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ID	2292	NAME	TAP   Blast NCBI-PROT
LENGTH	38	DISULFIDE BRIDGE	3		View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\NPVSCVRNKGICVPIRCPGSMKQIGTCVGRAVKCCRKK.pdb REMARK YASARA Written on: Wed May 14 17:55:45 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 584 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 39.97500 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-DEFENSIN 2; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: `NOTE:` This template has been downloaded from PDB_REDO (www.cmbi.ru.nl/pdb_redo), since re-refinement improved the structure quality Z-score by 0.519.; SEQRES 1 A 38 ASN PRO VAL SER CYS VAL ARG ASN LYS GLY ILE CYS VAL SEQRES 2 A 38 PRO ILE ARG CYS PRO GLY SER MET LYS GLN ILE GLY THR SEQRES 3 A 38 CYS VAL GLY ARG ALA VAL LYS CYS CYS ARG LYS LYS CRYST1 54.525 79.950 74.271 90.00 105.30 90.00 P 1 21 1 32 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018340 0.000000 0.005017 0.00000 SCALE2 0.000000 0.012508 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013959 0.00000 SSBOND 1 CYS A 5 CYS A 34 2.03 SSBOND 3 CYS A 12 CYS A 27 2.03 SSBOND 5 CYS A 17 CYS A 35 2.03 ATOM 1 N ASN A 1 10.042 -36.757 56.768 1.00 -3.71 N ATOM 2 1H ASN A 1 9.232 -36.461 56.239 1.00 -3.71 H ATOM 3 2H ASN A 1 10.852 -36.234 56.463 1.00 -3.71 H ATOM 4 3H ASN A 1 9.878 -36.579 57.749 1.00 -3.71 H ATOM 5 CA ASN A 1 10.286 -38.220 56.560 1.00 -3.71 C ATOM 6 HA ASN A 1 10.442 -38.403 55.498 1.00 -3.71 H ATOM 7 C ASN A 1 9.069 -38.996 57.025 1.00 -3.71 C ATOM 8 O ASN A 1 8.337 -38.479 57.860 1.00 -3.71 O ATOM 9 CB ASN A 1 11.537 -38.674 57.330 1.00 -3.71 C ATOM 10 1HB ASN A 1 11.433 -38.397 58.379 1.00 -3.71 H ATOM 11 2HB ASN A 1 11.626 -39.757 57.265 1.00 -3.71 H ATOM 12 CG ASN A 1 12.806 -38.053 56.785 1.00 -3.71 C ATOM 13 OD1 ASN A 1 12.798 -36.907 56.385 1.00 -3.71 O ATOM 14 ND2 ASN A 1 13.880 -38.796 56.740 1.00 -3.71 N ATOM 15 1HD2 ASN A 1 14.727 -38.387 56.368 1.00 -3.71 H ATOM 16 2HD2 ASN A 1 13.880 -39.745 57.071 1.00 -3.71 H ATOM 17 N PRO A 2 8.806 -40.215 56.509 1.00 13.97 N ATOM 18 CA PRO A 2 7.543 -40.819 56.967 1.00 13.97 C ATOM 19 HA PRO A 2 6.710 -40.168 56.699 1.00 13.97 H ATOM 20 C PRO A 2 7.471 -41.139 58.461 1.00 13.97 C ATOM 21 O PRO A 2 6.441 -40.951 59.090 1.00 13.97 O ATOM 22 CB PRO A 2 7.463 -42.117 56.153 1.00 13.97 C ATOM 23 1HB PRO A 2 7.864 -42.950 56.730 1.00 13.97 H ATOM 24 2HB PRO A 2 6.435 -42.323 55.854 1.00 13.97 H ATOM 25 CG PRO A 2 8.321 -41.864 54.962 1.00 13.97 C ATOM 26 1HG PRO A 2 8.653 -42.799 54.511 1.00 13.97 H ATOM 27 2HG PRO A 2 7.782 -41.255 54.234 1.00 13.97 H ATOM 28 CD PRO A 2 9.476 -41.094 55.531 1.00 13.97 C ATOM 29 1HD PRO A 2 10.175 -41.765 56.034 1.00 13.97 H ATOM 30 2HD PRO A 2 9.979 -40.524 54.750 1.00 13.97 H ATOM 31 N VAL A 3 8.579 -41.564 59.052 1.00 -2.73 N ATOM 32 H VAL A 3 9.408 -41.727 58.507 1.00 -2.73 H ATOM 33 CA VAL A 3 8.607 -41.885 60.482 1.00 -2.73 C ATOM 34 HA VAL A 3 7.827 -42.622 60.687 1.00 -2.73 H ATOM 35 C VAL A 3 8.316 -40.648 61.331 1.00 -2.73 C ATOM 36 O VAL A 3 7.543 -40.699 62.285 1.00 -2.73 O ATOM 37 CB VAL A 3 9.987 -42.492 60.878 1.00 -2.73 C ATOM 38 HB VAL A 3 10.759 -41.749 60.679 1.00 -2.73 H ATOM 39 CG1 VAL A 3 10.042 -42.866 62.367 1.00 -2.73 C ATOM 40 1HG1 VAL A 3 11.006 -43.325 62.596 1.00 -2.73 H ATOM 41 2HG1 VAL A 3 9.246 -43.577 62.604 1.00 -2.73 H ATOM 42 3HG1 VAL A 3 9.925 -41.977 62.984 1.00 -2.73 H ATOM 43 CG2 VAL A 3 10.289 -43.736 60.025 1.00 -2.73 C ATOM 44 1HG2 VAL A 3 11.230 -44.187 60.348 1.00 -2.73 H ATOM 45 2HG2 VAL A 3 10.388 -43.478 58.972 1.00 -2.73 H ATOM 46 3HG2 VAL A 3 9.493 -44.476 60.139 1.00 -2.73 H ATOM 47 N SER A 4 8.892 -39.510 60.967 1.00-11.97 N ATOM 48 H SER A 4 9.489 -39.475 60.161 1.00-11.97 H ATOM 49 CA SER A 4 8.652 -38.283 61.722 1.00-11.97 C ATOM 50 HA SER A 4 8.796 -38.485 62.784 1.00-11.97 H ATOM 51 C SER A 4 7.213 -37.821 61.527 1.00-11.97 C ATOM 52 O SER A 4 6.632 -37.212 62.412 1.00-11.97 O ATOM 53 CB SER A 4 9.633 -37.187 61.298 1.00-11.97 C ATOM 54 1HB SER A 4 9.440 -36.285 61.880 1.00-11.97 H ATOM 55 2HB SER A 4 10.649 -37.528 61.501 1.00-11.97 H ATOM 56 OG SER A 4 9.520 -36.895 59.914 1.00-11.97 O ATOM 57 HG SER A 4 8.762 -36.308 59.803 1.00-11.97 H ATOM 58 N CYS A 5 6.621 -38.144 60.386 1.00 -2.08 N ATOM 59 H CYS A 5 7.131 -38.647 59.672 1.00 -2.08 H ATOM 60 CA CYS A 5 5.229 -37.794 60.139 1.00 -2.08 C ATOM 61 HA CYS A 5 5.104 -36.731 60.337 1.00 -2.08 H ATOM 62 C CYS A 5 4.303 -38.567 61.074 1.00 -2.08 C ATOM 63 O CYS A 5 3.447 -37.973 61.719 1.00 -2.08 O ATOM 64 CB CYS A 5 4.863 -38.070 58.679 1.00 -2.08 C ATOM 65 1HB CYS A 5 5.618 -37.621 58.036 1.00 -2.08 H ATOM 66 2HB CYS A 5 4.852 -39.146 58.507 1.00 -2.08 H ATOM 67 SG CYS A 5 3.240 -37.399 58.215 1.00 -2.08 S ATOM 68 N VAL A 6 4.520 -39.868 61.216 1.00 9.09 N ATOM 69 H VAL A 6 5.242 -40.319 60.662 1.00 9.09 H ATOM 70 CA VAL A 6 3.717 -40.693 62.126 1.00 9.09 C ATOM 71 HA VAL A 6 2.662 -40.544 61.892 1.00 9.09 H ATOM 72 C VAL A 6 3.940 -40.265 63.580 1.00 9.09 C ATOM 73 O VAL A 6 2.997 -40.189 64.380 1.00 9.09 O ATOM 74 CB VAL A 6 4.057 -42.205 61.937 1.00 9.09 C ATOM 75 HB VAL A 6 5.123 -42.346 62.115 1.00 9.09 H ATOM 76 CG1 VAL A 6 3.278 -43.099 62.915 1.00 9.09 C ATOM 77 1HG1 VAL A 6 3.507 -44.148 62.719 1.00 9.09 H ATOM 78 2HG1 VAL A 6 2.204 -42.942 62.794 1.00 9.09 H ATOM 79 3HG1 VAL A 6 3.562 -42.874 63.942 1.00 9.09 H ATOM 80 CG2 VAL A 6 3.737 -42.650 60.500 1.00 9.09 C ATOM 81 1HG2 VAL A 6 3.977 -43.708 60.378 1.00 9.09 H ATOM 82 2HG2 VAL A 6 4.322 -42.085 59.780 1.00 9.09 H ATOM 83 3HG2 VAL A 6 2.676 -42.499 60.286 1.00 9.09 H ATOM 84 N ARG A 7 5.168 -39.905 63.935 1.00-21.93 N ATOM 85 H ARG A 7 5.929 -39.994 63.266 1.00-21.93 H ATOM 86 CA ARG A 7 5.433 -39.378 65.281 1.00-21.93 C ATOM 87 HA ARG A 7 5.105 -40.109 66.016 1.00-21.93 H ATOM 88 C ARG A 7 4.647 -38.098 65.532 1.00-21.93 C ATOM 89 O ARG A 7 4.068 -37.933 66.603 1.00-21.93 O ATOM 90 CB ARG A 7 6.924 -39.102 65.491 1.00-21.93 C ATOM 91 1HB ARG A 7 7.303 -38.536 64.642 1.00-21.93 H ATOM 92 2HB ARG A 7 7.036 -38.489 66.387 1.00-21.93 H ATOM 93 CG ARG A 7 7.762 -40.360 65.671 1.00-21.93 C ATOM 94 1HG ARG A 7 7.404 -40.904 66.545 1.00-21.93 H ATOM 95 2HG ARG A 7 7.662 -40.997 64.795 1.00-21.93 H ATOM 96 CD ARG A 7 9.228 -40.009 65.868 1.00-21.93 C ATOM 97 1HD ARG A 7 9.576 -39.442 65.004 1.00-21.93 H ATOM 98 2HD ARG A 7 9.323 -39.388 66.760 1.00-21.93 H ATOM 99 NE ARG A 7 10.054 -41.216 66.025 1.00-21.93 N ATOM 100 HE ARG A 7 9.577 -42.098 65.931 1.00-21.93 H ATOM 101 CZ ARG A 7 11.355 -41.251 66.285 1.00-21.93 C ATOM 102 NH1 ARG A 7 11.945 -42.410 66.386 1.00-21.93 N ATOM 103 1HH1 ARG A 7 11.419 -43.262 66.278 1.00-21.93 H ATOM 104 2HH1 ARG A 7 12.929 -42.460 66.592 1.00-21.93 H ATOM 105 NH2 ARG A 7 12.091 -40.180 66.451 1.00-21.93 N ATOM 106 1HH2 ARG A 7 11.663 -39.270 66.399 1.00-21.93 H ATOM 107 2HH2 ARG A 7 13.075 -40.261 66.636 1.00-21.93 H ATOM 108 N ASN A 8 4.555 -37.244 64.526 1.00 -8.43 N ATOM 109 H ASN A 8 5.031 -37.454 63.654 1.00 -8.43 H ATOM 110 CA ASN A 8 3.850 -35.968 64.638 1.00 -8.43 C ATOM 111 HA ASN A 8 3.913 -35.630 65.673 1.00 -8.43 H ATOM 112 C ASN A 8 2.363 -36.079 64.281 1.00 -8.43 C ATOM 113 O ASN A 8 1.666 -35.061 64.184 1.00 -8.43 O ATOM 114 CB ASN A 8 4.535 -34.922 63.749 1.00 -8.43 C ATOM 115 1HB ASN A 8 4.563 -35.286 62.723 1.00 -8.43 H ATOM 116 2HB ASN A 8 3.959 -34.001 63.778 1.00 -8.43 H ATOM 117 CG ASN A 8 5.940 -34.595 64.199 1.00 -8.43 C ATOM 118 OD1 ASN A 8 6.360 -34.933 65.293 1.00 -8.43 O ATOM 119 ND2 ASN A 8 6.665 -33.893 63.372 1.00 -8.43 N ATOM 120 1HD2 ASN A 8 7.593 -33.635 63.660 1.00 -8.43 H ATOM 121 2HD2 ASN A 8 6.294 -33.611 62.482 1.00 -8.43 H ATOM 122 N LYS A 9 1.891 -37.313 64.121 1.00 15.66 N ATOM 123 H LYS A 9 2.552 -38.080 64.162 1.00 15.66 H ATOM 124 CA LYS A 9 0.481 -37.661 63.878 1.00 15.66 C ATOM 125 HA LYS A 9 0.446 -38.737 63.709 1.00 15.66 H ATOM 126 C LYS A 9 -0.101 -37.054 62.608 1.00 15.66 C ATOM 127 O LYS A 9 -1.272 -36.675 62.548 1.00 15.66 O ATOM 128 CB LYS A 9 -0.384 -37.365 65.116 1.00 15.66 C ATOM 129 1HB LYS A 9 -0.413 -36.286 65.270 1.00 15.66 H ATOM 130 2HB LYS A 9 -1.402 -37.710 64.931 1.00 15.66 H ATOM 131 CG LYS A 9 0.125 -38.026 66.404 1.00 15.66 C ATOM 132 1HG LYS A 9 1.159 -37.728 66.568 1.00 15.66 H ATOM 133 2HG LYS A 9 -0.466 -37.665 67.245 1.00 15.66 H ATOM 134 CD LYS A 9 0.027 -39.558 66.364 1.00 15.66 C ATOM 135 1HD LYS A 9 -1.025 -39.842 66.388 1.00 15.66 H ATOM 136 2HD LYS A 9 0.468 -39.942 65.446 1.00 15.66 H ATOM 137 CE LYS A 9 0.756 -40.203 67.532 1.00 15.66 C ATOM 138 1HE LYS A 9 0.449 -39.726 68.465 1.00 15.66 H ATOM 139 2HE LYS A 9 0.492 -41.262 67.568 1.00 15.66 H ATOM 140 NZ LYS A 9 2.240 -40.071 67.341 1.00 15.66 N ATOM 141 1HZ LYS A 9 2.733 -40.568 68.068 1.00 15.66 H ATOM 142 2HZ LYS A 9 2.516 -39.094 67.363 1.00 15.66 H ATOM 143 3HZ LYS A 9 2.502 -40.444 66.433 1.00 15.66 H ATOM 144 N GLY A 10 0.730 -37.011 61.582 1.00 4.15 N ATOM 145 H GLY A 10 1.688 -37.332 61.692 1.00 4.15 H ATOM 146 CA GLY A 10 0.283 -36.646 60.254 1.00 4.15 C ATOM 147 1HA GLY A 10 -0.676 -36.147 60.308 1.00 4.15 H ATOM 148 2HA GLY A 10 1.003 -35.974 59.794 1.00 4.15 H ATOM 149 C GLY A 10 0.130 -37.879 59.392 1.00 4.15 C ATOM 150 O GLY A 10 0.632 -38.953 59.718 1.00 4.15 O ATOM 151 N ILE A 11 -0.574 -37.704 58.287 1.00-20.54 N ATOM 152 H ILE A 11 -0.983 -36.791 58.104 1.00-20.54 H ATOM 153 CA ILE A 11 -0.830 -38.740 57.294 1.00-20.54 C ATOM 154 HA ILE A 11 -0.476 -39.711 57.639 1.00-20.54 H ATOM 155 C ILE A 11 -0.030 -38.277 56.081 1.00-20.54 C ATOM 156 O ILE A 11 -0.065 -37.091 55.749 1.00-20.54 O ATOM 157 CB ILE A 11 -2.356 -38.800 56.966 1.00-20.54 C ATOM 158 HB ILE A 11 -2.667 -37.813 56.621 1.00-20.54 H ATOM 159 CG1 ILE A 11 -3.158 -39.141 58.243 1.00-20.54 C ATOM 160 1HG1 ILE A 11 -2.966 -40.182 58.505 1.00-20.54 H ATOM 161 2HG1 ILE A 11 -2.806 -38.523 59.067 1.00-20.54 H ATOM 162 CG2 ILE A 11 -2.650 -39.829 55.841 1.00-20.54 C ATOM 163 1HG2 ILE A 11 -3.711 -39.827 55.596 1.00-20.54 H ATOM 164 2HG2 ILE A 11 -2.358 -40.832 56.157 1.00-20.54 H ATOM 165 3HG2 ILE A 11 -2.102 -39.564 54.935 1.00-20.54 H ATOM 166 CD1 ILE A 11 -4.676 -38.930 58.151 1.00-20.54 C ATOM 167 1HD1 ILE A 11 -5.129 -39.163 59.115 1.00-20.54 H ATOM 168 2HD1 ILE A 11 -5.106 -39.585 57.393 1.00-20.54 H ATOM 169 3HD1 ILE A 11 -4.885 -37.889 57.902 1.00-20.54 H ATOM 170 N CYS A 12 0.708 -39.163 55.431 1.00-15.31 N ATOM 171 H CYS A 12 0.749 -40.118 55.745 1.00-15.31 H ATOM 172 CA CYS A 12 1.416 -38.781 54.212 1.00-15.31 C ATOM 173 HA CYS A 12 1.886 -37.816 54.370 1.00-15.31 H ATOM 174 C CYS A 12 0.424 -38.665 53.053 1.00-15.31 C ATOM 175 O CYS A 12 -0.335 -39.599 52.803 1.00-15.31 O ATOM 176 CB CYS A 12 2.497 -39.810 53.869 1.00-15.31 C ATOM 177 1HB CYS A 12 2.028 -40.789 53.768 1.00-15.31 H ATOM 178 2HB CYS A 12 2.934 -39.542 52.911 1.00-15.31 H ATOM 179 SG CYS A 12 3.830 -39.906 55.108 1.00-15.31 S ATOM 180 N VAL A 13 0.428 -37.542 52.346 1.00 4.47 N ATOM 181 H VAL A 13 1.086 -36.805 52.593 1.00 4.47 H ATOM 182 CA VAL A 13 -0.493 -37.306 51.223 1.00 4.47 C ATOM 183 HA VAL A 13 -0.967 -38.246 50.950 1.00 4.47 H ATOM 184 C VAL A 13 0.353 -36.790 50.052 1.00 4.47 C ATOM 185 O VAL A 13 1.181 -35.904 50.248 1.00 4.47 O ATOM 186 CB VAL A 13 -1.607 -36.282 51.606 1.00 4.47 C ATOM 187 HB VAL A 13 -1.139 -35.324 51.822 1.00 4.47 H ATOM 188 CG1 VAL A 13 -2.610 -36.092 50.465 1.00 4.47 C ATOM 189 1HG1 VAL A 13 -3.358 -35.357 50.756 1.00 4.47 H ATOM 190 2HG1 VAL A 13 -3.106 -37.036 50.233 1.00 4.47 H ATOM 191 3HG1 VAL A 13 -2.104 -35.716 49.579 1.00 4.47 H ATOM 192 CG2 VAL A 13 -2.379 -36.741 52.860 1.00 4.47 C ATOM 193 1HG2 VAL A 13 -3.194 -36.052 53.075 1.00 4.47 H ATOM 194 2HG2 VAL A 13 -1.712 -36.753 53.722 1.00 4.47 H ATOM 195 3HG2 VAL A 13 -2.781 -37.745 52.712 1.00 4.47 H ATOM 196 N PRO A 14 0.227 -37.369 48.842 1.00 27.40 N ATOM 197 CA PRO A 14 1.382 -37.222 47.942 1.00 27.40 C ATOM 198 HA PRO A 14 2.283 -37.483 48.486 1.00 27.40 H ATOM 199 C PRO A 14 1.674 -35.900 47.226 1.00 27.40 C ATOM 200 O PRO A 14 2.759 -35.770 46.678 1.00 27.40 O ATOM 201 CB PRO A 14 1.127 -38.316 46.902 1.00 27.40 C ATOM 202 1HB PRO A 14 1.561 -38.051 45.938 1.00 27.40 H ATOM 203 2HB PRO A 14 1.526 -39.269 47.248 1.00 27.40 H ATOM 204 CG PRO A 14 -0.343 -38.395 46.824 1.00 27.40 C ATOM 205 1HG PRO A 14 -0.737 -37.556 46.250 1.00 27.40 H ATOM 206 2HG PRO A 14 -0.660 -39.341 46.387 1.00 27.40 H ATOM 207 CD PRO A 14 -0.760 -38.304 48.269 1.00 27.40 C ATOM 208 1HD PRO A 14 -1.773 -37.912 48.350 1.00 27.40 H ATOM 209 2HD PRO A 14 -0.681 -39.280 48.753 1.00 27.40 H ATOM 210 N ILE A 15 0.749 -34.946 47.181 1.00 7.81 N ATOM 211 H ILE A 15 -0.127 -35.090 47.648 1.00 7.81 H ATOM 212 CA ILE A 15 0.993 -33.697 46.431 1.00 7.81 C ATOM 213 HA ILE A 15 2.057 -33.632 46.204 1.00 7.81 H ATOM 214 C ILE A 15 0.628 -32.443 47.230 1.00 7.81 C ATOM 215 O ILE A 15 1.393 -31.483 47.312 1.00 7.81 O ATOM 216 CB ILE A 15 0.210 -33.673 45.065 1.00 7.81 C ATOM 217 HB ILE A 15 -0.857 -33.623 45.278 1.00 7.81 H ATOM 218 CG1 ILE A 15 0.477 -34.954 44.240 1.00 7.81 C ATOM 219 1HG1 ILE A 15 1.530 -34.973 43.960 1.00 7.81 H ATOM 220 2HG1 ILE A 15 0.282 -35.825 44.861 1.00 7.81 H ATOM 221 CG2 ILE A 15 0.613 -32.427 44.222 1.00 7.81 C ATOM 222 1HG2 ILE A 15 0.004 -32.361 43.321 1.00 7.81 H ATOM 223 2HG2 ILE A 15 1.665 -32.499 43.935 1.00 7.81 H ATOM 224 3HG2 ILE A 15 0.474 -31.512 44.793 1.00 7.81 H ATOM 225 CD1 ILE A 15 -0.369 -35.125 42.968 1.00 7.81 C ATOM 226 1HD1 ILE A 15 -0.177 -36.110 42.543 1.00 7.81 H ATOM 227 2HD1 ILE A 15 -0.100 -34.370 42.229 1.00 7.81 H ATOM 228 3HD1 ILE A 15 -1.429 -35.043 43.210 1.00 7.81 H ATOM 229 N ARG A 16 -0.561 -32.431 47.820 1.00 1.70 N ATOM 230 H ARG A 16 -1.170 -33.235 47.751 1.00 1.70 H ATOM 231 CA ARG A 16 -1.048 -31.311 48.631 1.00 1.70 C ATOM 232 HA ARG A 16 -0.224 -30.775 49.099 1.00 1.70 H ATOM 233 C ARG A 16 -1.897 -32.003 49.669 1.00 1.70 C ATOM 234 O ARG A 16 -2.430 -33.062 49.359 1.00 1.70 O ATOM 235 CB ARG A 16 -1.946 -30.352 47.834 1.00 1.70 C ATOM 236 1HB ARG A 16 -2.725 -30.938 47.347 1.00 1.70 H ATOM 237 2HB ARG A 16 -2.426 -29.675 48.541 1.00 1.70 H ATOM 238 CG ARG A 16 -1.227 -29.505 46.787 1.00 1.70 C ATOM 239 1HG ARG A 16 -0.435 -28.940 47.279 1.00 1.70 H ATOM 240 2HG ARG A 16 -0.781 -30.155 46.038 1.00 1.70 H ATOM 241 CD ARG A 16 -2.172 -28.526 46.097 1.00 1.70 C ATOM 242 1HD ARG A 16 -2.673 -27.925 46.858 1.00 1.70 H ATOM 243 2HD ARG A 16 -1.581 -27.864 45.462 1.00 1.70 H ATOM 244 NE ARG A 16 -3.183 -29.205 45.268 1.00 1.70 N ATOM 245 HE ARG A 16 -3.121 -30.208 45.225 1.00 1.70 H ATOM 246 CZ ARG A 16 -4.154 -28.621 44.576 1.00 1.70 C ATOM 247 NH1 ARG A 16 -4.968 -29.369 43.883 1.00 1.70 N ATOM 248 1HH1 ARG A 16 -4.852 -30.368 43.864 1.00 1.70 H ATOM 249 2HH1 ARG A 16 -5.713 -28.947 43.355 1.00 1.70 H ATOM 250 NH2 ARG A 16 -4.348 -27.326 44.549 1.00 1.70 N ATOM 251 1HH2 ARG A 16 -3.740 -26.722 45.074 1.00 1.70 H ATOM 252 2HH2 ARG A 16 -5.097 -26.935 44.004 1.00 1.70 H ATOM 253 N CYS A 17 -2.058 -31.415 50.841 1.00 -1.53 N ATOM 254 H CYS A 17 -1.586 -30.555 51.051 1.00 -1.53 H ATOM 255 CA CYS A 17 -3.009 -31.939 51.814 1.00 -1.53 C ATOM 256 HA CYS A 17 -2.885 -33.017 51.908 1.00 -1.53 H ATOM 257 C CYS A 17 -4.408 -31.603 51.300 1.00 -1.53 C ATOM 258 O CYS A 17 -4.578 -30.578 50.627 1.00 -1.53 O ATOM 259 CB CYS A 17 -2.803 -31.262 53.173 1.00 -1.53 C ATOM 260 1HB CYS A 17 -2.995 -30.194 53.064 1.00 -1.53 H ATOM 261 2HB CYS A 17 -3.533 -31.661 53.878 1.00 -1.53 H ATOM 262 SG CYS A 17 -1.131 -31.486 53.860 1.00 -1.53 S ATOM 263 N PRO A 18 -5.426 -32.413 51.637 1.00-10.10 N ATOM 264 CA PRO A 18 -6.763 -31.833 51.462 1.00-10.10 C ATOM 265 HA PRO A 18 -6.893 -31.427 50.459 1.00-10.10 H ATOM 266 C PRO A 18 -6.992 -30.749 52.514 1.00-10.10 C ATOM 267 O PRO A 18 -6.310 -30.724 53.533 1.00-10.10 O ATOM 268 CB PRO A 18 -7.680 -33.039 51.679 1.00-10.10 C ATOM 269 1HB PRO A 18 -8.648 -32.732 52.075 1.00-10.10 H ATOM 270 2HB PRO A 18 -7.804 -33.587 50.744 1.00-10.10 H ATOM 271 CG PRO A 18 -6.942 -33.866 52.664 1.00-10.10 C ATOM 272 1HG PRO A 18 -7.073 -33.452 53.662 1.00-10.10 H ATOM 273 2HG PRO A 18 -7.278 -34.903 52.634 1.00-10.10 H ATOM 274 CD PRO A 18 -5.499 -33.755 52.247 1.00-10.10 C ATOM 275 1HD PRO A 18 -4.843 -33.833 53.115 1.00-10.10 H ATOM 276 2HD PRO A 18 -5.258 -34.517 51.506 1.00-10.10 H ATOM 277 N GLY A 19 -7.985 -29.890 52.319 1.00 -9.08 N ATOM 278 H GLY A 19 -8.552 -29.953 51.489 1.00 -9.08 H ATOM 279 CA GLY A 19 -8.255 -28.819 53.275 1.00 -9.08 C ATOM 280 1HA GLY A 19 -7.321 -28.293 53.477 1.00 -9.08 H ATOM 281 2HA GLY A 19 -8.952 -28.112 52.827 1.00 -9.08 H ATOM 282 C GLY A 19 -8.821 -29.273 54.610 1.00 -9.08 C ATOM 283 O GLY A 19 -9.003 -28.492 55.533 1.00 -9.08 O ATOM 284 N SER A 20 -9.075 -30.568 54.727 1.00 3.96 N ATOM 285 H SER A 20 -8.900 -31.175 53.944 1.00 3.96 H ATOM 286 CA SER A 20 -9.535 -31.181 55.967 1.00 3.96 C ATOM 287 HA SER A 20 -10.154 -30.479 56.527 1.00 3.96 H ATOM 288 C SER A 20 -8.347 -31.587 56.839 1.00 3.96 C ATOM 289 O SER A 20 -8.530 -32.202 57.894 1.00 3.96 O ATOM 290 CB SER A 20 -10.363 -32.415 55.616 1.00 3.96 C ATOM 291 1HB SER A 20 -10.686 -32.914 56.529 1.00 3.96 H ATOM 292 2HB SER A 20 -11.240 -32.100 55.050 1.00 3.96 H ATOM 293 OG SER A 20 -9.598 -33.303 54.817 1.00 3.96 O ATOM 294 HG SER A 20 -10.170 -34.018 54.520 1.00 3.96 H ATOM 295 N MET A 21 -7.136 -31.278 56.394 1.00 5.30 N ATOM 296 H MET A 21 -7.026 -30.763 55.523 1.00 5.30 H ATOM 297 CA MET A 21 -5.906 -31.603 57.110 1.00 5.30 C ATOM 298 HA MET A 21 -6.121 -31.836 58.152 1.00 5.30 H ATOM 299 C MET A 21 -4.985 -30.388 57.040 1.00 5.30 C ATOM 300 O MET A 21 -5.161 -29.536 56.176 1.00 5.30 O ATOM 301 CB MET A 21 -5.204 -32.792 56.451 1.00 5.30 C ATOM 302 1HB MET A 21 -4.987 -32.533 55.416 1.00 5.30 H ATOM 303 2HB MET A 21 -4.265 -32.961 56.971 1.00 5.30 H ATOM 304 CG MET A 21 -5.984 -34.092 56.464 1.00 5.30 C ATOM 305 1HG MET A 21 -6.201 -34.365 57.493 1.00 5.30 H ATOM 306 2HG MET A 21 -6.920 -33.956 55.923 1.00 5.30 H ATOM 307 SD MET A 21 -5.039 -35.413 55.687 1.00 5.30 S ATOM 308 CE MET A 21 -6.276 -36.687 55.450 1.00 5.30 C ATOM 309 1HE MET A 21 -5.814 -37.549 54.966 1.00 5.30 H ATOM 310 2HE MET A 21 -7.079 -36.307 54.819 1.00 5.30 H ATOM 311 3HE MET A 21 -6.678 -36.992 56.415 1.00 5.30 H ATOM 312 N LYS A 22 -3.996 -30.310 57.920 1.00-10.40 N ATOM 313 H LYS A 22 -3.894 -31.051 58.616 1.00-10.40 H ATOM 314 CA LYS A 22 -3.032 -29.205 57.927 1.00-10.40 C ATOM 315 HA LYS A 22 -3.329 -28.451 57.199 1.00-10.40 H ATOM 316 C LYS A 22 -1.641 -29.701 57.578 1.00-10.40 C ATOM 317 O LYS A 22 -1.197 -30.704 58.123 1.00-10.40 O ATOM 318 CB LYS A 22 -2.986 -28.569 59.317 1.00-10.40 C ATOM 319 1HB LYS A 22 -2.742 -29.339 60.050 1.00-10.40 H ATOM 320 2HB LYS A 22 -2.195 -27.818 59.327 1.00-10.40 H ATOM 321 CG LYS A 22 -4.289 -27.902 59.721 1.00-10.40 C ATOM 322 1HG LYS A 22 -4.552 -27.156 58.970 1.00-10.40 H ATOM 323 2HG LYS A 22 -5.079 -28.650 59.776 1.00-10.40 H ATOM 324 CD LYS A 22 -4.142 -27.218 61.072 1.00-10.40 C ATOM 325 1HD LYS A 22 -3.907 -27.969 61.829 1.00-10.40 H ATOM 326 2HD LYS A 22 -3.320 -26.503 61.020 1.00-10.40 H ATOM 327 CE LYS A 22 -5.412 -26.473 61.473 1.00-10.40 C ATOM 328 1HE LYS A 22 -5.221 -25.937 62.404 1.00-10.40 H ATOM 329 2HE LYS A 22 -5.661 -25.750 60.694 1.00-10.40 H ATOM 330 NZ LYS A 22 -6.565 -27.407 61.675 1.00-10.40 N ATOM 331 1HZ LYS A 22 -7.380 -26.901 61.984 1.00-10.40 H ATOM 332 2HZ LYS A 22 -6.312 -28.097 62.386 1.00-10.40 H ATOM 333 3HZ LYS A 22 -6.768 -27.896 60.817 1.00-10.40 H ATOM 334 N GLN A 23 -0.938 -29.002 56.699 1.00-10.45 N ATOM 335 H GLN A 23 -1.338 -28.177 56.283 1.00-10.45 H ATOM 336 CA GLN A 23 0.438 -29.371 56.365 1.00-10.45 C ATOM 337 HA GLN A 23 0.482 -30.433 56.122 1.00-10.45 H ATOM 338 C GLN A 23 1.306 -29.097 57.590 1.00-10.45 C ATOM 339 O GLN A 23 1.374 -27.964 58.051 1.00-10.45 O ATOM 340 CB GLN A 23 0.951 -28.542 55.177 1.00-10.45 C ATOM 341 1HB GLN A 23 0.273 -28.673 54.334 1.00-10.45 H ATOM 342 2HB GLN A 23 0.932 -27.492 55.468 1.00-10.45 H ATOM 343 CG GLN A 23 2.376 -28.891 54.720 1.00-10.45 C ATOM 344 1HG GLN A 23 3.034 -28.898 55.588 1.00-10.45 H ATOM 345 2HG GLN A 23 2.379 -29.885 54.273 1.00-10.45 H ATOM 346 CD GLN A 23 2.937 -27.888 53.727 1.00-10.45 C ATOM 347 OE1 GLN A 23 3.053 -28.152 52.534 1.00-10.45 O ATOM 348 NE2 GLN A 23 3.310 -26.734 54.213 1.00-10.45 N ATOM 349 1HE2 GLN A 23 3.693 -26.046 53.588 1.00-10.45 H ATOM 350 2HE2 GLN A 23 3.208 -26.538 55.197 1.00-10.45 H ATOM 351 N ILE A 24 1.977 -30.122 58.094 1.00 -0.98 N ATOM 352 H ILE A 24 1.847 -31.047 57.686 1.00 -0.98 H ATOM 353 CA ILE A 24 2.872 -29.991 59.247 1.00 -0.98 C ATOM 354 HA ILE A 24 2.933 -28.942 59.538 1.00 -0.98 H ATOM 355 C ILE A 24 4.294 -30.434 58.902 1.00 -0.98 C ATOM 356 O ILE A 24 5.151 -30.571 59.770 1.00 -0.98 O ATOM 357 CB ILE A 24 2.344 -30.790 60.468 1.00 -0.98 C ATOM 358 HB ILE A 24 3.072 -30.689 61.273 1.00 -0.98 H ATOM 359 CG1 ILE A 24 2.202 -32.284 60.119 1.00 -0.98 C ATOM 360 1HG1 ILE A 24 1.250 -32.443 59.612 1.00 -0.98 H ATOM 361 2HG1 ILE A 24 2.997 -32.566 59.434 1.00 -0.98 H ATOM 362 CG2 ILE A 24 1.005 -30.192 60.968 1.00 -0.98 C ATOM 363 1HG2 ILE A 24 0.706 -30.674 61.896 1.00 -0.98 H ATOM 364 2HG2 ILE A 24 0.222 -30.331 60.223 1.00 -0.98 H ATOM 365 3HG2 ILE A 24 1.127 -29.123 61.152 1.00 -0.98 H ATOM 366 CD1 ILE A 24 2.293 -33.210 61.316 1.00 -0.98 C ATOM 367 1HD1 ILE A 24 2.143 -34.240 60.994 1.00 -0.98 H ATOM 368 2HD1 ILE A 24 1.539 -32.956 62.054 1.00 -0.98 H ATOM 369 3HD1 ILE A 24 3.281 -33.119 61.763 1.00 -0.98 H ATOM 370 N GLY A 25 4.544 -30.680 57.625 1.00 -4.15 N ATOM 371 H GLY A 25 3.813 -30.595 56.935 1.00 -4.15 H ATOM 372 CA GLY A 25 5.863 -31.095 57.185 1.00 -4.15 C ATOM 373 1HA GLY A 25 6.510 -30.225 57.074 1.00 -4.15 H ATOM 374 2HA GLY A 25 6.295 -31.771 57.924 1.00 -4.15 H ATOM 375 C GLY A 25 5.748 -31.824 55.868 1.00 -4.15 C ATOM 376 O GLY A 25 4.728 -31.708 55.180 1.00 -4.15 O ATOM 377 N THR A 26 6.757 -32.616 55.541 1.00 5.92 N ATOM 378 H THR A 26 7.574 -32.668 56.132 1.00 5.92 H ATOM 379 CA THR A 26 6.740 -33.476 54.363 1.00 5.92 C ATOM 380 HA THR A 26 5.746 -33.499 53.927 1.00 5.92 H ATOM 381 C THR A 26 7.122 -34.882 54.806 1.00 5.92 C ATOM 382 O THR A 26 7.769 -35.072 55.843 1.00 5.92 O ATOM 383 CB THR A 26 7.749 -33.003 53.292 1.00 5.92 C ATOM 384 HB THR A 26 7.743 -33.699 52.454 1.00 5.92 H ATOM 385 OG1 THR A 26 9.056 -32.969 53.869 1.00 5.92 O ATOM 386 HG1 THR A 26 9.637 -32.487 53.273 1.00 5.92 H ATOM 387 CG2 THR A 26 7.425 -31.609 52.780 1.00 5.92 C ATOM 388 1HG2 THR A 26 8.089 -31.367 51.951 1.00 5.92 H ATOM 389 2HG2 THR A 26 7.561 -30.875 53.575 1.00 5.92 H ATOM 390 3HG2 THR A 26 6.394 -31.577 52.428 1.00 5.92 H ATOM 391 N CYS A 27 6.772 -35.877 54.008 1.00 20.34 N ATOM 392 H CYS A 27 6.219 -35.680 53.170 1.00 20.34 H ATOM 393 CA CYS A 27 7.209 -37.245 54.253 1.00 20.34 C ATOM 394 HA CYS A 27 7.450 -37.358 55.308 1.00 20.34 H ATOM 395 C CYS A 27 8.472 -37.519 53.448 1.00 20.34 C ATOM 396 O CYS A 27 8.971 -38.630 53.477 1.00 20.34 O ATOM 397 CB CYS A 27 6.118 -38.259 53.928 1.00 20.34 C ATOM 398 1HB CYS A 27 5.795 -38.130 52.900 1.00 20.34 H ATOM 399 2HB CYS A 27 6.524 -39.263 54.044 1.00 20.34 H ATOM 400 SG CYS A 27 4.702 -38.073 55.051 1.00 20.34 S ATOM 401 N VAL A 28 8.994 -36.485 52.799 1.00 38.70 N ATOM 402 H VAL A 28 8.475 -35.620 52.799 1.00 38.70 H ATOM 403 CA VAL A 28 10.286 -36.457 52.089 1.00 38.70 C ATOM 404 HA VAL A 28 10.401 -35.421 51.770 1.00 38.70 H ATOM 405 C VAL A 28 10.358 -37.242 50.773 1.00 38.70 C ATOM 406 O VAL A 28 11.269 -37.048 49.972 1.00 38.70 O ATOM 407 CB VAL A 28 11.490 -36.708 53.066 1.00 38.70 C ATOM 408 HB VAL A 28 11.094 -36.661 54.078 1.00 38.70 H ATOM 409 CG1 VAL A 28 12.164 -38.084 52.897 1.00 38.70 C ATOM 410 1HG1 VAL A 28 12.910 -38.224 53.678 1.00 38.70 H ATOM 411 2HG1 VAL A 28 12.665 -38.139 51.927 1.00 38.70 H ATOM 412 3HG1 VAL A 28 11.426 -38.882 52.959 1.00 38.70 H ATOM 413 CG2 VAL A 28 12.521 -35.590 52.943 1.00 38.70 C ATOM 414 1HG2 VAL A 28 13.324 -35.745 53.666 1.00 38.70 H ATOM 415 2HG2 VAL A 28 12.056 -34.625 53.144 1.00 38.70 H ATOM 416 3HG2 VAL A 28 12.946 -35.583 51.936 1.00 38.70 H ATOM 417 N GLY A 29 9.323 -38.014 50.474 1.00 23.66 N ATOM 418 H GLY A 29 8.630 -38.215 51.172 1.00 23.66 H ATOM 419 CA GLY A 29 9.129 -38.484 49.112 1.00 23.66 C ATOM 420 1HA GLY A 29 10.044 -38.956 48.754 1.00 23.66 H ATOM 421 2HA GLY A 29 8.310 -39.201 49.076 1.00 23.66 H ATOM 422 C GLY A 29 8.797 -37.292 48.228 1.00 23.66 C ATOM 423 O GLY A 29 8.435 -36.231 48.743 1.00 23.66 O ATOM 424 N ARG A 30 8.894 -37.451 46.912 1.00-16.12 N ATOM 425 H ARG A 30 9.141 -38.359 46.552 1.00-16.12 H ATOM 426 CA ARG A 30 8.667 -36.355 45.957 1.00-16.12 C ATOM 427 HA ARG A 30 9.439 -35.602 46.109 1.00-16.12 H ATOM 428 C ARG A 30 7.308 -35.687 46.158 1.00-16.12 C ATOM 429 O ARG A 30 6.286 -36.297 45.892 1.00-16.12 O ATOM 430 CB ARG A 30 8.764 -36.892 44.522 1.00-16.12 C ATOM 431 1HB ARG A 30 9.719 -37.404 44.405 1.00-16.12 H ATOM 432 2HB ARG A 30 7.966 -37.620 44.374 1.00-16.12 H ATOM 433 CG ARG A 30 8.643 -35.825 43.433 1.00-16.12 C ATOM 434 1HG ARG A 30 7.699 -35.291 43.553 1.00-16.12 H ATOM 435 2HG ARG A 30 9.468 -35.118 43.524 1.00-16.12 H ATOM 436 CD ARG A 30 8.668 -36.460 42.049 1.00-16.12 C ATOM 437 1HD ARG A 30 9.610 -36.995 41.923 1.00-16.12 H ATOM 438 2HD ARG A 30 7.844 -37.172 41.977 1.00-16.12 H ATOM 439 NE ARG A 30 8.528 -35.454 40.983 1.00-16.12 N ATOM 440 HE ARG A 30 8.447 -34.496 41.284 1.00-16.12 H ATOM 441 CZ ARG A 30 8.490 -35.691 39.677 1.00-16.12 C ATOM 442 NH1 ARG A 30 8.369 -34.682 38.859 1.00-16.12 N ATOM 443 1HH1 ARG A 30 8.297 -33.744 39.213 1.00-16.12 H ATOM 444 2HH1 ARG A 30 8.343 -34.841 37.866 1.00-16.12 H ATOM 445 NH2 ARG A 30 8.565 -36.890 39.155 1.00-16.12 N ATOM 446 1HH2 ARG A 30 8.645 -37.690 39.758 1.00-16.12 H ATOM 447 2HH2 ARG A 30 8.538 -37.013 38.158 1.00-16.12 H ATOM 448 N ALA A 31 7.351 -34.451 46.647 1.00 37.94 N ATOM 449 H ALA A 31 8.257 -34.071 46.857 1.00 37.94 H ATOM 450 CA ALA A 31 6.193 -33.608 46.983 1.00 37.94 C ATOM 451 HA ALA A 31 6.598 -32.680 47.384 1.00 37.94 H ATOM 452 C ALA A 31 5.257 -34.160 48.072 1.00 37.94 C ATOM 453 O ALA A 31 4.246 -33.529 48.386 1.00 37.94 O ATOM 454 CB ALA A 31 5.397 -33.238 45.710 1.00 37.94 C ATOM 455 1HB ALA A 31 6.064 -32.824 44.956 1.00 37.94 H ATOM 456 2HB ALA A 31 4.631 -32.503 45.961 1.00 37.94 H ATOM 457 3HB ALA A 31 4.903 -34.130 45.316 1.00 37.94 H ATOM 458 N VAL A 32 5.603 -35.290 48.673 1.00 14.22 N ATOM 459 H VAL A 32 6.492 -35.722 48.456 1.00 14.22 H ATOM 460 CA VAL A 32 4.711 -35.955 49.616 1.00 14.22 C ATOM 461 HA VAL A 32 3.715 -35.952 49.179 1.00 14.22 H ATOM 462 C VAL A 32 4.666 -35.149 50.901 1.00 14.22 C ATOM 463 O VAL A 32 5.672 -34.959 51.592 1.00 14.22 O ATOM 464 CB VAL A 32 5.119 -37.428 49.895 1.00 14.22 C ATOM 465 HB VAL A 32 6.088 -37.437 50.395 1.00 14.22 H ATOM 466 CG1 VAL A 32 4.089 -38.126 50.798 1.00 14.22 C ATOM 467 1HG1 VAL A 32 4.420 -39.141 51.016 1.00 14.22 H ATOM 468 2HG1 VAL A 32 3.119 -38.170 50.305 1.00 14.22 H ATOM 469 3HG1 VAL A 32 3.976 -37.583 51.736 1.00 14.22 H ATOM 470 CG2 VAL A 32 5.246 -38.225 48.586 1.00 14.22 C ATOM 471 1HG2 VAL A 32 5.455 -39.272 48.800 1.00 14.22 H ATOM 472 2HG2 VAL A 32 6.057 -37.827 47.983 1.00 14.22 H ATOM 473 3HG2 VAL A 32 4.325 -38.153 48.006 1.00 14.22 H ATOM 474 N LYS A 33 3.486 -34.643 51.207 1.00 -2.55 N ATOM 475 H LYS A 33 2.691 -34.884 50.617 1.00 -2.55 H ATOM 476 CA LYS A 33 3.248 -33.782 52.355 1.00 -2.55 C ATOM 477 HA LYS A 33 4.110 -33.142 52.532 1.00 -2.55 H ATOM 478 C LYS A 33 2.991 -34.649 53.564 1.00 -2.55 C ATOM 479 O LYS A 33 2.601 -35.798 53.420 1.00 -2.55 O ATOM 480 CB LYS A 33 1.999 -32.939 52.092 1.00 -2.55 C ATOM 481 1HB LYS A 33 1.148 -33.615 52.008 1.00 -2.55 H ATOM 482 2HB LYS A 33 1.834 -32.286 52.949 1.00 -2.55 H ATOM 483 CG LYS A 33 2.039 -32.090 50.832 1.00 -2.55 C ATOM 484 1HG LYS A 33 2.149 -32.727 49.955 1.00 -2.55 H ATOM 485 2HG LYS A 33 1.094 -31.557 50.756 1.00 -2.55 H ATOM 486 CD LYS A 33 3.167 -31.078 50.866 1.00 -2.55 C ATOM 487 1HD LYS A 33 3.095 -30.520 51.795 1.00 -2.55 H ATOM 488 2HD LYS A 33 4.130 -31.587 50.826 1.00 -2.55 H ATOM 489 CE LYS A 33 3.065 -30.122 49.695 1.00 -2.55 C ATOM 490 1HE LYS A 33 3.228 -30.675 48.765 1.00 -2.55 H ATOM 491 2HE LYS A 33 2.065 -29.688 49.675 1.00 -2.55 H ATOM 492 NZ LYS A 33 4.072 -29.027 49.833 1.00 -2.55 N ATOM 493 1HZ LYS A 33 3.987 -28.385 49.058 1.00 -2.55 H ATOM 494 2HZ LYS A 33 5.002 -29.419 49.846 1.00 -2.55 H ATOM 495 3HZ LYS A 33 3.902 -28.529 50.703 1.00 -2.55 H ATOM 496 N CYS A 34 3.164 -34.076 54.741 1.00-18.18 N ATOM 497 H CYS A 34 3.515 -33.124 54.792 1.00-18.18 H ATOM 498 CA CYS A 34 2.758 -34.701 55.989 1.00-18.18 C ATOM 499 HA CYS A 34 2.407 -35.720 55.821 1.00-18.18 H ATOM 500 C CYS A 34 1.609 -33.832 56.478 1.00-18.18 C ATOM 501 O CYS A 34 1.788 -32.625 56.680 1.00-18.18 O ATOM 502 CB CYS A 34 3.907 -34.698 56.995 1.00-18.18 C ATOM 503 1HB CYS A 34 4.746 -35.258 56.585 1.00-18.18 H ATOM 504 2HB CYS A 34 4.216 -33.668 57.166 1.00-18.18 H ATOM 505 SG CYS A 34 3.427 -35.416 58.590 1.00-18.18 S ATOM 506 N CYS A 35 0.429 -34.421 56.572 1.00 -8.05 N ATOM 507 H CYS A 35 0.350 -35.420 56.384 1.00 -8.05 H ATOM 508 CA CYS A 35 -0.807 -33.690 56.812 1.00 -8.05 C ATOM 509 HA CYS A 35 -0.591 -32.629 56.885 1.00 -8.05 H ATOM 510 C CYS A 35 -1.512 -34.152 58.083 1.00 -8.05 C ATOM 511 O CYS A 35 -2.010 -35.272 58.151 1.00 -8.05 O ATOM 512 CB CYS A 35 -1.718 -33.923 55.613 1.00 -8.05 C ATOM 513 1HB CYS A 35 -1.985 -34.981 55.585 1.00 -8.05 H ATOM 514 2HB CYS A 35 -2.623 -33.340 55.730 1.00 -8.05 H ATOM 515 SG CYS A 35 -0.931 -33.497 54.033 1.00 -8.05 S ATOM 516 N ARG A 36 -1.538 -33.320 59.111 1.00 -8.61 N ATOM 517 H ARG A 36 -1.162 -32.379 58.998 1.00 -8.61 H ATOM 518 CA ARG A 36 -2.169 -33.694 60.377 1.00 -8.61 C ATOM 519 HA ARG A 36 -1.948 -34.732 60.606 1.00 -8.61 H ATOM 520 C ARG A 36 -3.670 -33.541 60.224 1.00 -8.61 C ATOM 521 O ARG A 36 -4.141 -32.561 59.659 1.00 -8.61 O ATOM 522 CB ARG A 36 -1.641 -32.813 61.505 1.00 -8.61 C ATOM 523 1HB ARG A 36 -0.560 -32.813 61.449 1.00 -8.61 H ATOM 524 2HB ARG A 36 -1.993 -31.794 61.342 1.00 -8.61 H ATOM 525 CG ARG A 36 -2.049 -33.260 62.909 1.00 -8.61 C ATOM 526 1HG ARG A 36 -3.133 -33.266 62.976 1.00 -8.61 H ATOM 527 2HG ARG A 36 -1.680 -34.263 63.107 1.00 -8.61 H ATOM 528 CD ARG A 36 -1.514 -32.314 63.958 1.00 -8.61 C ATOM 529 1HD ARG A 36 -1.631 -31.290 63.598 1.00 -8.61 H ATOM 530 2HD ARG A 36 -2.100 -32.434 64.869 1.00 -8.61 H ATOM 531 NE ARG A 36 -0.105 -32.596 64.262 1.00 -8.61 N ATOM 532 HE ARG A 36 0.229 -33.529 64.043 1.00 -8.61 H ATOM 533 CZ ARG A 36 0.774 -31.768 64.804 1.00 -8.61 C ATOM 534 NH1 ARG A 36 1.973 -32.217 65.027 1.00 -8.61 N ATOM 535 1HH1 ARG A 36 2.172 -33.188 64.815 1.00 -8.61 H ATOM 536 2HH1 ARG A 36 2.682 -31.620 65.413 1.00 -8.61 H ATOM 537 NH2 ARG A 36 0.508 -30.527 65.117 1.00 -8.61 N ATOM 538 1HH2 ARG A 36 -0.418 -30.167 64.954 1.00 -8.61 H ATOM 539 2HH2 ARG A 36 1.219 -29.939 65.511 1.00 -8.61 H ATOM 540 N LYS A 37 -4.430 -34.499 60.734 1.00 16.70 N ATOM 541 H LYS A 37 -3.975 -35.286 61.176 1.00 16.70 H ATOM 542 CA LYS A 37 -5.896 -34.484 60.654 1.00 16.70 C ATOM 543 HA LYS A 37 -6.166 -34.179 59.645 1.00 16.70 H ATOM 544 C LYS A 37 -6.558 -33.476 61.615 1.00 16.70 C ATOM 545 O LYS A 37 -7.785 -33.380 61.682 1.00 16.70 O ATOM 546 CB LYS A 37 -6.375 -35.935 60.879 1.00 16.70 C ATOM 547 1HB LYS A 37 -5.785 -36.579 60.226 1.00 16.70 H ATOM 548 2HB LYS A 37 -6.146 -36.213 61.909 1.00 16.70 H ATOM 549 CG LYS A 37 -7.862 -36.259 60.625 1.00 16.70 C ATOM 550 1HG LYS A 37 -8.025 -37.317 60.829 1.00 16.70 H ATOM 551 2HG LYS A 37 -8.465 -35.701 61.336 1.00 16.70 H ATOM 552 CD LYS A 37 -8.360 -35.961 59.200 1.00 16.70 C ATOM 553 1HD LYS A 37 -7.712 -35.244 58.708 1.00 16.70 H ATOM 554 2HD LYS A 37 -8.345 -36.888 58.625 1.00 16.70 H ATOM 555 CE LYS A 37 -9.781 -35.395 59.214 1.00 16.70 C ATOM 556 1HE LYS A 37 -10.177 -35.404 58.197 1.00 16.70 H ATOM 557 2HE LYS A 37 -10.410 -36.030 59.841 1.00 16.70 H ATOM 558 NZ LYS A 37 -9.806 -33.979 59.737 1.00 16.70 N ATOM 559 1HZ LYS A 37 -10.755 -33.659 59.859 1.00 16.70 H ATOM 560 2HZ LYS A 37 -9.331 -33.359 59.085 1.00 16.70 H ATOM 561 3HZ LYS A 37 -9.312 -33.921 60.624 1.00 16.70 H ATOM 562 N LYS A 38 -5.767 -32.714 62.353 1.00-10.75 N ATOM 563 H LYS A 38 -4.769 -32.720 62.199 1.00-10.75 H ATOM 564 CA LYS A 38 -6.249 -31.720 63.309 1.00-10.75 C ATOM 565 HA LYS A 38 -7.271 -31.417 63.086 1.00-10.75 H ATOM 566 C LYS A 38 -5.328 -30.544 63.086 1.00-10.75 C ATOM 567 O LYS A 38 -4.237 -30.817 62.553 1.00-10.75 O ATOM 568 OXT LYS A 38 -5.692 -29.400 63.405 1.00-10.75 O ATOM 569 CB LYS A 38 -6.136 -32.198 64.759 1.00-10.75 C ATOM 570 1HB LYS A 38 -5.121 -32.551 64.939 1.00-10.75 H ATOM 571 2HB LYS A 38 -6.319 -31.338 65.404 1.00-10.75 H ATOM 572 CG LYS A 38 -7.124 -33.288 65.140 1.00-10.75 C ATOM 573 1HG LYS A 38 -8.128 -32.963 64.868 1.00-10.75 H ATOM 574 2HG LYS A 38 -6.884 -34.205 64.601 1.00-10.75 H ATOM 575 CD LYS A 38 -7.082 -33.553 66.637 1.00-10.75 C ATOM 576 1HD LYS A 38 -6.073 -33.860 66.916 1.00-10.75 H ATOM 577 2HD LYS A 38 -7.331 -32.631 67.163 1.00-10.75 H ATOM 578 CE LYS A 38 -8.075 -34.638 67.031 1.00-10.75 C ATOM 579 1HE LYS A 38 -9.073 -34.340 66.700 1.00-10.75 H ATOM 580 2HE LYS A 38 -7.802 -35.569 66.528 1.00-10.75 H ATOM 581 NZ LYS A 38 -8.085 -34.853 68.519 1.00-10.75 N ATOM 582 1HZ LYS A 38 -8.745 -35.582 68.757 1.00-10.75 H ATOM 583 2HZ LYS A 38 -8.354 -33.997 68.986 1.00-10.75 H ATOM 584 3HZ LYS A 38 -7.163 -35.125 68.833 1.00-10.75 H TER 585 LYS A 38 CONECT 67 64 505 CONECT 179 176 400 CONECT 262 259 515 CONECT 400 179 397 CONECT 505 67 502 CONECT 515 262 512 END
SEQUENCE	NPVSCVRNKGICVPIRCPGSMKQIGTCVGRAVKCCRKK
HELICITY	39.50	INSTAB. INDEX	32.83	FLEXIBILITY	12.28
a HYD. MOM.	73.00	b HYD. MOM.	39.25	c HYD. MOM	8.21
a MEAN HYD. MOM.	1.92	b MEAN HYD. MOM.	1.03	c MEAN HYD. MOM.	0.22
CHARGE pH5	9.00	CHARGE pH7	8.73	CHARGE pH9	3.73
Δ CHARGE pH5-pH9	5.27	ISOELECTRIC POINT	10.00	BOMAN INDEX	1.71
ΔG	24	CPP	0,04	MLP	-16,81
MOLECULAR VOLUME		POLARITY
MIC E. coli	3	MIC P. aeruginosa	7	MIC S. typhimurium
MIC S. aureus	7	MIC M. luteus		MIC B. subtilis
MIC C. albicans	2	OTHER
MIC OTHER gram+
MIC OTHER gram-	K. pneumoniae 13883 = 3.25
PHYLUM	Chordata	CLASS	Mammalia	ORDER	Artiodactyla
FAMILY	Bovidae	GENUS	Bos	SPECIES	Bos taurus
DATE	1991
TITLE PAPER	Tracheal antimicrobial peptide, a cysteine-rich peptide from mammalian tracheal mucosa: peptide isolation and cloning of a cDNA.