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ID	2304	NAME	hBD-2   Blast NCBI-PROT
LENGTH	39	DISULFIDE BRIDGE			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\DPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKPP.pdb REMARK YASARA Written on: Wed May 14 18:21:04 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 591 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 39 ASP PRO VAL THR CYS LEU LYS SER GLY ALA ILE CYS HIS SEQRES 2 A 39 PRO VAL PHE CYS PRO ARG ARG TYR LYS GLN ILE GLY THR SEQRES 3 A 39 CYS GLY LEU PRO GLY THR LYS CYS CYS LYS LYS PRO PRO 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 2.02 ATOM 1 N ASP A 1 -28.143 -25.905 36.545 1.00 -0.62 N ATOM 2 1H ASP A 1 -27.154 -25.735 36.434 1.00 -0.62 H ATOM 3 2H ASP A 1 -28.532 -25.238 37.197 1.00 -0.62 H ATOM 4 3H ASP A 1 -28.606 -25.804 35.650 1.00 -0.62 H ATOM 5 CA ASP A 1 -28.361 -27.280 37.058 1.00 -0.62 C ATOM 6 HA ASP A 1 -27.965 -28.002 36.348 1.00 -0.62 H ATOM 7 C ASP A 1 -29.848 -27.536 37.279 1.00 -0.62 C ATOM 8 O ASP A 1 -30.467 -26.850 38.100 1.00 -0.62 O ATOM 9 CB ASP A 1 -27.627 -27.447 38.387 1.00 -0.62 C ATOM 10 1HB ASP A 1 -26.552 -27.461 38.207 1.00 -0.62 H ATOM 11 2HB ASP A 1 -27.863 -26.592 39.022 1.00 -0.62 H ATOM 12 CG ASP A 1 -28.042 -28.705 39.108 1.00 -0.62 C ATOM 13 OD1 ASP A 1 -28.369 -29.698 38.440 1.00 -0.62 O ATOM 14 OD2 ASP A 1 -28.178 -28.662 40.342 1.00 -0.62 O ATOM 15 N PRO A 2 -30.446 -28.520 36.580 1.00 12.88 N ATOM 16 CA PRO A 2 -31.869 -28.745 36.857 1.00 12.88 C ATOM 17 HA PRO A 2 -32.426 -27.817 36.731 1.00 12.88 H ATOM 18 C PRO A 2 -32.184 -29.315 38.241 1.00 12.88 C ATOM 19 O PRO A 2 -33.301 -29.151 38.715 1.00 12.88 O ATOM 20 CB PRO A 2 -32.270 -29.739 35.764 1.00 12.88 C ATOM 21 1HB PRO A 2 -33.084 -30.382 36.099 1.00 12.88 H ATOM 22 2HB PRO A 2 -32.553 -29.211 34.855 1.00 12.88 H ATOM 23 CG PRO A 2 -31.035 -30.517 35.523 1.00 12.88 C ATOM 24 1HG PRO A 2 -30.888 -31.247 36.319 1.00 12.88 H ATOM 25 2HG PRO A 2 -31.067 -31.012 34.553 1.00 12.88 H ATOM 26 CD PRO A 2 -29.957 -29.467 35.557 1.00 12.88 C ATOM 27 1HD PRO A 2 -29.004 -29.912 35.849 1.00 12.88 H ATOM 28 2HD PRO A 2 -29.874 -28.969 34.589 1.00 12.88 H ATOM 29 N VAL A 3 -31.242 -29.948 38.928 1.00-12.84 N ATOM 30 H VAL A 3 -30.299 -30.067 38.552 1.00-12.84 H ATOM 31 CA VAL A 3 -31.549 -30.504 40.245 1.00-12.84 C ATOM 32 HA VAL A 3 -32.487 -31.054 40.173 1.00-12.84 H ATOM 33 C VAL A 3 -31.737 -29.346 41.221 1.00-12.84 C ATOM 34 O VAL A 3 -32.662 -29.329 42.017 1.00-12.84 O ATOM 35 CB VAL A 3 -30.445 -31.482 40.739 1.00-12.84 C ATOM 36 HB VAL A 3 -29.530 -30.921 40.919 1.00-12.84 H ATOM 37 CG1 VAL A 3 -30.865 -32.179 42.043 1.00-12.84 C ATOM 38 1HG1 VAL A 3 -30.053 -32.818 42.395 1.00-12.84 H ATOM 39 2HG1 VAL A 3 -31.750 -32.795 41.868 1.00-12.84 H ATOM 40 3HG1 VAL A 3 -31.097 -31.446 42.810 1.00-12.84 H ATOM 41 CG2 VAL A 3 -30.153 -32.549 39.670 1.00-12.84 C ATOM 42 1HG2 VAL A 3 -29.451 -33.285 40.065 1.00-12.84 H ATOM 43 2HG2 VAL A 3 -29.691 -32.090 38.796 1.00-12.84 H ATOM 44 3HG2 VAL A 3 -31.072 -33.056 39.373 1.00-12.84 H ATOM 45 N THR A 4 -30.899 -28.326 41.130 1.00-15.66 N ATOM 46 H THR A 4 -30.100 -28.391 40.504 1.00-15.66 H ATOM 47 CA THR A 4 -31.073 -27.117 41.937 1.00-15.66 C ATOM 48 HA THR A 4 -31.221 -27.425 42.962 1.00-15.66 H ATOM 49 C THR A 4 -32.327 -26.337 41.551 1.00-15.66 C ATOM 50 O THR A 4 -32.967 -25.746 42.418 1.00-15.66 O ATOM 51 CB THR A 4 -29.795 -26.251 41.905 1.00-15.66 C ATOM 52 HB THR A 4 -29.598 -25.916 40.886 1.00-15.66 H ATOM 53 OG1 THR A 4 -28.707 -27.056 42.372 1.00-15.66 O ATOM 54 HG1 THR A 4 -28.424 -27.632 41.631 1.00-15.66 H ATOM 55 CG2 THR A 4 -29.858 -25.052 42.835 1.00-15.66 C ATOM 56 1HG2 THR A 4 -28.889 -24.552 42.844 1.00-15.66 H ATOM 57 2HG2 THR A 4 -30.108 -25.369 43.847 1.00-15.66 H ATOM 58 3HG2 THR A 4 -30.613 -24.347 42.483 1.00-15.66 H ATOM 59 N CYS A 5 -32.757 -26.428 40.300 1.00 -8.39 N ATOM 60 H CYS A 5 -32.204 -26.912 39.607 1.00 -8.39 H ATOM 61 CA CYS A 5 -34.057 -25.871 39.926 1.00 -8.39 C ATOM 62 HA CYS A 5 -34.067 -24.811 40.181 1.00 -8.39 H ATOM 63 C CYS A 5 -35.150 -26.575 40.750 1.00 -8.39 C ATOM 64 O CYS A 5 -35.937 -25.917 41.429 1.00 -8.39 O ATOM 65 CB CYS A 5 -34.285 -26.018 38.414 1.00 -8.39 C ATOM 66 1HB CYS A 5 -33.400 -25.655 37.893 1.00 -8.39 H ATOM 67 2HB CYS A 5 -34.410 -27.074 38.182 1.00 -8.39 H ATOM 68 SG CYS A 5 -35.731 -25.130 37.756 1.00 -8.39 S ATOM 69 N LEU A 6 -35.128 -27.900 40.817 1.00 -8.28 N ATOM 70 H LEU A 6 -34.442 -28.423 40.282 1.00 -8.28 H ATOM 71 CA LEU A 6 -36.098 -28.634 41.640 1.00 -8.28 C ATOM 72 HA LEU A 6 -37.100 -28.359 41.316 1.00 -8.28 H ATOM 73 C LEU A 6 -36.008 -28.287 43.129 1.00 -8.28 C ATOM 74 O LEU A 6 -37.034 -28.152 43.793 1.00 -8.28 O ATOM 75 CB LEU A 6 -35.929 -30.147 41.452 1.00 -8.28 C ATOM 76 1HB LEU A 6 -34.916 -30.408 41.747 1.00 -8.28 H ATOM 77 2HB LEU A 6 -36.608 -30.646 42.145 1.00 -8.28 H ATOM 78 CG LEU A 6 -36.179 -30.729 40.051 1.00 -8.28 C ATOM 79 HG LEU A 6 -35.595 -30.168 39.327 1.00 -8.28 H ATOM 80 CD1 LEU A 6 -35.705 -32.181 40.013 1.00 -8.28 C ATOM 81 1HD1 LEU A 6 -35.846 -32.586 39.011 1.00 -8.28 H ATOM 82 2HD1 LEU A 6 -36.270 -32.783 40.727 1.00 -8.28 H ATOM 83 3HD1 LEU A 6 -34.645 -32.228 40.259 1.00 -8.28 H ATOM 84 CD2 LEU A 6 -37.649 -30.664 39.635 1.00 -8.28 C ATOM 85 1HD2 LEU A 6 -37.772 -31.104 38.646 1.00 -8.28 H ATOM 86 2HD2 LEU A 6 -37.972 -29.624 39.593 1.00 -8.28 H ATOM 87 3HD2 LEU A 6 -38.269 -31.202 40.352 1.00 -8.28 H ATOM 88 N LYS A 7 -34.806 -28.066 43.652 1.00-26.44 N ATOM 89 H LYS A 7 -33.992 -28.175 43.055 1.00-26.44 H ATOM 90 CA LYS A 7 -34.632 -27.665 45.062 1.00-26.44 C ATOM 91 HA LYS A 7 -35.100 -28.413 45.703 1.00-26.44 H ATOM 92 C LYS A 7 -35.294 -26.326 45.371 1.00-26.44 C ATOM 93 O LYS A 7 -35.665 -26.071 46.508 1.00-26.44 O ATOM 94 CB LYS A 7 -33.152 -27.517 45.444 1.00-26.44 C ATOM 95 1HB LYS A 7 -32.722 -26.764 44.787 1.00-26.44 H ATOM 96 2HB LYS A 7 -33.096 -27.135 46.464 1.00-26.44 H ATOM 97 CG LYS A 7 -32.293 -28.774 45.361 1.00-26.44 C ATOM 98 1HG LYS A 7 -32.583 -29.487 46.132 1.00-26.44 H ATOM 99 2HG LYS A 7 -32.439 -29.231 44.393 1.00-26.44 H ATOM 100 CD LYS A 7 -30.813 -28.408 45.505 1.00-26.44 C ATOM 101 1HD LYS A 7 -30.636 -27.474 44.977 1.00-26.44 H ATOM 102 2HD LYS A 7 -30.564 -28.261 46.557 1.00-26.44 H ATOM 103 CE LYS A 7 -29.915 -29.475 44.883 1.00-26.44 C ATOM 104 1HE LYS A 7 -29.920 -30.366 45.515 1.00-26.44 H ATOM 105 2HE LYS A 7 -30.323 -29.739 43.906 1.00-26.44 H ATOM 106 NZ LYS A 7 -28.506 -28.980 44.685 1.00-26.44 N ATOM 107 1HZ LYS A 7 -27.933 -29.716 44.292 1.00-26.44 H ATOM 108 2HZ LYS A 7 -28.112 -28.684 45.567 1.00-26.44 H ATOM 109 3HZ LYS A 7 -28.507 -28.195 44.039 1.00-26.44 H ATOM 110 N SER A 8 -35.435 -25.464 44.376 1.00-16.98 N ATOM 111 H SER A 8 -35.101 -25.713 43.452 1.00-16.98 H ATOM 112 CA SER A 8 -36.049 -24.151 44.582 1.00-16.98 C ATOM 113 HA SER A 8 -35.830 -23.824 45.599 1.00-16.98 H ATOM 114 C SER A 8 -37.569 -24.173 44.422 1.00-16.98 C ATOM 115 O SER A 8 -38.222 -23.132 44.519 1.00-16.98 O ATOM 116 CB SER A 8 -35.437 -23.124 43.626 1.00-16.98 C ATOM 117 1HB SER A 8 -35.785 -22.129 43.908 1.00-16.98 H ATOM 118 2HB SER A 8 -34.352 -23.154 43.721 1.00-16.98 H ATOM 119 OG SER A 8 -35.795 -23.358 42.276 1.00-16.98 O ATOM 120 HG SER A 8 -35.702 -24.300 42.066 1.00-16.98 H ATOM 121 N GLY A 9 -38.142 -25.345 44.168 1.00-11.56 N ATOM 122 H GLY A 9 -37.584 -26.194 44.135 1.00-11.56 H ATOM 123 CA GLY A 9 -39.576 -25.442 43.935 1.00-11.56 C ATOM 124 1HA GLY A 9 -39.908 -26.456 44.156 1.00-11.56 H ATOM 125 2HA GLY A 9 -40.100 -24.745 44.589 1.00-11.56 H ATOM 126 C GLY A 9 -39.918 -25.112 42.497 1.00-11.56 C ATOM 127 O GLY A 9 -41.027 -24.663 42.174 1.00-11.56 O ATOM 128 N ALA A 10 -38.944 -25.302 41.619 1.00 2.79 N ATOM 129 H ALA A 10 -38.064 -25.711 41.910 1.00 2.79 H ATOM 130 CA ALA A 10 -39.077 -24.932 40.223 1.00 2.79 C ATOM 131 HA ALA A 10 -40.074 -24.537 40.062 1.00 2.79 H ATOM 132 C ALA A 10 -38.926 -26.123 39.283 1.00 2.79 C ATOM 133 O ALA A 10 -38.267 -27.107 39.589 1.00 2.79 O ATOM 134 CB ALA A 10 -38.071 -23.834 39.913 1.00 2.79 C ATOM 135 1HB ALA A 10 -38.211 -22.996 40.595 1.00 2.79 H ATOM 136 2HB ALA A 10 -38.192 -23.494 38.888 1.00 2.79 H ATOM 137 3HB ALA A 10 -37.062 -24.213 40.043 1.00 2.79 H ATOM 138 N ILE A 11 -39.579 -26.021 38.137 1.00-17.35 N ATOM 139 H ILE A 11 -40.079 -25.159 37.932 1.00-17.35 H ATOM 140 CA ILE A 11 -39.641 -27.099 37.155 1.00-17.35 C ATOM 141 HA ILE A 11 -39.033 -27.943 37.480 1.00-17.35 H ATOM 142 C ILE A 11 -39.050 -26.528 35.874 1.00-17.35 C ATOM 143 O ILE A 11 -39.326 -25.382 35.519 1.00-17.35 O ATOM 144 CB ILE A 11 -41.115 -27.582 36.952 1.00-17.35 C ATOM 145 HB ILE A 11 -41.714 -26.729 36.633 1.00-17.35 H ATOM 146 CG1 ILE A 11 -41.681 -28.100 38.293 1.00-17.35 C ATOM 147 1HG1 ILE A 11 -41.075 -28.947 38.617 1.00-17.35 H ATOM 148 2HG1 ILE A 11 -41.582 -27.318 39.044 1.00-17.35 H ATOM 149 CG2 ILE A 11 -41.203 -28.680 35.856 1.00-17.35 C ATOM 150 1HG2 ILE A 11 -42.236 -28.980 35.692 1.00-17.35 H ATOM 151 2HG2 ILE A 11 -40.621 -29.557 36.147 1.00-17.35 H ATOM 152 3HG2 ILE A 11 -40.824 -28.299 34.906 1.00-17.35 H ATOM 153 CD1 ILE A 11 -43.156 -28.541 38.286 1.00-17.35 C ATOM 154 1HD1 ILE A 11 -43.482 -28.714 39.312 1.00-17.35 H ATOM 155 2HD1 ILE A 11 -43.265 -29.471 37.725 1.00-17.35 H ATOM 156 3HD1 ILE A 11 -43.776 -27.770 37.837 1.00-17.35 H ATOM 157 N CYS A 12 -38.224 -27.306 35.193 1.00-22.43 N ATOM 158 H CYS A 12 -37.994 -28.221 35.543 1.00-22.43 H ATOM 159 CA CYS A 12 -37.688 -26.894 33.903 1.00-22.43 C ATOM 160 HA CYS A 12 -37.359 -25.861 33.970 1.00-22.43 H ATOM 161 C CYS A 12 -38.758 -27.025 32.824 1.00-22.43 C ATOM 162 O CYS A 12 -39.313 -28.103 32.642 1.00-22.43 O ATOM 163 CB CYS A 12 -36.498 -27.780 33.538 1.00-22.43 C ATOM 164 1HB CYS A 12 -36.844 -28.809 33.439 1.00-22.43 H ATOM 165 2HB CYS A 12 -36.087 -27.455 32.583 1.00-22.43 H ATOM 166 SG CYS A 12 -35.205 -27.706 34.812 1.00-22.43 S ATOM 167 N HIS A 13 -39.013 -25.956 32.085 1.00 -6.56 N ATOM 168 H HIS A 13 -38.529 -25.083 32.290 1.00 -6.56 H ATOM 169 CA HIS A 13 -39.948 -25.990 30.956 1.00 -6.56 C ATOM 170 HA HIS A 13 -40.330 -27.001 30.823 1.00 -6.56 H ATOM 171 C HIS A 13 -39.156 -25.580 29.723 1.00 -6.56 C ATOM 172 O HIS A 13 -38.274 -24.730 29.827 1.00 -6.56 O ATOM 173 CB HIS A 13 -41.125 -25.048 31.192 1.00 -6.56 C ATOM 174 1HB HIS A 13 -40.739 -24.061 31.437 1.00 -6.56 H ATOM 175 2HB HIS A 13 -41.705 -24.974 30.273 1.00 -6.56 H ATOM 176 CG HIS A 13 -42.043 -25.507 32.280 1.00 -6.56 C ATOM 177 ND1 HIS A 13 -43.170 -26.259 32.029 1.00 -6.56 N ATOM 178 CD2 HIS A 13 -41.979 -25.317 33.625 1.00 -6.56 C ATOM 179 HD2 HIS A 13 -41.175 -24.795 34.123 1.00 -6.56 H ATOM 180 CE1 HIS A 13 -43.757 -26.463 33.246 1.00 -6.56 C ATOM 181 HE1 HIS A 13 -44.675 -27.017 33.385 1.00 -6.56 H ATOM 182 NE2 HIS A 13 -43.058 -25.881 34.251 1.00 -6.56 N ATOM 183 HE2 HIS A 13 -43.277 -25.871 35.235 1.00 -6.56 H ATOM 184 N PRO A 14 -39.386 -26.223 28.566 1.00 14.72 N ATOM 185 CA PRO A 14 -38.335 -26.097 27.546 1.00 14.72 C ATOM 186 HA PRO A 14 -37.365 -26.269 28.006 1.00 14.72 H ATOM 187 C PRO A 14 -38.240 -24.797 26.750 1.00 14.72 C ATOM 188 O PRO A 14 -37.195 -24.532 26.164 1.00 14.72 O ATOM 189 CB PRO A 14 -38.644 -27.268 26.611 1.00 14.72 C ATOM 190 1HB PRO A 14 -38.316 -27.057 25.593 1.00 14.72 H ATOM 191 2HB PRO A 14 -38.173 -28.179 26.982 1.00 14.72 H ATOM 192 CG PRO A 14 -40.124 -27.405 26.689 1.00 14.72 C ATOM 193 1HG PRO A 14 -40.606 -26.635 26.089 1.00 14.72 H ATOM 194 2HG PRO A 14 -40.441 -28.396 26.366 1.00 14.72 H ATOM 195 CD PRO A 14 -40.417 -27.196 28.153 1.00 14.72 C ATOM 196 1HD PRO A 14 -41.420 -26.791 28.292 1.00 14.72 H ATOM 197 2HD PRO A 14 -40.295 -28.131 28.703 1.00 14.72 H ATOM 198 N VAL A 15 -39.302 -24.002 26.691 1.00 4.72 N ATOM 199 H VAL A 15 -40.136 -24.256 27.194 1.00 4.72 H ATOM 200 CA VAL A 15 -39.301 -22.789 25.860 1.00 4.72 C ATOM 201 HA VAL A 15 -38.306 -22.653 25.441 1.00 4.72 H ATOM 202 C VAL A 15 -39.632 -21.532 26.660 1.00 4.72 C ATOM 203 O VAL A 15 -38.930 -20.528 26.563 1.00 4.72 O ATOM 204 CB VAL A 15 -40.295 -22.924 24.662 1.00 4.72 C ATOM 205 HB VAL A 15 -41.310 -22.977 25.052 1.00 4.72 H ATOM 206 CG1 VAL A 15 -40.190 -21.723 23.706 1.00 4.72 C ATOM 207 1HG1 VAL A 15 -40.912 -21.833 22.895 1.00 4.72 H ATOM 208 2HG1 VAL A 15 -39.186 -21.665 23.282 1.00 4.72 H ATOM 209 3HG1 VAL A 15 -40.405 -20.794 24.234 1.00 4.72 H ATOM 210 CG2 VAL A 15 -40.025 -24.211 23.861 1.00 4.72 C ATOM 211 1HG2 VAL A 15 -40.662 -24.241 22.976 1.00 4.72 H ATOM 212 2HG2 VAL A 15 -40.249 -25.086 24.466 1.00 4.72 H ATOM 213 3HG2 VAL A 15 -38.979 -24.250 23.548 1.00 4.72 H ATOM 214 N PHE A 16 -40.677 -21.582 27.470 1.00 1.61 N ATOM 215 H PHE A 16 -41.213 -22.431 27.575 1.00 1.61 H ATOM 216 CA PHE A 16 -41.122 -20.444 28.265 1.00 1.61 C ATOM 217 HA PHE A 16 -40.284 -19.810 28.550 1.00 1.61 H ATOM 218 C PHE A 16 -41.726 -21.084 29.501 1.00 1.61 C ATOM 219 O PHE A 16 -41.971 -22.290 29.486 1.00 1.61 O ATOM 220 CB PHE A 16 -42.177 -19.622 27.505 1.00 1.61 C ATOM 221 1HB PHE A 16 -42.579 -18.858 28.170 1.00 1.61 H ATOM 222 2HB PHE A 16 -41.687 -19.122 26.670 1.00 1.61 H ATOM 223 CG PHE A 16 -43.318 -20.448 26.955 1.00 1.61 C ATOM 224 CD1 PHE A 16 -44.398 -20.831 27.773 1.00 1.61 C ATOM 225 HD1 PHE A 16 -44.429 -20.515 28.801 1.00 1.61 H ATOM 226 CD2 PHE A 16 -43.322 -20.837 25.603 1.00 1.61 C ATOM 227 HD2 PHE A 16 -42.525 -20.516 24.951 1.00 1.61 H ATOM 228 CE1 PHE A 16 -45.446 -21.638 27.267 1.00 1.61 C ATOM 229 HE1 PHE A 16 -46.256 -21.941 27.913 1.00 1.61 H ATOM 230 CE2 PHE A 16 -44.360 -21.646 25.080 1.00 1.61 C ATOM 231 HE2 PHE A 16 -44.345 -21.945 24.041 1.00 1.61 H ATOM 232 CZ PHE A 16 -45.422 -22.053 25.917 1.00 1.61 C ATOM 233 HZ PHE A 16 -46.218 -22.669 25.524 1.00 1.61 H ATOM 234 N CYS A 17 -41.980 -20.299 30.537 1.00 -5.89 N ATOM 235 H CYS A 17 -41.735 -19.323 30.505 1.00 -5.89 H ATOM 236 CA CYS A 17 -42.682 -20.800 31.712 1.00 -5.89 C ATOM 237 HA CYS A 17 -42.449 -21.854 31.842 1.00 -5.89 H ATOM 238 C CYS A 17 -44.185 -20.611 31.533 1.00 -5.89 C ATOM 239 O CYS A 17 -44.615 -19.560 31.043 1.00 -5.89 O ATOM 240 CB CYS A 17 -42.243 -20.026 32.954 1.00 -5.89 C ATOM 241 1HB CYS A 17 -42.450 -18.966 32.806 1.00 -5.89 H ATOM 242 2HB CYS A 17 -42.826 -20.373 33.807 1.00 -5.89 H ATOM 243 SG CYS A 17 -40.477 -20.254 33.316 1.00 -5.89 S ATOM 244 N PRO A 18 -45.004 -21.603 31.926 1.00 -4.97 N ATOM 245 CA PRO A 18 -46.443 -21.341 31.819 1.00 -4.97 C ATOM 246 HA PRO A 18 -46.712 -21.107 30.790 1.00 -4.97 H ATOM 247 C PRO A 18 -46.876 -20.225 32.765 1.00 -4.97 C ATOM 248 O PRO A 18 -46.262 -20.001 33.807 1.00 -4.97 O ATOM 249 CB PRO A 18 -47.075 -22.667 32.260 1.00 -4.97 C ATOM 250 1HB PRO A 18 -47.359 -22.609 33.309 1.00 -4.97 H ATOM 251 2HB PRO A 18 -47.941 -22.910 31.646 1.00 -4.97 H ATOM 252 CG PRO A 18 -45.998 -23.678 32.083 1.00 -4.97 C ATOM 253 1HG PRO A 18 -46.165 -24.545 32.721 1.00 -4.97 H ATOM 254 2HG PRO A 18 -45.935 -23.976 31.036 1.00 -4.97 H ATOM 255 CD PRO A 18 -44.757 -22.944 32.484 1.00 -4.97 C ATOM 256 1HD PRO A 18 -44.661 -22.897 33.570 1.00 -4.97 H ATOM 257 2HD PRO A 18 -43.881 -23.408 32.032 1.00 -4.97 H ATOM 258 N ARG A 19 -47.966 -19.543 32.444 1.00-11.83 N ATOM 259 H ARG A 19 -48.441 -19.745 31.580 1.00-11.83 H ATOM 260 CA ARG A 19 -48.504 -18.539 33.366 1.00-11.83 C ATOM 261 HA ARG A 19 -47.708 -17.841 33.632 1.00-11.83 H ATOM 262 C ARG A 19 -48.933 -19.291 34.623 1.00-11.83 C ATOM 263 O ARG A 19 -49.501 -20.384 34.501 1.00-11.83 O ATOM 264 CB ARG A 19 -49.675 -17.772 32.739 1.00-11.83 C ATOM 265 1HB ARG A 19 -50.442 -18.483 32.433 1.00-11.83 H ATOM 266 2HB ARG A 19 -50.097 -17.110 33.495 1.00-11.83 H ATOM 267 CG ARG A 19 -49.263 -16.929 31.531 1.00-11.83 C ATOM 268 1HG ARG A 19 -48.459 -16.255 31.828 1.00-11.83 H ATOM 269 2HG ARG A 19 -48.899 -17.584 30.740 1.00-11.83 H ATOM 270 CD ARG A 19 -50.423 -16.100 30.988 1.00-11.83 C ATOM 271 1HD ARG A 19 -51.243 -16.768 30.721 1.00-11.83 H ATOM 272 2HD ARG A 19 -50.761 -15.413 31.765 1.00-11.83 H ATOM 273 NE ARG A 19 -50.019 -15.328 29.800 1.00-11.83 N ATOM 274 HE ARG A 19 -49.068 -15.448 29.491 1.00-11.83 H ATOM 275 CZ ARG A 19 -50.782 -14.493 29.104 1.00-11.83 C ATOM 276 NH1 ARG A 19 -50.271 -13.893 28.065 1.00-11.83 N ATOM 277 1HH1 ARG A 19 -49.318 -14.068 27.791 1.00-11.83 H ATOM 278 2HH1 ARG A 19 -50.830 -13.251 27.528 1.00-11.83 H ATOM 279 NH2 ARG A 19 -52.030 -14.230 29.401 1.00-11.83 N ATOM 280 1HH2 ARG A 19 -52.454 -14.666 30.201 1.00-11.83 H ATOM 281 2HH2 ARG A 19 -52.565 -13.593 28.835 1.00-11.83 H ATOM 282 N ARG A 20 -48.645 -18.686 35.777 1.00 1.15 N ATOM 283 H ARG A 20 -48.238 -17.763 35.717 1.00 1.15 H ATOM 284 CA ARG A 20 -48.783 -19.238 37.148 1.00 1.15 C ATOM 285 HA ARG A 20 -48.752 -18.395 37.839 1.00 1.15 H ATOM 286 C ARG A 20 -47.569 -20.097 37.503 1.00 1.15 C ATOM 287 O ARG A 20 -47.631 -20.967 38.365 1.00 1.15 O ATOM 288 CB ARG A 20 -50.096 -19.992 37.426 1.00 1.15 C ATOM 289 1HB ARG A 20 -50.083 -20.908 36.842 1.00 1.15 H ATOM 290 2HB ARG A 20 -50.124 -20.284 38.476 1.00 1.15 H ATOM 291 CG ARG A 20 -51.372 -19.193 37.121 1.00 1.15 C ATOM 292 1HG ARG A 20 -51.618 -18.568 37.980 1.00 1.15 H ATOM 293 2HG ARG A 20 -51.206 -18.549 36.260 1.00 1.15 H ATOM 294 CD ARG A 20 -52.545 -20.108 36.793 1.00 1.15 C ATOM 295 1HD ARG A 20 -52.700 -20.810 37.614 1.00 1.15 H ATOM 296 2HD ARG A 20 -53.441 -19.500 36.665 1.00 1.15 H ATOM 297 NE ARG A 20 -52.269 -20.844 35.547 1.00 1.15 N ATOM 298 HE ARG A 20 -51.337 -20.721 35.158 1.00 1.15 H ATOM 299 CZ ARG A 20 -53.092 -21.655 34.899 1.00 1.15 C ATOM 300 NH1 ARG A 20 -52.649 -22.247 33.825 1.00 1.15 N ATOM 301 1HH1 ARG A 20 -51.698 -22.092 33.527 1.00 1.15 H ATOM 302 2HH1 ARG A 20 -53.248 -22.859 33.299 1.00 1.15 H ATOM 303 NH2 ARG A 20 -54.324 -21.895 35.275 1.00 1.15 N ATOM 304 1HH2 ARG A 20 -54.686 -21.449 36.101 1.00 1.15 H ATOM 305 2HH2 ARG A 20 -54.909 -22.515 34.742 1.00 1.15 H ATOM 306 N TYR A 21 -46.459 -19.789 36.852 1.00 19.84 N ATOM 307 H TYR A 21 -46.503 -19.247 36.000 1.00 19.84 H ATOM 308 CA TYR A 21 -45.117 -20.084 37.339 1.00 19.84 C ATOM 309 HA TYR A 21 -45.128 -20.388 38.386 1.00 19.84 H ATOM 310 C TYR A 21 -44.379 -18.758 37.175 1.00 19.84 C ATOM 311 O TYR A 21 -44.801 -17.922 36.372 1.00 19.84 O ATOM 312 CB TYR A 21 -44.405 -21.134 36.483 1.00 19.84 C ATOM 313 1HB TYR A 21 -44.432 -20.811 35.445 1.00 19.84 H ATOM 314 2HB TYR A 21 -43.364 -21.161 36.798 1.00 19.84 H ATOM 315 CG TYR A 21 -44.943 -22.545 36.569 1.00 19.84 C ATOM 316 CD1 TYR A 21 -46.149 -22.912 35.938 1.00 19.84 C ATOM 317 HD1 TYR A 21 -46.721 -22.163 35.410 1.00 19.84 H ATOM 318 CD2 TYR A 21 -44.218 -23.540 37.252 1.00 19.84 C ATOM 319 HD2 TYR A 21 -43.304 -23.276 37.761 1.00 19.84 H ATOM 320 CE1 TYR A 21 -46.614 -24.255 35.978 1.00 19.84 C ATOM 321 HE1 TYR A 21 -47.532 -24.527 35.482 1.00 19.84 H ATOM 322 CE2 TYR A 21 -44.666 -24.883 37.281 1.00 19.84 C ATOM 323 HE2 TYR A 21 -44.084 -25.625 37.802 1.00 19.84 H ATOM 324 CZ TYR A 21 -45.865 -25.224 36.650 1.00 19.84 C ATOM 325 OH TYR A 21 -46.324 -26.517 36.705 1.00 19.84 O ATOM 326 HH TYR A 21 -45.682 -27.121 37.087 1.00 19.84 H ATOM 327 N LYS A 22 -43.274 -18.580 37.883 1.00 -8.51 N ATOM 328 H LYS A 22 -43.010 -19.304 38.555 1.00 -8.51 H ATOM 329 CA LYS A 22 -42.378 -17.432 37.730 1.00 -8.51 C ATOM 330 HA LYS A 22 -42.842 -16.654 37.124 1.00 -8.51 H ATOM 331 C LYS A 22 -41.100 -17.923 37.072 1.00 -8.51 C ATOM 332 O LYS A 22 -40.515 -18.883 37.557 1.00 -8.51 O ATOM 333 CB LYS A 22 -41.980 -16.886 39.105 1.00 -8.51 C ATOM 334 1HB LYS A 22 -41.517 -17.693 39.671 1.00 -8.51 H ATOM 335 2HB LYS A 22 -41.230 -16.109 38.955 1.00 -8.51 H ATOM 336 CG LYS A 22 -43.103 -16.306 39.947 1.00 -8.51 C ATOM 337 1HG LYS A 22 -43.535 -15.458 39.417 1.00 -8.51 H ATOM 338 2HG LYS A 22 -43.876 -17.054 40.128 1.00 -8.51 H ATOM 339 CD LYS A 22 -42.519 -15.838 41.275 1.00 -8.51 C ATOM 340 1HD LYS A 22 -42.103 -16.697 41.808 1.00 -8.51 H ATOM 341 2HD LYS A 22 -41.722 -15.124 41.069 1.00 -8.51 H ATOM 342 CE LYS A 22 -43.556 -15.147 42.143 1.00 -8.51 C ATOM 343 1HE LYS A 22 -43.968 -14.295 41.598 1.00 -8.51 H ATOM 344 2HE LYS A 22 -44.363 -15.847 42.371 1.00 -8.51 H ATOM 345 NZ LYS A 22 -42.915 -14.669 43.415 1.00 -8.51 N ATOM 346 1HZ LYS A 22 -43.608 -14.260 44.025 1.00 -8.51 H ATOM 347 2HZ LYS A 22 -42.201 -13.986 43.211 1.00 -8.51 H ATOM 348 3HZ LYS A 22 -42.482 -15.459 43.900 1.00 -8.51 H ATOM 349 N GLN A 23 -40.613 -17.285 36.023 1.00-11.02 N ATOM 350 H GLN A 23 -41.104 -16.509 35.613 1.00-11.02 H ATOM 351 CA GLN A 23 -39.294 -17.657 35.516 1.00-11.02 C ATOM 352 HA GLN A 23 -39.208 -18.743 35.487 1.00-11.02 H ATOM 353 C GLN A 23 -38.273 -17.097 36.498 1.00-11.02 C ATOM 354 O GLN A 23 -38.295 -15.904 36.778 1.00-11.02 O ATOM 355 CB GLN A 23 -39.044 -17.096 34.113 1.00-11.02 C ATOM 356 1HB GLN A 23 -39.856 -17.417 33.462 1.00-11.02 H ATOM 357 2HB GLN A 23 -39.044 -16.007 34.152 1.00-11.02 H ATOM 358 CG GLN A 23 -37.722 -17.571 33.518 1.00-11.02 C ATOM 359 1HG GLN A 23 -36.901 -17.179 34.116 1.00-11.02 H ATOM 360 2HG GLN A 23 -37.686 -18.659 33.546 1.00-11.02 H ATOM 361 CD GLN A 23 -37.539 -17.122 32.089 1.00-11.02 C ATOM 362 OE1 GLN A 23 -38.204 -17.596 31.182 1.00-11.02 O ATOM 363 NE2 GLN A 23 -36.627 -16.212 31.871 1.00-11.02 N ATOM 364 1HE2 GLN A 23 -36.497 -15.883 30.931 1.00-11.02 H ATOM 365 2HE2 GLN A 23 -36.086 -15.842 32.634 1.00-11.02 H ATOM 366 N ILE A 24 -37.398 -17.944 37.021 1.00-15.74 N ATOM 367 H ILE A 24 -37.463 -18.936 36.794 1.00-15.74 H ATOM 368 CA ILE A 24 -36.359 -17.512 37.961 1.00-15.74 C ATOM 369 HA ILE A 24 -36.442 -16.436 38.107 1.00-15.74 H ATOM 370 C ILE A 24 -34.954 -17.766 37.416 1.00-15.74 C ATOM 371 O ILE A 24 -33.962 -17.510 38.085 1.00-15.74 O ATOM 372 CB ILE A 24 -36.534 -18.176 39.358 1.00-15.74 C ATOM 373 HB ILE A 24 -35.741 -17.801 40.006 1.00-15.74 H ATOM 374 CG1 ILE A 24 -36.403 -19.710 39.269 1.00-15.74 C ATOM 375 1HG1 ILE A 24 -37.314 -20.120 38.832 1.00-15.74 H ATOM 376 2HG1 ILE A 24 -35.572 -19.958 38.610 1.00-15.74 H ATOM 377 CG2 ILE A 24 -37.894 -17.758 39.977 1.00-15.74 C ATOM 378 1HG2 ILE A 24 -37.947 -18.092 41.012 1.00-15.74 H ATOM 379 2HG2 ILE A 24 -38.720 -18.192 39.413 1.00-15.74 H ATOM 380 3HG2 ILE A 24 -37.984 -16.671 39.958 1.00-15.74 H ATOM 381 CD1 ILE A 24 -36.144 -20.403 40.605 1.00-15.74 C ATOM 382 1HD1 ILE A 24 -36.035 -21.474 40.439 1.00-15.74 H ATOM 383 2HD1 ILE A 24 -36.970 -20.235 41.294 1.00-15.74 H ATOM 384 3HD1 ILE A 24 -35.222 -20.022 41.047 1.00-15.74 H ATOM 385 N GLY A 25 -34.862 -18.264 36.192 1.00 -3.72 N ATOM 386 H GLY A 25 -35.690 -18.473 35.659 1.00 -3.72 H ATOM 387 CA GLY A 25 -33.565 -18.550 35.603 1.00 -3.72 C ATOM 388 1HA GLY A 25 -33.109 -17.628 35.244 1.00 -3.72 H ATOM 389 2HA GLY A 25 -32.918 -18.995 36.360 1.00 -3.72 H ATOM 390 C GLY A 25 -33.713 -19.522 34.455 1.00 -3.72 C ATOM 391 O GLY A 25 -34.805 -19.652 33.894 1.00 -3.72 O ATOM 392 N THR A 26 -32.646 -20.234 34.132 1.00 5.19 N ATOM 393 H THR A 26 -31.776 -20.101 34.632 1.00 5.19 H ATOM 394 CA THR A 26 -32.654 -21.288 33.122 1.00 5.19 C ATOM 395 HA THR A 26 -33.661 -21.481 32.769 1.00 5.19 H ATOM 396 C THR A 26 -32.127 -22.516 33.848 1.00 5.19 C ATOM 397 O THR A 26 -31.472 -22.367 34.877 1.00 5.19 O ATOM 398 CB THR A 26 -31.741 -20.937 31.926 1.00 5.19 C ATOM 399 HB THR A 26 -31.688 -21.786 31.245 1.00 5.19 H ATOM 400 OG1 THR A 26 -30.434 -20.626 32.410 1.00 5.19 O ATOM 401 HG1 THR A 26 -29.920 -20.257 31.686 1.00 5.19 H ATOM 402 CG2 THR A 26 -32.249 -19.719 31.172 1.00 5.19 C ATOM 403 1HG2 THR A 26 -31.640 -19.567 30.281 1.00 5.19 H ATOM 404 2HG2 THR A 26 -32.189 -18.833 31.805 1.00 5.19 H ATOM 405 3HG2 THR A 26 -33.283 -19.881 30.870 1.00 5.19 H ATOM 406 N CYS A 27 -32.399 -23.725 33.374 1.00 20.68 N ATOM 407 H CYS A 27 -32.953 -23.835 32.527 1.00 20.68 H ATOM 408 CA CYS A 27 -31.899 -24.906 34.087 1.00 20.68 C ATOM 409 HA CYS A 27 -31.867 -24.687 35.155 1.00 20.68 H ATOM 410 C CYS A 27 -30.489 -25.276 33.649 1.00 20.68 C ATOM 411 O CYS A 27 -29.853 -26.139 34.251 1.00 20.68 O ATOM 412 CB CYS A 27 -32.809 -26.115 33.900 1.00 20.68 C ATOM 413 1HB CYS A 27 -32.897 -26.361 32.848 1.00 20.68 H ATOM 414 2HB CYS A 27 -32.356 -26.963 34.412 1.00 20.68 H ATOM 415 SG CYS A 27 -34.454 -25.835 34.607 1.00 20.68 S ATOM 416 N GLY A 28 -30.005 -24.642 32.592 1.00 30.32 N ATOM 417 H GLY A 28 -30.558 -23.931 32.138 1.00 30.32 H ATOM 418 CA GLY A 28 -28.690 -24.949 32.049 1.00 30.32 C ATOM 419 1HA GLY A 28 -28.306 -24.065 31.539 1.00 30.32 H ATOM 420 2HA GLY A 28 -28.005 -25.210 32.855 1.00 30.32 H ATOM 421 C GLY A 28 -28.731 -26.089 31.052 1.00 30.32 C ATOM 422 O GLY A 28 -27.759 -26.361 30.362 1.00 30.32 O ATOM 423 N LEU A 29 -29.885 -26.729 30.937 1.00 -3.43 N ATOM 424 H LEU A 29 -30.655 -26.482 31.532 1.00 -3.43 H ATOM 425 CA LEU A 29 -30.122 -27.679 29.858 1.00 -3.43 C ATOM 426 HA LEU A 29 -29.214 -28.240 29.640 1.00 -3.43 H ATOM 427 C LEU A 29 -30.483 -26.750 28.699 1.00 -3.43 C ATOM 428 O LEU A 29 -31.051 -25.675 28.958 1.00 -3.43 O ATOM 429 CB LEU A 29 -31.279 -28.625 30.200 1.00 -3.43 C ATOM 430 1HB LEU A 29 -32.161 -28.016 30.351 1.00 -3.43 H ATOM 431 2HB LEU A 29 -31.464 -29.260 29.334 1.00 -3.43 H ATOM 432 CG LEU A 29 -31.139 -29.523 31.437 1.00 -3.43 C ATOM 433 HG LEU A 29 -30.920 -28.898 32.302 1.00 -3.43 H ATOM 434 CD1 LEU A 29 -32.468 -30.231 31.693 1.00 -3.43 C ATOM 435 1HD1 LEU A 29 -32.384 -30.875 32.568 1.00 -3.43 H ATOM 436 2HD1 LEU A 29 -32.741 -30.843 30.831 1.00 -3.43 H ATOM 437 3HD1 LEU A 29 -33.252 -29.496 31.874 1.00 -3.43 H ATOM 438 CD2 LEU A 29 -30.019 -30.548 31.289 1.00 -3.43 C ATOM 439 1HD2 LEU A 29 -29.978 -31.185 32.173 1.00 -3.43 H ATOM 440 2HD2 LEU A 29 -29.059 -30.041 31.186 1.00 -3.43 H ATOM 441 3HD2 LEU A 29 -30.191 -31.173 30.410 1.00 -3.43 H ATOM 442 N PRO A 30 -30.151 -27.105 27.445 1.00-23.68 N ATOM 443 CA PRO A 30 -30.432 -26.130 26.381 1.00-23.68 C ATOM 444 HA PRO A 30 -29.820 -25.242 26.535 1.00-23.68 H ATOM 445 C PRO A 30 -31.899 -25.722 26.281 1.00-23.68 C ATOM 446 O PRO A 30 -32.798 -26.542 26.446 1.00-23.68 O ATOM 447 CB PRO A 30 -29.992 -26.866 25.111 1.00-23.68 C ATOM 448 1HB PRO A 30 -30.837 -27.401 24.676 1.00-23.68 H ATOM 449 2HB PRO A 30 -29.567 -26.172 24.387 1.00-23.68 H ATOM 450 CG PRO A 30 -28.964 -27.827 25.586 1.00-23.68 C ATOM 451 1HG PRO A 30 -28.842 -28.650 24.882 1.00-23.68 H ATOM 452 2HG PRO A 30 -28.017 -27.309 25.743 1.00-23.68 H ATOM 453 CD PRO A 30 -29.507 -28.315 26.898 1.00-23.68 C ATOM 454 1HD PRO A 30 -30.249 -29.100 26.742 1.00-23.68 H ATOM 455 2HD PRO A 30 -28.697 -28.662 27.540 1.00-23.68 H ATOM 456 N GLY A 31 -32.132 -24.433 26.070 1.00 7.23 N ATOM 457 H GLY A 31 -31.354 -23.799 25.998 1.00 7.23 H ATOM 458 CA GLY A 31 -33.480 -23.887 25.965 1.00 7.23 C ATOM 459 1HA GLY A 31 -33.426 -22.925 25.456 1.00 7.23 H ATOM 460 2HA GLY A 31 -34.072 -24.561 25.344 1.00 7.23 H ATOM 461 C GLY A 31 -34.237 -23.692 27.268 1.00 7.23 C ATOM 462 O GLY A 31 -34.916 -22.678 27.452 1.00 7.23 O ATOM 463 N THR A 32 -34.117 -24.648 28.176 1.00 5.81 N ATOM 464 H THR A 32 -33.464 -25.403 27.997 1.00 5.81 H ATOM 465 CA THR A 32 -34.977 -24.727 29.353 1.00 5.81 C ATOM 466 HA THR A 32 -35.997 -24.815 28.992 1.00 5.81 H ATOM 467 C THR A 32 -34.948 -23.541 30.304 1.00 5.81 C ATOM 468 O THR A 32 -33.898 -23.029 30.699 1.00 5.81 O ATOM 469 CB THR A 32 -34.651 -25.959 30.210 1.00 5.81 C ATOM 470 HB THR A 32 -35.306 -25.969 31.081 1.00 5.81 H ATOM 471 OG1 THR A 32 -33.290 -25.883 30.641 1.00 5.81 O ATOM 472 HG1 THR A 32 -32.728 -25.696 29.874 1.00 5.81 H ATOM 473 CG2 THR A 32 -34.828 -27.261 29.446 1.00 5.81 C ATOM 474 1HG2 THR A 32 -34.630 -28.097 30.116 1.00 5.81 H ATOM 475 2HG2 THR A 32 -34.136 -27.315 28.605 1.00 5.81 H ATOM 476 3HG2 THR A 32 -35.850 -27.344 29.081 1.00 5.81 H ATOM 477 N LYS A 33 -36.140 -23.133 30.708 1.00 -9.23 N ATOM 478 H LYS A 33 -36.968 -23.628 30.372 1.00 -9.23 H ATOM 479 CA LYS A 33 -36.341 -22.037 31.645 1.00 -9.23 C ATOM 480 HA LYS A 33 -35.436 -21.442 31.735 1.00 -9.23 H ATOM 481 C LYS A 33 -36.659 -22.694 32.973 1.00 -9.23 C ATOM 482 O LYS A 33 -37.349 -23.706 32.991 1.00 -9.23 O ATOM 483 CB LYS A 33 -37.505 -21.157 31.179 1.00 -9.23 C ATOM 484 1HB LYS A 33 -38.426 -21.738 31.238 1.00 -9.23 H ATOM 485 2HB LYS A 33 -37.591 -20.315 31.864 1.00 -9.23 H ATOM 486 CG LYS A 33 -37.382 -20.623 29.747 1.00 -9.23 C ATOM 487 1HG LYS A 33 -37.402 -21.462 29.051 1.00 -9.23 H ATOM 488 2HG LYS A 33 -38.245 -19.991 29.544 1.00 -9.23 H ATOM 489 CD LYS A 33 -36.106 -19.810 29.511 1.00 -9.23 C ATOM 490 1HD LYS A 33 -36.031 -19.038 30.277 1.00 -9.23 H ATOM 491 2HD LYS A 33 -35.240 -20.467 29.586 1.00 -9.23 H ATOM 492 CE LYS A 33 -36.089 -19.143 28.140 1.00 -9.23 C ATOM 493 1HE LYS A 33 -36.938 -18.458 28.068 1.00 -9.23 H ATOM 494 2HE LYS A 33 -35.167 -18.566 28.048 1.00 -9.23 H ATOM 495 NZ LYS A 33 -36.162 -20.133 27.015 1.00 -9.23 N ATOM 496 1HZ LYS A 33 -35.907 -19.696 26.143 1.00 -9.23 H ATOM 497 2HZ LYS A 33 -37.114 -20.480 26.932 1.00 -9.23 H ATOM 498 3HZ LYS A 33 -35.549 -20.924 27.195 1.00 -9.23 H ATOM 499 N CYS A 34 -36.147 -22.147 34.060 1.00-18.11 N ATOM 500 H CYS A 34 -35.619 -21.284 33.982 1.00-18.11 H ATOM 501 CA CYS A 34 -36.376 -22.691 35.392 1.00-18.11 C ATOM 502 HA CYS A 34 -36.630 -23.750 35.328 1.00-18.11 H ATOM 503 C CYS A 34 -37.566 -21.914 35.940 1.00-18.11 C ATOM 504 O CYS A 34 -37.490 -20.691 36.107 1.00-18.11 O ATOM 505 CB CYS A 34 -35.124 -22.512 36.258 1.00-18.11 C ATOM 506 1HB CYS A 34 -34.288 -23.013 35.771 1.00-18.11 H ATOM 507 2HB CYS A 34 -34.897 -21.448 36.322 1.00-18.11 H ATOM 508 SG CYS A 34 -35.273 -23.159 37.953 1.00-18.11 S ATOM 509 N CYS A 35 -38.686 -22.600 36.114 1.00-11.87 N ATOM 510 H CYS A 35 -38.692 -23.606 35.956 1.00-11.87 H ATOM 511 CA CYS A 35 -39.964 -21.966 36.417 1.00-11.87 C ATOM 512 HA CYS A 35 -39.858 -20.887 36.340 1.00-11.87 H ATOM 513 C CYS A 35 -40.486 -22.325 37.806 1.00-11.87 C ATOM 514 O CYS A 35 -40.932 -23.449 38.030 1.00-11.87 O ATOM 515 CB CYS A 35 -40.961 -22.434 35.365 1.00-11.87 C ATOM 516 1HB CYS A 35 -41.165 -23.490 35.534 1.00-11.87 H ATOM 517 2HB CYS A 35 -41.889 -21.882 35.470 1.00-11.87 H ATOM 518 SG CYS A 35 -40.324 -22.241 33.671 1.00-11.87 S ATOM 519 N LYS A 36 -40.405 -21.394 38.744 1.00-13.88 N ATOM 520 H LYS A 36 -40.080 -20.465 38.482 1.00-13.88 H ATOM 521 CA LYS A 36 -40.820 -21.625 40.130 1.00-13.88 C ATOM 522 HA LYS A 36 -40.479 -22.600 40.454 1.00-13.88 H ATOM 523 C LYS A 36 -42.326 -21.578 40.226 1.00-13.88 C ATOM 524 O LYS A 36 -42.920 -20.629 39.731 1.00-13.88 O ATOM 525 CB LYS A 36 -40.210 -20.557 41.036 1.00-13.88 C ATOM 526 1HB LYS A 36 -39.160 -20.456 40.782 1.00-13.88 H ATOM 527 2HB LYS A 36 -40.706 -19.605 40.846 1.00-13.88 H ATOM 528 CG LYS A 36 -40.310 -20.887 42.508 1.00-13.88 C ATOM 529 1HG LYS A 36 -41.346 -21.102 42.754 1.00-13.88 H ATOM 530 2HG LYS A 36 -39.707 -21.767 42.724 1.00-13.88 H ATOM 531 CD LYS A 36 -39.841 -19.723 43.358 1.00-13.88 C ATOM 532 1HD LYS A 36 -38.814 -19.465 43.099 1.00-13.88 H ATOM 533 2HD LYS A 36 -40.492 -18.868 43.166 1.00-13.88 H ATOM 534 CE LYS A 36 -39.926 -20.084 44.828 1.00-13.88 C ATOM 535 1HE LYS A 36 -40.931 -20.453 45.034 1.00-13.88 H ATOM 536 2HE LYS A 36 -39.206 -20.874 45.053 1.00-13.88 H ATOM 537 NZ LYS A 36 -39.681 -18.892 45.693 1.00-13.88 N ATOM 538 1HZ LYS A 36 -39.688 -19.167 46.664 1.00-13.88 H ATOM 539 2HZ LYS A 36 -40.449 -18.229 45.566 1.00-13.88 H ATOM 540 3HZ LYS A 36 -38.807 -18.451 45.457 1.00-13.88 H ATOM 541 N LYS A 37 -42.955 -22.572 40.833 1.00 10.94 N ATOM 542 H LYS A 37 -42.424 -23.349 41.218 1.00 10.94 H ATOM 543 CA LYS A 37 -44.414 -22.524 40.978 1.00 10.94 C ATOM 544 HA LYS A 37 -44.795 -21.943 40.139 1.00 10.94 H ATOM 545 C LYS A 37 -44.901 -21.797 42.239 1.00 10.94 C ATOM 546 O LYS A 37 -45.769 -20.933 42.123 1.00 10.94 O ATOM 547 CB LYS A 37 -45.033 -23.915 40.848 1.00 10.94 C ATOM 548 1HB LYS A 37 -44.480 -24.462 40.086 1.00 10.94 H ATOM 549 2HB LYS A 37 -44.954 -24.454 41.790 1.00 10.94 H ATOM 550 CG LYS A 37 -46.485 -23.826 40.412 1.00 10.94 C ATOM 551 1HG LYS A 37 -47.067 -23.306 41.173 1.00 10.94 H ATOM 552 2HG LYS A 37 -46.526 -23.253 39.486 1.00 10.94 H ATOM 553 CD LYS A 37 -47.095 -25.187 40.155 1.00 10.94 C ATOM 554 1HD LYS A 37 -46.451 -25.741 39.474 1.00 10.94 H ATOM 555 2HD LYS A 37 -47.183 -25.733 41.095 1.00 10.94 H ATOM 556 CE LYS A 37 -48.465 -25.007 39.517 1.00 10.94 C ATOM 557 1HE LYS A 37 -49.109 -24.460 40.210 1.00 10.94 H ATOM 558 2HE LYS A 37 -48.351 -24.410 38.608 1.00 10.94 H ATOM 559 NZ LYS A 37 -49.094 -26.327 39.171 1.00 10.94 N ATOM 560 1HZ LYS A 37 -50.008 -26.175 38.766 1.00 10.94 H ATOM 561 2HZ LYS A 37 -49.191 -26.889 40.005 1.00 10.94 H ATOM 562 3HZ LYS A 37 -48.512 -26.816 38.503 1.00 10.94 H ATOM 563 N PRO A 38 -44.372 -22.120 43.441 1.00 7.70 N ATOM 564 CA PRO A 38 -44.848 -21.265 44.537 1.00 7.70 C ATOM 565 HA PRO A 38 -45.935 -21.192 44.531 1.00 7.70 H ATOM 566 C PRO A 38 -44.220 -19.870 44.442 1.00 7.70 C ATOM 567 O PRO A 38 -43.244 -19.687 43.705 1.00 7.70 O ATOM 568 CB PRO A 38 -44.381 -22.026 45.783 1.00 7.70 C ATOM 569 1HB PRO A 38 -44.202 -21.348 46.617 1.00 7.70 H ATOM 570 2HB PRO A 38 -45.120 -22.780 46.055 1.00 7.70 H ATOM 571 CG PRO A 38 -43.136 -22.671 45.359 1.00 7.70 C ATOM 572 1HG PRO A 38 -42.324 -21.947 45.371 1.00 7.70 H ATOM 573 2HG PRO A 38 -42.897 -23.520 45.999 1.00 7.70 H ATOM 574 CD PRO A 38 -43.407 -23.119 43.951 1.00 7.70 C ATOM 575 1HD PRO A 38 -42.486 -23.104 43.375 1.00 7.70 H ATOM 576 2HD PRO A 38 -43.855 -24.114 43.946 1.00 7.70 H ATOM 577 N PRO A 39 -44.766 -18.872 45.163 1.00 -1.39 N ATOM 578 CA PRO A 39 -44.120 -17.553 45.109 1.00 -1.39 C ATOM 579 HA PRO A 39 -44.200 -17.158 44.102 1.00 -1.39 H ATOM 580 C PRO A 39 -42.655 -17.558 45.538 1.00 -1.39 C ATOM 581 O PRO A 39 -41.852 -16.834 44.904 1.00 -1.39 O ATOM 582 OXT PRO A 39 -42.309 -18.282 46.489 1.00 -1.39 O ATOM 583 CB PRO A 39 -44.955 -16.718 46.086 1.00 -1.39 C ATOM 584 1HB PRO A 39 -44.508 -16.752 47.081 1.00 -1.39 H ATOM 585 2HB PRO A 39 -45.043 -15.689 45.742 1.00 -1.39 H ATOM 586 CG PRO A 39 -46.278 -17.383 46.098 1.00 -1.39 C ATOM 587 1HG PRO A 39 -46.834 -17.134 47.002 1.00 -1.39 H ATOM 588 2HG PRO A 39 -46.841 -17.104 45.207 1.00 -1.39 H ATOM 589 CD PRO A 39 -45.939 -18.843 46.058 1.00 -1.39 C ATOM 590 1HD PRO A 39 -45.666 -19.204 47.051 1.00 -1.39 H ATOM 591 2HD PRO A 39 -46.770 -19.416 45.646 1.00 -1.39 H TER 592 PRO A 39 CONECT 68 65 508 CONECT 166 163 415 CONECT 243 240 518 CONECT 415 166 412 CONECT 508 68 505 CONECT 518 243 515 END
SEQUENCE	DPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKPP
HELICITY	5.10	INSTAB. INDEX	51.07	FLEXIBILITY	11.72
a HYD. MOM.	47.46	b HYD. MOM.	18.79	c HYD. MOM	5.78
a MEAN HYD. MOM.	1.22	b MEAN HYD. MOM.	0.48	c MEAN HYD. MOM.	0.15
CHARGE pH5	6.98	CHARGE pH7	5.82	CHARGE pH9	0.64
Δ CHARGE pH5-pH9	6.33	ISOELECTRIC POINT	9.30	BOMAN INDEX	1.12
ΔG	23	CPP	0,19	MLP	-14,42
MOLECULAR VOLUME		POLARITY
MIC E. coli	11	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Mammalia	ORDER	Primates
FAMILY	Hominidae	GENUS	Homo	SPECIES	Homo sapiens
DATE	2000
TITLE PAPER	Transcriptional regulation of beta-defensin gene expression in tracheal epithelial cells.