NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8898 | 1n0z | 5667 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 13.111 -10.084 3.512 2 2H GLY 1 2H GLY 1 14.750 -9.870 3.884 3 3H GLY 1 3H GLY 1 14.241 -11.273 3.086 4 1HA GLY 1 2HA GLY 1 14.504 -10.319 1.124 5 2HA GLY 1 1HA GLY 1 13.405 -9.032 1.607 6 H SER 2 H SER 2 15.496 -8.462 -0.058 7 HA SER 2 HA SER 2 17.809 -7.590 1.374 8 1HB SER 2 2HB SER 2 17.610 -6.228 -1.107 9 2HB SER 2 1HB SER 2 18.614 -7.625 -0.712 10 HG SER 2 HG SER 2 16.866 -7.708 -2.485 11 H MET 3 H MET 3 18.550 -5.375 1.489 12 HA MET 3 HA MET 3 18.396 -3.205 2.092 13 1HB MET 3 2HB MET 3 16.971 -3.333 -0.216 14 2HB MET 3 1HB MET 3 15.752 -2.699 0.882 15 1HG MET 3 2HG MET 3 18.094 -1.250 1.394 16 2HG MET 3 1HG MET 3 17.958 -1.366 -0.358 17 1HE MET 3 1HE MET 3 17.841 0.792 -0.851 18 2HE MET 3 2HE MET 3 16.276 0.682 -1.656 19 3HE MET 3 3HE MET 3 16.580 1.972 -0.493 20 H SER 4 H SER 4 18.156 -3.811 4.255 21 HA SER 4 HA SER 4 15.703 -4.307 5.535 22 1HB SER 4 2HB SER 4 17.664 -3.049 7.259 23 2HB SER 4 1HB SER 4 17.079 -4.714 7.263 24 HG SER 4 HG SER 4 19.415 -3.714 6.319 25 H THR 5 H THR 5 14.083 -2.881 5.325 26 HA THR 5 HA THR 5 14.637 -0.077 6.034 27 HB THR 5 HB THR 5 12.249 -0.696 4.376 28 HG1 THR 5 1HG THR 5 14.528 -1.660 3.595 29 1HG2 THR 5 1HG2 THR 5 14.308 1.517 4.356 30 2HG2 THR 5 2HG2 THR 5 12.708 1.585 5.095 31 3HG2 THR 5 3HG2 THR 5 12.863 1.459 3.342 32 H LYS 6 H LYS 6 13.523 0.696 7.728 33 HA LYS 6 HA LYS 6 11.621 -0.949 9.107 34 1HB LYS 6 2HB LYS 6 13.186 0.612 10.252 35 2HB LYS 6 1HB LYS 6 12.319 1.966 9.538 36 1HG LYS 6 2HG LYS 6 10.431 0.309 10.849 37 2HG LYS 6 1HG LYS 6 11.779 0.595 11.955 38 1HD LYS 6 2HD LYS 6 11.492 2.918 11.882 39 2HD LYS 6 1HD LYS 6 10.512 2.840 10.415 40 1HE LYS 6 2HE LYS 6 8.692 2.851 11.687 41 2HE LYS 6 1HE LYS 6 9.178 1.285 12.334 42 1HZ LYS 6 1HZ LYS 6 8.956 2.596 14.207 43 2HZ LYS 6 2HZ LYS 6 9.624 3.972 13.465 44 3HZ LYS 6 3HZ LYS 6 10.625 2.675 13.907 45 H ASN 7 H ASN 7 11.531 1.696 6.858 46 HA ASN 7 HA ASN 7 8.622 1.857 6.971 47 1HB ASN 7 2HB ASN 7 10.016 3.938 6.739 48 2HB ASN 7 1HB ASN 7 10.538 3.357 5.162 49 1HD2 ASN 7 1HD2 ASN 7 9.608 4.693 3.761 50 2HD2 ASN 7 2HD2 ASN 7 7.908 5.032 3.684 51 H PHE 8 H PHE 8 7.478 1.765 4.796 52 HA PHE 8 HA PHE 8 8.332 -0.656 3.453 53 1HB PHE 8 2HB PHE 8 5.866 0.623 2.511 54 2HB PHE 8 1HB PHE 8 6.133 -1.027 3.058 55 HD1 PHE 8 1HD PHE 8 4.938 2.265 3.933 56 HD2 PHE 8 2HD PHE 8 6.026 -1.546 5.484 57 HE1 PHE 8 1HE PHE 8 3.741 2.777 6.020 58 HE2 PHE 8 2HE PHE 8 4.830 -1.040 7.574 59 HZ PHE 8 HZ PHE 8 3.688 1.123 7.843 60 H ARG 9 H ARG 9 7.198 -0.276 0.994 61 HA ARG 9 HA ARG 9 9.071 1.598 -0.234 62 1HB ARG 9 2HB ARG 9 7.254 -0.474 -1.484 63 2HB ARG 9 1HB ARG 9 8.390 0.535 -2.369 64 1HG ARG 9 2HG ARG 9 9.294 -1.269 -0.154 65 2HG ARG 9 1HG ARG 9 9.088 -1.855 -1.805 66 1HD ARG 9 2HD ARG 9 10.748 -0.401 -2.637 67 2HD ARG 9 1HD ARG 9 10.759 0.558 -1.156 68 HE ARG 9 HE ARG 9 11.957 -2.096 -1.529 69 1HH1 ARG 9 2HH1 ARG 9 11.518 0.800 0.406 70 2HH1 ARG 9 1HH1 ARG 9 12.671 0.315 1.609 71 1HH2 ARG 9 2HH2 ARG 9 13.510 -2.705 0.042 72 2HH2 ARG 9 1HH2 ARG 9 13.814 -1.656 1.397 73 H VAL 10 H VAL 10 7.315 3.006 1.103 74 HA VAL 10 HA VAL 10 5.718 4.355 -0.876 75 HB VAL 10 HB VAL 10 4.420 2.308 0.290 76 1HG1 VAL 10 1HG1 VAL 10 3.016 3.036 2.107 77 2HG1 VAL 10 2HG1 VAL 10 4.709 3.218 2.561 78 3HG1 VAL 10 3HG1 VAL 10 3.767 4.632 2.091 79 1HG2 VAL 10 1HG2 VAL 10 2.334 3.435 -0.285 80 2HG2 VAL 10 2HG2 VAL 10 3.187 4.976 -0.363 81 3HG2 VAL 10 3HG2 VAL 10 3.573 3.695 -1.513 82 H SER 11 H SER 11 4.717 6.363 0.089 83 HA SER 11 HA SER 11 6.587 7.419 2.077 84 1HB SER 11 2HB SER 11 4.704 9.282 0.791 85 2HB SER 11 1HB SER 11 6.452 9.401 0.998 86 HG SER 11 HG SER 11 5.030 7.902 -0.968 87 H ASP 12 H ASP 12 4.986 9.637 2.862 88 HA ASP 12 HA ASP 12 3.683 8.430 5.089 89 1HB ASP 12 2HB ASP 12 4.702 10.421 5.650 90 2HB ASP 12 1HB ASP 12 4.216 11.221 4.164 91 H GLY 13 H GLY 13 2.493 10.376 2.356 92 1HA GLY 13 1HA GLY 13 -0.223 10.207 3.272 93 2HA GLY 13 2HA GLY 13 0.318 10.942 1.780 94 H ASP 14 H ASP 14 1.571 8.868 0.597 95 HA ASP 14 HA ASP 14 -0.619 7.310 -0.383 96 1HB ASP 14 2HB ASP 14 1.388 6.146 -1.637 97 2HB ASP 14 1HB ASP 14 0.860 7.757 -2.101 98 H TRP 15 H TRP 15 -0.902 5.063 -0.189 99 HA TRP 15 HA TRP 15 0.617 3.837 1.995 100 1HB TRP 15 2HB TRP 15 -1.445 2.978 2.989 101 2HB TRP 15 1HB TRP 15 -1.461 4.734 2.937 102 HD1 TRP 15 HD TRP 15 -2.975 5.787 0.777 103 HE1 TRP 15 1HE TRP 15 -5.250 4.946 -0.086 104 HE3 TRP 15 3HE TRP 15 -2.889 1.035 2.690 105 HZ2 TRP 15 2HZ TRP 15 -6.806 2.588 0.024 106 HZ3 TRP 15 3HZ TRP 15 -4.793 -0.445 2.279 107 HH2 TRP 15 HH TRP 15 -6.720 0.312 0.952 108 H ILE 16 H ILE 16 0.096 1.461 2.188 109 HA ILE 16 HA ILE 16 -0.411 0.255 -0.443 110 HB ILE 16 HB ILE 16 1.038 -1.639 0.377 111 1HG1 ILE 16 2HG1 ILE 16 2.599 0.037 2.166 112 1HG2 ILE 16 1HG2 ILE 16 1.947 1.036 -0.448 113 2HG2 ILE 16 2HG2 ILE 16 3.195 -0.056 0.155 114 3HG2 ILE 16 3HG2 ILE 16 2.191 -0.535 -1.212 115 1HD1 ILE 16 1HD1 ILE 16 2.474 -1.904 3.634 116 2HD1 ILE 16 2HD1 ILE 16 1.308 -2.651 2.542 117 3HD1 ILE 16 3HD1 ILE 16 2.957 -2.350 1.998 118 H CYS 17 H CYS 17 -1.461 -1.830 -0.358 119 HA CYS 17 HA CYS 17 -3.752 -2.020 1.039 120 1HB CYS 17 2HB CYS 17 -2.445 -3.637 -0.741 121 2HB CYS 17 1HB CYS 17 -2.467 -4.647 0.698 122 HA PRO 18 HA PRO 18 -2.919 -2.698 5.278 123 1HB PRO 18 2HB PRO 18 -5.343 -4.405 5.327 124 2HB PRO 18 1HB PRO 18 -4.979 -2.942 6.249 125 1HG PRO 18 2HG PRO 18 -6.735 -2.866 4.254 126 2HG PRO 18 1HG PRO 18 -5.589 -1.532 4.506 127 1HD PRO 18 2HD PRO 18 -5.456 -3.778 2.520 128 2HD PRO 18 1HD PRO 18 -5.132 -2.050 2.281 129 H ASP 19 H ASP 19 -3.425 -5.348 3.105 130 HA ASP 19 HA ASP 19 -2.197 -7.236 4.994 131 1HB ASP 19 2HB ASP 19 -4.410 -7.741 3.683 132 2HB ASP 19 1HB ASP 19 -3.321 -8.064 2.339 133 H LYS 20 H LYS 20 -0.444 -8.543 4.279 134 HA LYS 20 HA LYS 20 1.348 -6.938 2.644 135 1HB LYS 20 2HB LYS 20 1.719 -9.126 4.646 136 2HB LYS 20 1HB LYS 20 3.004 -8.782 3.495 137 1HG LYS 20 2HG LYS 20 3.701 -7.306 5.018 138 2HG LYS 20 1HG LYS 20 2.398 -6.286 4.404 139 1HD LYS 20 2HD LYS 20 1.368 -8.143 6.337 140 2HD LYS 20 1HD LYS 20 2.738 -7.263 7.016 141 1HE LYS 20 2HE LYS 20 1.618 -5.311 7.068 142 2HE LYS 20 1HE LYS 20 0.838 -5.604 5.514 143 1HZ LYS 20 1HZ LYS 20 -0.341 -7.422 7.137 144 2HZ LYS 20 2HZ LYS 20 -0.995 -5.907 6.736 145 3HZ LYS 20 3HZ LYS 20 -0.133 -6.103 8.183 146 H LYS 21 H LYS 21 -0.698 -9.519 2.165 147 HA LYS 21 HA LYS 21 0.772 -11.088 0.320 148 1HB LYS 21 2HB LYS 21 -2.209 -10.567 0.410 149 2HB LYS 21 1HB LYS 21 -1.423 -11.864 -0.479 150 1HG LYS 21 2HG LYS 21 -0.818 -12.989 1.499 151 2HG LYS 21 1HG LYS 21 -1.184 -11.582 2.502 152 1HD LYS 21 2HD LYS 21 -3.572 -11.804 1.842 153 2HD LYS 21 1HD LYS 21 -3.159 -13.287 0.982 154 1HE LYS 21 2HE LYS 21 -4.060 -13.825 3.156 155 2HE LYS 21 1HE LYS 21 -2.350 -14.255 3.101 156 1HZ LYS 21 1HZ LYS 21 -1.777 -12.469 4.443 157 2HZ LYS 21 2HZ LYS 21 -3.215 -13.025 5.147 158 3HZ LYS 21 3HZ LYS 21 -3.233 -11.643 4.160 159 H CYS 22 H CYS 22 -1.244 -8.244 0.017 160 HA CYS 22 HA CYS 22 -0.794 -8.037 -2.848 161 1HB CYS 22 2HB CYS 22 -3.019 -7.590 -2.052 162 2HB CYS 22 1HB CYS 22 -2.426 -6.476 -0.842 163 H GLY 23 H GLY 23 -0.837 -5.481 -0.415 164 1HA GLY 23 1HA GLY 23 0.722 -3.874 0.146 165 2HA GLY 23 2HA GLY 23 1.956 -4.903 -0.573 166 H ASN 24 H ASN 24 -0.863 -3.910 -2.317 167 HA ASN 24 HA ASN 24 0.573 -2.808 -4.472 168 1HB ASN 24 2HB ASN 24 -1.645 -3.593 -4.892 169 2HB ASN 24 1HB ASN 24 -2.317 -2.602 -3.608 170 1HD2 ASN 24 1HD2 ASN 24 -2.909 -0.551 -4.025 171 2HD2 ASN 24 2HD2 ASN 24 -2.796 0.197 -5.579 172 H VAL 25 H VAL 25 1.225 -0.763 -4.933 173 HA VAL 25 HA VAL 25 1.066 1.229 -2.858 174 HB VAL 25 HB VAL 25 2.079 2.723 -4.720 175 1HG1 VAL 25 1HG1 VAL 25 3.385 1.968 -2.876 176 2HG1 VAL 25 2HG1 VAL 25 3.496 0.341 -3.552 177 3HG1 VAL 25 3HG1 VAL 25 4.320 1.683 -4.344 178 1HG2 VAL 25 1HG2 VAL 25 1.664 1.539 -6.694 179 2HG2 VAL 25 2HG2 VAL 25 3.374 1.252 -6.372 180 3HG2 VAL 25 3HG2 VAL 25 2.183 0.007 -5.991 181 H ASN 26 H ASN 26 -0.876 2.048 -2.498 182 HA ASN 26 HA ASN 26 -2.804 2.333 -4.617 183 1HB ASN 26 2HB ASN 26 -3.056 3.345 -1.781 184 2HB ASN 26 1HB ASN 26 -4.356 2.995 -2.916 185 1HD2 ASN 26 1HD2 ASN 26 -5.245 1.032 -2.866 186 2HD2 ASN 26 2HD2 ASN 26 -4.609 -0.336 -2.017 187 H PHE 27 H PHE 27 -3.858 4.274 -5.180 188 HA PHE 27 HA PHE 27 -2.356 6.389 -6.003 189 1HB PHE 27 2HB PHE 27 -4.704 5.934 -6.647 190 2HB PHE 27 1HB PHE 27 -5.239 6.495 -5.073 191 HD1 PHE 27 1HD PHE 27 -5.215 8.850 -4.521 192 HD2 PHE 27 2HD PHE 27 -4.025 7.475 -8.364 193 HE1 PHE 27 1HE PHE 27 -5.443 11.131 -5.396 194 HE2 PHE 27 2HE PHE 27 -4.248 9.760 -9.251 195 HZ PHE 27 HZ PHE 27 -4.962 11.592 -7.760 196 H ALA 28 H ALA 28 -4.691 7.106 -3.478 197 HA ALA 28 HA ALA 28 -3.025 7.762 -1.357 198 1HB ALA 28 1HB ALA 28 -3.880 10.355 -2.522 199 2HB ALA 28 2HB ALA 28 -2.485 9.971 -1.512 200 3HB ALA 28 3HB ALA 28 -2.463 9.579 -3.231 201 H ARG 29 H ARG 29 -5.615 9.598 -2.935 202 HA ARG 29 HA ARG 29 -7.359 9.396 -0.667 203 1HB ARG 29 2HB ARG 29 -9.040 10.431 -2.250 204 2HB ARG 29 1HB ARG 29 -7.578 11.370 -1.990 205 1HG ARG 29 2HG ARG 29 -6.745 10.879 -4.113 206 2HG ARG 29 1HG ARG 29 -7.864 9.535 -4.340 207 1HD ARG 29 2HD ARG 29 -8.231 11.937 -5.453 208 2HD ARG 29 1HD ARG 29 -9.566 10.887 -4.982 209 HE ARG 29 HE ARG 29 -9.921 12.245 -3.069 210 1HH1 ARG 29 2HH1 ARG 29 -7.506 13.519 -5.277 211 2HH1 ARG 29 1HH1 ARG 29 -7.539 15.118 -4.596 212 1HH2 ARG 29 2HH2 ARG 29 -9.983 14.362 -2.192 213 2HH2 ARG 29 1HH2 ARG 29 -8.995 15.610 -2.893 214 H ARG 30 H ARG 30 -6.738 6.930 -1.051 215 HA ARG 30 HA ARG 30 -8.898 5.672 -2.605 216 1HB ARG 30 2HB ARG 30 -6.121 4.766 -1.897 217 2HB ARG 30 1HB ARG 30 -7.372 3.591 -2.273 218 1HG ARG 30 2HG ARG 30 -6.616 5.837 -4.114 219 2HG ARG 30 1HG ARG 30 -5.881 4.233 -4.174 220 1HD ARG 30 2HD ARG 30 -7.932 3.213 -4.758 221 2HD ARG 30 1HD ARG 30 -8.854 4.660 -4.345 222 HE ARG 30 HE ARG 30 -7.363 4.157 -6.789 223 1HH1 ARG 30 2HH1 ARG 30 -9.070 6.464 -4.777 224 2HH1 ARG 30 1HH1 ARG 30 -9.233 7.654 -6.038 225 1HH2 ARG 30 2HH2 ARG 30 -7.559 5.729 -8.460 226 2HH2 ARG 30 1HH2 ARG 30 -8.376 7.231 -8.133 227 H THR 31 H THR 31 -10.545 5.196 -1.285 228 HA THR 31 HA THR 31 -10.041 4.422 1.462 229 HB THR 31 HB THR 31 -12.740 3.959 0.905 230 HG1 THR 31 1HG THR 31 -12.811 4.989 -1.014 231 1HG2 THR 31 1HG2 THR 31 -11.288 6.348 2.034 232 2HG2 THR 31 2HG2 THR 31 -12.006 5.004 2.922 233 3HG2 THR 31 3HG2 THR 31 -13.039 6.164 2.086 234 H SER 32 H SER 32 -10.110 2.981 -1.517 235 HA SER 32 HA SER 32 -10.078 0.338 -0.281 236 1HB SER 32 2HB SER 32 -11.400 0.715 -2.961 237 2HB SER 32 1HB SER 32 -11.541 -0.639 -1.841 238 HG SER 32 HG SER 32 -12.961 0.458 -0.640 239 H CYS 33 H CYS 33 -8.749 -1.163 -1.400 240 HA CYS 33 HA CYS 33 -6.405 -0.229 -2.502 241 1HB CYS 33 2HB CYS 33 -6.722 -2.496 -1.580 242 2HB CYS 33 1HB CYS 33 -7.680 -2.926 -2.990 243 H ASP 34 H ASP 34 -5.519 -0.289 -4.561 244 HA ASP 34 HA ASP 34 -7.361 0.457 -6.671 245 1HB ASP 34 2HB ASP 34 -4.415 0.640 -6.230 246 2HB ASP 34 1HB ASP 34 -4.984 0.581 -7.894 247 H ARG 35 H ARG 35 -5.666 -2.275 -5.555 248 HA ARG 35 HA ARG 35 -5.951 -3.655 -8.139 249 1HB ARG 35 2HB ARG 35 -3.934 -3.689 -6.119 250 2HB ARG 35 1HB ARG 35 -4.662 -5.287 -6.183 251 1HG ARG 35 2HG ARG 35 -4.199 -4.405 -8.846 252 2HG ARG 35 1HG ARG 35 -2.723 -4.172 -7.906 253 1HD ARG 35 2HD ARG 35 -2.399 -6.394 -7.620 254 2HD ARG 35 1HD ARG 35 -4.126 -6.731 -7.483 255 HE ARG 35 HE ARG 35 -2.533 -6.642 -9.923 256 1HH1 ARG 35 2HH1 ARG 35 -5.663 -7.078 -8.403 257 2HH1 ARG 35 1HH1 ARG 35 -6.442 -7.604 -9.870 258 1HH2 ARG 35 2HH2 ARG 35 -3.537 -7.364 -11.842 259 2HH2 ARG 35 1HH2 ARG 35 -5.227 -7.787 -11.818 260 H CYS 36 H CYS 36 -6.498 -4.135 -4.652 261 HA CYS 36 HA CYS 36 -8.187 -6.418 -5.089 262 1HB CYS 36 2HB CYS 36 -7.805 -4.802 -2.592 263 2HB CYS 36 1HB CYS 36 -8.510 -6.404 -2.689 264 H GLY 37 H GLY 37 -8.672 -3.106 -3.955 265 1HA GLY 37 1HA GLY 37 -10.676 -1.863 -4.044 266 2HA GLY 37 2HA GLY 37 -11.543 -3.335 -4.478 267 H ARG 38 H ARG 38 -9.312 -3.791 -2.012 268 HA ARG 38 HA ARG 38 -11.380 -4.179 -0.042 269 1HB ARG 38 2HB ARG 38 -8.693 -5.095 -0.463 270 2HB ARG 38 1HB ARG 38 -8.824 -4.420 1.158 271 1HG ARG 38 2HG ARG 38 -9.304 -6.699 1.355 272 2HG ARG 38 1HG ARG 38 -10.871 -5.885 1.420 273 1HD ARG 38 2HD ARG 38 -10.985 -6.285 -1.101 274 2HD ARG 38 1HD ARG 38 -9.645 -7.405 -0.865 275 HE ARG 38 HE ARG 38 -11.056 -8.837 0.287 276 1HH1 ARG 38 2HH1 ARG 38 -12.720 -5.921 -0.673 277 2HH1 ARG 38 1HH1 ARG 38 -14.305 -6.552 -0.353 278 1HH2 ARG 38 2HH2 ARG 38 -13.142 -9.694 0.682 279 2HH2 ARG 38 1HH2 ARG 38 -14.545 -8.707 0.392 280 H GLU 39 H GLU 39 -11.520 -3.089 1.951 281 HA GLU 39 HA GLU 39 -11.279 -0.282 1.569 282 1HB GLU 39 2HB GLU 39 -12.081 -1.792 4.055 283 2HB GLU 39 1HB GLU 39 -12.393 -0.092 3.722 284 1HG GLU 39 2HG GLU 39 -13.441 -2.340 2.023 285 2HG GLU 39 1HG GLU 39 -14.334 -1.626 3.367 286 H LYS 40 H LYS 40 -10.069 1.221 2.557 287 HA LYS 40 HA LYS 40 -7.474 0.666 3.433 288 1HB LYS 40 2HB LYS 40 -8.390 2.861 2.546 289 2HB LYS 40 1HB LYS 40 -9.085 3.127 4.139 290 1HG LYS 40 2HG LYS 40 -6.690 2.822 5.014 291 2HG LYS 40 1HG LYS 40 -6.204 3.055 3.334 292 1HD LYS 40 2HD LYS 40 -8.130 5.047 4.168 293 2HD LYS 40 1HD LYS 40 -6.711 5.042 5.216 294 1HE LYS 40 2HE LYS 40 -5.317 5.088 3.101 295 2HE LYS 40 1HE LYS 40 -6.813 5.420 2.230 296 1HZ LYS 40 1HZ LYS 40 -6.191 7.109 4.535 297 2HZ LYS 40 2HZ LYS 40 -6.943 7.511 3.065 298 3HZ LYS 40 3HZ LYS 40 -5.256 7.334 3.139 299 H THR 41 H THR 41 -7.043 -0.525 5.184 300 HA THR 41 HA THR 41 -8.435 0.145 7.685 301 HB THR 41 HB THR 41 -7.852 -2.497 8.030 302 HG1 THR 41 1HG THR 41 -8.532 -2.082 5.281 303 1HG2 THR 41 1HG2 THR 41 -10.435 -2.206 6.757 304 2HG2 THR 41 2HG2 THR 41 -10.117 -0.894 7.893 305 3HG2 THR 41 3HG2 THR 41 -10.046 -2.572 8.438 306 H THR 42 H THR 42 -7.190 -0.746 9.618 307 HA THR 42 HA THR 42 -4.521 0.162 9.559 308 HB THR 42 HB THR 42 -5.473 -1.703 11.695 309 HG1 THR 42 1HG THR 42 -7.256 -0.525 11.791 310 1HG2 THR 42 1HG2 THR 42 -3.224 -0.430 11.620 311 2HG2 THR 42 2HG2 THR 42 -4.159 -0.408 13.115 312 3HG2 THR 42 3HG2 THR 42 -4.189 0.986 12.036 313 H GLY 43 H GLY 43 -5.707 -3.153 10.224 314 1HA GLY 43 1HA GLY 43 -4.943 -5.142 9.268 315 2HA GLY 43 2HA GLY 43 -3.673 -4.241 8.457 316 HA PRO 44 HA PRO 44 -2.108 -6.199 12.543 317 1HB PRO 44 2HB PRO 44 -1.990 -8.885 11.445 318 2HB PRO 44 1HB PRO 44 -2.784 -8.330 12.919 319 1HG PRO 44 2HG PRO 44 -4.146 -9.210 10.730 320 2HG PRO 44 1HG PRO 44 -4.797 -8.022 11.874 321 1HD PRO 44 2HD PRO 44 -3.551 -7.578 9.185 322 2HD PRO 44 1HD PRO 44 -4.972 -6.797 9.914 323 H ILE 45 H ILE 45 -0.023 -7.694 12.624 324 HA ILE 45 HA ILE 45 1.756 -6.613 10.600 325 HB ILE 45 HB ILE 45 2.436 -8.319 13.003 326 1HG1 ILE 45 2HG1 ILE 45 1.403 -6.246 13.732 327 1HG2 ILE 45 1HG2 ILE 45 4.520 -6.559 12.115 328 2HG2 ILE 45 2HG2 ILE 45 4.535 -8.313 12.293 329 3HG2 ILE 45 3HG2 ILE 45 3.985 -7.584 10.784 330 1HD1 ILE 45 1HD1 ILE 45 1.544 -4.731 11.968 331 2HD1 ILE 45 2HD1 ILE 45 2.614 -4.077 13.209 332 3HD1 ILE 45 3HD1 ILE 45 3.292 -4.928 11.822 Start of MODEL 2 1 1H GLY 1 1H GLY 1 7.886 13.185 -24.689 2 2H GLY 1 2H GLY 1 7.054 14.175 -23.585 3 3H GLY 1 3H GLY 1 6.329 13.756 -25.058 4 1HA GLY 1 2HA GLY 1 5.513 11.882 -24.248 5 2HA GLY 1 1HA GLY 1 7.099 11.426 -23.636 6 H SER 2 H SER 2 7.487 11.536 -21.516 7 HA SER 2 HA SER 2 7.133 11.732 -19.294 8 1HB SER 2 2HB SER 2 5.762 14.351 -19.876 9 2HB SER 2 1HB SER 2 6.752 13.914 -18.483 10 HG SER 2 HG SER 2 7.712 15.254 -20.281 11 H MET 3 H MET 3 5.298 10.044 -20.251 12 HA MET 3 HA MET 3 2.687 10.796 -19.238 13 1HB MET 3 2HB MET 3 3.042 9.181 -21.163 14 2HB MET 3 1HB MET 3 3.638 8.023 -19.980 15 1HG MET 3 2HG MET 3 1.094 9.118 -19.171 16 2HG MET 3 1HG MET 3 1.007 8.406 -20.782 17 1HE MET 3 1HE MET 3 -0.676 7.551 -18.438 18 2HE MET 3 2HE MET 3 -0.283 6.005 -17.691 19 3HE MET 3 3HE MET 3 0.451 7.489 -17.085 20 H SER 4 H SER 4 4.816 8.054 -18.447 21 HA SER 4 HA SER 4 4.009 8.119 -15.677 22 1HB SER 4 2HB SER 4 6.300 6.462 -16.119 23 2HB SER 4 1HB SER 4 4.634 5.962 -15.819 24 HG SER 4 HG SER 4 4.492 5.424 -17.840 25 H THR 5 H THR 5 6.866 8.787 -17.616 26 HA THR 5 HA THR 5 8.671 10.108 -17.334 27 HB THR 5 HB THR 5 7.598 11.513 -14.953 28 HG1 THR 5 1HG THR 5 5.931 10.889 -16.815 29 1HG2 THR 5 1HG2 THR 5 8.412 13.446 -16.110 30 2HG2 THR 5 2HG2 THR 5 8.590 12.535 -17.611 31 3HG2 THR 5 3HG2 THR 5 9.643 12.188 -16.241 32 H LYS 6 H LYS 6 7.901 10.299 -13.900 33 HA LYS 6 HA LYS 6 10.468 8.988 -13.356 34 1HB LYS 6 2HB LYS 6 8.947 11.172 -12.084 35 2HB LYS 6 1HB LYS 6 9.698 10.045 -10.964 36 1HG LYS 6 2HG LYS 6 11.668 11.010 -11.257 37 2HG LYS 6 1HG LYS 6 11.574 10.743 -13.000 38 1HD LYS 6 2HD LYS 6 11.336 12.927 -13.297 39 2HD LYS 6 1HD LYS 6 9.818 12.862 -12.400 40 1HE LYS 6 2HE LYS 6 11.583 12.849 -10.361 41 2HE LYS 6 1HE LYS 6 12.490 13.780 -11.553 42 1HZ LYS 6 1HZ LYS 6 9.777 14.391 -10.501 43 2HZ LYS 6 2HZ LYS 6 10.511 15.234 -11.777 44 3HZ LYS 6 3HZ LYS 6 11.202 15.273 -10.226 45 H ASN 7 H ASN 7 10.604 7.424 -11.664 46 HA ASN 7 HA ASN 7 8.374 5.651 -11.562 47 1HB ASN 7 2HB ASN 7 10.951 5.162 -11.314 48 2HB ASN 7 1HB ASN 7 10.628 5.436 -9.605 49 1HD2 ASN 7 1HD2 ASN 7 10.734 3.440 -8.766 50 2HD2 ASN 7 2HD2 ASN 7 9.763 2.096 -9.287 51 H PHE 8 H PHE 8 6.695 5.718 -10.251 52 HA PHE 8 HA PHE 8 6.465 7.820 -8.355 53 1HB PHE 8 2HB PHE 8 4.494 7.456 -9.535 54 2HB PHE 8 1HB PHE 8 4.646 5.707 -9.449 55 HD1 PHE 8 1HD PHE 8 3.320 4.548 -7.986 56 HD2 PHE 8 2HD PHE 8 4.099 8.660 -7.245 57 HE1 PHE 8 1HE PHE 8 1.745 4.497 -6.091 58 HE2 PHE 8 2HE PHE 8 2.525 8.623 -5.351 59 HZ PHE 8 HZ PHE 8 1.348 6.540 -4.772 60 H ARG 9 H ARG 9 7.461 7.642 -6.518 61 HA ARG 9 HA ARG 9 7.333 5.146 -4.992 62 1HB ARG 9 2HB ARG 9 8.876 7.708 -4.601 63 2HB ARG 9 1HB ARG 9 8.789 6.466 -3.360 64 1HG ARG 9 2HG ARG 9 10.639 5.662 -4.322 65 2HG ARG 9 1HG ARG 9 9.540 5.015 -5.542 66 1HD ARG 9 2HD ARG 9 10.741 6.178 -7.022 67 2HD ARG 9 1HD ARG 9 9.929 7.603 -6.377 68 HE ARG 9 HE ARG 9 12.653 6.702 -5.764 69 1HH1 ARG 9 2HH1 ARG 9 10.100 9.077 -5.357 70 2HH1 ARG 9 1HH1 ARG 9 11.153 10.284 -4.697 71 1HH2 ARG 9 2HH2 ARG 9 14.040 8.294 -4.880 72 2HH2 ARG 9 1HH2 ARG 9 13.390 9.848 -4.428 73 H VAL 10 H VAL 10 6.113 4.941 -3.160 74 HA VAL 10 HA VAL 10 3.930 6.678 -2.789 75 HB VAL 10 HB VAL 10 3.839 5.318 -0.521 76 1HG1 VAL 10 1HG1 VAL 10 2.147 4.363 -1.596 77 2HG1 VAL 10 2HG1 VAL 10 2.790 5.005 -3.109 78 3HG1 VAL 10 3HG1 VAL 10 3.261 3.395 -2.563 79 1HG2 VAL 10 1HG2 VAL 10 6.135 4.419 -0.806 80 2HG2 VAL 10 2HG2 VAL 10 4.909 3.165 -0.639 81 3HG2 VAL 10 3HG2 VAL 10 5.574 3.542 -2.228 82 H SER 11 H SER 11 3.640 8.361 -1.466 83 HA SER 11 HA SER 11 5.942 9.623 -0.352 84 1HB SER 11 2HB SER 11 3.199 10.574 0.333 85 2HB SER 11 1HB SER 11 4.621 11.494 -0.157 86 HG SER 11 HG SER 11 2.835 9.993 -1.773 87 H ASP 12 H ASP 12 5.526 10.701 1.945 88 HA ASP 12 HA ASP 12 5.968 8.593 3.768 89 1HB ASP 12 2HB ASP 12 6.846 11.013 3.806 90 2HB ASP 12 1HB ASP 12 5.311 11.410 4.577 91 H GLY 13 H GLY 13 3.203 10.719 3.200 92 1HA GLY 13 1HA GLY 13 1.681 9.420 5.329 93 2HA GLY 13 2HA GLY 13 1.157 10.779 4.348 94 H ASP 14 H ASP 14 2.455 8.492 2.338 95 HA ASP 14 HA ASP 14 -0.178 7.706 1.414 96 1HB ASP 14 2HB ASP 14 2.612 7.430 0.341 97 2HB ASP 14 1HB ASP 14 1.364 6.357 -0.266 98 H TRP 15 H TRP 15 0.104 5.226 0.473 99 HA TRP 15 HA TRP 15 1.130 3.419 2.465 100 1HB TRP 15 2HB TRP 15 -1.030 2.429 3.034 101 2HB TRP 15 1HB TRP 15 -1.051 4.143 3.442 102 HD1 TRP 15 HD TRP 15 -2.011 5.618 1.029 103 HE1 TRP 15 1HE TRP 15 -4.239 5.147 -0.157 104 HE3 TRP 15 3HE TRP 15 -2.801 0.874 2.729 105 HZ2 TRP 15 2HZ TRP 15 -6.097 3.005 -0.338 106 HZ3 TRP 15 3HZ TRP 15 -4.820 -0.311 2.010 107 HH2 TRP 15 HH TRP 15 -6.438 0.725 0.499 108 H ILE 16 H ILE 16 -0.224 1.147 1.707 109 HA ILE 16 HA ILE 16 -0.155 1.098 -1.217 110 HB ILE 16 HB ILE 16 0.809 -1.355 -0.756 111 1HG1 ILE 16 2HG1 ILE 16 2.544 0.097 1.164 112 1HG2 ILE 16 1HG2 ILE 16 3.022 -0.475 -1.357 113 2HG2 ILE 16 2HG2 ILE 16 1.736 0.277 -2.302 114 3HG2 ILE 16 3HG2 ILE 16 2.470 1.154 -0.959 115 1HD1 ILE 16 1HD1 ILE 16 1.626 -2.719 0.778 116 2HD1 ILE 16 2HD1 ILE 16 3.267 -2.071 0.795 117 3HD1 ILE 16 3HD1 ILE 16 2.355 -2.201 2.300 118 H CYS 17 H CYS 17 -0.521 -1.427 1.210 119 HA CYS 17 HA CYS 17 -3.402 -1.527 0.799 120 1HB CYS 17 2HB CYS 17 -2.305 -3.158 -0.773 121 2HB CYS 17 1HB CYS 17 -1.595 -3.958 0.621 122 HA PRO 18 HA PRO 18 -3.194 -2.168 5.217 123 1HB PRO 18 2HB PRO 18 -5.493 -3.998 5.074 124 2HB PRO 18 1HB PRO 18 -5.357 -2.433 5.879 125 1HG PRO 18 2HG PRO 18 -6.840 -2.735 3.666 126 2HG PRO 18 1HG PRO 18 -5.913 -1.251 3.973 127 1HD PRO 18 2HD PRO 18 -5.222 -3.574 2.202 128 2HD PRO 18 1HD PRO 18 -5.083 -1.839 1.876 129 H ASP 19 H ASP 19 -3.113 -4.681 2.935 130 HA ASP 19 HA ASP 19 -2.117 -6.623 4.909 131 1HB ASP 19 2HB ASP 19 -4.024 -7.081 3.097 132 2HB ASP 19 1HB ASP 19 -2.626 -7.395 2.073 133 H LYS 20 H LYS 20 -0.433 -8.147 3.707 134 HA LYS 20 HA LYS 20 1.552 -6.353 2.460 135 1HB LYS 20 2HB LYS 20 1.765 -8.164 4.766 136 2HB LYS 20 1HB LYS 20 3.066 -8.330 3.593 137 1HG LYS 20 2HG LYS 20 3.935 -6.733 4.979 138 2HG LYS 20 1HG LYS 20 3.151 -5.719 3.765 139 1HD LYS 20 2HD LYS 20 1.097 -5.957 5.422 140 2HD LYS 20 1HD LYS 20 2.385 -6.252 6.592 141 1HE LYS 20 2HE LYS 20 2.476 -3.894 4.741 142 2HE LYS 20 1HE LYS 20 1.564 -3.835 6.249 143 1HZ LYS 20 1HZ LYS 20 4.130 -3.174 6.059 144 2HZ LYS 20 2HZ LYS 20 4.294 -4.815 6.454 145 3HZ LYS 20 3HZ LYS 20 3.430 -3.779 7.483 146 H LYS 21 H LYS 21 -0.328 -9.115 2.137 147 HA LYS 21 HA LYS 21 1.437 -10.488 0.289 148 1HB LYS 21 2HB LYS 21 -0.439 -12.060 0.006 149 2HB LYS 21 1HB LYS 21 -0.043 -11.818 1.701 150 1HG LYS 21 2HG LYS 21 -1.936 -10.219 1.860 151 2HG LYS 21 1HG LYS 21 -2.366 -10.629 0.197 152 1HD LYS 21 2HD LYS 21 -2.515 -13.031 0.941 153 2HD LYS 21 1HD LYS 21 -2.350 -12.453 2.600 154 1HE LYS 21 2HE LYS 21 -4.397 -11.059 1.043 155 2HE LYS 21 1HE LYS 21 -4.710 -12.780 1.257 156 1HZ LYS 21 1HZ LYS 21 -4.460 -12.482 3.650 157 2HZ LYS 21 2HZ LYS 21 -5.691 -11.490 3.034 158 3HZ LYS 21 3HZ LYS 21 -4.186 -10.818 3.430 159 H CYS 22 H CYS 22 -0.373 -7.793 0.101 160 HA CYS 22 HA CYS 22 -1.009 -8.161 -2.745 161 1HB CYS 22 2HB CYS 22 -3.038 -7.964 -1.425 162 2HB CYS 22 1HB CYS 22 -2.425 -6.522 -0.631 163 H GLY 23 H GLY 23 -1.151 -5.173 -0.905 164 1HA GLY 23 1HA GLY 23 0.230 -3.330 -0.826 165 2HA GLY 23 2HA GLY 23 1.511 -4.321 -1.503 166 H ASN 24 H ASN 24 -1.630 -3.028 -2.606 167 HA ASN 24 HA ASN 24 -0.681 -2.665 -5.291 168 1HB ASN 24 2HB ASN 24 -3.035 -3.184 -4.732 169 2HB ASN 24 1HB ASN 24 -3.183 -1.602 -3.983 170 1HD2 ASN 24 1HD2 ASN 24 -4.064 -0.162 -5.178 171 2HD2 ASN 24 2HD2 ASN 24 -3.969 -0.070 -6.893 172 H VAL 25 H VAL 25 -0.674 -0.573 -6.392 173 HA VAL 25 HA VAL 25 0.714 1.411 -4.838 174 HB VAL 25 HB VAL 25 0.459 2.675 -7.154 175 1HG1 VAL 25 1HG1 VAL 25 2.463 1.457 -5.901 176 2HG1 VAL 25 2HG1 VAL 25 2.321 0.374 -7.284 177 3HG1 VAL 25 3HG1 VAL 25 2.623 2.093 -7.539 178 1HG2 VAL 25 1HG2 VAL 25 0.392 -0.158 -8.129 179 2HG2 VAL 25 2HG2 VAL 25 -1.096 0.761 -7.912 180 3HG2 VAL 25 3HG2 VAL 25 0.139 1.336 -9.032 181 H ASN 26 H ASN 26 -1.423 1.480 -3.525 182 HA ASN 26 HA ASN 26 -3.394 3.311 -4.647 183 1HB ASN 26 2HB ASN 26 -3.203 1.968 -1.937 184 2HB ASN 26 1HB ASN 26 -4.503 3.052 -2.408 185 1HD2 ASN 26 1HD2 ASN 26 -3.802 -0.002 -1.924 186 2HD2 ASN 26 2HD2 ASN 26 -4.880 -0.771 -3.034 187 H PHE 27 H PHE 27 -3.211 5.498 -4.355 188 HA PHE 27 HA PHE 27 -1.187 6.498 -2.580 189 1HB PHE 27 2HB PHE 27 -2.167 8.748 -3.450 190 2HB PHE 27 1HB PHE 27 -1.197 7.758 -4.523 191 HD1 PHE 27 1HD PHE 27 -4.526 9.064 -3.804 192 HD2 PHE 27 2HD PHE 27 -2.217 6.612 -6.404 193 HE1 PHE 27 1HE PHE 27 -6.344 9.121 -5.461 194 HE2 PHE 27 2HE PHE 27 -4.032 6.660 -8.065 195 HZ PHE 27 HZ PHE 27 -6.098 7.916 -7.594 196 H ALA 28 H ALA 28 -1.867 8.472 -1.278 197 HA ALA 28 HA ALA 28 -3.284 7.737 0.915 198 1HB ALA 28 1HB ALA 28 -1.827 9.873 0.330 199 2HB ALA 28 2HB ALA 28 -3.428 10.607 0.223 200 3HB ALA 28 3HB ALA 28 -2.916 9.821 1.716 201 H ARG 29 H ARG 29 -4.594 9.795 -1.714 202 HA ARG 29 HA ARG 29 -7.186 9.946 -0.601 203 1HB ARG 29 2HB ARG 29 -5.888 10.637 -3.173 204 2HB ARG 29 1HB ARG 29 -7.646 10.557 -3.135 205 1HG ARG 29 2HG ARG 29 -7.315 12.042 -0.988 206 2HG ARG 29 1HG ARG 29 -5.802 12.448 -1.809 207 1HD ARG 29 2HD ARG 29 -7.316 14.030 -2.588 208 2HD ARG 29 1HD ARG 29 -7.229 12.821 -3.868 209 HE ARG 29 HE ARG 29 -9.318 11.896 -2.569 210 1HH1 ARG 29 2HH1 ARG 29 -8.536 15.220 -3.340 211 2HH1 ARG 29 1HH1 ARG 29 -10.201 15.736 -3.357 212 1HH2 ARG 29 2HH2 ARG 29 -11.481 12.556 -2.582 213 2HH2 ARG 29 1HH2 ARG 29 -11.885 14.215 -2.925 214 H ARG 30 H ARG 30 -5.650 7.414 -2.231 215 HA ARG 30 HA ARG 30 -8.011 6.290 -3.437 216 1HB ARG 30 2HB ARG 30 -5.172 5.754 -3.433 217 2HB ARG 30 1HB ARG 30 -6.072 4.278 -3.115 218 1HG ARG 30 2HG ARG 30 -6.892 6.041 -5.364 219 2HG ARG 30 1HG ARG 30 -5.499 4.970 -5.547 220 1HD ARG 30 2HD ARG 30 -6.815 3.046 -5.133 221 2HD ARG 30 1HD ARG 30 -8.180 4.014 -4.581 222 HE ARG 30 HE ARG 30 -7.714 4.785 -7.192 223 1HH1 ARG 30 2HH1 ARG 30 -8.537 1.836 -5.491 224 2HH1 ARG 30 1HH1 ARG 30 -9.380 1.141 -6.849 225 1HH2 ARG 30 2HH2 ARG 30 -8.851 3.885 -8.968 226 2HH2 ARG 30 1HH2 ARG 30 -9.558 2.307 -8.817 227 H THR 31 H THR 31 -9.458 6.177 -1.695 228 HA THR 31 HA THR 31 -8.744 5.055 0.810 229 HB THR 31 HB THR 31 -11.504 4.965 0.687 230 HG1 THR 31 1HG THR 31 -11.691 5.920 -1.305 231 1HG2 THR 31 1HG2 THR 31 -11.102 6.264 2.455 232 2HG2 THR 31 2HG2 THR 31 -10.707 7.604 1.376 233 3HG2 THR 31 3HG2 THR 31 -9.441 6.499 1.916 234 H SER 32 H SER 32 -9.102 3.476 -2.035 235 HA SER 32 HA SER 32 -9.879 0.991 -0.717 236 1HB SER 32 2HB SER 32 -11.029 1.139 -3.385 237 2HB SER 32 1HB SER 32 -11.800 0.707 -1.858 238 HG SER 32 HG SER 32 -12.344 2.778 -1.509 239 H CYS 33 H CYS 33 -8.698 -0.721 -1.336 240 HA CYS 33 HA CYS 33 -6.582 -0.450 -3.209 241 1HB CYS 33 2HB CYS 33 -6.895 -2.124 -1.182 242 2HB CYS 33 1HB CYS 33 -7.586 -3.156 -2.424 243 H ASP 34 H ASP 34 -6.419 -1.086 -5.246 244 HA ASP 34 HA ASP 34 -8.933 -1.771 -6.603 245 1HB ASP 34 2HB ASP 34 -7.079 0.152 -7.195 246 2HB ASP 34 1HB ASP 34 -6.596 -1.156 -8.272 247 H ARG 35 H ARG 35 -6.513 -3.379 -5.271 248 HA ARG 35 HA ARG 35 -6.035 -5.202 -7.526 249 1HB ARG 35 2HB ARG 35 -4.312 -4.044 -5.726 250 2HB ARG 35 1HB ARG 35 -4.469 -5.698 -5.151 251 1HG ARG 35 2HG ARG 35 -3.901 -6.490 -7.423 252 2HG ARG 35 1HG ARG 35 -3.624 -4.811 -7.898 253 1HD ARG 35 2HD ARG 35 -1.646 -4.730 -6.867 254 2HD ARG 35 1HD ARG 35 -2.277 -5.558 -5.447 255 HE ARG 35 HE ARG 35 -1.152 -6.833 -7.840 256 1HH1 ARG 35 2HH1 ARG 35 -2.344 -7.075 -4.547 257 2HH1 ARG 35 1HH1 ARG 35 -1.675 -8.659 -4.301 258 1HH2 ARG 35 2HH2 ARG 35 -0.275 -8.921 -7.505 259 2HH2 ARG 35 1HH2 ARG 35 -0.481 -9.694 -5.957 260 H CYS 36 H CYS 36 -6.567 -5.391 -3.992 261 HA CYS 36 HA CYS 36 -7.160 -8.223 -4.320 262 1HB CYS 36 2HB CYS 36 -7.015 -8.272 -1.843 263 2HB CYS 36 1HB CYS 36 -5.557 -7.651 -2.608 264 H GLY 37 H GLY 37 -8.567 -5.513 -2.500 265 1HA GLY 37 1HA GLY 37 -11.218 -6.719 -2.951 266 2HA GLY 37 2HA GLY 37 -10.714 -6.247 -1.337 267 H ARG 38 H ARG 38 -10.285 -3.936 -0.961 268 HA ARG 38 HA ARG 38 -11.317 -1.938 -2.608 269 1HB ARG 38 2HB ARG 38 -13.359 -3.579 -1.966 270 2HB ARG 38 1HB ARG 38 -13.419 -2.476 -0.598 271 1HG ARG 38 2HG ARG 38 -14.850 -1.461 -2.077 272 2HG ARG 38 1HG ARG 38 -13.335 -0.627 -2.428 273 1HD ARG 38 2HD ARG 38 -14.343 -3.019 -3.962 274 2HD ARG 38 1HD ARG 38 -14.620 -1.349 -4.439 275 HE ARG 38 HE ARG 38 -11.931 -2.533 -4.199 276 1HH1 ARG 38 2HH1 ARG 38 -14.252 -0.520 -5.893 277 2HH1 ARG 38 1HH1 ARG 38 -13.123 -0.056 -7.132 278 1HH2 ARG 38 2HH2 ARG 38 -10.458 -1.896 -5.807 279 2HH2 ARG 38 1HH2 ARG 38 -10.968 -0.833 -7.088 280 H GLU 39 H GLU 39 -12.968 -1.168 -0.031 281 HA GLU 39 HA GLU 39 -11.478 0.946 0.756 282 1HB GLU 39 2HB GLU 39 -13.744 -0.506 1.849 283 2HB GLU 39 1HB GLU 39 -12.793 0.281 3.098 284 1HG GLU 39 2HG GLU 39 -14.736 1.575 2.056 285 2HG GLU 39 1HG GLU 39 -13.190 2.402 2.242 286 H LYS 40 H LYS 40 -10.123 1.512 2.357 287 HA LYS 40 HA LYS 40 -8.088 -0.310 3.041 288 1HB LYS 40 2HB LYS 40 -7.915 2.207 2.760 289 2HB LYS 40 1HB LYS 40 -8.618 2.346 4.365 290 1HG LYS 40 2HG LYS 40 -6.746 1.196 5.339 291 2HG LYS 40 1HG LYS 40 -6.069 0.875 3.741 292 1HD LYS 40 2HD LYS 40 -5.179 2.924 3.583 293 2HD LYS 40 1HD LYS 40 -6.630 3.700 4.222 294 1HE LYS 40 2HE LYS 40 -4.869 2.159 6.067 295 2HE LYS 40 1HE LYS 40 -4.369 3.769 5.549 296 1HZ LYS 40 1HZ LYS 40 -6.544 4.595 6.341 297 2HZ LYS 40 2HZ LYS 40 -5.577 3.955 7.579 298 3HZ LYS 40 3HZ LYS 40 -6.878 3.051 6.966 299 H THR 41 H THR 41 -8.524 -1.973 4.336 300 HA THR 41 HA THR 41 -10.377 -1.932 6.474 301 HB THR 41 HB THR 41 -8.745 -4.097 6.958 302 HG1 THR 41 1HG THR 41 -8.181 -4.886 4.882 303 1HG2 THR 41 1HG2 THR 41 -10.700 -4.503 4.802 304 2HG2 THR 41 2HG2 THR 41 -11.329 -3.655 6.216 305 3HG2 THR 41 3HG2 THR 41 -10.602 -5.252 6.397 306 H THR 42 H THR 42 -9.796 -0.249 7.869 307 HA THR 42 HA THR 42 -7.475 -0.833 9.564 308 HB THR 42 HB THR 42 -7.901 2.024 9.350 309 HG1 THR 42 1HG THR 42 -8.352 0.964 7.097 310 1HG2 THR 42 1HG2 THR 42 -5.912 0.703 10.249 311 2HG2 THR 42 2HG2 THR 42 -5.551 2.091 9.223 312 3HG2 THR 42 3HG2 THR 42 -5.456 0.459 8.563 313 H GLY 43 H GLY 43 -8.548 -1.453 11.364 314 1HA GLY 43 1HA GLY 43 -10.390 0.546 12.525 315 2HA GLY 43 2HA GLY 43 -10.801 -1.161 12.527 316 HA PRO 44 HA PRO 44 -7.428 -0.774 15.820 317 1HB PRO 44 2HB PRO 44 -5.861 1.380 16.001 318 2HB PRO 44 1HB PRO 44 -5.584 0.160 14.755 319 1HG PRO 44 2HG PRO 44 -6.781 2.868 14.516 320 2HG PRO 44 1HG PRO 44 -5.812 1.958 13.347 321 1HD PRO 44 2HD PRO 44 -8.630 2.200 13.397 322 2HD PRO 44 1HD PRO 44 -7.676 1.106 12.377 323 H ILE 45 H ILE 45 -6.885 0.633 17.893 324 HA ILE 45 HA ILE 45 -9.217 2.341 18.460 325 HB ILE 45 HB ILE 45 -8.519 1.681 20.942 326 1HG1 ILE 45 2HG1 ILE 45 -8.174 -1.029 19.850 327 1HG2 ILE 45 1HG2 ILE 45 -10.604 1.147 19.268 328 2HG2 ILE 45 2HG2 ILE 45 -10.092 -0.471 19.748 329 3HG2 ILE 45 3HG2 ILE 45 -10.532 0.717 20.976 330 1HD1 ILE 45 1HD1 ILE 45 -7.789 -1.157 22.058 331 2HD1 ILE 45 2HD1 ILE 45 -6.156 -0.695 21.583 332 3HD1 ILE 45 3HD1 ILE 45 -7.278 0.526 22.179 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -2.148 3.759 -15.693 2 2H GLY 1 2H GLY 1 -1.892 3.144 -17.253 3 3H GLY 1 3H GLY 1 -1.326 4.691 -16.846 4 1HA GLY 1 2HA GLY 1 -0.326 2.696 -15.070 5 2HA GLY 1 1HA GLY 1 0.099 2.359 -16.742 6 H SER 2 H SER 2 1.821 3.124 -14.531 7 HA SER 2 HA SER 2 2.627 5.856 -15.147 8 1HB SER 2 2HB SER 2 4.392 4.470 -13.323 9 2HB SER 2 1HB SER 2 3.357 5.866 -13.022 10 HG SER 2 HG SER 2 2.992 3.258 -12.323 11 H MET 3 H MET 3 3.909 6.168 -16.851 12 HA MET 3 HA MET 3 6.342 4.606 -17.099 13 1HB MET 3 2HB MET 3 4.567 3.432 -18.483 14 2HB MET 3 1HB MET 3 4.535 4.864 -19.502 15 1HG MET 3 2HG MET 3 7.230 3.897 -19.101 16 2HG MET 3 1HG MET 3 6.180 2.658 -19.784 17 1HE MET 3 1HE MET 3 5.549 2.348 -21.750 18 2HE MET 3 2HE MET 3 5.290 3.479 -23.080 19 3HE MET 3 3HE MET 3 6.878 2.751 -22.837 20 H SER 4 H SER 4 7.538 6.410 -16.709 21 HA SER 4 HA SER 4 8.709 8.289 -17.179 22 1HB SER 4 2HB SER 4 7.831 7.932 -20.046 23 2HB SER 4 1HB SER 4 9.324 8.661 -19.448 24 HG SER 4 HG SER 4 9.781 6.569 -20.118 25 H THR 5 H THR 5 6.055 8.679 -16.312 26 HA THR 5 HA THR 5 5.071 10.964 -17.813 27 HB THR 5 HB THR 5 3.849 10.342 -15.195 28 HG1 THR 5 1HG THR 5 3.408 8.530 -17.341 29 1HG2 THR 5 1HG2 THR 5 2.689 11.868 -16.579 30 2HG2 THR 5 2HG2 THR 5 1.800 10.352 -16.721 31 3HG2 THR 5 3HG2 THR 5 2.899 10.855 -18.006 32 H LYS 6 H LYS 6 4.184 11.860 -14.890 33 HA LYS 6 HA LYS 6 6.521 13.584 -14.517 34 1HB LYS 6 2HB LYS 6 3.741 14.071 -14.490 35 2HB LYS 6 1HB LYS 6 4.294 14.268 -12.832 36 1HG LYS 6 2HG LYS 6 4.646 16.379 -13.569 37 2HG LYS 6 1HG LYS 6 6.191 15.673 -14.042 38 1HD LYS 6 2HD LYS 6 5.418 15.362 -16.300 39 2HD LYS 6 1HD LYS 6 3.791 15.878 -15.856 40 1HE LYS 6 2HE LYS 6 4.385 17.939 -16.443 41 2HE LYS 6 1HE LYS 6 5.436 17.960 -15.026 42 1HZ LYS 6 1HZ LYS 6 7.197 16.984 -16.451 43 2HZ LYS 6 2HZ LYS 6 6.721 18.542 -16.927 44 3HZ LYS 6 3HZ LYS 6 6.181 17.190 -17.796 45 H ASN 7 H ASN 7 7.357 13.963 -12.412 46 HA ASN 7 HA ASN 7 7.306 11.653 -10.694 47 1HB ASN 7 2HB ASN 7 9.418 12.575 -10.648 48 2HB ASN 7 1HB ASN 7 8.818 14.223 -10.785 49 1HD2 ASN 7 1HD2 ASN 7 9.057 15.409 -9.055 50 2HD2 ASN 7 2HD2 ASN 7 9.171 14.845 -7.420 51 H PHE 8 H PHE 8 5.693 11.304 -9.332 52 HA PHE 8 HA PHE 8 4.291 13.617 -8.202 53 1HB PHE 8 2HB PHE 8 3.245 11.521 -9.613 54 2HB PHE 8 1HB PHE 8 3.001 10.996 -7.948 55 HD1 PHE 8 1HD PHE 8 2.863 14.332 -9.562 56 HD2 PHE 8 2HD PHE 8 0.801 11.325 -7.389 57 HE1 PHE 8 1HE PHE 8 0.900 15.812 -9.394 58 HE2 PHE 8 2HE PHE 8 -1.170 12.791 -7.212 59 HZ PHE 8 HZ PHE 8 -1.123 15.037 -8.214 60 H ARG 9 H ARG 9 5.636 13.947 -6.431 61 HA ARG 9 HA ARG 9 5.977 11.864 -4.470 62 1HB ARG 9 2HB ARG 9 6.958 14.545 -4.862 63 2HB ARG 9 1HB ARG 9 6.287 14.399 -3.245 64 1HG ARG 9 2HG ARG 9 8.544 12.847 -4.468 65 2HG ARG 9 1HG ARG 9 8.562 13.877 -3.037 66 1HD ARG 9 2HD ARG 9 8.434 11.903 -1.949 67 2HD ARG 9 1HD ARG 9 6.712 12.071 -2.288 68 HE ARG 9 HE ARG 9 8.073 10.757 -4.423 69 1HH1 ARG 9 2HH1 ARG 9 6.806 10.232 -1.191 70 2HH1 ARG 9 1HH1 ARG 9 6.561 8.526 -1.431 71 1HH2 ARG 9 2HH2 ARG 9 7.698 8.519 -4.751 72 2HH2 ARG 9 1HH2 ARG 9 7.014 7.565 -3.461 73 H VAL 10 H VAL 10 4.204 11.101 -3.548 74 HA VAL 10 HA VAL 10 1.774 12.531 -3.338 75 HB VAL 10 HB VAL 10 2.341 10.148 -1.613 76 1HG1 VAL 10 1HG1 VAL 10 0.154 10.848 -1.335 77 2HG1 VAL 10 2HG1 VAL 10 -0.021 11.314 -3.028 78 3HG1 VAL 10 3HG1 VAL 10 0.000 9.608 -2.580 79 1HG2 VAL 10 1HG2 VAL 10 1.581 8.847 -3.771 80 2HG2 VAL 10 2HG2 VAL 10 2.325 10.220 -4.594 81 3HG2 VAL 10 3HG2 VAL 10 3.282 9.227 -3.495 82 H SER 11 H SER 11 1.974 14.408 -2.164 83 HA SER 11 HA SER 11 3.302 14.510 0.351 84 1HB SER 11 2HB SER 11 1.592 16.741 0.129 85 2HB SER 11 1HB SER 11 3.316 16.674 -0.235 86 HG SER 11 HG SER 11 2.894 16.641 -2.309 87 H ASP 12 H ASP 12 0.282 13.511 -0.621 88 HA ASP 12 HA ASP 12 -1.140 14.183 1.795 89 1HB ASP 12 2HB ASP 12 -2.182 13.953 -0.531 90 2HB ASP 12 1HB ASP 12 -2.050 12.212 -0.299 91 H GLY 13 H GLY 13 0.566 11.444 0.463 92 1HA GLY 13 1HA GLY 13 1.599 9.981 2.160 93 2HA GLY 13 2HA GLY 13 0.050 10.001 2.977 94 H ASP 14 H ASP 14 1.923 8.639 0.461 95 HA ASP 14 HA ASP 14 -0.260 7.106 -0.652 96 1HB ASP 14 2HB ASP 14 1.220 6.342 -2.258 97 2HB ASP 14 1HB ASP 14 1.931 7.896 -1.851 98 H TRP 15 H TRP 15 -0.556 4.898 -0.456 99 HA TRP 15 HA TRP 15 0.900 3.561 1.692 100 1HB TRP 15 2HB TRP 15 -1.171 2.755 2.708 101 2HB TRP 15 1HB TRP 15 -1.134 4.514 2.712 102 HD1 TRP 15 HD TRP 15 -2.510 5.579 0.413 103 HE1 TRP 15 1HE TRP 15 -4.863 4.894 -0.385 104 HE3 TRP 15 3HE TRP 15 -2.819 0.993 2.643 105 HZ2 TRP 15 2HZ TRP 15 -6.598 2.695 -0.123 106 HZ3 TRP 15 3HZ TRP 15 -4.855 -0.336 2.311 107 HH2 TRP 15 HH TRP 15 -6.704 0.496 0.955 108 H ILE 16 H ILE 16 -0.100 1.187 1.791 109 HA ILE 16 HA ILE 16 0.023 0.242 -0.978 110 HB ILE 16 HB ILE 16 0.940 -1.888 0.125 111 1HG1 ILE 16 2HG1 ILE 16 2.130 -0.300 2.275 112 1HG2 ILE 16 1HG2 ILE 16 3.205 -0.480 0.496 113 2HG2 ILE 16 2HG2 ILE 16 2.553 -0.881 -1.094 114 3HG2 ILE 16 3HG2 ILE 16 2.238 0.706 -0.387 115 1HD1 ILE 16 1HD1 ILE 16 1.976 -2.219 3.531 116 2HD1 ILE 16 2HD1 ILE 16 0.535 -2.783 2.685 117 3HD1 ILE 16 3HD1 ILE 16 2.109 -2.861 1.893 118 H CYS 17 H CYS 17 -0.570 -2.161 1.367 119 HA CYS 17 HA CYS 17 -3.458 -2.025 0.950 120 1HB CYS 17 2HB CYS 17 -2.152 -3.607 -0.664 121 2HB CYS 17 1HB CYS 17 -2.007 -4.656 0.729 122 HA PRO 18 HA PRO 18 -3.421 -2.371 5.303 123 1HB PRO 18 2HB PRO 18 -5.974 -3.838 5.159 124 2HB PRO 18 1HB PRO 18 -5.619 -2.272 5.895 125 1HG PRO 18 2HG PRO 18 -7.035 -2.460 3.632 126 2HG PRO 18 1HG PRO 18 -5.897 -1.126 3.905 127 1HD PRO 18 2HD PRO 18 -5.560 -3.596 2.244 128 2HD PRO 18 1HD PRO 18 -5.063 -1.929 1.896 129 H ASP 19 H ASP 19 -4.045 -5.231 3.429 130 HA ASP 19 HA ASP 19 -2.625 -6.862 5.364 131 1HB ASP 19 2HB ASP 19 -5.270 -6.878 5.577 132 2HB ASP 19 1HB ASP 19 -5.140 -7.979 4.214 133 H LYS 20 H LYS 20 -2.432 -9.185 4.266 134 HA LYS 20 HA LYS 20 -1.940 -10.535 2.578 135 1HB LYS 20 2HB LYS 20 -3.180 -8.355 0.929 136 2HB LYS 20 1HB LYS 20 -2.604 -9.873 0.263 137 1HG LYS 20 2HG LYS 20 -4.719 -10.542 0.543 138 2HG LYS 20 1HG LYS 20 -4.264 -10.738 2.236 139 1HD LYS 20 2HD LYS 20 -6.185 -9.454 2.399 140 2HD LYS 20 1HD LYS 20 -4.915 -8.229 2.435 141 1HE LYS 20 2HE LYS 20 -6.439 -9.059 -0.035 142 2HE LYS 20 1HE LYS 20 -6.825 -7.651 0.951 143 1HZ LYS 20 1HZ LYS 20 -4.170 -8.038 -0.295 144 2HZ LYS 20 2HZ LYS 20 -4.811 -6.609 0.348 145 3HZ LYS 20 3HZ LYS 20 -5.435 -7.252 -1.097 146 H LYS 21 H LYS 21 -0.252 -10.866 1.286 147 HA LYS 21 HA LYS 21 1.862 -8.927 1.272 148 1HB LYS 21 2HB LYS 21 3.076 -10.628 -0.126 149 2HB LYS 21 1HB LYS 21 2.534 -11.195 1.444 150 1HG LYS 21 2HG LYS 21 0.942 -12.589 0.550 151 2HG LYS 21 1HG LYS 21 0.820 -11.661 -0.947 152 1HD LYS 21 2HD LYS 21 3.355 -13.081 -0.224 153 2HD LYS 21 1HD LYS 21 2.025 -13.945 -0.996 154 1HE LYS 21 2HE LYS 21 2.675 -13.178 -2.970 155 2HE LYS 21 1HE LYS 21 2.414 -11.527 -2.412 156 1HZ LYS 21 1HZ LYS 21 4.693 -12.009 -3.248 157 2HZ LYS 21 2HZ LYS 21 4.919 -13.041 -1.923 158 3HZ LYS 21 3HZ LYS 21 4.650 -11.385 -1.671 159 H CYS 22 H CYS 22 -0.439 -7.971 0.043 160 HA CYS 22 HA CYS 22 -0.110 -7.865 -2.804 161 1HB CYS 22 2HB CYS 22 -2.320 -7.550 -1.903 162 2HB CYS 22 1HB CYS 22 -1.766 -6.308 -0.808 163 H GLY 23 H GLY 23 -0.263 -5.129 -0.612 164 1HA GLY 23 1HA GLY 23 1.163 -3.353 -0.267 165 2HA GLY 23 2HA GLY 23 2.440 -4.305 -1.013 166 H ASN 24 H ASN 24 -0.640 -3.472 -2.463 167 HA ASN 24 HA ASN 24 0.612 -2.475 -4.832 168 1HB ASN 24 2HB ASN 24 -1.530 -3.514 -5.071 169 2HB ASN 24 1HB ASN 24 -2.255 -2.471 -3.859 170 1HD2 ASN 24 1HD2 ASN 24 -2.811 -0.351 -4.419 171 2HD2 ASN 24 2HD2 ASN 24 -2.926 0.152 -6.068 172 H VAL 25 H VAL 25 1.164 -0.432 -5.384 173 HA VAL 25 HA VAL 25 1.137 1.562 -3.302 174 HB VAL 25 HB VAL 25 2.132 3.000 -5.246 175 1HG1 VAL 25 1HG1 VAL 25 3.439 2.355 -3.375 176 2HG1 VAL 25 2HG1 VAL 25 3.503 0.678 -3.916 177 3HG1 VAL 25 3HG1 VAL 25 4.363 1.929 -4.815 178 1HG2 VAL 25 1HG2 VAL 25 3.374 1.550 -6.868 179 2HG2 VAL 25 2HG2 VAL 25 2.361 0.204 -6.342 180 3HG2 VAL 25 3HG2 VAL 25 1.628 1.609 -7.114 181 H ASN 26 H ASN 26 -0.792 2.369 -2.884 182 HA ASN 26 HA ASN 26 -2.673 2.983 -5.005 183 1HB ASN 26 2HB ASN 26 -2.764 2.942 -2.008 184 2HB ASN 26 1HB ASN 26 -4.008 3.809 -2.904 185 1HD2 ASN 26 1HD2 ASN 26 -3.372 0.974 -1.451 186 2HD2 ASN 26 2HD2 ASN 26 -4.373 -0.079 -2.382 187 H PHE 27 H PHE 27 -3.551 5.033 -5.385 188 HA PHE 27 HA PHE 27 -1.860 7.160 -5.673 189 1HB PHE 27 2HB PHE 27 -4.115 6.899 -6.710 190 2HB PHE 27 1HB PHE 27 -4.841 7.346 -5.177 191 HD1 PHE 27 1HD PHE 27 -5.666 9.462 -5.115 192 HD2 PHE 27 2HD PHE 27 -2.139 8.705 -7.377 193 HE1 PHE 27 1HE PHE 27 -5.565 11.838 -5.748 194 HE2 PHE 27 2HE PHE 27 -2.034 11.078 -8.016 195 HZ PHE 27 HZ PHE 27 -3.748 12.650 -7.202 196 H ALA 28 H ALA 28 -4.552 7.569 -3.451 197 HA ALA 28 HA ALA 28 -3.191 7.928 -1.053 198 1HB ALA 28 1HB ALA 28 -2.693 10.084 -2.750 199 2HB ALA 28 2HB ALA 28 -3.962 10.653 -1.666 200 3HB ALA 28 3HB ALA 28 -2.445 10.039 -1.002 201 H ARG 29 H ARG 29 -5.683 9.667 -2.898 202 HA ARG 29 HA ARG 29 -7.564 9.430 -0.722 203 1HB ARG 29 2HB ARG 29 -7.593 10.753 -3.408 204 2HB ARG 29 1HB ARG 29 -9.102 10.507 -2.538 205 1HG ARG 29 2HG ARG 29 -6.789 12.260 -1.862 206 2HG ARG 29 1HG ARG 29 -8.517 12.620 -1.860 207 1HD ARG 29 2HD ARG 29 -8.827 11.777 0.231 208 2HD ARG 29 1HD ARG 29 -7.561 10.564 0.049 209 HE ARG 29 HE ARG 29 -5.939 12.197 0.619 210 1HH1 ARG 29 2HH1 ARG 29 -9.242 13.348 0.855 211 2HH1 ARG 29 1HH1 ARG 29 -8.832 14.714 1.848 212 1HH2 ARG 29 2HH2 ARG 29 -5.392 13.976 1.917 213 2HH2 ARG 29 1HH2 ARG 29 -6.638 15.063 2.470 214 H ARG 30 H ARG 30 -6.897 6.970 -1.346 215 HA ARG 30 HA ARG 30 -9.318 5.919 -2.645 216 1HB ARG 30 2HB ARG 30 -6.475 5.087 -2.824 217 2HB ARG 30 1HB ARG 30 -7.668 3.797 -2.728 218 1HG ARG 30 2HG ARG 30 -7.804 6.034 -4.730 219 2HG ARG 30 1HG ARG 30 -7.004 4.491 -5.043 220 1HD ARG 30 2HD ARG 30 -9.577 3.918 -4.003 221 2HD ARG 30 1HD ARG 30 -9.774 5.153 -5.247 222 HE ARG 30 HE ARG 30 -8.306 3.510 -6.608 223 1HH1 ARG 30 2HH1 ARG 30 -10.825 2.642 -4.322 224 2HH1 ARG 30 1HH1 ARG 30 -11.179 1.125 -5.100 225 1HH2 ARG 30 2HH2 ARG 30 -8.739 1.515 -7.610 226 2HH2 ARG 30 1HH2 ARG 30 -9.979 0.471 -6.961 227 H THR 31 H THR 31 -10.658 5.110 -1.172 228 HA THR 31 HA THR 31 -9.713 4.426 1.466 229 HB THR 31 HB THR 31 -12.382 3.619 1.269 230 HG1 THR 31 1HG THR 31 -13.344 4.905 -0.119 231 1HG2 THR 31 1HG2 THR 31 -11.991 4.737 3.198 232 2HG2 THR 31 2HG2 THR 31 -12.575 6.121 2.274 233 3HG2 THR 31 3HG2 THR 31 -10.843 5.846 2.445 234 H SER 32 H SER 32 -9.797 2.823 -1.409 235 HA SER 32 HA SER 32 -9.625 0.239 -0.059 236 1HB SER 32 2HB SER 32 -11.209 0.593 -2.616 237 2HB SER 32 1HB SER 32 -11.065 -0.868 -1.638 238 HG SER 32 HG SER 32 -11.948 1.023 -0.037 239 H CYS 33 H CYS 33 -8.393 -1.323 -1.213 240 HA CYS 33 HA CYS 33 -6.159 -0.390 -2.579 241 1HB CYS 33 2HB CYS 33 -6.284 -2.580 -1.430 242 2HB CYS 33 1HB CYS 33 -7.352 -3.168 -2.697 243 H ASP 34 H ASP 34 -5.676 -0.030 -4.630 244 HA ASP 34 HA ASP 34 -7.716 0.126 -6.617 245 1HB ASP 34 2HB ASP 34 -5.535 1.526 -6.357 246 2HB ASP 34 1HB ASP 34 -4.777 0.203 -7.235 247 H ARG 35 H ARG 35 -5.832 -2.380 -5.449 248 HA ARG 35 HA ARG 35 -6.075 -3.899 -7.955 249 1HB ARG 35 2HB ARG 35 -3.806 -3.604 -6.811 250 2HB ARG 35 1HB ARG 35 -4.419 -4.689 -5.571 251 1HG ARG 35 2HG ARG 35 -4.872 -5.815 -8.163 252 2HG ARG 35 1HG ARG 35 -3.178 -5.363 -7.984 253 1HD ARG 35 2HD ARG 35 -4.712 -6.993 -5.966 254 2HD ARG 35 1HD ARG 35 -3.726 -7.695 -7.250 255 HE ARG 35 HE ARG 35 -2.783 -6.296 -4.867 256 1HH1 ARG 35 2HH1 ARG 35 -2.004 -7.752 -7.961 257 2HH1 ARG 35 1HH1 ARG 35 -0.316 -7.924 -7.595 258 1HH2 ARG 35 2HH2 ARG 35 -0.590 -6.496 -4.391 259 2HH2 ARG 35 1HH2 ARG 35 0.491 -7.217 -5.551 260 H CYS 36 H CYS 36 -6.294 -4.423 -4.425 261 HA CYS 36 HA CYS 36 -7.836 -6.816 -4.793 262 1HB CYS 36 2HB CYS 36 -7.352 -5.270 -2.275 263 2HB CYS 36 1HB CYS 36 -7.866 -6.945 -2.395 264 H GLY 37 H GLY 37 -8.514 -3.483 -3.964 265 1HA GLY 37 1HA GLY 37 -10.578 -2.396 -3.905 266 2HA GLY 37 2HA GLY 37 -11.375 -3.950 -4.152 267 H ARG 38 H ARG 38 -9.005 -4.108 -1.780 268 HA ARG 38 HA ARG 38 -10.961 -4.422 0.313 269 1HB ARG 38 2HB ARG 38 -8.419 -5.442 -0.158 270 2HB ARG 38 1HB ARG 38 -8.179 -4.328 1.181 271 1HG ARG 38 2HG ARG 38 -10.481 -6.157 1.378 272 2HG ARG 38 1HG ARG 38 -8.872 -6.865 1.523 273 1HD ARG 38 2HD ARG 38 -8.423 -4.963 3.200 274 2HD ARG 38 1HD ARG 38 -10.179 -4.787 3.241 275 HE ARG 38 HE ARG 38 -10.071 -7.315 3.759 276 1HH1 ARG 38 2HH1 ARG 38 -7.891 -4.847 4.943 277 2HH1 ARG 38 1HH1 ARG 38 -7.416 -5.745 6.354 278 1HH2 ARG 38 2HH2 ARG 38 -9.460 -8.513 5.607 279 2HH2 ARG 38 1HH2 ARG 38 -8.297 -7.850 6.721 280 H GLU 39 H GLU 39 -11.425 -3.025 1.906 281 HA GLU 39 HA GLU 39 -10.733 -0.283 1.421 282 1HB GLU 39 2HB GLU 39 -12.179 -0.993 3.903 283 2HB GLU 39 1HB GLU 39 -12.538 0.243 2.708 284 1HG GLU 39 2HG GLU 39 -14.283 -1.144 2.327 285 2HG GLU 39 1HG GLU 39 -13.110 -1.870 1.229 286 H LYS 40 H LYS 40 -9.888 1.170 2.977 287 HA LYS 40 HA LYS 40 -7.729 0.206 4.577 288 1HB LYS 40 2HB LYS 40 -8.432 2.648 3.501 289 2HB LYS 40 1HB LYS 40 -8.759 2.886 5.213 290 1HG LYS 40 2HG LYS 40 -6.399 1.964 5.593 291 2HG LYS 40 1HG LYS 40 -6.160 2.249 3.867 292 1HD LYS 40 2HD LYS 40 -7.232 4.613 4.602 293 2HD LYS 40 1HD LYS 40 -6.411 4.168 6.101 294 1HE LYS 40 2HE LYS 40 -4.591 3.605 4.053 295 2HE LYS 40 1HE LYS 40 -5.314 5.155 3.619 296 1HZ LYS 40 1HZ LYS 40 -3.882 4.454 6.122 297 2HZ LYS 40 2HZ LYS 40 -4.791 5.877 5.949 298 3HZ LYS 40 3HZ LYS 40 -3.439 5.610 4.959 299 H THR 41 H THR 41 -8.852 -1.333 5.839 300 HA THR 41 HA THR 41 -11.164 -1.119 7.245 301 HB THR 41 HB THR 41 -9.848 -2.716 8.920 302 HG1 THR 41 1HG THR 41 -7.796 -2.116 7.955 303 1HG2 THR 41 1HG2 THR 41 -10.785 -4.415 7.739 304 2HG2 THR 41 2HG2 THR 41 -10.070 -3.889 6.214 305 3HG2 THR 41 3HG2 THR 41 -11.520 -3.094 6.830 306 H THR 42 H THR 42 -11.726 0.580 8.477 307 HA THR 42 HA THR 42 -9.986 1.992 10.201 308 HB THR 42 HB THR 42 -12.600 2.320 11.171 309 HG1 THR 42 1HG THR 42 -13.871 1.794 9.568 310 1HG2 THR 42 1HG2 THR 42 -10.669 3.959 10.476 311 2HG2 THR 42 2HG2 THR 42 -12.348 4.498 10.447 312 3HG2 THR 42 3HG2 THR 42 -11.551 4.019 8.949 313 H GLY 43 H GLY 43 -9.218 1.386 12.117 314 1HA GLY 43 1HA GLY 43 -10.797 -0.364 13.846 315 2HA GLY 43 2HA GLY 43 -9.235 -0.972 13.313 316 HA PRO 44 HA PRO 44 -7.190 1.193 16.614 317 1HB PRO 44 2HB PRO 44 -5.211 2.121 14.609 318 2HB PRO 44 1HB PRO 44 -4.955 1.192 16.091 319 1HG PRO 44 2HG PRO 44 -4.771 0.024 13.704 320 2HG PRO 44 1HG PRO 44 -5.512 -0.820 15.077 321 1HD PRO 44 2HD PRO 44 -6.825 0.540 12.757 322 2HD PRO 44 1HD PRO 44 -7.244 -0.993 13.549 323 H ILE 45 H ILE 45 -7.484 2.808 13.533 324 HA ILE 45 HA ILE 45 -8.209 5.292 14.919 325 HB ILE 45 HB ILE 45 -6.329 4.871 12.633 326 1HG1 ILE 45 2HG1 ILE 45 -5.373 5.417 14.761 327 1HG2 ILE 45 1HG2 ILE 45 -7.322 6.340 11.286 328 2HG2 ILE 45 2HG2 ILE 45 -8.493 6.789 12.528 329 3HG2 ILE 45 3HG2 ILE 45 -6.917 7.578 12.476 330 1HD1 ILE 45 1HD1 ILE 45 -7.271 6.405 15.890 331 2HD1 ILE 45 2HD1 ILE 45 -5.877 7.484 15.962 332 3HD1 ILE 45 3HD1 ILE 45 -7.188 7.811 14.829 Start of MODEL 4 1 1H GLY 1 1H GLY 1 19.998 23.022 -13.699 2 2H GLY 1 2H GLY 1 19.244 21.543 -14.048 3 3H GLY 1 3H GLY 1 19.919 21.806 -12.516 4 1HA GLY 1 2HA GLY 1 18.281 23.370 -11.933 5 2HA GLY 1 1HA GLY 1 17.700 23.443 -13.594 6 H SER 2 H SER 2 15.720 23.022 -12.036 7 HA SER 2 HA SER 2 15.338 20.338 -11.160 8 1HB SER 2 2HB SER 2 12.934 21.964 -11.656 9 2HB SER 2 1HB SER 2 13.471 21.161 -10.180 10 HG SER 2 HG SER 2 14.175 23.009 -9.512 11 H MET 3 H MET 3 15.395 18.787 -12.669 12 HA MET 3 HA MET 3 13.810 19.169 -15.123 13 1HB MET 3 2HB MET 3 15.104 16.928 -15.711 14 2HB MET 3 1HB MET 3 15.840 18.508 -15.931 15 1HG MET 3 2HG MET 3 16.636 18.040 -13.438 16 2HG MET 3 1HG MET 3 16.454 16.373 -13.984 17 1HE MET 3 1HE MET 3 19.979 17.041 -13.619 18 2HE MET 3 2HE MET 3 18.577 16.016 -13.311 19 3HE MET 3 3HE MET 3 19.648 15.662 -14.666 20 H SER 4 H SER 4 13.751 17.605 -12.127 21 HA SER 4 HA SER 4 11.966 15.494 -13.014 22 1HB SER 4 2HB SER 4 12.183 15.972 -10.122 23 2HB SER 4 1HB SER 4 12.428 14.488 -11.039 24 HG SER 4 HG SER 4 14.516 15.311 -11.624 25 H THR 5 H THR 5 10.189 16.625 -13.820 26 HA THR 5 HA THR 5 8.843 18.616 -12.260 27 HB THR 5 HB THR 5 7.148 17.551 -14.299 28 HG1 THR 5 1HG THR 5 8.735 17.992 -16.058 29 1HG2 THR 5 1HG2 THR 5 7.984 19.839 -15.353 30 2HG2 THR 5 2HG2 THR 5 8.620 20.074 -13.725 31 3HG2 THR 5 3HG2 THR 5 6.893 19.807 -13.967 32 H LYS 6 H LYS 6 6.696 16.362 -13.702 33 HA LYS 6 HA LYS 6 5.692 15.707 -11.024 34 1HB LYS 6 2HB LYS 6 4.437 16.558 -13.433 35 2HB LYS 6 1HB LYS 6 3.861 14.937 -13.072 36 1HG LYS 6 2HG LYS 6 2.397 16.598 -12.107 37 2HG LYS 6 1HG LYS 6 3.205 15.683 -10.833 38 1HD LYS 6 2HD LYS 6 4.947 17.645 -10.969 39 2HD LYS 6 1HD LYS 6 3.584 18.521 -11.674 40 1HE LYS 6 2HE LYS 6 2.239 17.813 -9.675 41 2HE LYS 6 1HE LYS 6 3.739 17.214 -8.968 42 1HZ LYS 6 1HZ LYS 6 4.650 19.401 -8.995 43 2HZ LYS 6 2HZ LYS 6 3.130 19.484 -8.250 44 3HZ LYS 6 3HZ LYS 6 3.319 20.016 -9.852 45 H ASN 7 H ASN 7 7.838 14.247 -11.642 46 HA ASN 7 HA ASN 7 7.279 11.843 -13.046 47 1HB ASN 7 2HB ASN 7 9.573 12.954 -12.339 48 2HB ASN 7 1HB ASN 7 9.373 11.928 -10.920 49 1HD2 ASN 7 1HD2 ASN 7 9.331 11.841 -14.450 50 2HD2 ASN 7 2HD2 ASN 7 10.027 10.256 -14.592 51 H PHE 8 H PHE 8 6.065 10.207 -12.425 52 HA PHE 8 HA PHE 8 5.102 10.022 -9.723 53 1HB PHE 8 2HB PHE 8 3.926 9.447 -12.040 54 2HB PHE 8 1HB PHE 8 4.593 7.852 -11.697 55 HD1 PHE 8 1HD PHE 8 2.800 10.560 -9.874 56 HD2 PHE 8 2HD PHE 8 3.200 6.390 -10.607 57 HE1 PHE 8 1HE PHE 8 0.907 10.117 -8.358 58 HE2 PHE 8 2HE PHE 8 1.313 5.934 -9.093 59 HZ PHE 8 HZ PHE 8 0.162 7.802 -7.967 60 H ARG 9 H ARG 9 7.645 9.718 -9.281 61 HA ARG 9 HA ARG 9 8.363 6.916 -9.221 62 1HB ARG 9 2HB ARG 9 10.004 8.251 -7.388 63 2HB ARG 9 1HB ARG 9 10.413 7.813 -9.039 64 1HG ARG 9 2HG ARG 9 9.735 9.977 -9.837 65 2HG ARG 9 1HG ARG 9 9.123 10.413 -8.240 66 1HD ARG 9 2HD ARG 9 11.863 9.547 -8.067 67 2HD ARG 9 1HD ARG 9 11.701 10.843 -9.252 68 HE ARG 9 HE ARG 9 11.135 12.313 -7.563 69 1HH1 ARG 9 2HH1 ARG 9 11.296 9.034 -6.321 70 2HH1 ARG 9 1HH1 ARG 9 11.168 9.511 -4.658 71 1HH2 ARG 9 2HH2 ARG 9 10.961 12.943 -5.361 72 2HH2 ARG 9 1HH2 ARG 9 10.962 11.731 -4.112 73 H VAL 10 H VAL 10 6.284 6.422 -8.256 74 HA VAL 10 HA VAL 10 5.112 5.549 -6.529 75 HB VAL 10 HB VAL 10 7.516 6.445 -5.002 76 1HG1 VAL 10 1HG1 VAL 10 5.946 4.996 -3.200 77 2HG1 VAL 10 2HG1 VAL 10 6.375 6.703 -3.101 78 3HG1 VAL 10 3HG1 VAL 10 4.866 6.215 -3.875 79 1HG2 VAL 10 1HG2 VAL 10 7.266 4.288 -6.365 80 2HG2 VAL 10 2HG2 VAL 10 7.911 4.168 -4.727 81 3HG2 VAL 10 3HG2 VAL 10 6.230 3.743 -5.046 82 H SER 11 H SER 11 3.315 6.275 -5.596 83 HA SER 11 HA SER 11 2.581 8.958 -5.955 84 1HB SER 11 2HB SER 11 0.892 7.537 -4.079 85 2HB SER 11 1HB SER 11 0.537 8.077 -5.724 86 HG SER 11 HG SER 11 0.668 5.660 -5.091 87 H ASP 12 H ASP 12 1.812 10.463 -4.362 88 HA ASP 12 HA ASP 12 3.771 10.892 -2.343 89 1HB ASP 12 2HB ASP 12 2.578 12.659 -3.715 90 2HB ASP 12 1HB ASP 12 1.178 12.400 -2.679 91 H GLY 13 H GLY 13 0.295 10.106 -2.229 92 1HA GLY 13 1HA GLY 13 0.540 9.912 0.702 93 2HA GLY 13 2HA GLY 13 -0.939 10.278 -0.158 94 H ASP 14 H ASP 14 1.247 7.757 -1.109 95 HA ASP 14 HA ASP 14 -0.736 5.743 -1.090 96 1HB ASP 14 2HB ASP 14 1.093 5.376 -2.552 97 2HB ASP 14 1HB ASP 14 2.276 5.661 -1.279 98 H TRP 15 H TRP 15 -0.840 3.831 0.326 99 HA TRP 15 HA TRP 15 0.229 4.360 2.986 100 1HB TRP 15 2HB TRP 15 -2.086 3.164 3.624 101 2HB TRP 15 1HB TRP 15 -1.882 4.908 3.636 102 HD1 TRP 15 HD TRP 15 -2.851 6.184 1.302 103 HE1 TRP 15 1HE TRP 15 -4.940 5.586 -0.075 104 HE3 TRP 15 3HE TRP 15 -3.479 1.322 2.807 105 HZ2 TRP 15 2HZ TRP 15 -6.653 3.350 -0.456 106 HZ3 TRP 15 3HZ TRP 15 -5.355 0.045 1.900 107 HH2 TRP 15 HH TRP 15 -6.900 1.024 0.292 108 H ILE 16 H ILE 16 -0.140 2.474 0.487 109 HA ILE 16 HA ILE 16 0.283 0.307 -0.070 110 HB ILE 16 HB ILE 16 1.310 0.321 2.747 111 1HG1 ILE 16 2HG1 ILE 16 2.688 1.228 0.908 112 1HG2 ILE 16 1HG2 ILE 16 1.148 -1.860 3.034 113 2HG2 ILE 16 2HG2 ILE 16 0.186 -1.948 1.558 114 3HG2 ILE 16 3HG2 ILE 16 1.935 -2.157 1.483 115 1HD1 ILE 16 1HD1 ILE 16 3.707 -0.958 -0.395 116 2HD1 ILE 16 2HD1 ILE 16 1.968 -1.259 -0.411 117 3HD1 ILE 16 3HD1 ILE 16 2.611 0.243 -1.080 118 H CYS 17 H CYS 17 -1.043 -1.443 -0.282 119 HA CYS 17 HA CYS 17 -3.636 -1.489 0.466 120 1HB CYS 17 2HB CYS 17 -2.800 -3.035 -1.180 121 2HB CYS 17 1HB CYS 17 -1.773 -3.825 -0.004 122 HA PRO 18 HA PRO 18 -3.895 -2.448 4.767 123 1HB PRO 18 2HB PRO 18 -6.445 -3.797 4.219 124 2HB PRO 18 1HB PRO 18 -6.131 -2.347 5.179 125 1HG PRO 18 2HG PRO 18 -7.371 -2.227 2.802 126 2HG PRO 18 1HG PRO 18 -6.271 -0.948 3.352 127 1HD PRO 18 2HD PRO 18 -5.756 -3.192 1.430 128 2HD PRO 18 1HD PRO 18 -5.287 -1.485 1.313 129 H ASP 19 H ASP 19 -3.922 -4.747 2.261 130 HA ASP 19 HA ASP 19 -3.863 -7.037 4.105 131 1HB ASP 19 2HB ASP 19 -5.184 -6.820 1.792 132 2HB ASP 19 1HB ASP 19 -3.638 -7.361 1.147 133 H LYS 20 H LYS 20 -2.245 -8.799 3.086 134 HA LYS 20 HA LYS 20 0.336 -7.413 2.731 135 1HB LYS 20 2HB LYS 20 -0.470 -9.651 4.506 136 2HB LYS 20 1HB LYS 20 1.120 -9.760 3.765 137 1HG LYS 20 2HG LYS 20 1.573 -8.712 5.765 138 2HG LYS 20 1HG LYS 20 1.437 -7.349 4.652 139 1HD LYS 20 2HD LYS 20 -1.028 -7.258 5.372 140 2HD LYS 20 1HD LYS 20 -0.538 -8.308 6.704 141 1HE LYS 20 2HE LYS 20 -0.275 -6.273 7.697 142 2HE LYS 20 1HE LYS 20 1.333 -6.484 7.007 143 1HZ LYS 20 1HZ LYS 20 0.379 -5.245 5.008 144 2HZ LYS 20 2HZ LYS 20 0.741 -4.351 6.398 145 3HZ LYS 20 3HZ LYS 20 -0.864 -4.765 6.056 146 H LYS 21 H LYS 21 -1.824 -8.852 0.983 147 HA LYS 21 HA LYS 21 -0.063 -10.733 -0.398 148 1HB LYS 21 2HB LYS 21 -2.103 -11.325 -1.703 149 2HB LYS 21 1HB LYS 21 -2.258 -11.602 0.025 150 1HG LYS 21 2HG LYS 21 -3.937 -10.139 0.230 151 2HG LYS 21 1HG LYS 21 -3.176 -8.965 -0.846 152 1HD LYS 21 2HD LYS 21 -4.206 -9.790 -2.699 153 2HD LYS 21 1HD LYS 21 -4.216 -11.444 -2.086 154 1HE LYS 21 2HE LYS 21 -6.467 -10.301 -2.308 155 2HE LYS 21 1HE LYS 21 -6.113 -11.051 -0.752 156 1HZ LYS 21 1HZ LYS 21 -7.055 -8.600 -0.965 157 2HZ LYS 21 2HZ LYS 21 -5.408 -8.240 -1.056 158 3HZ LYS 21 3HZ LYS 21 -6.015 -9.059 0.294 159 H CYS 22 H CYS 22 -1.429 -7.581 -0.692 160 HA CYS 22 HA CYS 22 -0.665 -7.367 -3.502 161 1HB CYS 22 2HB CYS 22 -1.938 -5.308 -1.703 162 2HB CYS 22 1HB CYS 22 -1.734 -5.183 -3.437 163 H GLY 23 H GLY 23 -0.353 -5.225 -0.684 164 1HA GLY 23 1HA GLY 23 1.239 -3.655 -0.182 165 2HA GLY 23 2HA GLY 23 2.393 -4.602 -1.130 166 H ASN 24 H ASN 24 -0.678 -3.323 -2.169 167 HA ASN 24 HA ASN 24 0.256 -2.398 -4.628 168 1HB ASN 24 2HB ASN 24 -1.944 -2.420 -5.004 169 2HB ASN 24 1HB ASN 24 -2.216 -2.770 -3.314 170 1HD2 ASN 24 1HD2 ASN 24 -2.693 -0.562 -5.816 171 2HD2 ASN 24 2HD2 ASN 24 -3.355 0.723 -4.879 172 H VAL 25 H VAL 25 0.952 -0.506 -5.352 173 HA VAL 25 HA VAL 25 1.468 1.633 -3.474 174 HB VAL 25 HB VAL 25 2.344 2.739 -5.686 175 1HG1 VAL 25 1HG1 VAL 25 3.741 2.020 -3.819 176 2HG1 VAL 25 2HG1 VAL 25 3.718 0.365 -4.436 177 3HG1 VAL 25 3HG1 VAL 25 4.506 1.644 -5.364 178 1HG2 VAL 25 1HG2 VAL 25 1.245 0.798 -7.009 179 2HG2 VAL 25 2HG2 VAL 25 2.848 1.359 -7.486 180 3HG2 VAL 25 3HG2 VAL 25 2.676 -0.114 -6.531 181 H ASN 26 H ASN 26 -0.575 2.380 -2.976 182 HA ASN 26 HA ASN 26 -2.489 2.881 -5.073 183 1HB ASN 26 2HB ASN 26 -2.716 2.292 -2.388 184 2HB ASN 26 1HB ASN 26 -3.119 3.999 -2.447 185 1HD2 ASN 26 1HD2 ASN 26 -4.315 0.964 -2.611 186 2HD2 ASN 26 2HD2 ASN 26 -5.790 1.303 -3.453 187 H PHE 27 H PHE 27 -3.654 5.020 -5.088 188 HA PHE 27 HA PHE 27 -1.808 7.041 -5.794 189 1HB PHE 27 2HB PHE 27 -4.010 6.849 -6.853 190 2HB PHE 27 1HB PHE 27 -4.797 7.224 -5.323 191 HD1 PHE 27 1HD PHE 27 -1.968 8.745 -7.239 192 HD2 PHE 27 2HD PHE 27 -5.752 9.297 -5.369 193 HE1 PHE 27 1HE PHE 27 -1.883 11.144 -7.782 194 HE2 PHE 27 2HE PHE 27 -5.674 11.694 -5.911 195 HZ PHE 27 HZ PHE 27 -3.738 12.619 -7.117 196 H ALA 28 H ALA 28 -4.429 7.467 -3.453 197 HA ALA 28 HA ALA 28 -2.881 8.021 -1.196 198 1HB ALA 28 1HB ALA 28 -2.386 10.210 -1.224 199 2HB ALA 28 2HB ALA 28 -2.585 10.080 -2.971 200 3HB ALA 28 3HB ALA 28 -3.921 10.647 -1.970 201 H ARG 29 H ARG 29 -5.554 9.945 -2.513 202 HA ARG 29 HA ARG 29 -7.126 9.482 -0.156 203 1HB ARG 29 2HB ARG 29 -7.469 11.079 -2.664 204 2HB ARG 29 1HB ARG 29 -8.867 10.771 -1.644 205 1HG ARG 29 2HG ARG 29 -6.362 12.275 -0.965 206 2HG ARG 29 1HG ARG 29 -8.024 12.864 -0.987 207 1HD ARG 29 2HD ARG 29 -8.571 11.487 0.926 208 2HD ARG 29 1HD ARG 29 -6.959 10.775 0.906 209 HE ARG 29 HE ARG 29 -7.662 13.504 1.735 210 1HH1 ARG 29 2HH1 ARG 29 -5.242 10.999 1.365 211 2HH1 ARG 29 1HH1 ARG 29 -4.072 11.788 2.376 212 1HH2 ARG 29 2HH2 ARG 29 -6.149 14.543 3.086 213 2HH2 ARG 29 1HH2 ARG 29 -4.592 13.814 3.363 214 H ARG 30 H ARG 30 -6.576 7.077 -1.424 215 HA ARG 30 HA ARG 30 -9.129 6.257 -2.574 216 1HB ARG 30 2HB ARG 30 -6.383 5.234 -2.686 217 2HB ARG 30 1HB ARG 30 -7.567 3.986 -2.331 218 1HG ARG 30 2HG ARG 30 -7.781 5.882 -4.655 219 2HG ARG 30 1HG ARG 30 -7.069 4.270 -4.752 220 1HD ARG 30 2HD ARG 30 -9.194 3.736 -5.369 221 2HD ARG 30 1HD ARG 30 -9.392 3.615 -3.621 222 HE ARG 30 HE ARG 30 -9.940 6.214 -4.796 223 1HH1 ARG 30 2HH1 ARG 30 -11.272 3.152 -3.705 224 2HH1 ARG 30 1HH1 ARG 30 -12.869 3.789 -3.486 225 1HH2 ARG 30 2HH2 ARG 30 -12.034 7.050 -4.490 226 2HH2 ARG 30 1HH2 ARG 30 -13.317 5.992 -3.961 227 H THR 31 H THR 31 -10.587 5.090 -1.446 228 HA THR 31 HA THR 31 -9.985 4.542 1.358 229 HB THR 31 HB THR 31 -12.657 3.828 0.761 230 HG1 THR 31 1HG THR 31 -12.063 6.423 -0.265 231 1HG2 THR 31 1HG2 THR 31 -12.439 6.486 1.831 232 2HG2 THR 31 2HG2 THR 31 -11.231 5.433 2.570 233 3HG2 THR 31 3HG2 THR 31 -12.940 5.000 2.632 234 H SER 32 H SER 32 -9.631 2.963 -1.448 235 HA SER 32 HA SER 32 -9.775 0.371 -0.160 236 1HB SER 32 2HB SER 32 -10.836 0.005 -2.793 237 2HB SER 32 1HB SER 32 -11.599 -0.361 -1.244 238 HG SER 32 HG SER 32 -12.739 1.418 -1.367 239 H CYS 33 H CYS 33 -8.570 -1.230 -1.219 240 HA CYS 33 HA CYS 33 -6.212 -0.373 -2.509 241 1HB CYS 33 2HB CYS 33 -6.270 -2.334 -1.104 242 2HB CYS 33 1HB CYS 33 -7.476 -3.088 -2.133 243 H ASP 34 H ASP 34 -5.488 -0.929 -4.615 244 HA ASP 34 HA ASP 34 -7.641 -0.951 -6.606 245 1HB ASP 34 2HB ASP 34 -6.415 0.723 -7.476 246 2HB ASP 34 1HB ASP 34 -5.067 0.382 -6.402 247 H ARG 35 H ARG 35 -5.257 -2.874 -5.165 248 HA ARG 35 HA ARG 35 -4.916 -4.635 -7.457 249 1HB ARG 35 2HB ARG 35 -3.105 -3.986 -5.712 250 2HB ARG 35 1HB ARG 35 -3.866 -5.214 -4.709 251 1HG ARG 35 2HG ARG 35 -2.924 -6.881 -5.856 252 2HG ARG 35 1HG ARG 35 -3.325 -6.149 -7.411 253 1HD ARG 35 2HD ARG 35 -1.365 -4.488 -6.477 254 2HD ARG 35 1HD ARG 35 -0.832 -6.057 -5.875 255 HE ARG 35 HE ARG 35 -1.493 -6.489 -8.504 256 1HH1 ARG 35 2HH1 ARG 35 0.741 -4.399 -6.793 257 2HH1 ARG 35 1HH1 ARG 35 1.875 -4.303 -8.106 258 1HH2 ARG 35 2HH2 ARG 35 -0.028 -6.335 -10.253 259 2HH2 ARG 35 1HH2 ARG 35 1.416 -5.381 -10.088 260 H CYS 36 H CYS 36 -6.328 -4.794 -4.172 261 HA CYS 36 HA CYS 36 -7.754 -7.200 -5.099 262 1HB CYS 36 2HB CYS 36 -7.982 -7.902 -2.765 263 2HB CYS 36 1HB CYS 36 -6.297 -7.725 -3.221 264 H GLY 37 H GLY 37 -8.151 -4.463 -2.866 265 1HA GLY 37 1HA GLY 37 -10.073 -2.976 -3.492 266 2HA GLY 37 2HA GLY 37 -11.016 -4.457 -3.589 267 H ARG 38 H ARG 38 -8.766 -4.711 -1.130 268 HA ARG 38 HA ARG 38 -10.649 -4.645 0.956 269 1HB ARG 38 2HB ARG 38 -8.365 -5.778 0.943 270 2HB ARG 38 1HB ARG 38 -7.685 -4.198 1.295 271 1HG ARG 38 2HG ARG 38 -7.868 -5.304 3.362 272 2HG ARG 38 1HG ARG 38 -9.185 -4.131 3.319 273 1HD ARG 38 2HD ARG 38 -9.716 -6.487 4.165 274 2HD ARG 38 1HD ARG 38 -10.805 -5.780 2.973 275 HE ARG 38 HE ARG 38 -10.011 -7.285 1.365 276 1HH1 ARG 38 2HH1 ARG 38 -8.434 -7.736 4.464 277 2HH1 ARG 38 1HH1 ARG 38 -7.779 -9.294 4.054 278 1HH2 ARG 38 2HH2 ARG 38 -9.124 -9.329 0.811 279 2HH2 ARG 38 1HH2 ARG 38 -8.157 -10.184 1.979 280 H GLU 39 H GLU 39 -11.268 -3.077 2.374 281 HA GLU 39 HA GLU 39 -10.987 -0.372 1.487 282 1HB GLU 39 2HB GLU 39 -12.319 -1.531 3.942 283 2HB GLU 39 1HB GLU 39 -12.443 0.148 3.436 284 1HG GLU 39 2HG GLU 39 -14.394 -0.768 2.629 285 2HG GLU 39 1HG GLU 39 -13.335 -0.834 1.221 286 H LYS 40 H LYS 40 -10.201 1.375 2.666 287 HA LYS 40 HA LYS 40 -7.751 1.096 3.990 288 1HB LYS 40 2HB LYS 40 -9.065 3.182 2.927 289 2HB LYS 40 1HB LYS 40 -9.472 3.447 4.615 290 1HG LYS 40 2HG LYS 40 -7.000 3.357 5.101 291 2HG LYS 40 1HG LYS 40 -6.748 3.409 3.354 292 1HD LYS 40 2HD LYS 40 -8.394 5.473 3.543 293 2HD LYS 40 1HD LYS 40 -7.768 5.512 5.194 294 1HE LYS 40 2HE LYS 40 -5.995 6.600 4.430 295 2HE LYS 40 1HE LYS 40 -5.539 5.141 3.554 296 1HZ LYS 40 1HZ LYS 40 -7.404 7.159 2.429 297 2HZ LYS 40 2HZ LYS 40 -6.610 5.906 1.620 298 3HZ LYS 40 3HZ LYS 40 -5.723 7.229 2.195 299 H THR 41 H THR 41 -7.531 -0.017 5.834 300 HA THR 41 HA THR 41 -9.628 -0.466 7.668 301 HB THR 41 HB THR 41 -7.393 -1.124 9.077 302 HG1 THR 41 1HG THR 41 -5.705 -1.202 7.790 303 1HG2 THR 41 1HG2 THR 41 -8.547 -2.761 6.815 304 2HG2 THR 41 2HG2 THR 41 -9.306 -2.574 8.397 305 3HG2 THR 41 3HG2 THR 41 -7.736 -3.368 8.258 306 H THR 42 H THR 42 -6.532 1.219 8.235 307 HA THR 42 HA THR 42 -7.952 3.237 9.795 308 HB THR 42 HB THR 42 -5.563 2.659 11.228 309 HG1 THR 42 1HG THR 42 -5.899 0.517 10.221 310 1HG2 THR 42 1HG2 THR 42 -8.364 1.988 12.101 311 2HG2 THR 42 2HG2 THR 42 -7.791 3.652 11.979 312 3HG2 THR 42 3HG2 THR 42 -7.005 2.525 13.086 313 H GLY 43 H GLY 43 -4.889 2.103 8.453 314 1HA GLY 43 1HA GLY 43 -4.018 3.906 6.815 315 2HA GLY 43 2HA GLY 43 -3.950 4.892 8.272 316 HA PRO 44 HA PRO 44 -0.052 2.938 9.353 317 1HB PRO 44 2HB PRO 44 -0.385 2.468 12.031 318 2HB PRO 44 1HB PRO 44 0.033 4.050 11.363 319 1HG PRO 44 2HG PRO 44 -2.626 3.007 12.248 320 2HG PRO 44 1HG PRO 44 -1.917 4.617 12.474 321 1HD PRO 44 2HD PRO 44 -3.780 4.102 10.578 322 2HD PRO 44 1HD PRO 44 -2.497 5.308 10.352 323 H ILE 45 H ILE 45 -3.094 1.561 10.260 324 HA ILE 45 HA ILE 45 -2.046 -1.143 9.812 325 HB ILE 45 HB ILE 45 -4.312 -1.201 11.605 326 1HG1 ILE 45 2HG1 ILE 45 -2.057 -0.265 13.213 327 1HG2 ILE 45 1HG2 ILE 45 -2.454 -2.906 11.015 328 2HG2 ILE 45 2HG2 ILE 45 -1.548 -2.099 12.293 329 3HG2 ILE 45 3HG2 ILE 45 -3.096 -2.859 12.657 330 1HD1 ILE 45 1HD1 ILE 45 -3.660 0.288 14.630 331 2HD1 ILE 45 2HD1 ILE 45 -4.489 1.269 13.419 332 3HD1 ILE 45 3HD1 ILE 45 -4.797 -0.464 13.510 Start of MODEL 5 1 1H GLY 1 1H GLY 1 3.865 11.822 -18.972 2 2H GLY 1 2H GLY 1 3.754 12.147 -20.634 3 3H GLY 1 3H GLY 1 3.809 13.425 -19.521 4 1HA GLY 1 2HA GLY 1 5.984 11.557 -20.253 5 2HA GLY 1 1HA GLY 1 5.943 13.299 -20.479 6 H SER 2 H SER 2 7.470 14.126 -19.225 7 HA SER 2 HA SER 2 8.773 14.596 -17.435 8 1HB SER 2 2HB SER 2 6.615 13.956 -15.502 9 2HB SER 2 1HB SER 2 7.600 15.410 -15.660 10 HG SER 2 HG SER 2 6.265 16.184 -17.186 11 H MET 3 H MET 3 9.134 11.983 -18.302 12 HA MET 3 HA MET 3 9.435 10.476 -15.799 13 1HB MET 3 2HB MET 3 8.272 9.363 -17.714 14 2HB MET 3 1HB MET 3 9.767 9.475 -18.634 15 1HG MET 3 2HG MET 3 10.398 8.270 -16.159 16 2HG MET 3 1HG MET 3 8.946 7.481 -16.776 17 1HE MET 3 1HE MET 3 12.260 6.682 -16.344 18 2HE MET 3 2HE MET 3 11.039 5.421 -16.523 19 3HE MET 3 3HE MET 3 12.434 5.457 -17.601 20 H SER 4 H SER 4 11.330 10.395 -18.790 21 HA SER 4 HA SER 4 13.558 10.291 -19.161 22 1HB SER 4 2HB SER 4 13.991 12.223 -16.901 23 2HB SER 4 1HB SER 4 14.804 12.138 -18.463 24 HG SER 4 HG SER 4 12.291 12.541 -19.032 25 H THR 5 H THR 5 14.482 11.119 -15.931 26 HA THR 5 HA THR 5 15.252 8.312 -15.474 27 HB THR 5 HB THR 5 16.593 10.342 -13.830 28 HG1 THR 5 1HG THR 5 17.111 10.263 -16.648 29 1HG2 THR 5 1HG2 THR 5 18.553 9.043 -14.398 30 2HG2 THR 5 2HG2 THR 5 17.672 8.207 -15.677 31 3HG2 THR 5 3HG2 THR 5 17.236 7.944 -13.988 32 H LYS 6 H LYS 6 12.945 10.412 -14.608 33 HA LYS 6 HA LYS 6 12.938 9.717 -11.757 34 1HB LYS 6 2HB LYS 6 12.344 12.095 -13.094 35 2HB LYS 6 1HB LYS 6 10.777 11.453 -12.625 36 1HG LYS 6 2HG LYS 6 11.960 11.134 -10.304 37 2HG LYS 6 1HG LYS 6 13.026 12.395 -10.930 38 1HD LYS 6 2HD LYS 6 10.621 13.444 -11.550 39 2HD LYS 6 1HD LYS 6 10.200 12.537 -10.094 40 1HE LYS 6 2HE LYS 6 11.159 14.068 -8.804 41 2HE LYS 6 1HE LYS 6 12.673 13.933 -9.696 42 1HZ LYS 6 1HZ LYS 6 12.004 15.599 -11.193 43 2HZ LYS 6 2HZ LYS 6 11.586 16.188 -9.660 44 3HZ LYS 6 3HZ LYS 6 10.390 15.545 -10.675 45 H ASN 7 H ASN 7 12.427 7.482 -12.580 46 HA ASN 7 HA ASN 7 9.675 7.122 -13.444 47 1HB ASN 7 2HB ASN 7 10.472 5.269 -14.410 48 2HB ASN 7 1HB ASN 7 12.070 5.667 -13.799 49 1HD2 ASN 7 1HD2 ASN 7 12.930 4.496 -12.168 50 2HD2 ASN 7 2HD2 ASN 7 12.157 3.130 -11.433 51 H PHE 8 H PHE 8 8.132 5.985 -12.280 52 HA PHE 8 HA PHE 8 6.935 5.324 -10.483 53 1HB PHE 8 2HB PHE 8 8.864 3.638 -10.501 54 2HB PHE 8 1HB PHE 8 9.522 4.564 -9.161 55 HD1 PHE 8 1HD PHE 8 6.152 3.266 -10.112 56 HD2 PHE 8 2HD PHE 8 9.163 3.585 -7.120 57 HE1 PHE 8 1HE PHE 8 4.736 1.985 -8.560 58 HE2 PHE 8 2HE PHE 8 7.750 2.305 -5.562 59 HZ PHE 8 HZ PHE 8 5.536 1.504 -6.279 60 H ARG 9 H ARG 9 6.491 7.625 -10.115 61 HA ARG 9 HA ARG 9 7.856 8.743 -7.791 62 1HB ARG 9 2HB ARG 9 6.511 10.775 -8.217 63 2HB ARG 9 1HB ARG 9 7.481 10.305 -9.603 64 1HG ARG 9 2HG ARG 9 5.666 10.403 -10.856 65 2HG ARG 9 1HG ARG 9 4.977 9.068 -9.928 66 1HD ARG 9 2HD ARG 9 4.815 11.682 -8.606 67 2HD ARG 9 1HD ARG 9 3.902 11.571 -10.111 68 HE ARG 9 HE ARG 9 3.074 9.370 -8.931 69 1HH1 ARG 9 2HH1 ARG 9 3.503 12.580 -7.560 70 2HH1 ARG 9 1HH1 ARG 9 2.298 12.343 -6.325 71 1HH2 ARG 9 2HH2 ARG 9 1.499 9.068 -7.316 72 2HH2 ARG 9 1HH2 ARG 9 1.176 10.344 -6.181 73 H VAL 10 H VAL 10 7.052 8.643 -5.802 74 HA VAL 10 HA VAL 10 4.215 7.940 -5.453 75 HB VAL 10 HB VAL 10 6.545 6.699 -3.969 76 1HG1 VAL 10 1HG1 VAL 10 3.893 7.158 -3.080 77 2HG1 VAL 10 2HG1 VAL 10 4.066 5.430 -3.387 78 3HG1 VAL 10 3HG1 VAL 10 5.175 6.245 -2.283 79 1HG2 VAL 10 1HG2 VAL 10 6.480 5.230 -5.648 80 2HG2 VAL 10 2HG2 VAL 10 4.952 4.684 -4.961 81 3HG2 VAL 10 3HG2 VAL 10 4.957 5.875 -6.262 82 H SER 11 H SER 11 3.201 9.241 -4.060 83 HA SER 11 HA SER 11 4.627 11.349 -2.750 84 1HB SER 11 2HB SER 11 1.951 11.166 -1.797 85 2HB SER 11 1HB SER 11 2.611 12.306 -2.972 86 HG SER 11 HG SER 11 1.344 9.804 -3.416 87 H ASP 12 H ASP 12 5.033 11.598 -0.550 88 HA ASP 12 HA ASP 12 4.950 9.212 1.047 89 1HB ASP 12 2HB ASP 12 6.732 10.991 1.240 90 2HB ASP 12 1HB ASP 12 5.536 11.996 2.051 91 H GLY 13 H GLY 13 3.781 8.930 2.977 92 1HA GLY 13 1HA GLY 13 1.894 9.248 4.346 93 2HA GLY 13 2HA GLY 13 1.405 10.597 3.326 94 H ASP 14 H ASP 14 2.096 8.597 1.058 95 HA ASP 14 HA ASP 14 -0.545 7.639 0.568 96 1HB ASP 14 2HB ASP 14 2.094 7.452 -0.801 97 2HB ASP 14 1HB ASP 14 0.919 6.199 -1.174 98 H TRP 15 H TRP 15 -1.005 5.322 0.194 99 HA TRP 15 HA TRP 15 0.481 3.591 2.040 100 1HB TRP 15 2HB TRP 15 -1.652 2.521 2.683 101 2HB TRP 15 1HB TRP 15 -1.639 4.230 3.105 102 HD1 TRP 15 HD TRP 15 -3.017 5.866 1.293 103 HE1 TRP 15 1HE TRP 15 -5.218 5.388 0.053 104 HE3 TRP 15 3HE TRP 15 -3.066 0.782 1.713 105 HZ2 TRP 15 2HZ TRP 15 -6.798 3.125 -0.622 106 HZ3 TRP 15 3HZ TRP 15 -4.943 -0.465 0.751 107 HH2 TRP 15 HH TRP 15 -6.768 0.666 -0.404 108 H ILE 16 H ILE 16 1.047 1.645 1.203 109 HA ILE 16 HA ILE 16 0.624 1.218 -1.578 110 HB ILE 16 HB ILE 16 1.695 -1.029 -1.152 111 1HG1 ILE 16 2HG1 ILE 16 2.867 -0.372 1.378 112 1HG2 ILE 16 1HG2 ILE 16 3.851 0.341 -0.196 113 2HG2 ILE 16 2HG2 ILE 16 3.319 0.331 -1.878 114 3HG2 ILE 16 3HG2 ILE 16 2.828 1.645 -0.807 115 1HD1 ILE 16 1HD1 ILE 16 1.188 -2.635 0.368 116 2HD1 ILE 16 2HD1 ILE 16 2.912 -2.613 0.748 117 3HD1 ILE 16 3HD1 ILE 16 1.722 -2.544 2.047 118 H CYS 17 H CYS 17 -0.432 -0.542 1.289 119 HA CYS 17 HA CYS 17 -3.044 -1.050 0.260 120 1HB CYS 17 2HB CYS 17 -0.909 -3.146 0.179 121 2HB CYS 17 1HB CYS 17 -2.536 -3.641 0.623 122 HA PRO 18 HA PRO 18 -3.911 -1.282 4.561 123 1HB PRO 18 2HB PRO 18 -5.354 -3.848 4.359 124 2HB PRO 18 1HB PRO 18 -5.959 -2.257 4.827 125 1HG PRO 18 2HG PRO 18 -6.611 -3.355 2.477 126 2HG PRO 18 1HG PRO 18 -6.337 -1.608 2.641 127 1HD PRO 18 2HD PRO 18 -4.506 -3.720 1.560 128 2HD PRO 18 1HD PRO 18 -4.829 -2.090 0.939 129 H ASP 19 H ASP 19 -2.945 -4.364 3.179 130 HA ASP 19 HA ASP 19 -0.969 -4.759 5.247 131 1HB ASP 19 2HB ASP 19 -3.080 -5.754 6.111 132 2HB ASP 19 1HB ASP 19 -3.132 -6.793 4.702 133 H LYS 20 H LYS 20 0.433 -6.627 4.656 134 HA LYS 20 HA LYS 20 0.892 -6.631 1.824 135 1HB LYS 20 2HB LYS 20 2.766 -8.216 2.442 136 2HB LYS 20 1HB LYS 20 2.841 -6.610 3.153 137 1HG LYS 20 2HG LYS 20 2.557 -7.375 5.249 138 2HG LYS 20 1HG LYS 20 1.472 -8.674 4.749 139 1HD LYS 20 2HD LYS 20 4.082 -9.141 3.675 140 2HD LYS 20 1HD LYS 20 4.206 -8.848 5.411 141 1HE LYS 20 2HE LYS 20 2.024 -10.636 4.544 142 2HE LYS 20 1HE LYS 20 3.661 -11.257 4.336 143 1HZ LYS 20 1HZ LYS 20 4.023 -10.613 6.726 144 2HZ LYS 20 2HZ LYS 20 2.979 -11.920 6.464 145 3HZ LYS 20 3HZ LYS 20 2.347 -10.392 6.845 146 H LYS 21 H LYS 21 -1.617 -7.836 2.742 147 HA LYS 21 HA LYS 21 -1.366 -10.644 2.131 148 1HB LYS 21 2HB LYS 21 -4.013 -10.139 1.761 149 2HB LYS 21 1HB LYS 21 -3.296 -10.550 3.308 150 1HG LYS 21 2HG LYS 21 -3.191 -8.228 3.931 151 2HG LYS 21 1HG LYS 21 -3.764 -7.741 2.334 152 1HD LYS 21 2HD LYS 21 -5.883 -8.001 2.965 153 2HD LYS 21 1HD LYS 21 -5.565 -9.664 3.465 154 1HE LYS 21 2HE LYS 21 -5.048 -7.210 5.142 155 2HE LYS 21 1HE LYS 21 -6.449 -8.265 5.296 156 1HZ LYS 21 1HZ LYS 21 -5.044 -9.060 6.913 157 2HZ LYS 21 2HZ LYS 21 -3.641 -8.803 5.998 158 3HZ LYS 21 3HZ LYS 21 -4.672 -10.093 5.623 159 H CYS 22 H CYS 22 -2.403 -7.675 0.506 160 HA CYS 22 HA CYS 22 -2.265 -9.092 -2.037 161 1HB CYS 22 2HB CYS 22 -2.720 -6.468 -2.639 162 2HB CYS 22 1HB CYS 22 -3.949 -7.678 -2.474 163 H GLY 23 H GLY 23 -1.507 -5.785 -1.622 164 1HA GLY 23 1HA GLY 23 0.771 -4.942 -1.188 165 2HA GLY 23 2HA GLY 23 1.375 -6.329 -2.080 166 H ASN 24 H ASN 24 -0.858 -3.601 -2.558 167 HA ASN 24 HA ASN 24 0.166 -3.322 -5.313 168 1HB ASN 24 2HB ASN 24 -2.281 -3.691 -4.991 169 2HB ASN 24 1HB ASN 24 -2.359 -2.213 -4.050 170 1HD2 ASN 24 1HD2 ASN 24 -3.158 -0.588 -5.115 171 2HD2 ASN 24 2HD2 ASN 24 -3.001 -0.288 -6.811 172 H VAL 25 H VAL 25 -0.255 -0.740 -5.892 173 HA VAL 25 HA VAL 25 0.998 0.819 -3.731 174 HB VAL 25 HB VAL 25 1.736 2.301 -5.805 175 1HG1 VAL 25 1HG1 VAL 25 3.082 -0.158 -4.722 176 2HG1 VAL 25 2HG1 VAL 25 3.888 0.942 -5.840 177 3HG1 VAL 25 3HG1 VAL 25 3.339 1.525 -4.266 178 1HG2 VAL 25 1HG2 VAL 25 2.522 0.752 -7.644 179 2HG2 VAL 25 2HG2 VAL 25 1.440 -0.463 -6.965 180 3HG2 VAL 25 3HG2 VAL 25 0.784 1.050 -7.586 181 H ASN 26 H ASN 26 -0.890 1.619 -2.905 182 HA ASN 26 HA ASN 26 -2.851 2.768 -4.735 183 1HB ASN 26 2HB ASN 26 -2.940 1.878 -1.869 184 2HB ASN 26 1HB ASN 26 -4.186 2.940 -2.514 185 1HD2 ASN 26 1HD2 ASN 26 -3.348 -0.222 -1.997 186 2HD2 ASN 26 2HD2 ASN 26 -4.449 -0.965 -3.107 187 H PHE 27 H PHE 27 -3.989 4.770 -3.923 188 HA PHE 27 HA PHE 27 -1.977 6.754 -3.179 189 1HB PHE 27 2HB PHE 27 -3.529 6.784 -5.344 190 2HB PHE 27 1HB PHE 27 -4.671 7.504 -4.217 191 HD1 PHE 27 1HD PHE 27 -4.672 9.760 -3.951 192 HD2 PHE 27 2HD PHE 27 -1.134 7.865 -5.329 193 HE1 PHE 27 1HE PHE 27 -3.629 11.965 -4.276 194 HE2 PHE 27 2HE PHE 27 -0.078 10.060 -5.657 195 HZ PHE 27 HZ PHE 27 -1.329 12.118 -5.130 196 H ALA 28 H ALA 28 -2.349 8.150 -1.512 197 HA ALA 28 HA ALA 28 -3.629 7.326 0.758 198 1HB ALA 28 1HB ALA 28 -3.134 9.406 1.712 199 2HB ALA 28 2HB ALA 28 -1.893 9.157 0.483 200 3HB ALA 28 3HB ALA 28 -3.248 10.240 0.162 201 H ARG 29 H ARG 29 -5.050 9.275 -1.838 202 HA ARG 29 HA ARG 29 -7.391 9.893 -0.283 203 1HB ARG 29 2HB ARG 29 -8.199 10.979 -2.281 204 2HB ARG 29 1HB ARG 29 -6.505 11.398 -2.050 205 1HG ARG 29 2HG ARG 29 -5.942 10.548 -4.014 206 2HG ARG 29 1HG ARG 29 -6.782 9.034 -3.678 207 1HD ARG 29 2HD ARG 29 -8.034 11.572 -4.694 208 2HD ARG 29 1HD ARG 29 -7.664 10.144 -5.656 209 HE ARG 29 HE ARG 29 -9.292 8.952 -4.152 210 1HH1 ARG 29 2HH1 ARG 29 -9.502 12.404 -4.681 211 2HH1 ARG 29 1HH1 ARG 29 -11.215 12.473 -4.393 212 1HH2 ARG 29 2HH2 ARG 29 -11.545 9.038 -3.775 213 2HH2 ARG 29 1HH2 ARG 29 -12.381 10.559 -3.897 214 H ARG 30 H ARG 30 -6.323 7.132 -1.730 215 HA ARG 30 HA ARG 30 -8.841 6.183 -2.776 216 1HB ARG 30 2HB ARG 30 -6.116 4.982 -2.387 217 2HB ARG 30 1HB ARG 30 -7.495 3.936 -2.689 218 1HG ARG 30 2HG ARG 30 -7.871 5.588 -4.702 219 2HG ARG 30 1HG ARG 30 -6.146 5.884 -4.481 220 1HD ARG 30 2HD ARG 30 -6.138 3.208 -4.405 221 2HD ARG 30 1HD ARG 30 -7.562 3.454 -5.414 222 HE ARG 30 HE ARG 30 -4.798 4.087 -6.092 223 1HH1 ARG 30 2HH1 ARG 30 -8.184 4.185 -6.985 224 2HH1 ARG 30 1HH1 ARG 30 -7.864 4.657 -8.627 225 1HH2 ARG 30 2HH2 ARG 30 -4.378 4.681 -8.249 226 2HH2 ARG 30 1HH2 ARG 30 -5.702 4.916 -9.353 227 H THR 31 H THR 31 -10.369 5.186 -1.656 228 HA THR 31 HA THR 31 -9.962 4.771 1.183 229 HB THR 31 HB THR 31 -12.550 3.943 0.529 230 HG1 THR 31 1HG THR 31 -13.288 5.558 -0.898 231 1HG2 THR 31 1HG2 THR 31 -13.226 6.091 1.522 232 2HG2 THR 31 2HG2 THR 31 -11.571 6.678 1.363 233 3HG2 THR 31 3HG2 THR 31 -11.927 5.332 2.446 234 H SER 32 H SER 32 -9.744 2.988 -1.647 235 HA SER 32 HA SER 32 -9.654 0.501 -0.146 236 1HB SER 32 2HB SER 32 -10.952 -0.183 -2.551 237 2HB SER 32 1HB SER 32 -11.635 -0.222 -0.927 238 HG SER 32 HG SER 32 -12.964 1.177 -1.805 239 H CYS 33 H CYS 33 -8.533 -1.172 -1.226 240 HA CYS 33 HA CYS 33 -6.314 -0.590 -2.776 241 1HB CYS 33 2HB CYS 33 -7.985 -3.055 -2.456 242 2HB CYS 33 1HB CYS 33 -6.515 -3.069 -3.406 243 H ASP 34 H ASP 34 -5.984 -0.365 -4.935 244 HA ASP 34 HA ASP 34 -8.289 0.005 -6.629 245 1HB ASP 34 2HB ASP 34 -6.553 1.633 -6.823 246 2HB ASP 34 1HB ASP 34 -5.330 0.390 -7.074 247 H ARG 35 H ARG 35 -5.586 -2.251 -6.436 248 HA ARG 35 HA ARG 35 -6.454 -3.562 -8.903 249 1HB ARG 35 2HB ARG 35 -4.188 -3.373 -9.106 250 2HB ARG 35 1HB ARG 35 -3.926 -3.387 -7.371 251 1HG ARG 35 2HG ARG 35 -3.230 -5.475 -7.515 252 2HG ARG 35 1HG ARG 35 -4.829 -5.958 -8.071 253 1HD ARG 35 2HD ARG 35 -2.343 -5.822 -9.519 254 2HD ARG 35 1HD ARG 35 -3.870 -6.564 -9.988 255 HE ARG 35 HE ARG 35 -2.982 -3.839 -10.610 256 1HH1 ARG 35 2HH1 ARG 35 -5.377 -6.383 -10.936 257 2HH1 ARG 35 1HH1 ARG 35 -6.171 -5.622 -12.282 258 1HH2 ARG 35 2HH2 ARG 35 -4.055 -2.822 -12.354 259 2HH2 ARG 35 1HH2 ARG 35 -5.459 -3.583 -13.060 260 H CYS 36 H CYS 36 -5.865 -4.226 -5.500 261 HA CYS 36 HA CYS 36 -6.592 -6.987 -5.664 262 1HB CYS 36 2HB CYS 36 -6.560 -5.901 -3.015 263 2HB CYS 36 1HB CYS 36 -5.403 -6.992 -3.782 264 H GLY 37 H GLY 37 -8.005 -4.228 -3.875 265 1HA GLY 37 1HA GLY 37 -10.346 -3.684 -4.270 266 2HA GLY 37 2HA GLY 37 -10.658 -5.399 -4.448 267 H ARG 38 H ARG 38 -8.598 -4.532 -1.803 268 HA ARG 38 HA ARG 38 -10.790 -5.016 0.071 269 1HB ARG 38 2HB ARG 38 -7.930 -5.395 0.121 270 2HB ARG 38 1HB ARG 38 -8.428 -4.415 1.491 271 1HG ARG 38 2HG ARG 38 -9.153 -7.229 0.815 272 2HG ARG 38 1HG ARG 38 -8.528 -6.566 2.325 273 1HD ARG 38 2HD ARG 38 -10.619 -6.520 3.084 274 2HD ARG 38 1HD ARG 38 -10.962 -5.262 1.898 275 HE ARG 38 HE ARG 38 -11.179 -8.066 1.076 276 1HH1 ARG 38 2HH1 ARG 38 -12.794 -5.076 1.972 277 2HH1 ARG 38 1HH1 ARG 38 -14.285 -5.503 1.167 278 1HH2 ARG 38 2HH2 ARG 38 -13.138 -8.627 0.050 279 2HH2 ARG 38 1HH2 ARG 38 -14.483 -7.526 0.091 280 H GLU 39 H GLU 39 -10.882 -3.477 2.039 281 HA GLU 39 HA GLU 39 -10.706 -0.747 1.003 282 1HB GLU 39 2HB GLU 39 -12.240 -0.098 2.700 283 2HB GLU 39 1HB GLU 39 -12.845 -1.597 2.014 284 1HG GLU 39 2HG GLU 39 -11.102 -1.914 4.350 285 2HG GLU 39 1HG GLU 39 -12.633 -1.090 4.655 286 H LYS 40 H LYS 40 -9.738 0.946 2.192 287 HA LYS 40 HA LYS 40 -7.355 0.169 3.598 288 1HB LYS 40 2HB LYS 40 -7.537 2.164 2.057 289 2HB LYS 40 1HB LYS 40 -8.494 2.954 3.304 290 1HG LYS 40 2HG LYS 40 -6.333 2.243 4.744 291 2HG LYS 40 1HG LYS 40 -5.594 2.474 3.157 292 1HD LYS 40 2HD LYS 40 -5.607 4.671 3.506 293 2HD LYS 40 1HD LYS 40 -7.370 4.630 3.554 294 1HE LYS 40 2HE LYS 40 -5.801 3.888 5.982 295 2HE LYS 40 1HE LYS 40 -6.021 5.588 5.573 296 1HZ LYS 40 1HZ LYS 40 -8.334 3.758 5.707 297 2HZ LYS 40 2HZ LYS 40 -8.304 5.446 5.860 298 3HZ LYS 40 3HZ LYS 40 -7.717 4.467 7.115 299 H THR 41 H THR 41 -8.730 -1.017 5.223 300 HA THR 41 HA THR 41 -10.161 0.486 7.176 301 HB THR 41 HB THR 41 -10.717 -1.847 6.777 302 HG1 THR 41 1HG THR 41 -10.840 -0.843 8.977 303 1HG2 THR 41 1HG2 THR 41 -8.416 -2.620 6.230 304 2HG2 THR 41 2HG2 THR 41 -9.269 -3.679 7.355 305 3HG2 THR 41 3HG2 THR 41 -8.036 -2.569 7.954 306 H THR 42 H THR 42 -6.842 -0.550 6.807 307 HA THR 42 HA THR 42 -6.046 -0.110 9.497 308 HB THR 42 HB THR 42 -3.910 0.232 7.562 309 HG1 THR 42 1HG THR 42 -4.355 -2.206 7.023 310 1HG2 THR 42 1HG2 THR 42 -3.048 -1.789 8.748 311 2HG2 THR 42 2HG2 THR 42 -4.566 -1.857 9.643 312 3HG2 THR 42 3HG2 THR 42 -3.492 -0.471 9.833 313 H GLY 43 H GLY 43 -6.302 1.840 10.374 314 1HA GLY 43 1HA GLY 43 -4.946 4.096 9.057 315 2HA GLY 43 2HA GLY 43 -6.575 4.307 9.694 316 HA PRO 44 HA PRO 44 -3.586 5.233 13.141 317 1HB PRO 44 2HB PRO 44 -4.987 7.768 13.405 318 2HB PRO 44 1HB PRO 44 -3.275 7.475 13.084 319 1HG PRO 44 2HG PRO 44 -4.961 8.531 11.237 320 2HG PRO 44 1HG PRO 44 -3.560 7.536 10.804 321 1HD PRO 44 2HD PRO 44 -6.449 6.756 10.987 322 2HD PRO 44 1HD PRO 44 -5.245 6.328 9.751 323 H ILE 45 H ILE 45 -5.481 3.492 13.582 324 HA ILE 45 HA ILE 45 -7.238 4.625 15.658 325 HB ILE 45 HB ILE 45 -7.587 1.905 14.403 326 1HG1 ILE 45 2HG1 ILE 45 -9.369 4.080 13.492 327 1HG2 ILE 45 1HG2 ILE 45 -9.254 3.712 16.107 328 2HG2 ILE 45 2HG2 ILE 45 -10.015 2.493 15.085 329 3HG2 ILE 45 3HG2 ILE 45 -8.864 2.008 16.330 330 1HD1 ILE 45 1HD1 ILE 45 -9.816 2.151 12.357 331 2HD1 ILE 45 2HD1 ILE 45 -8.682 2.930 11.254 332 3HD1 ILE 45 3HD1 ILE 45 -8.126 1.645 12.327 Start of MODEL 6 1 1H GLY 1 1H GLY 1 13.863 -9.497 15.843 2 2H GLY 1 2H GLY 1 13.946 -10.702 14.654 3 3H GLY 1 3H GLY 1 12.457 -9.990 15.035 4 1HA GLY 1 2HA GLY 1 13.539 -7.800 14.334 5 2HA GLY 1 1HA GLY 1 14.731 -8.832 13.556 6 H SER 2 H SER 2 13.471 -7.256 11.879 7 HA SER 2 HA SER 2 10.954 -8.260 10.959 8 1HB SER 2 2HB SER 2 12.633 -6.622 9.138 9 2HB SER 2 1HB SER 2 10.938 -6.434 9.585 10 HG SER 2 HG SER 2 11.678 -4.866 10.788 11 H MET 3 H MET 3 11.322 -10.462 10.584 12 HA MET 3 HA MET 3 13.017 -11.071 8.249 13 1HB MET 3 2HB MET 3 12.949 -12.246 10.822 14 2HB MET 3 1HB MET 3 12.255 -13.422 9.716 15 1HG MET 3 2HG MET 3 14.336 -14.033 9.270 16 2HG MET 3 1HG MET 3 14.477 -12.525 8.368 17 1HE MET 3 1HE MET 3 16.897 -11.101 8.986 18 2HE MET 3 2HE MET 3 15.266 -10.453 9.142 19 3HE MET 3 3HE MET 3 16.448 -10.182 10.422 20 H SER 4 H SER 4 10.055 -10.277 8.747 21 HA SER 4 HA SER 4 8.660 -12.510 7.537 22 1HB SER 4 2HB SER 4 6.941 -10.309 7.615 23 2HB SER 4 1HB SER 4 7.044 -11.599 8.816 24 HG SER 4 HG SER 4 7.328 -9.301 9.531 25 H THR 5 H THR 5 10.763 -10.645 6.218 26 HA THR 5 HA THR 5 11.216 -9.818 4.159 27 HB THR 5 HB THR 5 8.513 -10.624 3.131 28 HG1 THR 5 1HG THR 5 9.236 -12.435 4.264 29 1HG2 THR 5 1HG2 THR 5 11.282 -10.355 1.994 30 2HG2 THR 5 2HG2 THR 5 9.793 -9.560 1.483 31 3HG2 THR 5 3HG2 THR 5 10.027 -11.279 1.166 32 H LYS 6 H LYS 6 11.314 -7.681 4.379 33 HA LYS 6 HA LYS 6 9.292 -5.959 5.193 34 1HB LYS 6 2HB LYS 6 11.931 -5.689 3.923 35 2HB LYS 6 1HB LYS 6 10.841 -4.345 3.621 36 1HG LYS 6 2HG LYS 6 11.530 -3.517 5.560 37 2HG LYS 6 1HG LYS 6 10.578 -4.785 6.333 38 1HD LYS 6 2HD LYS 6 12.601 -5.199 7.302 39 2HD LYS 6 1HD LYS 6 12.768 -6.202 5.860 40 1HE LYS 6 2HE LYS 6 13.761 -4.019 4.816 41 2HE LYS 6 1HE LYS 6 14.022 -3.568 6.500 42 1HZ LYS 6 1HZ LYS 6 15.910 -4.715 6.320 43 2HZ LYS 6 2HZ LYS 6 15.434 -5.467 4.877 44 3HZ LYS 6 3HZ LYS 6 14.959 -6.117 6.368 45 H ASN 7 H ASN 7 7.407 -5.579 4.272 46 HA ASN 7 HA ASN 7 6.785 -6.089 1.560 47 1HB ASN 7 2HB ASN 7 5.221 -5.942 3.623 48 2HB ASN 7 1HB ASN 7 5.216 -4.209 3.314 49 1HD2 ASN 7 1HD2 ASN 7 2.852 -5.000 3.186 50 2HD2 ASN 7 2HD2 ASN 7 2.280 -5.345 1.592 51 H PHE 8 H PHE 8 5.943 -4.403 0.035 52 HA PHE 8 HA PHE 8 7.890 -2.426 -0.455 53 1HB PHE 8 2HB PHE 8 6.212 -3.632 -2.072 54 2HB PHE 8 1HB PHE 8 5.162 -2.274 -1.674 55 HD1 PHE 8 1HD PHE 8 8.342 -3.255 -3.205 56 HD2 PHE 8 2HD PHE 8 5.602 -0.085 -2.502 57 HE1 PHE 8 1HE PHE 8 9.523 -1.872 -4.870 58 HE2 PHE 8 2HE PHE 8 6.770 1.306 -4.163 59 HZ PHE 8 HZ PHE 8 8.732 0.411 -5.351 60 H ARG 9 H ARG 9 8.057 -1.062 1.273 61 HA ARG 9 HA ARG 9 5.725 0.471 2.092 62 1HB ARG 9 2HB ARG 9 6.756 0.518 4.072 63 2HB ARG 9 1HB ARG 9 8.090 -0.391 3.382 64 1HG ARG 9 2HG ARG 9 8.572 2.217 2.583 65 2HG ARG 9 1HG ARG 9 7.970 2.369 4.235 66 1HD ARG 9 2HD ARG 9 9.882 1.595 5.075 67 2HD ARG 9 1HD ARG 9 9.830 0.179 4.027 68 HE ARG 9 HE ARG 9 10.968 1.493 2.327 69 1HH1 ARG 9 2HH1 ARG 9 10.955 2.807 5.580 70 2HH1 ARG 9 1HH1 ARG 9 12.360 3.796 5.325 71 1HH2 ARG 9 2HH2 ARG 9 12.820 2.771 1.993 72 2HH2 ARG 9 1HH2 ARG 9 13.443 3.747 3.288 73 H VAL 10 H VAL 10 5.333 2.506 1.508 74 HA VAL 10 HA VAL 10 7.298 3.832 -0.227 75 HB VAL 10 HB VAL 10 4.982 5.184 -0.685 76 1HG1 VAL 10 1HG1 VAL 10 6.516 4.396 -2.385 77 2HG1 VAL 10 2HG1 VAL 10 5.978 2.734 -2.131 78 3HG1 VAL 10 3HG1 VAL 10 4.864 3.931 -2.796 79 1HG2 VAL 10 1HG2 VAL 10 3.615 3.687 0.641 80 2HG2 VAL 10 2HG2 VAL 10 3.209 3.513 -1.068 81 3HG2 VAL 10 3HG2 VAL 10 4.211 2.298 -0.272 82 H SER 11 H SER 11 7.037 6.283 -0.186 83 HA SER 11 HA SER 11 7.402 7.300 2.408 84 1HB SER 11 2HB SER 11 6.530 9.358 0.595 85 2HB SER 11 1HB SER 11 8.154 9.048 1.219 86 HG SER 11 HG SER 11 8.392 7.480 -0.467 87 H ASP 12 H ASP 12 6.005 8.465 3.765 88 HA ASP 12 HA ASP 12 3.378 7.486 3.785 89 1HB ASP 12 2HB ASP 12 3.398 8.195 5.892 90 2HB ASP 12 1HB ASP 12 5.013 8.806 5.594 91 H GLY 13 H GLY 13 1.422 8.785 3.874 92 1HA GLY 13 1HA GLY 13 0.044 10.421 2.835 93 2HA GLY 13 2HA GLY 13 1.392 10.864 1.797 94 H ASP 14 H ASP 14 2.215 8.485 0.914 95 HA ASP 14 HA ASP 14 0.028 7.492 -0.751 96 1HB ASP 14 2HB ASP 14 2.933 7.648 -0.988 97 2HB ASP 14 1HB ASP 14 2.342 6.029 -1.340 98 H TRP 15 H TRP 15 -0.810 5.428 -0.511 99 HA TRP 15 HA TRP 15 0.376 3.820 1.642 100 1HB TRP 15 2HB TRP 15 -1.684 3.391 2.670 101 2HB TRP 15 1HB TRP 15 -1.736 5.112 2.320 102 HD1 TRP 15 HD TRP 15 -3.145 5.696 -0.088 103 HE1 TRP 15 1HE TRP 15 -5.386 4.683 -0.845 104 HE3 TRP 15 3HE TRP 15 -3.119 1.440 2.757 105 HZ2 TRP 15 2HZ TRP 15 -6.946 2.391 -0.293 106 HZ3 TRP 15 3HZ TRP 15 -5.015 -0.112 2.584 107 HH2 TRP 15 HH TRP 15 -6.887 0.351 1.078 108 H ILE 16 H ILE 16 0.132 1.595 1.494 109 HA ILE 16 HA ILE 16 -0.351 0.670 -1.229 110 HB ILE 16 HB ILE 16 0.817 -1.445 -0.376 111 1HG1 ILE 16 2HG1 ILE 16 2.024 0.304 1.731 112 1HG2 ILE 16 1HG2 ILE 16 1.858 0.206 -1.844 113 2HG2 ILE 16 2HG2 ILE 16 2.373 1.130 -0.435 114 3HG2 ILE 16 3HG2 ILE 16 3.020 -0.486 -0.714 115 1HD1 ILE 16 1HD1 ILE 16 2.854 -2.035 1.066 116 2HD1 ILE 16 2HD1 ILE 16 2.677 -1.648 2.778 117 3HD1 ILE 16 3HD1 ILE 16 1.451 -2.617 1.963 118 H CYS 17 H CYS 17 -0.485 -1.934 0.865 119 HA CYS 17 HA CYS 17 -3.397 -1.721 1.146 120 1HB CYS 17 2HB CYS 17 -2.449 -3.382 -0.616 121 2HB CYS 17 1HB CYS 17 -1.962 -4.350 0.754 122 HA PRO 18 HA PRO 18 -2.728 -2.150 5.411 123 1HB PRO 18 2HB PRO 18 -4.865 -4.214 5.508 124 2HB PRO 18 1HB PRO 18 -4.717 -2.706 6.417 125 1HG PRO 18 2HG PRO 18 -6.433 -2.920 4.394 126 2HG PRO 18 1HG PRO 18 -5.527 -1.419 4.671 127 1HD PRO 18 2HD PRO 18 -5.075 -3.560 2.640 128 2HD PRO 18 1HD PRO 18 -4.893 -1.802 2.486 129 H ASP 19 H ASP 19 -2.960 -5.078 3.521 130 HA ASP 19 HA ASP 19 -1.364 -6.529 5.527 131 1HB ASP 19 2HB ASP 19 -3.677 -7.410 4.898 132 2HB ASP 19 1HB ASP 19 -2.982 -7.816 3.330 133 H LYS 20 H LYS 20 -0.343 -8.572 4.091 134 HA LYS 20 HA LYS 20 1.567 -7.131 2.391 135 1HB LYS 20 2HB LYS 20 1.957 -9.814 3.724 136 2HB LYS 20 1HB LYS 20 3.190 -8.806 2.980 137 1HG LYS 20 2HG LYS 20 3.482 -7.616 4.836 138 2HG LYS 20 1HG LYS 20 1.746 -7.426 5.089 139 1HD LYS 20 2HD LYS 20 3.176 -10.002 5.699 140 2HD LYS 20 1HD LYS 20 3.068 -8.694 6.876 141 1HE LYS 20 2HE LYS 20 0.638 -9.842 5.530 142 2HE LYS 20 1HE LYS 20 1.308 -10.537 7.007 143 1HZ LYS 20 1HZ LYS 20 -0.557 -8.746 7.124 144 2HZ LYS 20 2HZ LYS 20 0.724 -7.652 6.919 145 3HZ LYS 20 3HZ LYS 20 0.720 -8.712 8.239 146 H LYS 21 H LYS 21 -0.968 -9.332 2.232 147 HA LYS 21 HA LYS 21 -0.178 -11.054 0.169 148 1HB LYS 21 2HB LYS 21 -2.820 -10.027 1.132 149 2HB LYS 21 1HB LYS 21 -2.751 -10.941 -0.370 150 1HG LYS 21 2HG LYS 21 -1.773 -12.826 0.780 151 2HG LYS 21 1HG LYS 21 -1.723 -11.914 2.288 152 1HD LYS 21 2HD LYS 21 -4.342 -12.161 0.920 153 2HD LYS 21 1HD LYS 21 -3.691 -13.606 1.694 154 1HE LYS 21 2HE LYS 21 -4.302 -10.946 2.971 155 2HE LYS 21 1HE LYS 21 -5.074 -12.500 3.288 156 1HZ LYS 21 1HZ LYS 21 -2.550 -11.440 4.273 157 2HZ LYS 21 2HZ LYS 21 -2.542 -13.089 3.859 158 3HZ LYS 21 3HZ LYS 21 -3.647 -12.510 5.009 159 H CYS 22 H CYS 22 -1.521 -7.803 0.094 160 HA CYS 22 HA CYS 22 -1.330 -7.646 -2.795 161 1HB CYS 22 2HB CYS 22 -2.529 -6.107 -0.642 162 2HB CYS 22 1HB CYS 22 -1.661 -5.080 -1.770 163 H GLY 23 H GLY 23 -0.230 -5.377 -0.336 164 1HA GLY 23 1HA GLY 23 1.641 -4.061 -0.211 165 2HA GLY 23 2HA GLY 23 2.505 -5.308 -1.112 166 H ASN 24 H ASN 24 -0.415 -3.846 -2.259 167 HA ASN 24 HA ASN 24 0.919 -3.059 -4.703 168 1HB ASN 24 2HB ASN 24 -1.301 -4.212 -4.685 169 2HB ASN 24 1HB ASN 24 -1.988 -2.773 -3.947 170 1HD2 ASN 24 1HD2 ASN 24 -2.717 -1.268 -5.198 171 2HD2 ASN 24 2HD2 ASN 24 -2.399 -1.143 -6.880 172 H VAL 25 H VAL 25 1.386 -1.049 -5.317 173 HA VAL 25 HA VAL 25 1.183 1.044 -3.366 174 HB VAL 25 HB VAL 25 2.114 2.409 -5.442 175 1HG1 VAL 25 1HG1 VAL 25 4.263 0.697 -4.625 176 2HG1 VAL 25 2HG1 VAL 25 3.933 2.370 -4.170 177 3HG1 VAL 25 3HG1 VAL 25 3.216 1.045 -3.249 178 1HG2 VAL 25 1HG2 VAL 25 2.943 -0.402 -6.141 179 2HG2 VAL 25 2HG2 VAL 25 1.692 0.495 -6.998 180 3HG2 VAL 25 3HG2 VAL 25 3.354 1.083 -6.998 181 H ASN 26 H ASN 26 -0.918 1.511 -3.078 182 HA ASN 26 HA ASN 26 -2.702 2.084 -5.265 183 1HB ASN 26 2HB ASN 26 -3.013 2.338 -2.268 184 2HB ASN 26 1HB ASN 26 -4.297 2.665 -3.426 185 1HD2 ASN 26 1HD2 ASN 26 -4.203 0.667 -1.325 186 2HD2 ASN 26 2HD2 ASN 26 -4.404 -0.868 -2.103 187 H PHE 27 H PHE 27 -4.127 4.192 -4.615 188 HA PHE 27 HA PHE 27 -2.420 6.406 -5.209 189 1HB PHE 27 2HB PHE 27 -4.853 6.030 -5.944 190 2HB PHE 27 1HB PHE 27 -5.302 6.605 -4.344 191 HD1 PHE 27 1HD PHE 27 -6.528 8.488 -5.145 192 HD2 PHE 27 2HD PHE 27 -2.434 7.985 -6.191 193 HE1 PHE 27 1HE PHE 27 -6.447 10.810 -5.944 194 HE2 PHE 27 2HE PHE 27 -2.351 10.312 -6.986 195 HZ PHE 27 HZ PHE 27 -4.361 11.726 -6.860 196 H ALA 28 H ALA 28 -4.501 7.928 -3.294 197 HA ALA 28 HA ALA 28 -2.931 7.690 -0.842 198 1HB ALA 28 1HB ALA 28 -3.109 10.117 -2.583 199 2HB ALA 28 2HB ALA 28 -2.926 10.294 -0.838 200 3HB ALA 28 3HB ALA 28 -1.705 9.426 -1.768 201 H ARG 29 H ARG 29 -5.364 9.858 -2.262 202 HA ARG 29 HA ARG 29 -6.995 9.796 0.103 203 1HB ARG 29 2HB ARG 29 -8.579 11.154 -1.272 204 2HB ARG 29 1HB ARG 29 -6.956 11.826 -1.201 205 1HG ARG 29 2HG ARG 29 -6.904 11.890 -3.410 206 2HG ARG 29 1HG ARG 29 -7.048 10.132 -3.454 207 1HD ARG 29 2HD ARG 29 -8.794 11.411 -4.755 208 2HD ARG 29 1HD ARG 29 -9.408 10.236 -3.593 209 HE ARG 29 HE ARG 29 -10.135 11.988 -2.212 210 1HH1 ARG 29 2HH1 ARG 29 -8.674 13.140 -5.183 211 2HH1 ARG 29 1HH1 ARG 29 -9.274 14.762 -4.998 212 1HH2 ARG 29 2HH2 ARG 29 -10.946 14.097 -1.981 213 2HH2 ARG 29 1HH2 ARG 29 -10.588 15.304 -3.183 214 H ARG 30 H ARG 30 -6.598 7.220 -0.748 215 HA ARG 30 HA ARG 30 -9.104 6.463 -2.091 216 1HB ARG 30 2HB ARG 30 -6.343 5.359 -2.181 217 2HB ARG 30 1HB ARG 30 -7.678 4.225 -2.314 218 1HG ARG 30 2HG ARG 30 -7.970 6.558 -4.026 219 2HG ARG 30 1HG ARG 30 -6.529 5.609 -4.371 220 1HD ARG 30 2HD ARG 30 -8.436 3.671 -4.060 221 2HD ARG 30 1HD ARG 30 -9.349 4.975 -4.817 222 HE ARG 30 HE ARG 30 -7.022 3.577 -5.954 223 1HH1 ARG 30 2HH1 ARG 30 -9.695 5.830 -6.310 224 2HH1 ARG 30 1HH1 ARG 30 -9.545 5.923 -8.040 225 1HH2 ARG 30 2HH2 ARG 30 -6.820 3.701 -8.209 226 2HH2 ARG 30 1HH2 ARG 30 -7.883 4.735 -9.121 227 H THR 31 H THR 31 -10.576 5.600 -0.816 228 HA THR 31 HA THR 31 -9.754 4.354 1.699 229 HB THR 31 HB THR 31 -12.627 4.398 1.117 230 HG1 THR 31 1HG THR 31 -11.227 6.891 1.319 231 1HG2 THR 31 1HG2 THR 31 -12.590 4.409 3.347 232 2HG2 THR 31 2HG2 THR 31 -11.903 6.035 3.315 233 3HG2 THR 31 3HG2 THR 31 -10.839 4.630 3.334 234 H SER 32 H SER 32 -9.481 3.251 -1.095 235 HA SER 32 HA SER 32 -10.193 0.549 -0.384 236 1HB SER 32 2HB SER 32 -11.183 1.737 -2.999 237 2HB SER 32 1HB SER 32 -11.364 0.061 -2.480 238 HG SER 32 HG SER 32 -12.356 1.508 -0.540 239 H CYS 33 H CYS 33 -8.922 -0.981 -1.489 240 HA CYS 33 HA CYS 33 -6.399 -0.168 -2.443 241 1HB CYS 33 2HB CYS 33 -7.270 -2.477 -1.544 242 2HB CYS 33 1HB CYS 33 -7.583 -2.793 -3.244 243 H ASP 34 H ASP 34 -5.470 -0.450 -4.499 244 HA ASP 34 HA ASP 34 -7.255 0.143 -6.726 245 1HB ASP 34 2HB ASP 34 -4.364 0.473 -6.142 246 2HB ASP 34 1HB ASP 34 -4.769 0.114 -7.815 247 H ARG 35 H ARG 35 -5.618 -2.465 -5.273 248 HA ARG 35 HA ARG 35 -5.557 -4.003 -7.779 249 1HB ARG 35 2HB ARG 35 -3.605 -3.713 -5.886 250 2HB ARG 35 1HB ARG 35 -4.353 -5.225 -5.396 251 1HG ARG 35 2HG ARG 35 -3.855 -5.070 -8.261 252 2HG ARG 35 1HG ARG 35 -2.392 -4.945 -7.286 253 1HD ARG 35 2HD ARG 35 -4.376 -7.185 -7.439 254 2HD ARG 35 1HD ARG 35 -2.626 -7.237 -7.649 255 HE ARG 35 HE ARG 35 -3.382 -6.433 -5.007 256 1HH1 ARG 35 2HH1 ARG 35 -2.899 -9.232 -7.083 257 2HH1 ARG 35 1HH1 ARG 35 -2.639 -10.312 -5.745 258 1HH2 ARG 35 2HH2 ARG 35 -3.017 -7.838 -3.284 259 2HH2 ARG 35 1HH2 ARG 35 -2.701 -9.531 -3.592 260 H CYS 36 H CYS 36 -6.108 -4.809 -4.324 261 HA CYS 36 HA CYS 36 -7.772 -7.008 -5.155 262 1HB CYS 36 2HB CYS 36 -7.906 -7.593 -2.807 263 2HB CYS 36 1HB CYS 36 -6.240 -7.241 -3.237 264 H GLY 37 H GLY 37 -8.218 -3.819 -3.774 265 1HA GLY 37 1HA GLY 37 -10.009 -2.453 -4.393 266 2HA GLY 37 2HA GLY 37 -10.881 -3.877 -4.932 267 H ARG 38 H ARG 38 -9.687 -4.449 -1.845 268 HA ARG 38 HA ARG 38 -12.296 -4.205 -0.696 269 1HB ARG 38 2HB ARG 38 -11.057 -4.750 1.469 270 2HB ARG 38 1HB ARG 38 -11.070 -5.974 0.209 271 1HG ARG 38 2HG ARG 38 -8.896 -6.030 0.845 272 2HG ARG 38 1HG ARG 38 -8.807 -4.825 -0.445 273 1HD ARG 38 2HD ARG 38 -9.354 -3.181 1.531 274 2HD ARG 38 1HD ARG 38 -8.661 -4.478 2.496 275 HE ARG 38 HE ARG 38 -6.635 -4.241 1.153 276 1HH1 ARG 38 2HH1 ARG 38 -8.924 -1.613 1.206 277 2HH1 ARG 38 1HH1 ARG 38 -7.792 -0.441 0.614 278 1HH2 ARG 38 2HH2 ARG 38 -5.119 -2.706 0.383 279 2HH2 ARG 38 1HH2 ARG 38 -5.624 -1.059 0.137 280 H GLU 39 H GLU 39 -12.591 -3.027 1.448 281 HA GLU 39 HA GLU 39 -12.122 -0.251 0.907 282 1HB GLU 39 2HB GLU 39 -13.623 0.173 2.660 283 2HB GLU 39 1HB GLU 39 -14.183 -1.353 1.992 284 1HG GLU 39 2HG GLU 39 -12.277 -1.426 4.267 285 2HG GLU 39 1HG GLU 39 -13.955 -0.988 4.578 286 H LYS 40 H LYS 40 -11.482 1.140 2.954 287 HA LYS 40 HA LYS 40 -8.737 0.448 3.509 288 1HB LYS 40 2HB LYS 40 -9.660 2.793 3.058 289 2HB LYS 40 1HB LYS 40 -10.266 2.752 4.709 290 1HG LYS 40 2HG LYS 40 -8.227 3.044 5.605 291 2HG LYS 40 1HG LYS 40 -7.436 2.040 4.388 292 1HD LYS 40 2HD LYS 40 -8.091 4.089 2.834 293 2HD LYS 40 1HD LYS 40 -8.028 4.949 4.371 294 1HE LYS 40 2HE LYS 40 -5.810 3.196 3.338 295 2HE LYS 40 1HE LYS 40 -5.884 4.938 3.076 296 1HZ LYS 40 1HZ LYS 40 -5.989 3.766 5.793 297 2HZ LYS 40 2HZ LYS 40 -5.622 5.359 5.342 298 3HZ LYS 40 3HZ LYS 40 -4.519 4.111 5.027 299 H THR 41 H THR 41 -9.972 -1.537 4.539 300 HA THR 41 HA THR 41 -10.586 -1.119 7.334 301 HB THR 41 HB THR 41 -10.994 -3.264 5.386 302 HG1 THR 41 1HG THR 41 -12.929 -2.905 6.110 303 1HG2 THR 41 1HG2 THR 41 -11.029 -5.110 6.901 304 2HG2 THR 41 2HG2 THR 41 -10.600 -4.071 8.262 305 3HG2 THR 41 3HG2 THR 41 -9.423 -4.384 6.983 306 H THR 42 H THR 42 -9.032 -1.037 8.796 307 HA THR 42 HA THR 42 -6.554 -2.529 8.283 308 HB THR 42 HB THR 42 -6.361 -0.212 10.100 309 HG1 THR 42 1HG THR 42 -7.723 0.215 7.970 310 1HG2 THR 42 1HG2 THR 42 -4.517 -0.161 7.939 311 2HG2 THR 42 2HG2 THR 42 -4.676 -1.837 8.464 312 3HG2 THR 42 3HG2 THR 42 -4.214 -0.589 9.622 313 H GLY 43 H GLY 43 -9.123 -3.062 9.797 314 1HA GLY 43 1HA GLY 43 -8.232 -3.355 12.534 315 2HA GLY 43 2HA GLY 43 -9.756 -3.929 11.861 316 HA PRO 44 HA PRO 44 -6.219 -7.246 11.999 317 1HB PRO 44 2HB PRO 44 -7.062 -7.908 14.742 318 2HB PRO 44 1HB PRO 44 -5.437 -7.708 14.085 319 1HG PRO 44 2HG PRO 44 -6.511 -5.900 15.749 320 2HG PRO 44 1HG PRO 44 -5.435 -5.425 14.419 321 1HD PRO 44 2HD PRO 44 -8.424 -5.290 14.582 322 2HD PRO 44 1HD PRO 44 -7.279 -4.106 13.917 323 H ILE 45 H ILE 45 -7.471 -8.388 10.583 324 HA ILE 45 HA ILE 45 -9.455 -10.197 11.776 325 HB ILE 45 HB ILE 45 -10.686 -10.040 9.521 326 1HG1 ILE 45 2HG1 ILE 45 -10.158 -7.258 9.143 327 1HG2 ILE 45 1HG2 ILE 45 -11.174 -8.933 11.918 328 2HG2 ILE 45 2HG2 ILE 45 -11.088 -7.476 10.923 329 3HG2 ILE 45 3HG2 ILE 45 -12.245 -8.751 10.526 330 1HD1 ILE 45 1HD1 ILE 45 -9.201 -8.307 6.906 331 2HD1 ILE 45 2HD1 ILE 45 -10.089 -9.708 7.499 332 3HD1 ILE 45 3HD1 ILE 45 -10.929 -8.180 7.234 Start of MODEL 7 1 1H GLY 1 1H GLY 1 13.560 15.144 1.043 2 2H GLY 1 2H GLY 1 12.806 14.244 -0.177 3 3H GLY 1 3H GLY 1 12.646 15.934 -0.146 4 1HA GLY 1 2HA GLY 1 15.333 14.780 -0.326 5 2HA GLY 1 1HA GLY 1 14.324 14.799 -1.767 6 H SER 2 H SER 2 16.792 16.349 -0.641 7 HA SER 2 HA SER 2 16.051 19.053 -0.391 8 1HB SER 2 2HB SER 2 18.661 18.927 -1.471 9 2HB SER 2 1HB SER 2 18.206 19.088 0.228 10 HG SER 2 HG SER 2 18.430 16.947 0.523 11 H MET 3 H MET 3 15.197 20.319 -1.871 12 HA MET 3 HA MET 3 14.839 21.465 -3.794 13 1HB MET 3 2HB MET 3 17.208 21.575 -4.189 14 2HB MET 3 1HB MET 3 17.240 19.921 -4.780 15 1HG MET 3 2HG MET 3 15.396 21.569 -6.285 16 2HG MET 3 1HG MET 3 17.034 22.224 -6.293 17 1HE MET 3 1HE MET 3 19.293 20.133 -7.221 18 2HE MET 3 2HE MET 3 18.757 20.517 -8.857 19 3HE MET 3 3HE MET 3 18.653 21.736 -7.586 20 H SER 4 H SER 4 15.628 18.068 -4.535 21 HA SER 4 HA SER 4 13.656 17.969 -6.631 22 1HB SER 4 2HB SER 4 14.613 15.373 -5.788 23 2HB SER 4 1HB SER 4 14.887 16.223 -7.311 24 HG SER 4 HG SER 4 16.668 17.187 -6.463 25 H THR 5 H THR 5 11.816 18.585 -5.250 26 HA THR 5 HA THR 5 10.871 16.651 -3.336 27 HB THR 5 HB THR 5 8.920 18.600 -4.353 28 HG1 THR 5 1HG THR 5 11.115 19.611 -2.851 29 1HG2 THR 5 1HG2 THR 5 10.004 18.263 -1.562 30 2HG2 THR 5 2HG2 THR 5 8.804 17.164 -2.242 31 3HG2 THR 5 3HG2 THR 5 8.429 18.877 -2.056 32 H LYS 6 H LYS 6 11.063 16.448 -6.549 33 HA LYS 6 HA LYS 6 8.496 15.189 -7.022 34 1HB LYS 6 2HB LYS 6 9.801 16.450 -8.797 35 2HB LYS 6 1HB LYS 6 10.949 15.120 -8.786 36 1HG LYS 6 2HG LYS 6 9.358 14.936 -10.626 37 2HG LYS 6 1HG LYS 6 9.217 13.579 -9.508 38 1HD LYS 6 2HD LYS 6 7.274 14.646 -8.465 39 2HD LYS 6 1HD LYS 6 7.426 16.009 -9.577 40 1HE LYS 6 2HE LYS 6 7.274 14.160 -11.412 41 2HE LYS 6 1HE LYS 6 6.553 13.200 -10.121 42 1HZ LYS 6 1HZ LYS 6 4.647 14.195 -10.617 43 2HZ LYS 6 2HZ LYS 6 5.403 15.294 -11.667 44 3HZ LYS 6 3HZ LYS 6 5.292 15.644 -10.014 45 H ASN 7 H ASN 7 8.994 13.811 -5.053 46 HA ASN 7 HA ASN 7 10.938 11.688 -5.603 47 1HB ASN 7 2HB ASN 7 10.256 13.166 -3.265 48 2HB ASN 7 1HB ASN 7 9.876 11.471 -2.969 49 1HD2 ASN 7 1HD2 ASN 7 12.418 13.688 -3.961 50 2HD2 ASN 7 2HD2 ASN 7 13.742 12.680 -3.483 51 H PHE 8 H PHE 8 9.670 9.969 -3.573 52 HA PHE 8 HA PHE 8 7.975 8.553 -5.427 53 1HB PHE 8 2HB PHE 8 9.219 7.806 -2.780 54 2HB PHE 8 1HB PHE 8 8.122 6.747 -3.659 55 HD1 PHE 8 1HD PHE 8 11.468 8.173 -3.526 56 HD2 PHE 8 2HD PHE 8 8.802 5.713 -5.750 57 HE1 PHE 8 1HE PHE 8 13.365 7.284 -4.812 58 HE2 PHE 8 2HE PHE 8 10.697 4.820 -7.040 59 HZ PHE 8 HZ PHE 8 12.979 5.606 -6.568 60 H ARG 9 H ARG 9 5.888 8.817 -5.381 61 HA ARG 9 HA ARG 9 4.454 9.776 -3.084 62 1HB ARG 9 2HB ARG 9 3.653 8.809 -5.807 63 2HB ARG 9 1HB ARG 9 2.437 8.999 -4.552 64 1HG ARG 9 2HG ARG 9 2.284 11.138 -5.087 65 2HG ARG 9 1HG ARG 9 3.941 11.364 -4.527 66 1HD ARG 9 2HD ARG 9 3.247 12.023 -6.971 67 2HD ARG 9 1HD ARG 9 4.813 11.282 -6.646 68 HE ARG 9 HE ARG 9 4.054 9.273 -7.600 69 1HH1 ARG 9 2HH1 ARG 9 1.627 11.812 -7.697 70 2HH1 ARG 9 1HH1 ARG 9 0.621 10.976 -8.842 71 1HH2 ARG 9 2HH2 ARG 9 2.702 8.170 -9.094 72 2HH2 ARG 9 1HH2 ARG 9 1.216 8.904 -9.614 73 H VAL 10 H VAL 10 5.408 8.093 -1.710 74 HA VAL 10 HA VAL 10 3.559 5.886 -1.376 75 HB VAL 10 HB VAL 10 5.400 5.058 -2.902 76 1HG1 VAL 10 1HG1 VAL 10 7.553 5.277 -2.425 77 2HG1 VAL 10 2HG1 VAL 10 7.079 6.317 -1.083 78 3HG1 VAL 10 3HG1 VAL 10 7.337 4.593 -0.814 79 1HG2 VAL 10 1HG2 VAL 10 3.998 3.673 -1.225 80 2HG2 VAL 10 2HG2 VAL 10 5.402 2.934 -1.995 81 3HG2 VAL 10 3HG2 VAL 10 5.514 3.528 -0.338 82 H SER 11 H SER 11 4.280 8.360 -0.095 83 HA SER 11 HA SER 11 5.706 7.560 2.346 84 1HB SER 11 2HB SER 11 5.607 10.178 2.624 85 2HB SER 11 1HB SER 11 6.776 9.453 1.519 86 HG SER 11 HG SER 11 4.254 10.025 0.460 87 H ASP 12 H ASP 12 4.482 10.078 3.550 88 HA ASP 12 HA ASP 12 1.995 8.960 4.504 89 1HB ASP 12 2HB ASP 12 1.880 11.021 5.885 90 2HB ASP 12 1HB ASP 12 3.382 10.139 6.116 91 H GLY 13 H GLY 13 -0.023 10.201 4.369 92 1HA GLY 13 1HA GLY 13 -1.547 11.458 3.108 93 2HA GLY 13 2HA GLY 13 -0.250 11.913 2.012 94 H ASP 14 H ASP 14 0.786 9.562 1.350 95 HA ASP 14 HA ASP 14 -1.308 8.216 -0.170 96 1HB ASP 14 2HB ASP 14 1.404 7.158 -0.474 97 2HB ASP 14 1HB ASP 14 0.294 7.748 -1.703 98 H TRP 15 H TRP 15 -0.803 5.693 -0.321 99 HA TRP 15 HA TRP 15 0.291 4.524 2.044 100 1HB TRP 15 2HB TRP 15 -1.714 3.451 2.897 101 2HB TRP 15 1HB TRP 15 -1.931 5.195 2.901 102 HD1 TRP 15 HD TRP 15 -3.576 6.192 0.927 103 HE1 TRP 15 1HE TRP 15 -5.661 5.131 -0.141 104 HE3 TRP 15 3HE TRP 15 -2.757 1.310 2.189 105 HZ2 TRP 15 2HZ TRP 15 -6.822 2.561 -0.411 106 HZ3 TRP 15 3HZ TRP 15 -4.379 -0.391 1.492 107 HH2 TRP 15 HH TRP 15 -6.377 0.206 0.183 108 H ILE 16 H ILE 16 0.718 2.359 1.809 109 HA ILE 16 HA ILE 16 0.007 1.145 -0.751 110 HB ILE 16 HB ILE 16 1.615 -0.632 -0.133 111 1HG1 ILE 16 2HG1 ILE 16 3.074 0.764 1.900 112 1HG2 ILE 16 1HG2 ILE 16 3.496 1.469 0.142 113 2HG2 ILE 16 2HG2 ILE 16 3.056 0.565 -1.307 114 3HG2 ILE 16 3HG2 ILE 16 2.180 2.036 -0.886 115 1HD1 ILE 16 1HD1 ILE 16 3.069 -1.712 1.355 116 2HD1 ILE 16 2HD1 ILE 16 3.062 -1.263 3.061 117 3HD1 ILE 16 3HD1 ILE 16 1.571 -1.799 2.283 118 H CYS 17 H CYS 17 -0.779 -1.074 -0.710 119 HA CYS 17 HA CYS 17 -3.115 -1.338 0.654 120 1HB CYS 17 2HB CYS 17 -1.304 -3.239 -0.726 121 2HB CYS 17 1HB CYS 17 -2.663 -3.892 0.178 122 HA PRO 18 HA PRO 18 -2.317 -1.912 4.731 123 1HB PRO 18 2HB PRO 18 -4.569 -3.717 5.135 124 2HB PRO 18 1HB PRO 18 -4.375 -2.035 5.630 125 1HG PRO 18 2HG PRO 18 -6.080 -2.780 3.680 126 2HG PRO 18 1HG PRO 18 -5.228 -1.219 3.666 127 1HD PRO 18 2HD PRO 18 -4.597 -3.727 2.151 128 2HD PRO 18 1HD PRO 18 -4.559 -2.040 1.602 129 H ASP 19 H ASP 19 -2.803 -4.993 3.091 130 HA ASP 19 HA ASP 19 -1.418 -6.322 5.327 131 1HB ASP 19 2HB ASP 19 -3.894 -6.920 4.794 132 2HB ASP 19 1HB ASP 19 -3.214 -7.810 3.434 133 H LYS 20 H LYS 20 -0.462 -8.485 4.574 134 HA LYS 20 HA LYS 20 1.530 -7.840 2.594 135 1HB LYS 20 2HB LYS 20 2.421 -10.123 3.192 136 2HB LYS 20 1HB LYS 20 2.311 -8.994 4.535 137 1HG LYS 20 2HG LYS 20 -0.128 -10.331 4.531 138 2HG LYS 20 1HG LYS 20 1.075 -11.574 4.184 139 1HD LYS 20 2HD LYS 20 1.155 -11.622 6.463 140 2HD LYS 20 1HD LYS 20 2.351 -10.359 6.172 141 1HE LYS 20 2HE LYS 20 1.048 -9.360 7.780 142 2HE LYS 20 1HE LYS 20 0.274 -8.775 6.308 143 1HZ LYS 20 1HZ LYS 20 -0.789 -11.282 7.239 144 2HZ LYS 20 2HZ LYS 20 -1.600 -9.861 6.786 145 3HZ LYS 20 3HZ LYS 20 -0.980 -10.020 8.358 146 H LYS 21 H LYS 21 -1.388 -9.696 2.801 147 HA LYS 21 HA LYS 21 -1.022 -11.244 0.429 148 1HB LYS 21 2HB LYS 21 -3.619 -10.382 1.720 149 2HB LYS 21 1HB LYS 21 -3.401 -11.719 0.595 150 1HG LYS 21 2HG LYS 21 -1.679 -11.928 2.925 151 2HG LYS 21 1HG LYS 21 -3.394 -11.871 3.342 152 1HD LYS 21 2HD LYS 21 -3.833 -13.872 2.369 153 2HD LYS 21 1HD LYS 21 -2.645 -13.632 1.085 154 1HE LYS 21 2HE LYS 21 -1.450 -13.881 3.733 155 2HE LYS 21 1HE LYS 21 -2.373 -15.306 3.250 156 1HZ LYS 21 1HZ LYS 21 -1.068 -15.051 1.051 157 2HZ LYS 21 2HZ LYS 21 -0.292 -15.730 2.394 158 3HZ LYS 21 3HZ LYS 21 0.005 -14.116 1.976 159 H CYS 22 H CYS 22 -1.714 -8.004 1.057 160 HA CYS 22 HA CYS 22 -2.771 -7.476 -1.610 161 1HB CYS 22 2HB CYS 22 -2.704 -6.082 0.997 162 2HB CYS 22 1HB CYS 22 -2.498 -5.052 -0.413 163 H GLY 23 H GLY 23 -0.693 -5.376 0.249 164 1HA GLY 23 1HA GLY 23 1.442 -4.606 -0.016 165 2HA GLY 23 2HA GLY 23 1.776 -6.024 -0.995 166 H ASN 24 H ASN 24 -0.841 -4.129 -2.076 167 HA ASN 24 HA ASN 24 0.579 -3.474 -4.485 168 1HB ASN 24 2HB ASN 24 -1.603 -4.153 -4.898 169 2HB ASN 24 1HB ASN 24 -2.243 -3.315 -3.502 170 1HD2 ASN 24 1HD2 ASN 24 -2.795 -1.201 -3.633 171 2HD2 ASN 24 2HD2 ASN 24 -2.902 -0.345 -5.135 172 H VAL 25 H VAL 25 0.831 -1.376 -5.355 173 HA VAL 25 HA VAL 25 1.030 0.750 -3.370 174 HB VAL 25 HB VAL 25 1.990 2.021 -5.424 175 1HG1 VAL 25 1HG1 VAL 25 3.621 -0.280 -4.384 176 2HG1 VAL 25 2HG1 VAL 25 4.173 1.332 -4.845 177 3HG1 VAL 25 3HG1 VAL 25 3.198 1.116 -3.393 178 1HG2 VAL 25 1HG2 VAL 25 1.852 -0.785 -6.425 179 2HG2 VAL 25 2HG2 VAL 25 1.596 0.732 -7.288 180 3HG2 VAL 25 3HG2 VAL 25 3.232 0.218 -6.874 181 H ASN 26 H ASN 26 -0.786 1.827 -3.020 182 HA ASN 26 HA ASN 26 -2.809 1.988 -5.097 183 1HB ASN 26 2HB ASN 26 -3.147 3.225 -2.384 184 2HB ASN 26 1HB ASN 26 -4.346 2.445 -3.412 185 1HD2 ASN 26 1HD2 ASN 26 -4.951 0.472 -2.805 186 2HD2 ASN 26 2HD2 ASN 26 -4.025 -0.623 -1.826 187 H PHE 27 H PHE 27 -4.093 4.141 -5.046 188 HA PHE 27 HA PHE 27 -2.523 6.146 -6.196 189 1HB PHE 27 2HB PHE 27 -4.988 5.724 -6.541 190 2HB PHE 27 1HB PHE 27 -5.279 6.492 -4.996 191 HD1 PHE 27 1HD PHE 27 -5.788 8.737 -4.966 192 HD2 PHE 27 2HD PHE 27 -3.564 7.162 -8.239 193 HE1 PHE 27 1HE PHE 27 -5.894 10.925 -6.088 194 HE2 PHE 27 2HE PHE 27 -3.665 9.349 -9.362 195 HZ PHE 27 HZ PHE 27 -4.831 11.231 -8.289 196 H ALA 28 H ALA 28 -4.622 7.103 -3.573 197 HA ALA 28 HA ALA 28 -2.802 7.652 -1.554 198 1HB ALA 28 1HB ALA 28 -2.310 9.956 -1.734 199 2HB ALA 28 2HB ALA 28 -1.926 9.275 -3.317 200 3HB ALA 28 3HB ALA 28 -3.429 10.171 -3.082 201 H ARG 29 H ARG 29 -5.334 9.593 -3.129 202 HA ARG 29 HA ARG 29 -6.866 9.782 -0.699 203 1HB ARG 29 2HB ARG 29 -7.334 10.682 -3.536 204 2HB ARG 29 1HB ARG 29 -8.580 10.830 -2.306 205 1HG ARG 29 2HG ARG 29 -5.912 12.197 -2.427 206 2HG ARG 29 1HG ARG 29 -7.519 12.923 -2.415 207 1HD ARG 29 2HD ARG 29 -7.699 12.795 -0.169 208 2HD ARG 29 1HD ARG 29 -6.878 11.235 -0.090 209 HE ARG 29 HE ARG 29 -5.574 13.878 -0.195 210 1HH1 ARG 29 2HH1 ARG 29 -5.493 10.451 0.535 211 2HH1 ARG 29 1HH1 ARG 29 -3.832 10.468 1.055 212 1HH2 ARG 29 2HH2 ARG 29 -3.378 13.906 0.508 213 2HH2 ARG 29 1HH2 ARG 29 -2.641 12.426 1.032 214 H ARG 30 H ARG 30 -6.634 7.229 -0.887 215 HA ARG 30 HA ARG 30 -9.180 6.242 -1.988 216 1HB ARG 30 2HB ARG 30 -6.415 5.167 -2.222 217 2HB ARG 30 1HB ARG 30 -7.712 4.001 -2.007 218 1HG ARG 30 2HG ARG 30 -7.920 6.107 -4.108 219 2HG ARG 30 1HG ARG 30 -6.956 4.654 -4.386 220 1HD ARG 30 2HD ARG 30 -8.825 3.241 -4.116 221 2HD ARG 30 1HD ARG 30 -9.810 4.541 -3.446 222 HE ARG 30 HE ARG 30 -9.249 4.015 -6.245 223 1HH1 ARG 30 2HH1 ARG 30 -10.453 6.297 -3.873 224 2HH1 ARG 30 1HH1 ARG 30 -11.365 7.218 -5.021 225 1HH2 ARG 30 2HH2 ARG 30 -10.438 5.246 -7.774 226 2HH2 ARG 30 1HH2 ARG 30 -11.378 6.610 -7.233 227 H THR 31 H THR 31 -10.484 5.362 -0.472 228 HA THR 31 HA THR 31 -9.317 4.523 2.069 229 HB THR 31 HB THR 31 -12.145 4.066 1.954 230 HG1 THR 31 1HG THR 31 -12.524 6.502 1.656 231 1HG2 THR 31 1HG2 THR 31 -12.026 6.051 3.632 232 2HG2 THR 31 2HG2 THR 31 -10.280 5.876 3.447 233 3HG2 THR 31 3HG2 THR 31 -11.245 4.526 4.043 234 H SER 32 H SER 32 -9.909 3.261 -0.874 235 HA SER 32 HA SER 32 -9.988 0.536 0.198 236 1HB SER 32 2HB SER 32 -11.251 1.207 -2.450 237 2HB SER 32 1HB SER 32 -11.526 -0.195 -1.417 238 HG SER 32 HG SER 32 -12.800 0.982 -0.105 239 H CYS 33 H CYS 33 -9.097 -1.058 -1.465 240 HA CYS 33 HA CYS 33 -6.506 -0.428 -2.093 241 1HB CYS 33 2HB CYS 33 -8.371 -2.536 -3.134 242 2HB CYS 33 1HB CYS 33 -6.676 -2.458 -3.512 243 H ASP 34 H ASP 34 -5.521 -0.705 -4.265 244 HA ASP 34 HA ASP 34 -6.866 1.033 -6.205 245 1HB ASP 34 2HB ASP 34 -4.428 1.357 -5.275 246 2HB ASP 34 1HB ASP 34 -4.026 0.131 -6.472 247 H ARG 35 H ARG 35 -5.277 -2.107 -5.892 248 HA ARG 35 HA ARG 35 -6.116 -2.781 -8.630 249 1HB ARG 35 2HB ARG 35 -3.941 -3.798 -6.839 250 2HB ARG 35 1HB ARG 35 -4.552 -4.815 -8.131 251 1HG ARG 35 2HG ARG 35 -2.698 -2.599 -8.225 252 2HG ARG 35 1HG ARG 35 -3.006 -3.873 -9.396 253 1HD ARG 35 2HD ARG 35 -3.991 -2.399 -10.728 254 2HD ARG 35 1HD ARG 35 -5.202 -2.087 -9.489 255 HE ARG 35 HE ARG 35 -4.191 -0.088 -9.060 256 1HH1 ARG 35 2HH1 ARG 35 -1.897 -2.122 -10.775 257 2HH1 ARG 35 1HH1 ARG 35 -0.668 -0.889 -10.835 258 1HH2 ARG 35 2HH2 ARG 35 -2.596 1.514 -9.147 259 2HH2 ARG 35 1HH2 ARG 35 -1.057 1.181 -9.902 260 H CYS 36 H CYS 36 -6.044 -4.062 -5.331 261 HA CYS 36 HA CYS 36 -7.362 -6.494 -5.998 262 1HB CYS 36 2HB CYS 36 -7.370 -5.748 -3.205 263 2HB CYS 36 1HB CYS 36 -6.497 -7.051 -4.013 264 H GLY 37 H GLY 37 -8.404 -3.545 -4.307 265 1HA GLY 37 1HA GLY 37 -10.572 -2.636 -4.424 266 2HA GLY 37 2HA GLY 37 -11.156 -4.172 -5.045 267 H ARG 38 H ARG 38 -9.186 -3.719 -2.172 268 HA ARG 38 HA ARG 38 -11.354 -4.843 -0.542 269 1HB ARG 38 2HB ARG 38 -8.494 -4.375 0.258 270 2HB ARG 38 1HB ARG 38 -9.684 -5.397 1.054 271 1HG ARG 38 2HG ARG 38 -9.673 -6.551 -1.355 272 2HG ARG 38 1HG ARG 38 -8.025 -5.913 -1.328 273 1HD ARG 38 2HD ARG 38 -8.577 -7.046 1.198 274 2HD ARG 38 1HD ARG 38 -9.069 -8.206 -0.037 275 HE ARG 38 HE ARG 38 -6.370 -6.983 0.035 276 1HH1 ARG 38 2HH1 ARG 38 -8.465 -9.772 -0.259 277 2HH1 ARG 38 1HH1 ARG 38 -7.188 -10.852 -0.722 278 1HH2 ARG 38 2HH2 ARG 38 -4.693 -8.363 -0.573 279 2HH2 ARG 38 1HH2 ARG 38 -5.021 -10.038 -0.909 280 H GLU 39 H GLU 39 -11.484 -3.876 1.723 281 HA GLU 39 HA GLU 39 -11.322 -0.967 1.568 282 1HB GLU 39 2HB GLU 39 -12.446 -2.799 3.707 283 2HB GLU 39 1HB GLU 39 -12.473 -1.042 3.784 284 1HG GLU 39 2HG GLU 39 -13.654 -2.378 1.406 285 2HG GLU 39 1HG GLU 39 -14.543 -2.414 2.929 286 H LYS 40 H LYS 40 -10.103 0.263 3.074 287 HA LYS 40 HA LYS 40 -7.538 -0.683 3.589 288 1HB LYS 40 2HB LYS 40 -8.328 1.733 3.462 289 2HB LYS 40 1HB LYS 40 -8.843 1.552 5.134 290 1HG LYS 40 2HG LYS 40 -6.674 1.361 5.919 291 2HG LYS 40 1HG LYS 40 -6.037 0.899 4.339 292 1HD LYS 40 2HD LYS 40 -5.392 3.032 4.156 293 2HD LYS 40 1HD LYS 40 -7.095 3.394 3.872 294 1HE LYS 40 2HE LYS 40 -5.731 4.662 5.723 295 2HE LYS 40 1HE LYS 40 -7.416 4.211 5.984 296 1HZ LYS 40 1HZ LYS 40 -5.120 2.546 6.880 297 2HZ LYS 40 2HZ LYS 40 -6.751 2.365 7.301 298 3HZ LYS 40 3HZ LYS 40 -5.877 3.703 7.864 299 H THR 41 H THR 41 -7.272 -2.476 4.768 300 HA THR 41 HA THR 41 -8.674 -3.118 7.129 301 HB THR 41 HB THR 41 -6.048 -4.315 6.977 302 HG1 THR 41 1HG THR 41 -6.573 -5.369 4.897 303 1HG2 THR 41 1HG2 THR 41 -7.217 -6.125 7.565 304 2HG2 THR 41 2HG2 THR 41 -8.339 -5.934 6.215 305 3HG2 THR 41 3HG2 THR 41 -8.595 -5.036 7.713 306 H THR 42 H THR 42 -8.586 -1.792 8.834 307 HA THR 42 HA THR 42 -5.945 -1.191 9.948 308 HB THR 42 HB THR 42 -7.997 0.903 10.363 309 HG1 THR 42 1HG THR 42 -7.878 0.172 7.982 310 1HG2 THR 42 1HG2 THR 42 -5.265 0.600 10.781 311 2HG2 THR 42 2HG2 THR 42 -6.192 2.094 10.931 312 3HG2 THR 42 3HG2 THR 42 -5.377 1.710 9.414 313 H GLY 43 H GLY 43 -5.935 -2.367 11.743 314 1HA GLY 43 1HA GLY 43 -7.213 -1.954 14.058 315 2HA GLY 43 2HA GLY 43 -8.410 -2.894 13.178 316 HA PRO 44 HA PRO 44 -6.289 -6.634 14.282 317 1HB PRO 44 2HB PRO 44 -6.506 -7.692 11.560 318 2HB PRO 44 1HB PRO 44 -7.301 -8.241 13.038 319 1HG PRO 44 2HG PRO 44 -8.656 -7.013 11.056 320 2HG PRO 44 1HG PRO 44 -9.091 -6.815 12.762 321 1HD PRO 44 2HD PRO 44 -7.547 -4.968 10.977 322 2HD PRO 44 1HD PRO 44 -8.811 -4.588 12.167 323 H ILE 45 H ILE 45 -4.228 -7.347 14.380 324 HA ILE 45 HA ILE 45 -2.395 -6.580 12.214 325 HB ILE 45 HB ILE 45 -2.130 -5.116 14.226 326 1HG1 ILE 45 2HG1 ILE 45 0.438 -5.984 14.515 327 1HG2 ILE 45 1HG2 ILE 45 -1.969 -5.905 16.294 328 2HG2 ILE 45 2HG2 ILE 45 -2.402 -7.483 15.636 329 3HG2 ILE 45 3HG2 ILE 45 -0.705 -7.046 15.833 330 1HD1 ILE 45 1HD1 ILE 45 0.098 -3.840 13.643 331 2HD1 ILE 45 2HD1 ILE 45 0.927 -4.734 12.368 332 3HD1 ILE 45 3HD1 ILE 45 -0.810 -4.458 12.264 Start of MODEL 8 1 1H GLY 1 1H GLY 1 4.945 -1.581 12.039 2 2H GLY 1 2H GLY 1 4.770 -3.070 12.826 3 3H GLY 1 3H GLY 1 5.024 -1.656 13.730 4 1HA GLY 1 2HA GLY 1 2.883 -0.788 12.885 5 2HA GLY 1 1HA GLY 1 2.621 -2.363 12.152 6 H SER 2 H SER 2 2.844 -4.252 13.724 7 HA SER 2 HA SER 2 0.977 -3.833 15.828 8 1HB SER 2 2HB SER 2 2.607 -6.330 15.692 9 2HB SER 2 1HB SER 2 0.876 -6.130 15.972 10 HG SER 2 HG SER 2 0.631 -5.614 13.765 11 H MET 3 H MET 3 4.469 -4.544 15.790 12 HA MET 3 HA MET 3 4.645 -4.496 18.664 13 1HB MET 3 2HB MET 3 7.229 -4.139 17.596 14 2HB MET 3 1HB MET 3 6.527 -5.623 18.223 15 1HG MET 3 2HG MET 3 7.361 -6.107 16.068 16 2HG MET 3 1HG MET 3 5.606 -6.045 15.933 17 1HE MET 3 1HE MET 3 7.966 -4.510 12.830 18 2HE MET 3 2HE MET 3 8.918 -4.721 14.299 19 3HE MET 3 3HE MET 3 7.843 -6.007 13.752 20 H SER 4 H SER 4 6.528 -2.566 16.355 21 HA SER 4 HA SER 4 6.228 -0.226 18.066 22 1HB SER 4 2HB SER 4 7.702 0.521 15.832 23 2HB SER 4 1HB SER 4 8.371 -0.005 17.379 24 HG SER 4 HG SER 4 9.235 -1.510 16.163 25 H THR 5 H THR 5 5.199 1.687 17.365 26 HA THR 5 HA THR 5 2.999 1.181 15.583 27 HB THR 5 HB THR 5 3.217 3.946 16.397 28 HG1 THR 5 1HG THR 5 3.300 1.976 18.475 29 1HG2 THR 5 1HG2 THR 5 1.290 1.820 16.238 30 2HG2 THR 5 2HG2 THR 5 1.018 3.558 16.365 31 3HG2 THR 5 3HG2 THR 5 1.202 2.587 17.823 32 H LYS 6 H LYS 6 5.798 1.433 14.482 33 HA LYS 6 HA LYS 6 5.427 3.676 12.638 34 1HB LYS 6 2HB LYS 6 7.705 2.372 13.813 35 2HB LYS 6 1HB LYS 6 7.815 2.277 12.060 36 1HG LYS 6 2HG LYS 6 7.692 4.655 11.858 37 2HG LYS 6 1HG LYS 6 7.357 4.834 13.582 38 1HD LYS 6 2HD LYS 6 9.579 3.806 14.055 39 2HD LYS 6 1HD LYS 6 9.902 3.821 12.317 40 1HE LYS 6 2HE LYS 6 9.324 6.347 12.502 41 2HE LYS 6 1HE LYS 6 9.649 6.115 14.221 42 1HZ LYS 6 1HZ LYS 6 11.495 6.595 12.243 43 2HZ LYS 6 2HZ LYS 6 11.693 4.952 12.616 44 3HZ LYS 6 3HZ LYS 6 11.823 6.117 13.838 45 H ASN 7 H ASN 7 4.144 3.131 10.985 46 HA ASN 7 HA ASN 7 4.365 0.430 9.867 47 1HB ASN 7 2HB ASN 7 2.209 2.455 10.006 48 2HB ASN 7 1HB ASN 7 2.283 1.509 8.522 49 1HD2 ASN 7 1HD2 ASN 7 0.746 1.664 11.306 50 2HD2 ASN 7 2HD2 ASN 7 0.463 -0.021 11.625 51 H PHE 8 H PHE 8 4.124 0.298 7.452 52 HA PHE 8 HA PHE 8 6.219 1.866 6.278 53 1HB PHE 8 2HB PHE 8 5.334 -0.678 5.870 54 2HB PHE 8 1HB PHE 8 4.610 0.153 4.498 55 HD1 PHE 8 1HD PHE 8 5.886 0.706 2.619 56 HD2 PHE 8 2HD PHE 8 7.828 -0.480 6.215 57 HE1 PHE 8 1HE PHE 8 8.033 0.600 1.424 58 HE2 PHE 8 2HE PHE 8 9.978 -0.586 5.024 59 HZ PHE 8 HZ PHE 8 10.081 -0.046 2.625 60 H ARG 9 H ARG 9 5.179 3.950 6.449 61 HA ARG 9 HA ARG 9 3.114 4.443 4.431 62 1HB ARG 9 2HB ARG 9 2.973 5.441 6.774 63 2HB ARG 9 1HB ARG 9 4.327 6.465 6.318 64 1HG ARG 9 2HG ARG 9 2.486 7.811 5.921 65 2HG ARG 9 1HG ARG 9 2.856 7.160 4.323 66 1HD ARG 9 2HD ARG 9 1.111 5.515 4.535 67 2HD ARG 9 1HD ARG 9 0.805 6.001 6.202 68 HE ARG 9 HE ARG 9 0.165 7.590 3.805 69 1HH1 ARG 9 2HH1 ARG 9 -0.203 6.959 7.230 70 2HH1 ARG 9 1HH1 ARG 9 -1.553 8.038 7.419 71 1HH2 ARG 9 2HH2 ARG 9 -1.623 9.018 4.047 72 2HH2 ARG 9 1HH2 ARG 9 -2.361 9.195 5.610 73 H VAL 10 H VAL 10 3.702 5.047 2.462 74 HA VAL 10 HA VAL 10 6.364 5.511 1.686 75 HB VAL 10 HB VAL 10 3.942 6.437 0.140 76 1HG1 VAL 10 1HG1 VAL 10 6.222 7.057 -0.666 77 2HG1 VAL 10 2HG1 VAL 10 6.569 5.337 -0.840 78 3HG1 VAL 10 3HG1 VAL 10 5.291 6.080 -1.802 79 1HG2 VAL 10 1HG2 VAL 10 4.472 3.804 1.041 80 2HG2 VAL 10 2HG2 VAL 10 3.213 4.352 -0.070 81 3HG2 VAL 10 3HG2 VAL 10 4.785 3.850 -0.695 82 H SER 11 H SER 11 7.570 7.302 1.683 83 HA SER 11 HA SER 11 6.732 9.593 3.071 84 1HB SER 11 2HB SER 11 9.039 10.150 1.475 85 2HB SER 11 1HB SER 11 8.946 9.861 3.214 86 HG SER 11 HG SER 11 10.277 8.330 2.080 87 H ASP 12 H ASP 12 6.290 8.691 -0.088 88 HA ASP 12 HA ASP 12 6.190 11.276 -1.315 89 1HB ASP 12 2HB ASP 12 6.146 8.637 -2.222 90 2HB ASP 12 1HB ASP 12 4.550 9.263 -2.624 91 H GLY 13 H GLY 13 4.089 9.420 0.649 92 1HA GLY 13 1HA GLY 13 2.289 10.645 1.732 93 2HA GLY 13 2HA GLY 13 1.944 11.391 0.180 94 H ASP 14 H ASP 14 2.593 8.473 -0.808 95 HA ASP 14 HA ASP 14 -0.194 7.752 -0.987 96 1HB ASP 14 2HB ASP 14 2.265 6.391 -2.117 97 2HB ASP 14 1HB ASP 14 0.601 5.968 -2.507 98 H TRP 15 H TRP 15 -0.816 5.419 -0.733 99 HA TRP 15 HA TRP 15 0.624 4.099 1.463 100 1HB TRP 15 2HB TRP 15 -1.403 3.543 2.612 101 2HB TRP 15 1HB TRP 15 -1.460 5.271 2.296 102 HD1 TRP 15 HD TRP 15 -2.992 5.937 0.015 103 HE1 TRP 15 1HE TRP 15 -5.246 4.946 -0.707 104 HE3 TRP 15 3HE TRP 15 -2.856 1.581 2.702 105 HZ2 TRP 15 2HZ TRP 15 -6.770 2.627 -0.213 106 HZ3 TRP 15 3HZ TRP 15 -4.759 0.027 2.533 107 HH2 TRP 15 HH TRP 15 -6.682 0.543 1.079 108 H ILE 16 H ILE 16 -0.276 1.706 1.628 109 HA ILE 16 HA ILE 16 -0.331 0.731 -1.145 110 HB ILE 16 HB ILE 16 0.620 -1.424 0.023 111 1HG1 ILE 16 2HG1 ILE 16 2.027 0.514 1.787 112 1HG2 ILE 16 1HG2 ILE 16 1.873 0.986 -1.064 113 2HG2 ILE 16 2HG2 ILE 16 2.951 -0.031 -0.109 114 3HG2 ILE 16 3HG2 ILE 16 2.099 -0.708 -1.496 115 1HD1 ILE 16 1HD1 ILE 16 2.213 -2.159 1.496 116 2HD1 ILE 16 2HD1 ILE 16 2.651 -1.284 2.963 117 3HD1 ILE 16 3HD1 ILE 16 1.068 -2.048 2.833 118 H CYS 17 H CYS 17 -0.713 -1.506 1.439 119 HA CYS 17 HA CYS 17 -3.609 -1.526 1.278 120 1HB CYS 17 2HB CYS 17 -2.548 -3.053 -0.550 121 2HB CYS 17 1HB CYS 17 -2.094 -4.093 0.793 122 HA PRO 18 HA PRO 18 -3.030 -2.389 5.565 123 1HB PRO 18 2HB PRO 18 -5.384 -4.186 5.432 124 2HB PRO 18 1HB PRO 18 -5.112 -2.763 6.442 125 1HG PRO 18 2HG PRO 18 -6.784 -2.672 4.368 126 2HG PRO 18 1HG PRO 18 -5.736 -1.293 4.765 127 1HD PRO 18 2HD PRO 18 -5.405 -3.368 2.632 128 2HD PRO 18 1HD PRO 18 -5.116 -1.618 2.555 129 H ASP 19 H ASP 19 -3.540 -5.004 3.316 130 HA ASP 19 HA ASP 19 -2.544 -7.037 5.141 131 1HB ASP 19 2HB ASP 19 -4.437 -7.351 3.398 132 2HB ASP 19 1HB ASP 19 -3.134 -7.470 2.220 133 H LYS 20 H LYS 20 -0.958 -8.668 3.896 134 HA LYS 20 HA LYS 20 1.300 -6.977 3.053 135 1HB LYS 20 2HB LYS 20 2.087 -9.575 4.076 136 2HB LYS 20 1HB LYS 20 2.630 -7.973 4.552 137 1HG LYS 20 2HG LYS 20 -0.038 -8.890 5.489 138 2HG LYS 20 1HG LYS 20 1.404 -9.572 6.243 139 1HD LYS 20 2HD LYS 20 2.018 -7.587 7.189 140 2HD LYS 20 1HD LYS 20 1.293 -6.628 5.898 141 1HE LYS 20 2HE LYS 20 -0.939 -7.624 6.883 142 2HE LYS 20 1HE LYS 20 0.042 -7.777 8.340 143 1HZ LYS 20 1HZ LYS 20 0.628 -5.289 7.645 144 2HZ LYS 20 2HZ LYS 20 -0.687 -5.680 8.648 145 3HZ LYS 20 3HZ LYS 20 -0.938 -5.386 6.995 146 H LYS 21 H LYS 21 -0.783 -9.496 2.141 147 HA LYS 21 HA LYS 21 1.072 -10.733 0.304 148 1HB LYS 21 2HB LYS 21 -0.610 -12.248 -0.208 149 2HB LYS 21 1HB LYS 21 -0.989 -11.823 1.454 150 1HG LYS 21 2HG LYS 21 -2.557 -10.058 0.361 151 2HG LYS 21 1HG LYS 21 -2.415 -11.094 -1.062 152 1HD LYS 21 2HD LYS 21 -3.506 -12.848 -0.062 153 2HD LYS 21 1HD LYS 21 -3.043 -12.349 1.566 154 1HE LYS 21 2HE LYS 21 -4.965 -11.271 1.823 155 2HE LYS 21 1HE LYS 21 -4.658 -10.317 0.373 156 1HZ LYS 21 1HZ LYS 21 -5.816 -11.798 -0.953 157 2HZ LYS 21 2HZ LYS 21 -6.746 -11.776 0.463 158 3HZ LYS 21 3HZ LYS 21 -5.696 -13.074 0.159 159 H CYS 22 H CYS 22 -1.207 -8.143 0.277 160 HA CYS 22 HA CYS 22 -1.402 -7.956 -2.588 161 1HB CYS 22 2HB CYS 22 -3.102 -7.203 -0.754 162 2HB CYS 22 1HB CYS 22 -2.118 -5.749 -0.682 163 H GLY 23 H GLY 23 -0.490 -5.384 -0.348 164 1HA GLY 23 1HA GLY 23 1.285 -3.925 -0.325 165 2HA GLY 23 2HA GLY 23 2.180 -5.096 -1.282 166 H ASN 24 H ASN 24 -0.870 -3.968 -2.417 167 HA ASN 24 HA ASN 24 0.182 -3.026 -4.868 168 1HB ASN 24 2HB ASN 24 -2.084 -3.815 -4.838 169 2HB ASN 24 1HB ASN 24 -2.523 -2.693 -3.558 170 1HD2 ASN 24 1HD2 ASN 24 -3.167 -0.675 -4.076 171 2HD2 ASN 24 2HD2 ASN 24 -3.276 -0.076 -5.693 172 H VAL 25 H VAL 25 0.815 -1.032 -5.514 173 HA VAL 25 HA VAL 25 1.011 1.036 -3.524 174 HB VAL 25 HB VAL 25 1.827 2.417 -5.549 175 1HG1 VAL 25 1HG1 VAL 25 4.051 1.124 -5.477 176 2HG1 VAL 25 2HG1 VAL 25 3.418 1.783 -3.966 177 3HG1 VAL 25 3HG1 VAL 25 3.225 0.065 -4.329 178 1HG2 VAL 25 1HG2 VAL 25 0.919 0.260 -6.985 179 2HG2 VAL 25 2HG2 VAL 25 2.050 1.483 -7.567 180 3HG2 VAL 25 3HG2 VAL 25 2.657 -0.031 -6.897 181 H ASN 26 H ASN 26 -0.939 1.759 -2.942 182 HA ASN 26 HA ASN 26 -2.960 2.382 -4.916 183 1HB ASN 26 2HB ASN 26 -2.864 2.119 -1.983 184 2HB ASN 26 1HB ASN 26 -3.913 3.407 -2.565 185 1HD2 ASN 26 1HD2 ASN 26 -3.711 0.195 -1.811 186 2HD2 ASN 26 2HD2 ASN 26 -5.113 -0.367 -2.652 187 H PHE 27 H PHE 27 -4.143 4.566 -4.221 188 HA PHE 27 HA PHE 27 -2.349 6.714 -4.832 189 1HB PHE 27 2HB PHE 27 -4.842 6.423 -5.493 190 2HB PHE 27 1HB PHE 27 -5.194 7.019 -3.879 191 HD1 PHE 27 1HD PHE 27 -6.483 8.774 -5.094 192 HD2 PHE 27 2HD PHE 27 -2.252 8.431 -5.392 193 HE1 PHE 27 1HE PHE 27 -6.357 11.091 -5.907 194 HE2 PHE 27 2HE PHE 27 -2.120 10.747 -6.205 195 HZ PHE 27 HZ PHE 27 -4.173 12.084 -6.459 196 H ALA 28 H ALA 28 -4.192 8.362 -2.890 197 HA ALA 28 HA ALA 28 -2.738 7.770 -0.416 198 1HB ALA 28 1HB ALA 28 -1.655 9.726 -0.346 199 2HB ALA 28 2HB ALA 28 -2.045 9.873 -2.059 200 3HB ALA 28 3HB ALA 28 -3.083 10.626 -0.853 201 H ARG 29 H ARG 29 -5.242 9.844 -1.866 202 HA ARG 29 HA ARG 29 -6.815 9.721 0.564 203 1HB ARG 29 2HB ARG 29 -8.297 11.276 -0.470 204 2HB ARG 29 1HB ARG 29 -6.661 11.783 -0.862 205 1HG ARG 29 2HG ARG 29 -7.018 10.482 -3.057 206 2HG ARG 29 1HG ARG 29 -8.732 10.563 -2.642 207 1HD ARG 29 2HD ARG 29 -8.407 13.058 -2.361 208 2HD ARG 29 1HD ARG 29 -6.828 12.843 -3.114 209 HE ARG 29 HE ARG 29 -9.271 11.969 -4.507 210 1HH1 ARG 29 2HH1 ARG 29 -6.416 14.015 -4.350 211 2HH1 ARG 29 1HH1 ARG 29 -6.584 14.570 -5.988 212 1HH2 ARG 29 2HH2 ARG 29 -9.481 12.715 -6.646 213 2HH2 ARG 29 1HH2 ARG 29 -8.302 13.812 -7.300 214 H ARG 30 H ARG 30 -6.237 7.401 -1.434 215 HA ARG 30 HA ARG 30 -8.872 6.594 -2.258 216 1HB ARG 30 2HB ARG 30 -6.131 5.451 -2.462 217 2HB ARG 30 1HB ARG 30 -7.464 4.303 -2.436 218 1HG ARG 30 2HG ARG 30 -7.865 6.552 -4.262 219 2HG ARG 30 1HG ARG 30 -6.495 5.516 -4.666 220 1HD ARG 30 2HD ARG 30 -8.499 3.726 -4.034 221 2HD ARG 30 1HD ARG 30 -9.355 5.015 -4.878 222 HE ARG 30 HE ARG 30 -7.602 3.085 -6.026 223 1HH1 ARG 30 2HH1 ARG 30 -8.743 6.386 -6.357 224 2HH1 ARG 30 1HH1 ARG 30 -8.346 6.490 -8.052 225 1HH2 ARG 30 2HH2 ARG 30 -7.159 3.188 -8.280 226 2HH2 ARG 30 1HH2 ARG 30 -7.479 4.670 -9.140 227 H THR 31 H THR 31 -10.327 5.590 -1.038 228 HA THR 31 HA THR 31 -9.551 4.655 1.607 229 HB THR 31 HB THR 31 -12.353 4.303 0.811 230 HG1 THR 31 1HG THR 31 -12.026 6.944 1.264 231 1HG2 THR 31 1HG2 THR 31 -12.786 5.175 2.950 232 2HG2 THR 31 2HG2 THR 31 -11.240 6.020 3.012 233 3HG2 THR 31 3HG2 THR 31 -11.291 4.263 3.145 234 H SER 32 H SER 32 -9.864 3.403 -1.477 235 HA SER 32 HA SER 32 -10.002 0.679 -0.393 236 1HB SER 32 2HB SER 32 -11.131 0.908 -3.080 237 2HB SER 32 1HB SER 32 -11.778 0.090 -1.658 238 HG SER 32 HG SER 32 -12.899 1.825 -1.130 239 H CYS 33 H CYS 33 -8.786 -0.849 -1.456 240 HA CYS 33 HA CYS 33 -6.438 -0.068 -2.758 241 1HB CYS 33 2HB CYS 33 -7.109 -2.272 -1.532 242 2HB CYS 33 1HB CYS 33 -7.595 -2.800 -3.138 243 H ASP 34 H ASP 34 -5.710 -0.674 -4.840 244 HA ASP 34 HA ASP 34 -7.732 -0.276 -6.917 245 1HB ASP 34 2HB ASP 34 -5.549 1.144 -6.614 246 2HB ASP 34 1HB ASP 34 -4.773 -0.223 -7.404 247 H ARG 35 H ARG 35 -5.490 -2.567 -5.630 248 HA ARG 35 HA ARG 35 -5.537 -4.198 -8.043 249 1HB ARG 35 2HB ARG 35 -3.659 -3.801 -5.969 250 2HB ARG 35 1HB ARG 35 -4.188 -5.472 -5.851 251 1HG ARG 35 2HG ARG 35 -2.411 -4.209 -7.759 252 2HG ARG 35 1HG ARG 35 -2.623 -5.911 -7.367 253 1HD ARG 35 2HD ARG 35 -3.597 -6.213 -9.334 254 2HD ARG 35 1HD ARG 35 -4.900 -5.138 -8.842 255 HE ARG 35 HE ARG 35 -2.492 -3.874 -9.888 256 1HH1 ARG 35 2HH1 ARG 35 -5.781 -4.933 -10.488 257 2HH1 ARG 35 1HH1 ARG 35 -5.955 -3.988 -11.937 258 1HH2 ARG 35 2HH2 ARG 35 -2.722 -2.636 -11.808 259 2HH2 ARG 35 1HH2 ARG 35 -4.218 -2.700 -12.695 260 H CYS 36 H CYS 36 -6.004 -4.861 -4.552 261 HA CYS 36 HA CYS 36 -7.456 -7.247 -5.250 262 1HB CYS 36 2HB CYS 36 -7.493 -7.741 -2.893 263 2HB CYS 36 1HB CYS 36 -5.881 -7.193 -3.334 264 H GLY 37 H GLY 37 -8.224 -4.128 -3.727 265 1HA GLY 37 1HA GLY 37 -10.124 -2.933 -4.570 266 2HA GLY 37 2HA GLY 37 -10.904 -4.469 -4.888 267 H ARG 38 H ARG 38 -9.469 -4.530 -1.845 268 HA ARG 38 HA ARG 38 -12.043 -4.368 -0.561 269 1HB ARG 38 2HB ARG 38 -10.721 -4.819 1.528 270 2HB ARG 38 1HB ARG 38 -10.615 -6.055 0.284 271 1HG ARG 38 2HG ARG 38 -8.444 -5.838 1.010 272 2HG ARG 38 1HG ARG 38 -8.477 -4.795 -0.420 273 1HD ARG 38 2HD ARG 38 -9.184 -2.980 1.326 274 2HD ARG 38 1HD ARG 38 -8.393 -4.071 2.454 275 HE ARG 38 HE ARG 38 -6.401 -3.868 0.984 276 1HH1 ARG 38 2HH1 ARG 38 -8.829 -1.345 1.041 277 2HH1 ARG 38 1HH1 ARG 38 -7.750 -0.119 0.462 278 1HH2 ARG 38 2HH2 ARG 38 -4.985 -2.286 0.217 279 2HH2 ARG 38 1HH2 ARG 38 -5.550 -0.657 -0.029 280 H GLU 39 H GLU 39 -12.245 -3.091 1.538 281 HA GLU 39 HA GLU 39 -11.484 -0.335 0.983 282 1HB GLU 39 2HB GLU 39 -13.253 -1.489 3.145 283 2HB GLU 39 1HB GLU 39 -13.015 0.225 2.829 284 1HG GLU 39 2HG GLU 39 -13.856 -1.313 0.490 285 2HG GLU 39 1HG GLU 39 -15.023 -1.311 1.812 286 H LYS 40 H LYS 40 -10.555 1.036 2.625 287 HA LYS 40 HA LYS 40 -8.310 -0.240 3.878 288 1HB LYS 40 2HB LYS 40 -8.024 1.927 2.820 289 2HB LYS 40 1HB LYS 40 -9.240 2.637 3.872 290 1HG LYS 40 2HG LYS 40 -7.839 2.522 5.753 291 2HG LYS 40 1HG LYS 40 -6.728 1.406 4.955 292 1HD LYS 40 2HD LYS 40 -5.647 3.506 4.947 293 2HD LYS 40 1HD LYS 40 -6.249 3.267 3.306 294 1HE LYS 40 2HE LYS 40 -6.585 5.572 4.325 295 2HE LYS 40 1HE LYS 40 -8.002 4.804 3.613 296 1HZ LYS 40 1HZ LYS 40 -9.051 4.824 5.562 297 2HZ LYS 40 2HZ LYS 40 -7.822 5.842 6.141 298 3HZ LYS 40 3HZ LYS 40 -7.725 4.169 6.387 299 H THR 41 H THR 41 -8.646 -1.365 5.681 300 HA THR 41 HA THR 41 -10.650 -0.856 7.597 301 HB THR 41 HB THR 41 -8.901 -2.308 9.019 302 HG1 THR 41 1HG THR 41 -7.599 -3.524 7.616 303 1HG2 THR 41 1HG2 THR 41 -10.119 -4.184 8.400 304 2HG2 THR 41 2HG2 THR 41 -10.224 -3.687 6.711 305 3HG2 THR 41 3HG2 THR 41 -11.210 -2.879 7.933 306 H THR 42 H THR 42 -7.314 0.136 7.287 307 HA THR 42 HA THR 42 -6.027 1.656 8.345 308 HB THR 42 HB THR 42 -8.373 2.804 9.814 309 HG1 THR 42 1HG THR 42 -9.304 2.605 7.840 310 1HG2 THR 42 1HG2 THR 42 -6.188 3.841 10.101 311 2HG2 THR 42 2HG2 THR 42 -7.255 4.918 9.199 312 3HG2 THR 42 3HG2 THR 42 -6.011 3.997 8.353 313 H GLY 43 H GLY 43 -5.889 -0.723 9.460 314 1HA GLY 43 1HA GLY 43 -6.021 -0.253 12.363 315 2HA GLY 43 2HA GLY 43 -5.866 -1.830 11.595 316 HA PRO 44 HA PRO 44 -1.652 0.599 11.842 317 1HB PRO 44 2HB PRO 44 -1.146 1.215 14.443 318 2HB PRO 44 1HB PRO 44 -1.892 2.341 13.303 319 1HG PRO 44 2HG PRO 44 -3.180 0.616 15.383 320 2HG PRO 44 1HG PRO 44 -3.534 2.299 14.949 321 1HD PRO 44 2HD PRO 44 -5.049 0.226 14.092 322 2HD PRO 44 1HD PRO 44 -4.806 1.696 13.127 323 H ILE 45 H ILE 45 -3.003 -1.521 14.270 324 HA ILE 45 HA ILE 45 -0.430 -2.807 14.733 325 HB ILE 45 HB ILE 45 -2.147 -4.256 16.242 326 1HG1 ILE 45 2HG1 ILE 45 -3.293 -1.640 16.894 327 1HG2 ILE 45 1HG2 ILE 45 -0.650 -3.507 17.691 328 2HG2 ILE 45 2HG2 ILE 45 -0.247 -2.152 16.637 329 3HG2 ILE 45 3HG2 ILE 45 -1.554 -1.997 17.810 330 1HD1 ILE 45 1HD1 ILE 45 -4.833 -2.910 17.826 331 2HD1 ILE 45 2HD1 ILE 45 -5.232 -3.631 16.267 332 3HD1 ILE 45 3HD1 ILE 45 -3.962 -4.339 17.264 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -9.031 -1.583 -18.361 2 2H GLY 1 2H GLY 1 -10.395 -2.577 -18.545 3 3H GLY 1 3H GLY 1 -10.244 -1.590 -17.175 4 1HA GLY 1 2HA GLY 1 -10.794 -0.785 -19.961 5 2HA GLY 1 1HA GLY 1 -11.768 -0.483 -18.530 6 H SER 2 H SER 2 -10.041 1.071 -20.692 7 HA SER 2 HA SER 2 -8.389 2.737 -19.034 8 1HB SER 2 2HB SER 2 -9.072 3.871 -21.625 9 2HB SER 2 1HB SER 2 -7.502 3.360 -21.007 10 HG SER 2 HG SER 2 -7.671 1.721 -22.289 11 H MET 3 H MET 3 -9.829 3.567 -17.472 12 HA MET 3 HA MET 3 -11.913 5.374 -18.486 13 1HB MET 3 2HB MET 3 -12.228 3.504 -16.631 14 2HB MET 3 1HB MET 3 -11.610 4.772 -15.582 15 1HG MET 3 2HG MET 3 -13.550 6.020 -17.126 16 2HG MET 3 1HG MET 3 -14.230 4.442 -16.731 17 1HE MET 3 1HE MET 3 -14.706 8.020 -14.638 18 2HE MET 3 2HE MET 3 -12.948 7.940 -14.520 19 3HE MET 3 3HE MET 3 -13.736 7.763 -16.088 20 H SER 4 H SER 4 -9.594 5.301 -15.782 21 HA SER 4 HA SER 4 -8.916 8.095 -16.371 22 1HB SER 4 2HB SER 4 -8.877 7.738 -13.541 23 2HB SER 4 1HB SER 4 -9.900 8.820 -14.486 24 HG SER 4 HG SER 4 -10.800 6.933 -13.069 25 H THR 5 H THR 5 -7.575 5.609 -16.919 26 HA THR 5 HA THR 5 -5.774 4.703 -15.033 27 HB THR 5 HB THR 5 -4.509 4.534 -17.570 28 HG1 THR 5 1HG THR 5 -6.212 4.878 -18.816 29 1HG2 THR 5 1HG2 THR 5 -6.225 2.592 -16.023 30 2HG2 THR 5 2HG2 THR 5 -4.474 2.775 -15.910 31 3HG2 THR 5 3HG2 THR 5 -5.205 2.160 -17.395 32 H LYS 6 H LYS 6 -4.230 5.715 -13.984 33 HA LYS 6 HA LYS 6 -2.757 7.895 -15.286 34 1HB LYS 6 2HB LYS 6 -3.657 7.425 -12.613 35 2HB LYS 6 1HB LYS 6 -1.900 7.497 -12.600 36 1HG LYS 6 2HG LYS 6 -2.542 9.693 -12.228 37 2HG LYS 6 1HG LYS 6 -2.182 9.660 -13.955 38 1HD LYS 6 2HD LYS 6 -4.956 9.010 -13.243 39 2HD LYS 6 1HD LYS 6 -4.458 10.666 -12.886 40 1HE LYS 6 2HE LYS 6 -4.089 11.172 -15.104 41 2HE LYS 6 1HE LYS 6 -3.795 9.490 -15.547 42 1HZ LYS 6 1HZ LYS 6 -5.958 10.514 -16.321 43 2HZ LYS 6 2HZ LYS 6 -6.467 10.454 -14.702 44 3HZ LYS 6 3HZ LYS 6 -6.075 9.022 -15.521 45 H ASN 7 H ASN 7 -0.332 7.909 -14.338 46 HA ASN 7 HA ASN 7 0.848 5.478 -15.389 47 1HB ASN 7 2HB ASN 7 1.635 8.010 -15.636 48 2HB ASN 7 1HB ASN 7 2.524 7.623 -14.167 49 1HD2 ASN 7 1HD2 ASN 7 3.869 8.305 -16.418 50 2HD2 ASN 7 2HD2 ASN 7 4.689 6.918 -17.062 51 H PHE 8 H PHE 8 2.930 4.752 -14.121 52 HA PHE 8 HA PHE 8 1.907 3.709 -11.639 53 1HB PHE 8 2HB PHE 8 3.630 2.124 -11.752 54 2HB PHE 8 1HB PHE 8 3.241 2.433 -13.440 55 HD1 PHE 8 1HD PHE 8 5.819 2.214 -11.055 56 HD2 PHE 8 2HD PHE 8 4.692 4.258 -14.613 57 HE1 PHE 8 1HE PHE 8 8.178 2.777 -11.473 58 HE2 PHE 8 2HE PHE 8 7.048 4.824 -15.040 59 HZ PHE 8 HZ PHE 8 8.795 4.085 -13.468 60 H ARG 9 H ARG 9 3.066 6.588 -12.143 61 HA ARG 9 HA ARG 9 5.314 6.813 -10.444 62 1HB ARG 9 2HB ARG 9 5.075 9.178 -10.656 63 2HB ARG 9 1HB ARG 9 4.650 8.477 -12.209 64 1HG ARG 9 2HG ARG 9 2.777 9.660 -12.153 65 2HG ARG 9 1HG ARG 9 2.246 8.669 -10.792 66 1HD ARG 9 2HD ARG 9 3.490 10.239 -9.282 67 2HD ARG 9 1HD ARG 9 3.762 11.270 -10.683 68 HE ARG 9 HE ARG 9 1.586 11.982 -10.555 69 1HH1 ARG 9 2HH1 ARG 9 1.911 9.083 -8.618 70 2HH1 ARG 9 1HH1 ARG 9 0.439 9.346 -7.738 71 1HH2 ARG 9 2HH2 ARG 9 -0.396 12.307 -9.445 72 2HH2 ARG 9 1HH2 ARG 9 -0.895 11.152 -8.244 73 H VAL 10 H VAL 10 5.471 7.093 -8.298 74 HA VAL 10 HA VAL 10 3.116 6.502 -6.745 75 HB VAL 10 HB VAL 10 5.742 7.158 -5.472 76 1HG1 VAL 10 1HG1 VAL 10 3.270 5.923 -4.720 77 2HG1 VAL 10 2HG1 VAL 10 4.595 4.781 -4.496 78 3HG1 VAL 10 3HG1 VAL 10 4.647 6.361 -3.711 79 1HG2 VAL 10 1HG2 VAL 10 6.207 5.722 -7.472 80 2HG2 VAL 10 2HG2 VAL 10 6.652 5.000 -5.927 81 3HG2 VAL 10 3HG2 VAL 10 5.180 4.487 -6.746 82 H SER 11 H SER 11 1.967 7.870 -5.553 83 HA SER 11 HA SER 11 2.596 10.701 -5.716 84 1HB SER 11 2HB SER 11 0.211 10.006 -4.189 85 2HB SER 11 1HB SER 11 0.365 10.998 -5.638 86 HG SER 11 HG SER 11 -0.434 8.404 -5.378 87 H ASP 12 H ASP 12 2.665 12.071 -3.866 88 HA ASP 12 HA ASP 12 3.647 10.743 -1.465 89 1HB ASP 12 2HB ASP 12 3.761 13.360 -0.807 90 2HB ASP 12 1HB ASP 12 5.042 12.524 -1.675 91 H GLY 13 H GLY 13 2.671 10.920 0.553 92 1HA GLY 13 1HA GLY 13 0.847 11.252 2.001 93 2HA GLY 13 2HA GLY 13 -0.008 12.056 0.689 94 H ASP 14 H ASP 14 1.563 9.091 0.139 95 HA ASP 14 HA ASP 14 -0.974 7.831 -0.546 96 1HB ASP 14 2HB ASP 14 0.349 6.286 -1.844 97 2HB ASP 14 1HB ASP 14 0.932 7.914 -2.181 98 H TRP 15 H TRP 15 -0.535 5.248 -0.392 99 HA TRP 15 HA TRP 15 0.643 4.414 2.097 100 1HB TRP 15 2HB TRP 15 -1.467 3.334 2.918 101 2HB TRP 15 1HB TRP 15 -1.485 5.088 2.996 102 HD1 TRP 15 HD TRP 15 -2.885 6.281 0.807 103 HE1 TRP 15 1HE TRP 15 -5.133 5.512 -0.189 104 HE3 TRP 15 3HE TRP 15 -2.932 1.442 2.483 105 HZ2 TRP 15 2HZ TRP 15 -6.716 3.177 -0.257 106 HZ3 TRP 15 3HZ TRP 15 -4.842 0.012 1.907 107 HH2 TRP 15 HH TRP 15 -6.697 0.863 0.562 108 H ILE 16 H ILE 16 0.323 1.949 2.328 109 HA ILE 16 HA ILE 16 0.028 0.730 -0.325 110 HB ILE 16 HB ILE 16 1.259 -1.227 0.650 111 1HG1 ILE 16 2HG1 ILE 16 2.738 0.177 2.636 112 1HG2 ILE 16 1HG2 ILE 16 3.515 0.113 0.684 113 2HG2 ILE 16 2HG2 ILE 16 2.583 -0.079 -0.800 114 3HG2 ILE 16 3HG2 ILE 16 2.476 1.421 0.120 115 1HD1 ILE 16 1HD1 ILE 16 1.271 -1.673 4.000 116 2HD1 ILE 16 2HD1 ILE 16 1.278 -2.336 2.365 117 3HD1 ILE 16 3HD1 ILE 16 2.804 -1.985 3.185 118 H CYS 17 H CYS 17 -1.103 -1.217 -0.471 119 HA CYS 17 HA CYS 17 -3.531 -1.474 0.633 120 1HB CYS 17 2HB CYS 17 -1.618 -3.614 -0.262 121 2HB CYS 17 1HB CYS 17 -3.311 -3.932 0.093 122 HA PRO 18 HA PRO 18 -3.396 -2.307 4.873 123 1HB PRO 18 2HB PRO 18 -5.518 -4.336 4.494 124 2HB PRO 18 1HB PRO 18 -5.520 -2.870 5.478 125 1HG PRO 18 2HG PRO 18 -6.907 -2.997 3.214 126 2HG PRO 18 1HG PRO 18 -6.063 -1.509 3.690 127 1HD PRO 18 2HD PRO 18 -5.267 -3.562 1.661 128 2HD PRO 18 1HD PRO 18 -5.116 -1.794 1.596 129 H ASP 19 H ASP 19 -3.261 -5.110 2.757 130 HA ASP 19 HA ASP 19 -1.930 -6.566 4.943 131 1HB ASP 19 2HB ASP 19 -4.268 -7.384 4.055 132 2HB ASP 19 1HB ASP 19 -3.296 -8.079 2.760 133 H LYS 20 H LYS 20 -0.738 -8.570 3.898 134 HA LYS 20 HA LYS 20 1.245 -7.350 2.153 135 1HB LYS 20 2HB LYS 20 2.420 -9.630 2.679 136 2HB LYS 20 1HB LYS 20 2.359 -8.369 3.903 137 1HG LYS 20 2HG LYS 20 0.027 -9.993 4.145 138 2HG LYS 20 1HG LYS 20 1.451 -11.034 4.090 139 1HD LYS 20 2HD LYS 20 1.892 -10.524 6.209 140 2HD LYS 20 1HD LYS 20 2.066 -8.827 5.759 141 1HE LYS 20 2HE LYS 20 0.408 -9.104 7.538 142 2HE LYS 20 1HE LYS 20 -0.328 -8.487 6.061 143 1HZ LYS 20 1HZ LYS 20 -1.506 -10.378 5.737 144 2HZ LYS 20 2HZ LYS 20 -1.370 -10.474 7.427 145 3HZ LYS 20 3HZ LYS 20 -0.332 -11.381 6.444 146 H LYS 21 H LYS 21 -1.197 -9.844 2.155 147 HA LYS 21 HA LYS 21 -0.408 -11.063 -0.303 148 1HB LYS 21 2HB LYS 21 -3.206 -10.948 0.834 149 2HB LYS 21 1HB LYS 21 -2.555 -12.144 -0.278 150 1HG LYS 21 2HG LYS 21 -1.579 -11.767 2.546 151 2HG LYS 21 1HG LYS 21 -2.805 -12.941 2.064 152 1HD LYS 21 2HD LYS 21 -0.965 -13.661 0.327 153 2HD LYS 21 1HD LYS 21 0.122 -12.899 1.490 154 1HE LYS 21 2HE LYS 21 -1.481 -14.416 3.106 155 2HE LYS 21 1HE LYS 21 -1.354 -15.422 1.663 156 1HZ LYS 21 1HZ LYS 21 1.113 -15.077 1.831 157 2HZ LYS 21 2HZ LYS 21 0.427 -16.012 3.070 158 3HZ LYS 21 3HZ LYS 21 0.851 -14.396 3.362 159 H CYS 22 H CYS 22 -2.139 -8.244 0.600 160 HA CYS 22 HA CYS 22 -3.070 -7.577 -2.037 161 1HB CYS 22 2HB CYS 22 -3.558 -6.739 0.601 162 2HB CYS 22 1HB CYS 22 -2.784 -5.363 -0.171 163 H GLY 23 H GLY 23 -1.133 -5.499 0.019 164 1HA GLY 23 1HA GLY 23 0.806 -4.337 -0.288 165 2HA GLY 23 2HA GLY 23 1.396 -5.809 -1.035 166 H ASN 24 H ASN 24 -1.070 -3.490 -2.176 167 HA ASN 24 HA ASN 24 0.567 -3.051 -4.565 168 1HB ASN 24 2HB ASN 24 -1.562 -3.782 -5.182 169 2HB ASN 24 1HB ASN 24 -2.356 -2.866 -3.928 170 1HD2 ASN 24 1HD2 ASN 24 -2.970 -0.820 -4.277 171 2HD2 ASN 24 2HD2 ASN 24 -2.840 -0.016 -5.803 172 H VAL 25 H VAL 25 0.853 -0.920 -5.369 173 HA VAL 25 HA VAL 25 0.948 1.144 -3.338 174 HB VAL 25 HB VAL 25 1.744 2.523 -5.426 175 1HG1 VAL 25 1HG1 VAL 25 4.045 1.603 -5.103 176 2HG1 VAL 25 2HG1 VAL 25 3.202 2.021 -3.611 177 3HG1 VAL 25 3HG1 VAL 25 3.332 0.332 -4.107 178 1HG2 VAL 25 1HG2 VAL 25 1.200 1.052 -7.199 179 2HG2 VAL 25 2HG2 VAL 25 2.953 0.981 -7.031 180 3HG2 VAL 25 3HG2 VAL 25 1.953 -0.322 -6.390 181 H ASN 26 H ASN 26 -0.852 2.193 -2.879 182 HA ASN 26 HA ASN 26 -2.972 2.425 -4.858 183 1HB ASN 26 2HB ASN 26 -3.162 3.568 -2.089 184 2HB ASN 26 1HB ASN 26 -4.423 2.850 -3.088 185 1HD2 ASN 26 1HD2 ASN 26 -4.740 0.670 -3.036 186 2HD2 ASN 26 2HD2 ASN 26 -3.919 -0.402 -1.950 187 H PHE 27 H PHE 27 -4.090 4.491 -5.160 188 HA PHE 27 HA PHE 27 -2.451 6.458 -6.183 189 1HB PHE 27 2HB PHE 27 -4.843 6.230 -6.728 190 2HB PHE 27 1HB PHE 27 -5.264 6.808 -5.123 191 HD1 PHE 27 1HD PHE 27 -2.941 7.964 -7.819 192 HD2 PHE 27 2HD PHE 27 -6.117 8.918 -5.153 193 HE1 PHE 27 1HE PHE 27 -2.931 10.282 -8.645 194 HE2 PHE 27 2HE PHE 27 -6.115 11.237 -5.970 195 HZ PHE 27 HZ PHE 27 -4.520 11.922 -7.719 196 H ALA 28 H ALA 28 -4.532 7.188 -3.409 197 HA ALA 28 HA ALA 28 -2.589 7.977 -1.581 198 1HB ALA 28 1HB ALA 28 -2.858 9.870 -3.682 199 2HB ALA 28 2HB ALA 28 -3.560 10.574 -2.224 200 3HB ALA 28 3HB ALA 28 -1.894 9.991 -2.209 201 H ARG 29 H ARG 29 -5.341 9.971 -2.548 202 HA ARG 29 HA ARG 29 -6.583 9.571 0.026 203 1HB ARG 29 2HB ARG 29 -7.138 11.305 -2.358 204 2HB ARG 29 1HB ARG 29 -8.389 11.066 -1.144 205 1HG ARG 29 2HG ARG 29 -7.467 12.803 -0.109 206 2HG ARG 29 1HG ARG 29 -6.210 11.669 0.384 207 1HD ARG 29 2HD ARG 29 -5.366 12.381 -2.104 208 2HD ARG 29 1HD ARG 29 -6.119 13.872 -1.544 209 HE ARG 29 HE ARG 29 -4.211 12.563 0.244 210 1HH1 ARG 29 2HH1 ARG 29 -4.942 15.160 -2.007 211 2HH1 ARG 29 1HH1 ARG 29 -3.577 16.125 -1.518 212 1HH2 ARG 29 2HH2 ARG 29 -2.427 13.836 0.872 213 2HH2 ARG 29 1HH2 ARG 29 -2.153 15.380 0.116 214 H ARG 30 H ARG 30 -6.474 7.175 -1.023 215 HA ARG 30 HA ARG 30 -9.137 6.612 -2.136 216 1HB ARG 30 2HB ARG 30 -6.483 5.242 -2.358 217 2HB ARG 30 1HB ARG 30 -7.945 4.278 -2.480 218 1HG ARG 30 2HG ARG 30 -7.750 6.715 -4.160 219 2HG ARG 30 1HG ARG 30 -6.767 5.317 -4.602 220 1HD ARG 30 2HD ARG 30 -8.812 5.127 -5.792 221 2HD ARG 30 1HD ARG 30 -8.863 3.937 -4.492 222 HE ARG 30 HE ARG 30 -10.206 6.558 -4.276 223 1HH1 ARG 30 2HH1 ARG 30 -10.293 3.055 -4.136 224 2HH1 ARG 30 1HH1 ARG 30 -11.842 3.005 -3.343 225 1HH2 ARG 30 2HH2 ARG 30 -12.253 6.480 -3.293 226 2HH2 ARG 30 1HH2 ARG 30 -12.968 4.947 -2.881 227 H THR 31 H THR 31 -10.573 5.619 -0.853 228 HA THR 31 HA THR 31 -9.708 4.785 1.791 229 HB THR 31 HB THR 31 -12.498 4.373 1.429 230 HG1 THR 31 1HG THR 31 -13.154 6.069 0.304 231 1HG2 THR 31 1HG2 THR 31 -12.682 5.771 3.265 232 2HG2 THR 31 2HG2 THR 31 -11.344 6.798 2.747 233 3HG2 THR 31 3HG2 THR 31 -11.020 5.198 3.417 234 H SER 32 H SER 32 -9.680 3.328 -1.034 235 HA SER 32 HA SER 32 -10.074 0.698 0.157 236 1HB SER 32 2HB SER 32 -10.947 0.735 -2.626 237 2HB SER 32 1HB SER 32 -11.752 0.055 -1.212 238 HG SER 32 HG SER 32 -12.897 1.828 -0.977 239 H CYS 33 H CYS 33 -8.871 -0.963 -0.920 240 HA CYS 33 HA CYS 33 -6.362 -0.279 -1.904 241 1HB CYS 33 2HB CYS 33 -6.385 -2.451 -1.173 242 2HB CYS 33 1HB CYS 33 -8.010 -2.752 -1.775 243 H ASP 34 H ASP 34 -5.512 -0.647 -4.089 244 HA ASP 34 HA ASP 34 -7.397 0.634 -5.921 245 1HB ASP 34 2HB ASP 34 -4.757 1.266 -5.150 246 2HB ASP 34 1HB ASP 34 -4.682 0.777 -6.839 247 H ARG 35 H ARG 35 -6.052 -2.405 -5.456 248 HA ARG 35 HA ARG 35 -6.419 -3.033 -8.278 249 1HB ARG 35 2HB ARG 35 -4.222 -2.685 -8.639 250 2HB ARG 35 1HB ARG 35 -3.797 -2.883 -6.948 251 1HG ARG 35 2HG ARG 35 -3.328 -5.073 -7.182 252 2HG ARG 35 1HG ARG 35 -4.619 -5.337 -8.352 253 1HD ARG 35 2HD ARG 35 -2.437 -5.659 -9.385 254 2HD ARG 35 1HD ARG 35 -3.268 -4.271 -10.088 255 HE ARG 35 HE ARG 35 -1.799 -2.843 -8.793 256 1HH1 ARG 35 2HH1 ARG 35 -0.887 -6.217 -8.971 257 2HH1 ARG 35 1HH1 ARG 35 0.798 -5.913 -8.696 258 1HH2 ARG 35 2HH2 ARG 35 0.408 -2.426 -8.442 259 2HH2 ARG 35 1HH2 ARG 35 1.541 -3.745 -8.396 260 H CYS 36 H CYS 36 -6.062 -4.288 -4.957 261 HA CYS 36 HA CYS 36 -6.387 -6.982 -6.117 262 1HB CYS 36 2HB CYS 36 -4.844 -7.337 -3.830 263 2HB CYS 36 1HB CYS 36 -4.290 -7.431 -5.500 264 H GLY 37 H GLY 37 -7.194 -4.850 -3.475 265 1HA GLY 37 1HA GLY 37 -8.567 -7.111 -2.165 266 2HA GLY 37 2HA GLY 37 -7.731 -5.863 -1.261 267 H ARG 38 H ARG 38 -8.822 -4.098 -0.656 268 HA ARG 38 HA ARG 38 -11.254 -3.202 -1.771 269 1HB ARG 38 2HB ARG 38 -11.458 -5.483 0.023 270 2HB ARG 38 1HB ARG 38 -12.344 -4.096 0.635 271 1HG ARG 38 2HG ARG 38 -12.679 -5.313 -2.085 272 2HG ARG 38 1HG ARG 38 -13.765 -5.521 -0.707 273 1HD ARG 38 2HD ARG 38 -14.105 -3.063 -0.680 274 2HD ARG 38 1HD ARG 38 -13.142 -2.952 -2.155 275 HE ARG 38 HE ARG 38 -14.987 -4.725 -2.862 276 1HH1 ARG 38 2HH1 ARG 38 -15.281 -1.654 -1.206 277 2HH1 ARG 38 1HH1 ARG 38 -16.856 -1.308 -1.868 278 1HH2 ARG 38 2HH2 ARG 38 -17.055 -4.285 -3.725 279 2HH2 ARG 38 1HH2 ARG 38 -17.869 -2.803 -3.300 280 H GLU 39 H GLU 39 -12.513 -2.524 0.731 281 HA GLU 39 HA GLU 39 -11.638 0.001 1.148 282 1HB GLU 39 2HB GLU 39 -13.298 -1.898 2.630 283 2HB GLU 39 1HB GLU 39 -12.598 -0.639 3.635 284 1HG GLU 39 2HG GLU 39 -14.910 -0.253 2.596 285 2HG GLU 39 1HG GLU 39 -13.727 1.050 2.535 286 H LYS 40 H LYS 40 -10.468 1.119 2.648 287 HA LYS 40 HA LYS 40 -7.929 0.147 3.298 288 1HB LYS 40 2HB LYS 40 -8.956 2.594 3.102 289 2HB LYS 40 1HB LYS 40 -9.084 2.424 4.844 290 1HG LYS 40 2HG LYS 40 -6.690 2.016 4.992 291 2HG LYS 40 1HG LYS 40 -6.551 2.150 3.239 292 1HD LYS 40 2HD LYS 40 -7.434 4.469 3.401 293 2HD LYS 40 1HD LYS 40 -7.407 4.322 5.158 294 1HE LYS 40 2HE LYS 40 -4.991 3.964 3.397 295 2HE LYS 40 1HE LYS 40 -5.429 5.491 4.161 296 1HZ LYS 40 1HZ LYS 40 -5.467 3.778 6.241 297 2HZ LYS 40 2HZ LYS 40 -4.147 4.750 5.816 298 3HZ LYS 40 3HZ LYS 40 -4.203 3.141 5.302 299 H THR 41 H THR 41 -8.049 -1.730 4.498 300 HA THR 41 HA THR 41 -9.487 -1.813 6.997 301 HB THR 41 HB THR 41 -7.722 -4.023 6.724 302 HG1 THR 41 1HG THR 41 -9.199 -3.425 4.350 303 1HG2 THR 41 1HG2 THR 41 -10.489 -4.347 5.813 304 2HG2 THR 41 2HG2 THR 41 -10.330 -3.574 7.391 305 3HG2 THR 41 3HG2 THR 41 -9.626 -5.167 7.111 306 H THR 42 H THR 42 -6.541 -0.598 6.056 307 HA THR 42 HA THR 42 -4.992 -1.314 8.372 308 HB THR 42 HB THR 42 -3.875 0.977 7.187 309 HG1 THR 42 1HG THR 42 -3.961 0.482 4.975 310 1HG2 THR 42 1HG2 THR 42 -2.773 -1.372 6.019 311 2HG2 THR 42 2HG2 THR 42 -3.224 -1.745 7.683 312 3HG2 THR 42 3HG2 THR 42 -2.132 -0.401 7.346 313 H GLY 43 H GLY 43 -7.487 0.856 7.783 314 1HA GLY 43 1HA GLY 43 -8.427 2.356 9.315 315 2HA GLY 43 2HA GLY 43 -6.929 2.316 10.238 316 HA PRO 44 HA PRO 44 -6.868 6.349 8.064 317 1HB PRO 44 2HB PRO 44 -5.515 7.327 10.450 318 2HB PRO 44 1HB PRO 44 -7.073 7.816 9.780 319 1HG PRO 44 2HG PRO 44 -6.839 6.452 12.117 320 2HG PRO 44 1HG PRO 44 -8.243 6.299 11.044 321 1HD PRO 44 2HD PRO 44 -5.878 4.477 11.337 322 2HD PRO 44 1HD PRO 44 -7.601 4.069 11.179 323 H ILE 45 H ILE 45 -4.668 8.007 8.719 324 HA ILE 45 HA ILE 45 -2.490 6.487 7.511 325 HB ILE 45 HB ILE 45 -2.494 9.440 8.139 326 1HG1 ILE 45 2HG1 ILE 45 -4.430 8.871 6.695 327 1HG2 ILE 45 1HG2 ILE 45 -0.310 8.836 7.678 328 2HG2 ILE 45 2HG2 ILE 45 -0.784 7.625 6.488 329 3HG2 ILE 45 3HG2 ILE 45 -0.901 9.340 6.094 330 1HD1 ILE 45 1HD1 ILE 45 -2.824 7.001 5.505 331 2HD1 ILE 45 2HD1 ILE 45 -4.366 7.587 4.881 332 3HD1 ILE 45 3HD1 ILE 45 -2.857 8.306 4.317 Start of MODEL 10 1 1H GLY 1 1H GLY 1 17.347 14.433 13.212 2 2H GLY 1 2H GLY 1 18.551 13.242 13.314 3 3H GLY 1 3H GLY 1 16.919 12.811 13.450 4 1HA GLY 1 2HA GLY 1 17.459 14.216 11.022 5 2HA GLY 1 1HA GLY 1 18.418 12.749 11.173 6 H SER 2 H SER 2 17.039 12.201 9.258 7 HA SER 2 HA SER 2 14.276 11.536 9.855 8 1HB SER 2 2HB SER 2 14.909 10.573 7.307 9 2HB SER 2 1HB SER 2 14.108 12.097 7.688 10 HG SER 2 HG SER 2 16.078 12.219 6.355 11 H MET 3 H MET 3 17.036 10.076 10.605 12 HA MET 3 HA MET 3 16.467 7.395 9.680 13 1HB MET 3 2HB MET 3 18.631 8.608 11.376 14 2HB MET 3 1HB MET 3 18.451 6.865 11.247 15 1HG MET 3 2HG MET 3 19.835 7.050 9.516 16 2HG MET 3 1HG MET 3 18.413 7.607 8.634 17 1HE MET 3 1HE MET 3 19.873 8.572 6.931 18 2HE MET 3 2HE MET 3 20.787 10.074 7.064 19 3HE MET 3 3HE MET 3 21.493 8.558 7.624 20 H SER 4 H SER 4 14.276 7.934 10.889 21 HA SER 4 HA SER 4 14.396 6.304 13.316 22 1HB SER 4 2HB SER 4 12.463 8.570 13.358 23 2HB SER 4 1HB SER 4 13.315 7.793 14.691 24 HG SER 4 HG SER 4 15.243 8.849 13.510 25 H THR 5 H THR 5 11.983 8.081 11.377 26 HA THR 5 HA THR 5 10.300 5.690 11.368 27 HB THR 5 HB THR 5 9.201 8.005 9.990 28 HG1 THR 5 1HG THR 5 9.252 8.628 12.666 29 1HG2 THR 5 1HG2 THR 5 7.343 7.622 11.504 30 2HG2 THR 5 2HG2 THR 5 8.338 6.560 12.499 31 3HG2 THR 5 3HG2 THR 5 7.910 6.082 10.856 32 H LYS 6 H LYS 6 11.857 4.638 9.900 33 HA LYS 6 HA LYS 6 11.737 5.606 7.128 34 1HB LYS 6 2HB LYS 6 13.577 3.705 8.569 35 2HB LYS 6 1HB LYS 6 13.491 3.734 6.814 36 1HG LYS 6 2HG LYS 6 13.799 6.403 7.799 37 2HG LYS 6 1HG LYS 6 15.044 5.358 8.490 38 1HD LYS 6 2HD LYS 6 14.951 4.579 5.847 39 2HD LYS 6 1HD LYS 6 14.721 6.326 5.763 40 1HE LYS 6 2HE LYS 6 16.903 6.607 6.059 41 2HE LYS 6 1HE LYS 6 16.764 5.855 7.648 42 1HZ LYS 6 1HZ LYS 6 17.010 4.209 5.207 43 2HZ LYS 6 2HZ LYS 6 17.360 3.792 6.812 44 3HZ LYS 6 3HZ LYS 6 18.383 4.851 5.969 45 H ASN 7 H ASN 7 9.598 4.187 8.675 46 HA ASN 7 HA ASN 7 9.485 1.539 7.565 47 1HB ASN 7 2HB ASN 7 8.600 1.847 9.782 48 2HB ASN 7 1HB ASN 7 7.537 3.135 9.227 49 1HD2 ASN 7 1HD2 ASN 7 5.518 2.587 8.947 50 2HD2 ASN 7 2HD2 ASN 7 4.933 1.002 8.577 51 H PHE 8 H PHE 8 8.094 4.635 6.916 52 HA PHE 8 HA PHE 8 6.432 3.489 4.794 53 1HB PHE 8 2HB PHE 8 5.972 5.559 6.731 54 2HB PHE 8 1HB PHE 8 5.845 6.241 5.114 55 HD1 PHE 8 1HD PHE 8 3.496 6.677 5.292 56 HD2 PHE 8 2HD PHE 8 5.018 2.738 5.815 57 HE1 PHE 8 1HE PHE 8 1.217 5.774 5.093 58 HE2 PHE 8 2HE PHE 8 2.742 1.828 5.610 59 HZ PHE 8 HZ PHE 8 0.837 3.346 5.248 60 H ARG 9 H ARG 9 7.478 3.444 2.951 61 HA ARG 9 HA ARG 9 9.272 5.626 2.199 62 1HB ARG 9 2HB ARG 9 8.776 3.494 0.224 63 2HB ARG 9 1HB ARG 9 10.299 4.156 0.803 64 1HG ARG 9 2HG ARG 9 9.829 2.831 2.944 65 2HG ARG 9 1HG ARG 9 8.632 1.969 1.978 66 1HD ARG 9 2HD ARG 9 10.599 1.687 0.297 67 2HD ARG 9 1HD ARG 9 11.609 2.022 1.703 68 HE ARG 9 HE ARG 9 10.122 0.106 2.705 69 1HH1 ARG 9 2HH1 ARG 9 11.605 0.292 -0.475 70 2HH1 ARG 9 1HH1 ARG 9 11.670 -1.437 -0.678 71 1HH2 ARG 9 2HH2 ARG 9 10.158 -2.157 2.411 72 2HH2 ARG 9 1HH2 ARG 9 10.828 -2.825 0.946 73 H VAL 10 H VAL 10 6.602 6.263 2.497 74 HA VAL 10 HA VAL 10 5.873 7.084 -0.195 75 HB VAL 10 HB VAL 10 4.692 4.857 0.689 76 1HG1 VAL 10 1HG1 VAL 10 3.483 5.293 2.528 77 2HG1 VAL 10 2HG1 VAL 10 3.380 7.019 2.182 78 3HG1 VAL 10 3HG1 VAL 10 2.297 5.890 1.367 79 1HG2 VAL 10 1HG2 VAL 10 4.375 5.858 -1.502 80 2HG2 VAL 10 2HG2 VAL 10 2.835 5.335 -0.821 81 3HG2 VAL 10 3HG2 VAL 10 3.266 7.043 -0.812 82 H SER 11 H SER 11 3.954 8.689 -0.040 83 HA SER 11 HA SER 11 4.796 10.734 1.743 84 1HB SER 11 2HB SER 11 2.251 11.183 0.376 85 2HB SER 11 1HB SER 11 3.764 12.085 0.274 86 HG SER 11 HG SER 11 2.755 10.370 -1.480 87 H ASP 12 H ASP 12 2.487 12.085 2.404 88 HA ASP 12 HA ASP 12 1.944 10.849 4.915 89 1HB ASP 12 2HB ASP 12 1.940 13.430 3.954 90 2HB ASP 12 1HB ASP 12 0.226 13.106 4.199 91 H GLY 13 H GLY 13 -0.210 11.796 2.221 92 1HA GLY 13 1HA GLY 13 -2.418 10.387 3.498 93 2HA GLY 13 2HA GLY 13 -2.507 11.374 2.048 94 H ASP 14 H ASP 14 0.050 9.589 1.439 95 HA ASP 14 HA ASP 14 -1.356 7.745 -0.258 96 1HB ASP 14 2HB ASP 14 1.604 8.040 0.319 97 2HB ASP 14 1HB ASP 14 0.918 7.000 -0.924 98 H TRP 15 H TRP 15 -0.911 5.395 -0.199 99 HA TRP 15 HA TRP 15 0.151 4.267 2.207 100 1HB TRP 15 2HB TRP 15 -1.884 3.229 3.038 101 2HB TRP 15 1HB TRP 15 -2.073 4.976 3.009 102 HD1 TRP 15 HD TRP 15 -3.459 5.873 0.653 103 HE1 TRP 15 1HE TRP 15 -5.623 4.859 -0.310 104 HE3 TRP 15 3HE TRP 15 -3.179 1.233 2.763 105 HZ2 TRP 15 2HZ TRP 15 -7.029 2.397 -0.180 106 HZ3 TRP 15 3HZ TRP 15 -4.944 -0.385 2.317 107 HH2 TRP 15 HH TRP 15 -6.831 0.170 0.861 108 H ILE 16 H ILE 16 0.029 1.905 2.217 109 HA ILE 16 HA ILE 16 -0.330 0.771 -0.465 110 HB ILE 16 HB ILE 16 1.250 -0.994 0.240 111 1HG1 ILE 16 2HG1 ILE 16 2.518 0.434 2.402 112 1HG2 ILE 16 1HG2 ILE 16 3.248 0.269 -0.088 113 2HG2 ILE 16 2HG2 ILE 16 1.965 1.038 -1.021 114 3HG2 ILE 16 3HG2 ILE 16 2.482 1.739 0.514 115 1HD1 ILE 16 1HD1 ILE 16 2.144 -2.212 1.633 116 2HD1 ILE 16 2HD1 ILE 16 3.009 -1.620 3.054 117 3HD1 ILE 16 3HD1 ILE 16 1.305 -2.054 3.176 118 H CYS 17 H CYS 17 -1.092 -1.492 -0.450 119 HA CYS 17 HA CYS 17 -3.518 -1.804 0.733 120 1HB CYS 17 2HB CYS 17 -2.572 -3.224 -1.111 121 2HB CYS 17 1HB CYS 17 -1.650 -4.094 0.101 122 HA PRO 18 HA PRO 18 -2.682 -2.758 4.931 123 1HB PRO 18 2HB PRO 18 -5.349 -3.886 5.185 124 2HB PRO 18 1HB PRO 18 -4.698 -2.397 5.874 125 1HG PRO 18 2HG PRO 18 -6.549 -2.374 3.930 126 2HG PRO 18 1HG PRO 18 -5.278 -1.137 4.047 127 1HD PRO 18 2HD PRO 18 -5.350 -3.582 2.292 128 2HD PRO 18 1HD PRO 18 -4.939 -1.911 1.861 129 H ASP 19 H ASP 19 -3.390 -5.008 2.548 130 HA ASP 19 HA ASP 19 -3.270 -7.323 4.366 131 1HB ASP 19 2HB ASP 19 -5.137 -6.786 2.477 132 2HB ASP 19 1HB ASP 19 -3.991 -7.723 1.524 133 H LYS 20 H LYS 20 -2.095 -9.225 3.537 134 HA LYS 20 HA LYS 20 0.449 -8.314 2.424 135 1HB LYS 20 2HB LYS 20 -0.289 -10.155 4.482 136 2HB LYS 20 1HB LYS 20 0.610 -11.026 3.245 137 1HG LYS 20 2HG LYS 20 2.384 -10.329 4.435 138 2HG LYS 20 1HG LYS 20 2.163 -8.849 3.501 139 1HD LYS 20 2HD LYS 20 0.813 -7.907 5.315 140 2HD LYS 20 1HD LYS 20 1.041 -9.383 6.254 141 1HE LYS 20 2HE LYS 20 3.588 -8.841 5.837 142 2HE LYS 20 1HE LYS 20 2.970 -7.206 5.614 143 1HZ LYS 20 1HZ LYS 20 2.984 -7.004 7.809 144 2HZ LYS 20 2HZ LYS 20 3.380 -8.640 8.025 145 3HZ LYS 20 3HZ LYS 20 1.754 -8.172 7.900 146 H LYS 21 H LYS 21 -2.106 -9.076 0.918 147 HA LYS 21 HA LYS 21 -1.038 -11.183 -0.794 148 1HB LYS 21 2HB LYS 21 -3.453 -9.938 -1.801 149 2HB LYS 21 1HB LYS 21 -3.162 -11.615 -1.371 150 1HG LYS 21 2HG LYS 21 -3.663 -11.115 0.959 151 2HG LYS 21 1HG LYS 21 -3.931 -9.421 0.542 152 1HD LYS 21 2HD LYS 21 -5.478 -11.672 -0.726 153 2HD LYS 21 1HD LYS 21 -6.000 -10.874 0.760 154 1HE LYS 21 2HE LYS 21 -5.311 -9.184 -1.592 155 2HE LYS 21 1HE LYS 21 -6.838 -10.065 -1.617 156 1HZ LYS 21 1HZ LYS 21 -6.063 -8.370 0.677 157 2HZ LYS 21 2HZ LYS 21 -7.602 -8.931 0.263 158 3HZ LYS 21 3HZ LYS 21 -6.861 -7.723 -0.674 159 H CYS 22 H CYS 22 -1.721 -7.754 -0.776 160 HA CYS 22 HA CYS 22 -0.749 -7.497 -3.517 161 1HB CYS 22 2HB CYS 22 -1.917 -5.396 -1.686 162 2HB CYS 22 1HB CYS 22 -1.571 -5.210 -3.396 163 H GLY 23 H GLY 23 -0.438 -5.403 -0.696 164 1HA GLY 23 1HA GLY 23 1.340 -4.136 0.046 165 2HA GLY 23 2HA GLY 23 2.430 -5.172 -0.887 166 H ASN 24 H ASN 24 -0.356 -3.896 -2.326 167 HA ASN 24 HA ASN 24 0.985 -2.768 -4.527 168 1HB ASN 24 2HB ASN 24 -1.222 -3.616 -4.844 169 2HB ASN 24 1HB ASN 24 -1.857 -2.671 -3.509 170 1HD2 ASN 24 1HD2 ASN 24 -2.515 -0.614 -3.851 171 2HD2 ASN 24 2HD2 ASN 24 -2.550 0.131 -5.409 172 H VAL 25 H VAL 25 1.404 -0.652 -5.072 173 HA VAL 25 HA VAL 25 1.315 1.277 -2.906 174 HB VAL 25 HB VAL 25 2.365 2.788 -4.752 175 1HG1 VAL 25 1HG1 VAL 25 4.591 1.839 -4.243 176 2HG1 VAL 25 2HG1 VAL 25 3.570 1.999 -2.814 177 3HG1 VAL 25 3HG1 VAL 25 3.800 0.417 -3.562 178 1HG2 VAL 25 1HG2 VAL 25 3.027 1.895 -6.711 179 2HG2 VAL 25 2HG2 VAL 25 3.493 0.365 -5.968 180 3HG2 VAL 25 3HG2 VAL 25 1.806 0.668 -6.375 181 H ASN 26 H ASN 26 -0.682 1.984 -2.574 182 HA ASN 26 HA ASN 26 -2.536 2.391 -4.731 183 1HB ASN 26 2HB ASN 26 -2.876 3.210 -1.839 184 2HB ASN 26 1HB ASN 26 -4.145 2.925 -3.027 185 1HD2 ASN 26 1HD2 ASN 26 -5.141 1.043 -2.813 186 2HD2 ASN 26 2HD2 ASN 26 -4.444 -0.409 -2.172 187 H PHE 27 H PHE 27 -3.726 4.473 -4.936 188 HA PHE 27 HA PHE 27 -1.924 6.503 -5.635 189 1HB PHE 27 2HB PHE 27 -4.231 6.086 -6.595 190 2HB PHE 27 1HB PHE 27 -4.884 6.897 -5.178 191 HD1 PHE 27 1HD PHE 27 -5.951 8.567 -6.582 192 HD2 PHE 27 2HD PHE 27 -1.730 8.031 -6.608 193 HE1 PHE 27 1HE PHE 27 -5.686 10.737 -7.712 194 HE2 PHE 27 2HE PHE 27 -1.458 10.200 -7.736 195 HZ PHE 27 HZ PHE 27 -3.437 11.554 -8.289 196 H ALA 28 H ALA 28 -4.614 7.309 -3.491 197 HA ALA 28 HA ALA 28 -3.207 7.940 -1.176 198 1HB ALA 28 1HB ALA 28 -3.781 10.595 -2.146 199 2HB ALA 28 2HB ALA 28 -2.280 9.953 -1.477 200 3HB ALA 28 3HB ALA 28 -2.620 9.789 -3.200 201 H ARG 29 H ARG 29 -5.615 9.578 -3.240 202 HA ARG 29 HA ARG 29 -7.518 9.798 -1.093 203 1HB ARG 29 2HB ARG 29 -7.492 10.467 -4.007 204 2HB ARG 29 1HB ARG 29 -9.042 10.360 -3.188 205 1HG ARG 29 2HG ARG 29 -6.760 12.185 -2.459 206 2HG ARG 29 1HG ARG 29 -8.267 12.648 -3.249 207 1HD ARG 29 2HD ARG 29 -8.138 11.381 -0.521 208 2HD ARG 29 1HD ARG 29 -8.139 13.123 -0.785 209 HE ARG 29 HE ARG 29 -10.334 11.699 -2.021 210 1HH1 ARG 29 2HH1 ARG 29 -9.197 13.479 0.767 211 2HH1 ARG 29 1HH1 ARG 29 -10.790 13.801 1.380 212 1HH2 ARG 29 2HH2 ARG 29 -12.426 12.133 -1.272 213 2HH2 ARG 29 1HH2 ARG 29 -12.651 13.031 0.204 214 H ARG 30 H ARG 30 -6.640 7.122 -1.617 215 HA ARG 30 HA ARG 30 -8.926 5.839 -2.923 216 1HB ARG 30 2HB ARG 30 -6.173 4.863 -2.172 217 2HB ARG 30 1HB ARG 30 -7.453 3.769 -2.676 218 1HG ARG 30 2HG ARG 30 -6.523 6.080 -4.355 219 2HG ARG 30 1HG ARG 30 -5.829 4.460 -4.461 220 1HD ARG 30 2HD ARG 30 -8.216 3.648 -4.812 221 2HD ARG 30 1HD ARG 30 -8.631 5.341 -5.084 222 HE ARG 30 HE ARG 30 -6.832 3.702 -6.754 223 1HH1 ARG 30 2HH1 ARG 30 -8.823 6.556 -6.298 224 2HH1 ARG 30 1HH1 ARG 30 -8.646 7.100 -7.940 225 1HH2 ARG 30 2HH2 ARG 30 -6.593 4.419 -8.906 226 2HH2 ARG 30 1HH2 ARG 30 -7.369 5.888 -9.426 227 H THR 31 H THR 31 -10.500 5.083 -1.703 228 HA THR 31 HA THR 31 -10.044 4.705 1.146 229 HB THR 31 HB THR 31 -12.666 4.123 0.824 230 HG1 THR 31 1HG THR 31 -12.883 6.160 -0.886 231 1HG2 THR 31 1HG2 THR 31 -11.157 6.270 1.785 232 2HG2 THR 31 2HG2 THR 31 -12.874 5.971 2.061 233 3HG2 THR 31 3HG2 THR 31 -12.360 6.993 0.718 234 H SER 32 H SER 32 -9.893 2.918 -1.623 235 HA SER 32 HA SER 32 -9.883 0.456 -0.073 236 1HB SER 32 2HB SER 32 -11.274 0.651 -2.758 237 2HB SER 32 1HB SER 32 -11.131 -0.784 -1.743 238 HG SER 32 HG SER 32 -12.710 -0.088 -0.502 239 H CYS 33 H CYS 33 -8.835 -1.313 -1.389 240 HA CYS 33 HA CYS 33 -6.315 -0.467 -2.254 241 1HB CYS 33 2HB CYS 33 -6.932 -2.728 -1.314 242 2HB CYS 33 1HB CYS 33 -7.606 -3.117 -2.891 243 H ASP 34 H ASP 34 -5.315 -0.734 -4.281 244 HA ASP 34 HA ASP 34 -7.063 -0.112 -6.544 245 1HB ASP 34 2HB ASP 34 -4.173 0.318 -5.908 246 2HB ASP 34 1HB ASP 34 -4.642 0.202 -7.598 247 H ARG 35 H ARG 35 -5.520 -2.679 -5.079 248 HA ARG 35 HA ARG 35 -5.335 -4.182 -7.605 249 1HB ARG 35 2HB ARG 35 -3.591 -4.003 -5.333 250 2HB ARG 35 1HB ARG 35 -4.141 -5.662 -5.525 251 1HG ARG 35 2HG ARG 35 -3.509 -5.036 -8.084 252 2HG ARG 35 1HG ARG 35 -2.334 -4.067 -7.195 253 1HD ARG 35 2HD ARG 35 -2.151 -6.774 -7.814 254 2HD ARG 35 1HD ARG 35 -1.121 -5.867 -6.706 255 HE ARG 35 HE ARG 35 -2.742 -6.522 -4.929 256 1HH1 ARG 35 2HH1 ARG 35 -2.454 -8.440 -7.850 257 2HH1 ARG 35 1HH1 ARG 35 -3.052 -9.891 -7.104 258 1HH2 ARG 35 2HH2 ARG 35 -3.538 -8.375 -3.959 259 2HH2 ARG 35 1HH2 ARG 35 -3.667 -9.863 -4.860 260 H CYS 36 H CYS 36 -6.195 -4.801 -4.142 261 HA CYS 36 HA CYS 36 -7.803 -7.040 -5.113 262 1HB CYS 36 2HB CYS 36 -7.942 -7.800 -2.796 263 2HB CYS 36 1HB CYS 36 -6.273 -7.560 -3.284 264 H GLY 37 H GLY 37 -8.192 -4.351 -2.827 265 1HA GLY 37 1HA GLY 37 -10.177 -2.912 -3.433 266 2HA GLY 37 2HA GLY 37 -11.073 -4.423 -3.455 267 H ARG 38 H ARG 38 -8.729 -4.517 -1.045 268 HA ARG 38 HA ARG 38 -10.618 -4.467 1.050 269 1HB ARG 38 2HB ARG 38 -7.702 -4.737 0.829 270 2HB ARG 38 1HB ARG 38 -8.248 -3.982 2.318 271 1HG ARG 38 2HG ARG 38 -9.271 -6.599 1.302 272 2HG ARG 38 1HG ARG 38 -7.986 -6.411 2.501 273 1HD ARG 38 2HD ARG 38 -9.437 -5.955 4.135 274 2HD ARG 38 1HD ARG 38 -10.348 -4.834 3.122 275 HE ARG 38 HE ARG 38 -10.724 -7.737 3.221 276 1HH1 ARG 38 2HH1 ARG 38 -11.935 -4.539 2.554 277 2HH1 ARG 38 1HH1 ARG 38 -13.541 -5.067 2.181 278 1HH2 ARG 38 2HH2 ARG 38 -12.850 -8.462 2.752 279 2HH2 ARG 38 1HH2 ARG 38 -14.067 -7.299 2.303 280 H GLU 39 H GLU 39 -10.882 -2.926 2.758 281 HA GLU 39 HA GLU 39 -11.058 -0.272 1.711 282 1HB GLU 39 2HB GLU 39 -11.599 -1.146 4.550 283 2HB GLU 39 1HB GLU 39 -12.234 0.271 3.726 284 1HG GLU 39 2HG GLU 39 -12.850 -2.559 2.916 285 2HG GLU 39 1HG GLU 39 -13.853 -1.598 4.000 286 H LYS 40 H LYS 40 -10.183 1.627 2.671 287 HA LYS 40 HA LYS 40 -7.441 1.508 3.312 288 1HB LYS 40 2HB LYS 40 -8.933 3.465 2.374 289 2HB LYS 40 1HB LYS 40 -9.131 3.867 4.074 290 1HG LYS 40 2HG LYS 40 -6.587 3.826 4.205 291 2HG LYS 40 1HG LYS 40 -6.620 3.833 2.444 292 1HD LYS 40 2HD LYS 40 -8.016 5.897 2.546 293 2HD LYS 40 1HD LYS 40 -7.765 5.917 4.294 294 1HE LYS 40 2HE LYS 40 -5.369 5.714 2.550 295 2HE LYS 40 1HE LYS 40 -6.206 7.265 2.611 296 1HZ LYS 40 1HZ LYS 40 -5.834 7.450 4.901 297 2HZ LYS 40 2HZ LYS 40 -4.349 6.920 4.268 298 3HZ LYS 40 3HZ LYS 40 -5.375 5.823 5.061 299 H THR 41 H THR 41 -7.103 0.179 5.071 300 HA THR 41 HA THR 41 -8.514 0.671 7.558 301 HB THR 41 HB THR 41 -6.367 -1.266 7.694 302 HG1 THR 41 1HG THR 41 -8.170 -1.339 5.521 303 1HG2 THR 41 1HG2 THR 41 -8.047 -1.456 9.297 304 2HG2 THR 41 2HG2 THR 41 -8.405 -2.752 8.153 305 3HG2 THR 41 3HG2 THR 41 -9.330 -1.253 8.102 306 H THR 42 H THR 42 -7.021 2.878 6.948 307 HA THR 42 HA THR 42 -4.467 2.718 8.310 308 HB THR 42 HB THR 42 -5.577 5.377 7.628 309 HG1 THR 42 1HG THR 42 -4.979 3.377 5.681 310 1HG2 THR 42 1HG2 THR 42 -3.210 5.332 6.467 311 2HG2 THR 42 2HG2 THR 42 -2.966 3.929 7.507 312 3HG2 THR 42 3HG2 THR 42 -3.348 5.498 8.217 313 H GLY 43 H GLY 43 -6.080 1.920 10.154 314 1HA GLY 43 1HA GLY 43 -6.308 4.213 11.980 315 2HA GLY 43 2HA GLY 43 -7.674 3.116 11.801 316 HA PRO 44 HA PRO 44 -5.486 0.675 14.845 317 1HB PRO 44 2HB PRO 44 -7.430 -1.137 15.288 318 2HB PRO 44 1HB PRO 44 -7.520 0.509 15.919 319 1HG PRO 44 2HG PRO 44 -8.999 -0.735 13.684 320 2HG PRO 44 1HG PRO 44 -9.458 0.620 14.726 321 1HD PRO 44 2HD PRO 44 -8.400 0.745 12.088 322 2HD PRO 44 1HD PRO 44 -8.725 2.101 13.182 323 H ILE 45 H ILE 45 -3.859 -0.484 13.978 324 HA ILE 45 HA ILE 45 -4.473 -2.514 11.953 325 HB ILE 45 HB ILE 45 -1.646 -2.096 12.611 326 1HG1 ILE 45 2HG1 ILE 45 -2.225 0.094 10.918 327 1HG2 ILE 45 1HG2 ILE 45 -2.460 -3.418 10.709 328 2HG2 ILE 45 2HG2 ILE 45 -3.172 -1.961 10.015 329 3HG2 ILE 45 3HG2 ILE 45 -1.423 -2.086 10.195 330 1HD1 ILE 45 1HD1 ILE 45 -0.980 1.347 12.369 331 2HD1 ILE 45 2HD1 ILE 45 -1.624 0.532 13.796 332 3HD1 ILE 45 3HD1 ILE 45 -0.429 -0.277 12.783 Start of MODEL 11 1 1H GLY 1 1H GLY 1 9.704 -9.337 18.074 2 2H GLY 1 2H GLY 1 10.562 -9.839 16.698 3 3H GLY 1 3H GLY 1 9.395 -8.617 16.568 4 1HA GLY 1 2HA GLY 1 10.966 -7.522 18.401 5 2HA GLY 1 1HA GLY 1 12.141 -8.483 17.516 6 H SER 2 H SER 2 13.210 -7.138 16.246 7 HA SER 2 HA SER 2 11.912 -4.862 15.019 8 1HB SER 2 2HB SER 2 14.600 -5.365 14.083 9 2HB SER 2 1HB SER 2 13.988 -4.012 15.035 10 HG SER 2 HG SER 2 14.854 -6.545 16.001 11 H MET 3 H MET 3 10.428 -6.378 13.831 12 HA MET 3 HA MET 3 11.571 -7.784 11.571 13 1HB MET 3 2HB MET 3 9.462 -8.434 12.960 14 2HB MET 3 1HB MET 3 8.635 -7.267 11.936 15 1HG MET 3 2HG MET 3 9.653 -8.581 9.977 16 2HG MET 3 1HG MET 3 9.942 -9.846 11.170 17 1HE MET 3 1HE MET 3 6.096 -7.749 10.469 18 2HE MET 3 2HE MET 3 7.655 -7.405 9.717 19 3HE MET 3 3HE MET 3 6.508 -8.481 8.917 20 H SER 4 H SER 4 12.538 -5.584 11.006 21 HA SER 4 HA SER 4 10.700 -3.979 9.382 22 1HB SER 4 2HB SER 4 13.354 -2.888 9.516 23 2HB SER 4 1HB SER 4 11.856 -2.226 10.175 24 HG SER 4 HG SER 4 13.325 -2.577 11.849 25 H THR 5 H THR 5 12.034 -2.968 7.411 26 HA THR 5 HA THR 5 13.807 -4.927 6.184 27 HB THR 5 HB THR 5 11.477 -5.575 5.510 28 HG1 THR 5 1HG THR 5 12.382 -6.244 3.726 29 1HG2 THR 5 1HG2 THR 5 11.455 -2.751 4.592 30 2HG2 THR 5 2HG2 THR 5 10.145 -3.742 5.236 31 3HG2 THR 5 3HG2 THR 5 10.663 -3.944 3.561 32 H LYS 6 H LYS 6 13.913 -3.820 3.636 33 HA LYS 6 HA LYS 6 15.208 -1.272 4.186 34 1HB LYS 6 2HB LYS 6 15.367 -3.338 2.111 35 2HB LYS 6 1HB LYS 6 15.406 -1.702 1.465 36 1HG LYS 6 2HG LYS 6 17.572 -1.669 1.916 37 2HG LYS 6 1HG LYS 6 17.148 -1.641 3.628 38 1HD LYS 6 2HD LYS 6 17.982 -3.683 3.916 39 2HD LYS 6 1HD LYS 6 16.971 -4.323 2.618 40 1HE LYS 6 2HE LYS 6 18.758 -4.536 1.316 41 2HE LYS 6 1HE LYS 6 19.071 -2.805 1.450 42 1HZ LYS 6 1HZ LYS 6 20.275 -3.264 3.534 43 2HZ LYS 6 2HZ LYS 6 20.983 -4.011 2.187 44 3HZ LYS 6 3HZ LYS 6 20.059 -4.930 3.277 45 H ASN 7 H ASN 7 13.022 -0.433 4.746 46 HA ASN 7 HA ASN 7 10.885 -0.109 3.040 47 1HB ASN 7 2HB ASN 7 10.594 0.497 5.307 48 2HB ASN 7 1HB ASN 7 11.946 1.624 5.265 49 1HD2 ASN 7 1HD2 ASN 7 11.160 3.582 5.584 50 2HD2 ASN 7 2HD2 ASN 7 9.778 4.264 4.800 51 H PHE 8 H PHE 8 10.813 0.705 1.074 52 HA PHE 8 HA PHE 8 12.861 2.300 -0.026 53 1HB PHE 8 2HB PHE 8 10.672 0.736 -0.953 54 2HB PHE 8 1HB PHE 8 10.501 2.349 -1.634 55 HD1 PHE 8 1HD PHE 8 13.135 -0.242 -1.098 56 HD2 PHE 8 2HD PHE 8 11.529 2.780 -3.627 57 HE1 PHE 8 1HE PHE 8 14.793 -0.808 -2.825 58 HE2 PHE 8 2HE PHE 8 13.186 2.220 -5.355 59 HZ PHE 8 HZ PHE 8 14.816 0.424 -4.955 60 H ARG 9 H ARG 9 11.972 4.150 -1.480 61 HA ARG 9 HA ARG 9 11.139 6.209 0.379 62 1HB ARG 9 2HB ARG 9 12.560 6.113 -2.182 63 2HB ARG 9 1HB ARG 9 11.451 7.471 -2.040 64 1HG ARG 9 2HG ARG 9 12.792 7.416 0.388 65 2HG ARG 9 1HG ARG 9 14.031 7.062 -0.817 66 1HD ARG 9 2HD ARG 9 12.388 9.159 -1.811 67 2HD ARG 9 1HD ARG 9 12.855 9.562 -0.159 68 HE ARG 9 HE ARG 9 14.586 9.360 -2.478 69 1HH1 ARG 9 2HH1 ARG 9 14.345 9.624 1.012 70 2HH1 ARG 9 1HH1 ARG 9 16.006 10.112 1.218 71 1HH2 ARG 9 2HH2 ARG 9 16.772 9.968 -2.211 72 2HH2 ARG 9 1HH2 ARG 9 17.399 10.271 -0.618 73 H VAL 10 H VAL 10 9.085 4.481 -0.058 74 HA VAL 10 HA VAL 10 7.209 6.087 -1.667 75 HB VAL 10 HB VAL 10 5.975 3.634 -1.321 76 1HG1 VAL 10 1HG1 VAL 10 7.447 3.845 -3.830 77 2HG1 VAL 10 2HG1 VAL 10 5.708 3.821 -3.532 78 3HG1 VAL 10 3HG1 VAL 10 6.607 5.331 -3.381 79 1HG2 VAL 10 1HG2 VAL 10 7.403 1.890 -1.536 80 2HG2 VAL 10 2HG2 VAL 10 8.572 2.818 -2.477 81 3HG2 VAL 10 3HG2 VAL 10 8.510 2.996 -0.723 82 H SER 11 H SER 11 8.137 5.892 1.288 83 HA SER 11 HA SER 11 5.575 5.333 2.577 84 1HB SER 11 2HB SER 11 7.530 6.121 4.449 85 2HB SER 11 1HB SER 11 6.883 4.500 4.189 86 HG SER 11 HG SER 11 8.648 3.959 3.147 87 H ASP 12 H ASP 12 5.366 7.510 1.100 88 HA ASP 12 HA ASP 12 5.919 9.923 2.588 89 1HB ASP 12 2HB ASP 12 5.815 9.609 0.001 90 2HB ASP 12 1HB ASP 12 4.075 9.761 0.217 91 H GLY 13 H GLY 13 3.259 11.067 1.663 92 1HA GLY 13 1HA GLY 13 1.708 10.291 4.000 93 2HA GLY 13 2HA GLY 13 1.327 11.578 2.864 94 H ASP 14 H ASP 14 2.145 8.744 1.307 95 HA ASP 14 HA ASP 14 -0.640 8.214 0.603 96 1HB ASP 14 2HB ASP 14 2.011 7.632 -0.662 97 2HB ASP 14 1HB ASP 14 0.654 6.577 -1.040 98 H TRP 15 H TRP 15 -0.681 5.641 -0.063 99 HA TRP 15 HA TRP 15 0.523 4.043 2.045 100 1HB TRP 15 2HB TRP 15 -1.542 3.011 2.747 101 2HB TRP 15 1HB TRP 15 -1.729 4.753 2.909 102 HD1 TRP 15 HD TRP 15 -2.911 5.860 0.508 103 HE1 TRP 15 1HE TRP 15 -5.046 5.032 -0.640 104 HE3 TRP 15 3HE TRP 15 -3.022 1.119 2.400 105 HZ2 TRP 15 2HZ TRP 15 -6.593 2.654 -0.730 106 HZ3 TRP 15 3HZ TRP 15 -4.857 -0.370 1.740 107 HH2 TRP 15 HH TRP 15 -6.614 0.368 0.194 108 H ILE 16 H ILE 16 0.581 1.798 1.502 109 HA ILE 16 HA ILE 16 0.288 1.348 -1.362 110 HB ILE 16 HB ILE 16 1.390 -0.938 -0.643 111 1HG1 ILE 16 2HG1 ILE 16 2.843 0.648 1.383 112 1HG2 ILE 16 1HG2 ILE 16 3.379 -0.104 -1.429 113 2HG2 ILE 16 2HG2 ILE 16 2.261 1.150 -1.966 114 3HG2 ILE 16 3HG2 ILE 16 3.233 1.399 -0.518 115 1HD1 ILE 16 1HD1 ILE 16 2.284 -2.146 0.796 116 2HD1 ILE 16 2HD1 ILE 16 3.647 -1.408 1.641 117 3HD1 ILE 16 3HD1 ILE 16 2.150 -1.748 2.508 118 H CYS 17 H CYS 17 -0.100 -0.920 1.314 119 HA CYS 17 HA CYS 17 -2.898 -1.327 0.700 120 1HB CYS 17 2HB CYS 17 -0.704 -3.246 0.057 121 2HB CYS 17 1HB CYS 17 -2.228 -3.902 0.639 122 HA PRO 18 HA PRO 18 -2.965 -1.951 5.024 123 1HB PRO 18 2HB PRO 18 -5.272 -3.724 4.820 124 2HB PRO 18 1HB PRO 18 -5.186 -2.072 5.436 125 1HG PRO 18 2HG PRO 18 -6.438 -2.664 3.130 126 2HG PRO 18 1HG PRO 18 -5.554 -1.140 3.368 127 1HD PRO 18 2HD PRO 18 -4.637 -3.641 1.972 128 2HD PRO 18 1HD PRO 18 -4.511 -1.951 1.442 129 H ASP 19 H ASP 19 -2.703 -4.644 2.950 130 HA ASP 19 HA ASP 19 -2.213 -6.483 5.204 131 1HB ASP 19 2HB ASP 19 -4.368 -6.794 3.885 132 2HB ASP 19 1HB ASP 19 -3.361 -7.243 2.519 133 H LYS 20 H LYS 20 -0.804 -8.299 4.673 134 HA LYS 20 HA LYS 20 1.372 -7.515 2.892 135 1HB LYS 20 2HB LYS 20 2.471 -9.595 3.829 136 2HB LYS 20 1HB LYS 20 2.136 -8.324 4.995 137 1HG LYS 20 2HG LYS 20 0.085 -9.552 5.663 138 2HG LYS 20 1HG LYS 20 0.574 -10.863 4.586 139 1HD LYS 20 2HD LYS 20 2.805 -10.221 6.195 140 2HD LYS 20 1HD LYS 20 1.404 -10.336 7.263 141 1HE LYS 20 2HE LYS 20 2.312 -12.507 7.153 142 2HE LYS 20 1HE LYS 20 0.881 -12.531 6.124 143 1HZ LYS 20 1HZ LYS 20 3.481 -11.920 4.903 144 2HZ LYS 20 2HZ LYS 20 2.127 -12.691 4.236 145 3HZ LYS 20 3HZ LYS 20 3.131 -13.533 5.311 146 H LYS 21 H LYS 21 -1.411 -9.468 2.944 147 HA LYS 21 HA LYS 21 -0.578 -11.104 0.674 148 1HB LYS 21 2HB LYS 21 -3.364 -10.922 1.811 149 2HB LYS 21 1HB LYS 21 -2.643 -12.247 0.908 150 1HG LYS 21 2HG LYS 21 -1.424 -12.999 2.729 151 2HG LYS 21 1HG LYS 21 -1.539 -11.453 3.571 152 1HD LYS 21 2HD LYS 21 -4.156 -12.116 3.357 153 2HD LYS 21 1HD LYS 21 -3.419 -13.714 3.492 154 1HE LYS 21 2HE LYS 21 -3.493 -13.358 5.696 155 2HE LYS 21 1HE LYS 21 -2.103 -12.307 5.431 156 1HZ LYS 21 1HZ LYS 21 -3.811 -10.496 5.034 157 2HZ LYS 21 2HZ LYS 21 -3.619 -11.023 6.637 158 3HZ LYS 21 3HZ LYS 21 -4.947 -11.553 5.721 159 H CYS 22 H CYS 22 -1.259 -8.032 0.995 160 HA CYS 22 HA CYS 22 -3.075 -7.724 -1.275 161 1HB CYS 22 2HB CYS 22 -2.524 -6.271 1.143 162 2HB CYS 22 1HB CYS 22 -2.153 -5.241 -0.231 163 H GLY 23 H GLY 23 -0.624 -5.443 -0.411 164 1HA GLY 23 1HA GLY 23 1.401 -4.843 -1.281 165 2HA GLY 23 2HA GLY 23 1.452 -6.386 -2.121 166 H ASN 24 H ASN 24 -0.644 -3.502 -2.343 167 HA ASN 24 HA ASN 24 0.234 -3.197 -5.145 168 1HB ASN 24 2HB ASN 24 -2.063 -3.910 -5.164 169 2HB ASN 24 1HB ASN 24 -2.490 -2.783 -3.893 170 1HD2 ASN 24 1HD2 ASN 24 -3.395 -0.970 -4.462 171 2HD2 ASN 24 2HD2 ASN 24 -3.368 -0.263 -6.042 172 H VAL 25 H VAL 25 -0.029 -0.855 -5.889 173 HA VAL 25 HA VAL 25 0.699 0.951 -3.689 174 HB VAL 25 HB VAL 25 1.393 2.414 -5.804 175 1HG1 VAL 25 1HG1 VAL 25 3.018 0.152 -4.650 176 2HG1 VAL 25 2HG1 VAL 25 3.677 1.521 -5.549 177 3HG1 VAL 25 3HG1 VAL 25 2.882 1.787 -3.996 178 1HG2 VAL 25 1HG2 VAL 25 1.642 -0.431 -6.781 179 2HG2 VAL 25 2HG2 VAL 25 0.651 0.846 -7.489 180 3HG2 VAL 25 3HG2 VAL 25 2.411 0.967 -7.533 181 H ASN 26 H ASN 26 -1.072 1.974 -2.987 182 HA ASN 26 HA ASN 26 -3.156 2.695 -4.918 183 1HB ASN 26 2HB ASN 26 -3.144 2.165 -1.968 184 2HB ASN 26 1HB ASN 26 -4.445 3.111 -2.694 185 1HD2 ASN 26 1HD2 ASN 26 -3.608 0.108 -1.748 186 2HD2 ASN 26 2HD2 ASN 26 -4.662 -0.812 -2.766 187 H PHE 27 H PHE 27 -4.468 4.684 -4.070 188 HA PHE 27 HA PHE 27 -2.578 6.893 -3.757 189 1HB PHE 27 2HB PHE 27 -4.602 6.595 -5.535 190 2HB PHE 27 1HB PHE 27 -5.436 7.446 -4.240 191 HD1 PHE 27 1HD PHE 27 -5.777 9.579 -5.011 192 HD2 PHE 27 2HD PHE 27 -1.942 7.791 -5.459 193 HE1 PHE 27 1HE PHE 27 -4.880 11.716 -5.834 194 HE2 PHE 27 2HE PHE 27 -1.038 9.927 -6.283 195 HZ PHE 27 HZ PHE 27 -2.511 11.893 -6.469 196 H ALA 28 H ALA 28 -2.598 8.158 -2.021 197 HA ALA 28 HA ALA 28 -3.467 7.418 0.448 198 1HB ALA 28 1HB ALA 28 -3.503 10.318 0.097 199 2HB ALA 28 2HB ALA 28 -2.527 9.310 1.166 200 3HB ALA 28 3HB ALA 28 -2.056 9.521 -0.520 201 H ARG 29 H ARG 29 -5.171 9.745 -1.659 202 HA ARG 29 HA ARG 29 -7.315 10.110 0.166 203 1HB ARG 29 2HB ARG 29 -8.110 11.648 -1.312 204 2HB ARG 29 1HB ARG 29 -6.460 11.535 -1.906 205 1HG ARG 29 2HG ARG 29 -7.183 10.004 -3.655 206 2HG ARG 29 1HG ARG 29 -8.839 10.085 -3.048 207 1HD ARG 29 2HD ARG 29 -9.067 12.336 -3.660 208 2HD ARG 29 1HD ARG 29 -7.328 12.541 -3.868 209 HE ARG 29 HE ARG 29 -8.936 10.833 -5.662 210 1HH1 ARG 29 2HH1 ARG 29 -6.524 13.326 -5.124 211 2HH1 ARG 29 1HH1 ARG 29 -6.198 13.547 -6.820 212 1HH2 ARG 29 2HH2 ARG 29 -8.509 11.134 -7.891 213 2HH2 ARG 29 1HH2 ARG 29 -7.328 12.308 -8.386 214 H ARG 30 H ARG 30 -6.608 7.603 -2.022 215 HA ARG 30 HA ARG 30 -9.299 6.747 -2.528 216 1HB ARG 30 2HB ARG 30 -6.602 5.835 -3.195 217 2HB ARG 30 1HB ARG 30 -7.681 4.507 -2.797 218 1HG ARG 30 2HG ARG 30 -8.535 6.603 -4.742 219 2HG ARG 30 1HG ARG 30 -7.463 5.297 -5.245 220 1HD ARG 30 2HD ARG 30 -9.125 3.665 -4.374 221 2HD ARG 30 1HD ARG 30 -10.213 5.012 -4.044 222 HE ARG 30 HE ARG 30 -9.301 4.953 -6.764 223 1HH1 ARG 30 2HH1 ARG 30 -11.627 3.564 -4.538 224 2HH1 ARG 30 1HH1 ARG 30 -12.814 3.252 -5.770 225 1HH2 ARG 30 2HH2 ARG 30 -10.851 4.555 -8.382 226 2HH2 ARG 30 1HH2 ARG 30 -12.374 3.818 -7.965 227 H THR 31 H THR 31 -10.547 5.427 -1.319 228 HA THR 31 HA THR 31 -9.418 4.552 1.243 229 HB THR 31 HB THR 31 -12.280 4.147 0.966 230 HG1 THR 31 1HG THR 31 -12.786 6.416 0.875 231 1HG2 THR 31 1HG2 THR 31 -11.812 4.302 3.157 232 2HG2 THR 31 2HG2 THR 31 -11.872 6.048 2.899 233 3HG2 THR 31 3HG2 THR 31 -10.321 5.203 2.868 234 H SER 32 H SER 32 -9.737 3.332 -1.721 235 HA SER 32 HA SER 32 -10.145 0.607 -0.724 236 1HB SER 32 2HB SER 32 -11.087 0.528 -3.330 237 2HB SER 32 1HB SER 32 -12.079 0.533 -1.873 238 HG SER 32 HG SER 32 -12.772 2.425 -2.435 239 H CYS 33 H CYS 33 -9.002 -1.002 -1.761 240 HA CYS 33 HA CYS 33 -6.539 -0.316 -2.994 241 1HB CYS 33 2HB CYS 33 -8.040 -2.852 -2.507 242 2HB CYS 33 1HB CYS 33 -6.561 -2.873 -3.454 243 H ASP 34 H ASP 34 -5.875 -0.539 -5.113 244 HA ASP 34 HA ASP 34 -7.937 -0.298 -7.121 245 1HB ASP 34 2HB ASP 34 -6.123 1.210 -7.385 246 2HB ASP 34 1HB ASP 34 -4.928 -0.067 -7.190 247 H ARG 35 H ARG 35 -5.333 -2.592 -6.382 248 HA ARG 35 HA ARG 35 -6.063 -4.222 -8.684 249 1HB ARG 35 2HB ARG 35 -3.744 -4.083 -6.831 250 2HB ARG 35 1HB ARG 35 -4.096 -5.636 -7.573 251 1HG ARG 35 2HG ARG 35 -3.553 -3.057 -9.018 252 2HG ARG 35 1HG ARG 35 -2.450 -4.423 -8.855 253 1HD ARG 35 2HD ARG 35 -3.750 -5.787 -10.243 254 2HD ARG 35 1HD ARG 35 -5.164 -4.742 -10.099 255 HE ARG 35 HE ARG 35 -3.241 -3.175 -11.267 256 1HH1 ARG 35 2HH1 ARG 35 -4.779 -6.231 -12.050 257 2HH1 ARG 35 1HH1 ARG 35 -4.600 -6.023 -13.766 258 1HH2 ARG 35 2HH2 ARG 35 -3.018 -2.910 -13.531 259 2HH2 ARG 35 1HH2 ARG 35 -3.616 -4.137 -14.599 260 H CYS 36 H CYS 36 -5.762 -4.542 -5.176 261 HA CYS 36 HA CYS 36 -6.624 -7.251 -5.127 262 1HB CYS 36 2HB CYS 36 -6.718 -5.865 -2.614 263 2HB CYS 36 1HB CYS 36 -5.558 -7.074 -3.175 264 H GLY 37 H GLY 37 -8.110 -4.168 -4.122 265 1HA GLY 37 1HA GLY 37 -10.405 -3.682 -4.515 266 2HA GLY 37 2HA GLY 37 -10.731 -5.408 -4.570 267 H ARG 38 H ARG 38 -8.748 -4.267 -1.999 268 HA ARG 38 HA ARG 38 -10.940 -4.665 -0.120 269 1HB ARG 38 2HB ARG 38 -7.959 -4.629 0.091 270 2HB ARG 38 1HB ARG 38 -8.922 -4.303 1.528 271 1HG ARG 38 2HG ARG 38 -8.767 -6.541 1.768 272 2HG ARG 38 1HG ARG 38 -10.156 -6.517 0.680 273 1HD ARG 38 2HD ARG 38 -8.801 -8.050 -0.368 274 2HD ARG 38 1HD ARG 38 -8.322 -6.560 -1.183 275 HE ARG 38 HE ARG 38 -6.276 -6.603 -0.062 276 1HH1 ARG 38 2HH1 ARG 38 -8.332 -9.267 0.934 277 2HH1 ARG 38 1HH1 ARG 38 -7.057 -10.094 1.782 278 1HH2 ARG 38 2HH2 ARG 38 -4.629 -7.644 1.036 279 2HH2 ARG 38 1HH2 ARG 38 -4.942 -9.134 1.889 280 H GLU 39 H GLU 39 -9.991 -3.047 1.976 281 HA GLU 39 HA GLU 39 -10.300 -0.338 0.852 282 1HB GLU 39 2HB GLU 39 -11.447 -1.135 3.514 283 2HB GLU 39 1HB GLU 39 -11.821 0.280 2.540 284 1HG GLU 39 2HG GLU 39 -13.644 -0.864 1.967 285 2HG GLU 39 1HG GLU 39 -12.563 -1.718 0.870 286 H LYS 40 H LYS 40 -9.450 1.375 2.218 287 HA LYS 40 HA LYS 40 -6.896 0.705 3.310 288 1HB LYS 40 2HB LYS 40 -7.360 2.838 2.117 289 2HB LYS 40 1HB LYS 40 -8.387 3.335 3.454 290 1HG LYS 40 2HG LYS 40 -6.540 3.446 4.945 291 2HG LYS 40 1HG LYS 40 -5.473 2.662 3.780 292 1HD LYS 40 2HD LYS 40 -4.967 4.991 3.742 293 2HD LYS 40 1HD LYS 40 -5.849 4.625 2.259 294 1HE LYS 40 2HE LYS 40 -7.828 5.276 4.086 295 2HE LYS 40 1HE LYS 40 -6.532 6.420 4.433 296 1HZ LYS 40 1HZ LYS 40 -7.716 5.947 1.745 297 2HZ LYS 40 2HZ LYS 40 -6.527 7.091 2.127 298 3HZ LYS 40 3HZ LYS 40 -8.088 7.252 2.764 299 H THR 41 H THR 41 -7.750 -0.812 4.929 300 HA THR 41 HA THR 41 -9.127 0.230 7.227 301 HB THR 41 HB THR 41 -8.475 -2.070 8.180 302 HG1 THR 41 1HG THR 41 -7.765 -3.561 6.554 303 1HG2 THR 41 1HG2 THR 41 -9.943 -2.403 5.597 304 2HG2 THR 41 2HG2 THR 41 -10.621 -1.342 6.838 305 3HG2 THR 41 3HG2 THR 41 -10.325 -3.044 7.199 306 H THR 42 H THR 42 -5.943 -1.301 6.848 307 HA THR 42 HA THR 42 -4.991 0.198 9.174 308 HB THR 42 HB THR 42 -3.258 -1.886 8.018 309 HG1 THR 42 1HG THR 42 -5.889 -2.402 8.925 310 1HG2 THR 42 1HG2 THR 42 -4.316 -1.551 10.822 311 2HG2 THR 42 2HG2 THR 42 -2.915 -0.679 10.202 312 3HG2 THR 42 3HG2 THR 42 -2.882 -2.437 10.306 313 H GLY 43 H GLY 43 -4.029 2.051 8.668 314 1HA GLY 43 1HA GLY 43 -1.933 2.008 6.607 315 2HA GLY 43 2HA GLY 43 -3.189 3.234 6.503 316 HA PRO 44 HA PRO 44 -0.040 4.173 10.023 317 1HB PRO 44 2HB PRO 44 2.437 4.113 8.555 318 2HB PRO 44 1HB PRO 44 1.966 3.144 9.951 319 1HG PRO 44 2HG PRO 44 2.347 2.127 7.431 320 2HG PRO 44 1HG PRO 44 1.307 1.380 8.657 321 1HD PRO 44 2HD PRO 44 0.558 3.103 6.330 322 2HD PRO 44 1HD PRO 44 -0.255 1.659 6.971 323 H ILE 45 H ILE 45 -1.467 5.929 8.740 324 HA ILE 45 HA ILE 45 0.100 7.857 7.287 325 HB ILE 45 HB ILE 45 -2.702 8.076 8.410 326 1HG1 ILE 45 2HG1 ILE 45 -1.996 7.719 5.513 327 1HG2 ILE 45 1HG2 ILE 45 -1.281 9.808 6.393 328 2HG2 ILE 45 2HG2 ILE 45 -2.968 9.962 6.882 329 3HG2 ILE 45 3HG2 ILE 45 -1.680 10.264 8.047 330 1HD1 ILE 45 1HD1 ILE 45 -4.174 6.649 5.384 331 2HD1 ILE 45 2HD1 ILE 45 -4.414 6.919 7.111 332 3HD1 ILE 45 3HD1 ILE 45 -4.298 8.291 6.011 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -0.807 -0.278 -25.885 2 2H GLY 1 2H GLY 1 -1.069 -1.756 -25.101 3 3H GLY 1 3H GLY 1 0.510 -1.188 -25.329 4 1HA GLY 1 2HA GLY 1 -1.212 -0.741 -23.167 5 2HA GLY 1 1HA GLY 1 0.445 -0.192 -23.376 6 H SER 2 H SER 2 -1.771 1.183 -22.103 7 HA SER 2 HA SER 2 -2.144 3.465 -23.908 8 1HB SER 2 2HB SER 2 -3.414 3.806 -21.345 9 2HB SER 2 1HB SER 2 -4.154 3.680 -22.942 10 HG SER 2 HG SER 2 -4.930 1.916 -22.020 11 H MET 3 H MET 3 -0.417 2.442 -21.097 12 HA MET 3 HA MET 3 0.422 5.205 -20.546 13 1HB MET 3 2HB MET 3 -0.431 4.141 -18.570 14 2HB MET 3 1HB MET 3 0.544 2.705 -18.851 15 1HG MET 3 2HG MET 3 2.575 4.174 -18.561 16 2HG MET 3 1HG MET 3 1.478 5.433 -18.006 17 1HE MET 3 1HE MET 3 1.461 1.367 -15.860 18 2HE MET 3 2HE MET 3 0.940 1.692 -17.514 19 3HE MET 3 3HE MET 3 2.659 1.624 -17.130 20 H SER 4 H SER 4 2.169 5.735 -21.669 21 HA SER 4 HA SER 4 4.332 3.787 -21.992 22 1HB SER 4 2HB SER 4 5.072 6.265 -23.126 23 2HB SER 4 1HB SER 4 4.547 4.813 -23.982 24 HG SER 4 HG SER 4 3.155 7.141 -23.372 25 H THR 5 H THR 5 5.967 3.769 -20.604 26 HA THR 5 HA THR 5 7.285 4.274 -18.823 27 HB THR 5 HB THR 5 6.565 7.186 -19.204 28 HG1 THR 5 1HG THR 5 7.563 5.812 -21.064 29 1HG2 THR 5 1HG2 THR 5 9.204 6.984 -18.439 30 2HG2 THR 5 2HG2 THR 5 8.421 5.711 -17.504 31 3HG2 THR 5 3HG2 THR 5 7.849 7.375 -17.378 32 H LYS 6 H LYS 6 6.817 3.954 -16.732 33 HA LYS 6 HA LYS 6 4.170 4.011 -15.813 34 1HB LYS 6 2HB LYS 6 6.690 3.136 -14.841 35 2HB LYS 6 1HB LYS 6 5.965 4.132 -13.587 36 1HG LYS 6 2HG LYS 6 3.848 2.633 -14.176 37 2HG LYS 6 1HG LYS 6 5.118 1.509 -14.661 38 1HD LYS 6 2HD LYS 6 5.620 2.803 -12.089 39 2HD LYS 6 1HD LYS 6 4.156 1.821 -12.116 40 1HE LYS 6 2HE LYS 6 5.612 0.170 -11.600 41 2HE LYS 6 1HE LYS 6 5.828 0.132 -13.349 42 1HZ LYS 6 1HZ LYS 6 7.845 0.328 -11.663 43 2HZ LYS 6 2HZ LYS 6 7.519 1.979 -11.847 44 3HZ LYS 6 3HZ LYS 6 7.883 1.030 -13.204 45 H ASN 7 H ASN 7 3.006 5.794 -15.569 46 HA ASN 7 HA ASN 7 4.284 8.215 -14.531 47 1HB ASN 7 2HB ASN 7 2.214 9.369 -15.251 48 2HB ASN 7 1HB ASN 7 3.018 8.531 -16.573 49 1HD2 ASN 7 1HD2 ASN 7 0.687 9.073 -17.287 50 2HD2 ASN 7 2HD2 ASN 7 -0.452 7.780 -17.113 51 H PHE 8 H PHE 8 3.360 5.727 -13.043 52 HA PHE 8 HA PHE 8 1.273 6.626 -11.303 53 1HB PHE 8 2HB PHE 8 2.372 4.166 -11.893 54 2HB PHE 8 1HB PHE 8 3.000 4.486 -10.281 55 HD1 PHE 8 1HD PHE 8 0.070 3.696 -12.260 56 HD2 PHE 8 2HD PHE 8 1.460 4.791 -8.391 57 HE1 PHE 8 1HE PHE 8 -2.075 2.983 -11.292 58 HE2 PHE 8 2HE PHE 8 -0.681 4.079 -7.415 59 HZ PHE 8 HZ PHE 8 -2.455 3.172 -8.866 60 H ARG 9 H ARG 9 2.415 8.705 -10.923 61 HA ARG 9 HA ARG 9 4.691 8.731 -9.187 62 1HB ARG 9 2HB ARG 9 3.941 11.205 -8.920 63 2HB ARG 9 1HB ARG 9 4.552 10.661 -10.474 64 1HG ARG 9 2HG ARG 9 2.596 11.008 -11.508 65 2HG ARG 9 1HG ARG 9 1.649 10.403 -10.147 66 1HD ARG 9 2HD ARG 9 1.432 12.457 -9.210 67 2HD ARG 9 1HD ARG 9 3.035 12.978 -9.728 68 HE ARG 9 HE ARG 9 1.555 12.806 -12.034 69 1HH1 ARG 9 2HH1 ARG 9 1.277 14.599 -9.027 70 2HH1 ARG 9 1HH1 ARG 9 0.448 15.931 -9.768 71 1HH2 ARG 9 2HH2 ARG 9 0.460 14.552 -12.990 72 2HH2 ARG 9 1HH2 ARG 9 -0.003 15.918 -12.009 73 H VAL 10 H VAL 10 3.807 7.235 -7.592 74 HA VAL 10 HA VAL 10 1.628 7.869 -5.938 75 HB VAL 10 HB VAL 10 2.422 5.643 -5.844 76 1HG1 VAL 10 1HG1 VAL 10 4.666 5.817 -6.547 77 2HG1 VAL 10 2HG1 VAL 10 5.106 6.806 -5.156 78 3HG1 VAL 10 3HG1 VAL 10 4.708 5.102 -4.936 79 1HG2 VAL 10 1HG2 VAL 10 3.038 7.109 -3.291 80 2HG2 VAL 10 2HG2 VAL 10 1.549 6.278 -3.741 81 3HG2 VAL 10 3HG2 VAL 10 3.011 5.350 -3.409 82 H SER 11 H SER 11 1.462 9.777 -5.003 83 HA SER 11 HA SER 11 3.795 11.233 -4.131 84 1HB SER 11 2HB SER 11 1.101 12.286 -3.517 85 2HB SER 11 1HB SER 11 2.471 13.079 -4.294 86 HG SER 11 HG SER 11 1.833 11.396 -6.061 87 H ASP 12 H ASP 12 3.806 12.274 -1.973 88 HA ASP 12 HA ASP 12 3.609 10.357 0.075 89 1HB ASP 12 2HB ASP 12 4.886 11.829 1.162 90 2HB ASP 12 1HB ASP 12 4.738 12.890 -0.222 91 H GLY 13 H GLY 13 2.335 10.558 2.054 92 1HA GLY 13 1HA GLY 13 0.217 10.685 3.070 93 2HA GLY 13 2HA GLY 13 -0.383 11.538 1.649 94 H ASP 14 H ASP 14 1.499 8.845 1.048 95 HA ASP 14 HA ASP 14 -0.645 7.459 -0.276 96 1HB ASP 14 2HB ASP 14 1.179 5.999 -1.082 97 2HB ASP 14 1HB ASP 14 1.550 7.702 -1.339 98 H TRP 15 H TRP 15 -0.611 5.008 -0.129 99 HA TRP 15 HA TRP 15 0.341 3.825 2.299 100 1HB TRP 15 2HB TRP 15 -1.774 3.093 3.191 101 2HB TRP 15 1HB TRP 15 -1.809 4.844 3.041 102 HD1 TRP 15 HD TRP 15 -3.225 5.774 0.785 103 HE1 TRP 15 1HE TRP 15 -5.416 4.845 -0.201 104 HE3 TRP 15 3HE TRP 15 -3.127 1.079 2.829 105 HZ2 TRP 15 2HZ TRP 15 -6.907 2.446 -0.120 106 HZ3 TRP 15 3HZ TRP 15 -4.960 -0.462 2.335 107 HH2 TRP 15 HH TRP 15 -6.817 0.202 0.880 108 H ILE 16 H ILE 16 0.251 1.543 2.253 109 HA ILE 16 HA ILE 16 -0.400 0.422 -0.388 110 HB ILE 16 HB ILE 16 0.973 -1.569 0.484 111 1HG1 ILE 16 2HG1 ILE 16 2.643 0.196 2.098 112 1HG2 ILE 16 1HG2 ILE 16 2.739 0.799 0.111 113 2HG2 ILE 16 2HG2 ILE 16 2.821 -0.802 -0.624 114 3HG2 ILE 16 3HG2 ILE 16 1.616 0.362 -1.178 115 1HD1 ILE 16 1HD1 ILE 16 2.922 -2.253 1.977 116 2HD1 ILE 16 2HD1 ILE 16 2.723 -1.648 3.621 117 3HD1 ILE 16 3HD1 ILE 16 1.374 -2.437 2.802 118 H CYS 17 H CYS 17 -1.444 -1.688 -0.396 119 HA CYS 17 HA CYS 17 -3.767 -1.877 0.995 120 1HB CYS 17 2HB CYS 17 -2.779 -3.326 -0.952 121 2HB CYS 17 1HB CYS 17 -2.288 -4.397 0.351 122 HA PRO 18 HA PRO 18 -2.857 -2.669 5.170 123 1HB PRO 18 2HB PRO 18 -5.247 -4.400 5.312 124 2HB PRO 18 1HB PRO 18 -4.896 -2.899 6.174 125 1HG PRO 18 2HG PRO 18 -6.701 -2.973 4.206 126 2HG PRO 18 1HG PRO 18 -5.638 -1.570 4.427 127 1HD PRO 18 2HD PRO 18 -5.421 -3.823 2.461 128 2HD PRO 18 1HD PRO 18 -5.169 -2.085 2.206 129 H ASP 19 H ASP 19 -3.314 -5.293 2.978 130 HA ASP 19 HA ASP 19 -2.123 -7.190 4.894 131 1HB ASP 19 2HB ASP 19 -4.471 -7.618 3.816 132 2HB ASP 19 1HB ASP 19 -3.534 -8.066 2.395 133 H LYS 20 H LYS 20 -0.514 -8.626 4.114 134 HA LYS 20 HA LYS 20 1.289 -7.252 2.315 135 1HB LYS 20 2HB LYS 20 2.933 -8.939 3.032 136 2HB LYS 20 1HB LYS 20 2.171 -8.137 4.397 137 1HG LYS 20 2HG LYS 20 0.865 -10.030 4.913 138 2HG LYS 20 1HG LYS 20 1.234 -10.797 3.365 139 1HD LYS 20 2HD LYS 20 3.433 -10.126 5.284 140 2HD LYS 20 1HD LYS 20 2.466 -11.586 5.510 141 1HE LYS 20 2HE LYS 20 3.961 -12.540 4.139 142 2HE LYS 20 1HE LYS 20 3.067 -11.727 2.855 143 1HZ LYS 20 1HZ LYS 20 5.675 -11.457 3.192 144 2HZ LYS 20 2HZ LYS 20 5.154 -10.175 4.174 145 3HZ LYS 20 3HZ LYS 20 4.706 -10.226 2.539 146 H LYS 21 H LYS 21 -1.134 -9.443 1.862 147 HA LYS 21 HA LYS 21 0.078 -11.079 -0.160 148 1HB LYS 21 2HB LYS 21 -2.864 -10.502 0.178 149 2HB LYS 21 1HB LYS 21 -2.128 -11.897 -0.601 150 1HG LYS 21 2HG LYS 21 -1.434 -12.805 1.457 151 2HG LYS 21 1HG LYS 21 -1.756 -11.298 2.319 152 1HD LYS 21 2HD LYS 21 -4.108 -11.567 2.067 153 2HD LYS 21 1HD LYS 21 -3.896 -12.910 0.941 154 1HE LYS 21 2HE LYS 21 -4.423 -13.998 2.913 155 2HE LYS 21 1HE LYS 21 -2.660 -14.041 2.923 156 1HZ LYS 21 1HZ LYS 21 -3.848 -11.712 4.179 157 2HZ LYS 21 2HZ LYS 21 -2.556 -12.687 4.691 158 3HZ LYS 21 3HZ LYS 21 -4.153 -13.187 4.964 159 H CYS 22 H CYS 22 -1.024 -7.912 0.011 160 HA CYS 22 HA CYS 22 -1.268 -7.668 -2.911 161 1HB CYS 22 2HB CYS 22 -2.864 -6.704 -0.807 162 2HB CYS 22 1HB CYS 22 -1.983 -5.308 -1.407 163 H GLY 23 H GLY 23 -0.562 -5.281 -0.423 164 1HA GLY 23 1HA GLY 23 1.229 -3.865 -0.133 165 2HA GLY 23 2HA GLY 23 2.178 -4.923 -1.173 166 H ASN 24 H ASN 24 -0.806 -3.908 -2.423 167 HA ASN 24 HA ASN 24 0.295 -2.620 -4.660 168 1HB ASN 24 2HB ASN 24 -1.923 -3.625 -4.726 169 2HB ASN 24 1HB ASN 24 -2.502 -2.488 -3.514 170 1HD2 ASN 24 1HD2 ASN 24 -3.200 -0.517 -4.139 171 2HD2 ASN 24 2HD2 ASN 24 -3.215 0.033 -5.778 172 H VAL 25 H VAL 25 0.789 -0.572 -5.096 173 HA VAL 25 HA VAL 25 0.840 1.299 -2.911 174 HB VAL 25 HB VAL 25 1.746 2.858 -4.794 175 1HG1 VAL 25 1HG1 VAL 25 3.011 0.613 -3.358 176 2HG1 VAL 25 2HG1 VAL 25 3.959 1.352 -4.648 177 3HG1 VAL 25 3HG1 VAL 25 3.371 2.340 -3.309 178 1HG2 VAL 25 1HG2 VAL 25 2.873 1.568 -6.603 179 2HG2 VAL 25 2HG2 VAL 25 1.965 0.145 -6.096 180 3HG2 VAL 25 3HG2 VAL 25 1.114 1.559 -6.716 181 H ASN 26 H ASN 26 -1.248 1.754 -2.440 182 HA ASN 26 HA ASN 26 -3.068 2.643 -4.482 183 1HB ASN 26 2HB ASN 26 -3.232 2.215 -1.525 184 2HB ASN 26 1HB ASN 26 -4.440 3.232 -2.306 185 1HD2 ASN 26 1HD2 ASN 26 -3.849 0.181 -1.314 186 2HD2 ASN 26 2HD2 ASN 26 -4.874 -0.694 -2.393 187 H PHE 27 H PHE 27 -2.963 4.523 -5.319 188 HA PHE 27 HA PHE 27 -1.401 6.543 -5.259 189 1HB PHE 27 2HB PHE 27 -3.398 6.538 -6.618 190 2HB PHE 27 1HB PHE 27 -4.395 6.881 -5.213 191 HD1 PHE 27 1HD PHE 27 -1.239 8.412 -6.519 192 HD2 PHE 27 2HD PHE 27 -5.307 8.964 -5.390 193 HE1 PHE 27 1HE PHE 27 -1.027 10.829 -6.933 194 HE2 PHE 27 2HE PHE 27 -5.099 11.377 -5.809 195 HZ PHE 27 HZ PHE 27 -2.958 12.310 -6.577 196 H ALA 28 H ALA 28 -4.264 7.303 -3.311 197 HA ALA 28 HA ALA 28 -2.963 7.904 -0.904 198 1HB ALA 28 1HB ALA 28 -3.057 10.120 -2.905 199 2HB ALA 28 2HB ALA 28 -3.335 10.499 -1.204 200 3HB ALA 28 3HB ALA 28 -1.825 9.738 -1.702 201 H ARG 29 H ARG 29 -5.339 9.629 -2.904 202 HA ARG 29 HA ARG 29 -7.306 9.563 -0.796 203 1HB ARG 29 2HB ARG 29 -8.728 10.755 -2.470 204 2HB ARG 29 1HB ARG 29 -7.185 11.545 -2.166 205 1HG ARG 29 2HG ARG 29 -6.530 11.320 -4.284 206 2HG ARG 29 1HG ARG 29 -7.092 9.650 -4.378 207 1HD ARG 29 2HD ARG 29 -8.823 10.318 -5.589 208 2HD ARG 29 1HD ARG 29 -9.383 11.292 -4.230 209 HE ARG 29 HE ARG 29 -7.565 12.918 -5.306 210 1HH1 ARG 29 2HH1 ARG 29 -10.103 11.028 -6.827 211 2HH1 ARG 29 1HH1 ARG 29 -10.354 12.168 -8.118 212 1HH2 ARG 29 2HH2 ARG 29 -7.860 14.397 -7.008 213 2HH2 ARG 29 1HH2 ARG 29 -9.079 14.101 -8.213 214 H ARG 30 H ARG 30 -6.562 7.004 -1.511 215 HA ARG 30 HA ARG 30 -8.869 5.986 -3.028 216 1HB ARG 30 2HB ARG 30 -6.081 4.949 -2.626 217 2HB ARG 30 1HB ARG 30 -7.382 3.823 -2.977 218 1HG ARG 30 2HG ARG 30 -7.122 6.179 -4.750 219 2HG ARG 30 1HG ARG 30 -5.887 4.926 -4.869 220 1HD ARG 30 2HD ARG 30 -8.080 3.387 -4.854 221 2HD ARG 30 1HD ARG 30 -8.754 4.844 -5.583 222 HE ARG 30 HE ARG 30 -6.796 3.044 -6.738 223 1HH1 ARG 30 2HH1 ARG 30 -8.382 6.150 -6.923 224 2HH1 ARG 30 1HH1 ARG 30 -7.988 6.402 -8.594 225 1HH2 ARG 30 2HH2 ARG 30 -6.277 3.348 -8.947 226 2HH2 ARG 30 1HH2 ARG 30 -6.801 4.806 -9.742 227 H THR 31 H THR 31 -10.441 5.617 -1.576 228 HA THR 31 HA THR 31 -9.898 4.741 1.096 229 HB THR 31 HB THR 31 -12.646 4.427 0.063 230 HG1 THR 31 1HG THR 31 -11.229 6.907 -0.053 231 1HG2 THR 31 1HG2 THR 31 -12.029 6.363 2.193 232 2HG2 THR 31 2HG2 THR 31 -11.522 4.706 2.522 233 3HG2 THR 31 3HG2 THR 31 -13.212 5.056 2.158 234 H SER 32 H SER 32 -10.129 3.170 -1.861 235 HA SER 32 HA SER 32 -10.152 0.600 -0.486 236 1HB SER 32 2HB SER 32 -11.690 0.928 -3.056 237 2HB SER 32 1HB SER 32 -11.780 -0.381 -1.877 238 HG SER 32 HG SER 32 -12.567 1.374 -0.406 239 H CYS 33 H CYS 33 -8.952 -0.975 -1.487 240 HA CYS 33 HA CYS 33 -6.653 -0.207 -2.829 241 1HB CYS 33 2HB CYS 33 -7.022 -2.280 -1.484 242 2HB CYS 33 1HB CYS 33 -7.916 -2.945 -2.840 243 H ASP 34 H ASP 34 -5.936 -0.328 -4.879 244 HA ASP 34 HA ASP 34 -7.920 -0.353 -7.013 245 1HB ASP 34 2HB ASP 34 -5.871 1.272 -6.704 246 2HB ASP 34 1HB ASP 34 -4.968 -0.030 -7.468 247 H ARG 35 H ARG 35 -5.796 -2.501 -5.497 248 HA ARG 35 HA ARG 35 -5.375 -4.130 -7.884 249 1HB ARG 35 2HB ARG 35 -3.648 -3.545 -5.959 250 2HB ARG 35 1HB ARG 35 -4.364 -4.973 -5.224 251 1HG ARG 35 2HG ARG 35 -3.700 -6.348 -7.025 252 2HG ARG 35 1HG ARG 35 -3.260 -4.955 -8.018 253 1HD ARG 35 2HD ARG 35 -1.180 -5.464 -7.283 254 2HD ARG 35 1HD ARG 35 -1.697 -4.495 -5.902 255 HE ARG 35 HE ARG 35 -2.410 -6.773 -4.954 256 1HH1 ARG 35 2HH1 ARG 35 0.428 -6.157 -6.914 257 2HH1 ARG 35 1HH1 ARG 35 1.262 -7.577 -6.367 258 1HH2 ARG 35 2HH2 ARG 35 -1.293 -8.650 -4.233 259 2HH2 ARG 35 1HH2 ARG 35 0.295 -8.988 -4.856 260 H CYS 36 H CYS 36 -6.867 -4.337 -4.670 261 HA CYS 36 HA CYS 36 -8.183 -6.801 -5.590 262 1HB CYS 36 2HB CYS 36 -7.857 -7.849 -3.485 263 2HB CYS 36 1HB CYS 36 -6.299 -7.199 -3.979 264 H GLY 37 H GLY 37 -8.462 -3.821 -3.827 265 1HA GLY 37 1HA GLY 37 -10.554 -2.680 -3.700 266 2HA GLY 37 2HA GLY 37 -11.370 -4.235 -3.739 267 H ARG 38 H ARG 38 -8.679 -4.205 -1.695 268 HA ARG 38 HA ARG 38 -10.121 -4.596 0.676 269 1HB ARG 38 2HB ARG 38 -7.512 -4.849 -0.052 270 2HB ARG 38 1HB ARG 38 -7.438 -3.420 0.971 271 1HG ARG 38 2HG ARG 38 -7.324 -4.795 2.702 272 2HG ARG 38 1HG ARG 38 -9.016 -5.194 2.398 273 1HD ARG 38 2HD ARG 38 -7.633 -7.203 2.550 274 2HD ARG 38 1HD ARG 38 -8.343 -7.025 0.947 275 HE ARG 38 HE ARG 38 -5.760 -5.848 1.029 276 1HH1 ARG 38 2HH1 ARG 38 -7.355 -8.983 0.920 277 2HH1 ARG 38 1HH1 ARG 38 -6.048 -9.741 0.056 278 1HH2 ARG 38 2HH2 ARG 38 -4.050 -6.865 -0.073 279 2HH2 ARG 38 1HH2 ARG 38 -4.179 -8.543 -0.501 280 H GLU 39 H GLU 39 -10.636 -3.260 2.374 281 HA GLU 39 HA GLU 39 -11.180 -0.543 1.727 282 1HB GLU 39 2HB GLU 39 -12.008 -0.413 4.074 283 2HB GLU 39 1HB GLU 39 -12.717 -1.722 3.138 284 1HG GLU 39 2HG GLU 39 -11.264 -3.325 4.223 285 2HG GLU 39 1HG GLU 39 -10.462 -2.027 5.107 286 H LYS 40 H LYS 40 -10.439 1.328 2.827 287 HA LYS 40 HA LYS 40 -7.646 1.378 3.391 288 1HB LYS 40 2HB LYS 40 -9.470 3.248 2.611 289 2HB LYS 40 1HB LYS 40 -9.281 3.654 4.314 290 1HG LYS 40 2HG LYS 40 -6.721 3.202 3.063 291 2HG LYS 40 1HG LYS 40 -7.649 4.434 2.206 292 1HD LYS 40 2HD LYS 40 -7.877 5.745 4.190 293 2HD LYS 40 1HD LYS 40 -7.220 4.447 5.189 294 1HE LYS 40 2HE LYS 40 -5.085 4.659 3.881 295 2HE LYS 40 1HE LYS 40 -5.768 6.103 3.136 296 1HZ LYS 40 1HZ LYS 40 -4.347 6.018 5.454 297 2HZ LYS 40 2HZ LYS 40 -5.947 6.149 5.999 298 3HZ LYS 40 3HZ LYS 40 -5.316 7.309 4.934 299 H THR 41 H THR 41 -7.991 -0.382 5.096 300 HA THR 41 HA THR 41 -8.730 0.725 7.691 301 HB THR 41 HB THR 41 -8.758 -1.927 6.546 302 HG1 THR 41 1HG THR 41 -10.593 -1.554 7.540 303 1HG2 THR 41 1HG2 THR 41 -7.522 -1.732 9.299 304 2HG2 THR 41 2HG2 THR 41 -6.685 -2.271 7.842 305 3HG2 THR 41 3HG2 THR 41 -8.031 -3.212 8.486 306 H THR 42 H THR 42 -7.281 1.369 9.130 307 HA THR 42 HA THR 42 -4.466 0.621 8.731 308 HB THR 42 HB THR 42 -4.985 3.157 10.145 309 HG1 THR 42 1HG THR 42 -6.015 2.649 7.634 310 1HG2 THR 42 1HG2 THR 42 -2.811 3.315 9.659 311 2HG2 THR 42 2HG2 THR 42 -3.243 3.474 7.957 312 3HG2 THR 42 3HG2 THR 42 -2.901 1.882 8.631 313 H GLY 43 H GLY 43 -3.600 -0.419 10.406 314 1HA GLY 43 1HA GLY 43 -3.425 -0.121 12.966 315 2HA GLY 43 2HA GLY 43 -5.147 -0.473 12.909 316 HA PRO 44 HA PRO 44 -2.925 -4.432 13.710 317 1HB PRO 44 2HB PRO 44 -5.500 -5.063 15.013 318 2HB PRO 44 1HB PRO 44 -3.856 -5.190 15.647 319 1HG PRO 44 2HG PRO 44 -5.530 -3.274 16.480 320 2HG PRO 44 1HG PRO 44 -3.792 -2.976 16.295 321 1HD PRO 44 2HD PRO 44 -6.052 -2.199 14.493 322 2HD PRO 44 1HD PRO 44 -4.605 -1.277 14.947 323 H ILE 45 H ILE 45 -2.905 -5.416 11.777 324 HA ILE 45 HA ILE 45 -5.416 -6.640 10.854 325 HB ILE 45 HB ILE 45 -4.614 -5.237 9.105 326 1HG1 ILE 45 2HG1 ILE 45 -3.391 -7.547 7.859 327 1HG2 ILE 45 1HG2 ILE 45 -1.909 -6.496 9.511 328 2HG2 ILE 45 2HG2 ILE 45 -2.323 -5.386 8.206 329 3HG2 ILE 45 3HG2 ILE 45 -2.371 -4.836 9.881 330 1HD1 ILE 45 1HD1 ILE 45 -4.619 -6.209 6.430 331 2HD1 ILE 45 2HD1 ILE 45 -5.684 -7.588 6.708 332 3HD1 ILE 45 3HD1 ILE 45 -5.968 -6.071 7.558 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -8.770 15.358 -15.873 2 2H GLY 1 2H GLY 1 -7.864 16.327 -16.928 3 3H GLY 1 3H GLY 1 -7.927 16.702 -15.279 4 1HA GLY 1 2HA GLY 1 -6.253 15.349 -14.796 5 2HA GLY 1 1HA GLY 1 -7.022 14.038 -15.680 6 H SER 2 H SER 2 -5.154 17.016 -16.157 7 HA SER 2 HA SER 2 -4.245 16.027 -18.752 8 1HB SER 2 2HB SER 2 -3.092 18.554 -18.026 9 2HB SER 2 1HB SER 2 -4.242 18.195 -19.316 10 HG SER 2 HG SER 2 -5.363 19.545 -18.059 11 H MET 3 H MET 3 -1.748 17.230 -18.886 12 HA MET 3 HA MET 3 -0.097 15.375 -17.546 13 1HB MET 3 2HB MET 3 0.455 16.555 -19.691 14 2HB MET 3 1HB MET 3 0.733 18.017 -18.755 15 1HG MET 3 2HG MET 3 2.364 16.428 -17.424 16 2HG MET 3 1HG MET 3 2.355 15.543 -18.950 17 1HE MET 3 1HE MET 3 3.373 18.203 -16.850 18 2HE MET 3 2HE MET 3 5.016 18.035 -17.466 19 3HE MET 3 3HE MET 3 4.096 19.501 -17.805 20 H SER 4 H SER 4 -0.065 15.368 -15.376 21 HA SER 4 HA SER 4 0.630 17.890 -14.015 22 1HB SER 4 2HB SER 4 -0.736 16.053 -12.252 23 2HB SER 4 1HB SER 4 -1.158 17.716 -12.663 24 HG SER 4 HG SER 4 -1.795 16.333 -14.771 25 H THR 5 H THR 5 2.140 15.519 -15.077 26 HA THR 5 HA THR 5 3.886 14.186 -14.532 27 HB THR 5 HB THR 5 4.150 15.563 -11.878 28 HG1 THR 5 1HG THR 5 5.128 17.324 -12.985 29 1HG2 THR 5 1HG2 THR 5 6.585 15.516 -12.649 30 2HG2 THR 5 2HG2 THR 5 6.039 14.454 -13.947 31 3HG2 THR 5 3HG2 THR 5 5.848 13.960 -12.266 32 H LYS 6 H LYS 6 1.433 13.115 -14.079 33 HA LYS 6 HA LYS 6 1.446 11.875 -11.438 34 1HB LYS 6 2HB LYS 6 -0.574 12.649 -13.240 35 2HB LYS 6 1HB LYS 6 -0.611 10.893 -13.202 36 1HG LYS 6 2HG LYS 6 -0.376 11.670 -10.535 37 2HG LYS 6 1HG LYS 6 -1.547 12.781 -11.251 38 1HD LYS 6 2HD LYS 6 -2.721 10.771 -12.203 39 2HD LYS 6 1HD LYS 6 -1.644 9.770 -11.227 40 1HE LYS 6 2HE LYS 6 -2.985 10.029 -9.480 41 2HE LYS 6 1HE LYS 6 -2.733 11.773 -9.544 42 1HZ LYS 6 1HZ LYS 6 -4.574 11.981 -11.062 43 2HZ LYS 6 2HZ LYS 6 -5.086 11.151 -9.673 44 3HZ LYS 6 3HZ LYS 6 -4.788 10.298 -11.110 45 H ASN 7 H ASN 7 3.611 11.162 -13.077 46 HA ASN 7 HA ASN 7 2.977 8.573 -14.236 47 1HB ASN 7 2HB ASN 7 4.555 9.954 -15.446 48 2HB ASN 7 1HB ASN 7 5.590 10.081 -14.031 49 1HD2 ASN 7 1HD2 ASN 7 3.954 7.165 -15.123 50 2HD2 ASN 7 2HD2 ASN 7 5.398 6.292 -15.524 51 H PHE 8 H PHE 8 2.478 7.192 -12.631 52 HA PHE 8 HA PHE 8 2.637 5.901 -10.765 53 1HB PHE 8 2HB PHE 8 4.612 5.245 -12.382 54 2HB PHE 8 1HB PHE 8 5.603 5.888 -11.084 55 HD1 PHE 8 1HD PHE 8 2.574 3.733 -11.307 56 HD2 PHE 8 2HD PHE 8 6.496 4.254 -9.746 57 HE1 PHE 8 1HE PHE 8 2.389 1.578 -10.138 58 HE2 PHE 8 2HE PHE 8 6.317 2.099 -8.570 59 HZ PHE 8 HZ PHE 8 4.263 0.760 -8.763 60 H ARG 9 H ARG 9 2.269 8.354 -9.940 61 HA ARG 9 HA ARG 9 4.428 9.334 -8.308 62 1HB ARG 9 2HB ARG 9 2.474 10.622 -9.593 63 2HB ARG 9 1HB ARG 9 1.672 10.426 -8.043 64 1HG ARG 9 2HG ARG 9 4.432 11.581 -8.208 65 2HG ARG 9 1HG ARG 9 3.002 12.579 -8.473 66 1HD ARG 9 2HD ARG 9 2.351 12.472 -6.298 67 2HD ARG 9 1HD ARG 9 2.991 10.848 -6.073 68 HE ARG 9 HE ARG 9 4.257 13.259 -5.357 69 1HH1 ARG 9 2HH1 ARG 9 5.052 10.216 -6.893 70 2HH1 ARG 9 1HH1 ARG 9 6.675 10.184 -6.297 71 1HH2 ARG 9 2HH2 ARG 9 6.402 13.204 -4.553 72 2HH2 ARG 9 1HH2 ARG 9 7.454 11.888 -4.990 73 H VAL 10 H VAL 10 4.772 7.727 -6.765 74 HA VAL 10 HA VAL 10 2.661 7.248 -4.816 75 HB VAL 10 HB VAL 10 5.520 6.420 -4.401 76 1HG1 VAL 10 1HG1 VAL 10 4.017 6.038 -2.569 77 2HG1 VAL 10 2HG1 VAL 10 2.849 5.253 -3.630 78 3HG1 VAL 10 3HG1 VAL 10 4.402 4.482 -3.308 79 1HG2 VAL 10 1HG2 VAL 10 5.501 5.306 -6.341 80 2HG2 VAL 10 2HG2 VAL 10 4.362 4.214 -5.552 81 3HG2 VAL 10 3HG2 VAL 10 3.766 5.534 -6.559 82 H SER 11 H SER 11 2.243 8.910 -3.541 83 HA SER 11 HA SER 11 4.243 10.935 -3.047 84 1HB SER 11 2HB SER 11 1.599 11.090 -1.720 85 2HB SER 11 1HB SER 11 2.488 12.323 -2.614 86 HG SER 11 HG SER 11 0.977 10.151 -3.674 87 H ASP 12 H ASP 12 3.472 11.898 -0.573 88 HA ASP 12 HA ASP 12 5.197 10.321 1.057 89 1HB ASP 12 2HB ASP 12 5.242 12.745 1.191 90 2HB ASP 12 1HB ASP 12 3.554 12.776 1.691 91 H GLY 13 H GLY 13 1.723 11.064 1.166 92 1HA GLY 13 1HA GLY 13 1.444 9.367 3.538 93 2HA GLY 13 2HA GLY 13 0.230 10.458 2.893 94 H ASP 14 H ASP 14 1.721 8.600 0.520 95 HA ASP 14 HA ASP 14 -0.705 7.178 -0.015 96 1HB ASP 14 2HB ASP 14 1.985 7.279 -1.354 97 2HB ASP 14 1HB ASP 14 0.771 6.105 -1.851 98 H TRP 15 H TRP 15 -0.596 4.754 -0.490 99 HA TRP 15 HA TRP 15 0.863 3.436 1.683 100 1HB TRP 15 2HB TRP 15 -1.261 2.238 2.298 101 2HB TRP 15 1HB TRP 15 -1.242 3.953 2.686 102 HD1 TRP 15 HD TRP 15 -2.283 5.329 0.145 103 HE1 TRP 15 1HE TRP 15 -4.636 4.887 -0.797 104 HE3 TRP 15 3HE TRP 15 -3.160 0.807 2.348 105 HZ2 TRP 15 2HZ TRP 15 -6.614 2.867 -0.594 106 HZ3 TRP 15 3HZ TRP 15 -5.309 -0.306 1.929 107 HH2 TRP 15 HH TRP 15 -6.995 0.695 0.485 108 H ILE 16 H ILE 16 -0.301 0.940 1.495 109 HA ILE 16 HA ILE 16 0.384 0.146 -1.249 110 HB ILE 16 HB ILE 16 1.155 -2.044 -0.091 111 1HG1 ILE 16 2HG1 ILE 16 2.205 -0.561 2.156 112 1HG2 ILE 16 1HG2 ILE 16 2.636 -0.601 -1.336 113 2HG2 ILE 16 2HG2 ILE 16 2.760 0.507 0.030 114 3HG2 ILE 16 3HG2 ILE 16 3.436 -1.119 0.148 115 1HD1 ILE 16 1HD1 ILE 16 1.608 -2.421 3.429 116 2HD1 ILE 16 2HD1 ILE 16 0.340 -2.899 2.299 117 3HD1 ILE 16 3HD1 ILE 16 2.037 -3.075 1.849 118 H CYS 17 H CYS 17 -1.108 -1.245 1.669 119 HA CYS 17 HA CYS 17 -3.637 -1.746 0.558 120 1HB CYS 17 2HB CYS 17 -2.302 -3.386 -0.799 121 2HB CYS 17 1HB CYS 17 -1.797 -4.162 0.688 122 HA PRO 18 HA PRO 18 -4.196 -2.551 4.943 123 1HB PRO 18 2HB PRO 18 -6.399 -4.380 4.250 124 2HB PRO 18 1HB PRO 18 -6.433 -2.903 5.217 125 1HG PRO 18 2HG PRO 18 -7.504 -2.997 2.765 126 2HG PRO 18 1HG PRO 18 -6.689 -1.541 3.370 127 1HD PRO 18 2HD PRO 18 -5.670 -3.636 1.488 128 2HD PRO 18 1HD PRO 18 -5.473 -1.875 1.422 129 H ASP 19 H ASP 19 -3.607 -4.957 2.593 130 HA ASP 19 HA ASP 19 -3.150 -7.023 4.633 131 1HB ASP 19 2HB ASP 19 -4.451 -7.351 2.346 132 2HB ASP 19 1HB ASP 19 -2.823 -7.579 1.715 133 H LYS 20 H LYS 20 -1.209 -8.550 3.597 134 HA LYS 20 HA LYS 20 1.079 -6.755 3.144 135 1HB LYS 20 2HB LYS 20 2.405 -7.805 4.758 136 2HB LYS 20 1HB LYS 20 0.840 -7.667 5.544 137 1HG LYS 20 2HG LYS 20 0.529 -9.893 5.618 138 2HG LYS 20 1HG LYS 20 1.315 -10.164 4.060 139 1HD LYS 20 2HD LYS 20 3.289 -10.603 5.024 140 2HD LYS 20 1HD LYS 20 3.162 -9.206 6.094 141 1HE LYS 20 2HE LYS 20 2.049 -11.973 6.509 142 2HE LYS 20 1HE LYS 20 3.243 -11.119 7.488 143 1HZ LYS 20 1HZ LYS 20 0.380 -10.368 7.201 144 2HZ LYS 20 2HZ LYS 20 1.524 -9.541 8.143 145 3HZ LYS 20 3HZ LYS 20 1.076 -11.128 8.548 146 H LYS 21 H LYS 21 -0.723 -9.365 2.095 147 HA LYS 21 HA LYS 21 1.503 -10.633 0.679 148 1HB LYS 21 2HB LYS 21 -1.416 -11.276 1.002 149 2HB LYS 21 1HB LYS 21 -0.453 -12.057 -0.242 150 1HG LYS 21 2HG LYS 21 0.309 -12.093 2.663 151 2HG LYS 21 1HG LYS 21 -0.726 -13.316 1.928 152 1HD LYS 21 2HD LYS 21 2.047 -12.631 0.963 153 2HD LYS 21 1HD LYS 21 1.679 -13.960 2.063 154 1HE LYS 21 2HE LYS 21 0.296 -15.012 0.385 155 2HE LYS 21 1HE LYS 21 0.518 -13.641 -0.701 156 1HZ LYS 21 1HZ LYS 21 1.986 -15.345 -1.391 157 2HZ LYS 21 2HZ LYS 21 2.570 -15.590 0.182 158 3HZ LYS 21 3HZ LYS 21 2.945 -14.161 -0.647 159 H CYS 22 H CYS 22 -0.182 -7.954 0.307 160 HA CYS 22 HA CYS 22 -0.569 -8.162 -2.592 161 1HB CYS 22 2HB CYS 22 -2.371 -7.337 -0.932 162 2HB CYS 22 1HB CYS 22 -1.420 -5.867 -0.846 163 H GLY 23 H GLY 23 0.130 -5.339 -0.594 164 1HA GLY 23 1HA GLY 23 1.825 -3.783 -0.708 165 2HA GLY 23 2HA GLY 23 2.789 -4.968 -1.587 166 H ASN 24 H ASN 24 -0.306 -3.402 -2.226 167 HA ASN 24 HA ASN 24 0.383 -2.954 -4.996 168 1HB ASN 24 2HB ASN 24 -1.875 -3.631 -4.470 169 2HB ASN 24 1HB ASN 24 -2.058 -2.326 -3.308 170 1HD2 ASN 24 1HD2 ASN 24 -3.068 -0.600 -3.956 171 2HD2 ASN 24 2HD2 ASN 24 -3.312 -0.114 -5.599 172 H VAL 25 H VAL 25 -0.290 -0.612 -5.836 173 HA VAL 25 HA VAL 25 0.886 1.374 -4.008 174 HB VAL 25 HB VAL 25 1.299 2.583 -6.357 175 1HG1 VAL 25 1HG1 VAL 25 3.613 1.710 -6.279 176 2HG1 VAL 25 2HG1 VAL 25 3.012 2.204 -4.696 177 3HG1 VAL 25 3HG1 VAL 25 3.086 0.491 -5.118 178 1HG2 VAL 25 1HG2 VAL 25 1.072 -0.324 -6.988 179 2HG2 VAL 25 2HG2 VAL 25 0.594 1.078 -7.946 180 3HG2 VAL 25 3HG2 VAL 25 2.297 0.637 -7.815 181 H ASN 26 H ASN 26 -1.043 2.067 -3.153 182 HA ASN 26 HA ASN 26 -3.005 3.171 -5.049 183 1HB ASN 26 2HB ASN 26 -4.171 3.255 -2.517 184 2HB ASN 26 1HB ASN 26 -4.532 2.102 -3.789 185 1HD2 ASN 26 1HD2 ASN 26 -4.822 0.248 -2.719 186 2HD2 ASN 26 2HD2 ASN 26 -3.675 -0.468 -1.642 187 H PHE 27 H PHE 27 -3.909 5.183 -4.633 188 HA PHE 27 HA PHE 27 -2.065 7.099 -3.573 189 1HB PHE 27 2HB PHE 27 -3.753 7.142 -5.670 190 2HB PHE 27 1HB PHE 27 -4.790 7.889 -4.460 191 HD1 PHE 27 1HD PHE 27 -4.801 10.151 -4.431 192 HD2 PHE 27 2HD PHE 27 -1.225 8.146 -5.570 193 HE1 PHE 27 1HE PHE 27 -3.709 12.326 -4.822 194 HE2 PHE 27 2HE PHE 27 -0.124 10.314 -5.962 195 HZ PHE 27 HZ PHE 27 -1.369 12.404 -5.588 196 H ALA 28 H ALA 28 -2.401 8.387 -1.855 197 HA ALA 28 HA ALA 28 -3.676 7.821 0.450 198 1HB ALA 28 1HB ALA 28 -2.192 9.831 -0.172 199 2HB ALA 28 2HB ALA 28 -3.714 10.639 -0.566 200 3HB ALA 28 3HB ALA 28 -3.418 10.058 1.076 201 H ARG 29 H ARG 29 -5.086 9.493 -2.298 202 HA ARG 29 HA ARG 29 -7.578 10.036 -1.010 203 1HB ARG 29 2HB ARG 29 -6.789 10.214 -3.912 204 2HB ARG 29 1HB ARG 29 -8.206 10.956 -3.176 205 1HG ARG 29 2HG ARG 29 -5.511 11.607 -2.099 206 2HG ARG 29 1HG ARG 29 -6.017 12.325 -3.630 207 1HD ARG 29 2HD ARG 29 -7.142 13.857 -2.490 208 2HD ARG 29 1HD ARG 29 -8.188 12.584 -1.869 209 HE ARG 29 HE ARG 29 -7.198 12.832 0.162 210 1HH1 ARG 29 2HH1 ARG 29 -5.003 14.141 -2.264 211 2HH1 ARG 29 1HH1 ARG 29 -3.847 14.690 -1.083 212 1HH2 ARG 29 2HH2 ARG 29 -5.685 13.572 1.684 213 2HH2 ARG 29 1HH2 ARG 29 -4.238 14.371 1.150 214 H ARG 30 H ARG 30 -6.358 7.213 -2.064 215 HA ARG 30 HA ARG 30 -8.878 6.167 -3.129 216 1HB ARG 30 2HB ARG 30 -6.079 5.067 -2.946 217 2HB ARG 30 1HB ARG 30 -7.448 4.033 -3.315 218 1HG ARG 30 2HG ARG 30 -6.672 6.464 -4.915 219 2HG ARG 30 1HG ARG 30 -6.205 4.807 -5.313 220 1HD ARG 30 2HD ARG 30 -9.056 5.061 -4.846 221 2HD ARG 30 1HD ARG 30 -8.499 6.121 -6.139 222 HE ARG 30 HE ARG 30 -7.367 3.624 -6.614 223 1HH1 ARG 30 2HH1 ARG 30 -10.585 5.005 -6.413 224 2HH1 ARG 30 1HH1 ARG 30 -11.263 3.894 -7.564 225 1HH2 ARG 30 2HH2 ARG 30 -8.272 2.160 -8.121 226 2HH2 ARG 30 1HH2 ARG 30 -9.963 2.289 -8.530 227 H THR 31 H THR 31 -10.298 5.343 -1.718 228 HA THR 31 HA THR 31 -9.505 4.903 1.021 229 HB THR 31 HB THR 31 -12.144 4.070 0.773 230 HG1 THR 31 1HG THR 31 -12.790 4.895 -1.063 231 1HG2 THR 31 1HG2 THR 31 -11.871 6.930 1.242 232 2HG2 THR 31 2HG2 THR 31 -10.690 5.981 2.144 233 3HG2 THR 31 3HG2 THR 31 -12.413 5.654 2.332 234 H SER 32 H SER 32 -9.444 3.013 -1.687 235 HA SER 32 HA SER 32 -9.499 0.560 -0.099 236 1HB SER 32 2HB SER 32 -10.679 0.254 -2.782 237 2HB SER 32 1HB SER 32 -11.199 -0.426 -1.239 238 HG SER 32 HG SER 32 -12.595 1.133 -1.049 239 H CYS 33 H CYS 33 -8.377 -1.228 -1.141 240 HA CYS 33 HA CYS 33 -6.000 -0.523 -2.444 241 1HB CYS 33 2HB CYS 33 -6.271 -2.631 -1.191 242 2HB CYS 33 1HB CYS 33 -7.412 -3.205 -2.399 243 H ASP 34 H ASP 34 -5.367 -0.633 -4.583 244 HA ASP 34 HA ASP 34 -7.505 -0.316 -6.516 245 1HB ASP 34 2HB ASP 34 -4.779 0.566 -6.283 246 2HB ASP 34 1HB ASP 34 -4.982 -0.280 -7.814 247 H ARG 35 H ARG 35 -5.725 -2.796 -5.216 248 HA ARG 35 HA ARG 35 -5.934 -4.469 -7.632 249 1HB ARG 35 2HB ARG 35 -4.127 -4.435 -5.279 250 2HB ARG 35 1HB ARG 35 -4.578 -6.020 -5.893 251 1HG ARG 35 2HG ARG 35 -3.906 -4.615 -8.165 252 2HG ARG 35 1HG ARG 35 -2.733 -4.066 -6.966 253 1HD ARG 35 2HD ARG 35 -3.336 -6.924 -7.705 254 2HD ARG 35 1HD ARG 35 -1.892 -6.012 -8.144 255 HE ARG 35 HE ARG 35 -2.475 -6.347 -5.297 256 1HH1 ARG 35 2HH1 ARG 35 -0.558 -7.214 -8.091 257 2HH1 ARG 35 1HH1 ARG 35 0.684 -7.995 -7.156 258 1HH2 ARG 35 2HH2 ARG 35 -0.865 -7.356 -4.068 259 2HH2 ARG 35 1HH2 ARG 35 0.503 -8.098 -4.860 260 H CYS 36 H CYS 36 -6.433 -4.581 -4.108 261 HA CYS 36 HA CYS 36 -8.081 -6.921 -4.288 262 1HB CYS 36 2HB CYS 36 -7.599 -5.047 -2.001 263 2HB CYS 36 1HB CYS 36 -8.399 -6.608 -1.881 264 H GLY 37 H GLY 37 -8.630 -3.481 -3.913 265 1HA GLY 37 1HA GLY 37 -10.578 -2.271 -4.251 266 2HA GLY 37 2HA GLY 37 -11.418 -3.775 -4.609 267 H ARG 38 H ARG 38 -9.671 -4.003 -1.771 268 HA ARG 38 HA ARG 38 -12.090 -3.841 -0.168 269 1HB ARG 38 2HB ARG 38 -9.531 -5.226 0.022 270 2HB ARG 38 1HB ARG 38 -9.974 -4.449 1.536 271 1HG ARG 38 2HG ARG 38 -11.938 -6.164 0.073 272 2HG ARG 38 1HG ARG 38 -10.708 -6.879 1.120 273 1HD ARG 38 2HD ARG 38 -11.511 -5.484 2.979 274 2HD ARG 38 1HD ARG 38 -12.756 -4.812 1.924 275 HE ARG 38 HE ARG 38 -12.721 -7.703 2.254 276 1HH1 ARG 38 2HH1 ARG 38 -14.158 -4.619 3.115 277 2HH1 ARG 38 1HH1 ARG 38 -15.597 -5.336 3.785 278 1HH2 ARG 38 2HH2 ARG 38 -14.620 -8.645 3.123 279 2HH2 ARG 38 1HH2 ARG 38 -15.855 -7.624 3.804 280 H GLU 39 H GLU 39 -12.360 -2.447 1.570 281 HA GLU 39 HA GLU 39 -11.208 0.124 1.176 282 1HB GLU 39 2HB GLU 39 -12.639 0.833 2.988 283 2HB GLU 39 1HB GLU 39 -13.535 -0.249 1.931 284 1HG GLU 39 2HG GLU 39 -12.176 -1.501 4.229 285 2HG GLU 39 1HG GLU 39 -13.530 -0.437 4.600 286 H LYS 40 H LYS 40 -10.019 1.371 2.681 287 HA LYS 40 HA LYS 40 -7.908 0.125 4.046 288 1HB LYS 40 2HB LYS 40 -8.417 2.658 3.292 289 2HB LYS 40 1HB LYS 40 -8.837 2.785 4.993 290 1HG LYS 40 2HG LYS 40 -6.691 2.571 5.680 291 2HG LYS 40 1HG LYS 40 -6.259 1.486 4.357 292 1HD LYS 40 2HD LYS 40 -5.530 3.168 3.080 293 2HD LYS 40 1HD LYS 40 -6.955 4.148 3.428 294 1HE LYS 40 2HE LYS 40 -5.725 4.386 5.778 295 2HE LYS 40 1HE LYS 40 -4.310 4.086 4.770 296 1HZ LYS 40 1HZ LYS 40 -5.319 5.925 3.294 297 2HZ LYS 40 2HZ LYS 40 -4.513 6.371 4.719 298 3HZ LYS 40 3HZ LYS 40 -6.207 6.338 4.677 299 H THR 41 H THR 41 -8.169 -1.206 5.719 300 HA THR 41 HA THR 41 -10.461 -1.213 7.371 301 HB THR 41 HB THR 41 -8.713 -2.686 8.810 302 HG1 THR 41 1HG THR 41 -7.542 -3.766 6.862 303 1HG2 THR 41 1HG2 THR 41 -9.741 -3.850 6.256 304 2HG2 THR 41 2HG2 THR 41 -10.881 -3.255 7.464 305 3HG2 THR 41 3HG2 THR 41 -9.744 -4.537 7.881 306 H THR 42 H THR 42 -7.352 0.324 7.607 307 HA THR 42 HA THR 42 -8.176 1.476 10.180 308 HB THR 42 HB THR 42 -5.317 1.398 9.236 309 HG1 THR 42 1HG THR 42 -5.682 -0.747 9.368 310 1HG2 THR 42 1HG2 THR 42 -5.057 2.601 11.100 311 2HG2 THR 42 2HG2 THR 42 -5.491 1.155 12.011 312 3HG2 THR 42 3HG2 THR 42 -6.733 2.332 11.581 313 H GLY 43 H GLY 43 -9.317 3.191 9.253 314 1HA GLY 43 1HA GLY 43 -7.701 5.087 7.671 315 2HA GLY 43 2HA GLY 43 -9.452 4.949 7.568 316 HA PRO 44 HA PRO 44 -8.163 7.728 11.269 317 1HB PRO 44 2HB PRO 44 -6.401 9.611 10.019 318 2HB PRO 44 1HB PRO 44 -6.027 8.472 11.313 319 1HG PRO 44 2HG PRO 44 -4.999 8.345 8.753 320 2HG PRO 44 1HG PRO 44 -5.078 6.984 9.883 321 1HD PRO 44 2HD PRO 44 -6.882 7.665 7.598 322 2HD PRO 44 1HD PRO 44 -6.317 6.075 8.159 323 H ILE 45 H ILE 45 -10.392 7.952 10.059 324 HA ILE 45 HA ILE 45 -10.590 10.672 8.942 325 HB ILE 45 HB ILE 45 -12.983 9.729 8.311 326 1HG1 ILE 45 2HG1 ILE 45 -12.039 7.228 7.497 327 1HG2 ILE 45 1HG2 ILE 45 -11.064 10.547 6.851 328 2HG2 ILE 45 2HG2 ILE 45 -10.645 8.845 6.654 329 3HG2 ILE 45 3HG2 ILE 45 -12.220 9.433 6.119 330 1HD1 ILE 45 1HD1 ILE 45 -14.294 8.158 8.685 331 2HD1 ILE 45 2HD1 ILE 45 -13.933 6.459 8.387 332 3HD1 ILE 45 3HD1 ILE 45 -13.595 7.169 9.965 Start of MODEL 14 1 1H GLY 1 1H GLY 1 11.853 -7.288 -12.348 2 2H GLY 1 2H GLY 1 10.876 -8.072 -11.204 3 3H GLY 1 3H GLY 1 12.439 -8.647 -11.522 4 1HA GLY 1 2HA GLY 1 13.379 -7.262 -10.090 5 2HA GLY 1 1HA GLY 1 12.490 -5.904 -10.766 6 H SER 2 H SER 2 11.284 -8.858 -9.233 7 HA SER 2 HA SER 2 9.780 -9.193 -7.577 8 1HB SER 2 2HB SER 2 10.816 -7.098 -5.806 9 2HB SER 2 1HB SER 2 10.749 -8.846 -5.577 10 HG SER 2 HG SER 2 12.548 -8.650 -7.350 11 H MET 3 H MET 3 9.886 -6.092 -6.129 12 HA MET 3 HA MET 3 7.303 -5.409 -7.367 13 1HB MET 3 2HB MET 3 7.640 -6.171 -4.745 14 2HB MET 3 1HB MET 3 7.710 -4.416 -4.638 15 1HG MET 3 2HG MET 3 5.548 -5.048 -6.331 16 2HG MET 3 1HG MET 3 5.435 -6.107 -4.925 17 1HE MET 3 1HE MET 3 3.012 -3.559 -5.309 18 2HE MET 3 2HE MET 3 3.937 -2.057 -5.355 19 3HE MET 3 3HE MET 3 4.299 -3.350 -6.498 20 H SER 4 H SER 4 6.892 -3.222 -7.721 21 HA SER 4 HA SER 4 9.266 -1.591 -7.997 22 1HB SER 4 2HB SER 4 6.996 -0.147 -8.822 23 2HB SER 4 1HB SER 4 8.137 -1.012 -9.851 24 HG SER 4 HG SER 4 5.583 -1.564 -9.449 25 H THR 5 H THR 5 8.874 -1.885 -5.345 26 HA THR 5 HA THR 5 7.090 -0.040 -4.153 27 HB THR 5 HB THR 5 9.382 -0.585 -2.486 28 HG1 THR 5 1HG THR 5 8.415 -3.046 -2.820 29 1HG2 THR 5 1HG2 THR 5 7.747 -1.488 -1.022 30 2HG2 THR 5 2HG2 THR 5 6.623 -1.789 -2.346 31 3HG2 THR 5 3HG2 THR 5 6.972 -0.134 -1.845 32 H LYS 6 H LYS 6 10.649 0.093 -4.504 33 HA LYS 6 HA LYS 6 10.577 2.930 -3.827 34 1HB LYS 6 2HB LYS 6 12.395 0.887 -3.289 35 2HB LYS 6 1HB LYS 6 13.199 1.868 -4.508 36 1HG LYS 6 2HG LYS 6 12.084 3.660 -2.649 37 2HG LYS 6 1HG LYS 6 12.857 2.376 -1.718 38 1HD LYS 6 2HD LYS 6 14.831 3.313 -2.113 39 2HD LYS 6 1HD LYS 6 14.605 3.024 -3.838 40 1HE LYS 6 2HE LYS 6 13.195 5.197 -3.767 41 2HE LYS 6 1HE LYS 6 14.020 5.489 -2.236 42 1HZ LYS 6 1HZ LYS 6 15.418 4.974 -4.808 43 2HZ LYS 6 2HZ LYS 6 16.122 5.442 -3.338 44 3HZ LYS 6 3HZ LYS 6 15.117 6.521 -4.180 45 H ASN 7 H ASN 7 9.558 1.829 -6.391 46 HA ASN 7 HA ASN 7 11.426 2.671 -8.411 47 1HB ASN 7 2HB ASN 7 9.141 1.077 -8.372 48 2HB ASN 7 1HB ASN 7 8.668 2.494 -9.305 49 1HD2 ASN 7 1HD2 ASN 7 8.659 1.741 -11.325 50 2HD2 ASN 7 2HD2 ASN 7 10.025 1.021 -12.119 51 H PHE 8 H PHE 8 8.958 4.060 -6.538 52 HA PHE 8 HA PHE 8 9.426 6.651 -7.794 53 1HB PHE 8 2HB PHE 8 6.829 6.916 -6.994 54 2HB PHE 8 1HB PHE 8 7.327 6.552 -8.641 55 HD1 PHE 8 1HD PHE 8 6.588 4.631 -9.689 56 HD2 PHE 8 2HD PHE 8 6.328 4.935 -5.453 57 HE1 PHE 8 1HE PHE 8 5.292 2.541 -9.623 58 HE2 PHE 8 2HE PHE 8 5.038 2.844 -5.376 59 HZ PHE 8 HZ PHE 8 4.517 1.644 -7.465 60 H ARG 9 H ARG 9 7.653 8.021 -6.062 61 HA ARG 9 HA ARG 9 9.159 7.757 -3.564 62 1HB ARG 9 2HB ARG 9 7.906 10.082 -3.195 63 2HB ARG 9 1HB ARG 9 9.421 9.961 -4.077 64 1HG ARG 9 2HG ARG 9 8.383 11.070 -5.693 65 2HG ARG 9 1HG ARG 9 7.551 9.553 -6.040 66 1HD ARG 9 2HD ARG 9 5.766 10.234 -4.453 67 2HD ARG 9 1HD ARG 9 6.575 11.789 -4.264 68 HE ARG 9 HE ARG 9 6.253 11.775 -6.875 69 1HH1 ARG 9 2HH1 ARG 9 4.000 10.797 -4.384 70 2HH1 ARG 9 1HH1 ARG 9 2.584 11.185 -5.314 71 1HH2 ARG 9 2HH2 ARG 9 4.408 12.322 -8.107 72 2HH2 ARG 9 1HH2 ARG 9 2.818 12.078 -7.440 73 H VAL 10 H VAL 10 8.203 6.791 -1.893 74 HA VAL 10 HA VAL 10 5.293 6.646 -1.744 75 HB VAL 10 HB VAL 10 7.227 5.709 0.377 76 1HG1 VAL 10 1HG1 VAL 10 4.462 4.779 -0.388 77 2HG1 VAL 10 2HG1 VAL 10 5.441 4.153 0.937 78 3HG1 VAL 10 3HG1 VAL 10 4.857 5.816 0.983 79 1HG2 VAL 10 1HG2 VAL 10 7.930 3.985 -0.846 80 2HG2 VAL 10 2HG2 VAL 10 6.288 3.601 -1.365 81 3HG2 VAL 10 3HG2 VAL 10 7.236 4.796 -2.251 82 H SER 11 H SER 11 4.861 8.873 -1.553 83 HA SER 11 HA SER 11 6.210 10.434 0.455 84 1HB SER 11 2HB SER 11 4.132 11.950 -0.656 85 2HB SER 11 1HB SER 11 5.836 11.976 -1.115 86 HG SER 11 HG SER 11 3.745 10.390 -2.218 87 H ASP 12 H ASP 12 3.450 11.954 0.469 88 HA ASP 12 HA ASP 12 2.997 11.288 3.212 89 1HB ASP 12 2HB ASP 12 2.728 13.556 1.743 90 2HB ASP 12 1HB ASP 12 1.049 13.040 1.858 91 H GLY 13 H GLY 13 0.689 11.520 0.511 92 1HA GLY 13 1HA GLY 13 -1.239 10.001 2.044 93 2HA GLY 13 2HA GLY 13 -1.509 10.750 0.480 94 H ASP 14 H ASP 14 1.175 9.253 -0.168 95 HA ASP 14 HA ASP 14 -0.078 7.089 -1.520 96 1HB ASP 14 2HB ASP 14 2.886 7.383 -1.010 97 2HB ASP 14 1HB ASP 14 2.102 6.491 -2.305 98 H TRP 15 H TRP 15 -0.996 5.575 -0.247 99 HA TRP 15 HA TRP 15 0.688 4.354 1.817 100 1HB TRP 15 2HB TRP 15 -1.428 3.397 2.732 101 2HB TRP 15 1HB TRP 15 -1.352 5.150 2.792 102 HD1 TRP 15 HD TRP 15 -2.956 6.492 1.039 103 HE1 TRP 15 1HE TRP 15 -5.243 5.827 0.069 104 HE3 TRP 15 3HE TRP 15 -2.774 1.443 1.852 105 HZ2 TRP 15 2HZ TRP 15 -6.770 3.473 -0.318 106 HZ3 TRP 15 3HZ TRP 15 -4.676 0.062 1.146 107 HH2 TRP 15 HH TRP 15 -6.630 1.056 0.072 108 H ILE 16 H ILE 16 0.372 2.005 2.115 109 HA ILE 16 HA ILE 16 0.121 0.683 -0.483 110 HB ILE 16 HB ILE 16 1.348 -1.199 0.580 111 1HG1 ILE 16 2HG1 ILE 16 2.586 0.219 2.723 112 1HG2 ILE 16 1HG2 ILE 16 2.454 1.488 0.106 113 2HG2 ILE 16 2HG2 ILE 16 3.517 0.341 0.921 114 3HG2 ILE 16 3HG2 ILE 16 2.842 -0.053 -0.659 115 1HD1 ILE 16 1HD1 ILE 16 1.912 -2.352 2.258 116 2HD1 ILE 16 2HD1 ILE 16 2.383 -1.712 3.833 117 3HD1 ILE 16 3HD1 ILE 16 0.677 -1.887 3.429 118 H CYS 17 H CYS 17 -1.032 -1.232 -0.634 119 HA CYS 17 HA CYS 17 -3.553 -1.323 0.243 120 1HB CYS 17 2HB CYS 17 -1.677 -3.530 -0.510 121 2HB CYS 17 1HB CYS 17 -3.366 -3.858 -0.148 122 HA PRO 18 HA PRO 18 -4.022 -2.197 4.452 123 1HB PRO 18 2HB PRO 18 -6.095 -4.196 3.788 124 2HB PRO 18 1HB PRO 18 -6.220 -2.712 4.734 125 1HG PRO 18 2HG PRO 18 -7.250 -2.906 2.274 126 2HG PRO 18 1HG PRO 18 -6.540 -1.396 2.875 127 1HD PRO 18 2HD PRO 18 -5.408 -3.396 0.972 128 2HD PRO 18 1HD PRO 18 -5.253 -1.627 0.984 129 H ASP 19 H ASP 19 -3.674 -5.011 2.358 130 HA ASP 19 HA ASP 19 -2.895 -6.596 4.717 131 1HB ASP 19 2HB ASP 19 -4.982 -7.212 3.185 132 2HB ASP 19 1HB ASP 19 -3.726 -7.971 2.209 133 H LYS 20 H LYS 20 -1.433 -8.450 4.155 134 HA LYS 20 HA LYS 20 0.908 -7.399 2.841 135 1HB LYS 20 2HB LYS 20 0.696 -10.244 3.748 136 2HB LYS 20 1HB LYS 20 2.072 -9.156 3.822 137 1HG LYS 20 2HG LYS 20 1.619 -8.810 5.954 138 2HG LYS 20 1HG LYS 20 0.121 -8.014 5.468 139 1HD LYS 20 2HD LYS 20 -0.725 -10.520 5.305 140 2HD LYS 20 1HD LYS 20 0.571 -10.775 6.474 141 1HE LYS 20 2HE LYS 20 -0.742 -10.008 8.091 142 2HE LYS 20 1HE LYS 20 -0.854 -8.457 7.262 143 1HZ LYS 20 1HZ LYS 20 -3.029 -9.015 7.285 144 2HZ LYS 20 2HZ LYS 20 -2.737 -10.686 7.306 145 3HZ LYS 20 3HZ LYS 20 -2.611 -9.820 5.853 146 H LYS 21 H LYS 21 -1.526 -9.874 2.275 147 HA LYS 21 HA LYS 21 -0.420 -10.988 -0.072 148 1HB LYS 21 2HB LYS 21 -2.697 -11.795 -0.547 149 2HB LYS 21 1HB LYS 21 -2.258 -12.073 1.131 150 1HG LYS 21 2HG LYS 21 -4.119 -11.050 1.762 151 2HG LYS 21 1HG LYS 21 -3.527 -9.557 1.030 152 1HD LYS 21 2HD LYS 21 -4.407 -10.851 -1.168 153 2HD LYS 21 1HD LYS 21 -5.512 -11.505 0.041 154 1HE LYS 21 2HE LYS 21 -6.730 -9.658 -0.208 155 2HE LYS 21 1HE LYS 21 -5.419 -8.776 0.574 156 1HZ LYS 21 1HZ LYS 21 -5.138 -7.665 -1.308 157 2HZ LYS 21 2HZ LYS 21 -6.315 -8.601 -2.092 158 3HZ LYS 21 3HZ LYS 21 -4.701 -9.110 -2.092 159 H CYS 22 H CYS 22 -2.200 -8.109 0.589 160 HA CYS 22 HA CYS 22 -2.798 -7.424 -2.128 161 1HB CYS 22 2HB CYS 22 -3.488 -6.572 0.505 162 2HB CYS 22 1HB CYS 22 -2.795 -5.190 -0.323 163 H GLY 23 H GLY 23 -1.153 -5.338 0.141 164 1HA GLY 23 1HA GLY 23 0.745 -4.067 0.025 165 2HA GLY 23 2HA GLY 23 1.483 -5.516 -0.626 166 H ASN 24 H ASN 24 -1.020 -3.521 -2.172 167 HA ASN 24 HA ASN 24 0.844 -3.001 -4.369 168 1HB ASN 24 2HB ASN 24 -1.165 -3.949 -5.157 169 2HB ASN 24 1HB ASN 24 -2.154 -2.988 -4.080 170 1HD2 ASN 24 1HD2 ASN 24 -2.944 -1.135 -4.733 171 2HD2 ASN 24 2HD2 ASN 24 -2.647 -0.404 -6.271 172 H VAL 25 H VAL 25 0.911 -0.816 -5.275 173 HA VAL 25 HA VAL 25 0.805 1.211 -3.204 174 HB VAL 25 HB VAL 25 1.703 2.661 -5.182 175 1HG1 VAL 25 1HG1 VAL 25 3.356 2.432 -3.685 176 2HG1 VAL 25 2HG1 VAL 25 2.978 0.732 -3.396 177 3HG1 VAL 25 3HG1 VAL 25 3.971 1.191 -4.780 178 1HG2 VAL 25 1HG2 VAL 25 2.175 1.676 -7.127 179 2HG2 VAL 25 2HG2 VAL 25 2.984 0.329 -6.325 180 3HG2 VAL 25 3HG2 VAL 25 1.237 0.292 -6.564 181 H ASN 26 H ASN 26 -0.871 2.498 -2.912 182 HA ASN 26 HA ASN 26 -2.900 2.646 -5.032 183 1HB ASN 26 2HB ASN 26 -3.397 3.546 -2.220 184 2HB ASN 26 1HB ASN 26 -4.527 2.869 -3.388 185 1HD2 ASN 26 1HD2 ASN 26 -4.736 0.658 -3.554 186 2HD2 ASN 26 2HD2 ASN 26 -3.973 -0.454 -2.464 187 H PHE 27 H PHE 27 -4.255 4.795 -4.704 188 HA PHE 27 HA PHE 27 -2.627 6.834 -5.746 189 1HB PHE 27 2HB PHE 27 -5.043 6.547 -6.236 190 2HB PHE 27 1HB PHE 27 -5.422 7.071 -4.609 191 HD1 PHE 27 1HD PHE 27 -3.035 8.411 -7.148 192 HD2 PHE 27 2HD PHE 27 -6.483 9.102 -4.749 193 HE1 PHE 27 1HE PHE 27 -3.107 10.742 -7.926 194 HE2 PHE 27 2HE PHE 27 -6.559 11.435 -5.526 195 HZ PHE 27 HZ PHE 27 -4.871 12.255 -7.114 196 H ALA 28 H ALA 28 -4.763 7.812 -3.167 197 HA ALA 28 HA ALA 28 -2.719 8.308 -1.238 198 1HB ALA 28 1HB ALA 28 -3.270 10.345 -3.220 199 2HB ALA 28 2HB ALA 28 -3.611 10.923 -1.589 200 3HB ALA 28 3HB ALA 28 -2.013 10.289 -1.985 201 H ARG 29 H ARG 29 -5.533 10.320 -1.980 202 HA ARG 29 HA ARG 29 -6.696 9.642 0.573 203 1HB ARG 29 2HB ARG 29 -7.182 11.666 -1.541 204 2HB ARG 29 1HB ARG 29 -8.552 11.223 -0.524 205 1HG ARG 29 2HG ARG 29 -7.772 12.760 0.896 206 2HG ARG 29 1HG ARG 29 -6.553 11.553 1.300 207 1HD ARG 29 2HD ARG 29 -5.588 12.788 -0.993 208 2HD ARG 29 1HD ARG 29 -6.242 14.102 -0.016 209 HE ARG 29 HE ARG 29 -4.819 12.839 1.822 210 1HH1 ARG 29 2HH1 ARG 29 -3.976 13.534 -1.506 211 2HH1 ARG 29 1HH1 ARG 29 -2.273 13.665 -1.182 212 1HH2 ARG 29 2HH2 ARG 29 -2.577 13.043 2.262 213 2HH2 ARG 29 1HH2 ARG 29 -1.481 13.400 0.954 214 H ARG 30 H ARG 30 -6.476 7.458 -1.048 215 HA ARG 30 HA ARG 30 -9.124 6.850 -2.104 216 1HB ARG 30 2HB ARG 30 -6.415 5.612 -2.240 217 2HB ARG 30 1HB ARG 30 -7.797 4.532 -2.339 218 1HG ARG 30 2HG ARG 30 -8.375 6.615 -4.089 219 2HG ARG 30 1HG ARG 30 -6.669 6.252 -4.341 220 1HD ARG 30 2HD ARG 30 -7.245 4.476 -5.535 221 2HD ARG 30 1HD ARG 30 -7.988 3.781 -4.096 222 HE ARG 30 HE ARG 30 -9.929 5.397 -5.003 223 1HH1 ARG 30 2HH1 ARG 30 -7.912 3.025 -6.617 224 2HH1 ARG 30 1HH1 ARG 30 -9.146 2.603 -7.777 225 1HH2 ARG 30 2HH2 ARG 30 -11.540 4.823 -6.484 226 2HH2 ARG 30 1HH2 ARG 30 -11.222 3.590 -7.673 227 H THR 31 H THR 31 -10.550 5.504 -1.092 228 HA THR 31 HA THR 31 -9.949 4.787 1.649 229 HB THR 31 HB THR 31 -12.514 3.824 0.725 230 HG1 THR 31 1HG THR 31 -13.383 5.880 0.143 231 1HG2 THR 31 1HG2 THR 31 -12.792 4.323 2.888 232 2HG2 THR 31 2HG2 THR 31 -12.896 6.016 2.402 233 3HG2 THR 31 3HG2 THR 31 -11.348 5.337 2.908 234 H SER 32 H SER 32 -10.324 3.260 -1.470 235 HA SER 32 HA SER 32 -10.091 0.641 -0.163 236 1HB SER 32 2HB SER 32 -11.052 0.705 -2.950 237 2HB SER 32 1HB SER 32 -11.624 -0.248 -1.582 238 HG SER 32 HG SER 32 -12.117 2.531 -1.931 239 H CYS 33 H CYS 33 -8.930 -1.015 -1.246 240 HA CYS 33 HA CYS 33 -6.412 -0.306 -2.195 241 1HB CYS 33 2HB CYS 33 -6.356 -2.445 -1.417 242 2HB CYS 33 1HB CYS 33 -8.006 -2.785 -1.925 243 H ASP 34 H ASP 34 -5.528 -0.910 -4.338 244 HA ASP 34 HA ASP 34 -7.249 0.415 -6.291 245 1HB ASP 34 2HB ASP 34 -4.536 0.722 -5.550 246 2HB ASP 34 1HB ASP 34 -4.545 0.110 -7.199 247 H ARG 35 H ARG 35 -5.888 -2.703 -5.651 248 HA ARG 35 HA ARG 35 -6.446 -3.495 -8.419 249 1HB ARG 35 2HB ARG 35 -3.777 -3.817 -7.061 250 2HB ARG 35 1HB ARG 35 -4.236 -4.699 -8.511 251 1HG ARG 35 2HG ARG 35 -4.752 -2.285 -9.406 252 2HG ARG 35 1HG ARG 35 -3.596 -1.823 -8.159 253 1HD ARG 35 2HD ARG 35 -2.046 -3.565 -9.139 254 2HD ARG 35 1HD ARG 35 -3.158 -3.659 -10.503 255 HE ARG 35 HE ARG 35 -2.220 -0.995 -9.848 256 1HH1 ARG 35 2HH1 ARG 35 -1.661 -3.900 -11.742 257 2HH1 ARG 35 1HH1 ARG 35 -0.749 -3.068 -12.967 258 1HH2 ARG 35 2HH2 ARG 35 -1.022 0.093 -11.478 259 2HH2 ARG 35 1HH2 ARG 35 -0.396 -0.811 -12.822 260 H CYS 36 H CYS 36 -6.170 -4.520 -5.052 261 HA CYS 36 HA CYS 36 -6.381 -7.304 -6.001 262 1HB CYS 36 2HB CYS 36 -4.667 -7.442 -3.824 263 2HB CYS 36 1HB CYS 36 -4.228 -7.594 -5.528 264 H GLY 37 H GLY 37 -7.421 -5.015 -3.644 265 1HA GLY 37 1HA GLY 37 -8.632 -7.233 -2.133 266 2HA GLY 37 2HA GLY 37 -7.674 -6.040 -1.278 267 H ARG 38 H ARG 38 -8.653 -4.273 -0.545 268 HA ARG 38 HA ARG 38 -11.279 -3.459 -1.372 269 1HB ARG 38 2HB ARG 38 -10.918 -5.416 0.821 270 2HB ARG 38 1HB ARG 38 -12.001 -4.073 1.163 271 1HG ARG 38 2HG ARG 38 -12.265 -5.807 -1.272 272 2HG ARG 38 1HG ARG 38 -13.086 -6.144 0.254 273 1HD ARG 38 2HD ARG 38 -14.693 -4.718 -0.293 274 2HD ARG 38 1HD ARG 38 -13.514 -3.416 -0.398 275 HE ARG 38 HE ARG 38 -13.662 -5.120 -2.732 276 1HH1 ARG 38 2HH1 ARG 38 -14.836 -2.219 -1.160 277 2HH1 ARG 38 1HH1 ARG 38 -15.391 -1.488 -2.641 278 1HH2 ARG 38 2HH2 ARG 38 -14.382 -4.168 -4.677 279 2HH2 ARG 38 1HH2 ARG 38 -15.121 -2.599 -4.643 280 H GLU 39 H GLU 39 -12.086 -2.435 1.191 281 HA GLU 39 HA GLU 39 -10.681 0.007 1.148 282 1HB GLU 39 2HB GLU 39 -12.941 -1.119 2.592 283 2HB GLU 39 1HB GLU 39 -11.993 -0.002 3.562 284 1HG GLU 39 2HG GLU 39 -12.472 1.795 2.220 285 2HG GLU 39 1HG GLU 39 -12.778 0.793 0.803 286 H LYS 40 H LYS 40 -9.381 0.994 2.718 287 HA LYS 40 HA LYS 40 -7.353 -0.695 3.729 288 1HB LYS 40 2HB LYS 40 -7.503 1.985 3.181 289 2HB LYS 40 1HB LYS 40 -7.462 1.971 4.941 290 1HG LYS 40 2HG LYS 40 -5.524 0.129 4.092 291 2HG LYS 40 1HG LYS 40 -5.338 1.556 3.073 292 1HD LYS 40 2HD LYS 40 -5.363 2.916 5.217 293 2HD LYS 40 1HD LYS 40 -5.198 1.383 6.077 294 1HE LYS 40 2HE LYS 40 -3.290 2.560 4.061 295 2HE LYS 40 1HE LYS 40 -3.016 2.366 5.790 296 1HZ LYS 40 1HZ LYS 40 -3.607 -0.152 4.944 297 2HZ LYS 40 2HZ LYS 40 -2.052 0.454 5.239 298 3HZ LYS 40 3HZ LYS 40 -2.678 0.468 3.665 299 H THR 41 H THR 41 -7.679 -2.033 5.316 300 HA THR 41 HA THR 41 -9.578 -1.544 7.412 301 HB THR 41 HB THR 41 -8.536 -3.790 8.231 302 HG1 THR 41 1HG THR 41 -7.320 -4.860 6.696 303 1HG2 THR 41 1HG2 THR 41 -9.786 -3.954 5.513 304 2HG2 THR 41 2HG2 THR 41 -10.703 -3.310 6.877 305 3HG2 THR 41 3HG2 THR 41 -10.075 -4.957 6.940 306 H THR 42 H THR 42 -9.016 -1.725 9.690 307 HA THR 42 HA THR 42 -6.458 -0.475 10.331 308 HB THR 42 HB THR 42 -8.287 -1.108 12.545 309 HG1 THR 42 1HG THR 42 -9.143 0.985 10.853 310 1HG2 THR 42 1HG2 THR 42 -7.780 1.676 12.162 311 2HG2 THR 42 2HG2 THR 42 -6.286 0.781 11.888 312 3HG2 THR 42 3HG2 THR 42 -7.154 0.601 13.411 313 H GLY 43 H GLY 43 -4.834 -1.886 10.537 314 1HA GLY 43 1HA GLY 43 -5.375 -4.615 11.391 315 2HA GLY 43 2HA GLY 43 -3.851 -3.995 10.773 316 HA PRO 44 HA PRO 44 -3.077 -4.445 15.237 317 1HB PRO 44 2HB PRO 44 -0.333 -4.983 14.509 318 2HB PRO 44 1HB PRO 44 -1.517 -6.085 15.212 319 1HG PRO 44 2HG PRO 44 -0.535 -6.329 12.672 320 2HG PRO 44 1HG PRO 44 -2.127 -6.925 13.176 321 1HD PRO 44 2HD PRO 44 -1.420 -4.408 11.713 322 2HD PRO 44 1HD PRO 44 -2.777 -5.522 11.441 323 H ILE 45 H ILE 45 -2.033 -2.306 12.881 324 HA ILE 45 HA ILE 45 -0.830 -0.558 14.897 325 HB ILE 45 HB ILE 45 0.613 0.256 12.811 326 1HG1 ILE 45 2HG1 ILE 45 1.360 -2.321 12.047 327 1HG2 ILE 45 1HG2 ILE 45 1.301 -2.053 14.620 328 2HG2 ILE 45 2HG2 ILE 45 2.471 -1.152 13.655 329 3HG2 ILE 45 3HG2 ILE 45 1.569 -0.337 14.932 330 1HD1 ILE 45 1HD1 ILE 45 0.115 -0.014 10.738 331 2HD1 ILE 45 2HD1 ILE 45 1.498 -0.994 10.252 332 3HD1 ILE 45 3HD1 ILE 45 -0.141 -1.566 9.942 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -10.741 13.761 -10.615 2 2H GLY 1 2H GLY 1 -9.928 15.210 -10.279 3 3H GLY 1 3H GLY 1 -10.012 13.989 -9.104 4 1HA GLY 1 2HA GLY 1 -7.932 14.373 -10.773 5 2HA GLY 1 1HA GLY 1 -8.290 12.875 -9.928 6 H SER 2 H SER 2 -9.775 14.510 -12.720 7 HA SER 2 HA SER 2 -10.082 11.946 -14.029 8 1HB SER 2 2HB SER 2 -10.875 14.178 -15.659 9 2HB SER 2 1HB SER 2 -11.885 12.940 -14.911 10 HG SER 2 HG SER 2 -12.455 14.993 -14.141 11 H MET 3 H MET 3 -7.956 11.388 -14.532 12 HA MET 3 HA MET 3 -6.237 11.076 -15.980 13 1HB MET 3 2HB MET 3 -8.320 11.794 -17.574 14 2HB MET 3 1HB MET 3 -7.139 13.027 -17.994 15 1HG MET 3 2HG MET 3 -5.898 11.595 -19.157 16 2HG MET 3 1HG MET 3 -6.003 10.354 -17.910 17 1HE MET 3 1HE MET 3 -8.085 11.836 -21.143 18 2HE MET 3 2HE MET 3 -9.599 11.082 -20.646 19 3HE MET 3 3HE MET 3 -8.803 12.243 -19.582 20 H SER 4 H SER 4 -6.370 13.464 -14.099 21 HA SER 4 HA SER 4 -4.544 15.320 -15.388 22 1HB SER 4 2HB SER 4 -4.993 15.683 -12.519 23 2HB SER 4 1HB SER 4 -5.271 16.806 -13.851 24 HG SER 4 HG SER 4 -7.282 16.041 -14.115 25 H THR 5 H THR 5 -4.554 13.255 -12.492 26 HA THR 5 HA THR 5 -1.625 13.302 -12.500 27 HB THR 5 HB THR 5 -2.835 11.903 -10.259 28 HG1 THR 5 1HG THR 5 -3.674 13.958 -9.348 29 1HG2 THR 5 1HG2 THR 5 -0.551 13.353 -10.785 30 2HG2 THR 5 2HG2 THR 5 -1.076 12.802 -9.194 31 3HG2 THR 5 3HG2 THR 5 -1.471 14.434 -9.737 32 H LYS 6 H LYS 6 -0.431 11.430 -12.660 33 HA LYS 6 HA LYS 6 -1.922 9.065 -13.544 34 1HB LYS 6 2HB LYS 6 0.578 10.314 -14.329 35 2HB LYS 6 1HB LYS 6 0.797 8.605 -13.968 36 1HG LYS 6 2HG LYS 6 -0.992 9.862 -16.022 37 2HG LYS 6 1HG LYS 6 0.329 8.718 -16.264 38 1HD LYS 6 2HD LYS 6 -1.008 7.038 -14.973 39 2HD LYS 6 1HD LYS 6 -2.356 8.175 -15.003 40 1HE LYS 6 2HE LYS 6 -2.454 8.087 -17.394 41 2HE LYS 6 1HE LYS 6 -0.963 7.147 -17.466 42 1HZ LYS 6 1HZ LYS 6 -2.205 5.419 -16.134 43 2HZ LYS 6 2HZ LYS 6 -2.696 5.617 -17.748 44 3HZ LYS 6 3HZ LYS 6 -3.622 6.282 -16.494 45 H ASN 7 H ASN 7 -1.269 6.971 -12.805 46 HA ASN 7 HA ASN 7 -0.320 7.044 -10.036 47 1HB ASN 7 2HB ASN 7 -1.819 5.433 -9.544 48 2HB ASN 7 1HB ASN 7 -2.562 5.858 -11.080 49 1HD2 ASN 7 1HD2 ASN 7 -0.699 3.523 -9.340 50 2HD2 ASN 7 2HD2 ASN 7 -0.744 2.281 -10.553 51 H PHE 8 H PHE 8 1.555 6.159 -9.467 52 HA PHE 8 HA PHE 8 2.725 4.035 -11.032 53 1HB PHE 8 2HB PHE 8 4.975 5.419 -10.693 54 2HB PHE 8 1HB PHE 8 3.981 5.605 -12.129 55 HD1 PHE 8 1HD PHE 8 4.735 7.091 -8.823 56 HD2 PHE 8 2HD PHE 8 3.067 7.685 -12.692 57 HE1 PHE 8 1HE PHE 8 4.571 9.504 -8.378 58 HE2 PHE 8 2HE PHE 8 2.900 10.099 -12.255 59 HZ PHE 8 HZ PHE 8 3.654 11.011 -10.095 60 H ARG 9 H ARG 9 5.254 4.216 -9.670 61 HA ARG 9 HA ARG 9 4.369 3.286 -7.030 62 1HB ARG 9 2HB ARG 9 5.859 1.940 -8.767 63 2HB ARG 9 1HB ARG 9 7.152 2.866 -8.018 64 1HG ARG 9 2HG ARG 9 7.221 1.115 -6.620 65 2HG ARG 9 1HG ARG 9 5.904 1.972 -5.816 66 1HD ARG 9 2HD ARG 9 4.525 0.278 -6.212 67 2HD ARG 9 1HD ARG 9 4.826 0.410 -7.944 68 HE ARG 9 HE ARG 9 6.131 -1.411 -6.065 69 1HH1 ARG 9 2HH1 ARG 9 5.870 -0.163 -9.325 70 2HH1 ARG 9 1HH1 ARG 9 6.757 -1.470 -10.044 71 1HH2 ARG 9 2HH2 ARG 9 7.322 -3.130 -6.995 72 2HH2 ARG 9 1HH2 ARG 9 7.591 -3.158 -8.714 73 H VAL 10 H VAL 10 4.178 5.345 -6.092 74 HA VAL 10 HA VAL 10 6.744 6.719 -5.621 75 HB VAL 10 HB VAL 10 5.335 8.156 -6.946 76 1HG1 VAL 10 1HG1 VAL 10 3.107 8.715 -6.494 77 2HG1 VAL 10 2HG1 VAL 10 3.192 6.973 -6.236 78 3HG1 VAL 10 3HG1 VAL 10 3.183 8.070 -4.855 79 1HG2 VAL 10 1HG2 VAL 10 6.326 8.851 -4.427 80 2HG2 VAL 10 2HG2 VAL 10 5.959 9.933 -5.770 81 3HG2 VAL 10 3HG2 VAL 10 4.739 9.612 -4.538 82 H SER 11 H SER 11 7.334 7.029 -3.539 83 HA SER 11 HA SER 11 5.448 6.180 -1.468 84 1HB SER 11 2HB SER 11 8.439 6.520 -1.507 85 2HB SER 11 1HB SER 11 7.535 6.390 0.002 86 HG SER 11 HG SER 11 6.584 4.433 -1.259 87 H ASP 12 H ASP 12 4.215 8.062 -1.761 88 HA ASP 12 HA ASP 12 5.420 10.583 -0.845 89 1HB ASP 12 2HB ASP 12 4.255 10.458 -3.088 90 2HB ASP 12 1HB ASP 12 2.753 10.191 -2.214 91 H GLY 13 H GLY 13 2.180 10.960 -0.605 92 1HA GLY 13 1HA GLY 13 2.123 10.220 2.238 93 2HA GLY 13 2HA GLY 13 1.018 11.326 1.435 94 H ASP 14 H ASP 14 1.974 8.293 0.145 95 HA ASP 14 HA ASP 14 -0.765 7.480 -0.210 96 1HB ASP 14 2HB ASP 14 0.196 5.619 -1.479 97 2HB ASP 14 1HB ASP 14 0.914 7.147 -1.984 98 H TRP 15 H TRP 15 -0.720 4.813 -0.068 99 HA TRP 15 HA TRP 15 0.314 3.904 2.469 100 1HB TRP 15 2HB TRP 15 -1.843 3.186 3.352 101 2HB TRP 15 1HB TRP 15 -1.871 4.924 3.082 102 HD1 TRP 15 HD TRP 15 -3.249 5.739 0.801 103 HE1 TRP 15 1HE TRP 15 -5.364 4.718 -0.256 104 HE3 TRP 15 3HE TRP 15 -3.103 1.102 2.966 105 HZ2 TRP 15 2HZ TRP 15 -6.779 2.275 -0.187 106 HZ3 TRP 15 3HZ TRP 15 -4.860 -0.514 2.433 107 HH2 TRP 15 HH TRP 15 -6.668 0.057 0.870 108 H ILE 16 H ILE 16 -0.148 1.491 2.678 109 HA ILE 16 HA ILE 16 -0.565 0.290 0.042 110 HB ILE 16 HB ILE 16 0.918 -1.533 0.695 111 1HG1 ILE 16 2HG1 ILE 16 2.375 -0.334 2.829 112 1HG2 ILE 16 1HG2 ILE 16 1.680 0.651 -0.441 113 2HG2 ILE 16 2HG2 ILE 16 2.512 0.959 1.085 114 3HG2 ILE 16 3HG2 ILE 16 2.899 -0.482 0.142 115 1HD1 ILE 16 1HD1 ILE 16 1.203 -2.460 3.983 116 2HD1 ILE 16 2HD1 ILE 16 1.017 -2.881 2.279 117 3HD1 ILE 16 3HD1 ILE 16 2.622 -2.563 2.939 118 H CYS 17 H CYS 17 -1.693 -1.621 -0.036 119 HA CYS 17 HA CYS 17 -3.970 -1.956 1.300 120 1HB CYS 17 2HB CYS 17 -2.323 -4.328 0.472 121 2HB CYS 17 1HB CYS 17 -4.056 -4.101 0.323 122 HA PRO 18 HA PRO 18 -3.279 -2.998 5.455 123 1HB PRO 18 2HB PRO 18 -5.713 -4.686 5.266 124 2HB PRO 18 1HB PRO 18 -5.371 -3.324 6.339 125 1HG PRO 18 2HG PRO 18 -7.054 -3.037 4.313 126 2HG PRO 18 1HG PRO 18 -5.902 -1.749 4.717 127 1HD PRO 18 2HD PRO 18 -5.735 -3.802 2.535 128 2HD PRO 18 1HD PRO 18 -5.381 -2.066 2.471 129 H ASP 19 H ASP 19 -3.856 -5.477 3.093 130 HA ASP 19 HA ASP 19 -2.461 -7.454 4.766 131 1HB ASP 19 2HB ASP 19 -4.650 -8.253 4.216 132 2HB ASP 19 1HB ASP 19 -4.467 -7.782 2.533 133 H LYS 20 H LYS 20 -0.492 -8.070 4.124 134 HA LYS 20 HA LYS 20 0.660 -6.599 1.939 135 1HB LYS 20 2HB LYS 20 1.584 -7.565 4.368 136 2HB LYS 20 1HB LYS 20 2.429 -8.544 3.177 137 1HG LYS 20 2HG LYS 20 3.576 -6.760 2.309 138 2HG LYS 20 1HG LYS 20 2.338 -5.597 2.785 139 1HD LYS 20 2HD LYS 20 3.039 -6.207 5.205 140 2HD LYS 20 1HD LYS 20 4.500 -6.838 4.442 141 1HE LYS 20 2HE LYS 20 5.316 -4.790 4.068 142 2HE LYS 20 1HE LYS 20 3.765 -4.192 3.476 143 1HZ LYS 20 1HZ LYS 20 3.089 -4.138 5.904 144 2HZ LYS 20 2HZ LYS 20 4.209 -2.965 5.403 145 3HZ LYS 20 3HZ LYS 20 4.732 -4.327 6.269 146 H LYS 21 H LYS 21 -1.091 -9.272 1.611 147 HA LYS 21 HA LYS 21 0.709 -10.816 -0.027 148 1HB LYS 21 2HB LYS 21 -0.890 -12.366 0.199 149 2HB LYS 21 1HB LYS 21 -1.880 -11.204 1.066 150 1HG LYS 21 2HG LYS 21 -2.563 -10.421 -1.318 151 2HG LYS 21 1HG LYS 21 -1.990 -12.019 -1.800 152 1HD LYS 21 2HD LYS 21 -4.068 -11.473 0.320 153 2HD LYS 21 1HD LYS 21 -4.412 -11.978 -1.334 154 1HE LYS 21 2HE LYS 21 -4.019 -14.119 -0.849 155 2HE LYS 21 1HE LYS 21 -2.488 -13.725 -0.068 156 1HZ LYS 21 1HZ LYS 21 -3.471 -13.546 1.978 157 2HZ LYS 21 2HZ LYS 21 -4.414 -14.774 1.291 158 3HZ LYS 21 3HZ LYS 21 -5.004 -13.183 1.349 159 H CYS 22 H CYS 22 -1.564 -8.223 -0.409 160 HA CYS 22 HA CYS 22 -1.022 -8.034 -3.274 161 1HB CYS 22 2HB CYS 22 -3.349 -7.726 -2.488 162 2HB CYS 22 1HB CYS 22 -2.826 -6.405 -1.467 163 H GLY 23 H GLY 23 -1.237 -5.679 -0.616 164 1HA GLY 23 1HA GLY 23 0.092 -3.911 -0.028 165 2HA GLY 23 2HA GLY 23 1.450 -4.903 -0.552 166 H ASN 24 H ASN 24 -1.283 -3.350 -2.180 167 HA ASN 24 HA ASN 24 0.475 -2.567 -4.370 168 1HB ASN 24 2HB ASN 24 -1.540 -3.412 -5.169 169 2HB ASN 24 1HB ASN 24 -2.484 -2.677 -3.894 170 1HD2 ASN 24 1HD2 ASN 24 -3.245 -0.637 -4.119 171 2HD2 ASN 24 2HD2 ASN 24 -3.133 0.263 -5.588 172 H VAL 25 H VAL 25 0.732 -0.417 -5.059 173 HA VAL 25 HA VAL 25 0.704 1.532 -2.940 174 HB VAL 25 HB VAL 25 1.457 3.048 -4.955 175 1HG1 VAL 25 1HG1 VAL 25 3.790 2.209 -4.638 176 2HG1 VAL 25 2HG1 VAL 25 2.911 2.507 -3.136 177 3HG1 VAL 25 3HG1 VAL 25 3.115 0.857 -3.725 178 1HG2 VAL 25 1HG2 VAL 25 2.476 0.496 -6.091 179 2HG2 VAL 25 2HG2 VAL 25 0.830 0.982 -6.493 180 3HG2 VAL 25 3HG2 VAL 25 2.185 2.045 -6.879 181 H ASN 26 H ASN 26 -1.469 1.833 -2.485 182 HA ASN 26 HA ASN 26 -3.322 2.539 -4.581 183 1HB ASN 26 2HB ASN 26 -4.173 3.092 -1.823 184 2HB ASN 26 1HB ASN 26 -4.952 2.119 -3.065 185 1HD2 ASN 26 1HD2 ASN 26 -4.887 -0.022 -2.858 186 2HD2 ASN 26 2HD2 ASN 26 -3.894 -0.895 -1.745 187 H PHE 27 H PHE 27 -3.602 4.439 -5.372 188 HA PHE 27 HA PHE 27 -2.056 6.465 -5.567 189 1HB PHE 27 2HB PHE 27 -4.364 6.307 -6.527 190 2HB PHE 27 1HB PHE 27 -4.970 7.037 -5.047 191 HD1 PHE 27 1HD PHE 27 -2.163 7.752 -7.408 192 HD2 PHE 27 2HD PHE 27 -5.564 9.219 -5.309 193 HE1 PHE 27 1HE PHE 27 -1.790 9.983 -8.374 194 HE2 PHE 27 2HE PHE 27 -5.196 11.453 -6.272 195 HZ PHE 27 HZ PHE 27 -3.305 11.839 -7.806 196 H ALA 28 H ALA 28 -4.633 7.378 -3.335 197 HA ALA 28 HA ALA 28 -3.129 7.879 -1.047 198 1HB ALA 28 1HB ALA 28 -2.167 9.598 -2.818 199 2HB ALA 28 2HB ALA 28 -3.603 10.514 -2.362 200 3HB ALA 28 3HB ALA 28 -2.417 10.063 -1.135 201 H ARG 29 H ARG 29 -5.531 9.408 -3.116 202 HA ARG 29 HA ARG 29 -7.365 9.773 -0.896 203 1HB ARG 29 2HB ARG 29 -7.522 10.482 -3.832 204 2HB ARG 29 1HB ARG 29 -8.816 10.799 -2.682 205 1HG ARG 29 2HG ARG 29 -7.748 12.552 -1.761 206 2HG ARG 29 1HG ARG 29 -6.160 11.795 -1.906 207 1HD ARG 29 2HD ARG 29 -5.731 12.860 -3.818 208 2HD ARG 29 1HD ARG 29 -7.302 12.427 -4.493 209 HE ARG 29 HE ARG 29 -8.191 14.355 -3.185 210 1HH1 ARG 29 2HH1 ARG 29 -4.814 14.287 -4.166 211 2HH1 ARG 29 1HH1 ARG 29 -4.649 16.021 -4.111 212 1HH2 ARG 29 2HH2 ARG 29 -7.957 16.598 -3.101 213 2HH2 ARG 29 1HH2 ARG 29 -6.432 17.327 -3.516 214 H ARG 30 H ARG 30 -6.497 7.146 -1.949 215 HA ARG 30 HA ARG 30 -8.992 6.008 -2.945 216 1HB ARG 30 2HB ARG 30 -6.149 5.060 -2.797 217 2HB ARG 30 1HB ARG 30 -7.445 3.880 -2.908 218 1HG ARG 30 2HG ARG 30 -7.864 5.886 -4.885 219 2HG ARG 30 1HG ARG 30 -6.202 5.311 -4.994 220 1HD ARG 30 2HD ARG 30 -7.270 3.790 -6.344 221 2HD ARG 30 1HD ARG 30 -7.326 2.953 -4.792 222 HE ARG 30 HE ARG 30 -9.649 3.977 -4.613 223 1HH1 ARG 30 2HH1 ARG 30 -8.151 3.070 -7.666 224 2HH1 ARG 30 1HH1 ARG 30 -9.682 2.854 -8.477 225 1HH2 ARG 30 2HH2 ARG 30 -11.634 3.654 -5.679 226 2HH2 ARG 30 1HH2 ARG 30 -11.647 3.159 -7.346 227 H THR 31 H THR 31 -10.406 5.414 -1.416 228 HA THR 31 HA THR 31 -9.526 4.670 1.235 229 HB THR 31 HB THR 31 -12.321 4.096 0.491 230 HG1 THR 31 1HG THR 31 -12.881 6.093 -0.079 231 1HG2 THR 31 1HG2 THR 31 -12.509 4.349 2.698 232 2HG2 THR 31 2HG2 THR 31 -12.028 6.039 2.552 233 3HG2 THR 31 3HG2 THR 31 -10.804 4.793 2.793 234 H SER 32 H SER 32 -9.564 3.152 -1.644 235 HA SER 32 HA SER 32 -9.488 0.524 -0.392 236 1HB SER 32 2HB SER 32 -10.733 -0.006 -2.814 237 2HB SER 32 1HB SER 32 -11.524 0.001 -1.235 238 HG SER 32 HG SER 32 -12.705 1.473 -2.245 239 H CYS 33 H CYS 33 -8.432 -1.065 -1.833 240 HA CYS 33 HA CYS 33 -6.150 -0.079 -3.135 241 1HB CYS 33 2HB CYS 33 -6.460 -2.371 -2.166 242 2HB CYS 33 1HB CYS 33 -7.445 -2.770 -3.564 243 H ASP 34 H ASP 34 -5.541 -0.573 -5.352 244 HA ASP 34 HA ASP 34 -7.703 -0.111 -7.280 245 1HB ASP 34 2HB ASP 34 -5.103 0.955 -7.068 246 2HB ASP 34 1HB ASP 34 -5.042 -0.159 -8.429 247 H ARG 35 H ARG 35 -6.036 -2.514 -5.809 248 HA ARG 35 HA ARG 35 -6.257 -4.325 -8.122 249 1HB ARG 35 2HB ARG 35 -3.911 -3.652 -7.165 250 2HB ARG 35 1HB ARG 35 -4.308 -4.824 -5.914 251 1HG ARG 35 2HG ARG 35 -4.534 -5.569 -8.793 252 2HG ARG 35 1HG ARG 35 -2.964 -5.566 -7.989 253 1HD ARG 35 2HD ARG 35 -5.325 -6.985 -6.802 254 2HD ARG 35 1HD ARG 35 -4.314 -7.755 -8.024 255 HE ARG 35 HE ARG 35 -3.364 -6.842 -5.373 256 1HH1 ARG 35 2HH1 ARG 35 -3.148 -8.930 -8.182 257 2HH1 ARG 35 1HH1 ARG 35 -1.843 -9.882 -7.532 258 1HH2 ARG 35 2HH2 ARG 35 -1.653 -8.075 -4.527 259 2HH2 ARG 35 1HH2 ARG 35 -0.982 -9.391 -5.450 260 H CYS 36 H CYS 36 -5.879 -4.595 -4.532 261 HA CYS 36 HA CYS 36 -7.385 -7.057 -4.628 262 1HB CYS 36 2HB CYS 36 -6.975 -7.200 -2.195 263 2HB CYS 36 1HB CYS 36 -5.497 -7.016 -3.115 264 H GLY 37 H GLY 37 -7.985 -3.757 -3.978 265 1HA GLY 37 1HA GLY 37 -10.031 -2.691 -3.817 266 2HA GLY 37 2HA GLY 37 -10.813 -4.265 -3.848 267 H ARG 38 H ARG 38 -8.395 -4.241 -1.537 268 HA ARG 38 HA ARG 38 -10.236 -4.432 0.607 269 1HB ARG 38 2HB ARG 38 -7.359 -4.661 0.232 270 2HB ARG 38 1HB ARG 38 -7.762 -3.874 1.752 271 1HG ARG 38 2HG ARG 38 -7.737 -6.043 2.426 272 2HG ARG 38 1HG ARG 38 -9.434 -5.897 1.968 273 1HD ARG 38 2HD ARG 38 -8.598 -7.936 1.044 274 2HD ARG 38 1HD ARG 38 -8.828 -6.796 -0.281 275 HE ARG 38 HE ARG 38 -6.453 -6.491 -0.381 276 1HH1 ARG 38 2HH1 ARG 38 -7.562 -9.168 1.599 277 2HH1 ARG 38 1HH1 ARG 38 -6.010 -9.954 1.629 278 1HH2 ARG 38 2HH2 ARG 38 -4.421 -7.525 -0.356 279 2HH2 ARG 38 1HH2 ARG 38 -4.202 -8.998 0.547 280 H GLU 39 H GLU 39 -10.803 -2.972 2.182 281 HA GLU 39 HA GLU 39 -10.586 -0.207 1.391 282 1HB GLU 39 2HB GLU 39 -11.814 -0.796 3.999 283 2HB GLU 39 1HB GLU 39 -12.417 0.169 2.660 284 1HG GLU 39 2HG GLU 39 -13.907 -1.463 2.399 285 2HG GLU 39 1HG GLU 39 -12.588 -2.360 1.646 286 H LYS 40 H LYS 40 -9.600 1.423 2.504 287 HA LYS 40 HA LYS 40 -7.196 0.785 3.805 288 1HB LYS 40 2HB LYS 40 -7.745 2.903 2.514 289 2HB LYS 40 1HB LYS 40 -8.600 3.449 3.952 290 1HG LYS 40 2HG LYS 40 -6.360 2.953 5.161 291 2HG LYS 40 1HG LYS 40 -5.674 3.029 3.537 292 1HD LYS 40 2HD LYS 40 -5.839 5.257 3.466 293 2HD LYS 40 1HD LYS 40 -7.489 5.234 4.090 294 1HE LYS 40 2HE LYS 40 -5.579 4.521 6.139 295 2HE LYS 40 1HE LYS 40 -5.192 6.085 5.423 296 1HZ LYS 40 1HZ LYS 40 -7.284 5.402 7.221 297 2HZ LYS 40 2HZ LYS 40 -7.918 6.113 5.818 298 3HZ LYS 40 3HZ LYS 40 -6.746 6.932 6.730 299 H THR 41 H THR 41 -7.425 -0.397 5.629 300 HA THR 41 HA THR 41 -9.222 0.493 7.732 301 HB THR 41 HB THR 41 -7.679 -1.681 8.641 302 HG1 THR 41 1HG THR 41 -8.481 -1.933 5.905 303 1HG2 THR 41 1HG2 THR 41 -10.370 -0.982 8.273 304 2HG2 THR 41 2HG2 THR 41 -9.738 -2.380 9.142 305 3HG2 THR 41 3HG2 THR 41 -10.149 -2.515 7.430 306 H THR 42 H THR 42 -8.533 1.918 9.187 307 HA THR 42 HA THR 42 -5.630 2.267 9.506 308 HB THR 42 HB THR 42 -7.438 4.418 10.426 309 HG1 THR 42 1HG THR 42 -7.980 3.346 8.127 310 1HG2 THR 42 1HG2 THR 42 -5.096 4.614 8.550 311 2HG2 THR 42 2HG2 THR 42 -4.868 4.410 10.287 312 3HG2 THR 42 3HG2 THR 42 -5.719 5.826 9.671 313 H GLY 43 H GLY 43 -4.846 1.489 11.320 314 1HA GLY 43 1HA GLY 43 -5.827 2.259 13.869 315 2HA GLY 43 2HA GLY 43 -6.293 0.596 13.526 316 HA PRO 44 HA PRO 44 -2.162 -0.587 14.834 317 1HB PRO 44 2HB PRO 44 -2.564 -3.054 13.310 318 2HB PRO 44 1HB PRO 44 -2.386 -2.844 15.054 319 1HG PRO 44 2HG PRO 44 -4.731 -3.555 13.914 320 2HG PRO 44 1HG PRO 44 -4.648 -2.571 15.386 321 1HD PRO 44 2HD PRO 44 -5.140 -1.717 12.558 322 2HD PRO 44 1HD PRO 44 -5.919 -1.162 14.054 323 H ILE 45 H ILE 45 -3.365 -0.560 11.613 324 HA ILE 45 HA ILE 45 -0.731 0.143 10.598 325 HB ILE 45 HB ILE 45 -1.667 -1.283 8.467 326 1HG1 ILE 45 2HG1 ILE 45 -1.944 -3.421 10.443 327 1HG2 ILE 45 1HG2 ILE 45 0.233 -2.068 10.655 328 2HG2 ILE 45 2HG2 ILE 45 0.015 -3.039 9.199 329 3HG2 ILE 45 3HG2 ILE 45 0.598 -1.379 9.072 330 1HD1 ILE 45 1HD1 ILE 45 -3.777 -4.128 9.072 331 2HD1 ILE 45 2HD1 ILE 45 -3.772 -2.589 8.206 332 3HD1 ILE 45 3HD1 ILE 45 -2.412 -3.699 8.041 Start of MODEL 16 1 1H GLY 1 1H GLY 1 17.837 8.257 -14.370 2 2H GLY 1 2H GLY 1 16.682 7.203 -15.028 3 3H GLY 1 3H GLY 1 16.802 8.796 -15.599 4 1HA GLY 1 2HA GLY 1 17.911 6.710 -16.819 5 2HA GLY 1 1HA GLY 1 18.512 8.357 -16.950 6 H SER 2 H SER 2 20.044 8.989 -15.109 7 HA SER 2 HA SER 2 21.957 6.781 -14.774 8 1HB SER 2 2HB SER 2 22.830 9.545 -14.197 9 2HB SER 2 1HB SER 2 23.638 8.275 -15.117 10 HG SER 2 HG SER 2 22.168 8.716 -16.842 11 H MET 3 H MET 3 22.417 6.044 -12.802 12 HA MET 3 HA MET 3 22.272 5.688 -10.563 13 1HB MET 3 2HB MET 3 23.340 8.284 -10.974 14 2HB MET 3 1HB MET 3 22.268 8.372 -9.583 15 1HG MET 3 2HG MET 3 23.987 6.038 -9.513 16 2HG MET 3 1HG MET 3 24.893 7.549 -9.579 17 1HE MET 3 1HE MET 3 22.416 5.355 -7.958 18 2HE MET 3 2HE MET 3 23.741 5.099 -6.824 19 3HE MET 3 3HE MET 3 22.263 5.895 -6.285 20 H SER 4 H SER 4 19.828 5.545 -11.685 21 HA SER 4 HA SER 4 18.107 6.622 -9.583 22 1HB SER 4 2HB SER 4 16.586 6.880 -11.942 23 2HB SER 4 1HB SER 4 17.202 8.182 -10.925 24 HG SER 4 HG SER 4 19.193 7.983 -12.189 25 H THR 5 H THR 5 17.540 4.675 -8.747 26 HA THR 5 HA THR 5 16.894 2.437 -10.437 27 HB THR 5 HB THR 5 16.037 2.072 -7.715 28 HG1 THR 5 1HG THR 5 18.749 2.525 -7.601 29 1HG2 THR 5 1HG2 THR 5 18.345 0.975 -9.332 30 2HG2 THR 5 2HG2 THR 5 16.744 0.256 -9.153 31 3HG2 THR 5 3HG2 THR 5 17.828 0.348 -7.766 32 H LYS 6 H LYS 6 14.822 2.742 -7.721 33 HA LYS 6 HA LYS 6 12.537 3.111 -9.531 34 1HB LYS 6 2HB LYS 6 12.568 2.076 -6.688 35 2HB LYS 6 1HB LYS 6 11.179 2.116 -7.766 36 1HG LYS 6 2HG LYS 6 12.503 0.603 -9.306 37 2HG LYS 6 1HG LYS 6 13.631 0.396 -7.965 38 1HD LYS 6 2HD LYS 6 12.263 -1.019 -6.913 39 2HD LYS 6 1HD LYS 6 10.871 0.044 -7.139 40 1HE LYS 6 2HE LYS 6 10.120 -1.142 -8.874 41 2HE LYS 6 1HE LYS 6 11.716 -1.206 -9.616 42 1HZ LYS 6 1HZ LYS 6 11.356 -3.398 -9.167 43 2HZ LYS 6 2HZ LYS 6 10.452 -3.097 -7.764 44 3HZ LYS 6 3HZ LYS 6 12.144 -2.942 -7.733 45 H ASN 7 H ASN 7 10.653 4.324 -8.584 46 HA ASN 7 HA ASN 7 11.633 6.768 -7.320 47 1HB ASN 7 2HB ASN 7 10.036 6.735 -9.338 48 2HB ASN 7 1HB ASN 7 8.789 6.265 -8.188 49 1HD2 ASN 7 1HD2 ASN 7 10.335 8.814 -9.656 50 2HD2 ASN 7 2HD2 ASN 7 9.847 10.091 -8.592 51 H PHE 8 H PHE 8 12.044 5.918 -5.255 52 HA PHE 8 HA PHE 8 9.835 4.745 -3.777 53 1HB PHE 8 2HB PHE 8 12.706 4.640 -3.641 54 2HB PHE 8 1HB PHE 8 12.061 5.129 -2.078 55 HD1 PHE 8 1HD PHE 8 12.685 3.129 -0.927 56 HD2 PHE 8 2HD PHE 8 10.241 2.948 -4.405 57 HE1 PHE 8 1HE PHE 8 12.140 0.785 -0.419 58 HE2 PHE 8 2HE PHE 8 9.694 0.604 -3.901 59 HZ PHE 8 HZ PHE 8 10.643 -0.481 -1.906 60 H ARG 9 H ARG 9 9.403 7.417 -4.511 61 HA ARG 9 HA ARG 9 9.959 9.040 -2.171 62 1HB ARG 9 2HB ARG 9 9.370 9.578 -4.891 63 2HB ARG 9 1HB ARG 9 8.069 10.274 -3.936 64 1HG ARG 9 2HG ARG 9 11.013 10.818 -3.593 65 2HG ARG 9 1HG ARG 9 9.828 11.899 -4.324 66 1HD ARG 9 2HD ARG 9 9.895 12.766 -2.210 67 2HD ARG 9 1HD ARG 9 8.603 11.581 -2.014 68 HE ARG 9 HE ARG 9 11.173 10.472 -1.418 69 1HH1 ARG 9 2HH1 ARG 9 8.647 12.526 -0.102 70 2HH1 ARG 9 1HH1 ARG 9 8.982 12.092 1.548 71 1HH2 ARG 9 2HH2 ARG 9 11.627 9.925 0.759 72 2HH2 ARG 9 1HH2 ARG 9 10.688 10.629 2.043 73 H VAL 10 H VAL 10 8.803 7.497 -0.794 74 HA VAL 10 HA VAL 10 5.938 7.373 -0.980 75 HB VAL 10 HB VAL 10 7.732 6.579 1.320 76 1HG1 VAL 10 1HG1 VAL 10 5.090 6.936 1.488 77 2HG1 VAL 10 2HG1 VAL 10 5.109 5.294 0.847 78 3HG1 VAL 10 3HG1 VAL 10 5.936 5.659 2.362 79 1HG2 VAL 10 1HG2 VAL 10 6.575 4.437 -0.265 80 2HG2 VAL 10 2HG2 VAL 10 7.659 5.463 -1.204 81 3HG2 VAL 10 3HG2 VAL 10 8.239 4.679 0.266 82 H SER 11 H SER 11 4.859 9.212 -0.662 83 HA SER 11 HA SER 11 5.742 11.179 1.264 84 1HB SER 11 2HB SER 11 3.112 11.668 0.163 85 2HB SER 11 1HB SER 11 4.597 12.598 -0.045 86 HG SER 11 HG SER 11 3.539 10.518 -1.620 87 H ASP 12 H ASP 12 3.994 12.149 2.737 88 HA ASP 12 HA ASP 12 2.777 10.008 4.259 89 1HB ASP 12 2HB ASP 12 3.839 12.149 5.228 90 2HB ASP 12 1HB ASP 12 2.332 12.935 4.786 91 H GLY 13 H GLY 13 0.571 9.786 4.613 92 1HA GLY 13 1HA GLY 13 -1.694 10.028 3.997 93 2HA GLY 13 2HA GLY 13 -1.213 11.105 2.695 94 H ASP 14 H ASP 14 0.836 9.418 1.704 95 HA ASP 14 HA ASP 14 -0.555 7.685 -0.039 96 1HB ASP 14 2HB ASP 14 2.387 7.727 0.708 97 2HB ASP 14 1HB ASP 14 1.708 6.809 -0.626 98 H TRP 15 H TRP 15 -0.703 5.389 0.000 99 HA TRP 15 HA TRP 15 0.296 3.995 2.326 100 1HB TRP 15 2HB TRP 15 -1.817 3.252 3.182 101 2HB TRP 15 1HB TRP 15 -1.865 5.006 3.089 102 HD1 TRP 15 HD TRP 15 -3.199 5.955 0.758 103 HE1 TRP 15 1HE TRP 15 -5.394 5.072 -0.243 104 HE3 TRP 15 3HE TRP 15 -3.240 1.301 2.882 105 HZ2 TRP 15 2HZ TRP 15 -6.950 2.701 -0.130 106 HZ3 TRP 15 3HZ TRP 15 -5.099 -0.207 2.405 107 HH2 TRP 15 HH TRP 15 -6.927 0.473 0.913 108 H ILE 16 H ILE 16 0.187 1.740 2.161 109 HA ILE 16 HA ILE 16 -0.482 0.727 -0.512 110 HB ILE 16 HB ILE 16 0.961 -1.243 0.164 111 1HG1 ILE 16 2HG1 ILE 16 2.558 0.297 2.037 112 1HG2 ILE 16 1HG2 ILE 16 3.079 0.535 0.121 113 2HG2 ILE 16 2HG2 ILE 16 2.256 -0.146 -1.281 114 3HG2 ILE 16 3HG2 ILE 16 1.761 1.423 -0.645 115 1HD1 ILE 16 1HD1 ILE 16 3.003 -1.698 2.919 116 2HD1 ILE 16 2HD1 ILE 16 1.298 -2.140 3.015 117 3HD1 ILE 16 3HD1 ILE 16 2.177 -2.348 1.501 118 H CYS 17 H CYS 17 -1.425 -1.480 -0.512 119 HA CYS 17 HA CYS 17 -3.767 -1.674 0.856 120 1HB CYS 17 2HB CYS 17 -2.910 -3.112 -1.083 121 2HB CYS 17 1HB CYS 17 -2.161 -4.129 0.132 122 HA PRO 18 HA PRO 18 -2.834 -2.572 5.015 123 1HB PRO 18 2HB PRO 18 -5.305 -4.164 5.184 124 2HB PRO 18 1HB PRO 18 -4.871 -2.672 6.025 125 1HG PRO 18 2HG PRO 18 -6.702 -2.700 4.059 126 2HG PRO 18 1HG PRO 18 -5.601 -1.328 4.292 127 1HD PRO 18 2HD PRO 18 -5.447 -3.565 2.308 128 2HD PRO 18 1HD PRO 18 -5.143 -1.832 2.075 129 H ASP 19 H ASP 19 -2.902 -4.909 2.668 130 HA ASP 19 HA ASP 19 -2.265 -7.110 4.522 131 1HB ASP 19 2HB ASP 19 -4.228 -7.216 2.764 132 2HB ASP 19 1HB ASP 19 -2.920 -7.575 1.643 133 H LYS 20 H LYS 20 -0.665 -8.683 3.672 134 HA LYS 20 HA LYS 20 1.570 -7.245 2.431 135 1HB LYS 20 2HB LYS 20 2.723 -9.526 3.181 136 2HB LYS 20 1HB LYS 20 2.491 -8.187 4.297 137 1HG LYS 20 2HG LYS 20 0.214 -10.006 4.193 138 2HG LYS 20 1HG LYS 20 1.713 -10.777 4.717 139 1HD LYS 20 2HD LYS 20 1.308 -8.174 5.955 140 2HD LYS 20 1HD LYS 20 -0.012 -9.297 6.300 141 1HE LYS 20 2HE LYS 20 1.266 -10.253 7.848 142 2HE LYS 20 1HE LYS 20 2.371 -10.766 6.573 143 1HZ LYS 20 1HZ LYS 20 2.534 -8.073 7.793 144 2HZ LYS 20 2HZ LYS 20 3.716 -8.894 6.890 145 3HZ LYS 20 3HZ LYS 20 3.337 -9.411 8.461 146 H LYS 21 H LYS 21 -0.746 -9.727 1.884 147 HA LYS 21 HA LYS 21 0.622 -11.119 -0.187 148 1HB LYS 21 2HB LYS 21 -1.198 -12.442 -0.176 149 2HB LYS 21 1HB LYS 21 -1.726 -11.492 1.203 150 1HG LYS 21 2HG LYS 21 -2.578 -10.023 -0.985 151 2HG LYS 21 1HG LYS 21 -2.860 -11.703 -1.447 152 1HD LYS 21 2HD LYS 21 -4.497 -11.976 0.073 153 2HD LYS 21 1HD LYS 21 -3.650 -11.033 1.301 154 1HE LYS 21 2HE LYS 21 -4.267 -9.010 -0.215 155 2HE LYS 21 1HE LYS 21 -5.474 -10.106 -0.882 156 1HZ LYS 21 1HZ LYS 21 -6.572 -10.257 1.144 157 2HZ LYS 21 2HZ LYS 21 -6.142 -8.613 1.059 158 3HZ LYS 21 3HZ LYS 21 -5.247 -9.675 2.037 159 H CYS 22 H CYS 22 -1.229 -8.216 -0.018 160 HA CYS 22 HA CYS 22 -1.414 -7.914 -2.897 161 1HB CYS 22 2HB CYS 22 -2.976 -7.110 -0.779 162 2HB CYS 22 1HB CYS 22 -2.119 -5.635 -1.195 163 H GLY 23 H GLY 23 -0.621 -5.458 -0.506 164 1HA GLY 23 1HA GLY 23 1.102 -3.944 -0.384 165 2HA GLY 23 2HA GLY 23 2.062 -5.028 -1.387 166 H ASN 24 H ASN 24 -1.069 -3.736 -2.216 167 HA ASN 24 HA ASN 24 -0.224 -2.778 -4.744 168 1HB ASN 24 2HB ASN 24 -2.527 -3.489 -4.350 169 2HB ASN 24 1HB ASN 24 -2.745 -2.209 -3.160 170 1HD2 ASN 24 1HD2 ASN 24 -3.357 -0.246 -3.823 171 2HD2 ASN 24 2HD2 ASN 24 -3.566 0.212 -5.480 172 H VAL 25 H VAL 25 0.165 -0.681 -5.450 173 HA VAL 25 HA VAL 25 0.896 1.178 -3.343 174 HB VAL 25 HB VAL 25 1.699 2.541 -5.441 175 1HG1 VAL 25 1HG1 VAL 25 3.212 0.040 -4.748 176 2HG1 VAL 25 2HG1 VAL 25 3.848 1.632 -5.166 177 3HG1 VAL 25 3HG1 VAL 25 3.042 1.384 -3.619 178 1HG2 VAL 25 1HG2 VAL 25 1.896 1.486 -7.430 179 2HG2 VAL 25 2HG2 VAL 25 2.174 -0.090 -6.691 180 3HG2 VAL 25 3HG2 VAL 25 0.535 0.547 -6.819 181 H ASN 26 H ASN 26 -1.132 1.831 -2.651 182 HA ASN 26 HA ASN 26 -2.977 3.083 -4.474 183 1HB ASN 26 2HB ASN 26 -3.117 3.434 -1.498 184 2HB ASN 26 1HB ASN 26 -4.429 3.297 -2.661 185 1HD2 ASN 26 1HD2 ASN 26 -5.523 1.461 -2.493 186 2HD2 ASN 26 2HD2 ASN 26 -4.877 -0.058 -1.974 187 H PHE 27 H PHE 27 -2.746 5.042 -5.221 188 HA PHE 27 HA PHE 27 -0.775 6.804 -5.002 189 1HB PHE 27 2HB PHE 27 -2.730 7.054 -6.490 190 2HB PHE 27 1HB PHE 27 -3.695 7.601 -5.138 191 HD1 PHE 27 1HD PHE 27 -0.387 8.445 -6.659 192 HD2 PHE 27 2HD PHE 27 -4.085 9.835 -5.066 193 HE1 PHE 27 1HE PHE 27 0.286 10.762 -7.129 194 HE2 PHE 27 2HE PHE 27 -3.416 12.156 -5.534 195 HZ PHE 27 HZ PHE 27 -1.228 12.621 -6.567 196 H ALA 28 H ALA 28 -3.727 7.561 -3.219 197 HA ALA 28 HA ALA 28 -2.747 8.119 -0.715 198 1HB ALA 28 1HB ALA 28 -2.785 10.709 -0.953 199 2HB ALA 28 2HB ALA 28 -1.317 9.839 -1.395 200 3HB ALA 28 3HB ALA 28 -2.424 10.396 -2.652 201 H ARG 29 H ARG 29 -4.658 9.498 -3.332 202 HA ARG 29 HA ARG 29 -6.966 9.798 -1.611 203 1HB ARG 29 2HB ARG 29 -7.100 11.606 -2.960 204 2HB ARG 29 1HB ARG 29 -5.995 10.920 -4.130 205 1HG ARG 29 2HG ARG 29 -7.965 9.564 -4.949 206 2HG ARG 29 1HG ARG 29 -8.967 10.655 -3.992 207 1HD ARG 29 2HD ARG 29 -8.648 12.395 -5.404 208 2HD ARG 29 1HD ARG 29 -6.976 11.943 -5.742 209 HE ARG 29 HE ARG 29 -7.852 10.259 -7.288 210 1HH1 ARG 29 2HH1 ARG 29 -9.939 12.914 -6.350 211 2HH1 ARG 29 1HH1 ARG 29 -11.012 12.726 -7.704 212 1HH2 ARG 29 2HH2 ARG 29 -9.253 10.026 -9.101 213 2HH2 ARG 29 1HH2 ARG 29 -10.627 11.076 -9.254 214 H ARG 30 H ARG 30 -7.038 7.589 -1.139 215 HA ARG 30 HA ARG 30 -8.564 5.985 -3.009 216 1HB ARG 30 2HB ARG 30 -5.846 5.152 -1.970 217 2HB ARG 30 1HB ARG 30 -7.024 4.001 -2.577 218 1HG ARG 30 2HG ARG 30 -5.866 6.270 -4.185 219 2HG ARG 30 1HG ARG 30 -5.279 4.604 -4.215 220 1HD ARG 30 2HD ARG 30 -6.959 3.913 -5.526 221 2HD ARG 30 1HD ARG 30 -8.161 4.846 -4.635 222 HE ARG 30 HE ARG 30 -7.523 6.779 -5.960 223 1HH1 ARG 30 2HH1 ARG 30 -6.509 3.638 -7.132 224 2HH1 ARG 30 1HH1 ARG 30 -6.289 4.171 -8.769 225 1HH2 ARG 30 2HH2 ARG 30 -7.207 7.496 -8.100 226 2HH2 ARG 30 1HH2 ARG 30 -6.657 6.375 -9.307 227 H THR 31 H THR 31 -10.199 5.279 -1.804 228 HA THR 31 HA THR 31 -9.836 5.051 1.084 229 HB THR 31 HB THR 31 -12.512 4.578 -0.048 230 HG1 THR 31 1HG THR 31 -11.121 7.055 -0.359 231 1HG2 THR 31 1HG2 THR 31 -11.285 5.615 2.351 232 2HG2 THR 31 2HG2 THR 31 -12.941 5.068 2.091 233 3HG2 THR 31 3HG2 THR 31 -12.497 6.738 1.738 234 H SER 32 H SER 32 -9.804 3.134 -1.637 235 HA SER 32 HA SER 32 -9.774 0.756 0.037 236 1HB SER 32 2HB SER 32 -11.312 0.689 -2.560 237 2HB SER 32 1HB SER 32 -11.309 -0.500 -1.256 238 HG SER 32 HG SER 32 -12.124 1.641 -0.095 239 H CYS 33 H CYS 33 -8.981 -1.145 -1.349 240 HA CYS 33 HA CYS 33 -6.561 -0.473 -2.605 241 1HB CYS 33 2HB CYS 33 -7.249 -2.667 -1.483 242 2HB CYS 33 1HB CYS 33 -8.029 -3.062 -3.007 243 H ASP 34 H ASP 34 -5.904 -0.734 -4.735 244 HA ASP 34 HA ASP 34 -8.000 -0.418 -6.763 245 1HB ASP 34 2HB ASP 34 -5.795 1.087 -6.451 246 2HB ASP 34 1HB ASP 34 -5.116 -0.173 -7.478 247 H ARG 35 H ARG 35 -6.076 -2.702 -5.332 248 HA ARG 35 HA ARG 35 -5.741 -4.316 -7.759 249 1HB ARG 35 2HB ARG 35 -3.957 -3.803 -5.826 250 2HB ARG 35 1HB ARG 35 -4.693 -5.255 -5.160 251 1HG ARG 35 2HG ARG 35 -4.118 -6.516 -7.113 252 2HG ARG 35 1HG ARG 35 -3.539 -5.063 -7.936 253 1HD ARG 35 2HD ARG 35 -1.553 -5.886 -7.171 254 2HD ARG 35 1HD ARG 35 -2.026 -4.893 -5.794 255 HE ARG 35 HE ARG 35 -2.793 -6.920 -4.691 256 1HH1 ARG 35 2HH1 ARG 35 -0.636 -7.253 -7.416 257 2HH1 ARG 35 1HH1 ARG 35 -0.168 -8.878 -7.033 258 1HH2 ARG 35 2HH2 ARG 35 -2.216 -9.080 -4.181 259 2HH2 ARG 35 1HH2 ARG 35 -1.073 -9.928 -5.186 260 H CYS 36 H CYS 36 -6.512 -5.000 -4.340 261 HA CYS 36 HA CYS 36 -8.021 -7.319 -5.236 262 1HB CYS 36 2HB CYS 36 -7.938 -8.068 -2.931 263 2HB CYS 36 1HB CYS 36 -6.330 -7.594 -3.458 264 H GLY 37 H GLY 37 -8.489 -4.274 -3.568 265 1HA GLY 37 1HA GLY 37 -10.579 -3.103 -3.838 266 2HA GLY 37 2HA GLY 37 -11.393 -4.661 -3.879 267 H ARG 38 H ARG 38 -9.036 -4.741 -1.538 268 HA ARG 38 HA ARG 38 -10.765 -4.883 0.645 269 1HB ARG 38 2HB ARG 38 -8.309 -5.635 0.432 270 2HB ARG 38 1HB ARG 38 -7.901 -3.988 0.889 271 1HG ARG 38 2HG ARG 38 -7.823 -5.311 2.853 272 2HG ARG 38 1HG ARG 38 -9.274 -4.312 2.953 273 1HD ARG 38 2HD ARG 38 -10.128 -6.620 1.675 274 2HD ARG 38 1HD ARG 38 -9.005 -7.203 2.906 275 HE ARG 38 HE ARG 38 -11.097 -5.303 3.692 276 1HH1 ARG 38 2HH1 ARG 38 -9.900 -8.603 3.723 277 2HH1 ARG 38 1HH1 ARG 38 -10.902 -9.071 5.067 278 1HH2 ARG 38 2HH2 ARG 38 -12.359 -5.910 5.472 279 2HH2 ARG 38 1HH2 ARG 38 -12.286 -7.547 6.061 280 H GLU 39 H GLU 39 -11.463 -3.457 2.160 281 HA GLU 39 HA GLU 39 -11.646 -0.716 1.394 282 1HB GLU 39 2HB GLU 39 -13.107 -0.474 3.235 283 2HB GLU 39 1HB GLU 39 -13.384 -2.106 2.645 284 1HG GLU 39 2HG GLU 39 -11.413 -1.686 4.833 285 2HG GLU 39 1HG GLU 39 -13.134 -1.612 5.204 286 H LYS 40 H LYS 40 -11.207 1.031 3.092 287 HA LYS 40 HA LYS 40 -8.432 0.953 3.831 288 1HB LYS 40 2HB LYS 40 -9.950 2.983 3.092 289 2HB LYS 40 1HB LYS 40 -10.308 3.069 4.813 290 1HG LYS 40 2HG LYS 40 -8.429 4.186 5.149 291 2HG LYS 40 1HG LYS 40 -7.496 2.828 4.518 292 1HD LYS 40 2HD LYS 40 -6.950 4.032 2.740 293 2HD LYS 40 1HD LYS 40 -8.656 4.175 2.312 294 1HE LYS 40 2HE LYS 40 -8.871 6.241 3.317 295 2HE LYS 40 1HE LYS 40 -7.523 5.959 4.419 296 1HZ LYS 40 1HZ LYS 40 -5.975 6.399 2.758 297 2HZ LYS 40 2HZ LYS 40 -7.156 7.593 2.535 298 3HZ LYS 40 3HZ LYS 40 -7.110 6.245 1.506 299 H THR 41 H THR 41 -9.182 -1.080 5.113 300 HA THR 41 HA THR 41 -10.364 -0.585 7.678 301 HB THR 41 HB THR 41 -10.028 -2.826 6.046 302 HG1 THR 41 1HG THR 41 -11.707 -3.273 7.220 303 1HG2 THR 41 1HG2 THR 41 -8.462 -3.178 8.601 304 2HG2 THR 41 2HG2 THR 41 -7.866 -3.356 6.951 305 3HG2 THR 41 3HG2 THR 41 -9.040 -4.504 7.592 306 H THR 42 H THR 42 -9.372 -0.328 9.603 307 HA THR 42 HA THR 42 -6.581 0.359 9.563 308 HB THR 42 HB THR 42 -7.500 0.355 12.225 309 HG1 THR 42 1HG THR 42 -9.433 1.880 11.428 310 1HG2 THR 42 1HG2 THR 42 -7.666 2.888 11.718 311 2HG2 THR 42 2HG2 THR 42 -7.077 2.451 10.115 312 3HG2 THR 42 3HG2 THR 42 -6.102 2.097 11.541 313 H GLY 43 H GLY 43 -8.607 -2.129 11.046 314 1HA GLY 43 1HA GLY 43 -6.137 -3.631 11.661 315 2HA GLY 43 2HA GLY 43 -7.575 -3.690 12.676 316 HA PRO 44 HA PRO 44 -7.602 -6.455 8.539 317 1HB PRO 44 2HB PRO 44 -5.935 -8.351 10.124 318 2HB PRO 44 1HB PRO 44 -5.925 -8.024 8.387 319 1HG PRO 44 2HG PRO 44 -4.002 -7.064 9.952 320 2HG PRO 44 1HG PRO 44 -4.663 -6.092 8.623 321 1HD PRO 44 2HD PRO 44 -5.158 -5.880 11.560 322 2HD PRO 44 1HD PRO 44 -5.029 -4.598 10.341 323 H ILE 45 H ILE 45 -9.466 -7.512 8.516 324 HA ILE 45 HA ILE 45 -10.634 -8.485 10.967 325 HB ILE 45 HB ILE 45 -11.635 -8.193 8.149 326 1HG1 ILE 45 2HG1 ILE 45 -13.506 -7.106 9.748 327 1HG2 ILE 45 1HG2 ILE 45 -13.339 -9.632 8.370 328 2HG2 ILE 45 2HG2 ILE 45 -12.356 -10.373 9.632 329 3HG2 ILE 45 3HG2 ILE 45 -13.604 -9.204 10.059 330 1HD1 ILE 45 1HD1 ILE 45 -11.017 -5.936 8.630 331 2HD1 ILE 45 2HD1 ILE 45 -12.703 -5.643 8.195 332 3HD1 ILE 45 3HD1 ILE 45 -12.043 -4.957 9.680 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -4.769 2.339 -14.536 2 2H GLY 1 2H GLY 1 -4.998 2.981 -12.983 3 3H GLY 1 3H GLY 1 -5.213 1.322 -13.251 4 1HA GLY 1 2HA GLY 1 -3.020 2.244 -12.195 5 2HA GLY 1 1HA GLY 1 -3.017 0.859 -13.278 6 H SER 2 H SER 2 -3.347 4.346 -13.898 7 HA SER 2 HA SER 2 -1.266 4.115 -15.938 8 1HB SER 2 2HB SER 2 -2.513 6.739 -15.599 9 2HB SER 2 1HB SER 2 -2.389 5.730 -17.041 10 HG SER 2 HG SER 2 -4.568 6.191 -15.906 11 H MET 3 H MET 3 0.723 4.322 -15.128 12 HA MET 3 HA MET 3 1.393 6.758 -13.692 13 1HB MET 3 2HB MET 3 1.005 4.362 -12.280 14 2HB MET 3 1HB MET 3 2.748 4.533 -12.425 15 1HG MET 3 2HG MET 3 0.817 6.480 -11.203 16 2HG MET 3 1HG MET 3 2.052 5.530 -10.380 17 1HE MET 3 1HE MET 3 3.358 8.894 -9.704 18 2HE MET 3 2HE MET 3 2.568 7.409 -9.173 19 3HE MET 3 3HE MET 3 4.296 7.411 -9.529 20 H SER 4 H SER 4 3.409 7.465 -14.136 21 HA SER 4 HA SER 4 4.814 6.286 -16.310 22 1HB SER 4 2HB SER 4 6.300 8.269 -14.762 23 2HB SER 4 1HB SER 4 5.770 8.321 -16.444 24 HG SER 4 HG SER 4 3.769 9.051 -15.789 25 H THR 5 H THR 5 6.340 4.772 -16.252 26 HA THR 5 HA THR 5 7.066 3.453 -13.877 27 HB THR 5 HB THR 5 8.938 3.079 -16.086 28 HG1 THR 5 1HG THR 5 6.160 2.591 -16.574 29 1HG2 THR 5 1HG2 THR 5 7.506 0.775 -15.805 30 2HG2 THR 5 2HG2 THR 5 7.323 1.502 -14.209 31 3HG2 THR 5 3HG2 THR 5 8.934 1.193 -14.855 32 H LYS 6 H LYS 6 8.530 6.098 -15.593 33 HA LYS 6 HA LYS 6 11.096 5.936 -14.355 34 1HB LYS 6 2HB LYS 6 9.702 8.251 -15.716 35 2HB LYS 6 1HB LYS 6 11.384 8.255 -15.209 36 1HG LYS 6 2HG LYS 6 11.437 6.063 -16.708 37 2HG LYS 6 1HG LYS 6 10.095 6.893 -17.496 38 1HD LYS 6 2HD LYS 6 12.830 8.068 -17.009 39 2HD LYS 6 1HD LYS 6 12.256 7.416 -18.544 40 1HE LYS 6 2HE LYS 6 10.468 9.409 -17.369 41 2HE LYS 6 1HE LYS 6 12.071 10.037 -17.751 42 1HZ LYS 6 1HZ LYS 6 10.703 10.326 -19.652 43 2HZ LYS 6 2HZ LYS 6 10.164 8.720 -19.604 44 3HZ LYS 6 3HZ LYS 6 11.778 9.063 -20.008 45 H ASN 7 H ASN 7 8.293 8.070 -13.861 46 HA ASN 7 HA ASN 7 9.484 9.088 -11.410 47 1HB ASN 7 2HB ASN 7 8.447 10.629 -13.104 48 2HB ASN 7 1HB ASN 7 6.883 9.924 -12.710 49 1HD2 ASN 7 1HD2 ASN 7 5.768 11.266 -11.508 50 2HD2 ASN 7 2HD2 ASN 7 6.380 12.211 -10.188 51 H PHE 8 H PHE 8 9.169 6.778 -10.620 52 HA PHE 8 HA PHE 8 6.492 6.226 -9.647 53 1HB PHE 8 2HB PHE 8 8.977 4.722 -9.956 54 2HB PHE 8 1HB PHE 8 8.211 4.442 -8.396 55 HD1 PHE 8 1HD PHE 8 5.342 4.761 -9.267 56 HD2 PHE 8 2HD PHE 8 8.616 2.643 -10.976 57 HE1 PHE 8 1HE PHE 8 3.770 3.190 -10.320 58 HE2 PHE 8 2HE PHE 8 7.049 1.068 -12.033 59 HZ PHE 8 HZ PHE 8 4.621 1.341 -11.707 60 H ARG 9 H ARG 9 7.054 8.571 -8.690 61 HA ARG 9 HA ARG 9 8.579 8.474 -6.239 62 1HB ARG 9 2HB ARG 9 8.262 10.417 -8.061 63 2HB ARG 9 1HB ARG 9 6.987 10.877 -6.942 64 1HG ARG 9 2HG ARG 9 9.372 10.280 -5.485 65 2HG ARG 9 1HG ARG 9 9.726 11.443 -6.763 66 1HD ARG 9 2HD ARG 9 8.796 13.059 -5.562 67 2HD ARG 9 1HD ARG 9 7.266 12.183 -5.555 68 HE ARG 9 HE ARG 9 8.599 10.945 -3.595 69 1HH1 ARG 9 2HH1 ARG 9 8.153 14.354 -4.287 70 2HH1 ARG 9 1HH1 ARG 9 8.231 14.831 -2.613 71 1HH2 ARG 9 2HH2 ARG 9 8.697 11.570 -1.396 72 2HH2 ARG 9 1HH2 ARG 9 8.522 13.252 -0.973 73 H VAL 10 H VAL 10 6.906 6.796 -5.475 74 HA VAL 10 HA VAL 10 4.452 7.758 -4.414 75 HB VAL 10 HB VAL 10 5.294 5.699 -2.719 76 1HG1 VAL 10 1HG1 VAL 10 3.811 4.493 -4.728 77 2HG1 VAL 10 2HG1 VAL 10 3.188 5.266 -3.271 78 3HG1 VAL 10 3HG1 VAL 10 3.316 6.186 -4.770 79 1HG2 VAL 10 1HG2 VAL 10 7.208 5.338 -4.282 80 2HG2 VAL 10 2HG2 VAL 10 6.136 3.948 -4.130 81 3HG2 VAL 10 3HG2 VAL 10 6.042 4.982 -5.557 82 H SER 11 H SER 11 4.106 8.986 -2.666 83 HA SER 11 HA SER 11 6.533 9.898 -1.290 84 1HB SER 11 2HB SER 11 4.001 11.461 -1.182 85 2HB SER 11 1HB SER 11 5.670 12.024 -1.295 86 HG SER 11 HG SER 11 5.023 10.614 -3.496 87 H ASP 12 H ASP 12 4.426 11.338 0.479 88 HA ASP 12 HA ASP 12 4.399 9.246 2.531 89 1HB ASP 12 2HB ASP 12 3.577 11.704 3.640 90 2HB ASP 12 1HB ASP 12 5.108 10.883 3.861 91 H GLY 13 H GLY 13 2.387 11.526 0.851 92 1HA GLY 13 1HA GLY 13 0.040 11.174 2.396 93 2HA GLY 13 2HA GLY 13 0.119 11.892 0.799 94 H ASP 14 H ASP 14 1.466 9.001 0.292 95 HA ASP 14 HA ASP 14 -1.108 7.811 -0.458 96 1HB ASP 14 2HB ASP 14 0.605 6.162 -1.669 97 2HB ASP 14 1HB ASP 14 0.086 7.677 -2.401 98 H TRP 15 H TRP 15 -0.606 5.174 -0.582 99 HA TRP 15 HA TRP 15 0.595 4.211 1.837 100 1HB TRP 15 2HB TRP 15 -1.483 3.374 2.862 101 2HB TRP 15 1HB TRP 15 -1.459 5.131 2.777 102 HD1 TRP 15 HD TRP 15 -3.021 6.217 0.701 103 HE1 TRP 15 1HE TRP 15 -5.301 5.384 -0.161 104 HE3 TRP 15 3HE TRP 15 -2.876 1.422 2.479 105 HZ2 TRP 15 2HZ TRP 15 -6.831 2.999 -0.101 106 HZ3 TRP 15 3HZ TRP 15 -4.775 -0.059 2.045 107 HH2 TRP 15 HH TRP 15 -6.714 0.704 0.763 108 H ILE 16 H ILE 16 0.517 1.888 2.007 109 HA ILE 16 HA ILE 16 -0.055 0.582 -0.556 110 HB ILE 16 HB ILE 16 1.318 -1.285 0.314 111 1HG1 ILE 16 2HG1 ILE 16 2.570 0.312 2.428 112 1HG2 ILE 16 1HG2 ILE 16 2.176 1.221 -0.604 113 2HG2 ILE 16 2HG2 ILE 16 3.313 0.735 0.653 114 3HG2 ILE 16 3HG2 ILE 16 3.022 -0.322 -0.727 115 1HD1 ILE 16 1HD1 ILE 16 2.443 -1.776 3.684 116 2HD1 ILE 16 2HD1 ILE 16 1.515 -2.501 2.370 117 3HD1 ILE 16 3HD1 ILE 16 3.184 -1.999 2.098 118 H CYS 17 H CYS 17 -1.062 -1.570 -0.456 119 HA CYS 17 HA CYS 17 -3.516 -1.562 0.697 120 1HB CYS 17 2HB CYS 17 -2.509 -3.189 -1.040 121 2HB CYS 17 1HB CYS 17 -2.041 -4.156 0.352 122 HA PRO 18 HA PRO 18 -2.999 -2.265 4.997 123 1HB PRO 18 2HB PRO 18 -5.674 -3.447 5.083 124 2HB PRO 18 1HB PRO 18 -5.104 -1.923 5.765 125 1HG PRO 18 2HG PRO 18 -6.772 -1.991 3.666 126 2HG PRO 18 1HG PRO 18 -5.512 -0.750 3.829 127 1HD PRO 18 2HD PRO 18 -5.473 -3.271 2.196 128 2HD PRO 18 1HD PRO 18 -5.007 -1.628 1.727 129 H ASP 19 H ASP 19 -3.129 -4.708 2.789 130 HA ASP 19 HA ASP 19 -2.744 -6.776 4.849 131 1HB ASP 19 2HB ASP 19 -4.939 -6.782 3.331 132 2HB ASP 19 1HB ASP 19 -3.850 -7.584 2.207 133 H LYS 20 H LYS 20 -1.451 -8.643 4.056 134 HA LYS 20 HA LYS 20 0.856 -7.547 2.658 135 1HB LYS 20 2HB LYS 20 0.403 -9.937 4.406 136 2HB LYS 20 1HB LYS 20 1.837 -9.844 3.394 137 1HG LYS 20 2HG LYS 20 2.638 -8.949 5.326 138 2HG LYS 20 1HG LYS 20 2.082 -7.485 4.513 139 1HD LYS 20 2HD LYS 20 -0.071 -7.696 5.756 140 2HD LYS 20 1HD LYS 20 0.635 -9.047 6.647 141 1HE LYS 20 2HE LYS 20 2.534 -7.396 7.199 142 2HE LYS 20 1HE LYS 20 1.391 -6.148 6.708 143 1HZ LYS 20 1HZ LYS 20 0.029 -7.843 8.430 144 2HZ LYS 20 2HZ LYS 20 0.537 -6.252 8.729 145 3HZ LYS 20 3HZ LYS 20 1.541 -7.554 9.149 146 H LYS 21 H LYS 21 -1.718 -9.745 2.061 147 HA LYS 21 HA LYS 21 -0.576 -11.348 0.060 148 1HB LYS 21 2HB LYS 21 -3.435 -10.394 0.299 149 2HB LYS 21 1HB LYS 21 -2.888 -11.718 -0.722 150 1HG LYS 21 2HG LYS 21 -1.938 -12.594 1.598 151 2HG LYS 21 1HG LYS 21 -3.265 -11.607 2.211 152 1HD LYS 21 2HD LYS 21 -4.867 -12.840 0.938 153 2HD LYS 21 1HD LYS 21 -3.596 -13.688 0.055 154 1HE LYS 21 2HE LYS 21 -3.060 -15.035 1.859 155 2HE LYS 21 1HE LYS 21 -3.725 -13.899 3.031 156 1HZ LYS 21 1HZ LYS 21 -5.518 -15.225 1.108 157 2HZ LYS 21 2HZ LYS 21 -5.861 -14.625 2.658 158 3HZ LYS 21 3HZ LYS 21 -4.987 -16.071 2.479 159 H CYS 22 H CYS 22 -1.496 -8.065 0.070 160 HA CYS 22 HA CYS 22 -1.452 -7.834 -2.851 161 1HB CYS 22 2HB CYS 22 -3.024 -6.702 -0.853 162 2HB CYS 22 1HB CYS 22 -1.925 -5.413 -1.308 163 H GLY 23 H GLY 23 -0.598 -5.419 -0.459 164 1HA GLY 23 1HA GLY 23 1.357 -4.250 -0.085 165 2HA GLY 23 2HA GLY 23 2.214 -5.416 -1.091 166 H ASN 24 H ASN 24 -0.643 -3.856 -2.237 167 HA ASN 24 HA ASN 24 0.771 -2.714 -4.470 168 1HB ASN 24 2HB ASN 24 -1.384 -3.638 -4.932 169 2HB ASN 24 1HB ASN 24 -2.128 -2.734 -3.622 170 1HD2 ASN 24 1HD2 ASN 24 -2.844 -0.698 -3.985 171 2HD2 ASN 24 2HD2 ASN 24 -2.756 0.098 -5.516 172 H VAL 25 H VAL 25 1.393 -0.631 -4.739 173 HA VAL 25 HA VAL 25 0.957 1.267 -2.614 174 HB VAL 25 HB VAL 25 2.021 2.873 -4.383 175 1HG1 VAL 25 1HG1 VAL 25 3.553 0.634 -3.068 176 2HG1 VAL 25 2HG1 VAL 25 4.274 2.110 -3.713 177 3HG1 VAL 25 3HG1 VAL 25 3.145 2.197 -2.360 178 1HG2 VAL 25 1HG2 VAL 25 1.725 1.225 -6.241 179 2HG2 VAL 25 2HG2 VAL 25 3.365 1.848 -6.061 180 3HG2 VAL 25 3HG2 VAL 25 2.965 0.234 -5.477 181 H ASN 26 H ASN 26 -0.852 2.370 -2.403 182 HA ASN 26 HA ASN 26 -2.657 2.614 -4.677 183 1HB ASN 26 2HB ASN 26 -2.924 2.726 -1.723 184 2HB ASN 26 1HB ASN 26 -4.041 3.724 -2.654 185 1HD2 ASN 26 1HD2 ASN 26 -3.303 0.591 -1.574 186 2HD2 ASN 26 2HD2 ASN 26 -4.540 -0.260 -2.429 187 H PHE 27 H PHE 27 -3.741 4.667 -5.092 188 HA PHE 27 HA PHE 27 -1.936 6.623 -5.825 189 1HB PHE 27 2HB PHE 27 -4.187 6.311 -6.807 190 2HB PHE 27 1HB PHE 27 -4.902 7.003 -5.356 191 HD1 PHE 27 1HD PHE 27 -2.122 7.937 -7.679 192 HD2 PHE 27 2HD PHE 27 -5.659 9.132 -5.642 193 HE1 PHE 27 1HE PHE 27 -1.923 10.186 -8.660 194 HE2 PHE 27 2HE PHE 27 -5.469 11.380 -6.615 195 HZ PHE 27 HZ PHE 27 -3.603 11.910 -8.125 196 H ALA 28 H ALA 28 -4.546 7.468 -3.577 197 HA ALA 28 HA ALA 28 -2.974 8.185 -1.376 198 1HB ALA 28 1HB ALA 28 -1.993 10.042 -2.223 199 2HB ALA 28 2HB ALA 28 -3.233 10.265 -3.458 200 3HB ALA 28 3HB ALA 28 -3.537 10.781 -1.799 201 H ARG 29 H ARG 29 -5.632 9.854 -3.083 202 HA ARG 29 HA ARG 29 -7.312 9.991 -0.804 203 1HB ARG 29 2HB ARG 29 -7.459 10.643 -3.677 204 2HB ARG 29 1HB ARG 29 -8.999 10.301 -2.906 205 1HG ARG 29 2HG ARG 29 -8.005 12.721 -3.030 206 2HG ARG 29 1HG ARG 29 -8.943 12.182 -1.641 207 1HD ARG 29 2HD ARG 29 -6.927 11.772 -0.388 208 2HD ARG 29 1HD ARG 29 -5.934 12.117 -1.803 209 HE ARG 29 HE ARG 29 -7.015 14.010 0.018 210 1HH1 ARG 29 2HH1 ARG 29 -6.167 13.559 -3.348 211 2HH1 ARG 29 1HH1 ARG 29 -6.067 15.262 -3.687 212 1HH2 ARG 29 2HH2 ARG 29 -6.874 16.247 -0.413 213 2HH2 ARG 29 1HH2 ARG 29 -6.449 16.790 -2.011 214 H ARG 30 H ARG 30 -6.403 7.263 -1.614 215 HA ARG 30 HA ARG 30 -8.852 5.964 -2.500 216 1HB ARG 30 2HB ARG 30 -5.993 5.129 -2.215 217 2HB ARG 30 1HB ARG 30 -7.240 3.891 -2.200 218 1HG ARG 30 2HG ARG 30 -7.430 5.850 -4.386 219 2HG ARG 30 1HG ARG 30 -6.024 4.784 -4.427 220 1HD ARG 30 2HD ARG 30 -7.649 2.865 -4.093 221 2HD ARG 30 1HD ARG 30 -8.934 4.027 -4.421 222 HE ARG 30 HE ARG 30 -7.060 2.903 -6.323 223 1HH1 ARG 30 2HH1 ARG 30 -9.462 5.371 -5.676 224 2HH1 ARG 30 1HH1 ARG 30 -9.716 5.749 -7.352 225 1HH2 ARG 30 2HH2 ARG 30 -7.412 3.363 -8.532 226 2HH2 ARG 30 1HH2 ARG 30 -8.572 4.593 -8.981 227 H THR 31 H THR 31 -10.285 5.261 -1.080 228 HA THR 31 HA THR 31 -9.490 4.798 1.683 229 HB THR 31 HB THR 31 -12.264 4.181 1.000 230 HG1 THR 31 1HG THR 31 -11.342 6.863 0.593 231 1HG2 THR 31 1HG2 THR 31 -11.008 4.815 3.247 232 2HG2 THR 31 2HG2 THR 31 -12.702 5.232 2.984 233 3HG2 THR 31 3HG2 THR 31 -11.446 6.446 2.745 234 H SER 32 H SER 32 -10.073 3.125 -1.220 235 HA SER 32 HA SER 32 -9.621 0.581 0.166 236 1HB SER 32 2HB SER 32 -11.460 0.999 -2.209 237 2HB SER 32 1HB SER 32 -11.071 -0.554 -1.472 238 HG SER 32 HG SER 32 -12.415 1.624 -0.227 239 H CYS 33 H CYS 33 -8.753 -1.070 -1.409 240 HA CYS 33 HA CYS 33 -6.402 -0.145 -2.611 241 1HB CYS 33 2HB CYS 33 -7.136 -2.496 -1.747 242 2HB CYS 33 1HB CYS 33 -7.654 -2.731 -3.411 243 H ASP 34 H ASP 34 -5.695 -0.448 -4.761 244 HA ASP 34 HA ASP 34 -7.716 0.037 -6.831 245 1HB ASP 34 2HB ASP 34 -5.634 1.513 -6.577 246 2HB ASP 34 1HB ASP 34 -4.708 0.131 -7.151 247 H ARG 35 H ARG 35 -5.604 -2.322 -5.528 248 HA ARG 35 HA ARG 35 -5.363 -3.791 -8.038 249 1HB ARG 35 2HB ARG 35 -3.730 -3.472 -5.726 250 2HB ARG 35 1HB ARG 35 -4.128 -5.177 -5.880 251 1HG ARG 35 2HG ARG 35 -3.431 -4.209 -8.453 252 2HG ARG 35 1HG ARG 35 -2.198 -3.673 -7.307 253 1HD ARG 35 2HD ARG 35 -1.327 -5.717 -7.291 254 2HD ARG 35 1HD ARG 35 -2.858 -6.367 -6.698 255 HE ARG 35 HE ARG 35 -2.218 -6.038 -9.564 256 1HH1 ARG 35 2HH1 ARG 35 -3.567 -7.892 -6.911 257 2HH1 ARG 35 1HH1 ARG 35 -4.258 -9.109 -7.951 258 1HH2 ARG 35 2HH2 ARG 35 -3.123 -7.616 -10.923 259 2HH2 ARG 35 1HH2 ARG 35 -4.008 -8.944 -10.242 260 H CYS 36 H CYS 36 -6.292 -4.531 -4.659 261 HA CYS 36 HA CYS 36 -7.535 -6.975 -5.651 262 1HB CYS 36 2HB CYS 36 -7.648 -7.672 -3.315 263 2HB CYS 36 1HB CYS 36 -6.016 -7.161 -3.728 264 H GLY 37 H GLY 37 -8.376 -4.329 -3.439 265 1HA GLY 37 1HA GLY 37 -10.543 -3.177 -4.064 266 2HA GLY 37 2HA GLY 37 -11.214 -4.802 -4.105 267 H ARG 38 H ARG 38 -8.971 -4.874 -1.735 268 HA ARG 38 HA ARG 38 -10.865 -4.870 0.379 269 1HB ARG 38 2HB ARG 38 -7.966 -5.265 0.081 270 2HB ARG 38 1HB ARG 38 -8.443 -4.578 1.627 271 1HG ARG 38 2HG ARG 38 -8.745 -6.685 2.270 272 2HG ARG 38 1HG ARG 38 -10.235 -6.619 1.327 273 1HD ARG 38 2HD ARG 38 -9.433 -8.315 0.127 274 2HD ARG 38 1HD ARG 38 -8.267 -7.179 -0.548 275 HE ARG 38 HE ARG 38 -7.704 -8.802 1.858 276 1HH1 ARG 38 2HH1 ARG 38 -6.766 -7.437 -1.234 277 2HH1 ARG 38 1HH1 ARG 38 -5.184 -8.159 -1.215 278 1HH2 ARG 38 2HH2 ARG 38 -5.595 -9.708 1.910 279 2HH2 ARG 38 1HH2 ARG 38 -4.524 -9.438 0.569 280 H GLU 39 H GLU 39 -11.299 -3.338 1.936 281 HA GLU 39 HA GLU 39 -10.562 -0.609 1.257 282 1HB GLU 39 2HB GLU 39 -12.084 -0.159 3.337 283 2HB GLU 39 1HB GLU 39 -12.806 -0.658 1.816 284 1HG GLU 39 2HG GLU 39 -12.068 -2.794 3.721 285 2HG GLU 39 1HG GLU 39 -13.435 -1.765 4.144 286 H LYS 40 H LYS 40 -10.108 0.857 3.218 287 HA LYS 40 HA LYS 40 -7.678 -0.006 4.432 288 1HB LYS 40 2HB LYS 40 -8.841 2.417 3.820 289 2HB LYS 40 1HB LYS 40 -8.936 2.380 5.572 290 1HG LYS 40 2HG LYS 40 -6.766 2.791 5.784 291 2HG LYS 40 1HG LYS 40 -6.342 1.542 4.612 292 1HD LYS 40 2HD LYS 40 -5.938 3.079 3.060 293 2HD LYS 40 1HD LYS 40 -7.562 3.741 3.256 294 1HE LYS 40 2HE LYS 40 -6.641 4.955 5.296 295 2HE LYS 40 1HE LYS 40 -5.043 4.510 4.698 296 1HZ LYS 40 1HZ LYS 40 -6.876 6.522 3.740 297 2HZ LYS 40 2HZ LYS 40 -6.206 5.568 2.511 298 3HZ LYS 40 3HZ LYS 40 -5.190 6.415 3.566 299 H THR 41 H THR 41 -8.805 -1.926 5.431 300 HA THR 41 HA THR 41 -10.530 -1.425 7.674 301 HB THR 41 HB THR 41 -10.895 -3.400 6.294 302 HG1 THR 41 1HG THR 41 -11.232 -3.382 8.708 303 1HG2 THR 41 1HG2 THR 41 -9.240 -5.346 6.678 304 2HG2 THR 41 2HG2 THR 41 -8.094 -4.080 7.118 305 3HG2 THR 41 3HG2 THR 41 -8.817 -4.093 5.511 306 H THR 42 H THR 42 -7.122 -2.243 7.232 307 HA THR 42 HA THR 42 -6.715 -2.600 10.067 308 HB THR 42 HB THR 42 -4.329 -2.194 8.393 309 HG1 THR 42 1HG THR 42 -4.655 -4.165 7.256 310 1HG2 THR 42 1HG2 THR 42 -5.241 -4.509 10.108 311 2HG2 THR 42 2HG2 THR 42 -4.318 -3.128 10.694 312 3HG2 THR 42 3HG2 THR 42 -3.608 -4.223 9.509 313 H GLY 43 H GLY 43 -5.324 -0.350 7.665 314 1HA GLY 43 1HA GLY 43 -5.924 2.059 8.630 315 2HA GLY 43 2HA GLY 43 -4.703 1.539 9.784 316 HA PRO 44 HA PRO 44 -2.144 3.339 6.516 317 1HB PRO 44 2HB PRO 44 -0.244 4.344 8.105 318 2HB PRO 44 1HB PRO 44 -1.823 5.124 7.959 319 1HG PRO 44 2HG PRO 44 -0.758 3.389 10.141 320 2HG PRO 44 1HG PRO 44 -1.785 4.828 10.252 321 1HD PRO 44 2HD PRO 44 -2.682 2.197 10.383 322 2HD PRO 44 1HD PRO 44 -3.690 3.610 10.015 323 H ILE 45 H ILE 45 -1.835 0.695 8.463 324 HA ILE 45 HA ILE 45 0.669 -0.127 7.178 325 HB ILE 45 HB ILE 45 0.036 -0.756 10.071 326 1HG1 ILE 45 2HG1 ILE 45 2.386 0.912 9.595 327 1HG2 ILE 45 1HG2 ILE 45 2.529 -1.339 10.018 328 2HG2 ILE 45 2HG2 ILE 45 1.400 -2.450 9.240 329 3HG2 ILE 45 3HG2 ILE 45 2.353 -1.334 8.261 330 1HD1 ILE 45 1HD1 ILE 45 1.419 0.492 11.821 331 2HD1 ILE 45 2HD1 ILE 45 1.542 2.207 11.430 332 3HD1 ILE 45 3HD1 ILE 45 -0.018 1.390 11.333 Start of MODEL 18 1 1H GLY 1 1H GLY 1 9.900 -5.253 -25.967 2 2H GLY 1 2H GLY 1 8.278 -5.483 -25.534 3 3H GLY 1 3H GLY 1 9.515 -6.014 -24.503 4 1HA GLY 1 2HA GLY 1 9.956 -3.304 -24.960 5 2HA GLY 1 1HA GLY 1 8.249 -3.502 -24.589 6 H SER 2 H SER 2 11.412 -4.678 -23.459 7 HA SER 2 HA SER 2 10.420 -4.937 -20.753 8 1HB SER 2 2HB SER 2 13.188 -5.257 -20.703 9 2HB SER 2 1HB SER 2 11.992 -6.550 -20.841 10 HG SER 2 HG SER 2 13.766 -5.646 -22.674 11 H MET 3 H MET 3 11.560 -3.931 -18.949 12 HA MET 3 HA MET 3 12.630 -2.300 -17.786 13 1HB MET 3 2HB MET 3 13.578 -1.651 -20.519 14 2HB MET 3 1HB MET 3 13.647 -0.361 -19.329 15 1HG MET 3 2HG MET 3 15.495 -1.206 -18.472 16 2HG MET 3 1HG MET 3 14.679 -2.736 -18.153 17 1HE MET 3 1HE MET 3 17.859 -1.598 -20.860 18 2HE MET 3 2HE MET 3 16.453 -1.167 -21.836 19 3HE MET 3 3HE MET 3 16.626 -0.526 -20.198 20 H SER 4 H SER 4 10.460 -1.436 -20.388 21 HA SER 4 HA SER 4 9.778 1.131 -19.412 22 1HB SER 4 2HB SER 4 7.619 -0.112 -20.859 23 2HB SER 4 1HB SER 4 8.676 1.211 -21.356 24 HG SER 4 HG SER 4 9.198 -0.310 -22.785 25 H THR 5 H THR 5 9.043 1.361 -17.396 26 HA THR 5 HA THR 5 7.184 -0.545 -16.244 27 HB THR 5 HB THR 5 7.679 1.956 -14.774 28 HG1 THR 5 1HG THR 5 9.778 1.961 -15.024 29 1HG2 THR 5 1HG2 THR 5 8.405 0.133 -13.070 30 2HG2 THR 5 2HG2 THR 5 7.699 -0.990 -14.234 31 3HG2 THR 5 3HG2 THR 5 6.702 0.273 -13.510 32 H LYS 6 H LYS 6 5.130 -0.394 -16.928 33 HA LYS 6 HA LYS 6 3.974 2.215 -17.527 34 1HB LYS 6 2HB LYS 6 3.395 -0.559 -18.223 35 2HB LYS 6 1HB LYS 6 1.953 0.344 -17.780 36 1HG LYS 6 2HG LYS 6 2.083 0.670 -20.061 37 2HG LYS 6 1HG LYS 6 2.840 2.129 -19.416 38 1HD LYS 6 2HD LYS 6 4.808 1.638 -20.358 39 2HD LYS 6 1HD LYS 6 4.744 -0.036 -19.802 40 1HE LYS 6 2HE LYS 6 2.864 0.586 -21.954 41 2HE LYS 6 1HE LYS 6 4.558 0.778 -22.403 42 1HZ LYS 6 1HZ LYS 6 3.515 -1.663 -21.090 43 2HZ LYS 6 2HZ LYS 6 5.006 -1.456 -21.875 44 3HZ LYS 6 3HZ LYS 6 3.572 -1.484 -22.774 45 H ASN 7 H ASN 7 4.087 -0.067 -14.979 46 HA ASN 7 HA ASN 7 1.639 0.747 -13.700 47 1HB ASN 7 2HB ASN 7 3.861 -1.128 -13.081 48 2HB ASN 7 1HB ASN 7 2.991 -0.463 -11.704 49 1HD2 ASN 7 1HD2 ASN 7 0.453 -0.402 -12.344 50 2HD2 ASN 7 2HD2 ASN 7 -0.149 -1.953 -12.817 51 H PHE 8 H PHE 8 1.369 2.379 -12.311 52 HA PHE 8 HA PHE 8 3.424 4.283 -11.881 53 1HB PHE 8 2HB PHE 8 0.685 4.357 -11.794 54 2HB PHE 8 1HB PHE 8 1.100 4.425 -10.085 55 HD1 PHE 8 1HD PHE 8 0.601 6.315 -13.003 56 HD2 PHE 8 2HD PHE 8 2.964 6.161 -9.469 57 HE1 PHE 8 1HE PHE 8 1.105 8.710 -13.235 58 HE2 PHE 8 2HE PHE 8 3.465 8.556 -9.695 59 HZ PHE 8 HZ PHE 8 2.538 9.831 -11.582 60 H ARG 9 H ARG 9 5.080 3.646 -10.727 61 HA ARG 9 HA ARG 9 4.917 1.906 -8.474 62 1HB ARG 9 2HB ARG 9 7.011 3.198 -10.051 63 2HB ARG 9 1HB ARG 9 7.401 3.089 -8.340 64 1HG ARG 9 2HG ARG 9 6.339 0.592 -9.123 65 2HG ARG 9 1HG ARG 9 7.537 1.069 -10.330 66 1HD ARG 9 2HD ARG 9 9.210 0.639 -8.927 67 2HD ARG 9 1HD ARG 9 8.490 1.655 -7.679 68 HE ARG 9 HE ARG 9 7.362 -0.237 -6.821 69 1HH1 ARG 9 2HH1 ARG 9 9.671 -0.968 -9.355 70 2HH1 ARG 9 1HH1 ARG 9 9.697 -2.679 -9.025 71 1HH2 ARG 9 2HH2 ARG 9 7.407 -2.471 -6.349 72 2HH2 ARG 9 1HH2 ARG 9 8.392 -3.537 -7.313 73 H VAL 10 H VAL 10 3.342 3.190 -7.243 74 HA VAL 10 HA VAL 10 4.234 5.596 -5.950 75 HB VAL 10 HB VAL 10 2.050 3.848 -4.846 76 1HG1 VAL 10 1HG1 VAL 10 1.760 6.770 -5.102 77 2HG1 VAL 10 2HG1 VAL 10 1.356 5.702 -3.760 78 3HG1 VAL 10 3HG1 VAL 10 3.026 6.216 -4.007 79 1HG2 VAL 10 1HG2 VAL 10 2.130 4.819 -7.523 80 2HG2 VAL 10 2HG2 VAL 10 0.825 3.973 -6.693 81 3HG2 VAL 10 3HG2 VAL 10 0.913 5.733 -6.630 82 H SER 11 H SER 11 6.039 5.379 -4.750 83 HA SER 11 HA SER 11 6.701 3.079 -3.250 84 1HB SER 11 2HB SER 11 8.177 5.117 -2.144 85 2HB SER 11 1HB SER 11 8.652 4.164 -3.553 86 HG SER 11 HG SER 11 8.013 6.778 -3.401 87 H ASP 12 H ASP 12 6.501 6.215 -1.828 88 HA ASP 12 HA ASP 12 4.892 5.130 0.364 89 1HB ASP 12 2HB ASP 12 7.162 6.596 0.549 90 2HB ASP 12 1HB ASP 12 5.954 7.878 0.611 91 H GLY 13 H GLY 13 4.137 7.912 1.136 92 1HA GLY 13 1HA GLY 13 2.770 9.617 -0.107 93 2HA GLY 13 2HA GLY 13 1.965 8.235 -0.843 94 H ASP 14 H ASP 14 0.030 7.921 -0.011 95 HA ASP 14 HA ASP 14 -0.594 8.801 2.679 96 1HB ASP 14 2HB ASP 14 -2.113 8.970 0.606 97 2HB ASP 14 1HB ASP 14 -2.417 7.252 0.875 98 H TRP 15 H TRP 15 -1.060 5.836 0.856 99 HA TRP 15 HA TRP 15 -0.052 4.131 2.923 100 1HB TRP 15 2HB TRP 15 -2.100 2.945 3.396 101 2HB TRP 15 1HB TRP 15 -2.417 4.654 3.681 102 HD1 TRP 15 HD TRP 15 -3.545 5.911 1.310 103 HE1 TRP 15 1HE TRP 15 -5.515 4.997 -0.079 104 HE3 TRP 15 3HE TRP 15 -3.339 0.995 2.721 105 HZ2 TRP 15 2HZ TRP 15 -6.811 2.524 -0.512 106 HZ3 TRP 15 3HZ TRP 15 -4.976 -0.575 1.775 107 HH2 TRP 15 HH TRP 15 -6.674 0.166 0.182 108 H ILE 16 H ILE 16 -0.061 1.856 2.111 109 HA ILE 16 HA ILE 16 -0.189 1.877 -0.818 110 HB ILE 16 HB ILE 16 1.287 -0.229 -0.566 111 1HG1 ILE 16 2HG1 ILE 16 2.643 0.867 1.730 112 1HG2 ILE 16 1HG2 ILE 16 3.234 1.605 -0.040 113 2HG2 ILE 16 2HG2 ILE 16 2.453 1.384 -1.606 114 3HG2 ILE 16 3HG2 ILE 16 1.877 2.638 -0.505 115 1HD1 ILE 16 1HD1 ILE 16 2.385 -1.596 0.612 116 2HD1 ILE 16 2HD1 ILE 16 3.077 -1.265 2.199 117 3HD1 ILE 16 3HD1 ILE 16 1.385 -1.743 2.056 118 H CYS 17 H CYS 17 -0.273 -0.798 1.532 119 HA CYS 17 HA CYS 17 -3.012 -1.371 0.779 120 1HB CYS 17 2HB CYS 17 -0.677 -3.029 -0.005 121 2HB CYS 17 1HB CYS 17 -2.081 -3.893 0.604 122 HA PRO 18 HA PRO 18 -3.350 -2.334 5.010 123 1HB PRO 18 2HB PRO 18 -5.243 -4.506 4.421 124 2HB PRO 18 1HB PRO 18 -5.514 -2.972 5.252 125 1HG PRO 18 2HG PRO 18 -6.489 -3.423 2.796 126 2HG PRO 18 1HG PRO 18 -5.903 -1.822 3.288 127 1HD PRO 18 2HD PRO 18 -4.517 -3.917 1.643 128 2HD PRO 18 1HD PRO 18 -4.611 -2.163 1.382 129 H ASP 19 H ASP 19 -2.732 -5.073 2.886 130 HA ASP 19 HA ASP 19 -1.608 -6.521 5.195 131 1HB ASP 19 2HB ASP 19 -3.912 -7.279 4.050 132 2HB ASP 19 1HB ASP 19 -2.786 -8.113 2.985 133 H LYS 20 H LYS 20 -0.485 -8.638 4.131 134 HA LYS 20 HA LYS 20 1.615 -7.534 2.418 135 1HB LYS 20 2HB LYS 20 1.512 -9.477 4.533 136 2HB LYS 20 1HB LYS 20 2.167 -10.233 3.086 137 1HG LYS 20 2HG LYS 20 3.192 -7.681 4.308 138 2HG LYS 20 1HG LYS 20 3.902 -9.278 4.545 139 1HD LYS 20 2HD LYS 20 3.560 -8.790 1.744 140 2HD LYS 20 1HD LYS 20 4.419 -7.433 2.478 141 1HE LYS 20 2HE LYS 20 6.099 -8.942 1.846 142 2HE LYS 20 1HE LYS 20 5.906 -9.179 3.582 143 1HZ LYS 20 1HZ LYS 20 5.848 -11.126 1.690 144 2HZ LYS 20 2HZ LYS 20 4.205 -10.885 2.027 145 3HZ LYS 20 3HZ LYS 20 5.275 -11.278 3.281 146 H LYS 21 H LYS 21 -0.935 -9.912 2.453 147 HA LYS 21 HA LYS 21 -0.314 -11.084 -0.088 148 1HB LYS 21 2HB LYS 21 -2.692 -11.926 0.048 149 2HB LYS 21 1HB LYS 21 -1.665 -12.379 1.401 150 1HG LYS 21 2HG LYS 21 -3.275 -11.617 2.727 151 2HG LYS 21 1HG LYS 21 -2.813 -9.994 2.207 152 1HD LYS 21 2HD LYS 21 -4.387 -10.489 0.192 153 2HD LYS 21 1HD LYS 21 -5.060 -11.723 1.260 154 1HE LYS 21 2HE LYS 21 -4.692 -8.967 2.323 155 2HE LYS 21 1HE LYS 21 -6.023 -9.267 1.205 156 1HZ LYS 21 1HZ LYS 21 -5.549 -10.504 3.852 157 2HZ LYS 21 2HZ LYS 21 -6.626 -11.168 2.729 158 3HZ LYS 21 3HZ LYS 21 -6.893 -9.607 3.337 159 H CYS 22 H CYS 22 -1.290 -8.103 0.806 160 HA CYS 22 HA CYS 22 -2.957 -7.471 -1.479 161 1HB CYS 22 2HB CYS 22 -2.332 -6.347 1.115 162 2HB CYS 22 1HB CYS 22 -2.068 -5.152 -0.150 163 H GLY 23 H GLY 23 -0.416 -5.452 -0.234 164 1HA GLY 23 1HA GLY 23 1.601 -4.719 -1.018 165 2HA GLY 23 2HA GLY 23 1.694 -6.210 -1.936 166 H ASN 24 H ASN 24 -0.878 -3.863 -2.402 167 HA ASN 24 HA ASN 24 0.047 -3.513 -5.146 168 1HB ASN 24 2HB ASN 24 -2.271 -4.097 -4.924 169 2HB ASN 24 1HB ASN 24 -2.540 -2.824 -3.745 170 1HD2 ASN 24 1HD2 ASN 24 -3.261 -0.938 -4.431 171 2HD2 ASN 24 2HD2 ASN 24 -3.324 -0.422 -6.082 172 H VAL 25 H VAL 25 0.105 -1.388 -6.105 173 HA VAL 25 HA VAL 25 1.138 0.611 -4.264 174 HB VAL 25 HB VAL 25 1.518 1.837 -6.563 175 1HG1 VAL 25 1HG1 VAL 25 3.199 -0.588 -6.007 176 2HG1 VAL 25 2HG1 VAL 25 3.705 0.985 -6.622 177 3HG1 VAL 25 3HG1 VAL 25 3.203 0.815 -4.939 178 1HG2 VAL 25 1HG2 VAL 25 1.596 0.532 -8.476 179 2HG2 VAL 25 2HG2 VAL 25 1.649 -0.977 -7.565 180 3HG2 VAL 25 3HG2 VAL 25 0.145 -0.066 -7.672 181 H ASN 26 H ASN 26 -0.660 1.482 -3.272 182 HA ASN 26 HA ASN 26 -2.794 2.517 -4.974 183 1HB ASN 26 2HB ASN 26 -2.537 2.041 -2.029 184 2HB ASN 26 1HB ASN 26 -3.714 3.209 -2.614 185 1HD2 ASN 26 1HD2 ASN 26 -3.245 0.035 -1.821 186 2HD2 ASN 26 2HD2 ASN 26 -4.578 -0.658 -2.685 187 H PHE 27 H PHE 27 -3.641 4.718 -4.391 188 HA PHE 27 HA PHE 27 -1.435 6.521 -4.843 189 1HB PHE 27 2HB PHE 27 -3.404 6.611 -6.288 190 2HB PHE 27 1HB PHE 27 -4.433 6.953 -4.904 191 HD1 PHE 27 1HD PHE 27 -5.300 9.034 -5.259 192 HD2 PHE 27 2HD PHE 27 -1.135 8.405 -5.870 193 HE1 PHE 27 1HE PHE 27 -4.993 11.451 -5.615 194 HE2 PHE 27 2HE PHE 27 -0.817 10.819 -6.228 195 HZ PHE 27 HZ PHE 27 -2.747 12.347 -6.100 196 H ALA 28 H ALA 28 -4.336 7.527 -3.143 197 HA ALA 28 HA ALA 28 -3.075 7.973 -0.618 198 1HB ALA 28 1HB ALA 28 -2.550 10.210 -0.701 199 2HB ALA 28 2HB ALA 28 -2.080 9.695 -2.321 200 3HB ALA 28 3HB ALA 28 -3.617 10.527 -2.071 201 H ARG 29 H ARG 29 -5.399 9.719 -2.703 202 HA ARG 29 HA ARG 29 -7.358 9.764 -0.596 203 1HB ARG 29 2HB ARG 29 -8.763 10.969 -2.184 204 2HB ARG 29 1HB ARG 29 -7.147 11.658 -2.140 205 1HG ARG 29 2HG ARG 29 -6.583 10.657 -4.232 206 2HG ARG 29 1HG ARG 29 -8.076 9.715 -4.244 207 1HD ARG 29 2HD ARG 29 -8.023 12.725 -4.225 208 2HD ARG 29 1HD ARG 29 -8.056 11.771 -5.709 209 HE ARG 29 HE ARG 29 -10.219 10.947 -5.058 210 1HH1 ARG 29 2HH1 ARG 29 -9.014 13.609 -3.137 211 2HH1 ARG 29 1HH1 ARG 29 -10.592 14.091 -2.585 212 1HH2 ARG 29 2HH2 ARG 29 -12.288 11.570 -4.357 213 2HH2 ARG 29 1HH2 ARG 29 -12.462 12.926 -3.279 214 H ARG 30 H ARG 30 -6.395 7.209 -1.867 215 HA ARG 30 HA ARG 30 -8.870 6.096 -2.919 216 1HB ARG 30 2HB ARG 30 -6.082 4.992 -2.544 217 2HB ARG 30 1HB ARG 30 -7.444 3.957 -2.952 218 1HG ARG 30 2HG ARG 30 -7.740 5.763 -4.877 219 2HG ARG 30 1HG ARG 30 -6.006 5.940 -4.601 220 1HD ARG 30 2HD ARG 30 -6.111 4.286 -6.230 221 2HD ARG 30 1HD ARG 30 -5.931 3.373 -4.735 222 HE ARG 30 HE ARG 30 -8.307 2.878 -4.849 223 1HH1 ARG 30 2HH1 ARG 30 -6.854 4.222 -7.734 224 2HH1 ARG 30 1HH1 ARG 30 -8.008 3.494 -8.812 225 1HH2 ARG 30 2HH2 ARG 30 -9.834 1.913 -6.262 226 2HH2 ARG 30 1HH2 ARG 30 -9.684 2.158 -7.979 227 H THR 31 H THR 31 -10.360 5.508 -1.455 228 HA THR 31 HA THR 31 -9.545 4.769 1.227 229 HB THR 31 HB THR 31 -12.329 4.338 0.841 230 HG1 THR 31 1HG THR 31 -12.953 6.291 -0.107 231 1HG2 THR 31 1HG2 THR 31 -12.456 5.636 2.686 232 2HG2 THR 31 2HG2 THR 31 -11.447 6.901 1.986 233 3HG2 THR 31 3HG2 THR 31 -10.701 5.469 2.696 234 H SER 32 H SER 32 -9.708 3.203 -1.627 235 HA SER 32 HA SER 32 -9.827 0.620 -0.301 236 1HB SER 32 2HB SER 32 -11.327 1.005 -2.886 237 2HB SER 32 1HB SER 32 -11.446 -0.323 -1.732 238 HG SER 32 HG SER 32 -12.211 1.481 -0.252 239 H CYS 33 H CYS 33 -8.746 -1.039 -1.469 240 HA CYS 33 HA CYS 33 -6.416 -0.295 -2.800 241 1HB CYS 33 2HB CYS 33 -7.924 -2.888 -2.736 242 2HB CYS 33 1HB CYS 33 -6.332 -2.733 -3.450 243 H ASP 34 H ASP 34 -5.816 -0.192 -4.904 244 HA ASP 34 HA ASP 34 -7.802 0.194 -6.918 245 1HB ASP 34 2HB ASP 34 -5.794 1.503 -7.040 246 2HB ASP 34 1HB ASP 34 -4.784 0.061 -7.012 247 H ARG 35 H ARG 35 -5.607 -2.412 -6.055 248 HA ARG 35 HA ARG 35 -6.433 -3.933 -8.424 249 1HB ARG 35 2HB ARG 35 -3.970 -3.671 -6.980 250 2HB ARG 35 1HB ARG 35 -4.479 -5.351 -6.946 251 1HG ARG 35 2HG ARG 35 -4.219 -3.706 -9.449 252 2HG ARG 35 1HG ARG 35 -2.981 -4.802 -8.830 253 1HD ARG 35 2HD ARG 35 -5.753 -5.820 -9.252 254 2HD ARG 35 1HD ARG 35 -4.702 -5.598 -10.649 255 HE ARG 35 HE ARG 35 -3.097 -7.055 -9.209 256 1HH1 ARG 35 2HH1 ARG 35 -6.584 -7.404 -9.440 257 2HH1 ARG 35 1HH1 ARG 35 -6.548 -9.116 -9.145 258 1HH2 ARG 35 2HH2 ARG 35 -3.064 -9.304 -8.848 259 2HH2 ARG 35 1HH2 ARG 35 -4.559 -10.193 -8.816 260 H CYS 36 H CYS 36 -5.876 -4.454 -4.941 261 HA CYS 36 HA CYS 36 -7.131 -7.017 -4.979 262 1HB CYS 36 2HB CYS 36 -6.739 -5.910 -2.373 263 2HB CYS 36 1HB CYS 36 -5.814 -7.176 -3.190 264 H GLY 37 H GLY 37 -8.215 -3.790 -4.372 265 1HA GLY 37 1HA GLY 37 -10.361 -2.985 -4.158 266 2HA GLY 37 2HA GLY 37 -10.941 -4.630 -4.361 267 H ARG 38 H ARG 38 -8.654 -4.102 -1.839 268 HA ARG 38 HA ARG 38 -10.598 -4.793 0.159 269 1HB ARG 38 2HB ARG 38 -7.737 -3.909 0.572 270 2HB ARG 38 1HB ARG 38 -8.749 -4.789 1.711 271 1HG ARG 38 2HG ARG 38 -8.043 -5.917 -0.977 272 2HG ARG 38 1HG ARG 38 -6.995 -6.112 0.430 273 1HD ARG 38 2HD ARG 38 -8.229 -7.992 0.696 274 2HD ARG 38 1HD ARG 38 -9.309 -6.870 1.524 275 HE ARG 38 HE ARG 38 -9.663 -7.613 -1.313 276 1HH1 ARG 38 2HH1 ARG 38 -10.950 -7.068 1.899 277 2HH1 ARG 38 1HH1 ARG 38 -12.592 -7.408 1.442 278 1HH2 ARG 38 2HH2 ARG 38 -11.818 -8.088 -1.918 279 2HH2 ARG 38 1HH2 ARG 38 -13.085 -8.023 -0.719 280 H GLU 39 H GLU 39 -10.289 -3.413 2.336 281 HA GLU 39 HA GLU 39 -11.030 -0.680 1.572 282 1HB GLU 39 2HB GLU 39 -11.993 -0.660 3.950 283 2HB GLU 39 1HB GLU 39 -12.816 -1.637 2.744 284 1HG GLU 39 2HG GLU 39 -10.737 -2.964 4.386 285 2HG GLU 39 1HG GLU 39 -12.252 -2.529 5.177 286 H LYS 40 H LYS 40 -10.237 1.113 2.742 287 HA LYS 40 HA LYS 40 -7.538 0.923 3.598 288 1HB LYS 40 2HB LYS 40 -8.629 2.942 2.555 289 2HB LYS 40 1HB LYS 40 -9.452 3.208 4.087 290 1HG LYS 40 2HG LYS 40 -7.525 3.838 5.171 291 2HG LYS 40 1HG LYS 40 -6.480 2.976 4.039 292 1HD LYS 40 2HD LYS 40 -6.552 4.658 2.481 293 2HD LYS 40 1HD LYS 40 -8.137 5.224 3.015 294 1HE LYS 40 2HE LYS 40 -7.181 6.234 4.971 295 2HE LYS 40 1HE LYS 40 -5.596 5.550 4.604 296 1HZ LYS 40 1HZ LYS 40 -6.611 7.993 3.796 297 2HZ LYS 40 2HZ LYS 40 -6.559 7.036 2.402 298 3HZ LYS 40 3HZ LYS 40 -5.146 7.280 3.313 299 H THR 41 H THR 41 -7.489 -0.559 5.285 300 HA THR 41 HA THR 41 -8.837 0.214 7.765 301 HB THR 41 HB THR 41 -8.935 -2.178 6.768 302 HG1 THR 41 1HG THR 41 -9.716 -2.431 8.700 303 1HG2 THR 41 1HG2 THR 41 -7.013 -3.273 6.511 304 2HG2 THR 41 2HG2 THR 41 -6.792 -3.228 8.261 305 3HG2 THR 41 3HG2 THR 41 -6.120 -1.945 7.256 306 H THR 42 H THR 42 -7.337 -0.559 9.746 307 HA THR 42 HA THR 42 -5.505 -0.196 11.039 308 HB THR 42 HB THR 42 -3.933 0.599 8.588 309 HG1 THR 42 1HG THR 42 -5.077 -1.722 8.991 310 1HG2 THR 42 1HG2 THR 42 -2.573 1.098 10.373 311 2HG2 THR 42 2HG2 THR 42 -2.154 -0.597 10.131 312 3HG2 THR 42 3HG2 THR 42 -3.285 -0.142 11.404 313 H GLY 43 H GLY 43 -5.795 2.205 8.422 314 1HA GLY 43 1HA GLY 43 -5.973 4.273 10.519 315 2HA GLY 43 2HA GLY 43 -4.946 4.523 9.112 316 HA PRO 44 HA PRO 44 -9.442 4.626 7.470 317 1HB PRO 44 2HB PRO 44 -11.320 4.551 9.632 318 2HB PRO 44 1HB PRO 44 -11.049 3.329 8.389 319 1HG PRO 44 2HG PRO 44 -10.485 2.996 11.068 320 2HG PRO 44 1HG PRO 44 -9.737 2.066 9.758 321 1HD PRO 44 2HD PRO 44 -8.668 4.417 11.271 322 2HD PRO 44 1HD PRO 44 -7.821 2.961 10.700 323 H ILE 45 H ILE 45 -8.866 6.793 7.088 324 HA ILE 45 HA ILE 45 -10.522 8.694 8.566 325 HB ILE 45 HB ILE 45 -8.398 10.282 7.928 326 1HG1 ILE 45 2HG1 ILE 45 -6.826 8.345 9.392 327 1HG2 ILE 45 1HG2 ILE 45 -8.027 9.302 10.588 328 2HG2 ILE 45 2HG2 ILE 45 -8.724 10.831 10.047 329 3HG2 ILE 45 3HG2 ILE 45 -9.749 9.406 10.223 330 1HD1 ILE 45 1HD1 ILE 45 -6.227 9.337 6.638 331 2HD1 ILE 45 2HD1 ILE 45 -6.073 10.386 8.048 332 3HD1 ILE 45 3HD1 ILE 45 -5.112 8.912 7.935 Start of MODEL 19 1 1H GLY 1 1H GLY 1 20.078 -5.341 8.868 2 2H GLY 1 2H GLY 1 20.452 -6.704 7.932 3 3H GLY 1 3H GLY 1 20.753 -6.718 9.598 4 1HA GLY 1 2HA GLY 1 18.818 -7.832 9.675 5 2HA GLY 1 1HA GLY 1 18.168 -6.198 9.659 6 H SER 2 H SER 2 16.459 -7.980 8.806 7 HA SER 2 HA SER 2 16.671 -8.473 5.970 8 1HB SER 2 2HB SER 2 14.065 -8.737 7.408 9 2HB SER 2 1HB SER 2 14.815 -9.815 6.230 10 HG SER 2 HG SER 2 15.425 -9.524 8.987 11 H MET 3 H MET 3 17.023 -5.864 6.194 12 HA MET 3 HA MET 3 14.499 -4.445 5.998 13 1HB MET 3 2HB MET 3 16.486 -3.491 7.198 14 2HB MET 3 1HB MET 3 17.302 -3.362 5.645 15 1HG MET 3 2HG MET 3 16.448 -1.229 6.076 16 2HG MET 3 1HG MET 3 15.351 -1.936 4.893 17 1HE MET 3 1HE MET 3 13.460 0.034 5.604 18 2HE MET 3 2HE MET 3 13.055 -1.573 5.001 19 3HE MET 3 3HE MET 3 12.164 -0.890 6.362 20 H SER 4 H SER 4 13.865 -5.699 4.084 21 HA SER 4 HA SER 4 15.109 -5.084 1.581 22 1HB SER 4 2HB SER 4 12.254 -5.852 1.589 23 2HB SER 4 1HB SER 4 13.613 -6.563 0.718 24 HG SER 4 HG SER 4 12.436 -7.511 2.867 25 H THR 5 H THR 5 15.304 -2.838 1.623 26 HA THR 5 HA THR 5 13.143 -1.089 2.194 27 HB THR 5 HB THR 5 15.130 0.246 0.656 28 HG1 THR 5 1HG THR 5 16.680 -1.234 0.939 29 1HG2 THR 5 1HG2 THR 5 15.714 1.182 2.938 30 2HG2 THR 5 2HG2 THR 5 14.492 0.096 3.599 31 3HG2 THR 5 3HG2 THR 5 14.028 1.350 2.449 32 H LYS 6 H LYS 6 11.442 -0.757 0.897 33 HA LYS 6 HA LYS 6 11.718 -0.906 -1.983 34 1HB LYS 6 2HB LYS 6 9.563 -1.159 -0.208 35 2HB LYS 6 1HB LYS 6 9.261 0.343 -1.069 36 1HG LYS 6 2HG LYS 6 9.919 -1.240 -3.138 37 2HG LYS 6 1HG LYS 6 9.228 -2.437 -2.041 38 1HD LYS 6 2HD LYS 6 7.167 -1.751 -2.507 39 2HD LYS 6 1HD LYS 6 7.583 -0.084 -2.106 40 1HE LYS 6 2HE LYS 6 6.741 -0.612 -4.483 41 2HE LYS 6 1HE LYS 6 8.144 0.435 -4.300 42 1HZ LYS 6 1HZ LYS 6 8.113 -2.426 -5.097 43 2HZ LYS 6 2HZ LYS 6 9.531 -1.604 -4.660 44 3HZ LYS 6 3HZ LYS 6 8.642 -1.096 -6.008 45 H ASN 7 H ASN 7 12.927 0.682 -2.792 46 HA ASN 7 HA ASN 7 13.099 3.252 -1.546 47 1HB ASN 7 2HB ASN 7 14.767 3.757 -3.232 48 2HB ASN 7 1HB ASN 7 15.049 2.145 -2.586 49 1HD2 ASN 7 1HD2 ASN 7 15.442 3.693 -5.256 50 2HD2 ASN 7 2HD2 ASN 7 14.980 2.511 -6.439 51 H PHE 8 H PHE 8 10.651 2.161 -3.229 52 HA PHE 8 HA PHE 8 10.218 4.261 -5.119 53 1HB PHE 8 2HB PHE 8 9.094 1.834 -4.803 54 2HB PHE 8 1HB PHE 8 7.903 2.807 -3.948 55 HD1 PHE 8 1HD PHE 8 9.886 3.177 -7.093 56 HD2 PHE 8 2HD PHE 8 6.066 3.306 -5.210 57 HE1 PHE 8 1HE PHE 8 8.855 3.793 -9.237 58 HE2 PHE 8 2HE PHE 8 5.027 3.924 -7.359 59 HZ PHE 8 HZ PHE 8 6.424 4.166 -9.373 60 H ARG 9 H ARG 9 10.475 6.189 -4.095 61 HA ARG 9 HA ARG 9 9.347 6.818 -1.569 62 1HB ARG 9 2HB ARG 9 10.717 8.378 -3.730 63 2HB ARG 9 1HB ARG 9 9.910 9.232 -2.420 64 1HG ARG 9 2HG ARG 9 11.449 8.618 -0.883 65 2HG ARG 9 1HG ARG 9 11.735 7.049 -1.637 66 1HD ARG 9 2HD ARG 9 12.588 9.179 -3.370 67 2HD ARG 9 1HD ARG 9 13.347 9.335 -1.787 68 HE ARG 9 HE ARG 9 13.899 7.364 -3.786 69 1HH1 ARG 9 2HH1 ARG 9 13.866 7.910 -0.319 70 2HH1 ARG 9 1HH1 ARG 9 15.058 6.691 0.016 71 1HH2 ARG 9 2HH2 ARG 9 15.510 5.780 -3.338 72 2HH2 ARG 9 1HH2 ARG 9 15.984 5.498 -1.689 73 H VAL 10 H VAL 10 7.201 6.719 -1.386 74 HA VAL 10 HA VAL 10 5.504 7.981 -3.389 75 HB VAL 10 HB VAL 10 3.765 7.109 -1.494 76 1HG1 VAL 10 1HG1 VAL 10 3.797 4.925 -2.980 77 2HG1 VAL 10 2HG1 VAL 10 3.251 6.471 -3.629 78 3HG1 VAL 10 3HG1 VAL 10 4.884 5.898 -3.969 79 1HG2 VAL 10 1HG2 VAL 10 5.434 6.128 -0.070 80 2HG2 VAL 10 2HG2 VAL 10 4.505 4.834 -0.829 81 3HG2 VAL 10 3HG2 VAL 10 6.117 5.226 -1.423 82 H SER 11 H SER 11 3.586 9.227 -2.435 83 HA SER 11 HA SER 11 4.602 11.505 -1.101 84 1HB SER 11 2HB SER 11 1.671 11.112 -1.200 85 2HB SER 11 1HB SER 11 2.647 12.486 -1.723 86 HG SER 11 HG SER 11 1.817 10.247 -3.136 87 H ASP 12 H ASP 12 3.360 12.465 0.830 88 HA ASP 12 HA ASP 12 3.936 10.773 3.037 89 1HB ASP 12 2HB ASP 12 3.943 13.398 2.822 90 2HB ASP 12 1HB ASP 12 2.278 13.235 3.371 91 H GLY 13 H GLY 13 0.880 11.985 1.684 92 1HA GLY 13 1HA GLY 13 -0.692 10.521 3.601 93 2HA GLY 13 2HA GLY 13 -1.303 11.417 2.221 94 H ASP 14 H ASP 14 0.827 9.723 0.696 95 HA ASP 14 HA ASP 14 -1.066 7.826 -0.290 96 1HB ASP 14 2HB ASP 14 1.722 8.605 -0.964 97 2HB ASP 14 1HB ASP 14 1.226 6.979 -1.424 98 H TRP 15 H TRP 15 -0.999 5.573 -0.135 99 HA TRP 15 HA TRP 15 0.549 4.561 2.147 100 1HB TRP 15 2HB TRP 15 -1.486 3.387 2.950 101 2HB TRP 15 1HB TRP 15 -1.682 5.136 2.973 102 HD1 TRP 15 HD TRP 15 -3.028 6.115 0.646 103 HE1 TRP 15 1HE TRP 15 -5.109 5.121 -0.497 104 HE3 TRP 15 3HE TRP 15 -2.785 1.384 2.550 105 HZ2 TRP 15 2HZ TRP 15 -6.477 2.636 -0.559 106 HZ3 TRP 15 3HZ TRP 15 -4.505 -0.245 1.908 107 HH2 TRP 15 HH TRP 15 -6.313 0.363 0.368 108 H ILE 16 H ILE 16 0.599 2.183 2.253 109 HA ILE 16 HA ILE 16 0.211 0.928 -0.369 110 HB ILE 16 HB ILE 16 1.776 -0.787 0.319 111 1HG1 ILE 16 2HG1 ILE 16 2.967 0.352 2.641 112 1HG2 ILE 16 1HG2 ILE 16 2.528 2.040 0.222 113 2HG2 ILE 16 2HG2 ILE 16 3.758 0.967 0.893 114 3HG2 ILE 16 3HG2 ILE 16 3.118 0.672 -0.722 115 1HD1 ILE 16 1HD1 ILE 16 3.301 -1.863 2.693 116 2HD1 ILE 16 2HD1 ILE 16 1.771 -1.881 3.570 117 3HD1 ILE 16 3HD1 ILE 16 1.799 -2.218 1.837 118 H CYS 17 H CYS 17 -0.634 -1.253 -0.344 119 HA CYS 17 HA CYS 17 -3.080 -1.477 0.781 120 1HB CYS 17 2HB CYS 17 -1.144 -3.511 -0.230 121 2HB CYS 17 1HB CYS 17 -2.694 -4.017 0.431 122 HA PRO 18 HA PRO 18 -2.760 -2.284 5.018 123 1HB PRO 18 2HB PRO 18 -5.136 -4.001 4.890 124 2HB PRO 18 1HB PRO 18 -4.929 -2.429 5.669 125 1HG PRO 18 2HG PRO 18 -6.415 -2.715 3.456 126 2HG PRO 18 1HG PRO 18 -5.434 -1.264 3.745 127 1HD PRO 18 2HD PRO 18 -4.830 -3.630 2.002 128 2HD PRO 18 1HD PRO 18 -4.618 -1.899 1.664 129 H ASP 19 H ASP 19 -2.801 -4.973 2.851 130 HA ASP 19 HA ASP 19 -1.940 -6.753 5.036 131 1HB ASP 19 2HB ASP 19 -4.281 -7.130 3.927 132 2HB ASP 19 1HB ASP 19 -3.337 -7.829 2.614 133 H LYS 20 H LYS 20 -0.819 -8.751 4.132 134 HA LYS 20 HA LYS 20 1.304 -7.859 2.347 135 1HB LYS 20 2HB LYS 20 0.961 -10.338 4.041 136 2HB LYS 20 1HB LYS 20 2.334 -10.076 2.975 137 1HG LYS 20 2HG LYS 20 3.337 -9.113 4.707 138 2HG LYS 20 1HG LYS 20 2.222 -7.763 4.486 139 1HD LYS 20 2HD LYS 20 0.910 -9.854 5.926 140 2HD LYS 20 1HD LYS 20 2.452 -9.491 6.702 141 1HE LYS 20 2HE LYS 20 1.871 -7.202 6.973 142 2HE LYS 20 1HE LYS 20 0.458 -7.368 5.931 143 1HZ LYS 20 1HZ LYS 20 0.400 -7.482 8.612 144 2HZ LYS 20 2HZ LYS 20 0.479 -9.128 8.221 145 3HZ LYS 20 3HZ LYS 20 -0.775 -8.169 7.602 146 H LYS 21 H LYS 21 -1.467 -9.938 2.456 147 HA LYS 21 HA LYS 21 -0.927 -11.239 -0.063 148 1HB LYS 21 2HB LYS 21 -3.374 -11.025 1.692 149 2HB LYS 21 1HB LYS 21 -3.421 -11.818 0.123 150 1HG LYS 21 2HG LYS 21 -2.422 -13.659 0.896 151 2HG LYS 21 1HG LYS 21 -1.246 -12.737 1.837 152 1HD LYS 21 2HD LYS 21 -3.114 -12.282 3.478 153 2HD LYS 21 1HD LYS 21 -4.057 -13.489 2.601 154 1HE LYS 21 2HE LYS 21 -1.589 -14.697 3.059 155 2HE LYS 21 1HE LYS 21 -1.966 -13.851 4.559 156 1HZ LYS 21 1HZ LYS 21 -3.764 -15.767 3.165 157 2HZ LYS 21 2HZ LYS 21 -4.107 -14.963 4.617 158 3HZ LYS 21 3HZ LYS 21 -2.851 -16.102 4.556 159 H CYS 22 H CYS 22 -1.937 -8.215 0.946 160 HA CYS 22 HA CYS 22 -3.340 -7.473 -1.480 161 1HB CYS 22 2HB CYS 22 -3.032 -6.469 1.202 162 2HB CYS 22 1HB CYS 22 -2.533 -5.229 0.061 163 H GLY 23 H GLY 23 -0.869 -5.572 0.107 164 1HA GLY 23 1HA GLY 23 1.206 -4.818 -0.483 165 2HA GLY 23 2HA GLY 23 1.380 -6.313 -1.382 166 H ASN 24 H ASN 24 -1.024 -3.815 -2.099 167 HA ASN 24 HA ASN 24 0.372 -3.301 -4.626 168 1HB ASN 24 2HB ASN 24 -1.849 -4.032 -5.002 169 2HB ASN 24 1HB ASN 24 -2.497 -3.020 -3.728 170 1HD2 ASN 24 1HD2 ASN 24 -3.069 -0.976 -4.136 171 2HD2 ASN 24 2HD2 ASN 24 -2.983 -0.233 -5.698 172 H VAL 25 H VAL 25 0.456 -1.069 -5.391 173 HA VAL 25 HA VAL 25 0.833 0.843 -3.217 174 HB VAL 25 HB VAL 25 1.603 2.311 -5.257 175 1HG1 VAL 25 1HG1 VAL 25 3.878 1.372 -5.029 176 2HG1 VAL 25 2HG1 VAL 25 3.069 1.597 -3.477 177 3HG1 VAL 25 3HG1 VAL 25 3.191 -0.014 -4.182 178 1HG2 VAL 25 1HG2 VAL 25 2.022 -0.460 -6.378 179 2HG2 VAL 25 2HG2 VAL 25 0.793 0.671 -6.947 180 3HG2 VAL 25 3HG2 VAL 25 2.505 1.070 -7.111 181 H ASN 26 H ASN 26 -0.746 2.219 -2.701 182 HA ASN 26 HA ASN 26 -2.916 2.578 -4.660 183 1HB ASN 26 2HB ASN 26 -3.613 3.029 -1.845 184 2HB ASN 26 1HB ASN 26 -4.466 2.117 -3.083 185 1HD2 ASN 26 1HD2 ASN 26 -4.631 0.031 -2.680 186 2HD2 ASN 26 2HD2 ASN 26 -3.527 -0.928 -1.751 187 H PHE 27 H PHE 27 -4.338 4.504 -3.984 188 HA PHE 27 HA PHE 27 -2.594 6.839 -3.791 189 1HB PHE 27 2HB PHE 27 -4.551 6.201 -5.614 190 2HB PHE 27 1HB PHE 27 -5.415 7.248 -4.494 191 HD1 PHE 27 1HD PHE 27 -2.077 7.185 -6.174 192 HD2 PHE 27 2HD PHE 27 -5.507 9.444 -5.070 193 HE1 PHE 27 1HE PHE 27 -1.129 9.165 -7.291 194 HE2 PHE 27 2HE PHE 27 -4.569 11.427 -6.185 195 HZ PHE 27 HZ PHE 27 -2.376 11.288 -7.299 196 H ALA 28 H ALA 28 -2.820 8.262 -2.184 197 HA ALA 28 HA ALA 28 -4.044 7.871 0.226 198 1HB ALA 28 1HB ALA 28 -2.403 9.681 -0.403 199 2HB ALA 28 2HB ALA 28 -3.782 10.600 -1.012 200 3HB ALA 28 3HB ALA 28 -3.696 10.164 0.695 201 H ARG 29 H ARG 29 -5.455 9.315 -2.654 202 HA ARG 29 HA ARG 29 -7.920 9.999 -1.305 203 1HB ARG 29 2HB ARG 29 -6.713 10.462 -3.958 204 2HB ARG 29 1HB ARG 29 -8.467 10.318 -3.946 205 1HG ARG 29 2HG ARG 29 -8.751 12.286 -2.887 206 2HG ARG 29 1HG ARG 29 -7.313 12.069 -1.884 207 1HD ARG 29 2HD ARG 29 -5.922 12.557 -3.895 208 2HD ARG 29 1HD ARG 29 -7.407 12.936 -4.770 209 HE ARG 29 HE ARG 29 -6.185 14.500 -2.615 210 1HH1 ARG 29 2HH1 ARG 29 -8.791 14.079 -4.931 211 2HH1 ARG 29 1HH1 ARG 29 -9.367 15.715 -4.770 212 1HH2 ARG 29 2HH2 ARG 29 -6.939 16.662 -2.415 213 2HH2 ARG 29 1HH2 ARG 29 -8.301 17.186 -3.366 214 H ARG 30 H ARG 30 -6.870 7.153 -1.730 215 HA ARG 30 HA ARG 30 -9.362 6.052 -2.852 216 1HB ARG 30 2HB ARG 30 -6.510 5.239 -3.185 217 2HB ARG 30 1HB ARG 30 -7.713 3.961 -3.097 218 1HG ARG 30 2HG ARG 30 -8.038 6.252 -4.993 219 2HG ARG 30 1HG ARG 30 -7.012 4.873 -5.394 220 1HD ARG 30 2HD ARG 30 -8.760 3.489 -5.690 221 2HD ARG 30 1HD ARG 30 -9.683 4.199 -4.365 222 HE ARG 30 HE ARG 30 -9.573 5.176 -7.139 223 1HH1 ARG 30 2HH1 ARG 30 -11.005 5.244 -3.952 224 2HH1 ARG 30 1HH1 ARG 30 -12.363 6.217 -4.428 225 1HH2 ARG 30 2HH2 ARG 30 -11.347 6.483 -7.779 226 2HH2 ARG 30 1HH2 ARG 30 -12.539 6.945 -6.596 227 H THR 31 H THR 31 -10.580 5.321 -1.209 228 HA THR 31 HA THR 31 -9.409 4.513 1.286 229 HB THR 31 HB THR 31 -12.038 3.690 1.386 230 HG1 THR 31 1HG THR 31 -13.119 4.719 -0.101 231 1HG2 THR 31 1HG2 THR 31 -10.902 6.427 1.979 232 2HG2 THR 31 2HG2 THR 31 -10.896 5.037 3.066 233 3HG2 THR 31 3HG2 THR 31 -12.422 5.793 2.607 234 H SER 32 H SER 32 -9.949 3.003 -1.640 235 HA SER 32 HA SER 32 -9.472 0.382 -0.431 236 1HB SER 32 2HB SER 32 -11.021 0.202 -2.893 237 2HB SER 32 1HB SER 32 -11.320 -0.556 -1.329 238 HG SER 32 HG SER 32 -12.464 1.207 -0.667 239 H CYS 33 H CYS 33 -8.209 -1.057 -1.835 240 HA CYS 33 HA CYS 33 -6.238 0.253 -3.265 241 1HB CYS 33 2HB CYS 33 -6.636 -2.474 -4.170 242 2HB CYS 33 1HB CYS 33 -5.271 -1.705 -3.404 243 H ASP 34 H ASP 34 -5.580 -0.488 -5.474 244 HA ASP 34 HA ASP 34 -7.721 0.127 -7.371 245 1HB ASP 34 2HB ASP 34 -5.826 1.606 -7.509 246 2HB ASP 34 1HB ASP 34 -4.704 0.254 -7.552 247 H ARG 35 H ARG 35 -5.548 -2.365 -6.348 248 HA ARG 35 HA ARG 35 -6.101 -3.957 -8.749 249 1HB ARG 35 2HB ARG 35 -3.720 -3.592 -8.054 250 2HB ARG 35 1HB ARG 35 -4.060 -4.502 -6.589 251 1HG ARG 35 2HG ARG 35 -2.982 -5.948 -8.159 252 2HG ARG 35 1HG ARG 35 -4.665 -6.454 -7.999 253 1HD ARG 35 2HD ARG 35 -3.858 -6.445 -10.348 254 2HD ARG 35 1HD ARG 35 -5.237 -5.384 -10.073 255 HE ARG 35 HE ARG 35 -2.450 -4.472 -10.391 256 1HH1 ARG 35 2HH1 ARG 35 -5.906 -3.987 -10.713 257 2HH1 ARG 35 1HH1 ARG 35 -5.753 -2.392 -11.380 258 1HH2 ARG 35 2HH2 ARG 35 -2.245 -2.380 -11.307 259 2HH2 ARG 35 1HH2 ARG 35 -3.666 -1.474 -11.707 260 H CYS 36 H CYS 36 -5.647 -4.643 -5.252 261 HA CYS 36 HA CYS 36 -7.161 -7.057 -5.462 262 1HB CYS 36 2HB CYS 36 -6.746 -6.247 -2.777 263 2HB CYS 36 1HB CYS 36 -5.856 -7.460 -3.702 264 H GLY 37 H GLY 37 -7.722 -3.867 -4.018 265 1HA GLY 37 1HA GLY 37 -9.793 -2.786 -3.888 266 2HA GLY 37 2HA GLY 37 -10.582 -4.295 -4.315 267 H ARG 38 H ARG 38 -8.320 -3.475 -1.724 268 HA ARG 38 HA ARG 38 -10.320 -4.402 0.245 269 1HB ARG 38 2HB ARG 38 -7.654 -5.071 -0.025 270 2HB ARG 38 1HB ARG 38 -7.619 -3.837 1.225 271 1HG ARG 38 2HG ARG 38 -8.031 -5.514 2.628 272 2HG ARG 38 1HG ARG 38 -9.693 -5.413 2.041 273 1HD ARG 38 2HD ARG 38 -8.752 -7.709 1.999 274 2HD ARG 38 1HD ARG 38 -9.294 -7.132 0.424 275 HE ARG 38 HE ARG 38 -6.600 -6.507 0.587 276 1HH1 ARG 38 2HH1 ARG 38 -8.522 -9.441 0.746 277 2HH1 ARG 38 1HH1 ARG 38 -7.305 -10.416 -0.026 278 1HH2 ARG 38 2HH2 ARG 38 -5.028 -7.757 -0.408 279 2HH2 ARG 38 1HH2 ARG 38 -5.311 -9.448 -0.704 280 H GLU 39 H GLU 39 -10.618 -3.082 2.159 281 HA GLU 39 HA GLU 39 -10.420 -0.270 1.500 282 1HB GLU 39 2HB GLU 39 -11.754 -1.734 3.778 283 2HB GLU 39 1HB GLU 39 -11.738 0.018 3.633 284 1HG GLU 39 2HG GLU 39 -12.686 -1.463 1.268 285 2HG GLU 39 1HG GLU 39 -13.710 -1.543 2.702 286 H LYS 40 H LYS 40 -9.253 1.230 2.557 287 HA LYS 40 HA LYS 40 -6.851 0.427 3.818 288 1HB LYS 40 2HB LYS 40 -7.102 2.492 2.461 289 2HB LYS 40 1HB LYS 40 -8.124 3.172 3.720 290 1HG LYS 40 2HG LYS 40 -6.128 2.817 5.276 291 2HG LYS 40 1HG LYS 40 -5.187 2.586 3.800 292 1HD LYS 40 2HD LYS 40 -5.845 4.792 3.009 293 2HD LYS 40 1HD LYS 40 -6.860 5.021 4.435 294 1HE LYS 40 2HE LYS 40 -3.867 4.664 4.430 295 2HE LYS 40 1HE LYS 40 -4.727 6.189 4.656 296 1HZ LYS 40 1HZ LYS 40 -4.689 5.723 6.816 297 2HZ LYS 40 2HZ LYS 40 -4.159 4.133 6.556 298 3HZ LYS 40 3HZ LYS 40 -5.815 4.496 6.506 299 H THR 41 H THR 41 -7.027 -0.595 5.729 300 HA THR 41 HA THR 41 -8.930 0.199 7.721 301 HB THR 41 HB THR 41 -7.431 -1.535 9.068 302 HG1 THR 41 1HG THR 41 -6.544 -3.044 7.505 303 1HG2 THR 41 1HG2 THR 41 -9.072 -3.034 8.626 304 2HG2 THR 41 2HG2 THR 41 -8.916 -2.852 6.878 305 3HG2 THR 41 3HG2 THR 41 -9.816 -1.657 7.814 306 H THR 42 H THR 42 -8.564 2.074 8.774 307 HA THR 42 HA THR 42 -5.964 3.005 9.490 308 HB THR 42 HB THR 42 -8.047 4.029 11.216 309 HG1 THR 42 1HG THR 42 -9.631 4.332 9.849 310 1HG2 THR 42 1HG2 THR 42 -6.961 5.937 10.809 311 2HG2 THR 42 2HG2 THR 42 -7.137 5.761 9.063 312 3HG2 THR 42 3HG2 THR 42 -5.806 4.962 9.901 313 H GLY 43 H GLY 43 -8.460 1.087 10.994 314 1HA GLY 43 1HA GLY 43 -6.548 -0.027 12.848 315 2HA GLY 43 2HA GLY 43 -7.826 0.911 13.614 316 HA PRO 44 HA PRO 44 -9.215 -3.498 12.208 317 1HB PRO 44 2HB PRO 44 -8.410 -4.484 14.863 318 2HB PRO 44 1HB PRO 44 -8.133 -5.198 13.272 319 1HG PRO 44 2HG PRO 44 -6.137 -4.096 14.685 320 2HG PRO 44 1HG PRO 44 -6.202 -3.984 12.917 321 1HD PRO 44 2HD PRO 44 -6.933 -1.932 14.975 322 2HD PRO 44 1HD PRO 44 -6.047 -1.729 13.448 323 H ILE 45 H ILE 45 -9.457 -3.933 15.602 324 HA ILE 45 HA ILE 45 -11.886 -2.384 15.885 325 HB ILE 45 HB ILE 45 -12.752 -4.772 16.962 326 1HG1 ILE 45 2HG1 ILE 45 -11.378 -5.311 14.323 327 1HG2 ILE 45 1HG2 ILE 45 -13.730 -4.367 14.263 328 2HG2 ILE 45 2HG2 ILE 45 -14.566 -4.209 15.808 329 3HG2 ILE 45 3HG2 ILE 45 -13.623 -2.860 15.174 330 1HD1 ILE 45 1HD1 ILE 45 -12.861 -7.496 15.606 331 2HD1 ILE 45 2HD1 ILE 45 -13.838 -6.271 14.796 332 3HD1 ILE 45 3HD1 ILE 45 -12.597 -7.143 13.898 Start of MODEL 20 1 1H GLY 1 1H GLY 1 8.810 2.920 6.647 2 2H GLY 1 2H GLY 1 8.979 1.731 5.455 3 3H GLY 1 3H GLY 1 10.277 2.769 5.808 4 1HA GLY 1 2HA GLY 1 10.926 1.610 7.599 5 2HA GLY 1 1HA GLY 1 9.267 1.271 8.069 6 H SER 2 H SER 2 11.890 -0.308 7.547 7 HA SER 2 HA SER 2 12.432 -2.439 7.016 8 1HB SER 2 2HB SER 2 9.483 -2.807 6.426 9 2HB SER 2 1HB SER 2 10.672 -4.102 6.579 10 HG SER 2 HG SER 2 10.697 -3.862 8.697 11 H MET 3 H MET 3 9.872 -1.679 4.630 12 HA MET 3 HA MET 3 11.859 -2.256 2.531 13 1HB MET 3 2HB MET 3 9.759 -3.739 2.769 14 2HB MET 3 1HB MET 3 8.880 -2.362 2.124 15 1HG MET 3 2HG MET 3 9.529 -4.098 0.447 16 2HG MET 3 1HG MET 3 10.044 -2.455 0.071 17 1HE MET 3 1HE MET 3 12.489 -6.172 0.446 18 2HE MET 3 2HE MET 3 11.737 -5.775 1.990 19 3HE MET 3 3HE MET 3 10.742 -5.953 0.546 20 H SER 4 H SER 4 12.598 -0.454 1.652 21 HA SER 4 HA SER 4 10.900 1.921 1.580 22 1HB SER 4 2HB SER 4 13.555 2.363 0.561 23 2HB SER 4 1HB SER 4 12.800 3.035 2.006 24 HG SER 4 HG SER 4 14.489 1.883 2.775 25 H THR 5 H THR 5 10.114 2.757 -0.266 26 HA THR 5 HA THR 5 10.297 1.328 -2.723 27 HB THR 5 HB THR 5 9.318 3.876 -3.299 28 HG1 THR 5 1HG THR 5 7.722 3.850 -1.367 29 1HG2 THR 5 1HG2 THR 5 7.905 1.355 -2.439 30 2HG2 THR 5 2HG2 THR 5 8.286 1.857 -4.085 31 3HG2 THR 5 3HG2 THR 5 7.089 2.750 -3.147 32 H LYS 6 H LYS 6 12.346 1.279 -3.555 33 HA LYS 6 HA LYS 6 14.033 3.608 -3.613 34 1HB LYS 6 2HB LYS 6 14.397 1.027 -5.146 35 2HB LYS 6 1HB LYS 6 15.635 2.212 -4.748 36 1HG LYS 6 2HG LYS 6 14.591 1.502 -2.291 37 2HG LYS 6 1HG LYS 6 14.621 -0.013 -3.197 38 1HD LYS 6 2HD LYS 6 17.025 0.657 -3.828 39 2HD LYS 6 1HD LYS 6 16.899 1.816 -2.502 40 1HE LYS 6 2HE LYS 6 17.792 0.013 -1.399 41 2HE LYS 6 1HE LYS 6 16.071 -0.287 -1.165 42 1HZ LYS 6 1HZ LYS 6 18.005 -1.729 -2.799 43 2HZ LYS 6 2HZ LYS 6 16.438 -1.586 -3.433 44 3HZ LYS 6 3HZ LYS 6 16.681 -2.311 -1.917 45 H ASN 7 H ASN 7 12.052 1.817 -5.889 46 HA ASN 7 HA ASN 7 12.452 3.899 -7.921 47 1HB ASN 7 2HB ASN 7 12.704 1.687 -8.814 48 2HB ASN 7 1HB ASN 7 11.236 1.131 -8.023 49 1HD2 ASN 7 1HD2 ASN 7 10.133 0.477 -9.776 50 2HD2 ASN 7 2HD2 ASN 7 9.621 1.533 -11.054 51 H PHE 8 H PHE 8 10.961 5.436 -8.141 52 HA PHE 8 HA PHE 8 9.191 6.750 -7.695 53 1HB PHE 8 2HB PHE 8 8.095 4.675 -8.861 54 2HB PHE 8 1HB PHE 8 7.459 4.354 -7.257 55 HD1 PHE 8 1HD PHE 8 5.289 5.039 -6.975 56 HD2 PHE 8 2HD PHE 8 7.879 7.375 -9.424 57 HE1 PHE 8 1HE PHE 8 3.455 6.624 -7.403 58 HE2 PHE 8 2HE PHE 8 6.047 8.961 -9.850 59 HZ PHE 8 HZ PHE 8 3.832 8.585 -8.845 60 H ARG 9 H ARG 9 10.198 7.404 -5.770 61 HA ARG 9 HA ARG 9 9.826 5.959 -3.320 62 1HB ARG 9 2HB ARG 9 10.790 8.805 -3.562 63 2HB ARG 9 1HB ARG 9 11.163 7.636 -2.304 64 1HG ARG 9 2HG ARG 9 12.001 6.588 -4.820 65 2HG ARG 9 1HG ARG 9 12.631 8.223 -4.633 66 1HD ARG 9 2HD ARG 9 12.929 5.988 -2.630 67 2HD ARG 9 1HD ARG 9 14.175 6.526 -3.754 68 HE ARG 9 HE ARG 9 13.383 7.793 -1.290 69 1HH1 ARG 9 2HH1 ARG 9 14.962 8.219 -4.389 70 2HH1 ARG 9 1HH1 ARG 9 15.810 9.659 -3.909 71 1HH2 ARG 9 2HH2 ARG 9 14.503 9.682 -0.639 72 2HH2 ARG 9 1HH2 ARG 9 15.563 10.479 -1.769 73 H VAL 10 H VAL 10 7.504 5.887 -3.323 74 HA VAL 10 HA VAL 10 6.056 8.328 -2.790 75 HB VAL 10 HB VAL 10 4.346 6.317 -2.065 76 1HG1 VAL 10 1HG1 VAL 10 3.644 6.550 -4.595 77 2HG1 VAL 10 2HG1 VAL 10 3.473 7.896 -3.468 78 3HG1 VAL 10 3HG1 VAL 10 4.849 7.838 -4.570 79 1HG2 VAL 10 1HG2 VAL 10 4.525 4.502 -3.610 80 2HG2 VAL 10 2HG2 VAL 10 5.911 5.246 -4.408 81 3HG2 VAL 10 3HG2 VAL 10 6.063 4.639 -2.760 82 H SER 11 H SER 11 7.330 8.977 -0.955 83 HA SER 11 HA SER 11 6.630 7.597 1.533 84 1HB SER 11 2HB SER 11 8.279 10.025 1.650 85 2HB SER 11 1HB SER 11 8.542 8.455 2.415 86 HG SER 11 HG SER 11 9.969 9.275 0.542 87 H ASP 12 H ASP 12 4.597 8.882 0.093 88 HA ASP 12 HA ASP 12 4.215 11.496 1.369 89 1HB ASP 12 2HB ASP 12 4.049 10.947 -1.228 90 2HB ASP 12 1HB ASP 12 2.404 10.503 -0.786 91 H GLY 13 H GLY 13 1.307 11.301 0.654 92 1HA GLY 13 1HA GLY 13 0.416 10.005 3.109 93 2HA GLY 13 2HA GLY 13 -0.554 11.005 2.039 94 H ASP 14 H ASP 14 1.326 8.604 0.576 95 HA ASP 14 HA ASP 14 -0.931 7.180 -0.439 96 1HB ASP 14 2HB ASP 14 0.830 5.685 -1.421 97 2HB ASP 14 1HB ASP 14 1.044 7.390 -1.814 98 H TRP 15 H TRP 15 -0.732 4.654 -0.357 99 HA TRP 15 HA TRP 15 0.283 3.552 2.072 100 1HB TRP 15 2HB TRP 15 -1.818 2.853 3.060 101 2HB TRP 15 1HB TRP 15 -1.798 4.605 2.897 102 HD1 TRP 15 HD TRP 15 -3.301 5.608 0.772 103 HE1 TRP 15 1HE TRP 15 -5.532 4.725 -0.170 104 HE3 TRP 15 3HE TRP 15 -3.166 0.844 2.643 105 HZ2 TRP 15 2HZ TRP 15 -7.032 2.332 -0.125 106 HZ3 TRP 15 3HZ TRP 15 -5.029 -0.663 2.161 107 HH2 TRP 15 HH TRP 15 -6.927 0.056 0.802 108 H ILE 16 H ILE 16 0.267 1.298 2.089 109 HA ILE 16 HA ILE 16 -0.439 0.037 -0.462 110 HB ILE 16 HB ILE 16 0.940 -1.881 0.423 111 1HG1 ILE 16 2HG1 ILE 16 2.532 -0.305 2.227 112 1HG2 ILE 16 1HG2 ILE 16 2.926 -1.012 -0.400 113 2HG2 ILE 16 2HG2 ILE 16 1.698 0.021 -1.130 114 3HG2 ILE 16 3HG2 ILE 16 2.613 0.592 0.266 115 1HD1 ILE 16 1HD1 ILE 16 0.889 -2.723 2.893 116 2HD1 ILE 16 2HD1 ILE 16 2.438 -2.805 2.057 117 3HD1 ILE 16 3HD1 ILE 16 2.352 -2.149 3.692 118 H CYS 17 H CYS 17 -1.492 -2.054 -0.380 119 HA CYS 17 HA CYS 17 -3.828 -2.221 0.968 120 1HB CYS 17 2HB CYS 17 -2.465 -3.837 -0.775 121 2HB CYS 17 1HB CYS 17 -2.528 -4.842 0.665 122 HA PRO 18 HA PRO 18 -3.097 -2.565 5.216 123 1HB PRO 18 2HB PRO 18 -5.331 -4.519 5.326 124 2HB PRO 18 1HB PRO 18 -5.120 -2.997 6.200 125 1HG PRO 18 2HG PRO 18 -6.835 -3.134 4.184 126 2HG PRO 18 1HG PRO 18 -5.791 -1.709 4.380 127 1HD PRO 18 2HD PRO 18 -5.487 -4.022 2.492 128 2HD PRO 18 1HD PRO 18 -5.254 -2.289 2.190 129 H ASP 19 H ASP 19 -3.577 -5.609 3.500 130 HA ASP 19 HA ASP 19 -1.607 -6.865 5.296 131 1HB ASP 19 2HB ASP 19 -3.692 -8.069 5.377 132 2HB ASP 19 1HB ASP 19 -3.816 -8.079 3.623 133 H LYS 20 H LYS 20 0.335 -7.267 4.394 134 HA LYS 20 HA LYS 20 0.669 -6.301 1.698 135 1HB LYS 20 2HB LYS 20 3.155 -6.695 2.246 136 2HB LYS 20 1HB LYS 20 2.290 -5.420 3.093 137 1HG LYS 20 2HG LYS 20 2.831 -6.320 5.031 138 2HG LYS 20 1HG LYS 20 2.029 -7.827 4.578 139 1HD LYS 20 2HD LYS 20 4.040 -8.621 3.503 140 2HD LYS 20 1HD LYS 20 4.850 -7.083 3.810 141 1HE LYS 20 2HE LYS 20 5.632 -8.565 5.463 142 2HE LYS 20 1HE LYS 20 4.459 -7.523 6.267 143 1HZ LYS 20 1HZ LYS 20 4.233 -9.899 6.827 144 2HZ LYS 20 2HZ LYS 20 3.842 -10.230 5.213 145 3HZ LYS 20 3HZ LYS 20 2.824 -9.245 6.147 146 H LYS 21 H LYS 21 -0.624 -8.916 1.994 147 HA LYS 21 HA LYS 21 1.190 -10.618 0.502 148 1HB LYS 21 2HB LYS 21 -1.764 -10.797 1.129 149 2HB LYS 21 1HB LYS 21 -0.948 -11.945 0.075 150 1HG LYS 21 2HG LYS 21 0.513 -11.675 2.523 151 2HG LYS 21 1HG LYS 21 -1.180 -12.035 2.863 152 1HD LYS 21 2HD LYS 21 -1.076 -13.963 1.369 153 2HD LYS 21 1HD LYS 21 0.613 -13.597 1.005 154 1HE LYS 21 2HE LYS 21 0.450 -13.668 3.795 155 2HE LYS 21 1HE LYS 21 -0.517 -15.033 3.237 156 1HZ LYS 21 1HZ LYS 21 2.201 -14.530 2.189 157 2HZ LYS 21 2HZ LYS 21 1.302 -15.967 2.144 158 3HZ LYS 21 3HZ LYS 21 1.950 -15.419 3.615 159 H CYS 22 H CYS 22 -0.848 -8.002 0.061 160 HA CYS 22 HA CYS 22 -0.712 -8.178 -2.867 161 1HB CYS 22 2HB CYS 22 -2.941 -7.745 -2.127 162 2HB CYS 22 1HB CYS 22 -2.401 -6.592 -0.931 163 H GLY 23 H GLY 23 -0.804 -5.494 -0.583 164 1HA GLY 23 1HA GLY 23 0.755 -3.867 -0.071 165 2HA GLY 23 2HA GLY 23 1.963 -4.816 -0.928 166 H ASN 24 H ASN 24 -1.031 -3.889 -2.420 167 HA ASN 24 HA ASN 24 0.242 -2.638 -4.611 168 1HB ASN 24 2HB ASN 24 -2.015 -3.626 -4.755 169 2HB ASN 24 1HB ASN 24 -2.629 -2.371 -3.684 170 1HD2 ASN 24 1HD2 ASN 24 -3.173 -0.427 -4.516 171 2HD2 ASN 24 2HD2 ASN 24 -3.021 -0.006 -6.186 172 H VAL 25 H VAL 25 0.966 -0.644 -4.888 173 HA VAL 25 HA VAL 25 0.806 1.241 -2.723 174 HB VAL 25 HB VAL 25 1.973 2.714 -4.604 175 1HG1 VAL 25 1HG1 VAL 25 3.429 0.444 -3.266 176 2HG1 VAL 25 2HG1 VAL 25 4.089 2.010 -3.741 177 3HG1 VAL 25 3HG1 VAL 25 2.906 1.909 -2.436 178 1HG2 VAL 25 1HG2 VAL 25 2.689 -0.076 -5.481 179 2HG2 VAL 25 2HG2 VAL 25 1.547 0.959 -6.338 180 3HG2 VAL 25 3HG2 VAL 25 3.234 1.447 -6.183 181 H ASN 26 H ASN 26 -1.165 2.087 -2.473 182 HA ASN 26 HA ASN 26 -2.783 2.769 -4.775 183 1HB ASN 26 2HB ASN 26 -3.245 2.683 -1.812 184 2HB ASN 26 1HB ASN 26 -4.366 3.564 -2.850 185 1HD2 ASN 26 1HD2 ASN 26 -3.613 0.605 -1.537 186 2HD2 ASN 26 2HD2 ASN 26 -4.603 -0.400 -2.530 187 H PHE 27 H PHE 27 -3.557 4.797 -5.265 188 HA PHE 27 HA PHE 27 -1.840 6.808 -5.625 189 1HB PHE 27 2HB PHE 27 -3.925 6.924 -6.707 190 2HB PHE 27 1HB PHE 27 -4.816 6.885 -5.193 191 HD1 PHE 27 1HD PHE 27 -2.153 9.053 -6.692 192 HD2 PHE 27 2HD PHE 27 -5.918 8.809 -4.723 193 HE1 PHE 27 1HE PHE 27 -2.325 11.506 -6.722 194 HE2 PHE 27 2HE PHE 27 -6.095 11.264 -4.746 195 HZ PHE 27 HZ PHE 27 -4.296 12.613 -5.749 196 H ALA 28 H ALA 28 -4.305 7.325 -3.117 197 HA ALA 28 HA ALA 28 -2.640 7.823 -0.955 198 1HB ALA 28 1HB ALA 28 -3.533 10.489 -1.965 199 2HB ALA 28 2HB ALA 28 -2.214 10.081 -0.868 200 3HB ALA 28 3HB ALA 28 -2.042 9.789 -2.598 201 H ARG 29 H ARG 29 -5.379 9.480 -2.488 202 HA ARG 29 HA ARG 29 -6.912 9.246 -0.026 203 1HB ARG 29 2HB ARG 29 -7.075 10.883 -2.481 204 2HB ARG 29 1HB ARG 29 -8.614 10.442 -1.754 205 1HG ARG 29 2HG ARG 29 -6.378 12.038 -0.560 206 2HG ARG 29 1HG ARG 29 -8.057 12.510 -0.819 207 1HD ARG 29 2HD ARG 29 -8.578 10.543 0.801 208 2HD ARG 29 1HD ARG 29 -6.891 10.725 1.278 209 HE ARG 29 HE ARG 29 -7.473 13.099 1.789 210 1HH1 ARG 29 2HH1 ARG 29 -9.930 10.597 1.785 211 2HH1 ARG 29 1HH1 ARG 29 -10.980 11.443 2.887 212 1HH2 ARG 29 2HH2 ARG 29 -8.856 14.226 3.232 213 2HH2 ARG 29 1HH2 ARG 29 -10.368 13.517 3.711 214 H ARG 30 H ARG 30 -6.224 7.148 -2.256 215 HA ARG 30 HA ARG 30 -8.719 6.095 -3.085 216 1HB ARG 30 2HB ARG 30 -5.902 5.302 -3.155 217 2HB ARG 30 1HB ARG 30 -6.979 3.939 -2.888 218 1HG ARG 30 2HG ARG 30 -8.018 5.573 -4.988 219 2HG ARG 30 1HG ARG 30 -6.329 5.186 -5.315 220 1HD ARG 30 2HD ARG 30 -6.718 2.917 -5.386 221 2HD ARG 30 1HD ARG 30 -8.178 3.027 -4.405 222 HE ARG 30 HE ARG 30 -8.174 4.135 -7.125 223 1HH1 ARG 30 2HH1 ARG 30 -9.276 1.712 -4.850 224 2HH1 ARG 30 1HH1 ARG 30 -10.598 1.185 -5.852 225 1HH2 ARG 30 2HH2 ARG 30 -9.904 3.469 -8.443 226 2HH2 ARG 30 1HH2 ARG 30 -10.975 2.211 -7.894 227 H THR 31 H THR 31 -10.238 5.324 -1.742 228 HA THR 31 HA THR 31 -9.534 4.663 0.983 229 HB THR 31 HB THR 31 -12.194 4.017 0.704 230 HG1 THR 31 1HG THR 31 -12.930 4.981 -1.020 231 1HG2 THR 31 1HG2 THR 31 -12.614 6.071 1.862 232 2HG2 THR 31 2HG2 THR 31 -11.125 6.788 1.244 233 3HG2 THR 31 3HG2 THR 31 -11.051 5.463 2.406 234 H SER 32 H SER 32 -10.102 3.002 -1.962 235 HA SER 32 HA SER 32 -9.936 0.434 -0.538 236 1HB SER 32 2HB SER 32 -11.177 0.230 -3.151 237 2HB SER 32 1HB SER 32 -11.762 -0.346 -1.593 238 HG SER 32 HG SER 32 -12.872 1.459 -1.302 239 H CYS 33 H CYS 33 -8.654 -1.160 -1.521 240 HA CYS 33 HA CYS 33 -6.396 -0.334 -2.910 241 1HB CYS 33 2HB CYS 33 -6.502 -2.426 -1.627 242 2HB CYS 33 1HB CYS 33 -7.618 -3.100 -2.805 243 H ASP 34 H ASP 34 -5.838 -0.170 -4.986 244 HA ASP 34 HA ASP 34 -7.882 -0.139 -6.992 245 1HB ASP 34 2HB ASP 34 -5.501 1.137 -6.765 246 2HB ASP 34 1HB ASP 34 -5.047 -0.165 -7.858 247 H ARG 35 H ARG 35 -5.743 -2.487 -5.744 248 HA ARG 35 HA ARG 35 -5.920 -4.205 -8.101 249 1HB ARG 35 2HB ARG 35 -4.189 -3.992 -5.767 250 2HB ARG 35 1HB ARG 35 -4.721 -5.643 -6.043 251 1HG ARG 35 2HG ARG 35 -3.996 -4.945 -8.545 252 2HG ARG 35 1HG ARG 35 -2.878 -3.965 -7.593 253 1HD ARG 35 2HD ARG 35 -3.293 -6.910 -7.128 254 2HD ARG 35 1HD ARG 35 -2.068 -6.275 -8.225 255 HE ARG 35 HE ARG 35 -2.133 -5.818 -5.302 256 1HH1 ARG 35 2HH1 ARG 35 -0.403 -6.074 -8.340 257 2HH1 ARG 35 1HH1 ARG 35 1.165 -5.857 -7.619 258 1HH2 ARG 35 2HH2 ARG 35 -0.083 -5.537 -4.350 259 2HH2 ARG 35 1HH2 ARG 35 1.346 -5.546 -5.341 260 H CYS 36 H CYS 36 -6.646 -4.375 -4.627 261 HA CYS 36 HA CYS 36 -8.270 -6.732 -5.000 262 1HB CYS 36 2HB CYS 36 -7.823 -5.128 -2.512 263 2HB CYS 36 1HB CYS 36 -8.442 -6.769 -2.604 264 H GLY 37 H GLY 37 -8.794 -3.499 -3.636 265 1HA GLY 37 1HA GLY 37 -10.857 -2.283 -4.055 266 2HA GLY 37 2HA GLY 37 -11.677 -3.837 -4.179 267 H ARG 38 H ARG 38 -9.576 -4.328 -1.809 268 HA ARG 38 HA ARG 38 -11.434 -4.205 0.306 269 1HB ARG 38 2HB ARG 38 -8.598 -4.899 -0.021 270 2HB ARG 38 1HB ARG 38 -9.013 -4.276 1.570 271 1HG ARG 38 2HG ARG 38 -9.795 -6.264 2.138 272 2HG ARG 38 1HG ARG 38 -10.997 -6.160 0.849 273 1HD ARG 38 2HD ARG 38 -9.972 -7.882 -0.114 274 2HD ARG 38 1HD ARG 38 -8.634 -6.786 -0.455 275 HE ARG 38 HE ARG 38 -8.775 -8.381 2.034 276 1HH1 ARG 38 2HH1 ARG 38 -7.036 -7.313 -0.826 277 2HH1 ARG 38 1HH1 ARG 38 -5.532 -8.011 -0.320 278 1HH2 ARG 38 2HH2 ARG 38 -6.776 -9.287 2.709 279 2HH2 ARG 38 1HH2 ARG 38 -5.375 -9.127 1.683 280 H GLU 39 H GLU 39 -11.701 -2.736 1.964 281 HA GLU 39 HA GLU 39 -10.906 -0.037 1.309 282 1HB GLU 39 2HB GLU 39 -12.557 -1.142 3.589 283 2HB GLU 39 1HB GLU 39 -12.290 0.570 3.297 284 1HG GLU 39 2HG GLU 39 -13.427 -1.117 1.124 285 2HG GLU 39 1HG GLU 39 -14.459 -0.612 2.460 286 H LYS 40 H LYS 40 -9.664 1.341 2.582 287 HA LYS 40 HA LYS 40 -7.392 0.349 3.823 288 1HB LYS 40 2HB LYS 40 -7.841 2.712 2.963 289 2HB LYS 40 1HB LYS 40 -8.616 3.015 4.511 290 1HG LYS 40 2HG LYS 40 -6.294 2.023 5.385 291 2HG LYS 40 1HG LYS 40 -5.757 2.699 3.846 292 1HD LYS 40 2HD LYS 40 -6.861 4.850 4.514 293 2HD LYS 40 1HD LYS 40 -7.137 4.139 6.105 294 1HE LYS 40 2HE LYS 40 -4.448 3.677 5.597 295 2HE LYS 40 1HE LYS 40 -4.732 5.307 4.987 296 1HZ LYS 40 1HZ LYS 40 -5.984 4.935 7.514 297 2HZ LYS 40 2HZ LYS 40 -4.827 6.085 7.046 298 3HZ LYS 40 3HZ LYS 40 -4.331 4.562 7.608 299 H THR 41 H THR 41 -7.599 -1.097 5.414 300 HA THR 41 HA THR 41 -9.379 -0.561 7.666 301 HB THR 41 HB THR 41 -8.065 -3.011 8.063 302 HG1 THR 41 1HG THR 41 -8.906 -2.728 5.343 303 1HG2 THR 41 1HG2 THR 41 -10.624 -3.102 6.623 304 2HG2 THR 41 2HG2 THR 41 -10.617 -2.075 8.059 305 3HG2 THR 41 3HG2 THR 41 -10.183 -3.780 8.190 306 H THR 42 H THR 42 -6.377 0.276 6.841 307 HA THR 42 HA THR 42 -4.985 -0.372 9.293 308 HB THR 42 HB THR 42 -3.550 1.507 7.709 309 HG1 THR 42 1HG THR 42 -3.560 0.201 5.719 310 1HG2 THR 42 1HG2 THR 42 -1.998 0.060 8.397 311 2HG2 THR 42 2HG2 THR 42 -2.598 -1.096 7.207 312 3HG2 THR 42 3HG2 THR 42 -3.239 -1.109 8.850 313 H GLY 43 H GLY 43 -5.380 0.837 11.059 314 1HA GLY 43 1HA GLY 43 -5.007 2.849 12.261 315 2HA GLY 43 2HA GLY 43 -5.248 3.752 10.773 316 HA PRO 44 HA PRO 44 -9.474 2.885 12.870 317 1HB PRO 44 2HB PRO 44 -9.449 2.898 15.531 318 2HB PRO 44 1HB PRO 44 -8.973 1.449 14.634 319 1HG PRO 44 2HG PRO 44 -7.264 3.499 15.976 320 2HG PRO 44 1HG PRO 44 -7.074 1.738 15.924 321 1HD PRO 44 2HD PRO 44 -5.731 3.545 14.299 322 2HD PRO 44 1HD PRO 44 -5.934 1.816 13.957 323 H ILE 45 H ILE 45 -10.940 4.308 14.255 324 HA ILE 45 HA ILE 45 -9.856 7.048 14.360 325 HB ILE 45 HB ILE 45 -12.740 6.999 14.322 326 1HG1 ILE 45 2HG1 ILE 45 -11.545 5.997 11.750 327 1HG2 ILE 45 1HG2 ILE 45 -10.926 8.788 13.738 328 2HG2 ILE 45 2HG2 ILE 45 -11.042 8.082 12.125 329 3HG2 ILE 45 3HG2 ILE 45 -12.473 8.772 12.892 330 1HD1 ILE 45 1HD1 ILE 45 -13.676 6.797 11.326 331 2HD1 ILE 45 2HD1 ILE 45 -13.928 5.069 11.568 332 3HD1 ILE 45 3HD1 ILE 45 -14.314 6.206 12.862
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