 20 HD22 LEU 3 1HD2 LEU 3 5.162 -8.028 -1.634 21 HD23 LEU 3 2HD2 LEU 3 4.006 -8.990 -0.712 22 H GLU 4 H GLU 4 3.598 -4.716 3.843 23 HA GLU 4 HA GLU 4 6.324 -4.871 4.855 24 HB2 GLU 4 1HB GLU 4 3.926 -3.197 5.549 25 HB3 GLU 4 2HB GLU 4 5.322 -3.264 6.616 26 HG2 GLU 4 1HG GLU 4 6.746 -2.359 4.934 27 HG3 GLU 4 2HG GLU 4 5.479 -2.491 3.715 28 H ILE 5 H ILE 5 3.823 -4.440 7.164 29 HA ILE 5 HA ILE 5 4.648 -6.876 8.526 30 HB ILE 5 HB ILE 5 4.459 -4.696 9.745 31 HG12 ILE 5 1HG1 ILE 5 2.783 -5.877 11.531 32 HG13 ILE 5 2HG1 ILE 5 3.217 -7.259 10.530 33 HG21 ILE 5 1HG2 ILE 5 1.574 -4.930 10.104 34 HG22 ILE 5 2HG2 ILE 5 2.572 -3.502 9.833 35 HG23 ILE 5 3HG2 ILE 5 2.046 -4.483 8.465 36 HD11 ILE 5 3HD1 ILE 5 5.385 -7.242 11.206 37 HD12 ILE 5 1HD1 ILE 5 5.401 -5.502 11.495 38 HD13 ILE 5 2HD1 ILE 5 4.618 -6.581 12.651 39 H PHE 6 H PHE 6 3.329 -8.585 9.006 40 HA PHE 6 HA PHE 6 1.670 -10.104 8.657 41 HB2 PHE 6 1HB PHE 6 -0.094 -7.647 8.743 42 HB3 PHE 6 2HB PHE 6 -0.619 -9.309 8.992 43 HD1 PHE 6 HD1 PHE 6 0.742 -10.577 10.896 44 HD2 PHE 6 HD2 PHE 6 0.273 -6.357 10.598 45 HE1 PHE 6 HE1 PHE 6 1.196 -10.360 13.305 46 HE2 PHE 6 HE2 PHE 6 0.727 -6.133 13.006 47 HZ PHE 6 HZ PHE 6 1.190 -8.135 14.362 48 H LYS 7 H LYS 7 2.860 -8.545 6.322 49 HA LYS 7 HA LYS 7 0.710 -8.898 4.358 50 HB2 LYS 7 1HB LYS 7 3.423 -7.605 4.020 51 HB3 LYS 7 2HB LYS 7 2.132 -7.630 2.826 52 HG2 LYS 7 1HG LYS 7 2.354 -6.057 5.345 53 HG3 LYS 7 2HG LYS 7 1.896 -5.532 3.723 54 HD2 LYS 7 1HD LYS 7 -0.204 -6.900 3.998 55 HD3 LYS 7 2HD LYS 7 0.243 -7.103 5.693 56 HE2 LYS 7 1HE LYS 7 -0.041 -4.844 6.166 57 HE3 LYS 7 2HE LYS 7 0.098 -4.373 4.473 58 HZ1 LYS 7 3HZ LYS 7 -2.215 -4.490 5.705 59 HZ2 LYS 7 1HZ LYS 7 -2.136 -6.104 5.206 60 HZ3 LYS 7 2HZ LYS 7 -2.063 -4.861 4.062 61 H ALA 8 H ALA 8 0.708 -10.542 2.959 62 HA ALA 8 HA ALA 8 2.498 -12.702 3.220 63 HB1 ALA 8 1HB ALA 8 1.385 -13.525 1.110 64 HB2 ALA 8 2HB ALA 8 0.306 -13.169 2.459 65 HB3 ALA 8 3HB ALA 8 0.450 -12.030 1.120 66 H CYS 9 H CYS 9 4.254 -13.342 2.058 67 HA CYS 9 HA CYS 9 5.304 -11.402 0.105 68 HB2 CYS 9 1HB CYS 9 7.548 -12.330 0.696 69 HB3 CYS 9 2HB CYS 9 6.735 -11.533 2.038 70 H ASN 10 H ASN 10 5.502 -12.043 -1.934 71 HA ASN 10 HA ASN 10 4.755 -14.664 -2.745 72 HB2 ASN 10 1HB ASN 10 5.517 -13.833 -5.029 73 HB3 ASN 10 2HB ASN 10 4.240 -12.903 -4.250 74 HD21 ASN 10 2HD2 ASN 10 7.124 -12.717 -5.846 75 HD22 ASN 10 1HD2 ASN 10 7.601 -11.124 -5.379 76 HA PRO 11 HA PRO 11 8.596 -16.797 -2.668 77 HB2 PRO 11 1HB PRO 11 8.225 -18.545 -4.712 78 HB3 PRO 11 2HB PRO 11 7.398 -18.696 -3.157 79 HG2 PRO 11 1HG PRO 11 6.390 -17.555 -5.735 80 HG3 PRO 11 2HG PRO 11 5.564 -18.623 -4.585 81 HD2 PRO 11 1HD PRO 11 5.120 -15.953 -4.670 82 HD3 PRO 11 2HD PRO 11 5.030 -16.889 -3.164 83 H SER 12 H SER 12 7.640 -14.870 -5.300 84 HA SER 12 HA SER 12 9.985 -15.363 -6.919 85 HB2 SER 12 1HB SER 12 8.767 -12.986 -7.786 86 HB3 SER 12 2HB SER 12 8.577 -14.594 -8.485 87 HG SER 12 HG SER 12 6.553 -14.144 -7.962 88 H ASN 13 H ASN 13 8.938 -13.103 -4.485 89 HA ASN 13 HA ASN 13 11.457 -11.609 -4.813 90 HB2 ASN 13 1HB ASN 13 8.742 -10.750 -3.834 91 HB3 ASN 13 2HB ASN 13 10.191 -9.834 -3.431 92 HD21 ASN 13 2HD2 ASN 13 9.317 -8.065 -4.579 93 HD22 ASN 13 1HD2 ASN 13 9.374 -8.010 -6.304 94 H ASP 14 H ASP 14 9.107 -12.465 -2.267 95 HA ASP 14 HA ASP 14 9.379 -13.151 -0.115 96 HB2 ASP 14 1HB ASP 14 10.823 -14.876 -1.309 97 HB3 ASP 14 2HB ASP 14 12.210 -13.895 -0.845 98 H GLN 15 H GLN 15 11.534 -10.904 -1.525 99 HA GLN 15 HA GLN 15 12.836 -10.095 0.901 100 HB2 GLN 15 1HB GLN 15 13.592 -9.813 -1.598 101 HB3 GLN 15 2HB GLN 15 12.649 -8.331 -1.509 102 HG2 GLN 15 1HG GLN 15 15.000 -9.080 0.212 103 HG3 GLN 15 2HG GLN 15 14.957 -7.852 -1.052 104 HE21 GLN 15 2HE2 GLN 15 13.730 -5.952 -0.695 105 HE22 GLN 15 1HE2 GLN 15 13.369 -5.418 0.908 106 H CYS 16 H CYS 16 11.462 -9.401 2.454 107 HA CYS 16 HA CYS 16 9.106 -7.944 2.057 108 HB2 CYS 16 1HB CYS 16 10.214 -9.147 4.193 109 HB3 CYS 16 2HB CYS 16 10.614 -7.474 4.570 110 H CYS 17 H CYS 17 8.613 -5.743 2.359 111 HA CYS 17 HA CYS 17 10.213 -3.906 1.083 112 HB2 CYS 17 1HB CYS 17 7.708 -3.827 2.030 113 HB3 CYS 17 2HB CYS 17 8.497 -2.870 3.280 114 H LYS 18 H LYS 18 11.566 -2.217 1.758 115 HA LYS 18 HA LYS 18 13.168 -2.856 4.076 116 HB2 LYS 18 1HB LYS 18 13.417 -0.634 2.041 117 HB3 LYS 18 2HB LYS 18 14.597 -0.986 3.297 118 HG2 LYS 18 1HG LYS 18 13.786 -2.946 1.163 119 HG3 LYS 18 2HG LYS 18 15.178 -1.867 1.040 120 HD2 LYS 18 1HD LYS 18 15.764 -2.924 3.388 121 HD3 LYS 18 2HD LYS 18 14.756 -4.243 2.786 122 HE2 LYS 18 1HE LYS 18 16.159 -4.419 0.800 123 HE3 LYS 18 2HE LYS 18 17.149 -3.075 1.366 124 HZ1 LYS 18 3HZ LYS 18 16.807 -5.445 3.074 125 HZ2 LYS 18 1HZ LYS 18 18.091 -4.345 3.012 126 HZ3 LYS 18 2HZ LYS 18 17.907 -5.498 1.790 127 H SER 19 H SER 19 10.374 -1.172 3.651 128 HA SER 19 HA SER 19 10.751 1.209 5.074 129 HB2 SER 19 1HB SER 19 8.196 0.698 5.666 130 HB3 SER 19 2HB SER 19 8.696 1.206 4.054 131 HG SER 19 HG SER 19 8.608 -1.524 4.749 132 H SER 20 H SER 20 10.568 -2.065 6.139 133 HA SER 20 HA SER 20 11.216 -1.293 8.831 134 HB2 SER 20 1HB SER 20 8.508 -2.382 8.144 135 HB3 SER 20 2HB SER 20 9.247 -2.800 9.689 136 HG SER 20 HG SER 20 7.859 -0.768 9.416 137 H LYS 21 H LYS 21 12.032 -3.009 10.075 138 HA LYS 21 HA LYS 21 13.200 -5.120 8.551 139 HB2 LYS 21 1HB LYS 21 13.219 -4.353 11.453 140 HB3 LYS 21 2HB LYS 21 13.889 -5.896 10.940 141 HG2 LYS 21 1HG LYS 21 15.580 -4.879 9.689 142 HG3 LYS 21 2HG LYS 21 14.759 -3.317 9.685 143 HD2 LYS 21 1HD LYS 21 16.456 -3.020 11.249 144 HD3 LYS 21 2HD LYS 21 15.054 -3.411 12.249 145 HE2 LYS 21 1HE LYS 21 15.792 -5.703 12.452 146 HE3 LYS 21 2HE LYS 21 17.129 -5.405 11.342 147 HZ1 LYS 21 3HZ LYS 21 17.704 -3.583 13.111 148 HZ2 LYS 21 1HZ LYS 21 18.181 -5.191 13.335 149 HZ3 LYS 21 2HZ LYS 21 16.819 -4.593 14.139 150 H LEU 22 H LEU 22 11.977 -6.751 7.843 151 HA LEU 22 HA LEU 22 10.476 -8.305 9.802 152 HB2 LEU 22 1HB LEU 22 9.287 -7.295 7.223 153 HB3 LEU 22 2HB LEU 22 8.539 -8.486 8.285 154 HG LEU 22 HG LEU 22 9.219 -5.769 9.336 155 HD11 LEU 22 1HD1 LEU 22 6.487 -6.137 8.324 156 HD12 LEU 22 2HD1 LEU 22 7.729 -5.956 7.085 157 HD13 LEU 22 3HD1 LEU 22 7.523 -4.709 8.315 158 HD21 LEU 22 3HD2 LEU 22 8.464 -7.692 10.784 159 HD22 LEU 22 1HD2 LEU 22 6.909 -7.593 9.959 160 HD23 LEU 22 2HD2 LEU 22 7.498 -6.220 10.897 161 H VAL 23 H VAL 23 10.174 -10.483 9.225 162 HA VAL 23 HA VAL 23 11.557 -11.369 6.784 163 HB VAL 23 HB VAL 23 12.409 -13.339 8.118 164 HG11 VAL 23 1HG1 VAL 23 14.310 -12.211 7.937 165 HG12 VAL 23 2HG1 VAL 23 13.423 -10.686 7.880 166 HG13 VAL 23 3HG1 VAL 23 13.933 -11.354 9.431 167 HG21 VAL 23 3HG2 VAL 23 11.593 -11.564 10.415 168 HG22 VAL 23 1HG2 VAL 23 10.998 -13.185 10.057 169 HG23 VAL 23 2HG2 VAL 23 12.672 -12.952 10.561 170 H CYS 24 H CYS 24 10.809 -13.298 5.870 171 HA CYS 24 HA CYS 24 8.508 -14.605 7.098 172 HB2 CYS 24 1HB CYS 24 7.073 -14.334 5.205 173 HB3 CYS 24 2HB CYS 24 7.663 -12.732 5.637 174 H SER 25 H SER 25 11.367 -15.184 6.282 175 HA SER 25 HA SER 25 11.367 -16.967 4.101 176 HB2 SER 25 1HB SER 25 13.418 -17.911 5.559 177 HB3 SER 25 2HB SER 25 13.525 -16.420 4.623 178 HG SER 25 HG SER 25 14.109 -16.504 7.033 179 H ARG 26 H ARG 26 11.915 -17.972 7.466 180 HA ARG 26 HA ARG 26 10.552 -20.490 6.879 181 HB2 ARG 26 1HB ARG 26 12.394 -19.604 9.093 182 HB3 ARG 26 2HB ARG 26 11.498 -21.115 9.175 183 HG2 ARG 26 1HG ARG 26 12.643 -22.014 7.323 184 HG3 ARG 26 2HG ARG 26 13.312 -20.442 6.881 185 HD2 ARG 26 1HD ARG 26 14.990 -20.596 8.374 186 HD3 ARG 26 2HD ARG 26 13.963 -21.342 9.598 187 HE ARG 26 HE ARG 26 14.439 -23.187 7.530 188 HH11 ARG 26 1HH1 ARG 26 16.085 -21.593 10.151 189 HH12 ARG 26 2HH1 ARG 26 17.225 -22.876 10.388 190 HH21 ARG 26 1HH2 ARG 26 15.935 -24.883 7.832 191 HH22 ARG 26 2HH2 ARG 26 17.139 -24.746 9.068 192 H LYS 27 H LYS 27 10.077 -17.537 8.544 193 HA LYS 27 HA LYS 27 8.283 -18.406 10.552 194 HB2 LYS 27 1HB LYS 27 8.307 -15.695 9.223 195 HB3 LYS 27 2HB LYS 27 7.720 -16.090 10.833 196 HG2 LYS 27 1HG LYS 27 10.591 -16.280 9.943 197 HG3 LYS 27 2HG LYS 27 9.893 -14.947 10.865 198 HD2 LYS 27 1HD LYS 27 9.883 -17.817 11.788 199 HD3 LYS 27 2HD LYS 27 11.120 -16.643 12.241 200 HE2 LYS 27 1HE LYS 27 8.166 -16.330 12.762 201 HE3 LYS 27 2HE LYS 27 9.342 -16.898 13.945 202 HZ1 LYS 27 3HZ LYS 27 8.850 -14.530 14.185 203 HZ2 LYS 27 1HZ LYS 27 9.411 -14.244 12.614 204 HZ3 LYS 27 2HZ LYS 27 10.478 -14.790 13.808 205 H THR 28 H THR 28 6.029 -16.835 10.257 206 HA THR 28 HA THR 28 4.330 -18.493 8.775 207 HB THR 28 HB THR 28 2.738 -16.413 8.968 208 HG1 THR 28 HG1 THR 28 4.483 -15.710 11.060 209 HG21 THR 28 3HG2 THR 28 2.040 -17.985 10.424 210 HG22 THR 28 1HG2 THR 28 2.844 -16.980 11.628 211 HG23 THR 28 2HG2 THR 28 3.679 -18.375 10.943 212 H ARG 29 H ARG 29 2.871 -17.750 6.994 213 HA ARG 29 HA ARG 29 4.348 -17.109 4.707 214 HB2 ARG 29 1HB ARG 29 1.441 -17.319 5.345 215 HB3 ARG 29 2HB ARG 29 1.908 -16.570 3.824 216 HG2 ARG 29 1HG ARG 29 3.192 -18.603 3.259 217 HG3 ARG 29 2HG ARG 29 2.602 -19.350 4.745 218 HD2 ARG 29 1HD ARG 29 0.725 -18.228 2.690 219 HD3 ARG 29 2HD ARG 29 1.362 -19.867 2.561 220 HE ARG 29 HE ARG 29 0.191 -19.312 5.118 221 HH11 ARG 29 1HH1 ARG 29 -0.466 -20.286 1.841 222 HH12 ARG 29 2HH1 ARG 29 -1.931 -21.119 2.244 223 HH21 ARG 29 1HH2 ARG 29 -1.736 -20.404 5.661 224 HH22 ARG 29 2HH2 ARG 29 -2.653 -21.185 4.417 225 H TRP 30 H TRP 30 2.980 -15.095 7.114 226 HA TRP 30 HA TRP 30 3.152 -12.731 5.383 227 HB2 TRP 30 1HB TRP 30 1.928 -11.561 7.167 228 HB3 TRP 30 2HB TRP 30 1.057 -12.991 6.622 229 HD1 TRP 30 HD1 TRP 30 3.059 -11.676 9.624 230 HE1 TRP 30 HE1 TRP 30 2.478 -13.111 11.680 231 HE3 TRP 30 HE3 TRP 30 0.208 -15.253 7.340 232 HZ2 TRP 30 HZ2 TRP 30 1.007 -15.450 12.258 233 HZ3 TRP 30 HZ3 TRP 30 -0.749 -17.054 8.715 234 HH2 TRP 30 HH2 TRP 30 -0.356 -17.150 11.123 235 H CYS 31 H CYS 31 4.484 -11.009 5.857 236 HA CYS 31 HA CYS 31 6.937 -11.552 7.090 237 HB2 CYS 31 1HB CYS 31 5.596 -9.134 6.002 238 HB3 CYS 31 2HB CYS 31 6.955 -8.869 7.089 239 H LYS 32 H LYS 32 7.620 -11.456 9.131 240 HA LYS 32 HA LYS 32 6.079 -9.903 11.085 241 HB2 LYS 32 1HB LYS 32 6.516 -12.826 11.055 242 HB3 LYS 32 2HB LYS 32 6.787 -12.035 12.602 243 HG2 LYS 32 1HG LYS 32 4.299 -11.343 11.161 244 HG3 LYS 32 2HG LYS 32 4.411 -12.965 11.847 245 HD2 LYS 32 1HD LYS 32 5.307 -11.533 13.933 246 HD3 LYS 32 2HD LYS 32 4.243 -10.336 13.191 247 HE2 LYS 32 1HE LYS 32 3.038 -11.633 14.854 248 HE3 LYS 32 2HE LYS 32 2.403 -11.955 13.241 249 HZ1 LYS 32 3HZ LYS 32 4.479 -13.708 14.370 250 HZ2 LYS 32 1HZ LYS 32 3.296 -14.059 13.213 251 HZ3 LYS 32 2HZ LYS 32 2.867 -13.910 14.842 252 H TYR 33 H TYR 33 7.260 -9.198 12.901 253 HA TYR 33 HA TYR 33 9.998 -8.640 12.378 254 HB2 TYR 33 1HB TYR 33 9.925 -7.709 14.753 255 HB3 TYR 33 2HB TYR 33 8.813 -6.992 13.592 256 HD1 TYR 33 HD1 TYR 33 8.905 -9.751 16.115 257 HD2 TYR 33 HD2 TYR 33 6.618 -6.692 14.240 258 HE1 TYR 33 HE1 TYR 33 7.026 -10.239 17.624 259 HE2 TYR 33 HE2 TYR 33 4.733 -7.171 15.745 260 HH TYR 33 HH TYR 33 4.409 -8.190 18.024 261 H GLN 34 H GLN 34 11.841 -9.301 13.537 262 HA GLN 34 HA GLN 34 11.976 -12.042 14.130 263 HB2 GLN 34 1HB GLN 34 13.912 -9.875 14.962 264 HB3 GLN 34 2HB GLN 34 14.254 -11.598 14.874 265 HG2 GLN 34 1HG GLN 34 14.217 -11.612 12.547 266 HG3 GLN 34 2HG GLN 34 13.358 -10.075 12.459 267 HE21 GLN 34 2HE2 GLN 34 16.333 -11.580 12.270 268 HE22 GLN 34 1HE2 GLN 34 17.343 -10.181 12.354 269 H ILE 35 H ILE 35 12.223 -13.155 16.076 270 HA ILE 35 HA ILE 35 10.817 -11.970 18.310 271 HB ILE 35 HB ILE 35 12.041 -14.723 18.139 272 HG12 ILE 35 1HG1 ILE 35 10.461 -14.407 16.302 273 HG13 ILE 35 2HG1 ILE 35 9.784 -15.495 17.509 274 HG21 ILE 35 1HG2 ILE 35 10.442 -13.283 20.130 275 HG22 ILE 35 2HG2 ILE 35 9.859 -14.902 19.749 276 HG23 ILE 35 3HG2 ILE 35 11.511 -14.672 20.320 277 HD11 ILE 35 3HD1 ILE 35 8.949 -12.930 18.243 278 HD12 ILE 35 1HD1 ILE 35 8.745 -13.030 16.494 279 HD13 ILE 35 2HD1 ILE 35 7.978 -14.224 17.542 Start of MODEL 11 1 H1 GLU 1 H GLU 1 3.708 1.352 0.873 2 HA GLU 1 HA GLU 1 1.611 0.324 -0.919 3 HB2 GLU 1 1HB GLU 1 3.996 2.081 -1.367 4 HB3 GLU 1 2HB GLU 1 3.356 1.127 -2.698 5 HG2 GLU 1 1HG GLU 1 2.513 3.472 -2.570 6 HG3 GLU 1 2HG GLU 1 1.264 2.229 -2.604 7 H CYS 2 H CYS 2 3.239 -1.292 0.904 8 HA CYS 2 HA CYS 2 4.024 -3.316 -0.967 9 HB2 CYS 2 1HB CYS 2 6.373 -3.483 0.051 10 HB3 CYS 2 2HB CYS 2 6.093 -2.203 -1.125 11 H LEU 3 H LEU 3 4.444 -5.349 0.041 12 HA LEU 3 HA LEU 3 2.884 -5.839 2.328 13 HB2 LEU 3 1HB LEU 3 4.024 -8.102 2.267 14 HB3 LEU 3 2HB LEU 3 3.129 -7.618 0.829 15 HG LEU 3 HG LEU 3 5.727 -6.781 0.325 16 HD11 LEU 3 1HD1 LEU 3 6.229 -9.577 0.909 17 HD12 LEU 3 2HD1 LEU 3 5.943 -8.627 2.367 18 HD13 LEU 3 3HD1 LEU 3 7.217 -8.155 1.243 19 HD21 LEU 3 3HD2 LEU 3 5.450 -9.251 -0.907 20 HD22 LEU 3 1HD2 LEU 3 4.951 -7.688 -1.553 21 HD23 LEU 3 2HD2 LEU 3 3.794 -8.689 -0.676 22 H GLU 4 H GLU 4 3.545 -4.626 4.077 23 HA GLU 4 HA GLU 4 6.292 -4.861 5.014 24 HB2 GLU 4 1HB GLU 4 3.938 -3.183 5.837 25 HB3 GLU 4 2HB GLU 4 5.362 -3.312 6.861 26 HG2 GLU 4 1HG GLU 4 6.746 -2.479 5.010 27 HG3 GLU 4 2HG GLU 4 5.294 -2.300 4.027 28 H ILE 5 H ILE 5 3.856 -4.487 7.400 29 HA ILE 5 HA ILE 5 4.676 -6.989 8.642 30 HB ILE 5 HB ILE 5 4.558 -4.870 9.960 31 HG12 ILE 5 1HG1 ILE 5 2.909 -6.057 11.742 32 HG13 ILE 5 2HG1 ILE 5 3.213 -7.414 10.664 33 HG21 ILE 5 1HG2 ILE 5 1.680 -5.026 10.374 34 HG22 ILE 5 2HG2 ILE 5 2.713 -3.622 10.111 35 HG23 ILE 5 3HG2 ILE 5 2.121 -4.550 8.734 36 HD11 ILE 5 3HD1 ILE 5 5.404 -7.562 11.246 37 HD12 ILE 5 1HD1 ILE 5 5.542 -5.842 11.606 38 HD13 ILE 5 2HD1 ILE 5 4.741 -6.921 12.749 39 H PHE 6 H PHE 6 3.350 -8.702 9.068 40 HA PHE 6 HA PHE 6 1.651 -10.176 8.720 41 HB2 PHE 6 1HB PHE 6 -0.067 -7.693 8.903 42 HB3 PHE 6 2HB PHE 6 -0.619 -9.351 9.111 43 HD1 PHE 6 HD1 PHE 6 0.726 -10.702 10.960 44 HD2 PHE 6 HD2 PHE 6 0.368 -6.464 10.787 45 HE1 PHE 6 HE1 PHE 6 1.217 -10.565 13.367 46 HE2 PHE 6 HE2 PHE 6 0.859 -6.321 13.193 47 HZ PHE 6 HZ PHE 6 1.285 -8.373 14.487 48 H LYS 7 H LYS 7 2.815 -8.516 6.416 49 HA LYS 7 HA LYS 7 0.638 -8.823 4.475 50 HB2 LYS 7 1HB LYS 7 3.333 -7.501 4.119 51 HB3 LYS 7 2HB LYS 7 2.001 -7.475 2.972 52 HG2 LYS 7 1HG LYS 7 2.298 -6.029 5.563 53 HG3 LYS 7 2HG LYS 7 1.820 -5.414 3.978 54 HD2 LYS 7 1HD LYS 7 -0.286 -6.791 4.219 55 HD3 LYS 7 2HD LYS 7 0.184 -7.061 5.899 56 HE2 LYS 7 1HE LYS 7 0.193 -4.642 6.279 57 HE3 LYS 7 2HE LYS 7 -0.276 -4.376 4.600 58 HZ1 LYS 7 3HZ LYS 7 -2.171 -4.262 6.112 59 HZ2 LYS 7 1HZ LYS 7 -1.886 -5.854 6.611 60 HZ3 LYS 7 2HZ LYS 7 -2.340 -5.537 5.013 61 H ALA 8 H ALA 8 0.633 -10.411 3.011 62 HA ALA 8 HA ALA 8 2.434 -12.567 3.170 63 HB1 ALA 8 1HB ALA 8 1.230 -13.534 1.370 64 HB2 ALA 8 2HB ALA 8 0.059 -12.642 2.342 65 HB3 ALA 8 3HB ALA 8 0.648 -11.961 0.825 66 H CYS 9 H CYS 9 4.135 -13.208 1.893 67 HA CYS 9 HA CYS 9 5.175 -11.179 0.025 68 HB2 CYS 9 1HB CYS 9 7.430 -11.956 0.605 69 HB3 CYS 9 2HB CYS 9 6.566 -11.394 2.032 70 H ASN 10 H ASN 10 6.122 -11.871 -1.902 71 HA ASN 10 HA ASN 10 4.991 -14.221 -3.037 72 HB2 ASN 10 1HB ASN 10 6.225 -11.870 -3.991 73 HB3 ASN 10 2HB ASN 10 7.191 -13.213 -4.597 74 HD21 ASN 10 2HD2 ASN 10 6.617 -13.656 -6.591 75 HD22 ASN 10 1HD2 ASN 10 5.000 -13.736 -7.194 76 HA PRO 11 HA PRO 11 8.036 -17.244 -2.085 77 HB2 PRO 11 1HB PRO 11 7.729 -18.905 -4.211 78 HB3 PRO 11 2HB PRO 11 6.549 -18.795 -2.899 79 HG2 PRO 11 1HG PRO 11 6.496 -17.518 -5.606 80 HG3 PRO 11 2HG PRO 11 5.182 -18.308 -4.715 81 HD2 PRO 11 1HD PRO 11 5.457 -15.616 -4.822 82 HD3 PRO 11 2HD PRO 11 4.782 -16.452 -3.409 83 H SER 12 H SER 12 8.111 -15.542 -5.126 84 HA SER 12 HA SER 12 10.795 -16.483 -5.750 85 HB2 SER 12 1HB SER 12 8.871 -16.034 -7.453 86 HB3 SER 12 2HB SER 12 9.352 -14.345 -7.291 87 HG SER 12 HG SER 12 10.744 -14.895 -8.779 88 H ASN 13 H ASN 13 9.166 -13.670 -4.484 89 HA ASN 13 HA ASN 13 11.590 -12.060 -4.589 90 HB2 ASN 13 1HB ASN 13 8.771 -11.475 -3.678 91 HB3 ASN 13 2HB ASN 13 10.093 -10.327 -3.490 92 HD21 ASN 13 2HD2 ASN 13 7.529 -10.770 -5.253 93 HD22 ASN 13 1HD2 ASN 13 8.065 -10.234 -6.806 94 H ASP 14 H ASP 14 9.232 -12.765 -2.006 95 HA ASP 14 HA ASP 14 9.487 -13.181 0.216 96 HB2 ASP 14 1HB ASP 14 11.022 -14.986 -0.811 97 HB3 ASP 14 2HB ASP 14 12.350 -13.948 -0.300 98 H GLN 15 H GLN 15 11.632 -11.093 -1.434 99 HA GLN 15 HA GLN 15 12.977 -9.999 0.824 100 HB2 GLN 15 1HB GLN 15 12.566 -9.031 -1.999 101 HB3 GLN 15 2HB GLN 15 13.445 -8.085 -0.804 102 HG2 GLN 15 1HG GLN 15 14.251 -10.911 -1.241 103 HG3 GLN 15 2HG GLN 15 14.679 -9.711 -2.460 104 HE21 GLN 15 2HE2 GLN 15 15.398 -11.021 0.593 105 HE22 GLN 15 1HE2 GLN 15 16.691 -9.954 1.010 106 H CYS 16 H CYS 16 11.533 -9.388 2.397 107 HA CYS 16 HA CYS 16 9.151 -7.974 1.995 108 HB2 CYS 16 1HB CYS 16 10.316 -9.131 4.142 109 HB3 CYS 16 2HB CYS 16 10.634 -7.437 4.502 110 H CYS 17 H CYS 17 8.623 -5.783 2.244 111 HA CYS 17 HA CYS 17 10.209 -3.933 0.968 112 HB2 CYS 17 1HB CYS 17 7.697 -3.857 1.769 113 HB3 CYS 17 2HB CYS 17 8.382 -2.991 3.140 114 H LYS 18 H LYS 18 11.510 -2.202 1.647 115 HA LYS 18 HA LYS 18 13.107 -2.786 3.978 116 HB2 LYS 18 1HB LYS 18 13.868 -1.872 1.648 117 HB3 LYS 18 2HB LYS 18 13.424 -0.309 2.320 118 HG2 LYS 18 1HG LYS 18 15.716 -0.521 2.726 119 HG3 LYS 18 2HG LYS 18 14.946 -0.889 4.271 120 HD2 LYS 18 1HD LYS 18 15.252 -3.240 3.938 121 HD3 LYS 18 2HD LYS 18 15.803 -2.985 2.281 122 HE2 LYS 18 1HE LYS 18 17.237 -1.804 4.643 123 HE3 LYS 18 2HE LYS 18 17.581 -3.432 4.060 124 HZ1 LYS 18 3HZ LYS 18 19.114 -2.145 2.943 125 HZ2 LYS 18 1HZ LYS 18 18.047 -0.851 2.719 126 HZ3 LYS 18 2HZ LYS 18 17.870 -2.261 1.802 127 H SER 19 H SER 19 10.255 -1.205 3.549 128 HA SER 19 HA SER 19 10.537 1.177 4.994 129 HB2 SER 19 1HB SER 19 7.994 0.557 5.562 130 HB3 SER 19 2HB SER 19 8.490 1.123 3.967 131 HG SER 19 HG SER 19 8.499 -1.624 4.599 132 H SER 20 H SER 20 10.431 -2.115 6.028 133 HA SER 20 HA SER 20 11.047 -1.351 8.730 134 HB2 SER 20 1HB SER 20 8.367 -2.484 8.015 135 HB3 SER 20 2HB SER 20 9.106 -2.921 9.555 136 HG SER 20 HG SER 20 7.798 -1.071 9.765 137 H LYS 21 H LYS 21 12.045 -2.980 9.882 138 HA LYS 21 HA LYS 21 13.183 -5.092 8.355 139 HB2 LYS 21 1HB LYS 21 14.136 -5.803 10.579 140 HB3 LYS 21 2HB LYS 21 14.510 -4.154 10.095 141 HG2 LYS 21 1HG LYS 21 13.475 -3.285 11.866 142 HG3 LYS 21 2HG LYS 21 12.079 -4.350 11.685 143 HD2 LYS 21 1HD LYS 21 13.294 -6.155 12.780 144 HD3 LYS 21 2HD LYS 21 14.723 -5.128 12.917 145 HE2 LYS 21 1HE LYS 21 13.565 -3.627 14.397 146 HE3 LYS 21 2HE LYS 21 12.048 -4.492 14.154 147 HZ1 LYS 21 3HZ LYS 21 13.390 -6.488 15.062 148 HZ2 LYS 21 1HZ LYS 21 12.784 -5.337 16.144 149 HZ3 LYS 21 2HZ LYS 21 14.416 -5.303 15.699 150 H LEU 22 H LEU 22 11.882 -6.692 7.674 151 HA LEU 22 HA LEU 22 10.545 -8.302 9.712 152 HB2 LEU 22 1HB LEU 22 9.200 -7.336 7.194 153 HB3 LEU 22 2HB LEU 22 8.531 -8.513 8.322 154 HG LEU 22 HG LEU 22 9.250 -5.832 9.383 155 HD11 LEU 22 1HD1 LEU 22 7.856 -4.667 8.116 156 HD12 LEU 22 2HD1 LEU 22 6.544 -5.789 8.475 157 HD13 LEU 22 3HD1 LEU 22 7.612 -6.092 7.105 158 HD21 LEU 22 3HD2 LEU 22 8.388 -7.673 10.801 159 HD22 LEU 22 1HD2 LEU 22 6.895 -7.652 9.862 160 HD23 LEU 22 2HD2 LEU 22 7.359 -6.240 10.812 161 H VAL 23 H VAL 23 10.251 -10.485 9.140 162 HA VAL 23 HA VAL 23 11.576 -11.330 6.650 163 HB VAL 23 HB VAL 23 11.864 -12.763 9.291 164 HG11 VAL 23 1HG1 VAL 23 12.304 -14.411 7.798 165 HG12 VAL 23 2HG1 VAL 23 12.733 -13.282 6.511 166 HG13 VAL 23 3HG1 VAL 23 13.892 -13.644 7.790 167 HG21 VAL 23 3HG2 VAL 23 14.147 -11.913 9.360 168 HG22 VAL 23 1HG2 VAL 23 13.857 -10.984 7.888 169 HG23 VAL 23 2HG2 VAL 23 12.986 -10.585 9.369 170 H CYS 24 H CYS 24 10.758 -13.159 5.652 171 HA CYS 24 HA CYS 24 8.471 -14.499 6.889 172 HB2 CYS 24 1HB CYS 24 7.028 -14.172 5.021 173 HB3 CYS 24 2HB CYS 24 7.663 -12.585 5.445 174 H SER 25 H SER 25 11.355 -15.008 5.923 175 HA SER 25 HA SER 25 11.312 -16.786 3.764 176 HB2 SER 25 1HB SER 25 13.163 -16.459 6.115 177 HB3 SER 25 2HB SER 25 13.420 -17.735 4.926 178 HG SER 25 HG SER 25 13.830 -16.253 3.396 179 H ARG 26 H ARG 26 11.889 -17.847 7.107 180 HA ARG 26 HA ARG 26 10.523 -20.355 6.492 181 HB2 ARG 26 1HB ARG 26 11.992 -19.719 9.041 182 HB3 ARG 26 2HB ARG 26 11.647 -21.296 8.345 183 HG2 ARG 26 1HG ARG 26 13.832 -21.134 7.778 184 HG3 ARG 26 2HG ARG 26 13.132 -20.329 6.373 185 HD2 ARG 26 1HD ARG 26 13.845 -18.266 7.028 186 HD3 ARG 26 2HD ARG 26 13.747 -18.658 8.744 187 HE ARG 26 HE ARG 26 15.807 -20.171 7.605 188 HH11 ARG 26 1HH1 ARG 26 15.038 -16.855 8.337 189 HH12 ARG 26 2HH1 ARG 26 16.692 -16.380 8.544 190 HH21 ARG 26 1HH2 ARG 26 17.988 -19.558 7.875 191 HH22 ARG 26 2HH2 ARG 26 18.369 -17.919 8.280 192 H LYS 27 H LYS 27 10.049 -17.425 8.198 193 HA LYS 27 HA LYS 27 8.277 -18.303 10.212 194 HB2 LYS 27 1HB LYS 27 8.337 -15.609 8.841 195 HB3 LYS 27 2HB LYS 27 7.618 -15.969 10.405 196 HG2 LYS 27 1HG LYS 27 10.494 -16.588 10.044 197 HG3 LYS 27 2HG LYS 27 10.024 -14.891 10.164 198 HD2 LYS 27 1HD LYS 27 10.349 -15.376 12.379 199 HD3 LYS 27 2HD LYS 27 8.636 -15.773 12.225 200 HE2 LYS 27 1HE LYS 27 9.016 -18.039 12.318 201 HE3 LYS 27 2HE LYS 27 10.661 -17.896 11.702 202 HZ1 LYS 27 3HZ LYS 27 9.729 -17.171 14.426 203 HZ2 LYS 27 1HZ LYS 27 11.294 -16.901 13.844 204 HZ3 LYS 27 2HZ LYS 27 10.716 -18.481 14.013 205 H THR 28 H THR 28 5.980 -16.839 9.969 206 HA THR 28 HA THR 28 4.319 -18.521 8.473 207 HB THR 28 HB THR 28 2.708 -16.407 8.725 208 HG1 THR 28 HG1 THR 28 4.383 -15.962 10.940 209 HG21 THR 28 3HG2 THR 28 1.958 -18.156 9.956 210 HG22 THR 28 1HG2 THR 28 2.633 -17.224 11.292 211 HG23 THR 28 2HG2 THR 28 3.562 -18.543 10.579 212 H ARG 29 H ARG 29 2.742 -17.679 6.780 213 HA ARG 29 HA ARG 29 4.142 -17.018 4.450 214 HB2 ARG 29 1HB ARG 29 1.258 -17.166 5.202 215 HB3 ARG 29 2HB ARG 29 1.684 -16.396 3.680 216 HG2 ARG 29 1HG ARG 29 2.892 -18.452 3.025 217 HG3 ARG 29 2HG ARG 29 2.330 -19.215 4.514 218 HD2 ARG 29 1HD ARG 29 -0.025 -18.475 3.657 219 HD3 ARG 29 2HD ARG 29 0.783 -18.405 2.091 220 HE ARG 29 HE ARG 29 1.447 -20.855 3.103 221 HH11 ARG 29 1HH1 ARG 29 -1.532 -19.179 2.439 222 HH12 ARG 29 2HH1 ARG 29 -2.423 -20.627 2.104 223 HH21 ARG 29 1HH2 ARG 29 0.284 -22.768 2.664 224 HH22 ARG 29 2HH2 ARG 29 -1.389 -22.667 2.234 225 H TRP 30 H TRP 30 2.926 -15.031 6.959 226 HA TRP 30 HA TRP 30 3.136 -12.630 5.279 227 HB2 TRP 30 1HB TRP 30 1.981 -11.476 7.157 228 HB3 TRP 30 2HB TRP 30 1.034 -12.790 6.466 229 HD1 TRP 30 HD1 TRP 30 2.845 -11.759 9.657 230 HE1 TRP 30 HE1 TRP 30 2.178 -13.372 11.549 231 HE3 TRP 30 HE3 TRP 30 0.266 -15.213 6.908 232 HZ2 TRP 30 HZ2 TRP 30 0.749 -15.788 11.838 233 HZ3 TRP 30 HZ3 TRP 30 -0.720 -17.146 8.069 234 HH2 TRP 30 HH2 TRP 30 -0.482 -17.426 10.482 235 H CYS 31 H CYS 31 4.504 -10.947 5.814 236 HA CYS 31 HA CYS 31 6.943 -11.591 7.025 237 HB2 CYS 31 1HB CYS 31 5.672 -9.150 5.950 238 HB3 CYS 31 2HB CYS 31 6.946 -8.877 7.134 239 H LYS 32 H LYS 32 7.688 -11.481 9.055 240 HA LYS 32 HA LYS 32 6.095 -10.062 11.073 241 HB2 LYS 32 1HB LYS 32 7.037 -12.920 11.172 242 HB3 LYS 32 2HB LYS 32 6.670 -12.017 12.636 243 HG2 LYS 32 1HG LYS 32 4.602 -12.000 10.530 244 HG3 LYS 32 2HG LYS 32 4.882 -13.534 11.356 245 HD2 LYS 32 1HD LYS 32 4.550 -11.011 12.932 246 HD3 LYS 32 2HD LYS 32 3.134 -11.862 12.310 247 HE2 LYS 32 1HE LYS 32 5.264 -13.253 13.910 248 HE3 LYS 32 2HE LYS 32 3.903 -12.434 14.675 249 HZ1 LYS 32 3HZ LYS 32 3.706 -14.650 12.708 250 HZ2 LYS 32 1HZ LYS 32 2.396 -13.859 13.431 251 HZ3 LYS 32 2HZ LYS 32 3.453 -14.782 14.375 252 H TYR 33 H TYR 33 7.258 -9.317 12.883 253 HA TYR 33 HA TYR 33 9.939 -8.555 12.327 254 HB2 TYR 33 1HB TYR 33 9.857 -7.653 14.694 255 HB3 TYR 33 2HB TYR 33 8.622 -7.038 13.601 256 HD1 TYR 33 HD1 TYR 33 9.123 -9.787 16.085 257 HD2 TYR 33 HD2 TYR 33 6.437 -6.981 14.348 258 HE1 TYR 33 HE1 TYR 33 7.381 -10.477 17.678 259 HE2 TYR 33 HE2 TYR 33 4.688 -7.663 15.937 260 HH TYR 33 HH TYR 33 4.906 -10.455 17.824 261 H GLN 34 H GLN 34 11.846 -9.110 13.437 262 HA GLN 34 HA GLN 34 12.240 -11.828 13.912 263 HB2 GLN 34 1HB GLN 34 13.859 -9.412 14.711 264 HB3 GLN 34 2HB GLN 34 14.404 -11.058 15.003 265 HG2 GLN 34 1HG GLN 34 14.708 -11.500 12.762 266 HG3 GLN 34 2HG GLN 34 13.596 -10.230 12.254 267 HE21 GLN 34 2HE2 GLN 34 14.313 -8.113 12.145 268 HE22 GLN 34 1HE2 GLN 34 15.990 -7.700 12.186 269 H ILE 35 H ILE 35 12.192 -13.105 15.686 270 HA ILE 35 HA ILE 35 10.568 -12.499 17.845 271 HB ILE 35 HB ILE 35 12.818 -14.514 17.784 272 HG12 ILE 35 1HG1 ILE 35 11.255 -14.871 15.953 273 HG13 ILE 35 2HG1 ILE 35 11.031 -16.119 17.174 274 HG21 ILE 35 1HG2 ILE 35 11.065 -15.628 19.423 275 HG22 ILE 35 2HG2 ILE 35 12.289 -14.499 20.002 276 HG23 ILE 35 3HG2 ILE 35 10.640 -13.942 19.720 277 HD11 ILE 35 3HD1 ILE 35 8.866 -15.593 16.744 278 HD12 ILE 35 1HD1 ILE 35 9.192 -14.444 18.042 279 HD13 ILE 35 2HD1 ILE 35 9.231 -13.911 16.361 Start of MODEL 12 1 H1 GLU 1 H GLU 1 1.883 0.894 -3.025 2 HA GLU 1 HA GLU 1 2.518 0.369 -0.275 3 HB2 GLU 1 1HB GLU 1 0.381 -0.653 -2.138 4 HB3 GLU 1 2HB GLU 1 0.551 -1.246 -0.492 5 HG2 GLU 1 1HG GLU 1 0.000 1.592 -1.323 6 HG3 GLU 1 2HG GLU 1 -1.144 0.465 -0.596 7 H CYS 2 H CYS 2 3.739 -1.212 0.511 8 HA CYS 2 HA CYS 2 4.276 -3.556 -1.190 9 HB2 CYS 2 1HB CYS 2 6.574 -3.571 -0.075 10 HB3 CYS 2 2HB CYS 2 6.290 -2.325 -1.286 11 H LEU 3 H LEU 3 4.597 -5.533 -0.119 12 HA LEU 3 HA LEU 3 3.004 -5.961 2.149 13 HB2 LEU 3 1HB LEU 3 4.178 -8.213 2.192 14 HB3 LEU 3 2HB LEU 3 3.294 -7.791 0.728 15 HG LEU 3 HG LEU 3 5.874 -6.935 0.207 16 HD11 LEU 3 1HD1 LEU 3 5.897 -9.219 2.076 17 HD12 LEU 3 2HD1 LEU 3 7.125 -7.993 1.760 18 HD13 LEU 3 3HD1 LEU 3 6.934 -9.355 0.655 19 HD21 LEU 3 3HD2 LEU 3 5.656 -9.486 -0.882 20 HD22 LEU 3 1HD2 LEU 3 5.160 -7.967 -1.629 21 HD23 LEU 3 2HD2 LEU 3 3.992 -8.923 -0.716 22 H GLU 4 H GLU 4 3.610 -4.687 3.874 23 HA GLU 4 HA GLU 4 6.334 -4.866 4.887 24 HB2 GLU 4 1HB GLU 4 3.942 -3.204 5.654 25 HB3 GLU 4 2HB GLU 4 5.399 -3.248 6.637 26 HG2 GLU 4 1HG GLU 4 6.670 -2.543 4.583 27 HG3 GLU 4 2HG GLU 4 5.108 -2.261 3.815 28 H ILE 5 H ILE 5 3.836 -4.436 7.198 29 HA ILE 5 HA ILE 5 4.643 -6.890 8.540 30 HB ILE 5 HB ILE 5 4.473 -4.723 9.781 31 HG12 ILE 5 1HG1 ILE 5 2.789 -5.891 11.559 32 HG13 ILE 5 2HG1 ILE 5 3.180 -7.272 10.540 33 HG21 ILE 5 1HG2 ILE 5 1.582 -4.927 10.124 34 HG22 ILE 5 2HG2 ILE 5 2.598 -3.508 9.878 35 HG23 ILE 5 3HG2 ILE 5 2.069 -4.464 8.494 36 HD11 ILE 5 3HD1 ILE 5 5.335 -7.341 11.227 37 HD12 ILE 5 1HD1 ILE 5 5.431 -5.598 11.475 38 HD13 ILE 5 2HD1 ILE 5 4.616 -6.614 12.664 39 H PHE 6 H PHE 6 3.316 -8.597 8.996 40 HA PHE 6 HA PHE 6 1.643 -10.099 8.640 41 HB2 PHE 6 1HB PHE 6 -0.100 -7.628 8.740 42 HB3 PHE 6 2HB PHE 6 -0.642 -9.286 8.973 43 HD1 PHE 6 HD1 PHE 6 0.692 -10.585 10.872 44 HD2 PHE 6 HD2 PHE 6 0.282 -6.357 10.606 45 HE1 PHE 6 HE1 PHE 6 1.140 -10.394 13.284 46 HE2 PHE 6 HE2 PHE 6 0.730 -6.159 13.017 47 HZ PHE 6 HZ PHE 6 1.161 -8.178 14.359 48 H LYS 7 H LYS 7 2.845 -8.520 6.318 49 HA LYS 7 HA LYS 7 0.698 -8.855 4.347 50 HB2 LYS 7 1HB LYS 7 3.413 -7.564 4.024 51 HB3 LYS 7 2HB LYS 7 2.124 -7.577 2.828 52 HG2 LYS 7 1HG LYS 7 2.337 -6.032 5.367 53 HG3 LYS 7 2HG LYS 7 1.901 -5.483 3.747 54 HD2 LYS 7 1HD LYS 7 -0.208 -6.851 3.983 55 HD3 LYS 7 2HD LYS 7 0.217 -7.060 5.684 56 HE2 LYS 7 1HE LYS 7 -1.172 -5.223 5.774 57 HE3 LYS 7 2HE LYS 7 0.415 -4.462 5.666 58 HZ1 LYS 7 3HZ LYS 7 -1.665 -3.897 4.061 59 HZ2 LYS 7 1HZ LYS 7 -0.816 -5.015 3.115 60 HZ3 LYS 7 2HZ LYS 7 -0.045 -3.613 3.664 61 H ALA 8 H ALA 8 0.692 -10.498 2.949 62 HA ALA 8 HA ALA 8 2.468 -12.663 3.192 63 HB1 ALA 8 1HB ALA 8 1.363 -13.517 1.137 64 HB2 ALA 8 2HB ALA 8 0.232 -13.018 2.396 65 HB3 ALA 8 3HB ALA 8 0.515 -11.976 1.002 66 H CYS 9 H CYS 9 4.216 -13.323 2.017 67 HA CYS 9 HA CYS 9 5.324 -11.352 0.130 68 HB2 CYS 9 1HB CYS 9 7.541 -12.342 0.708 69 HB3 CYS 9 2HB CYS 9 6.732 -11.584 2.075 70 H ASN 10 H ASN 10 5.756 -11.949 -1.907 71 HA ASN 10 HA ASN 10 4.852 -14.496 -2.842 72 HB2 ASN 10 1HB ASN 10 5.488 -13.683 -5.059 73 HB3 ASN 10 2HB ASN 10 4.592 -12.445 -4.184 74 HD21 ASN 10 2HD2 ASN 10 6.178 -11.857 -6.363 75 HD22 ASN 10 1HD2 ASN 10 7.533 -10.920 -5.841 76 HA PRO 11 HA PRO 11 8.571 -16.828 -2.672 77 HB2 PRO 11 1HB PRO 11 8.203 -18.489 -4.787 78 HB3 PRO 11 2HB PRO 11 7.301 -18.645 -3.275 79 HG2 PRO 11 1HG PRO 11 6.469 -17.373 -5.854 80 HG3 PRO 11 2HG PRO 11 5.539 -18.432 -4.778 81 HD2 PRO 11 1HD PRO 11 5.236 -15.741 -4.792 82 HD3 PRO 11 2HD PRO 11 5.031 -16.717 -3.324 83 H SER 12 H SER 12 7.781 -14.884 -5.389 84 HA SER 12 HA SER 12 10.151 -15.420 -6.912 85 HB2 SER 12 1HB SER 12 7.965 -14.551 -7.855 86 HB3 SER 12 2HB SER 12 8.364 -12.993 -7.134 87 HG SER 12 HG SER 12 9.432 -12.678 -8.911 88 H ASN 13 H ASN 13 9.050 -12.610 -5.011 89 HA ASN 13 HA ASN 13 11.780 -11.581 -4.969 90 HB2 ASN 13 1HB ASN 13 9.079 -10.444 -4.482 91 HB3 ASN 13 2HB ASN 13 10.412 -9.740 -3.571 92 HD21 ASN 13 2HD2 ASN 13 9.758 -7.837 -4.844 93 HD22 ASN 13 1HD2 ASN 13 10.461 -7.623 -6.408 94 H ASP 14 H ASP 14 9.184 -12.226 -2.610 95 HA ASP 14 HA ASP 14 9.236 -12.884 -0.433 96 HB2 ASP 14 1HB ASP 14 11.577 -14.149 -1.649 97 HB3 ASP 14 2HB ASP 14 11.748 -13.899 0.086 98 H GLN 15 H GLN 15 11.607 -10.762 -1.682 99 HA GLN 15 HA GLN 15 12.834 -9.989 0.763 100 HB2 GLN 15 1HB GLN 15 13.556 -7.972 -0.562 101 HB3 GLN 15 2HB GLN 15 14.009 -9.524 -1.255 102 HG2 GLN 15 1HG GLN 15 12.821 -9.173 -3.105 103 HG3 GLN 15 2HG GLN 15 11.436 -8.552 -2.208 104 HE21 GLN 15 2HE2 GLN 15 12.697 -7.609 -4.685 105 HE22 GLN 15 1HE2 GLN 15 13.115 -5.957 -4.398 106 H CYS 16 H CYS 16 11.464 -9.374 2.354 107 HA CYS 16 HA CYS 16 9.095 -7.919 2.035 108 HB2 CYS 16 1HB CYS 16 10.179 -9.216 4.104 109 HB3 CYS 16 2HB CYS 16 10.649 -7.579 4.551 110 H CYS 17 H CYS 17 8.587 -5.738 2.418 111 HA CYS 17 HA CYS 17 10.176 -3.837 1.222 112 HB2 CYS 17 1HB CYS 17 7.666 -3.820 2.167 113 HB3 CYS 17 2HB CYS 17 8.447 -2.898 3.448 114 H LYS 18 H LYS 18 11.491 -2.144 1.984 115 HA LYS 18 HA LYS 18 13.145 -2.877 4.224 116 HB2 LYS 18 1HB LYS 18 13.248 -0.421 2.461 117 HB3 LYS 18 2HB LYS 18 14.498 -0.936 3.585 118 HG2 LYS 18 1HG LYS 18 13.897 -3.090 1.814 119 HG3 LYS 18 2HG LYS 18 14.200 -1.628 0.874 120 HD2 LYS 18 1HD LYS 18 16.306 -1.303 2.133 121 HD3 LYS 18 2HD LYS 18 16.010 -2.829 2.971 122 HE2 LYS 18 1HE LYS 18 17.579 -3.020 1.051 123 HE3 LYS 18 2HE LYS 18 16.158 -4.055 0.917 124 HZ1 LYS 18 3HZ LYS 18 16.981 -2.567 -1.074 125 HZ2 LYS 18 1HZ LYS 18 16.023 -1.404 -0.305 126 HZ3 LYS 18 2HZ LYS 18 15.336 -2.864 -0.812 127 H SER 19 H SER 19 10.248 -1.368 4.048 128 HA SER 19 HA SER 19 10.511 0.919 5.641 129 HB2 SER 19 1HB SER 19 8.466 0.223 4.335 130 HB3 SER 19 2HB SER 19 8.123 -0.938 5.616 131 HG SER 19 HG SER 19 8.446 1.180 6.949 132 H SER 20 H SER 20 10.720 -2.409 6.443 133 HA SER 20 HA SER 20 11.438 -1.821 9.144 134 HB2 SER 20 1HB SER 20 8.758 -1.998 8.869 135 HB3 SER 20 2HB SER 20 9.145 -3.702 9.112 136 HG SER 20 HG SER 20 9.216 -1.615 10.887 137 H LYS 21 H LYS 21 12.475 -3.540 10.158 138 HA LYS 21 HA LYS 21 13.553 -5.520 8.407 139 HB2 LYS 21 1HB LYS 21 14.626 -4.359 10.483 140 HB3 LYS 21 2HB LYS 21 13.824 -5.633 11.393 141 HG2 LYS 21 1HG LYS 21 15.985 -6.430 11.014 142 HG3 LYS 21 2HG LYS 21 14.984 -7.266 9.824 143 HD2 LYS 21 1HD LYS 21 15.736 -5.854 8.072 144 HD3 LYS 21 2HD LYS 21 16.489 -4.732 9.207 145 HE2 LYS 21 1HE LYS 21 18.106 -6.210 8.031 146 HE3 LYS 21 2HE LYS 21 18.163 -6.346 9.787 147 HZ1 LYS 21 3HZ LYS 21 16.338 -8.201 8.587 148 HZ2 LYS 21 1HZ LYS 21 17.586 -8.479 9.696 149 HZ3 LYS 21 2HZ LYS 21 17.924 -8.413 8.040 150 H LEU 22 H LEU 22 11.538 -6.554 7.771 151 HA LEU 22 HA LEU 22 10.518 -8.428 9.801 152 HB2 LEU 22 1HB LEU 22 9.193 -7.403 7.295 153 HB3 LEU 22 2HB LEU 22 8.503 -8.599 8.390 154 HG LEU 22 HG LEU 22 9.121 -5.734 9.109 155 HD11 LEU 22 1HD1 LEU 22 6.601 -7.115 8.253 156 HD12 LEU 22 2HD1 LEU 22 7.308 -5.620 7.642 157 HD13 LEU 22 3HD1 LEU 22 6.570 -5.656 9.243 158 HD21 LEU 22 3HD2 LEU 22 8.712 -8.021 10.721 159 HD22 LEU 22 1HD2 LEU 22 7.260 -7.027 10.836 160 HD23 LEU 22 2HD2 LEU 22 8.834 -6.334 11.225 161 H VAL 23 H VAL 23 10.180 -10.602 9.220 162 HA VAL 23 HA VAL 23 11.438 -11.468 6.706 163 HB VAL 23 HB VAL 23 12.345 -13.455 7.988 164 HG11 VAL 23 1HG1 VAL 23 14.053 -12.092 7.363 165 HG12 VAL 23 2HG1 VAL 23 13.341 -10.666 8.121 166 HG13 VAL 23 3HG1 VAL 23 14.168 -11.871 9.109 167 HG21 VAL 23 3HG2 VAL 23 12.687 -13.199 10.382 168 HG22 VAL 23 1HG2 VAL 23 11.820 -11.662 10.357 169 HG23 VAL 23 2HG2 VAL 23 10.965 -13.163 10.000 170 H CYS 24 H CYS 24 10.668 -13.424 5.840 171 HA CYS 24 HA CYS 24 8.390 -14.690 7.159 172 HB2 CYS 24 1HB CYS 24 6.955 -14.500 5.224 173 HB3 CYS 24 2HB CYS 24 7.477 -12.888 5.701 174 H SER 25 H SER 25 11.265 -15.213 6.126 175 HA SER 25 HA SER 25 11.211 -17.076 4.059 176 HB2 SER 25 1HB SER 25 13.058 -16.602 6.372 177 HB3 SER 25 2HB SER 25 13.290 -18.021 5.351 178 HG SER 25 HG SER 25 14.184 -15.652 4.868 179 H ARG 26 H ARG 26 11.789 -18.055 7.424 180 HA ARG 26 HA ARG 26 10.397 -20.564 6.882 181 HB2 ARG 26 1HB ARG 26 12.009 -19.757 9.309 182 HB3 ARG 26 2HB ARG 26 11.424 -21.373 8.933 183 HG2 ARG 26 1HG ARG 26 13.221 -19.965 7.012 184 HG3 ARG 26 2HG ARG 26 13.893 -20.736 8.450 185 HD2 ARG 26 1HD ARG 26 11.990 -22.285 6.768 186 HD3 ARG 26 2HD ARG 26 13.629 -22.042 6.168 187 HE ARG 26 HE ARG 26 13.584 -22.979 8.867 188 HH11 ARG 26 1HH1 ARG 26 13.347 -23.964 5.536 189 HH12 ARG 26 2HH1 ARG 26 13.895 -25.580 5.839 190 HH21 ARG 26 1HH2 ARG 26 14.307 -25.103 9.278 191 HH22 ARG 26 2HH2 ARG 26 14.441 -26.226 7.968 192 H LYS 27 H LYS 27 9.945 -17.584 8.508 193 HA LYS 27 HA LYS 27 8.138 -18.417 10.522 194 HB2 LYS 27 1HB LYS 27 9.382 -16.065 9.896 195 HB3 LYS 27 2HB LYS 27 7.725 -15.724 9.412 196 HG2 LYS 27 1HG LYS 27 7.467 -15.117 11.548 197 HG3 LYS 27 2HG LYS 27 7.331 -16.852 11.845 198 HD2 LYS 27 1HD LYS 27 9.460 -17.008 12.702 199 HD3 LYS 27 2HD LYS 27 10.038 -15.601 11.808 200 HE2 LYS 27 1HE LYS 27 9.194 -14.111 13.343 201 HE3 LYS 27 2HE LYS 27 7.947 -15.226 13.899 202 HZ1 LYS 27 3HZ LYS 27 9.958 -14.747 15.407 203 HZ2 LYS 27 1HZ LYS 27 10.791 -15.816 14.394 204 HZ3 LYS 27 2HZ LYS 27 9.428 -16.345 15.246 205 H THR 28 H THR 28 5.902 -16.831 10.217 206 HA THR 28 HA THR 28 4.191 -18.475 8.734 207 HB THR 28 HB THR 28 2.619 -16.379 8.920 208 HG1 THR 28 HG1 THR 28 4.320 -14.916 9.448 209 HG21 THR 28 3HG2 THR 28 1.904 -17.949 10.372 210 HG22 THR 28 1HG2 THR 28 2.706 -16.945 11.580 211 HG23 THR 28 2HG2 THR 28 3.538 -18.345 10.903 212 H ARG 29 H ARG 29 2.734 -17.705 6.955 213 HA ARG 29 HA ARG 29 4.219 -17.093 4.665 214 HB2 ARG 29 1HB ARG 29 1.308 -17.246 5.307 215 HB3 ARG 29 2HB ARG 29 1.789 -16.512 3.783 216 HG2 ARG 29 1HG ARG 29 3.036 -18.574 3.230 217 HG3 ARG 29 2HG ARG 29 2.422 -19.303 4.716 218 HD2 ARG 29 1HD ARG 29 0.103 -18.816 3.856 219 HD3 ARG 29 2HD ARG 29 0.850 -18.391 2.316 220 HE ARG 29 HE ARG 29 1.675 -20.965 3.198 221 HH11 ARG 29 1HH1 ARG 29 -0.966 -19.247 1.717 222 HH12 ARG 29 2HH1 ARG 29 -1.572 -20.638 0.880 223 HH21 ARG 29 1HH2 ARG 29 0.886 -22.803 2.101 224 HH22 ARG 29 2HH2 ARG 29 -0.519 -22.660 1.100 225 H TRP 30 H TRP 30 2.891 -15.052 7.072 226 HA TRP 30 HA TRP 30 3.111 -12.693 5.338 227 HB2 TRP 30 1HB TRP 30 1.901 -11.498 7.116 228 HB3 TRP 30 2HB TRP 30 1.005 -12.912 6.567 229 HD1 TRP 30 HD1 TRP 30 2.993 -11.619 9.583 230 HE1 TRP 30 HE1 TRP 30 2.384 -13.048 11.635 231 HE3 TRP 30 HE3 TRP 30 0.142 -15.179 7.275 232 HZ2 TRP 30 HZ2 TRP 30 0.892 -15.377 12.200 233 HZ3 TRP 30 HZ3 TRP 30 -0.839 -16.974 8.643 234 HH2 TRP 30 HH2 TRP 30 -0.470 -17.069 11.054 235 H CYS 31 H CYS 31 4.460 -10.984 5.831 236 HA CYS 31 HA CYS 31 6.904 -11.571 7.063 237 HB2 CYS 31 1HB CYS 31 5.597 -9.124 5.996 238 HB3 CYS 31 2HB CYS 31 6.964 -8.891 7.082 239 H LYS 32 H LYS 32 7.593 -11.487 9.103 240 HA LYS 32 HA LYS 32 6.075 -9.928 11.068 241 HB2 LYS 32 1HB LYS 32 6.516 -12.866 11.053 242 HB3 LYS 32 2HB LYS 32 6.679 -12.045 12.600 243 HG2 LYS 32 1HG LYS 32 4.283 -11.331 11.060 244 HG3 LYS 32 2HG LYS 32 4.356 -13.006 11.613 245 HD2 LYS 32 1HD LYS 32 4.857 -10.665 13.438 246 HD3 LYS 32 2HD LYS 32 3.249 -11.347 13.180 247 HE2 LYS 32 1HE LYS 32 5.632 -12.937 14.117 248 HE3 LYS 32 2HE LYS 32 4.438 -12.219 15.198 249 HZ1 LYS 32 3HZ LYS 32 2.926 -13.593 13.416 250 HZ2 LYS 32 1HZ LYS 32 3.356 -14.135 14.959 251 HZ3 LYS 32 2HZ LYS 32 4.266 -14.606 13.614 252 H TYR 33 H TYR 33 7.267 -9.261 12.890 253 HA TYR 33 HA TYR 33 10.017 -8.759 12.378 254 HB2 TYR 33 1HB TYR 33 9.964 -7.832 14.748 255 HB3 TYR 33 2HB TYR 33 8.850 -7.098 13.599 256 HD1 TYR 33 HD1 TYR 33 8.934 -9.865 16.113 257 HD2 TYR 33 HD2 TYR 33 6.664 -6.776 14.267 258 HE1 TYR 33 HE1 TYR 33 7.062 -10.337 17.637 259 HE2 TYR 33 HE2 TYR 33 4.787 -7.239 15.787 260 HH TYR 33 HH TYR 33 4.775 -10.006 17.902 261 H GLN 34 H GLN 34 11.843 -9.466 13.536 262 HA GLN 34 HA GLN 34 11.532 -12.154 14.664 263 HB2 GLN 34 1HB GLN 34 13.162 -11.473 12.714 264 HB3 GLN 34 2HB GLN 34 14.192 -10.940 14.036 265 HG2 GLN 34 1HG GLN 34 13.994 -13.229 15.010 266 HG3 GLN 34 2HG GLN 34 13.153 -13.717 13.540 267 HE21 GLN 34 2HE2 GLN 34 14.322 -14.363 11.859 268 HE22 GLN 34 1HE2 GLN 34 16.037 -14.210 11.713 269 H ILE 35 H ILE 35 10.992 -11.791 16.780 270 HA ILE 35 HA ILE 35 12.074 -9.832 18.457 271 HB ILE 35 HB ILE 35 10.031 -11.099 18.996 272 HG12 ILE 35 1HG1 ILE 35 10.569 -11.494 21.423 273 HG13 ILE 35 2HG1 ILE 35 12.264 -11.228 21.030 274 HG21 ILE 35 1HG2 ILE 35 11.197 -13.310 18.260 275 HG22 ILE 35 2HG2 ILE 35 11.697 -13.385 19.949 276 HG23 ILE 35 3HG2 ILE 35 9.983 -13.339 19.538 277 HD11 ILE 35 3HD1 ILE 35 11.971 -9.060 21.308 278 HD12 ILE 35 1HD1 ILE 35 10.798 -9.049 19.991 279 HD13 ILE 35 2HD1 ILE 35 10.261 -9.323 21.648 Start of MODEL 13 1 H1 GLU 1 H GLU 1 1.113 1.512 -2.030 2 HA GLU 1 HA GLU 1 3.070 1.079 -0.333 3 HB2 GLU 1 1HB GLU 1 1.606 -0.185 1.129 4 HB3 GLU 1 2HB GLU 1 0.683 1.065 0.306 5 HG2 GLU 1 1HG GLU 1 -0.242 -0.550 -1.217 6 HG3 GLU 1 2HG GLU 1 0.776 -1.821 -0.541 7 H CYS 2 H CYS 2 3.557 -1.097 0.918 8 HA CYS 2 HA CYS 2 4.085 -3.273 -0.965 9 HB2 CYS 2 1HB CYS 2 6.434 -3.425 0.062 10 HB3 CYS 2 2HB CYS 2 6.148 -2.155 -1.123 11 H LEU 3 H LEU 3 4.523 -5.304 0.044 12 HA LEU 3 HA LEU 3 2.954 -5.821 2.312 13 HB2 LEU 3 1HB LEU 3 4.161 -8.055 2.280 14 HB3 LEU 3 2HB LEU 3 3.259 -7.604 0.835 15 HG LEU 3 HG LEU 3 5.825 -6.696 0.324 16 HD11 LEU 3 1HD1 LEU 3 5.887 -9.042 2.114 17 HD12 LEU 3 2HD1 LEU 3 7.098 -7.791 1.834 18 HD13 LEU 3 3HD1 LEU 3 6.917 -9.115 0.683 19 HD21 LEU 3 3HD2 LEU 3 5.605 -9.230 -0.831 20 HD22 LEU 3 1HD2 LEU 3 5.143 -7.684 -1.544 21 HD23 LEU 3 2HD2 LEU 3 3.950 -8.642 -0.667 22 H GLU 4 H GLU 4 3.560 -4.580 4.063 23 HA GLU 4 HA GLU 4 6.294 -4.752 5.048 24 HB2 GLU 4 1HB GLU 4 3.893 -3.113 5.805 25 HB3 GLU 4 2HB GLU 4 5.284 -3.217 6.875 26 HG2 GLU 4 1HG GLU 4 5.877 -2.559 4.069 27 HG3 GLU 4 2HG GLU 4 4.981 -1.342 4.975 28 H ILE 5 H ILE 5 3.811 -4.416 7.390 29 HA ILE 5 HA ILE 5 4.662 -6.893 8.661 30 HB ILE 5 HB ILE 5 4.467 -4.753 9.953 31 HG12 ILE 5 1HG1 ILE 5 2.798 -6.033 11.699 32 HG13 ILE 5 2HG1 ILE 5 3.298 -7.363 10.660 33 HG21 ILE 5 1HG2 ILE 5 1.582 -5.043 10.317 34 HG22 ILE 5 2HG2 ILE 5 2.562 -3.591 10.123 35 HG23 ILE 5 3HG2 ILE 5 2.050 -4.505 8.705 36 HD11 ILE 5 3HD1 ILE 5 5.438 -7.307 11.389 37 HD12 ILE 5 1HD1 ILE 5 5.418 -5.567 11.671 38 HD13 ILE 5 2HD1 ILE 5 4.648 -6.657 12.825 39 H PHE 6 H PHE 6 3.356 -8.625 9.095 40 HA PHE 6 HA PHE 6 1.704 -10.142 8.705 41 HB2 PHE 6 1HB PHE 6 -0.074 -7.700 8.894 42 HB3 PHE 6 2HB PHE 6 -0.587 -9.373 9.089 43 HD1 PHE 6 HD1 PHE 6 0.829 -10.695 10.929 44 HD2 PHE 6 HD2 PHE 6 0.272 -6.478 10.796 45 HE1 PHE 6 HE1 PHE 6 1.303 -10.560 13.340 46 HE2 PHE 6 HE2 PHE 6 0.747 -6.335 13.206 47 HZ PHE 6 HZ PHE 6 1.264 -8.378 14.481 48 H LYS 7 H LYS 7 2.865 -8.502 6.416 49 HA LYS 7 HA LYS 7 0.699 -8.791 4.460 50 HB2 LYS 7 1HB LYS 7 3.407 -7.482 4.147 51 HB3 LYS 7 2HB LYS 7 2.111 -7.473 2.959 52 HG2 LYS 7 1HG LYS 7 2.338 -5.981 5.526 53 HG3 LYS 7 2HG LYS 7 1.873 -5.405 3.924 54 HD2 LYS 7 1HD LYS 7 -0.223 -6.783 4.161 55 HD3 LYS 7 2HD LYS 7 0.232 -7.048 5.846 56 HE2 LYS 7 1HE LYS 7 -1.245 -5.226 5.900 57 HE3 LYS 7 2HE LYS 7 0.361 -4.510 6.036 58 HZ1 LYS 7 3HZ LYS 7 0.299 -3.973 3.694 59 HZ2 LYS 7 1HZ LYS 7 -1.050 -3.309 4.470 60 HZ3 LYS 7 2HZ LYS 7 -1.218 -4.703 3.528 61 H ALA 8 H ALA 8 0.686 -10.388 3.008 62 HA ALA 8 HA ALA 8 2.482 -12.551 3.178 63 HB1 ALA 8 1HB ALA 8 1.073 -13.617 1.773 64 HB2 ALA 8 2HB ALA 8 0.013 -12.261 2.161 65 HB3 ALA 8 3HB ALA 8 0.957 -12.244 0.671 66 H CYS 9 H CYS 9 4.226 -13.149 1.974 67 HA CYS 9 HA CYS 9 5.255 -11.139 0.084 68 HB2 CYS 9 1HB CYS 9 7.503 -12.063 0.611 69 HB3 CYS 9 2HB CYS 9 6.695 -11.375 2.016 70 H ASN 10 H ASN 10 6.161 -11.804 -1.869 71 HA ASN 10 HA ASN 10 4.972 -14.103 -3.045 72 HB2 ASN 10 1HB ASN 10 6.337 -11.768 -3.944 73 HB3 ASN 10 2HB ASN 10 7.136 -13.169 -4.652 74 HD21 ASN 10 2HD2 ASN 10 6.445 -13.018 -6.703 75 HD22 ASN 10 1HD2 ASN 10 4.788 -13.097 -7.186 76 HA PRO 11 HA PRO 11 7.956 -17.224 -2.233 77 HB2 PRO 11 1HB PRO 11 7.657 -18.772 -4.443 78 HB3 PRO 11 2HB PRO 11 6.457 -18.706 -3.147 79 HG2 PRO 11 1HG PRO 11 6.471 -17.297 -5.787 80 HG3 PRO 11 2HG PRO 11 5.129 -18.107 -4.959 81 HD2 PRO 11 1HD PRO 11 5.450 -15.418 -4.928 82 HD3 PRO 11 2HD PRO 11 4.738 -16.310 -3.568 83 H SER 12 H SER 12 8.100 -15.407 -5.213 84 HA SER 12 HA SER 12 10.788 -16.346 -5.817 85 HB2 SER 12 1HB SER 12 8.638 -15.175 -7.318 86 HB3 SER 12 2HB SER 12 10.089 -14.194 -7.519 87 HG SER 12 HG SER 12 9.730 -16.941 -8.088 88 H ASN 13 H ASN 13 9.152 -13.527 -4.546 89 HA ASN 13 HA ASN 13 11.613 -11.971 -4.507 90 HB2 ASN 13 1HB ASN 13 9.272 -11.035 -5.036 91 HB3 ASN 13 2HB ASN 13 8.984 -11.131 -3.302 92 HD21 ASN 13 2HD2 ASN 13 11.781 -10.176 -5.263 93 HD22 ASN 13 1HD2 ASN 13 11.977 -8.623 -4.533 94 H ASP 14 H ASP 14 9.124 -12.648 -2.042 95 HA ASP 14 HA ASP 14 9.268 -13.105 0.182 96 HB2 ASP 14 1HB ASP 14 10.790 -14.944 -0.813 97 HB3 ASP 14 2HB ASP 14 12.125 -13.959 -0.218 98 H GLN 15 H GLN 15 11.550 -11.066 -1.340 99 HA GLN 15 HA GLN 15 12.838 -10.054 0.987 100 HB2 GLN 15 1HB GLN 15 12.554 -8.998 -1.823 101 HB3 GLN 15 2HB GLN 15 13.442 -8.135 -0.574 102 HG2 GLN 15 1HG GLN 15 14.053 -10.884 -1.633 103 HG3 GLN 15 2HG GLN 15 14.959 -9.405 -1.950 104 HE21 GLN 15 2HE2 GLN 15 15.729 -11.980 -0.698 105 HE22 GLN 15 1HE2 GLN 15 16.402 -11.554 0.835 106 H CYS 16 H CYS 16 11.431 -9.365 2.535 107 HA CYS 16 HA CYS 16 9.070 -7.924 2.109 108 HB2 CYS 16 1HB CYS 16 10.179 -9.076 4.269 109 HB3 CYS 16 2HB CYS 16 10.584 -7.396 4.608 110 H CYS 17 H CYS 17 8.571 -5.719 2.354 111 HA CYS 17 HA CYS 17 10.165 -3.906 1.038 112 HB2 CYS 17 1HB CYS 17 7.671 -3.772 1.856 113 HB3 CYS 17 2HB CYS 17 8.377 -2.937 3.236 114 H LYS 18 H LYS 18 11.610 -2.308 1.623 115 HA LYS 18 HA LYS 18 13.196 -2.859 3.952 116 HB2 LYS 18 1HB LYS 18 13.414 -1.174 1.545 117 HB3 LYS 18 2HB LYS 18 14.186 -0.510 2.979 118 HG2 LYS 18 1HG LYS 18 15.863 -1.725 1.900 119 HG3 LYS 18 2HG LYS 18 15.328 -2.771 3.217 120 HD2 LYS 18 1HD LYS 18 13.882 -3.124 0.682 121 HD3 LYS 18 2HD LYS 18 15.591 -3.561 0.632 122 HE2 LYS 18 1HE LYS 18 13.579 -4.581 2.635 123 HE3 LYS 18 2HE LYS 18 14.152 -5.467 1.223 124 HZ1 LYS 18 3HZ LYS 18 16.451 -5.140 2.208 125 HZ2 LYS 18 1HZ LYS 18 15.436 -6.243 2.992 126 HZ3 LYS 18 2HZ LYS 18 15.668 -4.699 3.642 127 H SER 19 H SER 19 10.407 -1.118 3.476 128 HA SER 19 HA SER 19 10.807 1.226 4.952 129 HB2 SER 19 1HB SER 19 8.440 -0.412 4.183 130 HB3 SER 19 2HB SER 19 8.224 0.781 5.465 131 HG SER 19 HG SER 19 9.318 1.336 2.904 132 H SER 20 H SER 20 10.567 -2.052 5.953 133 HA SER 20 HA SER 20 11.082 -1.311 8.690 134 HB2 SER 20 1HB SER 20 8.500 -2.671 7.910 135 HB3 SER 20 2HB SER 20 9.161 -2.741 9.544 136 HG SER 20 HG SER 20 8.785 -0.631 9.810 137 H LYS 21 H LYS 21 11.970 -2.986 9.905 138 HA LYS 21 HA LYS 21 13.181 -5.083 8.371 139 HB2 LYS 21 1HB LYS 21 13.222 -4.510 11.340 140 HB3 LYS 21 2HB LYS 21 14.201 -5.737 10.546 141 HG2 LYS 21 1HG LYS 21 15.091 -3.808 9.107 142 HG3 LYS 21 2HG LYS 21 14.396 -2.757 10.343 143 HD2 LYS 21 1HD LYS 21 16.217 -5.020 11.087 144 HD3 LYS 21 2HD LYS 21 16.869 -3.465 10.564 145 HE2 LYS 21 1HE LYS 21 15.210 -2.514 12.351 146 HE3 LYS 21 2HE LYS 21 15.299 -4.146 13.011 147 HZ1 LYS 21 3HZ LYS 21 16.931 -2.652 14.014 148 HZ2 LYS 21 1HZ LYS 21 17.634 -2.385 12.498 149 HZ3 LYS 21 2HZ LYS 21 17.682 -3.926 13.193 150 H LEU 22 H LEU 22 11.913 -6.718 7.729 151 HA LEU 22 HA LEU 22 10.587 -8.300 9.791 152 HB2 LEU 22 1HB LEU 22 9.214 -7.298 7.303 153 HB3 LEU 22 2HB LEU 22 8.568 -8.543 8.370 154 HG LEU 22 HG LEU 22 9.223 -5.862 9.504 155 HD11 LEU 22 1HD1 LEU 22 6.468 -6.054 8.665 156 HD12 LEU 22 2HD1 LEU 22 7.566 -6.101 7.286 157 HD13 LEU 22 3HD1 LEU 22 7.634 -4.753 8.421 158 HD21 LEU 22 3HD2 LEU 22 7.001 -7.821 10.066 159 HD22 LEU 22 1HD2 LEU 22 7.441 -6.405 11.022 160 HD23 LEU 22 2HD2 LEU 22 8.542 -7.780 10.925 161 H VAL 23 H VAL 23 10.292 -10.488 9.240 162 HA VAL 23 HA VAL 23 11.620 -11.346 6.754 163 HB VAL 23 HB VAL 23 11.848 -12.766 9.410 164 HG11 VAL 23 1HG1 VAL 23 12.151 -14.411 7.828 165 HG12 VAL 23 2HG1 VAL 23 12.855 -13.301 6.651 166 HG13 VAL 23 3HG1 VAL 23 13.802 -13.830 8.043 167 HG21 VAL 23 3HG2 VAL 23 14.154 -11.980 9.474 168 HG22 VAL 23 1HG2 VAL 23 13.898 -11.073 7.983 169 HG23 VAL 23 2HG2 VAL 23 13.034 -10.618 9.452 170 H CYS 24 H CYS 24 10.803 -13.176 5.747 171 HA CYS 24 HA CYS 24 8.486 -14.497 6.940 172 HB2 CYS 24 1HB CYS 24 7.048 -14.117 5.083 173 HB3 CYS 24 2HB CYS 24 7.709 -12.545 5.522 174 H SER 25 H SER 25 11.354 -15.058 6.042 175 HA SER 25 HA SER 25 11.272 -16.810 3.834 176 HB2 SER 25 1HB SER 25 13.421 -17.735 4.930 177 HB3 SER 25 2HB SER 25 13.415 -16.044 4.427 178 HG SER 25 HG SER 25 14.132 -15.899 6.447 179 H ARG 26 H ARG 26 11.957 -17.850 7.163 180 HA ARG 26 HA ARG 26 10.621 -20.383 6.600 181 HB2 ARG 26 1HB ARG 26 11.675 -21.177 8.656 182 HB3 ARG 26 2HB ARG 26 12.866 -20.445 7.588 183 HG2 ARG 26 1HG ARG 26 12.316 -18.303 9.040 184 HG3 ARG 26 2HG ARG 26 11.858 -19.531 10.221 185 HD2 ARG 26 1HD ARG 26 14.176 -18.909 10.532 186 HD3 ARG 26 2HD ARG 26 14.070 -20.575 9.963 187 HE ARG 26 HE ARG 26 14.394 -19.121 7.687 188 HH11 ARG 26 1HH1 ARG 26 16.144 -19.376 10.686 189 HH12 ARG 26 2HH1 ARG 26 17.681 -19.019 9.970 190 HH21 ARG 26 1HH2 ARG 26 16.412 -18.650 6.733 191 HH22 ARG 26 2HH2 ARG 26 17.832 -18.606 7.722 192 H LYS 27 H LYS 27 10.094 -17.439 8.270 193 HA LYS 27 HA LYS 27 8.323 -18.354 10.282 194 HB2 LYS 27 1HB LYS 27 8.392 -15.635 8.962 195 HB3 LYS 27 2HB LYS 27 7.673 -16.024 10.519 196 HG2 LYS 27 1HG LYS 27 10.529 -16.689 10.207 197 HG3 LYS 27 2HG LYS 27 10.120 -14.972 10.234 198 HD2 LYS 27 1HD LYS 27 9.255 -15.083 12.387 199 HD3 LYS 27 2HD LYS 27 8.996 -16.827 12.299 200 HE2 LYS 27 1HE LYS 27 10.842 -16.634 13.697 201 HE3 LYS 27 2HE LYS 27 11.563 -16.976 12.125 202 HZ1 LYS 27 3HZ LYS 27 12.559 -14.995 12.079 203 HZ2 LYS 27 1HZ LYS 27 12.238 -14.916 13.738 204 HZ3 LYS 27 2HZ LYS 27 11.192 -14.170 12.638 205 H THR 28 H THR 28 6.035 -16.859 10.036 206 HA THR 28 HA THR 28 4.374 -18.515 8.510 207 HB THR 28 HB THR 28 2.739 -16.463 8.774 208 HG1 THR 28 HG1 THR 28 4.475 -15.849 10.905 209 HG21 THR 28 3HG2 THR 28 2.059 -18.127 10.136 210 HG22 THR 28 1HG2 THR 28 2.821 -17.161 11.399 211 HG23 THR 28 2HG2 THR 28 3.699 -18.503 10.664 212 H ARG 29 H ARG 29 2.851 -17.700 6.786 213 HA ARG 29 HA ARG 29 4.287 -16.990 4.493 214 HB2 ARG 29 1HB ARG 29 1.390 -17.203 5.180 215 HB3 ARG 29 2HB ARG 29 1.835 -16.414 3.672 216 HG2 ARG 29 1HG ARG 29 3.095 -18.440 3.028 217 HG3 ARG 29 2HG ARG 29 2.525 -19.224 4.503 218 HD2 ARG 29 1HD ARG 29 0.217 -18.956 3.764 219 HD3 ARG 29 2HD ARG 29 0.769 -18.135 2.305 220 HE ARG 29 HE ARG 29 0.724 -20.957 2.783 221 HH11 ARG 29 1HH1 ARG 29 2.327 -18.404 1.043 222 HH12 ARG 29 2HH1 ARG 29 2.878 -19.441 -0.231 223 HH21 ARG 29 1HH2 ARG 29 1.443 -22.333 1.112 224 HH22 ARG 29 2HH2 ARG 29 2.374 -21.676 -0.191 225 H TRP 30 H TRP 30 2.976 -15.050 6.990 226 HA TRP 30 HA TRP 30 3.142 -12.631 5.334 227 HB2 TRP 30 1HB TRP 30 1.945 -11.514 7.179 228 HB3 TRP 30 2HB TRP 30 1.051 -12.901 6.563 229 HD1 TRP 30 HD1 TRP 30 3.005 -11.726 9.642 230 HE1 TRP 30 HE1 TRP 30 2.423 -13.268 11.619 231 HE3 TRP 30 HE3 TRP 30 0.253 -15.240 7.149 232 HZ2 TRP 30 HZ2 TRP 30 0.988 -15.657 12.063 233 HZ3 TRP 30 HZ3 TRP 30 -0.689 -17.123 8.424 234 HH2 TRP 30 HH2 TRP 30 -0.328 -17.325 10.830 235 H CYS 31 H CYS 31 4.477 -10.924 5.868 236 HA CYS 31 HA CYS 31 6.938 -11.521 7.059 237 HB2 CYS 31 1HB CYS 31 5.590 -9.041 6.112 238 HB3 CYS 31 2HB CYS 31 6.994 -8.854 7.158 239 H LYS 32 H LYS 32 7.648 -11.490 9.095 240 HA LYS 32 HA LYS 32 6.090 -10.050 11.126 241 HB2 LYS 32 1HB LYS 32 6.693 -12.953 11.004 242 HB3 LYS 32 2HB LYS 32 6.867 -12.180 12.574 243 HG2 LYS 32 1HG LYS 32 4.381 -11.619 11.075 244 HG3 LYS 32 2HG LYS 32 4.580 -13.246 11.730 245 HD2 LYS 32 1HD LYS 32 5.359 -11.662 13.829 246 HD3 LYS 32 2HD LYS 32 4.059 -10.715 13.101 247 HE2 LYS 32 1HE LYS 32 2.485 -12.410 13.427 248 HE3 LYS 32 2HE LYS 32 3.724 -13.644 13.652 249 HZ1 LYS 32 3HZ LYS 32 4.245 -11.924 15.659 250 HZ2 LYS 32 1HZ LYS 32 3.319 -13.332 15.811 251 HZ3 LYS 32 2HZ LYS 32 2.557 -11.842 15.573 252 H TYR 33 H TYR 33 7.271 -9.365 12.949 253 HA TYR 33 HA TYR 33 9.975 -8.677 12.409 254 HB2 TYR 33 1HB TYR 33 9.907 -7.824 14.806 255 HB3 TYR 33 2HB TYR 33 8.726 -7.130 13.700 256 HD1 TYR 33 HD1 TYR 33 9.034 -9.963 16.122 257 HD2 TYR 33 HD2 TYR 33 6.539 -6.966 14.420 258 HE1 TYR 33 HE1 TYR 33 7.227 -10.600 17.664 259 HE2 TYR 33 HE2 TYR 33 4.726 -7.593 15.958 260 HH TYR 33 HH TYR 33 4.378 -10.241 17.407 261 H GLN 34 H GLN 34 11.861 -9.303 13.516 262 HA GLN 34 HA GLN 34 12.197 -12.029 13.936 263 HB2 GLN 34 1HB GLN 34 13.833 -9.662 14.832 264 HB3 GLN 34 2HB GLN 34 14.343 -11.321 15.115 265 HG2 GLN 34 1HG GLN 34 14.275 -11.727 12.687 266 HG3 GLN 34 2HG GLN 34 13.850 -10.035 12.440 267 HE21 GLN 34 2HE2 GLN 34 16.354 -12.270 12.867 268 HE22 GLN 34 1HE2 GLN 34 17.668 -11.152 12.946 269 H ILE 35 H ILE 35 12.119 -13.359 15.676 270 HA ILE 35 HA ILE 35 10.603 -12.494 17.947 271 HB ILE 35 HB ILE 35 12.022 -15.125 17.515 272 HG12 ILE 35 1HG1 ILE 35 10.416 -14.698 15.729 273 HG13 ILE 35 2HG1 ILE 35 9.805 -15.952 16.802 274 HG21 ILE 35 1HG2 ILE 35 11.538 -15.238 19.731 275 HG22 ILE 35 2HG2 ILE 35 10.216 -14.078 19.615 276 HG23 ILE 35 3HG2 ILE 35 9.973 -15.745 19.096 277 HD11 ILE 35 3HD1 ILE 35 7.926 -14.792 16.914 278 HD12 ILE 35 1HD1 ILE 35 8.807 -13.586 17.852 279 HD13 ILE 35 2HD1 ILE 35 8.658 -13.407 16.104 Start of MODEL 14 1 H1 GLU 1 H GLU 1 2.523 1.590 0.328 2 HA GLU 1 HA GLU 1 1.401 -0.145 -0.820 3 HB2 GLU 1 1HB GLU 1 1.799 0.252 -3.191 4 HB3 GLU 1 2HB GLU 1 1.801 1.771 -2.305 5 HG2 GLU 1 1HG GLU 1 4.365 0.349 -2.880 6 HG3 GLU 1 2HG GLU 1 3.596 1.351 -4.109 7 H CYS 2 H CYS 2 3.492 -1.378 0.617 8 HA CYS 2 HA CYS 2 4.074 -3.590 -1.198 9 HB2 CYS 2 1HB CYS 2 6.415 -3.708 -0.165 10 HB3 CYS 2 2HB CYS 2 6.133 -2.455 -1.369 11 H LEU 3 H LEU 3 4.526 -5.586 -0.118 12 HA LEU 3 HA LEU 3 2.933 -6.040 2.151 13 HB2 LEU 3 1HB LEU 3 4.150 -8.268 2.199 14 HB3 LEU 3 2HB LEU 3 3.260 -7.866 0.732 15 HG LEU 3 HG LEU 3 5.828 -6.963 0.218 16 HD11 LEU 3 1HD1 LEU 3 7.089 -8.007 1.773 17 HD12 LEU 3 2HD1 LEU 3 6.923 -9.367 0.663 18 HD13 LEU 3 3HD1 LEU 3 5.880 -9.254 2.080 19 HD21 LEU 3 3HD2 LEU 3 5.672 -9.495 -0.895 20 HD22 LEU 3 1HD2 LEU 3 5.104 -7.991 -1.619 21 HD23 LEU 3 2HD2 LEU 3 3.989 -9.004 -0.702 22 H GLU 4 H GLU 4 3.519 -4.740 3.866 23 HA GLU 4 HA GLU 4 6.246 -4.869 4.879 24 HB2 GLU 4 1HB GLU 4 3.828 -3.233 5.610 25 HB3 GLU 4 2HB GLU 4 5.258 -3.266 6.631 26 HG2 GLU 4 1HG GLU 4 6.504 -2.653 4.429 27 HG3 GLU 4 2HG GLU 4 4.907 -2.128 3.899 28 H ILE 5 H ILE 5 3.740 -4.469 7.188 29 HA ILE 5 HA ILE 5 4.589 -6.900 8.544 30 HB ILE 5 HB ILE 5 4.377 -4.726 9.770 31 HG12 ILE 5 1HG1 ILE 5 2.683 -5.948 11.532 32 HG13 ILE 5 2HG1 ILE 5 3.194 -7.310 10.542 33 HG21 ILE 5 1HG2 ILE 5 1.490 -4.992 10.115 34 HG22 ILE 5 2HG2 ILE 5 2.476 -3.552 9.868 35 HG23 ILE 5 3HG2 ILE 5 1.970 -4.522 8.485 36 HD11 ILE 5 3HD1 ILE 5 5.384 -7.144 11.211 37 HD12 ILE 5 1HD1 ILE 5 5.238 -5.440 11.638 38 HD13 ILE 5 2HD1 ILE 5 4.523 -6.673 12.676 39 H PHE 6 H PHE 6 3.290 -8.626 9.014 40 HA PHE 6 HA PHE 6 1.643 -10.159 8.666 41 HB2 PHE 6 1HB PHE 6 -0.140 -7.716 8.746 42 HB3 PHE 6 2HB PHE 6 -0.656 -9.382 8.988 43 HD1 PHE 6 HD1 PHE 6 0.725 -10.645 10.891 44 HD2 PHE 6 HD2 PHE 6 0.185 -6.432 10.612 45 HE1 PHE 6 HE1 PHE 6 1.164 -10.433 13.303 46 HE2 PHE 6 HE2 PHE 6 0.624 -6.213 13.023 47 HZ PHE 6 HZ PHE 6 1.115 -8.215 14.372 48 H LYS 7 H LYS 7 2.821 -8.574 6.334 49 HA LYS 7 HA LYS 7 0.684 -8.964 4.363 50 HB2 LYS 7 1HB LYS 7 3.375 -7.626 4.030 51 HB3 LYS 7 2HB LYS 7 2.083 -7.667 2.838 52 HG2 LYS 7 1HG LYS 7 2.278 -6.104 5.367 53 HG3 LYS 7 2HG LYS 7 1.825 -5.573 3.745 54 HD2 LYS 7 1HD LYS 7 -0.258 -6.978 4.002 55 HD3 LYS 7 2HD LYS 7 0.179 -7.166 5.701 56 HE2 LYS 7 1HE LYS 7 -1.405 -5.358 5.464 57 HE3 LYS 7 2HE LYS 7 0.163 -4.712 5.945 58 HZ1 LYS 7 3HZ LYS 7 -0.907 -3.406 4.183 59 HZ2 LYS 7 1HZ LYS 7 -0.865 -4.752 3.160 60 HZ3 LYS 7 2HZ LYS 7 0.578 -4.046 3.687 61 H ALA 8 H ALA 8 0.714 -10.610 2.968 62 HA ALA 8 HA ALA 8 2.564 -12.725 3.229 63 HB1 ALA 8 1HB ALA 8 1.419 -13.348 0.913 64 HB2 ALA 8 2HB ALA 8 0.582 -13.526 2.456 65 HB3 ALA 8 3HB ALA 8 0.277 -12.114 1.445 66 H CYS 9 H CYS 9 4.308 -13.337 2.027 67 HA CYS 9 HA CYS 9 5.303 -11.355 0.091 68 HB2 CYS 9 1HB CYS 9 7.555 -12.322 0.587 69 HB3 CYS 9 2HB CYS 9 6.784 -11.566 1.978 70 H ASN 10 H ASN 10 5.702 -11.935 -1.961 71 HA ASN 10 HA ASN 10 4.750 -14.433 -2.927 72 HB2 ASN 10 1HB ASN 10 5.719 -13.613 -5.123 73 HB3 ASN 10 2HB ASN 10 4.528 -12.553 -4.372 74 HD21 ASN 10 2HD2 ASN 10 5.198 -10.660 -5.232 75 HD22 ASN 10 1HD2 ASN 10 6.735 -9.940 -4.907 76 HA PRO 11 HA PRO 11 8.337 -16.960 -2.698 77 HB2 PRO 11 1HB PRO 11 7.929 -18.582 -4.836 78 HB3 PRO 11 2HB PRO 11 6.987 -18.703 -3.346 79 HG2 PRO 11 1HG PRO 11 6.281 -17.368 -5.930 80 HG3 PRO 11 2HG PRO 11 5.273 -18.385 -4.884 81 HD2 PRO 11 1HD PRO 11 5.112 -15.682 -4.881 82 HD3 PRO 11 2HD PRO 11 4.822 -16.657 -3.426 83 H SER 12 H SER 12 7.704 -14.972 -5.430 84 HA SER 12 HA SER 12 10.069 -15.616 -6.908 85 HB2 SER 12 1HB SER 12 7.813 -14.443 -7.661 86 HB3 SER 12 2HB SER 12 8.699 -12.980 -7.232 87 HG SER 12 HG SER 12 8.952 -13.644 -9.450 88 H ASN 13 H ASN 13 9.110 -12.717 -5.059 89 HA ASN 13 HA ASN 13 11.909 -11.907 -4.908 90 HB2 ASN 13 1HB ASN 13 9.601 -10.384 -3.724 91 HB3 ASN 13 2HB ASN 13 11.148 -9.768 -4.300 92 HD21 ASN 13 2HD2 ASN 13 8.436 -8.952 -4.984 93 HD22 ASN 13 1HD2 ASN 13 8.303 -9.126 -6.698 94 H ASP 14 H ASP 14 9.174 -12.400 -2.678 95 HA ASP 14 HA ASP 14 9.086 -13.047 -0.499 96 HB2 ASP 14 1HB ASP 14 11.447 -14.400 -1.580 97 HB3 ASP 14 2HB ASP 14 11.522 -14.153 0.163 98 H GLN 15 H GLN 15 11.596 -11.020 -1.627 99 HA GLN 15 HA GLN 15 12.717 -10.277 0.878 100 HB2 GLN 15 1HB GLN 15 13.604 -8.312 -0.404 101 HB3 GLN 15 2HB GLN 15 14.002 -9.878 -1.098 102 HG2 GLN 15 1HG GLN 15 13.199 -9.163 -3.026 103 HG3 GLN 15 2HG GLN 15 11.595 -9.126 -2.294 104 HE21 GLN 15 2HE2 GLN 15 10.866 -7.361 -3.401 105 HE22 GLN 15 1HE2 GLN 15 11.490 -5.767 -3.168 106 H CYS 16 H CYS 16 11.440 -9.473 2.426 107 HA CYS 16 HA CYS 16 9.067 -8.043 2.035 108 HB2 CYS 16 1HB CYS 16 10.246 -9.170 4.184 109 HB3 CYS 16 2HB CYS 16 10.606 -7.476 4.504 110 H CYS 17 H CYS 17 8.566 -5.837 2.284 111 HA CYS 17 HA CYS 17 10.123 -4.026 0.923 112 HB2 CYS 17 1HB CYS 17 7.644 -3.919 1.872 113 HB3 CYS 17 2HB CYS 17 8.426 -2.987 3.145 114 H LYS 18 H LYS 18 11.459 -2.288 1.531 115 HA LYS 18 HA LYS 18 13.070 -2.841 3.887 116 HB2 LYS 18 1HB LYS 18 13.440 -0.802 1.684 117 HB3 LYS 18 2HB LYS 18 14.602 -1.147 2.959 118 HG2 LYS 18 1HG LYS 18 13.656 -3.185 0.959 119 HG3 LYS 18 2HG LYS 18 15.113 -2.207 0.765 120 HD2 LYS 18 1HD LYS 18 15.695 -3.134 3.140 121 HD3 LYS 18 2HD LYS 18 14.538 -4.397 2.715 122 HE2 LYS 18 1HE LYS 18 15.850 -5.210 1.007 123 HE3 LYS 18 2HE LYS 18 16.675 -3.671 0.766 124 HZ1 LYS 18 3HZ LYS 18 18.005 -5.514 1.829 125 HZ2 LYS 18 1HZ LYS 18 17.053 -5.296 3.211 126 HZ3 LYS 18 2HZ LYS 18 18.016 -4.029 2.639 127 H SER 19 H SER 19 10.539 -1.974 4.572 128 HA SER 19 HA SER 19 10.965 0.810 5.432 129 HB2 SER 19 1HB SER 19 8.372 0.479 5.965 130 HB3 SER 19 2HB SER 19 8.938 0.933 4.358 131 HG SER 19 HG SER 19 7.892 -0.792 3.766 132 H SER 20 H SER 20 11.165 -2.309 6.512 133 HA SER 20 HA SER 20 11.552 -1.584 9.206 134 HB2 SER 20 1HB SER 20 8.845 -1.917 8.565 135 HB3 SER 20 2HB SER 20 9.309 -3.411 9.377 136 HG SER 20 HG SER 20 8.673 -1.235 10.557 137 H LYS 21 H LYS 21 12.343 -3.301 10.471 138 HA LYS 21 HA LYS 21 13.591 -5.383 8.992 139 HB2 LYS 21 1HB LYS 21 13.478 -4.564 11.855 140 HB3 LYS 21 2HB LYS 21 14.013 -6.199 11.489 141 HG2 LYS 21 1HG LYS 21 15.861 -5.427 10.251 142 HG3 LYS 21 2HG LYS 21 15.228 -3.780 10.190 143 HD2 LYS 21 1HD LYS 21 15.380 -3.939 12.795 144 HD3 LYS 21 2HD LYS 21 16.528 -5.235 12.453 145 HE2 LYS 21 1HE LYS 21 16.747 -2.509 11.204 146 HE3 LYS 21 2HE LYS 21 17.483 -2.897 12.758 147 HZ1 LYS 21 3HZ LYS 21 18.349 -4.922 11.246 148 HZ2 LYS 21 1HZ LYS 21 19.213 -3.487 11.483 149 HZ3 LYS 21 2HZ LYS 21 18.276 -3.689 10.089 150 H LEU 22 H LEU 22 11.836 -6.502 8.024 151 HA LEU 22 HA LEU 22 10.411 -8.285 9.888 152 HB2 LEU 22 1HB LEU 22 9.425 -7.181 7.261 153 HB3 LEU 22 2HB LEU 22 8.571 -8.359 8.256 154 HG LEU 22 HG LEU 22 9.246 -5.579 9.201 155 HD11 LEU 22 1HD1 LEU 22 7.271 -4.757 8.407 156 HD12 LEU 22 2HD1 LEU 22 6.496 -6.340 8.368 157 HD13 LEU 22 3HD1 LEU 22 7.661 -5.898 7.120 158 HD21 LEU 22 3HD2 LEU 22 7.110 -6.305 10.607 159 HD22 LEU 22 1HD2 LEU 22 8.752 -6.701 11.115 160 HD23 LEU 22 2HD2 LEU 22 7.770 -7.910 10.288 161 H VAL 23 H VAL 23 10.107 -10.437 9.238 162 HA VAL 23 HA VAL 23 11.579 -11.294 6.843 163 HB VAL 23 HB VAL 23 11.744 -12.828 9.427 164 HG11 VAL 23 1HG1 VAL 23 13.997 -13.191 7.784 165 HG12 VAL 23 2HG1 VAL 23 12.704 -14.344 8.119 166 HG13 VAL 23 3HG1 VAL 23 12.589 -13.267 6.726 167 HG21 VAL 23 3HG2 VAL 23 12.981 -11.126 10.219 168 HG22 VAL 23 1HG2 VAL 23 14.222 -11.746 9.129 169 HG23 VAL 23 2HG2 VAL 23 13.193 -10.406 8.623 170 H CYS 24 H CYS 24 10.832 -13.182 5.860 171 HA CYS 24 HA CYS 24 8.492 -14.502 7.004 172 HB2 CYS 24 1HB CYS 24 7.099 -14.165 5.107 173 HB3 CYS 24 2HB CYS 24 7.733 -12.579 5.535 174 H SER 25 H SER 25 11.370 -15.087 6.258 175 HA SER 25 HA SER 25 11.380 -16.855 4.050 176 HB2 SER 25 1HB SER 25 13.478 -17.768 5.348 177 HB3 SER 25 2HB SER 25 13.515 -16.158 4.630 178 HG SER 25 HG SER 25 14.255 -16.062 6.755 179 H ARG 26 H ARG 26 11.938 -17.829 7.424 180 HA ARG 26 HA ARG 26 10.620 -20.374 6.851 181 HB2 ARG 26 1HB ARG 26 11.579 -21.024 9.099 182 HB3 ARG 26 2HB ARG 26 12.757 -20.656 7.845 183 HG2 ARG 26 1HG ARG 26 13.172 -18.489 8.798 184 HG3 ARG 26 2HG ARG 26 11.884 -18.723 9.980 185 HD2 ARG 26 1HD ARG 26 14.176 -19.100 10.881 186 HD3 ARG 26 2HD ARG 26 13.096 -20.483 11.053 187 HE ARG 26 HE ARG 26 14.525 -21.682 9.744 188 HH11 ARG 26 1HH1 ARG 26 15.074 -18.293 9.166 189 HH12 ARG 26 2HH1 ARG 26 16.431 -18.557 8.123 190 HH21 ARG 26 1HH2 ARG 26 16.311 -22.043 8.372 191 HH22 ARG 26 2HH2 ARG 26 17.134 -20.691 7.671 192 H LYS 27 H LYS 27 10.092 -17.415 8.492 193 HA LYS 27 HA LYS 27 8.304 -18.292 10.501 194 HB2 LYS 27 1HB LYS 27 8.299 -15.598 9.135 195 HB3 LYS 27 2HB LYS 27 7.688 -15.979 10.739 196 HG2 LYS 27 1HG LYS 27 10.579 -16.271 9.974 197 HG3 LYS 27 2HG LYS 27 9.900 -14.793 10.660 198 HD2 LYS 27 1HD LYS 27 9.084 -16.200 12.587 199 HD3 LYS 27 2HD LYS 27 10.055 -17.520 11.931 200 HE2 LYS 27 1HE LYS 27 11.231 -14.822 12.533 201 HE3 LYS 27 2HE LYS 27 11.101 -16.078 13.764 202 HZ1 LYS 27 3HZ LYS 27 12.251 -17.466 11.844 203 HZ2 LYS 27 1HZ LYS 27 13.144 -16.572 12.969 204 HZ3 LYS 27 2HZ LYS 27 12.843 -15.937 11.431 205 H THR 28 H THR 28 6.016 -16.795 10.198 206 HA THR 28 HA THR 28 4.365 -18.495 8.711 207 HB THR 28 HB THR 28 2.759 -16.380 8.893 208 HG1 THR 28 HG1 THR 28 4.414 -15.850 11.103 209 HG21 THR 28 3HG2 THR 28 1.998 -18.075 10.186 210 HG22 THR 28 1HG2 THR 28 2.678 -17.105 11.492 211 HG23 THR 28 2HG2 THR 28 3.599 -18.452 10.821 212 H ARG 29 H ARG 29 2.851 -17.727 6.955 213 HA ARG 29 HA ARG 29 4.304 -17.089 4.651 214 HB2 ARG 29 1HB ARG 29 1.402 -17.275 5.324 215 HB3 ARG 29 2HB ARG 29 1.861 -16.535 3.796 216 HG2 ARG 29 1HG ARG 29 3.118 -18.583 3.224 217 HG3 ARG 29 2HG ARG 29 2.538 -19.319 4.719 218 HD2 ARG 29 1HD ARG 29 0.980 -20.108 3.237 219 HD3 ARG 29 2HD ARG 29 0.190 -18.625 3.772 220 HE ARG 29 HE ARG 29 0.343 -17.853 1.635 221 HH11 ARG 29 1HH1 ARG 29 2.737 -20.341 2.083 222 HH12 ARG 29 2HH1 ARG 29 3.249 -20.328 0.428 223 HH21 ARG 29 1HH2 ARG 29 1.009 -17.826 -0.546 224 HH22 ARG 29 2HH2 ARG 29 2.266 -18.896 -1.067 225 H TRP 30 H TRP 30 2.978 -15.074 7.080 226 HA TRP 30 HA TRP 30 3.178 -12.705 5.353 227 HB2 TRP 30 1HB TRP 30 1.960 -11.534 7.171 228 HB3 TRP 30 2HB TRP 30 1.058 -12.899 6.518 229 HD1 TRP 30 HD1 TRP 30 2.865 -11.740 9.680 230 HE1 TRP 30 HE1 TRP 30 2.199 -13.288 11.625 231 HE3 TRP 30 HE3 TRP 30 0.268 -15.273 7.052 232 HZ2 TRP 30 HZ2 TRP 30 0.763 -15.690 11.996 233 HZ3 TRP 30 HZ3 TRP 30 -0.720 -17.164 8.277 234 HH2 TRP 30 HH2 TRP 30 -0.476 -17.367 10.698 235 H CYS 31 H CYS 31 4.504 -10.986 5.871 236 HA CYS 31 HA CYS 31 6.934 -11.553 7.138 237 HB2 CYS 31 1HB CYS 31 5.624 -9.131 6.035 238 HB3 CYS 31 2HB CYS 31 6.941 -8.861 7.172 239 H LYS 32 H LYS 32 7.609 -11.440 9.185 240 HA LYS 32 HA LYS 32 5.926 -10.028 11.143 241 HB2 LYS 32 1HB LYS 32 7.061 -12.810 11.305 242 HB3 LYS 32 2HB LYS 32 6.649 -11.904 12.756 243 HG2 LYS 32 1HG LYS 32 4.575 -12.083 10.655 244 HG3 LYS 32 2HG LYS 32 4.949 -13.558 11.550 245 HD2 LYS 32 1HD LYS 32 4.584 -11.087 13.139 246 HD3 LYS 32 2HD LYS 32 3.142 -11.764 12.380 247 HE2 LYS 32 1HE LYS 32 3.104 -12.911 14.351 248 HE3 LYS 32 2HE LYS 32 4.101 -14.008 13.398 249 HZ1 LYS 32 3HZ LYS 32 5.849 -13.644 14.704 250 HZ2 LYS 32 1HZ LYS 32 4.775 -12.929 15.799 251 HZ3 LYS 32 2HZ LYS 32 5.630 -11.966 14.703 252 H TYR 33 H TYR 33 7.010 -9.156 12.946 253 HA TYR 33 HA TYR 33 9.632 -8.207 12.397 254 HB2 TYR 33 1HB TYR 33 9.457 -7.263 14.743 255 HB3 TYR 33 2HB TYR 33 8.192 -6.766 13.624 256 HD1 TYR 33 HD1 TYR 33 8.866 -9.416 16.173 257 HD2 TYR 33 HD2 TYR 33 6.001 -6.853 14.349 258 HE1 TYR 33 HE1 TYR 33 7.161 -10.200 17.764 259 HE2 TYR 33 HE2 TYR 33 4.289 -7.629 15.935 260 HH TYR 33 HH TYR 33 4.598 -10.354 17.786 261 H GLN 34 H GLN 34 11.563 -8.592 13.536 262 HA GLN 34 HA GLN 34 12.242 -11.220 14.009 263 HB2 GLN 34 1HB GLN 34 13.454 -8.609 14.814 264 HB3 GLN 34 2HB GLN 34 14.117 -10.094 15.483 265 HG2 GLN 34 1HG GLN 34 13.720 -9.899 12.542 266 HG3 GLN 34 2HG GLN 34 15.074 -9.047 13.283 267 HE21 GLN 34 2HE2 GLN 34 16.017 -10.712 11.664 268 HE22 GLN 34 1HE2 GLN 34 16.512 -12.211 12.365 269 H ILE 35 H ILE 35 12.408 -12.537 15.792 270 HA ILE 35 HA ILE 35 11.078 -11.565 18.237 271 HB ILE 35 HB ILE 35 11.046 -14.373 17.123 272 HG12 ILE 35 1HG1 ILE 35 8.457 -13.634 17.249 273 HG13 ILE 35 2HG1 ILE 35 9.191 -12.066 16.934 274 HG21 ILE 35 1HG2 ILE 35 9.339 -14.710 18.954 275 HG22 ILE 35 2HG2 ILE 35 11.012 -14.535 19.481 276 HG23 ILE 35 3HG2 ILE 35 9.894 -13.179 19.631 277 HD11 ILE 35 3HD1 ILE 35 8.548 -13.049 14.858 278 HD12 ILE 35 1HD1 ILE 35 10.309 -13.056 14.955 279 HD13 ILE 35 2HD1 ILE 35 9.404 -14.542 15.244 Start of MODEL 15 1 H1 GLU 1 H GLU 1 1.328 0.438 0.685 2 HA GLU 1 HA GLU 1 2.580 0.873 -1.814 3 HB2 GLU 1 1HB GLU 1 3.667 0.951 1.003 4 HB3 GLU 1 2HB GLU 1 4.590 1.437 -0.412 5 HG2 GLU 1 1HG GLU 1 1.969 2.676 0.382 6 HG3 GLU 1 2HG GLU 1 3.544 3.308 0.858 7 H CYS 2 H CYS 2 3.461 -1.332 0.849 8 HA CYS 2 HA CYS 2 4.227 -3.385 -1.024 9 HB2 CYS 2 1HB CYS 2 6.558 -3.546 0.017 10 HB3 CYS 2 2HB CYS 2 6.290 -2.247 -1.140 11 H LEU 3 H LEU 3 4.599 -5.420 -0.024 12 HA LEU 3 HA LEU 3 3.020 -5.911 2.247 13 HB2 LEU 3 1HB LEU 3 4.154 -8.179 2.188 14 HB3 LEU 3 2HB LEU 3 3.266 -7.687 0.747 15 HG LEU 3 HG LEU 3 5.851 -6.854 0.230 16 HD11 LEU 3 1HD1 LEU 3 7.129 -7.975 1.704 17 HD12 LEU 3 2HD1 LEU 3 6.857 -9.327 0.605 18 HD13 LEU 3 3HD1 LEU 3 5.871 -9.161 2.058 19 HD21 LEU 3 3HD2 LEU 3 5.594 -9.370 -0.931 20 HD22 LEU 3 1HD2 LEU 3 5.109 -7.824 -1.628 21 HD23 LEU 3 2HD2 LEU 3 3.938 -8.793 -0.733 22 H GLU 4 H GLU 4 3.682 -4.684 3.993 23 HA GLU 4 HA GLU 4 6.413 -4.961 4.964 24 HB2 GLU 4 1HB GLU 4 4.074 -3.278 5.854 25 HB3 GLU 4 2HB GLU 4 5.584 -3.355 6.752 26 HG2 GLU 4 1HG GLU 4 6.712 -2.664 4.570 27 HG3 GLU 4 2HG GLU 4 5.093 -2.247 4.013 28 H ILE 5 H ILE 5 3.957 -4.534 7.320 29 HA ILE 5 HA ILE 5 4.719 -7.044 8.583 30 HB ILE 5 HB ILE 5 4.607 -4.890 9.872 31 HG12 ILE 5 1HG1 ILE 5 2.913 -6.134 11.629 32 HG13 ILE 5 2HG1 ILE 5 3.395 -7.471 10.592 33 HG21 ILE 5 1HG2 ILE 5 1.724 -5.095 10.282 34 HG22 ILE 5 2HG2 ILE 5 2.740 -3.672 10.054 35 HG23 ILE 5 3HG2 ILE 5 2.176 -4.586 8.655 36 HD11 ILE 5 3HD1 ILE 5 5.595 -7.351 11.236 37 HD12 ILE 5 1HD1 ILE 5 5.475 -5.657 11.713 38 HD13 ILE 5 2HD1 ILE 5 4.760 -6.912 12.726 39 H PHE 6 H PHE 6 3.338 -8.715 9.049 40 HA PHE 6 HA PHE 6 1.630 -10.170 8.656 41 HB2 PHE 6 1HB PHE 6 -0.023 -7.646 8.891 42 HB3 PHE 6 2HB PHE 6 -0.638 -9.290 9.028 43 HD1 PHE 6 HD1 PHE 6 0.639 -10.760 10.836 44 HD2 PHE 6 HD2 PHE 6 0.430 -6.509 10.827 45 HE1 PHE 6 HE1 PHE 6 1.106 -10.735 13.252 46 HE2 PHE 6 HE2 PHE 6 0.897 -6.477 13.242 47 HZ PHE 6 HZ PHE 6 1.236 -8.592 14.458 48 H LYS 7 H LYS 7 2.845 -8.596 6.359 49 HA LYS 7 HA LYS 7 0.652 -8.774 4.420 50 HB2 LYS 7 1HB LYS 7 3.420 -7.601 4.098 51 HB3 LYS 7 2HB LYS 7 2.130 -7.539 2.904 52 HG2 LYS 7 1HG LYS 7 2.429 -6.035 5.454 53 HG3 LYS 7 2HG LYS 7 1.970 -5.460 3.849 54 HD2 LYS 7 1HD LYS 7 -0.178 -6.741 4.120 55 HD3 LYS 7 2HD LYS 7 0.284 -7.021 5.800 56 HE2 LYS 7 1HE LYS 7 -1.063 -5.139 5.945 57 HE3 LYS 7 2HE LYS 7 0.560 -4.453 5.904 58 HZ1 LYS 7 3HZ LYS 7 0.237 -3.575 3.861 59 HZ2 LYS 7 1HZ LYS 7 -1.384 -3.599 4.346 60 HZ3 LYS 7 2HZ LYS 7 -0.783 -4.821 3.343 61 H ALA 8 H ALA 8 0.682 -10.171 2.714 62 HA ALA 8 HA ALA 8 2.255 -12.526 2.953 63 HB1 ALA 8 1HB ALA 8 1.010 -13.381 1.172 64 HB2 ALA 8 2HB ALA 8 -0.103 -12.278 1.982 65 HB3 ALA 8 3HB ALA 8 0.705 -11.781 0.495 66 H CYS 9 H CYS 9 4.102 -13.117 1.976 67 HA CYS 9 HA CYS 9 5.328 -11.184 0.127 68 HB2 CYS 9 1HB CYS 9 7.490 -12.166 0.811 69 HB3 CYS 9 2HB CYS 9 6.600 -11.506 2.179 70 H ASN 10 H ASN 10 5.894 -11.783 -1.883 71 HA ASN 10 HA ASN 10 4.905 -14.228 -2.944 72 HB2 ASN 10 1HB ASN 10 5.836 -11.751 -3.967 73 HB3 ASN 10 2HB ASN 10 6.798 -13.018 -4.723 74 HD21 ASN 10 2HD2 ASN 10 6.001 -13.405 -6.654 75 HD22 ASN 10 1HD2 ASN 10 4.329 -13.602 -7.044 76 HA PRO 11 HA PRO 11 8.324 -16.935 -2.406 77 HB2 PRO 11 1HB PRO 11 8.026 -18.536 -4.578 78 HB3 PRO 11 2HB PRO 11 6.950 -18.607 -3.178 79 HG2 PRO 11 1HG PRO 11 6.546 -17.240 -5.810 80 HG3 PRO 11 2HG PRO 11 5.398 -18.203 -4.862 81 HD2 PRO 11 1HD PRO 11 5.376 -15.495 -4.862 82 HD3 PRO 11 2HD PRO 11 4.908 -16.454 -3.443 83 H SER 12 H SER 12 7.953 -15.216 -5.437 84 HA SER 12 HA SER 12 10.474 -15.887 -6.545 85 HB2 SER 12 1HB SER 12 9.792 -13.383 -7.571 86 HB3 SER 12 2HB SER 12 9.401 -14.949 -8.280 87 HG SER 12 HG SER 12 7.435 -14.188 -8.016 88 H ASN 13 H ASN 13 9.397 -12.761 -5.198 89 HA ASN 13 HA ASN 13 12.120 -11.903 -4.827 90 HB2 ASN 13 1HB ASN 13 9.660 -10.530 -3.752 91 HB3 ASN 13 2HB ASN 13 11.214 -9.811 -4.163 92 HD21 ASN 13 2HD2 ASN 13 11.512 -9.031 -6.149 93 HD22 ASN 13 1HD2 ASN 13 10.394 -9.193 -7.456 94 H ASP 14 H ASP 14 9.370 -12.445 -2.622 95 HA ASP 14 HA ASP 14 9.272 -13.069 -0.436 96 HB2 ASP 14 1HB ASP 14 11.646 -14.417 -1.492 97 HB3 ASP 14 2HB ASP 14 11.722 -14.142 0.247 98 H GLN 15 H GLN 15 11.771 -11.031 -1.569 99 HA GLN 15 HA GLN 15 12.870 -10.253 0.934 100 HB2 GLN 15 1HB GLN 15 12.853 -8.915 -1.771 101 HB3 GLN 15 2HB GLN 15 13.710 -8.265 -0.380 102 HG2 GLN 15 1HG GLN 15 14.214 -10.891 -1.757 103 HG3 GLN 15 2HG GLN 15 15.250 -9.465 -1.763 104 HE21 GLN 15 2HE2 GLN 15 16.141 -8.791 0.314 105 HE22 GLN 15 1HE2 GLN 15 16.527 -9.999 1.487 106 H CYS 16 H CYS 16 11.465 -9.547 2.444 107 HA CYS 16 HA CYS 16 9.137 -8.064 1.981 108 HB2 CYS 16 1HB CYS 16 10.250 -9.271 4.158 109 HB3 CYS 16 2HB CYS 16 10.484 -7.571 4.556 110 H CYS 17 H CYS 17 8.652 -5.863 2.290 111 HA CYS 17 HA CYS 17 10.311 -4.025 1.094 112 HB2 CYS 17 1HB CYS 17 7.784 -3.908 1.875 113 HB3 CYS 17 2HB CYS 17 8.484 -3.068 3.255 114 H LYS 18 H LYS 18 11.633 -2.335 1.847 115 HA LYS 18 HA LYS 18 13.166 -3.024 4.198 116 HB2 LYS 18 1HB LYS 18 13.461 -1.073 1.953 117 HB3 LYS 18 2HB LYS 18 14.372 -0.804 3.433 118 HG2 LYS 18 1HG LYS 18 14.451 -3.414 1.951 119 HG3 LYS 18 2HG LYS 18 15.540 -2.074 1.581 120 HD2 LYS 18 1HD LYS 18 16.069 -2.109 4.109 121 HD3 LYS 18 2HD LYS 18 15.348 -3.720 4.081 122 HE2 LYS 18 1HE LYS 18 17.607 -4.146 3.748 123 HE3 LYS 18 2HE LYS 18 16.953 -4.159 2.111 124 HZ1 LYS 18 3HZ LYS 18 18.027 -2.261 1.567 125 HZ2 LYS 18 1HZ LYS 18 19.096 -2.779 2.772 126 HZ3 LYS 18 2HZ LYS 18 17.930 -1.605 3.124 127 H SER 19 H SER 19 10.365 -1.391 3.774 128 HA SER 19 HA SER 19 10.673 0.988 5.217 129 HB2 SER 19 1HB SER 19 8.116 0.303 5.808 130 HB3 SER 19 2HB SER 19 8.607 1.006 4.267 131 HG SER 19 HG SER 19 8.493 -1.783 4.777 132 H SER 20 H SER 20 10.536 -2.303 6.256 133 HA SER 20 HA SER 20 11.172 -1.540 8.955 134 HB2 SER 20 1HB SER 20 8.449 -2.436 8.227 135 HB3 SER 20 2HB SER 20 9.160 -3.229 9.632 136 HG SER 20 HG SER 20 8.064 -0.827 9.503 137 H LYS 21 H LYS 21 12.005 -3.257 10.192 138 HA LYS 21 HA LYS 21 13.213 -5.336 8.657 139 HB2 LYS 21 1HB LYS 21 13.990 -4.095 10.869 140 HB3 LYS 21 2HB LYS 21 13.158 -5.440 11.638 141 HG2 LYS 21 1HG LYS 21 14.710 -6.953 10.991 142 HG3 LYS 21 2HG LYS 21 15.054 -6.118 9.475 143 HD2 LYS 21 1HD LYS 21 16.562 -4.675 10.458 144 HD3 LYS 21 2HD LYS 21 15.837 -4.843 12.059 145 HE2 LYS 21 1HE LYS 21 17.099 -7.226 10.792 146 HE3 LYS 21 2HE LYS 21 18.140 -5.978 11.475 147 HZ1 LYS 21 3HZ LYS 21 15.936 -6.889 13.144 148 HZ2 LYS 21 1HZ LYS 21 17.521 -6.478 13.571 149 HZ3 LYS 21 2HZ LYS 21 17.193 -7.994 12.895 150 H LEU 22 H LEU 22 11.758 -6.769 7.833 151 HA LEU 22 HA LEU 22 10.325 -8.419 9.795 152 HB2 LEU 22 1HB LEU 22 9.132 -7.778 7.122 153 HB3 LEU 22 2HB LEU 22 8.347 -8.454 8.548 154 HG LEU 22 HG LEU 22 9.289 -5.887 9.261 155 HD11 LEU 22 1HD1 LEU 22 7.433 -5.356 7.071 156 HD12 LEU 22 2HD1 LEU 22 9.026 -5.895 6.542 157 HD13 LEU 22 3HD1 LEU 22 8.875 -4.476 7.579 158 HD21 LEU 22 3HD2 LEU 22 6.743 -7.349 9.023 159 HD22 LEU 22 1HD2 LEU 22 6.622 -5.589 9.016 160 HD23 LEU 22 2HD2 LEU 22 7.398 -6.414 10.368 161 H VAL 23 H VAL 23 10.035 -10.599 9.213 162 HA VAL 23 HA VAL 23 11.484 -11.494 6.815 163 HB VAL 23 HB VAL 23 12.307 -13.457 8.192 164 HG11 VAL 23 1HG1 VAL 23 13.799 -11.691 7.460 165 HG12 VAL 23 2HG1 VAL 23 13.346 -10.702 8.849 166 HG13 VAL 23 3HG1 VAL 23 14.228 -12.210 9.089 167 HG21 VAL 23 3HG2 VAL 23 11.690 -11.625 10.507 168 HG22 VAL 23 1HG2 VAL 23 10.758 -13.065 10.095 169 HG23 VAL 23 2HG2 VAL 23 12.446 -13.217 10.581 170 H CYS 24 H CYS 24 10.696 -13.334 5.827 171 HA CYS 24 HA CYS 24 8.419 -14.704 7.044 172 HB2 CYS 24 1HB CYS 24 6.970 -14.387 5.188 173 HB3 CYS 24 2HB CYS 24 7.596 -12.792 5.592 174 H SER 25 H SER 25 11.323 -15.130 6.040 175 HA SER 25 HA SER 25 11.416 -16.846 3.884 176 HB2 SER 25 1HB SER 25 13.054 -16.575 6.372 177 HB3 SER 25 2HB SER 25 13.338 -17.960 5.318 178 HG SER 25 HG SER 25 14.507 -16.616 4.210 179 H ARG 26 H ARG 26 11.636 -18.113 7.198 180 HA ARG 26 HA ARG 26 10.196 -20.504 6.304 181 HB2 ARG 26 1HB ARG 26 11.765 -20.079 8.853 182 HB3 ARG 26 2HB ARG 26 11.122 -21.605 8.260 183 HG2 ARG 26 1HG ARG 26 12.700 -21.756 6.563 184 HG3 ARG 26 2HG ARG 26 13.079 -20.034 6.632 185 HD2 ARG 26 1HD ARG 26 14.783 -20.506 7.974 186 HD3 ARG 26 2HD ARG 26 13.630 -21.065 9.186 187 HE ARG 26 HE ARG 26 15.299 -22.689 7.494 188 HH11 ARG 26 1HH1 ARG 26 12.401 -22.577 9.420 189 HH12 ARG 26 2HH1 ARG 26 12.355 -24.288 9.686 190 HH21 ARG 26 1HH2 ARG 26 15.249 -24.944 7.838 191 HH22 ARG 26 2HH2 ARG 26 13.976 -25.633 8.787 192 H LYS 27 H LYS 27 9.851 -17.710 8.255 193 HA LYS 27 HA LYS 27 8.006 -18.607 10.169 194 HB2 LYS 27 1HB LYS 27 8.120 -15.860 8.915 195 HB3 LYS 27 2HB LYS 27 7.427 -16.276 10.477 196 HG2 LYS 27 1HG LYS 27 10.321 -16.770 9.887 197 HG3 LYS 27 2HG LYS 27 9.746 -15.187 10.416 198 HD2 LYS 27 1HD LYS 27 9.007 -17.654 11.943 199 HD3 LYS 27 2HD LYS 27 10.583 -16.896 12.183 200 HE2 LYS 27 1HE LYS 27 7.961 -15.428 12.410 201 HE3 LYS 27 2HE LYS 27 8.794 -16.160 13.780 202 HZ1 LYS 27 3HZ LYS 27 10.768 -14.751 13.026 203 HZ2 LYS 27 1HZ LYS 27 9.489 -13.961 13.803 204 HZ3 LYS 27 2HZ LYS 27 9.642 -13.871 12.121 205 H THR 28 H THR 28 5.756 -17.051 9.951 206 HA THR 28 HA THR 28 4.060 -18.632 8.385 207 HB THR 28 HB THR 28 2.490 -16.518 8.687 208 HG1 THR 28 HG1 THR 28 4.367 -15.244 9.411 209 HG21 THR 28 3HG2 THR 28 1.730 -18.233 9.948 210 HG22 THR 28 1HG2 THR 28 2.468 -17.328 11.269 211 HG23 THR 28 2HG2 THR 28 3.341 -18.665 10.519 212 H ARG 29 H ARG 29 2.551 -17.723 6.684 213 HA ARG 29 HA ARG 29 4.008 -17.012 4.405 214 HB2 ARG 29 1HB ARG 29 1.108 -17.146 5.093 215 HB3 ARG 29 2HB ARG 29 1.574 -16.332 3.606 216 HG2 ARG 29 1HG ARG 29 2.773 -18.381 2.909 217 HG3 ARG 29 2HG ARG 29 2.166 -19.185 4.359 218 HD2 ARG 29 1HD ARG 29 0.400 -17.918 2.271 219 HD3 ARG 29 2HD ARG 29 0.845 -19.624 2.277 220 HE ARG 29 HE ARG 29 -1.114 -18.354 3.922 221 HH11 ARG 29 1HH1 ARG 29 1.180 -20.969 3.784 222 HH12 ARG 29 2HH1 ARG 29 0.328 -21.950 4.931 223 HH21 ARG 29 1HH2 ARG 29 -2.245 -19.636 5.432 224 HH22 ARG 29 2HH2 ARG 29 -1.621 -21.191 5.867 225 H TRP 30 H TRP 30 2.766 -15.085 6.947 226 HA TRP 30 HA TRP 30 3.028 -12.637 5.344 227 HB2 TRP 30 1HB TRP 30 1.859 -11.521 7.221 228 HB3 TRP 30 2HB TRP 30 0.914 -12.838 6.531 229 HD1 TRP 30 HD1 TRP 30 2.805 -11.852 9.703 230 HE1 TRP 30 HE1 TRP 30 2.130 -13.458 11.598 231 HE3 TRP 30 HE3 TRP 30 0.066 -15.206 6.986 232 HZ2 TRP 30 HZ2 TRP 30 0.634 -15.832 11.901 233 HZ3 TRP 30 HZ3 TRP 30 -0.953 -17.117 8.154 234 HH2 TRP 30 HH2 TRP 30 -0.673 -17.422 10.560 235 H CYS 31 H CYS 31 4.457 -11.029 5.884 236 HA CYS 31 HA CYS 31 6.854 -11.744 7.139 237 HB2 CYS 31 1HB CYS 31 5.676 -9.263 6.045 238 HB3 CYS 31 2HB CYS 31 6.952 -9.037 7.237 239 H LYS 32 H LYS 32 7.567 -11.647 9.182 240 HA LYS 32 HA LYS 32 5.929 -10.227 11.171 241 HB2 LYS 32 1HB LYS 32 6.989 -13.042 11.292 242 HB3 LYS 32 2HB LYS 32 6.592 -12.146 12.752 243 HG2 LYS 32 1HG LYS 32 4.523 -12.239 10.642 244 HG3 LYS 32 2HG LYS 32 4.858 -13.740 11.507 245 HD2 LYS 32 1HD LYS 32 4.532 -11.278 13.128 246 HD3 LYS 32 2HD LYS 32 3.084 -11.948 12.374 247 HE2 LYS 32 1HE LYS 32 3.086 -13.061 14.383 248 HE3 LYS 32 2HE LYS 32 3.975 -14.198 13.371 249 HZ1 LYS 32 3HZ LYS 32 4.825 -13.161 15.742 250 HZ2 LYS 32 1HZ LYS 32 5.682 -12.257 14.597 251 HZ3 LYS 32 2HZ LYS 32 5.795 -13.944 14.599 252 H TYR 33 H TYR 33 7.046 -9.416 12.982 253 HA TYR 33 HA TYR 33 9.694 -8.541 12.437 254 HB2 TYR 33 1HB TYR 33 9.555 -7.624 14.796 255 HB3 TYR 33 2HB TYR 33 8.305 -7.072 13.688 256 HD1 TYR 33 HD1 TYR 33 8.900 -9.776 16.199 257 HD2 TYR 33 HD2 TYR 33 6.113 -7.101 14.416 258 HE1 TYR 33 HE1 TYR 33 7.175 -10.527 17.784 259 HE2 TYR 33 HE2 TYR 33 4.380 -7.844 15.996 260 HH TYR 33 HH TYR 33 4.305 -8.884 18.290 261 H GLN 34 H GLN 34 11.616 -9.001 13.564 262 HA GLN 34 HA GLN 34 11.688 -11.712 14.677 263 HB2 GLN 34 1HB GLN 34 14.175 -11.484 14.311 264 HB3 GLN 34 2HB GLN 34 13.193 -11.469 12.853 265 HG2 GLN 34 1HG GLN 34 13.389 -9.073 12.693 266 HG3 GLN 34 2HG GLN 34 14.263 -9.013 14.223 267 HE21 GLN 34 2HE2 GLN 34 14.409 -10.038 10.882 268 HE22 GLN 34 1HE2 GLN 34 16.132 -10.131 10.785 269 H ILE 35 H ILE 35 11.925 -12.008 16.786 270 HA ILE 35 HA ILE 35 12.218 -9.830 18.587 271 HB ILE 35 HB ILE 35 12.449 -12.788 19.154 272 HG12 ILE 35 1HG1 ILE 35 10.297 -12.219 18.134 273 HG13 ILE 35 2HG1 ILE 35 10.087 -12.622 19.835 274 HG21 ILE 35 1HG2 ILE 35 13.189 -12.011 21.129 275 HG22 ILE 35 2HG2 ILE 35 12.571 -10.386 20.838 276 HG23 ILE 35 3HG2 ILE 35 11.487 -11.650 21.418 277 HD11 ILE 35 3HD1 ILE 35 9.936 -10.264 20.390 278 HD12 ILE 35 1HD1 ILE 35 10.192 -9.838 18.697 279 HD13 ILE 35 2HD1 ILE 35 8.734 -10.707 19.178 Start of MODEL 16 1 H1 GLU 1 H GLU 1 2.406 1.755 0.428 2 HA GLU 1 HA GLU 1 1.580 0.031 -0.996 3 HB2 GLU 1 1HB GLU 1 2.594 2.243 -2.076 4 HB3 GLU 1 2HB GLU 1 3.707 1.087 -2.794 5 HG2 GLU 1 1HG GLU 1 1.975 -0.040 -3.919 6 HG3 GLU 1 2HG GLU 1 0.729 0.768 -2.971 7 H CYS 2 H CYS 2 3.124 -1.450 0.605 8 HA CYS 2 HA CYS 2 4.118 -3.466 -1.155 9 HB2 CYS 2 1HB CYS 2 6.428 -3.492 -0.057 10 HB3 CYS 2 2HB CYS 2 6.133 -2.239 -1.259 11 H LEU 3 H LEU 3 4.486 -5.454 -0.101 12 HA LEU 3 HA LEU 3 2.897 -5.929 2.159 13 HB2 LEU 3 1HB LEU 3 4.119 -8.158 2.191 14 HB3 LEU 3 2HB LEU 3 3.227 -7.744 0.729 15 HG LEU 3 HG LEU 3 5.792 -6.831 0.220 16 HD11 LEU 3 1HD1 LEU 3 7.055 -7.884 1.769 17 HD12 LEU 3 2HD1 LEU 3 6.898 -9.232 0.643 18 HD13 LEU 3 3HD1 LEU 3 5.852 -9.141 2.060 19 HD21 LEU 3 3HD2 LEU 3 5.602 -9.389 -0.882 20 HD22 LEU 3 1HD2 LEU 3 5.128 -7.864 -1.630 21 HD23 LEU 3 2HD2 LEU 3 3.939 -8.816 -0.740 22 H GLU 4 H GLU 4 3.470 -4.656 3.896 23 HA GLU 4 HA GLU 4 6.193 -4.788 4.919 24 HB2 GLU 4 1HB GLU 4 3.764 -3.188 5.708 25 HB3 GLU 4 2HB GLU 4 5.236 -3.196 6.669 26 HG2 GLU 4 1HG GLU 4 6.425 -2.503 4.513 27 HG3 GLU 4 2HG GLU 4 4.813 -2.135 3.902 28 H ILE 5 H ILE 5 3.681 -4.426 7.225 29 HA ILE 5 HA ILE 5 4.531 -6.875 8.550 30 HB ILE 5 HB ILE 5 4.313 -4.719 9.805 31 HG12 ILE 5 1HG1 ILE 5 2.645 -5.942 11.566 32 HG13 ILE 5 2HG1 ILE 5 3.086 -7.304 10.542 33 HG21 ILE 5 1HG2 ILE 5 1.430 -4.984 10.149 34 HG22 ILE 5 2HG2 ILE 5 2.415 -3.544 9.900 35 HG23 ILE 5 3HG2 ILE 5 1.902 -4.511 8.518 36 HD11 ILE 5 3HD1 ILE 5 5.255 -7.286 11.219 37 HD12 ILE 5 1HD1 ILE 5 5.259 -5.552 11.541 38 HD13 ILE 5 2HD1 ILE 5 4.483 -6.659 12.675 39 H PHE 6 H PHE 6 3.236 -8.610 8.988 40 HA PHE 6 HA PHE 6 1.594 -10.142 8.614 41 HB2 PHE 6 1HB PHE 6 -0.195 -7.704 8.733 42 HB3 PHE 6 2HB PHE 6 -0.709 -9.375 8.945 43 HD1 PHE 6 HD1 PHE 6 0.638 -10.672 10.834 44 HD2 PHE 6 HD2 PHE 6 0.160 -6.449 10.615 45 HE1 PHE 6 HE1 PHE 6 1.073 -10.501 13.250 46 HE2 PHE 6 HE2 PHE 6 0.595 -6.270 13.030 47 HZ PHE 6 HZ PHE 6 1.053 -8.298 14.350 48 H LYS 7 H LYS 7 2.772 -8.524 6.309 49 HA LYS 7 HA LYS 7 0.637 -8.881 4.329 50 HB2 LYS 7 1HB LYS 7 3.330 -7.540 4.024 51 HB3 LYS 7 2HB LYS 7 2.044 -7.565 2.824 52 HG2 LYS 7 1HG LYS 7 2.226 -6.035 5.374 53 HG3 LYS 7 2HG LYS 7 1.780 -5.485 3.758 54 HD2 LYS 7 1HD LYS 7 -0.304 -6.890 3.986 55 HD3 LYS 7 2HD LYS 7 0.126 -7.107 5.684 56 HE2 LYS 7 1HE LYS 7 -1.425 -5.301 5.559 57 HE3 LYS 7 2HE LYS 7 0.162 -4.615 5.904 58 HZ1 LYS 7 3HZ LYS 7 -1.318 -3.549 4.096 59 HZ2 LYS 7 1HZ LYS 7 -0.771 -4.818 3.120 60 HZ3 LYS 7 2HZ LYS 7 0.337 -3.736 3.799 61 H ALA 8 H ALA 8 0.652 -10.532 2.947 62 HA ALA 8 HA ALA 8 2.489 -12.651 3.167 63 HB1 ALA 8 1HB ALA 8 1.377 -13.528 1.118 64 HB2 ALA 8 2HB ALA 8 0.260 -13.082 2.408 65 HB3 ALA 8 3HB ALA 8 0.473 -12.016 1.019 66 H CYS 9 H CYS 9 4.211 -13.292 1.928 67 HA CYS 9 HA CYS 9 5.239 -11.289 0.027 68 HB2 CYS 9 1HB CYS 9 7.494 -12.185 0.576 69 HB3 CYS 9 2HB CYS 9 6.677 -11.471 1.963 70 H ASN 10 H ASN 10 5.998 -11.940 -1.954 71 HA ASN 10 HA ASN 10 4.918 -14.344 -3.022 72 HB2 ASN 10 1HB ASN 10 6.097 -11.939 -4.033 73 HB3 ASN 10 2HB ASN 10 6.896 -13.317 -4.783 74 HD21 ASN 10 2HD2 ASN 10 6.045 -13.219 -6.778 75 HD22 ASN 10 1HD2 ASN 10 4.361 -13.373 -7.131 76 HA PRO 11 HA PRO 11 8.165 -17.220 -2.322 77 HB2 PRO 11 1HB PRO 11 7.859 -18.835 -4.483 78 HB3 PRO 11 2HB PRO 11 6.732 -18.828 -3.121 79 HG2 PRO 11 1HG PRO 11 6.495 -17.481 -5.784 80 HG3 PRO 11 2HG PRO 11 5.264 -18.367 -4.865 81 HD2 PRO 11 1HD PRO 11 5.387 -15.663 -4.902 82 HD3 PRO 11 2HD PRO 11 4.819 -16.573 -3.488 83 H SER 12 H SER 12 8.041 -15.358 -5.248 84 HA SER 12 HA SER 12 10.716 -16.169 -6.066 85 HB2 SER 12 1HB SER 12 8.420 -15.042 -7.381 86 HB3 SER 12 2HB SER 12 9.822 -14.007 -7.655 87 HG SER 12 HG SER 12 9.635 -15.689 -9.215 88 H ASN 13 H ASN 13 9.051 -13.455 -4.610 89 HA ASN 13 HA ASN 13 11.473 -11.829 -4.653 90 HB2 ASN 13 1HB ASN 13 8.668 -11.231 -3.691 91 HB3 ASN 13 2HB ASN 13 10.004 -10.086 -3.625 92 HD21 ASN 13 2HD2 ASN 13 11.240 -10.337 -5.966 93 HD22 ASN 13 1HD2 ASN 13 10.180 -9.959 -7.277 94 H ASP 14 H ASP 14 9.059 -12.558 -2.132 95 HA ASP 14 HA ASP 14 9.265 -13.025 0.085 96 HB2 ASP 14 1HB ASP 14 11.548 -14.339 -1.175 97 HB3 ASP 14 2HB ASP 14 11.855 -13.912 0.506 98 H GLN 15 H GLN 15 11.482 -10.950 -1.484 99 HA GLN 15 HA GLN 15 12.822 -9.936 0.812 100 HB2 GLN 15 1HB GLN 15 12.409 -8.744 -1.934 101 HB3 GLN 15 2HB GLN 15 13.460 -8.057 -0.703 102 HG2 GLN 15 1HG GLN 15 14.510 -10.473 -0.742 103 HG3 GLN 15 2HG GLN 15 13.814 -10.492 -2.362 104 HE21 GLN 15 2HE2 GLN 15 16.481 -9.699 -0.569 105 HE22 GLN 15 1HE2 GLN 15 17.259 -8.633 -1.684 106 H CYS 16 H CYS 16 11.398 -9.328 2.396 107 HA CYS 16 HA CYS 16 9.034 -7.875 2.027 108 HB2 CYS 16 1HB CYS 16 10.129 -9.103 4.140 109 HB3 CYS 16 2HB CYS 16 10.576 -7.446 4.533 110 H CYS 17 H CYS 17 8.536 -5.679 2.356 111 HA CYS 17 HA CYS 17 10.117 -3.822 1.088 112 HB2 CYS 17 1HB CYS 17 7.621 -3.761 2.058 113 HB3 CYS 17 2HB CYS 17 8.419 -2.817 3.312 114 H LYS 18 H LYS 18 11.482 -2.147 1.763 115 HA LYS 18 HA LYS 18 13.161 -2.815 3.995 116 HB2 LYS 18 1HB LYS 18 13.229 -0.395 2.182 117 HB3 LYS 18 2HB LYS 18 14.502 -0.889 3.291 118 HG2 LYS 18 1HG LYS 18 13.567 -2.755 1.153 119 HG3 LYS 18 2HG LYS 18 14.703 -1.458 0.776 120 HD2 LYS 18 1HD LYS 18 16.237 -2.297 2.482 121 HD3 LYS 18 2HD LYS 18 15.095 -3.580 2.887 122 HE2 LYS 18 1HE LYS 18 15.294 -4.453 0.597 123 HE3 LYS 18 2HE LYS 18 16.466 -3.189 0.228 124 HZ1 LYS 18 3HZ LYS 18 17.997 -4.625 0.911 125 HZ2 LYS 18 1HZ LYS 18 16.850 -5.677 1.575 126 HZ3 LYS 18 2HZ LYS 18 17.435 -4.379 2.487 127 H SER 19 H SER 19 10.287 -1.186 3.753 128 HA SER 19 HA SER 19 10.634 1.067 5.380 129 HB2 SER 19 1HB SER 19 8.122 0.612 5.917 130 HB3 SER 19 2HB SER 19 8.587 1.007 4.262 131 HG SER 19 HG SER 19 8.453 -1.670 5.140 132 H SER 20 H SER 20 10.661 -2.268 6.143 133 HA SER 20 HA SER 20 11.208 -1.701 8.910 134 HB2 SER 20 1HB SER 20 9.326 -3.609 9.379 135 HB3 SER 20 2HB SER 20 9.035 -1.877 9.542 136 HG SER 20 HG SER 20 7.443 -2.613 8.229 137 H LYS 21 H LYS 21 12.250 -3.392 9.963 138 HA LYS 21 HA LYS 21 13.486 -5.321 8.226 139 HB2 LYS 21 1HB LYS 21 13.748 -4.679 11.156 140 HB3 LYS 21 2HB LYS 21 14.572 -6.056 10.436 141 HG2 LYS 21 1HG LYS 21 15.678 -4.510 8.851 142 HG3 LYS 21 2HG LYS 21 14.924 -3.158 9.701 143 HD2 LYS 21 1HD LYS 21 16.960 -3.225 10.755 144 HD3 LYS 21 2HD LYS 21 16.027 -4.296 11.803 145 HE2 LYS 21 1HE LYS 21 16.872 -6.184 10.278 146 HE3 LYS 21 2HE LYS 21 18.054 -5.007 9.707 147 HZ1 LYS 21 3HZ LYS 21 18.687 -6.535 11.643 148 HZ2 LYS 21 1HZ LYS 21 17.717 -5.524 12.592 149 HZ3 LYS 21 2HZ LYS 21 19.055 -4.889 11.776 150 H LEU 22 H LEU 22 11.323 -6.310 7.714 151 HA LEU 22 HA LEU 22 10.492 -8.243 9.767 152 HB2 LEU 22 1HB LEU 22 9.068 -7.300 7.284 153 HB3 LEU 22 2HB LEU 22 8.450 -8.510 8.406 154 HG LEU 22 HG LEU 22 8.984 -5.621 9.095 155 HD11 LEU 22 1HD1 LEU 22 7.145 -5.557 7.662 156 HD12 LEU 22 2HD1 LEU 22 6.428 -5.632 9.271 157 HD13 LEU 22 3HD1 LEU 22 6.499 -7.082 8.270 158 HD21 LEU 22 3HD2 LEU 22 8.744 -6.220 11.217 159 HD22 LEU 22 1HD2 LEU 22 8.671 -7.911 10.720 160 HD23 LEU 22 2HD2 LEU 22 7.188 -6.967 10.853 161 H VAL 23 H VAL 23 10.219 -10.437 9.229 162 HA VAL 23 HA VAL 23 11.529 -11.286 6.730 163 HB VAL 23 HB VAL 23 12.455 -13.233 7.952 164 HG11 VAL 23 1HG1 VAL 23 14.184 -11.808 7.766 165 HG12 VAL 23 2HG1 VAL 23 13.251 -10.437 8.373 166 HG13 VAL 23 3HG1 VAL 23 13.960 -11.593 9.502 167 HG21 VAL 23 3HG2 VAL 23 11.607 -11.759 10.443 168 HG22 VAL 23 1HG2 VAL 23 10.808 -13.196 9.804 169 HG23 VAL 23 2HG2 VAL 23 12.479 -13.290 10.361 170 H CYS 24 H CYS 24 10.763 -13.189 5.777 171 HA CYS 24 HA CYS 24 8.449 -14.497 6.981 172 HB2 CYS 24 1HB CYS 24 7.012 -14.169 5.112 173 HB3 CYS 24 2HB CYS 24 7.650 -12.582 5.529 174 H SER 25 H SER 25 11.335 -15.012 6.044 175 HA SER 25 HA SER 25 11.281 -16.804 3.884 176 HB2 SER 25 1HB SER 25 13.173 -16.198 6.097 177 HB3 SER 25 2HB SER 25 13.384 -17.736 5.262 178 HG SER 25 HG SER 25 13.134 -15.278 3.883 179 H ARG 26 H ARG 26 11.950 -17.823 7.221 180 HA ARG 26 HA ARG 26 10.606 -20.355 6.667 181 HB2 ARG 26 1HB ARG 26 12.090 -19.656 9.191 182 HB3 ARG 26 2HB ARG 26 11.769 -21.249 8.519 183 HG2 ARG 26 1HG ARG 26 13.335 -20.871 6.736 184 HG3 ARG 26 2HG ARG 26 13.575 -19.201 7.253 185 HD2 ARG 26 1HD ARG 26 14.734 -19.836 9.175 186 HD3 ARG 26 2HD ARG 26 14.112 -21.485 9.116 187 HE ARG 26 HE ARG 26 15.799 -22.042 7.660 188 HH11 ARG 26 1HH1 ARG 26 15.625 -18.580 7.975 189 HH12 ARG 26 2HH1 ARG 26 17.105 -18.297 7.121 190 HH21 ARG 26 1HH2 ARG 26 17.750 -21.683 6.534 191 HH22 ARG 26 2HH2 ARG 26 18.313 -20.063 6.301 192 H LYS 27 H LYS 27 10.101 -17.406 8.332 193 HA LYS 27 HA LYS 27 8.348 -18.305 10.365 194 HB2 LYS 27 1HB LYS 27 9.516 -15.914 9.738 195 HB3 LYS 27 2HB LYS 27 7.843 -15.616 9.282 196 HG2 LYS 27 1HG LYS 27 7.083 -15.762 11.429 197 HG3 LYS 27 2HG LYS 27 8.384 -16.844 11.933 198 HD2 LYS 27 1HD LYS 27 8.965 -14.008 11.158 199 HD3 LYS 27 2HD LYS 27 8.387 -14.398 12.780 200 HE2 LYS 27 1HE LYS 27 10.830 -15.576 11.458 201 HE3 LYS 27 2HE LYS 27 10.842 -14.287 12.661 202 HZ1 LYS 27 3HZ LYS 27 10.298 -17.144 13.002 203 HZ2 LYS 27 1HZ LYS 27 9.493 -16.057 14.019 204 HZ3 LYS 27 2HZ LYS 27 11.183 -16.089 13.985 205 H THR 28 H THR 28 6.066 -16.771 10.101 206 HA THR 28 HA THR 28 4.376 -18.454 8.639 207 HB THR 28 HB THR 28 2.765 -16.376 8.850 208 HG1 THR 28 HG1 THR 28 3.672 -15.285 10.908 209 HG21 THR 28 3HG2 THR 28 2.093 -18.017 10.253 210 HG22 THR 28 1HG2 THR 28 2.825 -16.989 11.483 211 HG23 THR 28 2HG2 THR 28 3.730 -18.349 10.818 212 H ARG 29 H ARG 29 2.868 -17.709 6.887 213 HA ARG 29 HA ARG 29 4.301 -17.059 4.575 214 HB2 ARG 29 1HB ARG 29 1.407 -17.278 5.266 215 HB3 ARG 29 2HB ARG 29 1.844 -16.525 3.738 216 HG2 ARG 29 1HG ARG 29 3.121 -18.553 3.144 217 HG3 ARG 29 2HG ARG 29 2.564 -19.304 4.641 218 HD2 ARG 29 1HD ARG 29 1.081 -20.095 3.019 219 HD3 ARG 29 2HD ARG 29 0.203 -18.782 3.803 220 HE ARG 29 HE ARG 29 0.258 -17.609 1.833 221 HH11 ARG 29 1HH1 ARG 29 2.504 -20.264 1.660 222 HH12 ARG 29 2HH1 ARG 29 2.820 -20.056 -0.031 223 HH21 ARG 29 1HH2 ARG 29 0.667 -17.326 -0.393 224 HH22 ARG 29 2HH2 ARG 29 1.776 -18.384 -1.197 225 H TRP 30 H TRP 30 2.970 -15.053 7.009 226 HA TRP 30 HA TRP 30 3.132 -12.685 5.280 227 HB2 TRP 30 1HB TRP 30 1.900 -11.521 7.069 228 HB3 TRP 30 2HB TRP 30 1.027 -12.937 6.491 229 HD1 TRP 30 HD1 TRP 30 2.912 -11.626 9.554 230 HE1 TRP 30 HE1 TRP 30 2.328 -13.109 11.575 231 HE3 TRP 30 HE3 TRP 30 0.272 -15.280 7.143 232 HZ2 TRP 30 HZ2 TRP 30 0.933 -15.510 12.080 233 HZ3 TRP 30 HZ3 TRP 30 -0.653 -17.135 8.468 234 HH2 TRP 30 HH2 TRP 30 -0.328 -17.247 10.885 235 H CYS 31 H CYS 31 4.442 -10.948 5.787 236 HA CYS 31 HA CYS 31 6.895 -11.489 7.022 237 HB2 CYS 31 1HB CYS 31 5.534 -9.049 5.992 238 HB3 CYS 31 2HB CYS 31 6.922 -8.819 7.052 239 H LYS 32 H LYS 32 7.592 -11.377 9.061 240 HA LYS 32 HA LYS 32 6.029 -9.874 11.033 241 HB2 LYS 32 1HB LYS 32 6.574 -12.802 11.025 242 HB3 LYS 32 2HB LYS 32 6.650 -11.963 12.569 243 HG2 LYS 32 1HG LYS 32 4.280 -11.341 10.962 244 HG3 LYS 32 2HG LYS 32 4.402 -13.022 11.486 245 HD2 LYS 32 1HD LYS 32 4.734 -10.691 13.362 246 HD3 LYS 32 2HD LYS 32 3.176 -11.459 13.050 247 HE2 LYS 32 1HE LYS 32 4.143 -13.617 13.778 248 HE3 LYS 32 2HE LYS 32 5.644 -12.782 14.174 249 HZ1 LYS 32 3HZ LYS 32 4.212 -11.342 15.666 250 HZ2 LYS 32 1HZ LYS 32 4.478 -12.933 16.176 251 HZ3 LYS 32 2HZ LYS 32 3.001 -12.507 15.471 252 H TYR 33 H TYR 33 7.203 -9.189 12.861 253 HA TYR 33 HA TYR 33 9.941 -8.619 12.354 254 HB2 TYR 33 1HB TYR 33 9.865 -7.701 14.725 255 HB3 TYR 33 2HB TYR 33 8.726 -6.994 13.584 256 HD1 TYR 33 HD1 TYR 33 8.899 -9.768 16.086 257 HD2 TYR 33 HD2 TYR 33 6.534 -6.739 14.259 258 HE1 TYR 33 HE1 TYR 33 7.047 -10.299 17.616 259 HE2 TYR 33 HE2 TYR 33 4.676 -7.261 15.785 260 HH TYR 33 HH TYR 33 3.877 -8.978 17.191 261 H GLN 34 H GLN 34 11.781 -9.289 13.512 262 HA GLN 34 HA GLN 34 11.718 -12.056 14.291 263 HB2 GLN 34 1HB GLN 34 13.852 -9.997 13.910 264 HB3 GLN 34 2HB GLN 34 14.226 -11.455 14.820 265 HG2 GLN 34 1HG GLN 34 12.913 -11.749 12.174 266 HG3 GLN 34 2HG GLN 34 14.616 -11.298 12.222 267 HE21 GLN 34 2HE2 GLN 34 15.790 -13.027 11.820 268 HE22 GLN 34 1HE2 GLN 34 15.558 -14.596 12.504 269 H ILE 35 H ILE 35 12.028 -12.927 16.301 270 HA ILE 35 HA ILE 35 12.124 -11.038 18.561 271 HB ILE 35 HB ILE 35 10.672 -12.558 19.836 272 HG12 ILE 35 1HG1 ILE 35 10.288 -14.008 17.209 273 HG13 ILE 35 2HG1 ILE 35 11.240 -14.618 18.558 274 HG21 ILE 35 1HG2 ILE 35 9.077 -12.046 17.397 275 HG22 ILE 35 2HG2 ILE 35 8.761 -11.603 19.074 276 HG23 ILE 35 3HG2 ILE 35 9.908 -10.667 18.116 277 HD11 ILE 35 3HD1 ILE 35 9.434 -15.458 19.510 278 HD12 ILE 35 1HD1 ILE 35 8.619 -13.895 19.458 279 HD13 ILE 35 2HD1 ILE 35 8.515 -14.991 18.080 Start of MODEL 17 1 H1 GLU 1 H GLU 1 4.125 1.327 -0.716 2 HA GLU 1 HA GLU 1 1.610 -0.187 -0.489 3 HB2 GLU 1 1HB GLU 1 1.832 1.628 -2.372 4 HB3 GLU 1 2HB GLU 1 2.809 0.402 -3.167 5 HG2 GLU 1 1HG GLU 1 1.032 -1.026 -3.456 6 HG3 GLU 1 2HG GLU 1 0.115 -0.325 -2.124 7 H CYS 2 H CYS 2 3.458 -1.436 0.718 8 HA CYS 2 HA CYS 2 4.270 -3.570 -1.089 9 HB2 CYS 2 1HB CYS 2 6.569 -3.587 0.028 10 HB3 CYS 2 2HB CYS 2 6.274 -2.321 -1.160 11 H LEU 3 H LEU 3 4.591 -5.567 -0.066 12 HA LEU 3 HA LEU 3 3.017 -6.041 2.212 13 HB2 LEU 3 1HB LEU 3 4.168 -8.304 2.178 14 HB3 LEU 3 2HB LEU 3 3.271 -7.834 0.736 15 HG LEU 3 HG LEU 3 5.853 -6.991 0.206 16 HD11 LEU 3 1HD1 LEU 3 5.879 -9.307 2.028 17 HD12 LEU 3 2HD1 LEU 3 7.123 -8.102 1.700 18 HD13 LEU 3 3HD1 LEU 3 6.880 -9.444 0.582 19 HD21 LEU 3 3HD2 LEU 3 5.580 -9.524 -0.933 20 HD22 LEU 3 1HD2 LEU 3 5.130 -7.976 -1.649 21 HD23 LEU 3 2HD2 LEU 3 3.934 -8.914 -0.755 22 H GLU 4 H GLU 4 3.670 -4.797 3.947 23 HA GLU 4 HA GLU 4 6.403 -5.047 4.921 24 HB2 GLU 4 1HB GLU 4 4.055 -3.356 5.764 25 HB3 GLU 4 2HB GLU 4 5.540 -3.435 6.702 26 HG2 GLU 4 1HG GLU 4 6.810 -2.545 4.870 27 HG3 GLU 4 2HG GLU 4 5.398 -2.601 3.815 28 H ILE 5 H ILE 5 3.948 -4.605 7.273 29 HA ILE 5 HA ILE 5 4.720 -7.099 8.561 30 HB ILE 5 HB ILE 5 4.620 -4.959 9.847 31 HG12 ILE 5 1HG1 ILE 5 2.902 -6.117 11.609 32 HG13 ILE 5 2HG1 ILE 5 3.273 -7.487 10.568 33 HG21 ILE 5 1HG2 ILE 5 1.732 -5.072 10.226 34 HG22 ILE 5 2HG2 ILE 5 2.789 -3.685 9.968 35 HG23 ILE 5 3HG2 ILE 5 2.205 -4.616 8.589 36 HD11 ILE 5 3HD1 ILE 5 5.430 -7.596 11.250 37 HD12 ILE 5 1HD1 ILE 5 5.544 -5.861 11.547 38 HD13 ILE 5 2HD1 ILE 5 4.713 -6.902 12.703 39 H PHE 6 H PHE 6 3.369 -8.790 8.991 40 HA PHE 6 HA PHE 6 1.649 -10.242 8.660 41 HB2 PHE 6 1HB PHE 6 -0.023 -7.723 8.770 42 HB3 PHE 6 2HB PHE 6 -0.619 -9.366 8.983 43 HD1 PHE 6 HD1 PHE 6 0.660 -10.726 10.874 44 HD2 PHE 6 HD2 PHE 6 0.397 -6.484 10.650 45 HE1 PHE 6 HE1 PHE 6 1.103 -10.575 13.289 46 HE2 PHE 6 HE2 PHE 6 0.841 -6.325 13.064 47 HZ PHE 6 HZ PHE 6 1.196 -8.372 14.387 48 H LYS 7 H LYS 7 2.869 -8.638 6.339 49 HA LYS 7 HA LYS 7 0.720 -8.967 4.370 50 HB2 LYS 7 1HB LYS 7 3.430 -7.663 4.054 51 HB3 LYS 7 2HB LYS 7 2.143 -7.676 2.856 52 HG2 LYS 7 1HG LYS 7 2.286 -6.189 5.447 53 HG3 LYS 7 2HG LYS 7 1.985 -5.572 3.821 54 HD2 LYS 7 1HD LYS 7 0.111 -7.288 5.451 55 HD3 LYS 7 2HD LYS 7 -0.060 -5.557 5.148 56 HE2 LYS 7 1HE LYS 7 -0.271 -5.995 2.754 57 HE3 LYS 7 2HE LYS 7 -0.076 -7.723 3.046 58 HZ1 LYS 7 3HZ LYS 7 -2.172 -6.513 4.604 59 HZ2 LYS 7 1HZ LYS 7 -2.194 -7.925 3.672 60 HZ3 LYS 7 2HZ LYS 7 -2.438 -6.422 2.935 61 H ALA 8 H ALA 8 0.723 -10.587 2.942 62 HA ALA 8 HA ALA 8 2.516 -12.748 3.172 63 HB1 ALA 8 1HB ALA 8 1.401 -13.568 1.080 64 HB2 ALA 8 2HB ALA 8 0.304 -13.173 2.404 65 HB3 ALA 8 3HB ALA 8 0.493 -12.056 1.052 66 H CYS 9 H CYS 9 4.253 -13.391 1.969 67 HA CYS 9 HA CYS 9 5.313 -11.407 0.067 68 HB2 CYS 9 1HB CYS 9 7.553 -12.337 0.629 69 HB3 CYS 9 2HB CYS 9 6.737 -11.610 2.010 70 H ASN 10 H ASN 10 5.540 -12.000 -1.987 71 HA ASN 10 HA ASN 10 4.748 -14.584 -2.870 72 HB2 ASN 10 1HB ASN 10 5.583 -13.702 -5.124 73 HB3 ASN 10 2HB ASN 10 4.277 -12.807 -4.352 74 HD21 ASN 10 2HD2 ASN 10 7.212 -12.555 -5.852 75 HD22 ASN 10 1HD2 ASN 10 7.658 -10.970 -5.328 76 HA PRO 11 HA PRO 11 8.543 -16.797 -2.807 77 HB2 PRO 11 1HB PRO 11 8.157 -18.487 -4.896 78 HB3 PRO 11 2HB PRO 11 7.312 -18.658 -3.353 79 HG2 PRO 11 1HG PRO 11 6.353 -17.436 -5.912 80 HG3 PRO 11 2HG PRO 11 5.495 -18.514 -4.796 81 HD2 PRO 11 1HD PRO 11 5.106 -15.834 -4.821 82 HD3 PRO 11 2HD PRO 11 4.981 -16.803 -3.339 83 H SER 12 H SER 12 7.645 -14.804 -5.417 84 HA SER 12 HA SER 12 9.956 -15.310 -7.058 85 HB2 SER 12 1HB SER 12 7.543 -14.289 -7.640 86 HB3 SER 12 2HB SER 12 8.421 -12.783 -7.372 87 HG SER 12 HG SER 12 8.685 -13.288 -9.502 88 H ASN 13 H ASN 13 8.894 -12.702 -4.892 89 HA ASN 13 HA ASN 13 11.595 -11.561 -4.999 90 HB2 ASN 13 1HB ASN 13 8.987 -10.409 -3.987 91 HB3 ASN 13 2HB ASN 13 10.541 -9.587 -3.878 92 HD21 ASN 13 2HD2 ASN 13 11.681 -10.081 -6.267 93 HD22 ASN 13 1HD2 ASN 13 10.741 -9.389 -7.541 94 H ASP 14 H ASP 14 9.056 -12.232 -2.584 95 HA ASP 14 HA ASP 14 9.161 -12.899 -0.412 96 HB2 ASP 14 1HB ASP 14 11.929 -13.842 -1.194 97 HB3 ASP 14 2HB ASP 14 11.079 -14.290 0.283 98 H GLN 15 H GLN 15 11.505 -10.775 -1.709 99 HA GLN 15 HA GLN 15 12.789 -10.016 0.712 100 HB2 GLN 15 1HB GLN 15 12.548 -8.708 -1.991 101 HB3 GLN 15 2HB GLN 15 13.413 -7.950 -0.661 102 HG2 GLN 15 1HG GLN 15 14.917 -9.864 -0.538 103 HG3 GLN 15 2HG GLN 15 14.046 -10.636 -1.861 104 HE21 GLN 15 2HE2 GLN 15 16.850 -9.824 -1.656 105 HE22 GLN 15 1HE2 GLN 15 17.132 -8.758 -2.985 106 H CYS 16 H CYS 16 11.441 -9.412 2.330 107 HA CYS 16 HA CYS 16 9.079 -7.935 2.058 108 HB2 CYS 16 1HB CYS 16 10.253 -9.242 4.108 109 HB3 CYS 16 2HB CYS 16 10.621 -7.581 4.564 110 H CYS 17 H CYS 17 8.596 -5.753 2.482 111 HA CYS 17 HA CYS 17 10.178 -3.853 1.275 112 HB2 CYS 17 1HB CYS 17 7.686 -3.839 2.313 113 HB3 CYS 17 2HB CYS 17 8.523 -2.887 3.535 114 H LYS 18 H LYS 18 11.522 -2.180 2.029 115 HA LYS 18 HA LYS 18 13.219 -2.952 4.221 116 HB2 LYS 18 1HB LYS 18 13.263 -0.842 2.115 117 HB3 LYS 18 2HB LYS 18 14.233 -0.586 3.559 118 HG2 LYS 18 1HG LYS 18 15.678 -1.590 2.020 119 HG3 LYS 18 2HG LYS 18 15.216 -2.887 3.123 120 HD2 LYS 18 1HD LYS 18 13.478 -3.580 1.482 121 HD3 LYS 18 2HD LYS 18 14.105 -2.363 0.367 122 HE2 LYS 18 1HE LYS 18 15.632 -4.709 1.494 123 HE3 LYS 18 2HE LYS 18 15.007 -4.567 -0.149 124 HZ1 LYS 18 3HZ LYS 18 17.058 -3.799 -0.569 125 HZ2 LYS 18 1HZ LYS 18 17.364 -3.379 1.041 126 HZ3 LYS 18 2HZ LYS 18 16.469 -2.340 0.052 127 H SER 19 H SER 19 10.329 -1.404 4.118 128 HA SER 19 HA SER 19 10.649 0.842 5.759 129 HB2 SER 19 1HB SER 19 8.574 0.516 4.588 130 HB3 SER 19 2HB SER 19 8.295 -1.024 5.400 131 HG SER 19 HG SER 19 8.102 1.590 6.421 132 H SER 20 H SER 20 10.779 -2.515 6.484 133 HA SER 20 HA SER 20 11.503 -1.973 9.209 134 HB2 SER 20 1HB SER 20 8.839 -2.223 8.903 135 HB3 SER 20 2HB SER 20 9.270 -3.924 9.072 136 HG SER 20 HG SER 20 10.187 -1.948 10.875 137 H LYS 21 H LYS 21 12.504 -3.741 10.231 138 HA LYS 21 HA LYS 21 13.697 -5.614 8.418 139 HB2 LYS 21 1HB LYS 21 14.684 -4.470 10.566 140 HB3 LYS 21 2HB LYS 21 13.953 -5.840 11.392 141 HG2 LYS 21 1HG LYS 21 15.339 -7.378 10.331 142 HG3 LYS 21 2HG LYS 21 15.771 -6.245 9.048 143 HD2 LYS 21 1HD LYS 21 16.906 -4.853 10.815 144 HD3 LYS 21 2HD LYS 21 16.653 -6.198 11.929 145 HE2 LYS 21 1HE LYS 21 18.030 -6.569 9.287 146 HE3 LYS 21 2HE LYS 21 18.909 -6.046 10.723 147 HZ1 LYS 21 3HZ LYS 21 18.234 -8.641 9.995 148 HZ2 LYS 21 1HZ LYS 21 17.310 -8.273 11.364 149 HZ3 LYS 21 2HZ LYS 21 18.994 -8.131 11.418 150 H LEU 22 H LEU 22 11.411 -6.435 7.898 151 HA LEU 22 HA LEU 22 10.516 -8.459 9.817 152 HB2 LEU 22 1HB LEU 22 9.219 -7.491 7.274 153 HB3 LEU 22 2HB LEU 22 8.518 -8.628 8.423 154 HG LEU 22 HG LEU 22 9.273 -5.904 9.373 155 HD11 LEU 22 1HD1 LEU 22 7.828 -5.995 7.130 156 HD12 LEU 22 2HD1 LEU 22 7.549 -4.807 8.403 157 HD13 LEU 22 3HD1 LEU 22 6.538 -6.248 8.306 158 HD21 LEU 22 3HD2 LEU 22 8.505 -7.609 10.952 159 HD22 LEU 22 1HD2 LEU 22 7.011 -7.788 10.031 160 HD23 LEU 22 2HD2 LEU 22 7.367 -6.265 10.846 161 H VAL 23 H VAL 23 10.217 -10.632 9.212 162 HA VAL 23 HA VAL 23 11.533 -11.462 6.715 163 HB VAL 23 HB VAL 23 12.440 -13.449 8.008 164 HG11 VAL 23 1HG1 VAL 23 14.012 -11.878 7.273 165 HG12 VAL 23 2HG1 VAL 23 13.443 -10.647 8.402 166 HG13 VAL 23 3HG1 VAL 23 14.337 -12.046 8.998 167 HG21 VAL 23 3HG2 VAL 23 12.557 -13.430 10.331 168 HG22 VAL 23 1HG2 VAL 23 12.194 -11.707 10.432 169 HG23 VAL 23 2HG2 VAL 23 10.921 -12.854 10.012 170 H CYS 24 H CYS 24 10.761 -13.360 5.778 171 HA CYS 24 HA CYS 24 8.497 -14.692 7.066 172 HB2 CYS 24 1HB CYS 24 7.056 -14.460 5.176 173 HB3 CYS 24 2HB CYS 24 7.647 -12.849 5.569 174 H SER 25 H SER 25 11.377 -15.226 6.172 175 HA SER 25 HA SER 25 11.433 -17.025 4.048 176 HB2 SER 25 1HB SER 25 13.523 -16.295 4.873 177 HB3 SER 25 2HB SER 25 13.129 -16.766 6.526 178 HG SER 25 HG SER 25 14.203 -18.244 4.503 179 H ARG 26 H ARG 26 11.773 -18.100 7.418 180 HA ARG 26 HA ARG 26 10.370 -20.567 6.710 181 HB2 ARG 26 1HB ARG 26 11.756 -20.014 9.324 182 HB3 ARG 26 2HB ARG 26 11.393 -21.569 8.588 183 HG2 ARG 26 1HG ARG 26 13.527 -21.550 7.946 184 HG3 ARG 26 2HG ARG 26 12.996 -20.411 6.707 185 HD2 ARG 26 1HD ARG 26 13.387 -18.642 8.594 186 HD3 ARG 26 2HD ARG 26 14.418 -19.897 9.280 187 HE ARG 26 HE ARG 26 14.954 -18.290 6.960 188 HH11 ARG 26 1HH1 ARG 26 15.628 -21.303 8.569 189 HH12 ARG 26 2HH1 ARG 26 17.158 -21.527 7.789 190 HH21 ARG 26 1HH2 ARG 26 16.967 -18.574 5.926 191 HH22 ARG 26 2HH2 ARG 26 17.919 -19.974 6.286 192 H LYS 27 H LYS 27 9.935 -17.646 8.448 193 HA LYS 27 HA LYS 27 8.077 -18.464 10.393 194 HB2 LYS 27 1HB LYS 27 9.180 -16.015 9.456 195 HB3 LYS 27 2HB LYS 27 7.430 -15.838 9.476 196 HG2 LYS 27 1HG LYS 27 8.038 -15.133 11.587 197 HG3 LYS 27 2HG LYS 27 7.592 -16.819 11.860 198 HD2 LYS 27 1HD LYS 27 9.625 -16.451 13.030 199 HD3 LYS 27 2HD LYS 27 10.032 -17.390 11.592 200 HE2 LYS 27 1HE LYS 27 11.560 -15.838 11.133 201 HE3 LYS 27 2HE LYS 27 10.227 -14.742 10.775 202 HZ1 LYS 27 3HZ LYS 27 10.806 -13.511 12.502 203 HZ2 LYS 27 1HZ LYS 27 12.111 -14.541 12.820 204 HZ3 LYS 27 2HZ LYS 27 10.613 -14.822 13.553 205 H THR 28 H THR 28 5.805 -16.989 10.078 206 HA THR 28 HA THR 28 4.170 -18.664 8.545 207 HB THR 28 HB THR 28 2.559 -16.555 8.747 208 HG1 THR 28 HG1 THR 28 4.294 -16.074 10.930 209 HG21 THR 28 3HG2 THR 28 1.774 -18.246 10.022 210 HG22 THR 28 1HG2 THR 28 2.489 -17.327 11.346 211 HG23 THR 28 2HG2 THR 28 3.375 -18.671 10.626 212 H ARG 29 H ARG 29 2.645 -17.813 6.808 213 HA ARG 29 HA ARG 29 4.111 -17.179 4.512 214 HB2 ARG 29 1HB ARG 29 1.206 -17.290 5.191 215 HB3 ARG 29 2HB ARG 29 1.681 -16.533 3.676 216 HG2 ARG 29 1HG ARG 29 2.875 -18.604 3.057 217 HG3 ARG 29 2HG ARG 29 2.281 -19.353 4.540 218 HD2 ARG 29 1HD ARG 29 0.100 -19.420 3.791 219 HD3 ARG 29 2HD ARG 29 0.343 -18.096 2.651 220 HE ARG 29 HE ARG 29 0.931 -19.635 1.074 221 HH11 ARG 29 1HH1 ARG 29 1.257 -21.085 4.222 222 HH12 ARG 29 2HH1 ARG 29 1.621 -22.662 3.602 223 HH21 ARG 29 1HH2 ARG 29 1.408 -21.705 0.245 224 HH22 ARG 29 2HH2 ARG 29 1.707 -23.013 1.340 225 H TRP 30 H TRP 30 2.855 -15.166 6.980 226 HA TRP 30 HA TRP 30 3.120 -12.775 5.294 227 HB2 TRP 30 1HB TRP 30 1.951 -11.599 7.142 228 HB3 TRP 30 2HB TRP 30 1.003 -12.922 6.467 229 HD1 TRP 30 HD1 TRP 30 2.849 -11.875 9.643 230 HE1 TRP 30 HE1 TRP 30 2.148 -13.442 11.561 231 HE3 TRP 30 HE3 TRP 30 0.156 -15.291 6.957 232 HZ2 TRP 30 HZ2 TRP 30 0.652 -15.813 11.891 233 HZ3 TRP 30 HZ3 TRP 30 -0.877 -17.179 8.149 234 HH2 TRP 30 HH2 TRP 30 -0.633 -17.433 10.565 235 H CYS 31 H CYS 31 4.505 -11.110 5.830 236 HA CYS 31 HA CYS 31 6.922 -11.774 7.075 237 HB2 CYS 31 1HB CYS 31 5.690 -9.311 5.989 238 HB3 CYS 31 2HB CYS 31 6.987 -9.072 7.155 239 H LYS 32 H LYS 32 7.631 -11.677 9.117 240 HA LYS 32 HA LYS 32 5.999 -10.250 11.105 241 HB2 LYS 32 1HB LYS 32 7.153 -13.032 11.356 242 HB3 LYS 32 2HB LYS 32 6.491 -12.117 12.705 243 HG2 LYS 32 1HG LYS 32 4.369 -11.961 11.214 244 HG3 LYS 32 2HG LYS 32 5.084 -13.340 10.376 245 HD2 LYS 32 1HD LYS 32 3.816 -14.414 11.962 246 HD3 LYS 32 2HD LYS 32 5.356 -14.278 12.813 247 HE2 LYS 32 1HE LYS 32 3.349 -12.089 13.082 248 HE3 LYS 32 2HE LYS 32 3.101 -13.590 13.974 249 HZ1 LYS 32 3HZ LYS 32 5.051 -11.496 14.391 250 HZ2 LYS 32 1HZ LYS 32 5.673 -13.065 14.501 251 HZ3 LYS 32 2HZ LYS 32 4.387 -12.594 15.493 252 H TYR 33 H TYR 33 7.122 -9.440 12.912 253 HA TYR 33 HA TYR 33 9.775 -8.581 12.360 254 HB2 TYR 33 1HB TYR 33 9.646 -7.650 14.711 255 HB3 TYR 33 2HB TYR 33 8.387 -7.104 13.609 256 HD1 TYR 33 HD1 TYR 33 9.001 -9.796 16.129 257 HD2 TYR 33 HD2 TYR 33 6.201 -7.129 14.354 258 HE1 TYR 33 HE1 TYR 33 7.287 -10.539 17.730 259 HE2 TYR 33 HE2 TYR 33 4.480 -7.863 15.951 260 HH TYR 33 HH TYR 33 5.206 -10.279 18.453 261 H GLN 34 H GLN 34 11.695 -9.048 13.486 262 HA GLN 34 HA GLN 34 11.709 -11.709 14.741 263 HB2 GLN 34 1HB GLN 34 14.197 -11.620 14.149 264 HB3 GLN 34 2HB GLN 34 13.060 -11.816 12.822 265 HG2 GLN 34 1HG GLN 34 13.430 -9.705 12.007 266 HG3 GLN 34 2HG GLN 34 13.952 -9.077 13.569 267 HE21 GLN 34 2HE2 GLN 34 15.928 -10.629 14.355 268 HE22 GLN 34 1HE2 GLN 34 17.230 -10.642 13.219 269 H ILE 35 H ILE 35 10.964 -10.240 16.629 270 HA ILE 35 HA ILE 35 13.299 -9.816 18.303 271 HB ILE 35 HB ILE 35 12.567 -7.600 19.068 272 HG12 ILE 35 1HG1 ILE 35 10.967 -6.485 17.232 273 HG13 ILE 35 2HG1 ILE 35 10.378 -8.140 17.126 274 HG21 ILE 35 1HG2 ILE 35 12.983 -7.663 16.083 275 HG22 ILE 35 2HG2 ILE 35 13.369 -6.339 17.180 276 HG23 ILE 35 3HG2 ILE 35 14.263 -7.855 17.280 277 HD11 ILE 35 3HD1 ILE 35 9.227 -6.503 18.738 278 HD12 ILE 35 1HD1 ILE 35 9.595 -8.132 19.303 279 HD13 ILE 35 2HD1 ILE 35 10.626 -6.781 19.774 Start of MODEL 18 1 H1 GLU 1 H GLU 1 2.940 0.741 -3.222 2 HA GLU 1 HA GLU 1 2.562 0.362 -0.327 3 HB2 GLU 1 1HB GLU 1 0.648 -1.137 -0.860 4 HB3 GLU 1 2HB GLU 1 0.363 0.544 -1.290 5 HG2 GLU 1 1HG GLU 1 1.205 -0.193 -3.636 6 HG3 GLU 1 2HG GLU 1 0.809 -1.812 -3.061 7 H CYS 2 H CYS 2 3.483 -1.409 0.521 8 HA CYS 2 HA CYS 2 4.245 -3.627 -1.218 9 HB2 CYS 2 1HB CYS 2 6.542 -3.625 -0.107 10 HB3 CYS 2 2HB CYS 2 6.252 -2.381 -1.319 11 H LEU 3 H LEU 3 4.571 -5.594 -0.131 12 HA LEU 3 HA LEU 3 2.975 -6.012 2.137 13 HB2 LEU 3 1HB LEU 3 4.164 -8.256 2.204 14 HB3 LEU 3 2HB LEU 3 3.280 -7.852 0.733 15 HG LEU 3 HG LEU 3 5.861 -6.985 0.217 16 HD11 LEU 3 1HD1 LEU 3 7.099 -8.036 1.789 17 HD12 LEU 3 2HD1 LEU 3 6.933 -9.392 0.673 18 HD13 LEU 3 3HD1 LEU 3 5.880 -9.276 2.083 19 HD21 LEU 3 3HD2 LEU 3 5.685 -9.510 -0.893 20 HD22 LEU 3 1HD2 LEU 3 5.107 -8.007 -1.613 21 HD23 LEU 3 2HD2 LEU 3 4.002 -9.023 -0.687 22 H GLU 4 H GLU 4 3.564 -4.724 3.855 23 HA GLU 4 HA GLU 4 6.287 -4.873 4.877 24 HB2 GLU 4 1HB GLU 4 3.878 -3.222 5.610 25 HB3 GLU 4 2HB GLU 4 5.317 -3.257 6.620 26 HG2 GLU 4 1HG GLU 4 6.656 -2.440 4.752 27 HG3 GLU 4 2HG GLU 4 5.217 -2.411 3.733 28 H ILE 5 H ILE 5 3.776 -4.451 7.177 29 HA ILE 5 HA ILE 5 4.602 -6.888 8.539 30 HB ILE 5 HB ILE 5 4.407 -4.716 9.766 31 HG12 ILE 5 1HG1 ILE 5 2.697 -5.903 11.525 32 HG13 ILE 5 2HG1 ILE 5 3.161 -7.279 10.531 33 HG21 ILE 5 1HG2 ILE 5 1.495 -4.980 10.033 34 HG22 ILE 5 2HG2 ILE 5 2.500 -3.537 9.914 35 HG23 ILE 5 3HG2 ILE 5 2.052 -4.422 8.456 36 HD11 ILE 5 3HD1 ILE 5 5.302 -7.263 11.268 37 HD12 ILE 5 1HD1 ILE 5 5.326 -5.517 11.514 38 HD13 ILE 5 2HD1 ILE 5 4.518 -6.562 12.683 39 H PHE 6 H PHE 6 3.289 -8.604 9.004 40 HA PHE 6 HA PHE 6 1.635 -10.126 8.648 41 HB2 PHE 6 1HB PHE 6 -0.139 -7.676 8.730 42 HB3 PHE 6 2HB PHE 6 -0.657 -9.340 8.979 43 HD1 PHE 6 HD1 PHE 6 0.757 -10.594 10.878 44 HD2 PHE 6 HD2 PHE 6 0.166 -6.389 10.595 45 HE1 PHE 6 HE1 PHE 6 1.203 -10.373 13.288 46 HE2 PHE 6 HE2 PHE 6 0.613 -6.160 13.004 47 HZ PHE 6 HZ PHE 6 1.133 -8.154 14.353 48 H LYS 7 H LYS 7 2.825 -8.549 6.321 49 HA LYS 7 HA LYS 7 0.685 -8.912 4.348 50 HB2 LYS 7 1HB LYS 7 3.390 -7.598 4.024 51 HB3 LYS 7 2HB LYS 7 2.103 -7.628 2.826 52 HG2 LYS 7 1HG LYS 7 2.301 -6.066 5.354 53 HG3 LYS 7 2HG LYS 7 1.854 -5.534 3.732 54 HD2 LYS 7 1HD LYS 7 -0.242 -6.910 3.979 55 HD3 LYS 7 2HD LYS 7 0.192 -7.127 5.676 56 HE2 LYS 7 1HE LYS 7 0.316 -4.581 5.790 57 HE3 LYS 7 2HE LYS 7 -0.507 -4.586 4.231 58 HZ1 LYS 7 3HZ LYS 7 -2.425 -5.409 5.143 59 HZ2 LYS 7 1HZ LYS 7 -1.865 -4.456 6.423 60 HZ3 LYS 7 2HZ LYS 7 -1.641 -6.132 6.456 61 H ALA 8 H ALA 8 0.704 -10.546 2.937 62 HA ALA 8 HA ALA 8 2.504 -12.697 3.199 63 HB1 ALA 8 1HB ALA 8 1.160 -13.805 1.742 64 HB2 ALA 8 2HB ALA 8 0.058 -12.495 2.171 65 HB3 ALA 8 3HB ALA 8 0.983 -12.413 0.672 66 H CYS 9 H CYS 9 4.284 -13.307 2.065 67 HA CYS 9 HA CYS 9 5.351 -11.341 0.152 68 HB2 CYS 9 1HB CYS 9 7.580 -12.326 0.718 69 HB3 CYS 9 2HB CYS 9 6.775 -11.555 2.082 70 H ASN 10 H ASN 10 5.606 -11.918 -1.903 71 HA ASN 10 HA ASN 10 4.785 -14.480 -2.823 72 HB2 ASN 10 1HB ASN 10 5.615 -13.609 -5.058 73 HB3 ASN 10 2HB ASN 10 4.382 -12.631 -4.267 74 HD21 ASN 10 2HD2 ASN 10 5.047 -10.843 -5.502 75 HD22 ASN 10 1HD2 ASN 10 6.478 -9.961 -5.103 76 HA PRO 11 HA PRO 11 8.539 -16.760 -2.726 77 HB2 PRO 11 1HB PRO 11 8.157 -18.420 -4.839 78 HB3 PRO 11 2HB PRO 11 7.285 -18.593 -3.312 79 HG2 PRO 11 1HG PRO 11 6.390 -17.326 -5.872 80 HG3 PRO 11 2HG PRO 11 5.494 -18.401 -4.782 81 HD2 PRO 11 1HD PRO 11 5.153 -15.715 -4.784 82 HD3 PRO 11 2HD PRO 11 4.987 -16.697 -3.315 83 H SER 12 H SER 12 7.676 -14.816 -5.419 84 HA SER 12 HA SER 12 9.983 -15.321 -7.025 85 HB2 SER 12 1HB SER 12 7.786 -14.365 -7.848 86 HB3 SER 12 2HB SER 12 8.250 -12.845 -7.084 87 HG SER 12 HG SER 12 8.799 -13.252 -9.424 88 H ASN 13 H ASN 13 9.032 -12.553 -4.986 89 HA ASN 13 HA ASN 13 11.811 -11.641 -4.981 90 HB2 ASN 13 1HB ASN 13 9.286 -10.302 -3.985 91 HB3 ASN 13 2HB ASN 13 10.893 -9.582 -3.942 92 HD21 ASN 13 2HD2 ASN 13 8.880 -8.292 -5.213 93 HD22 ASN 13 1HD2 ASN 13 9.133 -8.327 -6.922 94 H ASP 14 H ASP 14 9.182 -12.245 -2.652 95 HA ASP 14 HA ASP 14 9.199 -12.924 -0.481 96 HB2 ASP 14 1HB ASP 14 10.677 -14.725 -1.532 97 HB3 ASP 14 2HB ASP 14 12.048 -13.820 -0.896 98 H GLN 15 H GLN 15 11.603 -10.806 -1.675 99 HA GLN 15 HA GLN 15 12.792 -10.065 0.800 100 HB2 GLN 15 1HB GLN 15 12.677 -8.756 -1.910 101 HB3 GLN 15 2HB GLN 15 13.481 -7.996 -0.543 102 HG2 GLN 15 1HG GLN 15 14.171 -10.765 -1.468 103 HG3 GLN 15 2HG GLN 15 14.924 -9.324 -2.148 104 HE21 GLN 15 2HE2 GLN 15 15.687 -7.756 -0.347 105 HE22 GLN 15 1HE2 GLN 15 16.605 -8.491 0.918 106 H CYS 16 H CYS 16 11.435 -9.410 2.376 107 HA CYS 16 HA CYS 16 9.069 -7.955 2.030 108 HB2 CYS 16 1HB CYS 16 10.167 -9.224 4.121 109 HB3 CYS 16 2HB CYS 16 10.597 -7.571 4.551 110 H CYS 17 H CYS 17 8.565 -5.768 2.400 111 HA CYS 17 HA CYS 17 10.151 -3.881 1.180 112 HB2 CYS 17 1HB CYS 17 7.646 -3.853 2.152 113 HB3 CYS 17 2HB CYS 17 8.443 -2.909 3.407 114 H LYS 18 H LYS 18 11.474 -2.185 1.919 115 HA LYS 18 HA LYS 18 13.148 -2.903 4.147 116 HB2 LYS 18 1HB LYS 18 13.211 -0.867 1.979 117 HB3 LYS 18 2HB LYS 18 14.122 -0.515 3.441 118 HG2 LYS 18 1HG LYS 18 15.636 -1.544 1.970 119 HG3 LYS 18 2HG LYS 18 15.208 -2.779 3.156 120 HD2 LYS 18 1HD LYS 18 15.168 -3.819 1.015 121 HD3 LYS 18 2HD LYS 18 13.489 -3.609 1.519 122 HE2 LYS 18 1HE LYS 18 13.262 -1.668 0.107 123 HE3 LYS 18 2HE LYS 18 14.975 -1.724 -0.307 124 HZ1 LYS 18 3HZ LYS 18 14.420 -4.056 -1.180 125 HZ2 LYS 18 1HZ LYS 18 13.948 -2.721 -2.106 126 HZ3 LYS 18 2HZ LYS 18 12.810 -3.537 -1.157 127 H SER 19 H SER 19 10.250 -1.370 3.972 128 HA SER 19 HA SER 19 10.535 0.903 5.579 129 HB2 SER 19 1HB SER 19 8.171 -0.971 5.320 130 HB3 SER 19 2HB SER 19 8.114 0.632 6.053 131 HG SER 19 HG SER 19 8.896 1.416 3.972 132 H SER 20 H SER 20 10.696 -2.433 6.361 133 HA SER 20 HA SER 20 11.360 -1.841 9.091 134 HB2 SER 20 1HB SER 20 8.715 -2.095 8.776 135 HB3 SER 20 2HB SER 20 9.129 -3.804 8.907 136 HG SER 20 HG SER 20 9.431 -3.530 10.960 137 H LYS 21 H LYS 21 12.364 -3.580 10.157 138 HA LYS 21 HA LYS 21 13.600 -5.474 8.392 139 HB2 LYS 21 1HB LYS 21 13.805 -4.936 11.348 140 HB3 LYS 21 2HB LYS 21 14.635 -6.292 10.596 141 HG2 LYS 21 1HG LYS 21 14.988 -3.450 9.685 142 HG3 LYS 21 2HG LYS 21 15.997 -4.204 10.921 143 HD2 LYS 21 1HD LYS 21 15.628 -5.575 8.294 144 HD3 LYS 21 2HD LYS 21 16.741 -4.210 8.408 145 HE2 LYS 21 1HE LYS 21 18.189 -5.889 8.915 146 HE3 LYS 21 2HE LYS 21 17.574 -5.563 10.535 147 HZ1 LYS 21 3HZ LYS 21 16.511 -7.523 10.617 148 HZ2 LYS 21 1HZ LYS 21 17.610 -7.982 9.416 149 HZ3 LYS 21 2HZ LYS 21 16.051 -7.485 8.989 150 H LEU 22 H LEU 22 11.288 -6.297 7.898 151 HA LEU 22 HA LEU 22 10.419 -8.306 9.842 152 HB2 LEU 22 1HB LEU 22 9.115 -7.401 7.279 153 HB3 LEU 22 2HB LEU 22 8.421 -8.511 8.459 154 HG LEU 22 HG LEU 22 9.166 -5.761 9.340 155 HD11 LEU 22 1HD1 LEU 22 6.446 -6.183 8.229 156 HD12 LEU 22 2HD1 LEU 22 7.761 -5.856 7.101 157 HD13 LEU 22 3HD1 LEU 22 7.393 -4.703 8.383 158 HD21 LEU 22 3HD2 LEU 22 8.373 -7.519 10.911 159 HD22 LEU 22 1HD2 LEU 22 6.843 -7.553 10.034 160 HD23 LEU 22 2HD2 LEU 22 7.347 -6.085 10.871 161 H VAL 23 H VAL 23 10.139 -10.491 9.272 162 HA VAL 23 HA VAL 23 11.485 -11.348 6.799 163 HB VAL 23 HB VAL 23 12.363 -13.324 8.128 164 HG11 VAL 23 1HG1 VAL 23 14.202 -12.129 7.740 165 HG12 VAL 23 2HG1 VAL 23 13.347 -10.603 7.971 166 HG13 VAL 23 3HG1 VAL 23 14.007 -11.466 9.361 167 HG21 VAL 23 3HG2 VAL 23 12.530 -13.185 10.486 168 HG22 VAL 23 1HG2 VAL 23 11.937 -11.524 10.501 169 HG23 VAL 23 2HG2 VAL 23 10.844 -12.847 10.092 170 H CYS 24 H CYS 24 10.769 -13.314 5.911 171 HA CYS 24 HA CYS 24 8.490 -14.637 7.159 172 HB2 CYS 24 1HB CYS 24 7.037 -14.393 5.276 173 HB3 CYS 24 2HB CYS 24 7.607 -12.782 5.701 174 H SER 25 H SER 25 11.340 -15.206 6.354 175 HA SER 25 HA SER 25 11.399 -16.959 4.163 176 HB2 SER 25 1HB SER 25 13.480 -16.167 5.008 177 HB3 SER 25 2HB SER 25 13.125 -16.756 6.632 178 HG SER 25 HG SER 25 13.954 -18.162 4.361 179 H ARG 26 H ARG 26 11.810 -18.052 7.518 180 HA ARG 26 HA ARG 26 10.412 -20.526 6.820 181 HB2 ARG 26 1HB ARG 26 11.915 -19.924 9.368 182 HB3 ARG 26 2HB ARG 26 11.437 -21.499 8.750 183 HG2 ARG 26 1HG ARG 26 13.384 -19.689 7.346 184 HG3 ARG 26 2HG ARG 26 13.860 -20.941 8.496 185 HD2 ARG 26 1HD ARG 26 12.529 -22.548 7.020 186 HD3 ARG 26 2HD ARG 26 12.538 -21.259 5.817 187 HE ARG 26 HE ARG 26 14.696 -21.807 5.344 188 HH11 ARG 26 1HH1 ARG 26 13.938 -22.970 8.537 189 HH12 ARG 26 2HH1 ARG 26 15.461 -23.769 8.749 190 HH21 ARG 26 1HH2 ARG 26 16.705 -22.855 5.611 191 HH22 ARG 26 2HH2 ARG 26 17.034 -23.702 7.085 192 H LYS 27 H LYS 27 9.985 -17.619 8.581 193 HA LYS 27 HA LYS 27 8.153 -18.491 10.543 194 HB2 LYS 27 1HB LYS 27 9.392 -16.122 9.964 195 HB3 LYS 27 2HB LYS 27 7.735 -15.778 9.488 196 HG2 LYS 27 1HG LYS 27 7.506 -15.200 11.641 197 HG3 LYS 27 2HG LYS 27 7.317 -16.938 11.886 198 HD2 LYS 27 1HD LYS 27 9.895 -16.941 12.120 199 HD3 LYS 27 2HD LYS 27 9.711 -15.205 12.383 200 HE2 LYS 27 1HE LYS 27 8.105 -15.709 14.208 201 HE3 LYS 27 2HE LYS 27 8.446 -17.425 13.986 202 HZ1 LYS 27 3HZ LYS 27 10.244 -15.307 14.989 203 HZ2 LYS 27 1HZ LYS 27 10.862 -16.754 14.368 204 HZ3 LYS 27 2HZ LYS 27 9.837 -16.781 15.713 205 H THR 28 H THR 28 5.921 -16.879 10.240 206 HA THR 28 HA THR 28 4.212 -18.504 8.735 207 HB THR 28 HB THR 28 2.654 -16.393 8.921 208 HG1 THR 28 HG1 THR 28 4.409 -15.758 11.033 209 HG21 THR 28 3HG2 THR 28 1.911 -17.981 10.340 210 HG22 THR 28 1HG2 THR 28 2.694 -16.990 11.570 211 HG23 THR 28 2HG2 THR 28 3.534 -18.387 10.897 212 H ARG 29 H ARG 29 2.785 -17.741 6.940 213 HA ARG 29 HA ARG 29 4.295 -17.101 4.674 214 HB2 ARG 29 1HB ARG 29 1.380 -17.294 5.278 215 HB3 ARG 29 2HB ARG 29 1.867 -16.536 3.768 216 HG2 ARG 29 1HG ARG 29 3.147 -18.575 3.204 217 HG3 ARG 29 2HG ARG 29 2.527 -19.329 4.674 218 HD2 ARG 29 1HD ARG 29 0.213 -18.880 3.803 219 HD3 ARG 29 2HD ARG 29 0.958 -18.398 2.279 220 HE ARG 29 HE ARG 29 1.342 -20.607 1.802 221 HH11 ARG 29 1HH1 ARG 29 0.506 -20.280 5.166 222 HH12 ARG 29 2HH1 ARG 29 0.371 -21.987 5.433 223 HH21 ARG 29 1HH2 ARG 29 1.167 -22.856 2.141 224 HH22 ARG 29 2HH2 ARG 29 0.748 -23.451 3.712 225 H TRP 30 H TRP 30 2.913 -15.088 7.073 226 HA TRP 30 HA TRP 30 3.127 -12.717 5.357 227 HB2 TRP 30 1HB TRP 30 1.892 -11.545 7.132 228 HB3 TRP 30 2HB TRP 30 1.014 -12.963 6.565 229 HD1 TRP 30 HD1 TRP 30 2.986 -11.690 9.604 230 HE1 TRP 30 HE1 TRP 30 2.362 -13.134 11.642 231 HE3 TRP 30 HE3 TRP 30 0.133 -15.222 7.254 232 HZ2 TRP 30 HZ2 TRP 30 0.860 -15.462 12.181 233 HZ3 TRP 30 HZ3 TRP 30 -0.860 -17.024 8.602 234 HH2 TRP 30 HH2 TRP 30 -0.503 -17.140 11.015 235 H CYS 31 H CYS 31 4.465 -11.006 5.860 236 HA CYS 31 HA CYS 31 6.898 -11.576 7.120 237 HB2 CYS 31 1HB CYS 31 5.587 -9.131 6.047 238 HB3 CYS 31 2HB CYS 31 6.954 -8.901 7.133 239 H LYS 32 H LYS 32 7.590 -11.439 9.163 240 HA LYS 32 HA LYS 32 5.996 -9.932 11.111 241 HB2 LYS 32 1HB LYS 32 6.297 -12.811 10.986 242 HB3 LYS 32 2HB LYS 32 6.921 -12.176 12.502 243 HG2 LYS 32 1HG LYS 32 4.679 -10.890 12.608 244 HG3 LYS 32 2HG LYS 32 4.141 -12.073 11.415 245 HD2 LYS 32 1HD LYS 32 4.479 -13.873 12.894 246 HD3 LYS 32 2HD LYS 32 5.449 -12.892 13.995 247 HE2 LYS 32 1HE LYS 32 3.640 -12.065 15.042 248 HE3 LYS 32 2HE LYS 32 2.733 -11.884 13.541 249 HZ1 LYS 32 3HZ LYS 32 3.145 -14.621 14.355 250 HZ2 LYS 32 1HZ LYS 32 1.737 -13.850 13.820 251 HZ3 LYS 32 2HZ LYS 32 2.211 -13.717 15.438 252 H TYR 33 H TYR 33 7.147 -9.196 12.934 253 HA TYR 33 HA TYR 33 9.868 -8.554 12.426 254 HB2 TYR 33 1HB TYR 33 9.745 -7.661 14.829 255 HB3 TYR 33 2HB TYR 33 8.667 -6.937 13.642 256 HD1 TYR 33 HD1 TYR 33 8.681 -9.750 16.107 257 HD2 TYR 33 HD2 TYR 33 6.462 -6.632 14.247 258 HE1 TYR 33 HE1 TYR 33 6.757 -10.267 17.549 259 HE2 TYR 33 HE2 TYR 33 4.533 -7.140 15.685 260 HH TYR 33 HH TYR 33 4.487 -8.478 18.300 261 H GLN 34 H GLN 34 11.726 -9.161 13.590 262 HA GLN 34 HA GLN 34 11.667 -11.912 14.500 263 HB2 GLN 34 1HB GLN 34 13.434 -11.069 12.958 264 HB3 GLN 34 2HB GLN 34 14.023 -10.035 14.253 265 HG2 GLN 34 1HG GLN 34 14.481 -12.027 15.612 266 HG3 GLN 34 2HG GLN 34 13.938 -13.043 14.278 267 HE21 GLN 34 2HE2 GLN 34 16.434 -13.362 15.324 268 HE22 GLN 34 1HE2 GLN 34 17.622 -12.833 14.187 269 H ILE 35 H ILE 35 11.920 -12.608 16.549 270 HA ILE 35 HA ILE 35 11.921 -10.576 18.651 271 HB ILE 35 HB ILE 35 11.362 -13.539 18.827 272 HG12 ILE 35 1HG1 ILE 35 9.020 -12.418 19.420 273 HG13 ILE 35 2HG1 ILE 35 9.656 -11.131 18.402 274 HG21 ILE 35 1HG2 ILE 35 11.848 -11.520 20.844 275 HG22 ILE 35 2HG2 ILE 35 10.263 -12.268 21.029 276 HG23 ILE 35 3HG2 ILE 35 11.713 -13.270 21.009 277 HD11 ILE 35 3HD1 ILE 35 8.212 -13.063 17.396 278 HD12 ILE 35 1HD1 ILE 35 9.591 -12.411 16.512 279 HD13 ILE 35 2HD1 ILE 35 9.749 -13.927 17.399 Start of MODEL 19 1 H1 GLU 1 H GLU 1 2.874 1.970 0.407 2 HA GLU 1 HA GLU 1 1.685 0.119 -0.996 3 HB2 GLU 1 1HB GLU 1 2.907 0.854 -3.076 4 HB3 GLU 1 2HB GLU 1 2.235 2.153 -2.101 5 HG2 GLU 1 1HG GLU 1 4.484 2.477 -1.093 6 HG3 GLU 1 2HG GLU 1 5.112 1.286 -2.231 7 H CYS 2 H CYS 2 3.236 -1.431 0.688 8 HA CYS 2 HA CYS 2 4.183 -3.423 -1.125 9 HB2 CYS 2 1HB CYS 2 6.502 -3.510 -0.059 10 HB3 CYS 2 2HB CYS 2 6.213 -2.215 -1.216 11 H LEU 3 H LEU 3 4.570 -5.438 -0.108 12 HA LEU 3 HA LEU 3 2.983 -5.936 2.159 13 HB2 LEU 3 1HB LEU 3 4.151 -8.189 2.118 14 HB3 LEU 3 2HB LEU 3 3.256 -7.719 0.675 15 HG LEU 3 HG LEU 3 5.838 -6.854 0.166 16 HD11 LEU 3 1HD1 LEU 3 5.861 -9.195 1.958 17 HD12 LEU 3 2HD1 LEU 3 7.101 -7.977 1.659 18 HD13 LEU 3 3HD1 LEU 3 6.876 -9.304 0.519 19 HD21 LEU 3 3HD2 LEU 3 5.539 -9.404 -0.974 20 HD22 LEU 3 1HD2 LEU 3 5.183 -7.841 -1.709 21 HD23 LEU 3 2HD2 LEU 3 3.918 -8.720 -0.851 22 H GLU 4 H GLU 4 3.627 -4.683 3.896 23 HA GLU 4 HA GLU 4 6.356 -4.928 4.882 24 HB2 GLU 4 1HB GLU 4 4.002 -3.225 5.664 25 HB3 GLU 4 2HB GLU 4 5.431 -3.336 6.682 26 HG2 GLU 4 1HG GLU 4 6.807 -2.375 5.021 27 HG3 GLU 4 2HG GLU 4 5.556 -2.540 3.790 28 H ILE 5 H ILE 5 3.882 -4.498 7.220 29 HA ILE 5 HA ILE 5 4.659 -6.987 8.513 30 HB ILE 5 HB ILE 5 4.535 -4.846 9.797 31 HG12 ILE 5 1HG1 ILE 5 2.826 -6.011 11.554 32 HG13 ILE 5 2HG1 ILE 5 3.193 -7.381 10.512 33 HG21 ILE 5 1HG2 ILE 5 1.656 -4.968 10.180 34 HG22 ILE 5 2HG2 ILE 5 2.701 -3.580 9.880 35 HG23 ILE 5 3HG2 ILE 5 2.109 -4.545 8.528 36 HD11 ILE 5 3HD1 ILE 5 5.378 -7.459 11.154 37 HD12 ILE 5 1HD1 ILE 5 5.444 -5.738 11.536 38 HD13 ILE 5 2HD1 ILE 5 4.634 -6.855 12.635 39 H PHE 6 H PHE 6 3.307 -8.679 8.953 40 HA PHE 6 HA PHE 6 1.603 -10.145 8.597 41 HB2 PHE 6 1HB PHE 6 -0.088 -7.639 8.710 42 HB3 PHE 6 2HB PHE 6 -0.671 -9.287 8.920 43 HD1 PHE 6 HD1 PHE 6 0.600 -10.641 10.814 44 HD2 PHE 6 HD2 PHE 6 0.333 -6.399 10.590 45 HE1 PHE 6 HE1 PHE 6 1.038 -10.490 13.230 46 HE2 PHE 6 HE2 PHE 6 0.771 -6.241 13.006 47 HZ PHE 6 HZ PHE 6 1.125 -8.288 14.329 48 H LYS 7 H LYS 7 2.829 -8.549 6.286 49 HA LYS 7 HA LYS 7 0.685 -8.862 4.309 50 HB2 LYS 7 1HB LYS 7 3.407 -7.584 3.988 51 HB3 LYS 7 2HB LYS 7 2.106 -7.569 2.805 52 HG2 LYS 7 1HG LYS 7 2.353 -6.063 5.365 53 HG3 LYS 7 2HG LYS 7 1.916 -5.485 3.755 54 HD2 LYS 7 1HD LYS 7 -0.195 -6.896 4.009 55 HD3 LYS 7 2HD LYS 7 0.229 -7.016 5.718 56 HE2 LYS 7 1HE LYS 7 0.217 -4.315 4.488 57 HE3 LYS 7 2HE LYS 7 -1.343 -5.090 4.765 58 HZ1 LYS 7 3HZ LYS 7 -1.202 -4.492 6.877 59 HZ2 LYS 7 1HZ LYS 7 0.323 -3.804 6.624 60 HZ3 LYS 7 2HZ LYS 7 0.192 -5.431 7.067 61 H ALA 8 H ALA 8 0.682 -10.482 2.881 62 HA ALA 8 HA ALA 8 2.471 -12.649 3.114 63 HB1 ALA 8 1HB ALA 8 1.194 -13.714 1.499 64 HB2 ALA 8 2HB ALA 8 0.045 -12.588 2.223 65 HB3 ALA 8 3HB ALA 8 0.796 -12.207 0.674 66 H CYS 9 H CYS 9 4.236 -13.257 1.957 67 HA CYS 9 HA CYS 9 5.275 -11.293 0.025 68 HB2 CYS 9 1HB CYS 9 7.512 -12.136 0.594 69 HB3 CYS 9 2HB CYS 9 6.668 -11.545 2.022 70 H ASN 10 H ASN 10 6.012 -11.950 -1.958 71 HA ASN 10 HA ASN 10 4.916 -14.350 -3.018 72 HB2 ASN 10 1HB ASN 10 6.096 -11.950 -4.038 73 HB3 ASN 10 2HB ASN 10 6.891 -13.331 -4.789 74 HD21 ASN 10 2HD2 ASN 10 6.033 -13.233 -6.781 75 HD22 ASN 10 1HD2 ASN 10 4.347 -13.385 -7.128 76 HA PRO 11 HA PRO 11 8.155 -17.238 -2.334 77 HB2 PRO 11 1HB PRO 11 7.832 -18.854 -4.492 78 HB3 PRO 11 2HB PRO 11 6.711 -18.841 -3.125 79 HG2 PRO 11 1HG PRO 11 6.466 -17.495 -5.787 80 HG3 PRO 11 2HG PRO 11 5.237 -18.376 -4.862 81 HD2 PRO 11 1HD PRO 11 5.370 -15.672 -4.901 82 HD3 PRO 11 2HD PRO 11 4.806 -16.579 -3.483 83 H SER 12 H SER 12 8.010 -15.420 -5.297 84 HA SER 12 HA SER 12 10.693 -16.221 -6.097 85 HB2 SER 12 1HB SER 12 8.387 -15.124 -7.429 86 HB3 SER 12 2HB SER 12 9.792 -14.102 -7.731 87 HG SER 12 HG SER 12 9.280 -16.171 -9.060 88 H ASN 13 H ASN 13 9.012 -13.509 -4.666 89 HA ASN 13 HA ASN 13 11.400 -11.840 -4.769 90 HB2 ASN 13 1HB ASN 13 8.554 -11.352 -3.910 91 HB3 ASN 13 2HB ASN 13 9.835 -10.196 -3.555 92 HD21 ASN 13 2HD2 ASN 13 8.123 -9.002 -4.917 93 HD22 ASN 13 1HD2 ASN 13 8.450 -8.932 -6.612 94 H ASP 14 H ASP 14 9.069 -12.593 -2.177 95 HA ASP 14 HA ASP 14 9.345 -13.042 0.036 96 HB2 ASP 14 1HB ASP 14 10.910 -14.812 -1.088 97 HB3 ASP 14 2HB ASP 14 12.205 -13.808 -0.442 98 H GLN 15 H GLN 15 11.487 -10.947 -1.608 99 HA GLN 15 HA GLN 15 12.884 -9.899 0.634 100 HB2 GLN 15 1HB GLN 15 12.325 -8.461 -1.958 101 HB3 GLN 15 2HB GLN 15 13.657 -8.184 -0.844 102 HG2 GLN 15 1HG GLN 15 14.173 -10.715 -1.399 103 HG3 GLN 15 2HG GLN 15 13.285 -10.316 -2.869 104 HE21 GLN 15 2HE2 GLN 15 16.223 -10.804 -2.035 105 HE22 GLN 15 1HE2 GLN 15 17.071 -9.541 -2.855 106 H CYS 16 H CYS 16 11.437 -9.378 2.255 107 HA CYS 16 HA CYS 16 9.070 -7.917 1.944 108 HB2 CYS 16 1HB CYS 16 10.213 -9.199 4.017 109 HB3 CYS 16 2HB CYS 16 10.598 -7.539 4.458 110 H CYS 17 H CYS 17 8.569 -5.736 2.305 111 HA CYS 17 HA CYS 17 10.180 -3.846 1.112 112 HB2 CYS 17 1HB CYS 17 7.658 -3.801 1.956 113 HB3 CYS 17 2HB CYS 17 8.381 -2.939 3.310 114 H LYS 18 H LYS 18 11.485 -2.151 1.883 115 HA LYS 18 HA LYS 18 13.050 -2.859 4.209 116 HB2 LYS 18 1HB LYS 18 13.316 -0.945 1.946 117 HB3 LYS 18 2HB LYS 18 14.174 -0.564 3.433 118 HG2 LYS 18 1HG LYS 18 15.767 -1.746 2.294 119 HG3 LYS 18 2HG LYS 18 15.011 -3.031 3.239 120 HD2 LYS 18 1HD LYS 18 15.094 -3.976 1.132 121 HD3 LYS 18 2HD LYS 18 13.470 -3.284 1.154 122 HE2 LYS 18 1HE LYS 18 14.339 -2.636 -0.916 123 HE3 LYS 18 2HE LYS 18 14.545 -1.211 0.102 124 HZ1 LYS 18 3HZ LYS 18 16.538 -1.598 -1.148 125 HZ2 LYS 18 1HZ LYS 18 16.638 -3.196 -0.601 126 HZ3 LYS 18 2HZ LYS 18 16.857 -1.915 0.482 127 H SER 19 H SER 19 10.215 -1.306 3.878 128 HA SER 19 HA SER 19 10.492 1.084 5.311 129 HB2 SER 19 1HB SER 19 8.418 0.961 4.330 130 HB3 SER 19 2HB SER 19 8.236 -0.758 4.681 131 HG SER 19 HG SER 19 7.827 1.451 6.388 132 H SER 20 H SER 20 10.450 -2.217 6.351 133 HA SER 20 HA SER 20 11.186 -1.453 9.021 134 HB2 SER 20 1HB SER 20 8.447 -2.473 8.419 135 HB3 SER 20 2HB SER 20 9.240 -3.048 9.885 136 HG SER 20 HG SER 20 7.917 -1.018 9.965 137 H LYS 21 H LYS 21 12.070 -3.166 10.221 138 HA LYS 21 HA LYS 21 13.231 -5.237 8.657 139 HB2 LYS 21 1HB LYS 21 14.240 -4.116 10.702 140 HB3 LYS 21 2HB LYS 21 13.157 -5.108 11.671 141 HG2 LYS 21 1HG LYS 21 14.233 -7.087 11.064 142 HG3 LYS 21 2HG LYS 21 15.033 -6.334 9.682 143 HD2 LYS 21 1HD LYS 21 15.583 -5.478 12.511 144 HD3 LYS 21 2HD LYS 21 16.461 -6.803 11.744 145 HE2 LYS 21 1HE LYS 21 16.247 -4.133 10.404 146 HE3 LYS 21 2HE LYS 21 17.451 -4.411 11.661 147 HZ1 LYS 21 3HZ LYS 21 17.219 -5.702 9.017 148 HZ2 LYS 21 1HZ LYS 21 18.084 -6.440 10.269 149 HZ3 LYS 21 2HZ LYS 21 18.553 -4.918 9.700 150 H LEU 22 H LEU 22 11.834 -6.711 7.842 151 HA LEU 22 HA LEU 22 10.420 -8.391 9.783 152 HB2 LEU 22 1HB LEU 22 9.198 -7.427 7.203 153 HB3 LEU 22 2HB LEU 22 8.446 -8.491 8.389 154 HG LEU 22 HG LEU 22 9.283 -5.777 9.274 155 HD11 LEU 22 1HD1 LEU 22 7.929 -4.642 7.936 156 HD12 LEU 22 2HD1 LEU 22 6.582 -5.712 8.325 157 HD13 LEU 22 3HD1 LEU 22 7.673 -6.115 6.999 158 HD21 LEU 22 3HD2 LEU 22 7.185 -6.020 10.587 159 HD22 LEU 22 1HD2 LEU 22 8.379 -7.277 10.912 160 HD23 LEU 22 2HD2 LEU 22 6.986 -7.629 9.890 161 H VAL 23 H VAL 23 10.113 -10.550 9.135 162 HA VAL 23 HA VAL 23 11.487 -11.358 6.663 163 HB VAL 23 HB VAL 23 12.342 -13.372 7.943 164 HG11 VAL 23 1HG1 VAL 23 13.727 -11.422 7.238 165 HG12 VAL 23 2HG1 VAL 23 13.461 -10.719 8.835 166 HG13 VAL 23 3HG1 VAL 23 14.325 -12.249 8.676 167 HG21 VAL 23 3HG2 VAL 23 12.363 -11.886 10.461 168 HG22 VAL 23 1HG2 VAL 23 10.759 -12.421 9.959 169 HG23 VAL 23 2HG2 VAL 23 12.060 -13.596 10.155 170 H CYS 24 H CYS 24 10.763 -13.297 5.722 171 HA CYS 24 HA CYS 24 8.443 -14.608 6.915 172 HB2 CYS 24 1HB CYS 24 7.030 -14.315 5.022 173 HB3 CYS 24 2HB CYS 24 7.650 -12.718 5.429 174 H SER 25 H SER 25 11.355 -15.085 5.972 175 HA SER 25 HA SER 25 11.401 -16.872 3.844 176 HB2 SER 25 1HB SER 25 13.529 -16.297 4.516 177 HB3 SER 25 2HB SER 25 13.135 -16.414 6.231 178 HG SER 25 HG SER 25 13.781 -18.457 4.408 179 H ARG 26 H ARG 26 11.776 -17.965 7.207 180 HA ARG 26 HA ARG 26 10.381 -20.437 6.492 181 HB2 ARG 26 1HB ARG 26 11.803 -19.928 9.092 182 HB3 ARG 26 2HB ARG 26 11.461 -21.466 8.311 183 HG2 ARG 26 1HG ARG 26 13.105 -21.022 6.609 184 HG3 ARG 26 2HG ARG 26 13.383 -19.404 7.257 185 HD2 ARG 26 1HD ARG 26 14.490 -20.202 9.125 186 HD3 ARG 26 2HD ARG 26 13.741 -21.794 9.014 187 HE ARG 26 HE ARG 26 15.389 -21.319 6.764 188 HH11 ARG 26 1HH1 ARG 26 15.538 -22.061 10.163 189 HH12 ARG 26 2HH1 ARG 26 17.064 -22.873 10.052 190 HH21 ARG 26 1HH2 ARG 26 17.398 -22.387 6.605 191 HH22 ARG 26 2HH2 ARG 26 18.122 -23.058 8.028 192 H LYS 27 H LYS 27 9.965 -17.537 8.262 193 HA LYS 27 HA LYS 27 8.152 -18.391 10.239 194 HB2 LYS 27 1HB LYS 27 8.186 -15.689 8.890 195 HB3 LYS 27 2HB LYS 27 7.569 -16.070 10.492 196 HG2 LYS 27 1HG LYS 27 10.013 -16.833 10.956 197 HG3 LYS 27 2HG LYS 27 10.391 -15.822 9.559 198 HD2 LYS 27 1HD LYS 27 10.637 -14.475 11.515 199 HD3 LYS 27 2HD LYS 27 9.167 -13.952 10.690 200 HE2 LYS 27 1HE LYS 27 7.782 -14.888 12.290 201 HE3 LYS 27 2HE LYS 27 9.013 -16.026 12.837 202 HZ1 LYS 27 3HZ LYS 27 8.681 -14.301 14.469 203 HZ2 LYS 27 1HZ LYS 27 9.000 -13.097 13.325 204 HZ3 LYS 27 2HZ LYS 27 10.229 -14.155 13.804 205 H THR 28 H THR 28 5.878 -16.891 9.980 206 HA THR 28 HA THR 28 4.206 -18.546 8.464 207 HB THR 28 HB THR 28 2.636 -16.388 8.708 208 HG1 THR 28 HG1 THR 28 4.470 -15.144 9.510 209 HG21 THR 28 3HG2 THR 28 1.812 -18.135 9.891 210 HG22 THR 28 1HG2 THR 28 2.494 -17.255 11.258 211 HG23 THR 28 2HG2 THR 28 3.392 -18.586 10.530 212 H ARG 29 H ARG 29 2.669 -17.699 6.751 213 HA ARG 29 HA ARG 29 4.102 -17.032 4.443 214 HB2 ARG 29 1HB ARG 29 1.203 -17.165 5.150 215 HB3 ARG 29 2HB ARG 29 1.665 -16.414 3.629 216 HG2 ARG 29 1HG ARG 29 2.857 -18.480 3.005 217 HG3 ARG 29 2HG ARG 29 2.293 -19.226 4.502 218 HD2 ARG 29 1HD ARG 29 0.759 -19.954 2.904 219 HD3 ARG 29 2HD ARG 29 -0.060 -18.604 3.689 220 HE ARG 29 HE ARG 29 1.162 -17.434 1.584 221 HH11 ARG 29 1HH1 ARG 29 -0.925 -20.203 1.892 222 HH12 ARG 29 2HH1 ARG 29 -1.617 -20.021 0.314 223 HH21 ARG 29 1HH2 ARG 29 0.259 -17.183 -0.496 224 HH22 ARG 29 2HH2 ARG 29 -0.942 -18.303 -1.044 225 H TRP 30 H TRP 30 2.851 -15.053 6.941 226 HA TRP 30 HA TRP 30 3.077 -12.646 5.272 227 HB2 TRP 30 1HB TRP 30 1.920 -11.500 7.162 228 HB3 TRP 30 2HB TRP 30 0.970 -12.797 6.442 229 HD1 TRP 30 HD1 TRP 30 2.793 -11.850 9.659 230 HE1 TRP 30 HE1 TRP 30 2.084 -13.478 11.522 231 HE3 TRP 30 HE3 TRP 30 0.132 -15.190 6.848 232 HZ2 TRP 30 HZ2 TRP 30 0.594 -15.863 11.768 233 HZ3 TRP 30 HZ3 TRP 30 -0.903 -17.117 7.974 234 HH2 TRP 30 HH2 TRP 30 -0.675 -17.446 10.382 235 H CYS 31 H CYS 31 4.481 -11.001 5.774 236 HA CYS 31 HA CYS 31 6.891 -11.652 7.038 237 HB2 CYS 31 1HB CYS 31 5.667 -9.191 5.928 238 HB3 CYS 31 2HB CYS 31 6.986 -8.959 7.070 239 H LYS 32 H LYS 32 7.653 -11.417 9.065 240 HA LYS 32 HA LYS 32 6.083 -9.906 11.018 241 HB2 LYS 32 1HB LYS 32 6.722 -12.834 11.140 242 HB3 LYS 32 2HB LYS 32 6.569 -11.905 12.625 243 HG2 LYS 32 1HG LYS 32 4.336 -11.274 11.019 244 HG3 LYS 32 2HG LYS 32 4.526 -13.029 10.994 245 HD2 LYS 32 1HD LYS 32 3.167 -12.626 12.855 246 HD3 LYS 32 2HD LYS 32 4.779 -12.844 13.539 247 HE2 LYS 32 1HE LYS 32 4.046 -10.083 12.800 248 HE3 LYS 32 2HE LYS 32 3.152 -10.783 14.149 249 HZ1 LYS 32 3HZ LYS 32 4.904 -10.551 15.468 250 HZ2 LYS 32 1HZ LYS 32 5.650 -9.649 14.247 251 HZ3 LYS 32 2HZ LYS 32 5.939 -11.312 14.367 252 H TYR 33 H TYR 33 7.260 -9.196 12.832 253 HA TYR 33 HA TYR 33 10.026 -8.712 12.316 254 HB2 TYR 33 1HB TYR 33 9.939 -7.634 14.615 255 HB3 TYR 33 2HB TYR 33 8.839 -6.973 13.411 256 HD1 TYR 33 HD1 TYR 33 8.885 -9.589 16.083 257 HD2 TYR 33 HD2 TYR 33 6.652 -6.595 14.044 258 HE1 TYR 33 HE1 TYR 33 6.997 -9.962 17.614 259 HE2 TYR 33 HE2 TYR 33 4.759 -6.959 15.570 260 HH TYR 33 HH TYR 33 3.886 -8.460 17.095 261 H GLN 34 H GLN 34 11.821 -9.364 13.553 262 HA GLN 34 HA GLN 34 11.507 -12.013 14.735 263 HB2 GLN 34 1HB GLN 34 14.007 -12.058 14.634 264 HB3 GLN 34 2HB GLN 34 13.223 -11.869 13.071 265 HG2 GLN 34 1HG GLN 34 13.848 -9.635 12.889 266 HG3 GLN 34 2HG GLN 34 14.180 -9.491 14.615 267 HE21 GLN 34 2HE2 GLN 34 16.145 -8.511 13.482 268 HE22 GLN 34 1HE2 GLN 34 17.477 -9.580 13.224 269 H ILE 35 H ILE 35 12.047 -12.526 16.818 270 HA ILE 35 HA ILE 35 12.392 -10.245 18.632 271 HB ILE 35 HB ILE 35 11.572 -13.074 19.301 272 HG12 ILE 35 1HG1 ILE 35 9.836 -10.603 19.147 273 HG13 ILE 35 2HG1 ILE 35 9.947 -11.801 17.862 274 HG21 ILE 35 1HG2 ILE 35 12.305 -12.330 21.315 275 HG22 ILE 35 2HG2 ILE 35 12.075 -10.633 20.897 276 HG23 ILE 35 3HG2 ILE 35 10.690 -11.623 21.356 277 HD11 ILE 35 3HD1 ILE 35 8.114 -12.592 18.914 278 HD12 ILE 35 1HD1 ILE 35 9.336 -13.427 19.872 279 HD13 ILE 35 2HD1 ILE 35 8.597 -11.947 20.483 Start of MODEL 20 1 H1 GLU 1 H GLU 1 3.903 1.673 -1.049 2 HA GLU 1 HA GLU 1 1.651 -0.072 -0.431 3 HB2 GLU 1 1HB GLU 1 2.785 0.870 -3.070 4 HB3 GLU 1 2HB GLU 1 1.379 -0.172 -2.906 5 HG2 GLU 1 1HG GLU 1 0.373 1.859 -3.145 6 HG3 GLU 1 2HG GLU 1 0.494 1.764 -1.389 7 H CYS 2 H CYS 2 3.500 -1.399 0.670 8 HA CYS 2 HA CYS 2 4.113 -3.583 -1.165 9 HB2 CYS 2 1HB CYS 2 6.438 -3.723 -0.088 10 HB3 CYS 2 2HB CYS 2 6.182 -2.468 -1.296 11 H LEU 3 H LEU 3 4.528 -5.595 -0.106 12 HA LEU 3 HA LEU 3 2.915 -6.043 2.158 13 HB2 LEU 3 1HB LEU 3 4.046 -8.309 2.156 14 HB3 LEU 3 2HB LEU 3 3.183 -7.846 0.690 15 HG LEU 3 HG LEU 3 5.790 -7.027 0.220 16 HD11 LEU 3 1HD1 LEU 3 6.275 -9.810 0.891 17 HD12 LEU 3 2HD1 LEU 3 5.974 -8.812 2.313 18 HD13 LEU 3 3HD1 LEU 3 7.265 -8.382 1.192 19 HD21 LEU 3 3HD2 LEU 3 5.548 -9.521 -0.960 20 HD22 LEU 3 1HD2 LEU 3 5.041 -7.978 -1.648 21 HD23 LEU 3 2HD2 LEU 3 3.882 -8.973 -0.767 22 H GLU 4 H GLU 4 3.558 -4.783 3.886 23 HA GLU 4 HA GLU 4 6.284 -5.025 4.880 24 HB2 GLU 4 1HB GLU 4 3.930 -3.328 5.693 25 HB3 GLU 4 2HB GLU 4 5.407 -3.399 6.644 26 HG2 GLU 4 1HG GLU 4 6.687 -2.439 4.914 27 HG3 GLU 4 2HG GLU 4 5.396 -2.664 3.734 28 H ILE 5 H ILE 5 3.805 -4.568 7.208 29 HA ILE 5 HA ILE 5 4.575 -7.046 8.527 30 HB ILE 5 HB ILE 5 4.449 -4.890 9.788 31 HG12 ILE 5 1HG1 ILE 5 2.721 -6.052 11.544 32 HG13 ILE 5 2HG1 ILE 5 3.132 -7.426 10.524 33 HG21 ILE 5 1HG2 ILE 5 1.564 -5.020 10.157 34 HG22 ILE 5 2HG2 ILE 5 2.609 -3.629 9.873 35 HG23 ILE 5 3HG2 ILE 5 2.034 -4.592 8.512 36 HD11 ILE 5 3HD1 ILE 5 5.356 -7.380 11.139 37 HD12 ILE 5 1HD1 ILE 5 5.285 -5.695 11.654 38 HD13 ILE 5 2HD1 ILE 5 4.530 -6.951 12.636 39 H PHE 6 H PHE 6 3.221 -8.734 8.976 40 HA PHE 6 HA PHE 6 1.513 -10.198 8.636 41 HB2 PHE 6 1HB PHE 6 -0.160 -7.679 8.717 42 HB3 PHE 6 2HB PHE 6 -0.766 -9.320 8.916 43 HD1 PHE 6 HD1 PHE 6 0.456 -10.693 10.826 44 HD2 PHE 6 HD2 PHE 6 0.258 -6.447 10.604 45 HE1 PHE 6 HE1 PHE 6 0.864 -10.551 13.248 46 HE2 PHE 6 HE2 PHE 6 0.666 -6.298 13.025 47 HZ PHE 6 HZ PHE 6 0.971 -8.351 14.351 48 H LYS 7 H LYS 7 2.748 -8.612 6.311 49 HA LYS 7 HA LYS 7 0.619 -8.971 4.326 50 HB2 LYS 7 1HB LYS 7 3.330 -7.675 3.990 51 HB3 LYS 7 2HB LYS 7 2.017 -7.669 2.819 52 HG2 LYS 7 1HG LYS 7 2.280 -6.157 5.376 53 HG3 LYS 7 2HG LYS 7 1.837 -5.581 3.767 54 HD2 LYS 7 1HD LYS 7 -0.283 -6.939 4.007 55 HD3 LYS 7 2HD LYS 7 0.153 -7.157 5.703 56 HE2 LYS 7 1HE LYS 7 -1.207 -5.307 5.826 57 HE3 LYS 7 2HE LYS 7 0.379 -4.554 5.675 58 HZ1 LYS 7 3HZ LYS 7 -0.315 -3.537 3.853 59 HZ2 LYS 7 1HZ LYS 7 -1.841 -4.253 4.005 60 HZ3 LYS 7 2HZ LYS 7 -0.632 -5.021 3.105 61 H ALA 8 H ALA 8 0.644 -10.603 2.912 62 HA ALA 8 HA ALA 8 2.462 -12.746 3.179 63 HB1 ALA 8 1HB ALA 8 1.336 -13.340 0.849 64 HB2 ALA 8 2HB ALA 8 0.475 -13.510 2.379 65 HB3 ALA 8 3HB ALA 8 0.207 -12.089 1.369 66 H CYS 9 H CYS 9 4.250 -13.325 2.053 67 HA CYS 9 HA CYS 9 5.286 -11.354 0.132 68 HB2 CYS 9 1HB CYS 9 7.513 -12.304 0.651 69 HB3 CYS 9 2HB CYS 9 6.708 -11.663 2.080 70 H ASN 10 H ASN 10 5.685 -11.907 -1.925 71 HA ASN 10 HA ASN 10 4.805 -14.478 -2.864 72 HB2 ASN 10 1HB ASN 10 5.484 -13.535 -5.117 73 HB3 ASN 10 2HB ASN 10 4.257 -12.619 -4.248 74 HD21 ASN 10 2HD2 ASN 10 4.657 -10.669 -5.172 75 HD22 ASN 10 1HD2 ASN 10 6.125 -9.785 -4.948 76 HA PRO 11 HA PRO 11 8.655 -16.591 -2.982 77 HB2 PRO 11 1HB PRO 11 8.249 -18.229 -5.108 78 HB3 PRO 11 2HB PRO 11 7.456 -18.468 -3.547 79 HG2 PRO 11 1HG PRO 11 6.389 -17.196 -6.038 80 HG3 PRO 11 2HG PRO 11 5.593 -18.329 -4.931 81 HD2 PRO 11 1HD PRO 11 5.135 -15.661 -4.864 82 HD3 PRO 11 2HD PRO 11 5.080 -16.676 -3.408 83 H SER 12 H SER 12 7.610 -14.584 -5.540 84 HA SER 12 HA SER 12 9.663 -14.970 -7.419 85 HB2 SER 12 1HB SER 12 7.455 -13.598 -7.597 86 HB3 SER 12 2HB SER 12 8.421 -12.275 -6.944 87 HG SER 12 HG SER 12 8.272 -12.692 -9.375 88 H ASN 13 H ASN 13 9.363 -12.550 -4.821 89 HA ASN 13 HA ASN 13 12.278 -12.156 -4.981 90 HB2 ASN 13 1HB ASN 13 11.639 -9.934 -3.754 91 HB3 ASN 13 2HB ASN 13 11.427 -10.060 -5.498 92 HD21 ASN 13 2HD2 ASN 13 9.878 -9.756 -2.444 93 HD22 ASN 13 1HD2 ASN 13 8.269 -9.543 -3.036 94 H ASP 14 H ASP 14 9.506 -12.480 -2.825 95 HA ASP 14 HA ASP 14 9.324 -13.165 -0.663 96 HB2 ASP 14 1HB ASP 14 11.709 -14.504 -1.678 97 HB3 ASP 14 2HB ASP 14 11.771 -14.248 0.064 98 H GLN 15 H GLN 15 11.866 -11.100 -1.640 99 HA GLN 15 HA GLN 15 12.868 -10.393 0.924 100 HB2 GLN 15 1HB GLN 15 13.067 -9.253 -1.828 101 HB3 GLN 15 2HB GLN 15 13.538 -8.246 -0.466 102 HG2 GLN 15 1HG GLN 15 15.064 -10.107 0.249 103 HG3 GLN 15 2HG GLN 15 14.711 -10.884 -1.293 104 HE21 GLN 15 2HE2 GLN 15 17.043 -9.326 0.136 105 HE22 GLN 15 1HE2 GLN 15 17.689 -8.384 -1.159 106 H CYS 16 H CYS 16 11.547 -9.600 2.435 107 HA CYS 16 HA CYS 16 9.167 -8.198 1.971 108 HB2 CYS 16 1HB CYS 16 10.296 -9.328 4.153 109 HB3 CYS 16 2HB CYS 16 10.597 -7.629 4.500 110 H CYS 17 H CYS 17 8.631 -6.001 2.222 111 HA CYS 17 HA CYS 17 10.216 -4.159 0.936 112 HB2 CYS 17 1HB CYS 17 7.704 -4.084 1.774 113 HB3 CYS 17 2HB CYS 17 8.414 -3.179 3.107 114 H LYS 18 H LYS 18 11.508 -2.412 1.610 115 HA LYS 18 HA LYS 18 13.032 -2.968 4.022 116 HB2 LYS 18 1HB LYS 18 13.437 -1.183 1.641 117 HB3 LYS 18 2HB LYS 18 14.405 -0.969 3.094 118 HG2 LYS 18 1HG LYS 18 15.766 -2.362 1.921 119 HG3 LYS 18 2HG LYS 18 14.805 -3.557 2.795 120 HD2 LYS 18 1HD LYS 18 14.827 -4.321 0.578 121 HD3 LYS 18 2HD LYS 18 13.256 -3.536 0.760 122 HE2 LYS 18 1HE LYS 18 14.207 -2.867 -1.338 123 HE3 LYS 18 2HE LYS 18 14.232 -1.484 -0.245 124 HZ1 LYS 18 3HZ LYS 18 16.628 -3.020 -0.067 125 HZ2 LYS 18 1HZ LYS 18 16.431 -1.368 -0.380 126 HZ3 LYS 18 2HZ LYS 18 16.356 -2.484 -1.648 127 H SER 19 H SER 19 10.476 -2.134 4.626 128 HA SER 19 HA SER 19 10.835 0.652 5.509 129 HB2 SER 19 1HB SER 19 8.308 -0.963 5.099 130 HB3 SER 19 2HB SER 19 8.346 0.656 5.797 131 HG SER 19 HG SER 19 7.928 0.561 3.489 132 H SER 20 H SER 20 11.135 -2.429 6.597 133 HA SER 20 HA SER 20 11.406 -1.728 9.293 134 HB2 SER 20 1HB SER 20 8.723 -2.012 8.617 135 HB3 SER 20 2HB SER 20 9.139 -3.558 9.356 136 HG SER 20 HG SER 20 9.830 -1.091 10.550 137 H LYS 21 H LYS 21 12.167 -3.445 10.576 138 HA LYS 21 HA LYS 21 13.454 -5.524 9.124 139 HB2 LYS 21 1HB LYS 21 13.108 -5.227 12.114 140 HB3 LYS 21 2HB LYS 21 14.265 -6.276 11.305 141 HG2 LYS 21 1HG LYS 21 15.264 -4.210 10.282 142 HG3 LYS 21 2HG LYS 21 14.230 -3.271 11.361 143 HD2 LYS 21 1HD LYS 21 15.257 -4.662 13.251 144 HD3 LYS 21 2HD LYS 21 16.476 -5.139 12.066 145 HE2 LYS 21 1HE LYS 21 17.169 -2.877 11.763 146 HE3 LYS 21 2HE LYS 21 15.805 -2.271 12.701 147 HZ1 LYS 21 3HZ LYS 21 17.482 -2.193 14.235 148 HZ2 LYS 21 1HZ LYS 21 18.271 -3.564 13.632 149 HZ3 LYS 21 2HZ LYS 21 16.864 -3.735 14.554 150 H LEU 22 H LEU 22 11.699 -6.622 8.113 151 HA LEU 22 HA LEU 22 10.272 -8.444 9.935 152 HB2 LEU 22 1HB LEU 22 9.247 -7.352 7.320 153 HB3 LEU 22 2HB LEU 22 8.391 -8.448 8.403 154 HG LEU 22 HG LEU 22 9.206 -5.672 9.229 155 HD11 LEU 22 1HD1 LEU 22 7.553 -6.051 7.153 156 HD12 LEU 22 2HD1 LEU 22 7.367 -4.738 8.315 157 HD13 LEU 22 3HD1 LEU 22 6.402 -6.205 8.481 158 HD21 LEU 22 3HD2 LEU 22 7.315 -6.024 10.826 159 HD22 LEU 22 1HD2 LEU 22 8.694 -7.096 11.074 160 HD23 LEU 22 2HD2 LEU 22 7.240 -7.700 10.278 161 H VAL 23 H VAL 23 9.943 -10.575 9.210 162 HA VAL 23 HA VAL 23 11.334 -11.368 6.755 163 HB VAL 23 HB VAL 23 12.276 -13.355 8.021 164 HG11 VAL 23 1HG1 VAL 23 14.158 -12.207 7.773 165 HG12 VAL 23 2HG1 VAL 23 13.241 -10.700 7.722 166 HG13 VAL 23 3HG1 VAL 23 13.822 -11.329 9.264 167 HG21 VAL 23 3HG2 VAL 23 11.814 -11.600 10.427 168 HG22 VAL 23 1HG2 VAL 23 10.827 -13.006 10.028 169 HG23 VAL 23 2HG2 VAL 23 12.541 -13.206 10.393 170 H CYS 24 H CYS 24 10.551 -13.228 5.779 171 HA CYS 24 HA CYS 24 8.263 -14.549 7.062 172 HB2 CYS 24 1HB CYS 24 6.946 -14.434 5.052 173 HB3 CYS 24 2HB CYS 24 7.465 -12.801 5.458 174 H SER 25 H SER 25 11.232 -14.993 6.035 175 HA SER 25 HA SER 25 11.247 -17.004 4.128 176 HB2 SER 25 1HB SER 25 13.327 -16.041 4.811 177 HB3 SER 25 2HB SER 25 13.072 -16.523 6.488 178 HG SER 25 HG SER 25 14.438 -18.018 5.634 179 H ARG 26 H ARG 26 11.841 -17.731 7.555 180 HA ARG 26 HA ARG 26 10.599 -20.340 7.182 181 HB2 ARG 26 1HB ARG 26 11.509 -20.809 9.455 182 HB3 ARG 26 2HB ARG 26 12.738 -20.352 8.283 183 HG2 ARG 26 1HG ARG 26 12.761 -18.082 9.196 184 HG3 ARG 26 2HG ARG 26 11.540 -18.554 10.380 185 HD2 ARG 26 1HD ARG 26 13.098 -19.385 11.729 186 HD3 ARG 26 2HD ARG 26 13.725 -20.410 10.438 187 HE ARG 26 HE ARG 26 14.799 -17.893 11.338 188 HH11 ARG 26 1HH1 ARG 26 14.635 -20.186 8.724 189 HH12 ARG 26 2HH1 ARG 26 16.126 -19.673 8.007 190 HH21 ARG 26 1HH2 ARG 26 16.764 -17.209 10.404 191 HH22 ARG 26 2HH2 ARG 26 17.337 -17.980 8.964 192 H LYS 27 H LYS 27 9.882 -17.270 8.518 193 HA LYS 27 HA LYS 27 8.023 -18.062 10.509 194 HB2 LYS 27 1HB LYS 27 8.762 -15.538 9.141 195 HB3 LYS 27 2HB LYS 27 7.155 -15.597 9.852 196 HG2 LYS 27 1HG LYS 27 8.487 -14.698 11.531 197 HG3 LYS 27 2HG LYS 27 8.327 -16.397 11.981 198 HD2 LYS 27 1HD LYS 27 10.514 -16.847 10.921 199 HD3 LYS 27 2HD LYS 27 10.674 -15.124 10.573 200 HE2 LYS 27 1HE LYS 27 10.341 -16.286 13.335 201 HE3 LYS 27 2HE LYS 27 11.893 -15.865 12.613 202 HZ1 LYS 27 3HZ LYS 27 10.502 -14.195 14.119 203 HZ2 LYS 27 1HZ LYS 27 9.857 -13.787 12.609 204 HZ3 LYS 27 2HZ LYS 27 11.523 -13.670 12.877 205 H THR 28 H THR 28 5.688 -16.822 10.107 206 HA THR 28 HA THR 28 4.227 -18.603 8.522 207 HB THR 28 HB THR 28 2.476 -16.581 8.689 208 HG1 THR 28 HG1 THR 28 4.403 -15.359 9.670 209 HG21 THR 28 3HG2 THR 28 1.713 -18.350 9.861 210 HG22 THR 28 1HG2 THR 28 2.340 -17.470 11.254 211 HG23 THR 28 2HG2 THR 28 3.308 -18.741 10.504 212 H ARG 29 H ARG 29 2.621 -17.746 6.796 213 HA ARG 29 HA ARG 29 4.077 -17.078 4.504 214 HB2 ARG 29 1HB ARG 29 1.171 -17.210 5.182 215 HB3 ARG 29 2HB ARG 29 1.648 -16.459 3.665 216 HG2 ARG 29 1HG ARG 29 2.845 -18.525 3.051 217 HG3 ARG 29 2HG ARG 29 2.269 -19.270 4.544 218 HD2 ARG 29 1HD ARG 29 0.513 -18.176 2.349 219 HD3 ARG 29 2HD ARG 29 0.899 -19.879 2.588 220 HE ARG 29 HE ARG 29 -0.149 -19.041 4.977 221 HH11 ARG 29 1HH1 ARG 29 -1.223 -19.110 1.666 222 HH12 ARG 29 2HH1 ARG 29 -2.898 -19.279 2.076 223 HH21 ARG 29 1HH2 ARG 29 -2.351 -19.263 5.530 224 HH22 ARG 29 2HH2 ARG 29 -3.539 -19.365 4.274 225 H TRP 30 H TRP 30 2.806 -15.097 6.989 226 HA TRP 30 HA TRP 30 3.047 -12.691 5.320 227 HB2 TRP 30 1HB TRP 30 1.877 -11.545 7.204 228 HB3 TRP 30 2HB TRP 30 0.930 -12.835 6.469 229 HD1 TRP 30 HD1 TRP 30 2.663 -11.871 9.719 230 HE1 TRP 30 HE1 TRP 30 1.951 -13.519 11.564 231 HE3 TRP 30 HE3 TRP 30 0.162 -15.278 6.843 232 HZ2 TRP 30 HZ2 TRP 30 0.520 -15.943 11.772 233 HZ3 TRP 30 HZ3 TRP 30 -0.848 -17.234 7.942 234 HH2 TRP 30 HH2 TRP 30 -0.672 -17.558 10.355 235 H CYS 31 H CYS 31 4.452 -11.051 5.827 236 HA CYS 31 HA CYS 31 6.848 -11.703 7.119 237 HB2 CYS 31 1HB CYS 31 5.652 -9.276 5.936 238 HB3 CYS 31 2HB CYS 31 6.896 -8.986 7.148 239 H LYS 32 H LYS 32 7.467 -11.668 9.180 240 HA LYS 32 HA LYS 32 5.839 -10.157 11.113 241 HB2 LYS 32 1HB LYS 32 6.973 -12.940 11.431 242 HB3 LYS 32 2HB LYS 32 6.288 -12.000 12.750 243 HG2 LYS 32 1HG LYS 32 4.187 -11.864 11.258 244 HG3 LYS 32 2HG LYS 32 4.914 -13.218 10.391 245 HD2 LYS 32 1HD LYS 32 3.670 -14.358 11.937 246 HD3 LYS 32 2HD LYS 32 5.183 -14.188 12.830 247 HE2 LYS 32 1HE LYS 32 3.114 -12.058 13.075 248 HE3 LYS 32 2HE LYS 32 2.874 -13.579 13.934 249 HZ1 LYS 32 3HZ LYS 32 4.197 -12.782 15.504 250 HZ2 LYS 32 1HZ LYS 32 4.584 -11.416 14.583 251 HZ3 LYS 32 2HZ LYS 32 5.489 -12.835 14.412 252 H TYR 33 H TYR 33 6.938 -9.325 12.925 253 HA TYR 33 HA TYR 33 9.605 -8.492 12.404 254 HB2 TYR 33 1HB TYR 33 9.443 -7.524 14.738 255 HB3 TYR 33 2HB TYR 33 8.207 -6.986 13.606 256 HD1 TYR 33 HD1 TYR 33 8.759 -9.639 16.180 257 HD2 TYR 33 HD2 TYR 33 6.008 -6.986 14.311 258 HE1 TYR 33 HE1 TYR 33 7.014 -10.345 17.763 259 HE2 TYR 33 HE2 TYR 33 4.255 -7.683 15.889 260 HH TYR 33 HH TYR 33 4.737 -10.338 18.116 261 H GLN 34 H GLN 34 11.503 -8.954 13.569 262 HA GLN 34 HA GLN 34 11.549 -11.659 14.680 263 HB2 GLN 34 1HB GLN 34 14.038 -11.416 14.437 264 HB3 GLN 34 2HB GLN 34 13.138 -11.337 12.929 265 HG2 GLN 34 1HG GLN 34 13.543 -9.091 12.644 266 HG3 GLN 34 2HG GLN 34 13.825 -8.817 14.362 267 HE21 GLN 34 2HE2 GLN 34 15.339 -8.593 11.613 268 HE22 GLN 34 1HE2 GLN 34 16.930 -9.114 12.038 269 H ILE 35 H ILE 35 12.706 -12.127 16.625 270 HA ILE 35 HA ILE 35 12.758 -9.850 18.494 271 HB ILE 35 HB ILE 35 12.315 -12.772 19.117 272 HG12 ILE 35 1HG1 ILE 35 10.346 -10.509 19.422 273 HG13 ILE 35 2HG1 ILE 35 10.446 -11.471 17.952 274 HG21 ILE 35 1HG2 ILE 35 13.461 -11.714 20.938 275 HG22 ILE 35 2HG2 ILE 35 12.361 -10.338 20.891 276 HG23 ILE 35 3HG2 ILE 35 11.769 -11.922 21.391 277 HD11 ILE 35 3HD1 ILE 35 9.834 -13.451 19.126 278 HD12 ILE 35 1HD1 ILE 35 9.948 -12.627 20.681 279 HD13 ILE 35 2HD1 ILE 35 8.677 -12.186 19.539
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