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ID	2362	NAME	hBD2   Blast NCBI-PROT
LENGTH	40	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\GIGPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKP.pdb REMARK YASARA Written on: Wed May 14 19:04:53 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 598 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 40 GLY ILE GLY PRO VAL THR CYS LEU LYS SER GLY ALA ILE SEQRES 2 A 40 CYS HIS PRO VAL PHE CYS PRO ARG ARG TYR LYS GLN ILE SEQRES 3 A 40 GLY THR CYS GLY LEU PRO GLY THR LYS CYS CYS LYS LYS SEQRES 4 A 40 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 7 CYS A 36 2.03 SSBOND 3 CYS A 14 CYS A 29 2.03 SSBOND 5 CYS A 19 CYS A 37 2.03 ATOM 1 N GLY A 1 -25.721 -19.787 40.688 1.00-33.21 N ATOM 2 1H GLY A 1 -25.125 -19.244 40.081 1.00-33.21 H ATOM 3 2H GLY A 1 -25.851 -20.710 40.297 1.00-33.21 H ATOM 4 3H GLY A 1 -25.291 -19.873 41.598 1.00-33.21 H ATOM 5 CA GLY A 1 -27.036 -19.122 40.827 1.00-33.21 C ATOM 6 1HA GLY A 1 -26.897 -18.126 41.244 1.00-33.21 H ATOM 7 2HA GLY A 1 -27.508 -19.045 39.848 1.00-33.21 H ATOM 8 C GLY A 1 -27.925 -19.918 41.739 1.00-33.21 C ATOM 9 O GLY A 1 -27.404 -20.846 42.342 1.00-33.21 O ATOM 10 N ILE A 2 -29.209 -19.608 41.843 1.00 -0.08 N ATOM 11 H ILE A 2 -29.603 -18.831 41.333 1.00 -0.08 H ATOM 12 CA ILE A 2 -30.134 -20.431 42.621 1.00 -0.08 C ATOM 13 HA ILE A 2 -29.733 -20.617 43.617 1.00 -0.08 H ATOM 14 C ILE A 2 -30.201 -21.737 41.827 1.00 -0.08 C ATOM 15 O ILE A 2 -30.412 -21.694 40.625 1.00 -0.08 O ATOM 16 CB ILE A 2 -31.537 -19.743 42.721 1.00 -0.08 C ATOM 17 HB ILE A 2 -31.896 -19.554 41.713 1.00 -0.08 H ATOM 18 CG1 ILE A 2 -31.410 -18.390 43.452 1.00 -0.08 C ATOM 19 1HG1 ILE A 2 -31.098 -18.578 44.480 1.00 -0.08 H ATOM 20 2HG1 ILE A 2 -30.635 -17.796 42.970 1.00 -0.08 H ATOM 21 CG2 ILE A 2 -32.565 -20.638 43.435 1.00 -0.08 C ATOM 22 1HG2 ILE A 2 -33.555 -20.186 43.377 1.00 -0.08 H ATOM 23 2HG2 ILE A 2 -32.303 -20.764 44.485 1.00 -0.08 H ATOM 24 3HG2 ILE A 2 -32.622 -21.608 42.945 1.00 -0.08 H ATOM 25 CD1 ILE A 2 -32.686 -17.538 43.483 1.00 -0.08 C ATOM 26 1HD1 ILE A 2 -32.450 -16.544 43.867 1.00 -0.08 H ATOM 27 2HD1 ILE A 2 -33.430 -17.993 44.136 1.00 -0.08 H ATOM 28 3HD1 ILE A 2 -33.097 -17.439 42.479 1.00 -0.08 H ATOM 29 N GLY A 3 -29.955 -22.881 42.451 1.00 11.40 N ATOM 30 H GLY A 3 -29.734 -22.885 43.435 1.00 11.40 H ATOM 31 CA GLY A 3 -30.048 -24.151 41.744 1.00 11.40 C ATOM 32 1HA GLY A 3 -29.850 -24.013 40.680 1.00 11.40 H ATOM 33 2HA GLY A 3 -29.329 -24.859 42.155 1.00 11.40 H ATOM 34 C GLY A 3 -31.452 -24.684 41.936 1.00 11.40 C ATOM 35 O GLY A 3 -32.168 -24.116 42.759 1.00 11.40 O ATOM 36 N PRO A 4 -31.886 -25.771 41.279 1.00 2.59 N ATOM 37 CA PRO A 4 -33.278 -26.160 41.547 1.00 2.59 C ATOM 38 HA PRO A 4 -33.940 -25.312 41.372 1.00 2.59 H ATOM 39 C PRO A 4 -33.524 -26.680 42.967 1.00 2.59 C ATOM 40 O PRO A 4 -34.611 -26.525 43.509 1.00 2.59 O ATOM 41 CB PRO A 4 -33.537 -27.235 40.488 1.00 2.59 C ATOM 42 1HB PRO A 4 -34.258 -27.972 40.843 1.00 2.59 H ATOM 43 2HB PRO A 4 -33.887 -26.773 39.565 1.00 2.59 H ATOM 44 CG PRO A 4 -32.197 -27.849 40.258 1.00 2.59 C ATOM 45 1HG PRO A 4 -31.960 -28.546 41.062 1.00 2.59 H ATOM 46 2HG PRO A 4 -32.159 -28.351 39.291 1.00 2.59 H ATOM 47 CD PRO A 4 -31.255 -26.666 40.290 1.00 2.59 C ATOM 48 1HD PRO A 4 -30.260 -26.974 40.611 1.00 2.59 H ATOM 49 2HD PRO A 4 -31.215 -26.183 39.311 1.00 2.59 H ATOM 50 N VAL A 5 -32.504 -27.226 43.616 1.00-15.25 N ATOM 51 H VAL A 5 -31.628 -27.363 43.139 1.00-15.25 H ATOM 52 CA VAL A 5 -32.625 -27.652 45.011 1.00-15.25 C ATOM 53 HA VAL A 5 -33.512 -28.279 45.116 1.00-15.25 H ATOM 54 C VAL A 5 -32.790 -26.422 45.903 1.00-15.25 C ATOM 55 O VAL A 5 -33.608 -26.397 46.820 1.00-15.25 O ATOM 56 CB VAL A 5 -31.371 -28.466 45.445 1.00-15.25 C ATOM 57 HB VAL A 5 -30.493 -27.828 45.347 1.00-15.25 H ATOM 58 CG1 VAL A 5 -31.475 -28.935 46.904 1.00-15.25 C ATOM 59 1HG1 VAL A 5 -30.596 -29.529 47.161 1.00-15.25 H ATOM 60 2HG1 VAL A 5 -32.371 -29.546 47.036 1.00-15.25 H ATOM 61 3HG1 VAL A 5 -31.525 -28.075 47.569 1.00-15.25 H ATOM 62 CG2 VAL A 5 -31.181 -29.685 44.526 1.00-15.25 C ATOM 63 1HG2 VAL A 5 -30.334 -30.280 44.872 1.00-15.25 H ATOM 64 2HG2 VAL A 5 -30.975 -29.372 43.504 1.00-15.25 H ATOM 65 3HG2 VAL A 5 -32.077 -30.311 44.536 1.00-15.25 H ATOM 66 N THR A 6 -32.034 -25.376 45.607 1.00 -3.27 N ATOM 67 H THR A 6 -31.386 -25.418 44.837 1.00 -3.27 H ATOM 68 CA THR A 6 -32.111 -24.127 46.356 1.00 -3.27 C ATOM 69 HA THR A 6 -31.959 -24.327 47.415 1.00 -3.27 H ATOM 70 C THR A 6 -33.476 -23.482 46.149 1.00 -3.27 C ATOM 71 O THR A 6 -34.069 -22.942 47.075 1.00 -3.27 O ATOM 72 CB THR A 6 -31.032 -23.159 45.841 1.00 -3.27 C ATOM 73 HB THR A 6 -31.367 -22.728 44.902 1.00 -3.27 H ATOM 74 OG1 THR A 6 -29.833 -23.893 45.582 1.00 -3.27 O ATOM 75 HG1 THR A 6 -29.269 -23.826 46.359 1.00 -3.27 H ATOM 76 CG2 THR A 6 -30.713 -22.053 46.825 1.00 -3.27 C ATOM 77 1HG2 THR A 6 -29.936 -21.410 46.411 1.00 -3.27 H ATOM 78 2HG2 THR A 6 -30.369 -22.472 47.770 1.00 -3.27 H ATOM 79 3HG2 THR A 6 -31.606 -21.449 47.006 1.00 -3.27 H ATOM 80 N CYS A 7 -33.980 -23.598 44.929 1.00 -2.46 N ATOM 81 H CYS A 7 -33.439 -24.067 44.211 1.00 -2.46 H ATOM 82 CA CYS A 7 -35.279 -23.055 44.558 1.00 -2.46 C ATOM 83 HA CYS A 7 -35.282 -21.985 44.771 1.00 -2.46 H ATOM 84 C CYS A 7 -36.362 -23.722 45.403 1.00 -2.46 C ATOM 85 O CYS A 7 -37.109 -23.041 46.101 1.00 -2.46 O ATOM 86 CB CYS A 7 -35.504 -23.276 43.053 1.00 -2.46 C ATOM 87 1HB CYS A 7 -34.596 -22.987 42.525 1.00 -2.46 H ATOM 88 2HB CYS A 7 -35.675 -24.336 42.877 1.00 -2.46 H ATOM 89 SG CYS A 7 -36.883 -22.346 42.320 1.00 -2.46 S ATOM 90 N LEU A 8 -36.380 -25.046 45.452 1.00 -1.12 N ATOM 91 H LEU A 8 -35.716 -25.583 44.900 1.00 -1.12 H ATOM 92 CA LEU A 8 -37.376 -25.756 46.258 1.00 -1.12 C ATOM 93 HA LEU A 8 -38.368 -25.456 45.928 1.00 -1.12 H ATOM 94 C LEU A 8 -37.287 -25.399 47.738 1.00 -1.12 C ATOM 95 O LEU A 8 -38.303 -25.191 48.397 1.00 -1.12 O ATOM 96 CB LEU A 8 -37.227 -27.267 46.063 1.00 -1.12 C ATOM 97 1HB LEU A 8 -36.192 -27.531 46.276 1.00 -1.12 H ATOM 98 2HB LEU A 8 -37.859 -27.767 46.797 1.00 -1.12 H ATOM 99 CG LEU A 8 -37.593 -27.815 44.672 1.00 -1.12 C ATOM 100 HG LEU A 8 -37.060 -27.244 43.916 1.00 -1.12 H ATOM 101 CD1 LEU A 8 -37.143 -29.270 44.566 1.00 -1.12 C ATOM 102 1HD1 LEU A 8 -37.380 -29.655 43.573 1.00 -1.12 H ATOM 103 2HD1 LEU A 8 -37.650 -29.879 45.316 1.00 -1.12 H ATOM 104 3HD1 LEU A 8 -36.065 -29.332 44.713 1.00 -1.12 H ATOM 105 CD2 LEU A 8 -39.090 -27.720 44.370 1.00 -1.12 C ATOM 106 1HD2 LEU A 8 -39.297 -28.149 43.391 1.00 -1.12 H ATOM 107 2HD2 LEU A 8 -39.399 -26.674 44.361 1.00 -1.12 H ATOM 108 3HD2 LEU A 8 -39.662 -28.254 45.129 1.00 -1.12 H ATOM 109 N LYS A 9 -36.077 -25.249 48.260 1.00-23.33 N ATOM 110 H LYS A 9 -35.261 -25.408 47.677 1.00-23.33 H ATOM 111 CA LYS A 9 -35.902 -24.853 49.662 1.00-23.33 C ATOM 112 HA LYS A 9 -36.538 -25.488 50.280 1.00-23.33 H ATOM 113 C LYS A 9 -36.330 -23.418 49.963 1.00-23.33 C ATOM 114 O LYS A 9 -36.600 -23.094 51.111 1.00-23.33 O ATOM 115 CB LYS A 9 -34.451 -25.057 50.102 1.00-23.33 C ATOM 116 1HB LYS A 9 -33.788 -24.563 49.393 1.00-23.33 H ATOM 117 2HB LYS A 9 -34.322 -24.594 51.081 1.00-23.33 H ATOM 118 CG LYS A 9 -34.074 -26.527 50.223 1.00-23.33 C ATOM 119 1HG LYS A 9 -34.767 -27.009 50.914 1.00-23.33 H ATOM 120 2HG LYS A 9 -34.156 -27.012 49.253 1.00-23.33 H ATOM 121 CD LYS A 9 -32.660 -26.696 50.750 1.00-23.33 C ATOM 122 1HD LYS A 9 -31.960 -26.218 50.065 1.00-23.33 H ATOM 123 2HD LYS A 9 -32.590 -26.220 51.729 1.00-23.33 H ATOM 124 CE LYS A 9 -32.320 -28.177 50.885 1.00-23.33 C ATOM 125 1HE LYS A 9 -33.073 -28.652 51.519 1.00-23.33 H ATOM 126 2HE LYS A 9 -32.359 -28.642 49.897 1.00-23.33 H ATOM 127 NZ LYS A 9 -30.960 -28.388 51.492 1.00-23.33 N ATOM 128 1HZ LYS A 9 -30.769 -29.378 51.573 1.00-23.33 H ATOM 129 2HZ LYS A 9 -30.928 -27.971 52.413 1.00-23.33 H ATOM 130 3HZ LYS A 9 -30.252 -27.960 50.911 1.00-23.33 H ATOM 131 N SER A 10 -36.431 -22.569 48.952 1.00-14.32 N ATOM 132 H SER A 10 -36.177 -22.874 48.020 1.00-14.32 H ATOM 133 CA SER A 10 -36.904 -21.195 49.143 1.00-14.32 C ATOM 134 HA SER A 10 -36.635 -20.872 50.149 1.00-14.32 H ATOM 135 C SER A 10 -38.424 -21.081 49.007 1.00-14.32 C ATOM 136 O SER A 10 -38.982 -19.982 49.079 1.00-14.32 O ATOM 137 CB SER A 10 -36.216 -20.249 48.154 1.00-14.32 C ATOM 138 1HB SER A 10 -36.463 -19.221 48.420 1.00-14.32 H ATOM 139 2HB SER A 10 -35.137 -20.381 48.232 1.00-14.32 H ATOM 140 OG SER A 10 -36.618 -20.476 46.816 1.00-14.32 O ATOM 141 HG SER A 10 -36.669 -21.430 46.646 1.00-14.32 H ATOM 142 N GLY A 11 -39.104 -22.204 48.800 1.00-12.40 N ATOM 143 H GLY A 11 -38.622 -23.099 48.774 1.00-12.40 H ATOM 144 CA GLY A 11 -40.547 -22.181 48.605 1.00-12.40 C ATOM 145 1HA GLY A 11 -40.959 -23.158 48.855 1.00-12.40 H ATOM 146 2HA GLY A 11 -40.990 -21.429 49.257 1.00-12.40 H ATOM 147 C GLY A 11 -40.895 -21.851 47.167 1.00-12.40 C ATOM 148 O GLY A 11 -41.957 -21.288 46.861 1.00-12.40 O ATOM 149 N ALA A 12 -39.974 -22.166 46.271 1.00 9.71 N ATOM 150 H ALA A 12 -39.134 -22.663 46.550 1.00 9.71 H ATOM 151 CA ALA A 12 -40.100 -21.817 44.869 1.00 9.71 C ATOM 152 HA ALA A 12 -41.069 -21.355 44.705 1.00 9.71 H ATOM 153 C ALA A 12 -40.043 -23.043 43.970 1.00 9.71 C ATOM 154 O ALA A 12 -39.438 -24.053 44.299 1.00 9.71 O ATOM 155 CB ALA A 12 -39.013 -20.810 44.524 1.00 9.71 C ATOM 156 1HB ALA A 12 -39.056 -19.962 45.205 1.00 9.71 H ATOM 157 2HB ALA A 12 -39.135 -20.465 43.499 1.00 9.71 H ATOM 158 3HB ALA A 12 -38.038 -21.275 44.629 1.00 9.71 H ATOM 159 N ILE A 13 -40.711 -22.947 42.832 1.00 -6.68 N ATOM 160 H ILE A 13 -41.169 -22.070 42.597 1.00 -6.68 H ATOM 161 CA ILE A 13 -40.850 -24.068 41.910 1.00 -6.68 C ATOM 162 HA ILE A 13 -40.270 -24.919 42.264 1.00 -6.68 H ATOM 163 C ILE A 13 -40.267 -23.600 40.584 1.00 -6.68 C ATOM 164 O ILE A 13 -40.544 -22.484 40.130 1.00 -6.68 O ATOM 165 CB ILE A 13 -42.346 -24.498 41.785 1.00 -6.68 C ATOM 166 HB ILE A 13 -42.920 -23.641 41.437 1.00 -6.68 H ATOM 167 CG1 ILE A 13 -42.891 -24.918 43.169 1.00 -6.68 C ATOM 168 1HG1 ILE A 13 -42.352 -25.808 43.495 1.00 -6.68 H ATOM 169 2HG1 ILE A 13 -42.688 -24.126 43.888 1.00 -6.68 H ATOM 170 CG2 ILE A 13 -42.513 -25.652 40.760 1.00 -6.68 C ATOM 171 1HG2 ILE A 13 -43.566 -25.902 40.637 1.00 -6.68 H ATOM 172 2HG2 ILE A 13 -41.973 -26.540 41.093 1.00 -6.68 H ATOM 173 3HG2 ILE A 13 -42.138 -25.349 39.781 1.00 -6.68 H ATOM 174 CD1 ILE A 13 -44.399 -25.214 43.243 1.00 -6.68 C ATOM 175 1HD1 ILE A 13 -44.677 -25.388 44.283 1.00 -6.68 H ATOM 176 2HD1 ILE A 13 -44.637 -26.107 42.664 1.00 -6.68 H ATOM 177 3HD1 ILE A 13 -44.963 -24.368 42.858 1.00 -6.68 H ATOM 178 N CYS A 14 -39.435 -24.429 39.974 1.00-22.00 N ATOM 179 H CYS A 14 -39.205 -25.312 40.399 1.00-22.00 H ATOM 180 CA CYS A 14 -38.880 -24.114 38.665 1.00-22.00 C ATOM 181 HA CYS A 14 -38.491 -23.099 38.680 1.00-22.00 H ATOM 182 C CYS A 14 -39.962 -24.226 37.598 1.00-22.00 C ATOM 183 O CYS A 14 -40.667 -25.227 37.531 1.00-22.00 O ATOM 184 CB CYS A 14 -37.748 -25.082 38.323 1.00-22.00 C ATOM 185 1HB CYS A 14 -38.147 -26.098 38.309 1.00-22.00 H ATOM 186 2HB CYS A 14 -37.366 -24.845 37.330 1.00-22.00 H ATOM 187 SG CYS A 14 -36.386 -24.989 39.522 1.00-22.00 S ATOM 188 N HIS A 15 -40.058 -23.221 36.744 1.00 -9.52 N ATOM 189 H HIS A 15 -39.457 -22.406 36.864 1.00 -9.52 H ATOM 190 CA HIS A 15 -40.970 -23.233 35.605 1.00 -9.52 C ATOM 191 HA HIS A 15 -41.405 -24.223 35.480 1.00 -9.52 H ATOM 192 C HIS A 15 -40.094 -22.899 34.402 1.00 -9.52 C ATOM 193 O HIS A 15 -39.090 -22.203 34.559 1.00 -9.52 O ATOM 194 CB HIS A 15 -42.086 -22.205 35.795 1.00 -9.52 C ATOM 195 1HB HIS A 15 -41.640 -21.237 36.013 1.00 -9.52 H ATOM 196 2HB HIS A 15 -42.643 -22.124 34.863 1.00 -9.52 H ATOM 197 CG HIS A 15 -43.057 -22.562 36.879 1.00 -9.52 C ATOM 198 ND1 HIS A 15 -42.818 -22.417 38.223 1.00 -9.52 N ATOM 199 HD1 HIS A 15 -41.948 -22.110 38.649 1.00 -9.52 H ATOM 200 CD2 HIS A 15 -44.309 -23.086 36.802 1.00 -9.52 C ATOM 201 HD2 HIS A 15 -44.815 -23.344 35.883 1.00 -9.52 H ATOM 202 CE1 HIS A 15 -43.910 -22.798 38.885 1.00 -9.52 C ATOM 203 HE1 HIS A 15 -44.014 -22.770 39.960 1.00 -9.52 H ATOM 204 NE2 HIS A 15 -44.846 -23.225 38.063 1.00 -9.52 N ATOM 205 N PRO A 16 -40.398 -23.440 33.210 1.00 8.20 N ATOM 206 CA PRO A 16 -39.378 -23.292 32.163 1.00 8.20 C ATOM 207 HA PRO A 16 -38.396 -23.523 32.577 1.00 8.20 H ATOM 208 C PRO A 16 -39.275 -21.953 31.428 1.00 8.20 C ATOM 209 O PRO A 16 -38.247 -21.694 30.819 1.00 8.20 O ATOM 210 CB PRO A 16 -39.766 -24.396 31.178 1.00 8.20 C ATOM 211 1HB PRO A 16 -39.447 -24.150 30.165 1.00 8.20 H ATOM 212 2HB PRO A 16 -39.336 -25.346 31.492 1.00 8.20 H ATOM 213 CG PRO A 16 -41.252 -24.456 31.281 1.00 8.20 C ATOM 214 1HG PRO A 16 -41.702 -23.635 30.724 1.00 8.20 H ATOM 215 2HG PRO A 16 -41.629 -25.414 30.921 1.00 8.20 H ATOM 216 CD PRO A 16 -41.514 -24.295 32.758 1.00 8.20 C ATOM 217 1HD PRO A 16 -42.477 -23.810 32.926 1.00 8.20 H ATOM 218 2HD PRO A 16 -41.474 -25.264 33.259 1.00 8.20 H ATOM 219 N VAL A 17 -40.327 -21.138 31.427 1.00 7.40 N ATOM 220 H VAL A 17 -41.144 -21.397 31.949 1.00 7.40 H ATOM 221 CA VAL A 17 -40.353 -19.905 30.618 1.00 7.40 C ATOM 222 HA VAL A 17 -39.338 -19.676 30.292 1.00 7.40 H ATOM 223 C VAL A 17 -40.879 -18.685 31.377 1.00 7.40 C ATOM 224 O VAL A 17 -40.327 -17.591 31.280 1.00 7.40 O ATOM 225 CB VAL A 17 -41.240 -20.101 29.337 1.00 7.40 C ATOM 226 HB VAL A 17 -42.266 -20.285 29.652 1.00 7.40 H ATOM 227 CG1 VAL A 17 -41.222 -18.858 28.428 1.00 7.40 C ATOM 228 1HG1 VAL A 17 -41.828 -19.038 27.539 1.00 7.40 H ATOM 229 2HG1 VAL A 17 -40.197 -18.634 28.122 1.00 7.40 H ATOM 230 3HG1 VAL A 17 -41.631 -17.996 28.954 1.00 7.40 H ATOM 231 CG2 VAL A 17 -40.777 -21.313 28.507 1.00 7.40 C ATOM 232 1HG2 VAL A 17 -41.353 -21.376 27.583 1.00 7.40 H ATOM 233 2HG2 VAL A 17 -40.926 -22.232 29.065 1.00 7.40 H ATOM 234 3HG2 VAL A 17 -39.716 -21.214 28.262 1.00 7.40 H ATOM 235 N PHE A 18 -41.947 -18.854 32.141 1.00 0.54 N ATOM 236 H PHE A 18 -42.368 -19.762 32.254 1.00 0.54 H ATOM 237 CA PHE A 18 -42.584 -17.752 32.856 1.00 0.54 C ATOM 238 HA PHE A 18 -41.858 -16.971 33.079 1.00 0.54 H ATOM 239 C PHE A 18 -43.101 -18.346 34.154 1.00 0.54 C ATOM 240 O PHE A 18 -43.176 -19.567 34.265 1.00 0.54 O ATOM 241 CB PHE A 18 -43.735 -17.164 32.027 1.00 0.54 C ATOM 242 1HB PHE A 18 -44.227 -16.384 32.608 1.00 0.54 H ATOM 243 2HB PHE A 18 -43.316 -16.708 31.130 1.00 0.54 H ATOM 244 CG PHE A 18 -44.766 -18.183 31.603 1.00 0.54 C ATOM 245 CD1 PHE A 18 -45.814 -18.555 32.468 1.00 0.54 C ATOM 246 HD1 PHE A 18 -45.897 -18.096 33.440 1.00 0.54 H ATOM 247 CD2 PHE A 18 -44.699 -18.770 30.327 1.00 0.54 C ATOM 248 HD2 PHE A 18 -43.922 -18.472 29.639 1.00 0.54 H ATOM 249 CE1 PHE A 18 -46.761 -19.535 32.084 1.00 0.54 C ATOM 250 HE1 PHE A 18 -47.550 -19.821 32.764 1.00 0.54 H ATOM 251 CE2 PHE A 18 -45.639 -19.749 29.924 1.00 0.54 C ATOM 252 HE2 PHE A 18 -45.573 -20.193 28.941 1.00 0.54 H ATOM 253 CZ PHE A 18 -46.670 -20.137 30.809 1.00 0.54 C ATOM 254 HZ PHE A 18 -47.391 -20.885 30.509 1.00 0.54 H ATOM 255 N CYS A 19 -43.467 -17.501 35.107 1.00-10.49 N ATOM 256 H CYS A 19 -43.396 -16.510 34.951 1.00-10.49 H ATOM 257 CA CYS A 19 -44.059 -17.954 36.362 1.00-10.49 C ATOM 258 HA CYS A 19 -43.790 -18.994 36.540 1.00-10.49 H ATOM 259 C CYS A 19 -45.577 -17.814 36.277 1.00-10.49 C ATOM 260 O CYS A 19 -46.064 -16.887 35.617 1.00-10.49 O ATOM 261 CB CYS A 19 -43.561 -17.086 37.523 1.00-10.49 C ATOM 262 1HB CYS A 19 -43.828 -16.047 37.327 1.00-10.49 H ATOM 263 2HB CYS A 19 -44.078 -17.398 38.427 1.00-10.49 H ATOM 264 SG CYS A 19 -41.770 -17.193 37.828 1.00-10.49 S ATOM 265 N PRO A 20 -46.341 -18.690 36.956 1.00 1.11 N ATOM 266 CA PRO A 20 -47.781 -18.409 37.014 1.00 1.11 C ATOM 267 HA PRO A 20 -48.211 -18.411 36.013 1.00 1.11 H ATOM 268 C PRO A 20 -48.043 -17.082 37.721 1.00 1.11 C ATOM 269 O PRO A 20 -47.268 -16.655 38.575 1.00 1.11 O ATOM 270 CB PRO A 20 -48.331 -19.568 37.853 1.00 1.11 C ATOM 271 1HB PRO A 20 -48.421 -19.260 38.892 1.00 1.11 H ATOM 272 2HB PRO A 20 -49.295 -19.904 37.472 1.00 1.11 H ATOM 273 CG PRO A 20 -47.311 -20.640 37.731 1.00 1.11 C ATOM 274 1HG PRO A 20 -47.369 -21.335 38.569 1.00 1.11 H ATOM 275 2HG PRO A 20 -47.435 -21.167 36.784 1.00 1.11 H ATOM 276 CD PRO A 20 -46.012 -19.895 37.737 1.00 1.11 C ATOM 277 1HD PRO A 20 -45.722 -19.629 38.753 1.00 1.11 H ATOM 278 2HD PRO A 20 -45.234 -20.482 37.250 1.00 1.11 H ATOM 279 N ARG A 21 -49.138 -16.410 37.395 1.00-10.73 N ATOM 280 H ARG A 21 -49.776 -16.795 36.719 1.00-10.73 H ATOM 281 CA ARG A 21 -49.408 -15.108 38.012 1.00-10.73 C ATOM 282 HA ARG A 21 -48.539 -14.471 37.837 1.00-10.73 H ATOM 283 C ARG A 21 -49.567 -15.277 39.521 1.00-10.73 C ATOM 284 O ARG A 21 -50.291 -16.179 39.960 1.00-10.73 O ATOM 285 CB ARG A 21 -50.645 -14.444 37.396 1.00-10.73 C ATOM 286 1HB ARG A 21 -51.502 -15.106 37.520 1.00-10.73 H ATOM 287 2HB ARG A 21 -50.842 -13.517 37.935 1.00-10.73 H ATOM 288 CG ARG A 21 -50.478 -14.114 35.911 1.00-10.73 C ATOM 289 1HG ARG A 21 -49.591 -13.492 35.785 1.00-10.73 H ATOM 290 2HG ARG A 21 -50.343 -15.038 35.348 1.00-10.73 H ATOM 291 CD ARG A 21 -51.686 -13.368 35.354 1.00-10.73 C ATOM 292 1HD ARG A 21 -52.580 -13.972 35.511 1.00-10.73 H ATOM 293 2HD ARG A 21 -51.796 -12.422 35.888 1.00-10.73 H ATOM 294 NE ARG A 21 -51.531 -13.098 33.915 1.00-10.73 N ATOM 295 HE ARG A 21 -50.685 -13.437 33.484 1.00-10.73 H ATOM 296 CZ ARG A 21 -52.392 -12.452 33.137 1.00-10.73 C ATOM 297 NH1 ARG A 21 -52.109 -12.305 31.872 1.00-10.73 N ATOM 298 1HH1 ARG A 21 -51.254 -12.682 31.491 1.00-10.73 H ATOM 299 2HH1 ARG A 21 -52.745 -11.811 31.265 1.00-10.73 H ATOM 300 NH2 ARG A 21 -53.523 -11.947 33.565 1.00-10.73 N ATOM 301 1HH2 ARG A 21 -53.773 -12.032 34.538 1.00-10.73 H ATOM 302 2HH2 ARG A 21 -54.145 -11.473 32.929 1.00-10.73 H ATOM 303 N ARG A 22 -48.868 -14.404 40.249 1.00 3.74 N ATOM 304 H ARG A 22 -48.317 -13.736 39.728 1.00 3.74 H ATOM 305 CA ARG A 22 -48.741 -14.297 41.726 1.00 3.74 C ATOM 306 HA ARG A 22 -48.497 -13.258 41.949 1.00 3.74 H ATOM 307 C ARG A 22 -47.570 -15.110 42.274 1.00 3.74 C ATOM 308 O ARG A 22 -47.172 -14.910 43.423 1.00 3.74 O ATOM 309 CB ARG A 22 -50.013 -14.637 42.521 1.00 3.74 C ATOM 310 1HB ARG A 22 -50.230 -15.691 42.371 1.00 3.74 H ATOM 311 2HB ARG A 22 -49.813 -14.503 43.585 1.00 3.74 H ATOM 312 CG ARG A 22 -51.241 -13.789 42.158 1.00 3.74 C ATOM 313 1HG ARG A 22 -51.190 -12.839 42.691 1.00 3.74 H ATOM 314 2HG ARG A 22 -51.244 -13.585 41.089 1.00 3.74 H ATOM 315 CD ARG A 22 -52.542 -14.505 42.498 1.00 3.74 C ATOM 316 1HD ARG A 22 -52.537 -14.791 43.551 1.00 3.74 H ATOM 317 2HD ARG A 22 -53.377 -13.828 42.312 1.00 3.74 H ATOM 318 NE ARG A 22 -52.687 -15.703 41.654 1.00 3.74 N ATOM 319 HE ARG A 22 -51.893 -15.923 41.055 1.00 3.74 H ATOM 320 CZ ARG A 22 -53.728 -16.522 41.603 1.00 3.74 C ATOM 321 NH1 ARG A 22 -53.662 -17.547 40.801 1.00 3.74 N ATOM 322 1HH1 ARG A 22 -52.825 -17.704 40.258 1.00 3.74 H ATOM 323 2HH1 ARG A 22 -54.437 -18.186 40.726 1.00 3.74 H ATOM 324 NH2 ARG A 22 -54.821 -16.356 42.305 1.00 3.74 N ATOM 325 1HH2 ARG A 22 -54.894 -15.571 42.935 1.00 3.74 H ATOM 326 2HH2 ARG A 22 -55.591 -17.000 42.217 1.00 3.74 H ATOM 327 N TYR A 23 -46.967 -15.957 41.454 1.00 19.69 N ATOM 328 H TYR A 23 -47.301 -16.105 40.509 1.00 19.69 H ATOM 329 CA TYR A 23 -45.690 -16.561 41.823 1.00 19.69 C ATOM 330 HA TYR A 23 -45.638 -16.739 42.896 1.00 19.69 H ATOM 331 C TYR A 23 -44.675 -15.498 41.421 1.00 19.69 C ATOM 332 O TYR A 23 -44.940 -14.669 40.548 1.00 19.69 O ATOM 333 CB TYR A 23 -45.367 -17.844 41.061 1.00 19.69 C ATOM 334 1HB TYR A 23 -45.513 -17.662 40.003 1.00 19.69 H ATOM 335 2HB TYR A 23 -44.314 -18.047 41.221 1.00 19.69 H ATOM 336 CG TYR A 23 -46.121 -19.104 41.442 1.00 19.69 C ATOM 337 CD1 TYR A 23 -47.533 -19.153 41.470 1.00 19.69 C ATOM 338 HD1 TYR A 23 -48.112 -18.263 41.277 1.00 19.69 H ATOM 339 CD2 TYR A 23 -45.406 -20.293 41.697 1.00 19.69 C ATOM 340 HD2 TYR A 23 -44.326 -20.284 41.701 1.00 19.69 H ATOM 341 CE1 TYR A 23 -48.212 -20.376 41.719 1.00 19.69 C ATOM 342 HE1 TYR A 23 -49.290 -20.411 41.730 1.00 19.69 H ATOM 343 CE2 TYR A 23 -46.082 -21.517 41.920 1.00 19.69 C ATOM 344 HE2 TYR A 23 -45.517 -22.420 42.080 1.00 19.69 H ATOM 345 CZ TYR A 23 -47.477 -21.546 41.923 1.00 19.69 C ATOM 346 OH TYR A 23 -48.139 -22.728 42.140 1.00 19.69 O ATOM 347 HH TYR A 23 -47.551 -23.487 42.115 1.00 19.69 H ATOM 348 N LYS A 24 -43.526 -15.500 42.076 1.00 -7.76 N ATOM 349 H LYS A 24 -43.351 -16.244 42.753 1.00 -7.76 H ATOM 350 CA LYS A 24 -42.587 -14.381 42.029 1.00 -7.76 C ATOM 351 HA LYS A 24 -42.987 -13.583 41.404 1.00 -7.76 H ATOM 352 C LYS A 24 -41.260 -14.864 41.464 1.00 -7.76 C ATOM 353 O LYS A 24 -40.677 -15.788 42.016 1.00 -7.76 O ATOM 354 CB LYS A 24 -42.419 -13.876 43.468 1.00 -7.76 C ATOM 355 1HB LYS A 24 -41.981 -14.683 44.052 1.00 -7.76 H ATOM 356 2HB LYS A 24 -41.736 -13.026 43.487 1.00 -7.76 H ATOM 357 CG LYS A 24 -43.751 -13.486 44.134 1.00 -7.76 C ATOM 358 1HG LYS A 24 -44.119 -12.553 43.707 1.00 -7.76 H ATOM 359 2HG LYS A 24 -44.486 -14.260 43.943 1.00 -7.76 H ATOM 360 CD LYS A 24 -43.630 -13.355 45.643 1.00 -7.76 C ATOM 361 1HD LYS A 24 -43.129 -14.239 46.039 1.00 -7.76 H ATOM 362 2HD LYS A 24 -43.038 -12.472 45.885 1.00 -7.76 H ATOM 363 CE LYS A 24 -45.012 -13.250 46.297 1.00 -7.76 C ATOM 364 1HE LYS A 24 -44.877 -13.062 47.365 1.00 -7.76 H ATOM 365 2HE LYS A 24 -45.559 -12.415 45.859 1.00 -7.76 H ATOM 366 NZ LYS A 24 -45.813 -14.518 46.139 1.00 -7.76 N ATOM 367 1HZ LYS A 24 -46.655 -14.467 46.692 1.00 -7.76 H ATOM 368 2HZ LYS A 24 -45.268 -15.305 46.479 1.00 -7.76 H ATOM 369 3HZ LYS A 24 -46.059 -14.677 45.167 1.00 -7.76 H ATOM 370 N GLN A 25 -40.788 -14.290 40.368 1.00 -6.00 N ATOM 371 H GLN A 25 -41.293 -13.535 39.935 1.00 -6.00 H ATOM 372 CA GLN A 25 -39.508 -14.713 39.794 1.00 -6.00 C ATOM 373 HA GLN A 25 -39.469 -15.801 39.753 1.00 -6.00 H ATOM 374 C GLN A 25 -38.387 -14.204 40.699 1.00 -6.00 C ATOM 375 O GLN A 25 -38.102 -13.011 40.705 1.00 -6.00 O ATOM 376 CB GLN A 25 -39.314 -14.140 38.382 1.00 -6.00 C ATOM 377 1HB GLN A 25 -40.138 -14.463 37.746 1.00 -6.00 H ATOM 378 2HB GLN A 25 -39.354 -13.053 38.452 1.00 -6.00 H ATOM 379 CG GLN A 25 -37.985 -14.540 37.717 1.00 -6.00 C ATOM 380 1HG GLN A 25 -37.212 -14.625 38.476 1.00 -6.00 H ATOM 381 2HG GLN A 25 -38.099 -15.511 37.240 1.00 -6.00 H ATOM 382 CD GLN A 25 -37.505 -13.519 36.701 1.00 -6.00 C ATOM 383 OE1 GLN A 25 -37.558 -13.730 35.493 1.00 -6.00 O ATOM 384 NE2 GLN A 25 -37.012 -12.409 37.183 1.00 -6.00 N ATOM 385 1HE2 GLN A 25 -36.672 -11.711 36.544 1.00 -6.00 H ATOM 386 2HE2 GLN A 25 -36.987 -12.256 38.182 1.00 -6.00 H ATOM 387 N ILE A 26 -37.740 -15.099 41.431 1.00 -6.73 N ATOM 388 H ILE A 26 -38.030 -16.077 41.402 1.00 -6.73 H ATOM 389 CA ILE A 26 -36.629 -14.722 42.309 1.00 -6.73 C ATOM 390 HA ILE A 26 -36.644 -13.641 42.450 1.00 -6.73 H ATOM 391 C ILE A 26 -35.281 -15.054 41.668 1.00 -6.73 C ATOM 392 O ILE A 26 -34.226 -14.773 42.225 1.00 -6.73 O ATOM 393 CB ILE A 26 -36.762 -15.364 43.719 1.00 -6.73 C ATOM 394 HB ILE A 26 -35.917 -15.027 44.320 1.00 -6.73 H ATOM 395 CG1 ILE A 26 -36.724 -16.903 43.647 1.00 -6.73 C ATOM 396 1HG1 ILE A 26 -37.653 -17.261 43.204 1.00 -6.73 H ATOM 397 2HG1 ILE A 26 -35.901 -17.205 43.001 1.00 -6.73 H ATOM 398 CG2 ILE A 26 -38.063 -14.862 44.401 1.00 -6.73 C ATOM 399 1HG2 ILE A 26 -38.076 -15.172 45.444 1.00 -6.73 H ATOM 400 2HG2 ILE A 26 -38.940 -15.263 43.892 1.00 -6.73 H ATOM 401 3HG2 ILE A 26 -38.097 -13.772 44.365 1.00 -6.73 H ATOM 402 CD1 ILE A 26 -36.531 -17.600 44.998 1.00 -6.73 C ATOM 403 1HD1 ILE A 26 -36.441 -18.674 44.840 1.00 -6.73 H ATOM 404 2HD1 ILE A 26 -37.381 -17.414 45.651 1.00 -6.73 H ATOM 405 3HD1 ILE A 26 -35.619 -17.239 45.475 1.00 -6.73 H ATOM 406 N GLY A 27 -35.313 -15.637 40.479 1.00 4.55 N ATOM 407 H GLY A 27 -36.193 -15.867 40.046 1.00 4.55 H ATOM 408 CA GLY A 27 -34.089 -15.972 39.774 1.00 4.55 C ATOM 409 1HA GLY A 27 -33.664 -15.074 39.326 1.00 4.55 H ATOM 410 2HA GLY A 27 -33.371 -16.395 40.477 1.00 4.55 H ATOM 411 C GLY A 27 -34.378 -16.985 38.692 1.00 4.55 C ATOM 412 O GLY A 27 -35.533 -17.132 38.284 1.00 4.55 O ATOM 413 N THR A 28 -33.356 -17.710 38.268 1.00 7.29 N ATOM 414 H THR A 28 -32.440 -17.563 38.659 1.00 7.29 H ATOM 415 CA THR A 28 -33.489 -18.823 37.331 1.00 7.29 C ATOM 416 HA THR A 28 -34.491 -18.873 36.911 1.00 7.29 H ATOM 417 C THR A 28 -33.209 -20.041 38.192 1.00 7.29 C ATOM 418 O THR A 28 -32.731 -19.868 39.309 1.00 7.29 O ATOM 419 CB THR A 28 -32.426 -18.771 36.208 1.00 7.29 C ATOM 420 HB THR A 28 -32.549 -19.635 35.556 1.00 7.29 H ATOM 421 OG1 THR A 28 -31.119 -18.794 36.790 1.00 7.29 O ATOM 422 HG1 THR A 28 -30.485 -18.870 36.068 1.00 7.29 H ATOM 423 CG2 THR A 28 -32.520 -17.495 35.387 1.00 7.29 C ATOM 424 1HG2 THR A 28 -31.839 -17.564 34.541 1.00 7.29 H ATOM 425 2HG2 THR A 28 -32.253 -16.632 35.997 1.00 7.29 H ATOM 426 3HG2 THR A 28 -33.536 -17.374 35.011 1.00 7.29 H ATOM 427 N CYS A 29 -33.408 -21.254 37.696 1.00 22.24 N ATOM 428 H CYS A 29 -33.794 -21.372 36.762 1.00 22.24 H ATOM 429 CA CYS A 29 -32.989 -22.451 38.432 1.00 22.24 C ATOM 430 HA CYS A 29 -32.920 -22.218 39.495 1.00 22.24 H ATOM 431 C CYS A 29 -31.596 -22.869 37.965 1.00 22.24 C ATOM 432 O CYS A 29 -31.298 -24.051 37.799 1.00 22.24 O ATOM 433 CB CYS A 29 -34.000 -23.583 38.261 1.00 22.24 C ATOM 434 1HB CYS A 29 -34.195 -23.755 37.202 1.00 22.24 H ATOM 435 2HB CYS A 29 -33.583 -24.490 38.698 1.00 22.24 H ATOM 436 SG CYS A 29 -35.545 -23.185 39.132 1.00 22.24 S ATOM 437 N GLY A 30 -30.764 -21.874 37.694 1.00 28.26 N ATOM 438 H GLY A 30 -31.077 -20.927 37.863 1.00 28.26 H ATOM 439 CA GLY A 30 -29.409 -22.074 37.206 1.00 28.26 C ATOM 440 1HA GLY A 30 -28.805 -21.210 37.476 1.00 28.26 H ATOM 441 2HA GLY A 30 -28.982 -22.965 37.668 1.00 28.26 H ATOM 442 C GLY A 30 -29.375 -22.234 35.703 1.00 28.26 C ATOM 443 O GLY A 30 -28.587 -21.587 35.021 1.00 28.26 O ATOM 444 N LEU A 31 -30.269 -23.062 35.189 1.00 -4.07 N ATOM 445 H LEU A 31 -30.881 -23.569 35.817 1.00 -4.07 H ATOM 446 CA LEU A 31 -30.407 -23.262 33.753 1.00 -4.07 C ATOM 447 HA LEU A 31 -29.439 -23.539 33.346 1.00 -4.07 H ATOM 448 C LEU A 31 -30.898 -21.963 33.108 1.00 -4.07 C ATOM 449 O LEU A 31 -31.791 -21.301 33.662 1.00 -4.07 O ATOM 450 CB LEU A 31 -31.422 -24.376 33.485 1.00 -4.07 C ATOM 451 1HB LEU A 31 -32.353 -24.083 33.964 1.00 -4.07 H ATOM 452 2HB LEU A 31 -31.599 -24.420 32.409 1.00 -4.07 H ATOM 453 CG LEU A 31 -31.078 -25.793 33.968 1.00 -4.07 C ATOM 454 HG LEU A 31 -30.835 -25.754 35.029 1.00 -4.07 H ATOM 455 CD1 LEU A 31 -32.295 -26.699 33.794 1.00 -4.07 C ATOM 456 1HD1 LEU A 31 -32.060 -27.702 34.151 1.00 -4.07 H ATOM 457 2HD1 LEU A 31 -32.581 -26.752 32.742 1.00 -4.07 H ATOM 458 3HD1 LEU A 31 -33.129 -26.309 34.377 1.00 -4.07 H ATOM 459 CD2 LEU A 31 -29.885 -26.385 33.218 1.00 -4.07 C ATOM 460 1HD2 LEU A 31 -29.699 -27.400 33.569 1.00 -4.07 H ATOM 461 2HD2 LEU A 31 -28.993 -25.789 33.408 1.00 -4.07 H ATOM 462 3HD2 LEU A 31 -30.085 -26.409 32.145 1.00 -4.07 H ATOM 463 N PRO A 32 -30.335 -21.575 31.948 1.00-20.72 N ATOM 464 CA PRO A 32 -30.849 -20.347 31.328 1.00-20.72 C ATOM 465 HA PRO A 32 -30.703 -19.499 31.997 1.00-20.72 H ATOM 466 C PRO A 32 -32.316 -20.462 30.929 1.00-20.72 C ATOM 467 O PRO A 32 -32.815 -21.554 30.673 1.00-20.72 O ATOM 468 CB PRO A 32 -29.983 -20.203 30.071 1.00-20.72 C ATOM 469 1HB PRO A 32 -30.491 -20.651 29.217 1.00-20.72 H ATOM 470 2HB PRO A 32 -29.753 -19.156 29.874 1.00-20.72 H ATOM 471 CG PRO A 32 -28.749 -20.965 30.381 1.00-20.72 C ATOM 472 1HG PRO A 32 -28.230 -21.261 29.470 1.00-20.72 H ATOM 473 2HG PRO A 32 -28.096 -20.374 31.025 1.00-20.72 H ATOM 474 CD PRO A 32 -29.262 -22.161 31.124 1.00-20.72 C ATOM 475 1HD PRO A 32 -29.672 -22.902 30.435 1.00-20.72 H ATOM 476 2HD PRO A 32 -28.471 -22.590 31.741 1.00-20.72 H ATOM 477 N GLY A 33 -33.010 -19.333 30.890 1.00 6.70 N ATOM 478 H GLY A 33 -32.568 -18.468 31.148 1.00 6.70 H ATOM 479 CA GLY A 33 -34.411 -19.303 30.490 1.00 6.70 C ATOM 480 1HA GLY A 33 -34.656 -18.299 30.146 1.00 6.70 H ATOM 481 2HA GLY A 33 -34.554 -19.994 29.657 1.00 6.70 H ATOM 482 C GLY A 33 -35.390 -19.685 31.584 1.00 6.70 C ATOM 483 O GLY A 33 -36.426 -19.036 31.738 1.00 6.70 O ATOM 484 N THR A 34 -35.045 -20.700 32.364 1.00 -0.77 N ATOM 485 H THR A 34 -34.165 -21.170 32.195 1.00 -0.77 H ATOM 486 CA THR A 34 -35.915 -21.179 33.434 1.00 -0.77 C ATOM 487 HA THR A 34 -36.884 -21.416 32.998 1.00 -0.77 H ATOM 488 C THR A 34 -36.118 -20.111 34.487 1.00 -0.77 C ATOM 489 O THR A 34 -35.309 -19.200 34.646 1.00 -0.77 O ATOM 490 CB THR A 34 -35.371 -22.436 34.146 1.00 -0.77 C ATOM 491 HB THR A 34 -36.116 -22.779 34.864 1.00 -0.77 H ATOM 492 OG1 THR A 34 -34.165 -22.128 34.858 1.00 -0.77 O ATOM 493 HG1 THR A 34 -33.487 -21.837 34.226 1.00 -0.77 H ATOM 494 CG2 THR A 34 -35.089 -23.556 33.160 1.00 -0.77 C ATOM 495 1HG2 THR A 34 -34.825 -24.457 33.711 1.00 -0.77 H ATOM 496 2HG2 THR A 34 -34.263 -23.287 32.501 1.00 -0.77 H ATOM 497 3HG2 THR A 34 -35.977 -23.754 32.559 1.00 -0.77 H ATOM 498 N LYS A 35 -37.221 -20.218 35.208 1.00-12.28 N ATOM 499 H LYS A 35 -37.853 -21.000 35.037 1.00-12.28 H ATOM 500 CA LYS A 35 -37.607 -19.239 36.211 1.00-12.28 C ATOM 501 HA LYS A 35 -36.834 -18.477 36.310 1.00-12.28 H ATOM 502 C LYS A 35 -37.781 -19.952 37.531 1.00-12.28 C ATOM 503 O LYS A 35 -38.507 -20.937 37.603 1.00-12.28 O ATOM 504 CB LYS A 35 -38.932 -18.596 35.791 1.00-12.28 C ATOM 505 1HB LYS A 35 -39.705 -19.365 35.808 1.00-12.28 H ATOM 506 2HB LYS A 35 -39.190 -17.834 36.526 1.00-12.28 H ATOM 507 CG LYS A 35 -38.949 -17.967 34.404 1.00-12.28 C ATOM 508 1HG LYS A 35 -38.729 -18.723 33.651 1.00-12.28 H ATOM 509 2HG LYS A 35 -39.947 -17.576 34.219 1.00-12.28 H ATOM 510 CD LYS A 35 -37.958 -16.831 34.276 1.00-12.28 C ATOM 511 1HD LYS A 35 -38.171 -16.104 35.052 1.00-12.28 H ATOM 512 2HD LYS A 35 -36.943 -17.205 34.403 1.00-12.28 H ATOM 513 CE LYS A 35 -38.057 -16.162 32.926 1.00-12.28 C ATOM 514 1HE LYS A 35 -37.840 -16.894 32.142 1.00-12.28 H ATOM 515 2HE LYS A 35 -39.071 -15.783 32.783 1.00-12.28 H ATOM 516 NZ LYS A 35 -37.081 -15.037 32.866 1.00-12.28 N ATOM 517 1HZ LYS A 35 -37.186 -14.538 31.995 1.00-12.28 H ATOM 518 2HZ LYS A 35 -36.143 -15.403 32.937 1.00-12.28 H ATOM 519 3HZ LYS A 35 -37.249 -14.404 33.645 1.00-12.28 H ATOM 520 N CYS A 36 -37.133 -19.455 38.567 1.00-21.82 N ATOM 521 H CYS A 36 -36.527 -18.648 38.443 1.00-21.82 H ATOM 522 CA CYS A 36 -37.344 -19.959 39.913 1.00-21.82 C ATOM 523 HA CYS A 36 -37.654 -21.003 39.879 1.00-21.82 H ATOM 524 C CYS A 36 -38.485 -19.102 40.452 1.00-21.82 C ATOM 525 O CYS A 36 -38.323 -17.891 40.640 1.00-21.82 O ATOM 526 CB CYS A 36 -36.073 -19.825 40.754 1.00-21.82 C ATOM 527 1HB CYS A 36 -35.273 -20.401 40.288 1.00-21.82 H ATOM 528 2HB CYS A 36 -35.775 -18.776 40.781 1.00-21.82 H ATOM 529 SG CYS A 36 -36.295 -20.406 42.462 1.00-21.82 S ATOM 530 N CYS A 37 -39.658 -19.702 40.592 1.00-12.60 N ATOM 531 H CYS A 37 -39.735 -20.705 40.432 1.00-12.60 H ATOM 532 CA CYS A 37 -40.887 -18.972 40.889 1.00-12.60 C ATOM 533 HA CYS A 37 -40.715 -17.906 40.758 1.00-12.60 H ATOM 534 C CYS A 37 -41.379 -19.224 42.308 1.00-12.60 C ATOM 535 O CYS A 37 -41.947 -20.278 42.598 1.00-12.60 O ATOM 536 CB CYS A 37 -41.960 -19.413 39.899 1.00-12.60 C ATOM 537 1HB CYS A 37 -42.165 -20.470 40.060 1.00-12.60 H ATOM 538 2HB CYS A 37 -42.871 -18.857 40.085 1.00-12.60 H ATOM 539 SG CYS A 37 -41.469 -19.171 38.168 1.00-12.60 S ATOM 540 N LYS A 38 -41.142 -18.273 43.199 1.00-11.83 N ATOM 541 H LYS A 38 -40.694 -17.409 42.891 1.00-11.83 H ATOM 542 CA LYS A 38 -41.527 -18.408 44.604 1.00-11.83 C ATOM 543 HA LYS A 38 -41.267 -19.400 44.943 1.00-11.83 H ATOM 544 C LYS A 38 -43.025 -18.266 44.749 1.00-11.83 C ATOM 545 O LYS A 38 -43.599 -17.290 44.274 1.00-11.83 O ATOM 546 CB LYS A 38 -40.761 -17.397 45.454 1.00-11.83 C ATOM 547 1HB LYS A 38 -39.708 -17.467 45.190 1.00-11.83 H ATOM 548 2HB LYS A 38 -41.112 -16.394 45.220 1.00-11.83 H ATOM 549 CG LYS A 38 -40.891 -17.634 46.942 1.00-11.83 C ATOM 550 1HG LYS A 38 -41.929 -17.515 47.225 1.00-11.83 H ATOM 551 2HG LYS A 38 -40.579 -18.652 47.178 1.00-11.83 H ATOM 552 CD LYS A 38 -40.026 -16.655 47.721 1.00-11.83 C ATOM 553 1HD LYS A 38 -38.978 -16.899 47.537 1.00-11.83 H ATOM 554 2HD LYS A 38 -40.220 -15.639 47.376 1.00-11.83 H ATOM 555 CE LYS A 38 -40.303 -16.736 49.216 1.00-11.83 C ATOM 556 1HE LYS A 38 -40.365 -17.788 49.509 1.00-11.83 H ATOM 557 2HE LYS A 38 -39.475 -16.274 49.756 1.00-11.83 H ATOM 558 NZ LYS A 38 -41.581 -16.018 49.566 1.00-11.83 N ATOM 559 1HZ LYS A 38 -41.840 -16.203 50.524 1.00-11.83 H ATOM 560 2HZ LYS A 38 -42.338 -16.327 48.955 1.00-11.83 H ATOM 561 3HZ LYS A 38 -41.473 -15.023 49.436 1.00-11.83 H ATOM 562 N LYS A 39 -43.663 -19.260 45.346 1.00 8.64 N ATOM 563 H LYS A 39 -43.134 -20.046 45.720 1.00 8.64 H ATOM 564 CA LYS A 39 -45.119 -19.239 45.482 1.00 8.64 C ATOM 565 HA LYS A 39 -45.521 -18.807 44.565 1.00 8.64 H ATOM 566 C LYS A 39 -45.601 -18.332 46.622 1.00 8.64 C ATOM 567 O LYS A 39 -46.452 -17.478 46.363 1.00 8.64 O ATOM 568 CB LYS A 39 -45.662 -20.667 45.591 1.00 8.64 C ATOM 569 1HB LYS A 39 -45.261 -21.250 44.762 1.00 8.64 H ATOM 570 2HB LYS A 39 -45.317 -21.119 46.519 1.00 8.64 H ATOM 571 CG LYS A 39 -47.177 -20.738 45.545 1.00 8.64 C ATOM 572 1HG LYS A 39 -47.585 -20.163 46.376 1.00 8.64 H ATOM 573 2HG LYS A 39 -47.525 -20.306 44.608 1.00 8.64 H ATOM 574 CD LYS A 39 -47.655 -22.179 45.643 1.00 8.64 C ATOM 575 1HD LYS A 39 -47.189 -22.762 44.848 1.00 8.64 H ATOM 576 2HD LYS A 39 -47.351 -22.594 46.605 1.00 8.64 H ATOM 577 CE LYS A 39 -49.172 -22.275 45.503 1.00 8.64 C ATOM 578 1HE LYS A 39 -49.461 -21.860 44.534 1.00 8.64 H ATOM 579 2HE LYS A 39 -49.459 -23.329 45.523 1.00 8.64 H ATOM 580 NZ LYS A 39 -49.896 -21.541 46.601 1.00 8.64 N ATOM 581 1HZ LYS A 39 -50.894 -21.630 46.475 1.00 8.64 H ATOM 582 2HZ LYS A 39 -49.644 -20.561 46.581 1.00 8.64 H ATOM 583 3HZ LYS A 39 -49.640 -21.927 47.500 1.00 8.64 H ATOM 584 N PRO A 40 -45.100 -18.494 47.870 1.00 -2.32 N ATOM 585 CA PRO A 40 -45.548 -17.478 48.834 1.00 -2.32 C ATOM 586 HA PRO A 40 -46.626 -17.332 48.784 1.00 -2.32 H ATOM 587 C PRO A 40 -44.839 -16.148 48.602 1.00 -2.32 C ATOM 588 O PRO A 40 -43.836 -16.139 47.857 1.00 -2.32 O ATOM 589 OXT PRO A 40 -45.282 -15.121 49.132 1.00 -2.32 O ATOM 590 CB PRO A 40 -45.172 -18.100 50.180 1.00 -2.32 C ATOM 591 1HB PRO A 40 -44.984 -17.328 50.927 1.00 -2.32 H ATOM 592 2HB PRO A 40 -45.965 -18.770 50.512 1.00 -2.32 H ATOM 593 CG PRO A 40 -43.952 -18.865 49.887 1.00 -2.32 C ATOM 594 1HG PRO A 40 -43.095 -18.199 49.862 1.00 -2.32 H ATOM 595 2HG PRO A 40 -43.799 -19.651 50.627 1.00 -2.32 H ATOM 596 CD PRO A 40 -44.181 -19.450 48.524 1.00 -2.32 C ATOM 597 1HD PRO A 40 -43.237 -19.513 47.986 1.00 -2.32 H ATOM 598 2HD PRO A 40 -44.650 -20.431 48.605 1.00 -2.32 H TER 599 PRO A 40 CONECT 89 86 529 CONECT 187 184 436 CONECT 264 261 539 CONECT 436 187 433 CONECT 529 89 526 CONECT 539 264 536 END
SEQUENCE	GIGPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKP
HELICITY	5.00	INSTAB. INDEX	43.11	FLEXIBILITY	12.93
a HYD. MOM.	39.60	b HYD. MOM.	15.80	c HYD. MOM	5.12
a MEAN HYD. MOM.	0.99	b MEAN HYD. MOM.	0.40	c MEAN HYD. MOM.	0.13
CHARGE pH5	7.91	CHARGE pH7	6.82	CHARGE pH9	1.64
Δ CHARGE pH5-pH9	6.27	ISOELECTRIC POINT	9.50	BOMAN INDEX	0.71
ΔG	21	CPP	-0,05	MLP	-14,30
MOLECULAR VOLUME		POLARITY
MIC E. coli	4	MIC P. aeruginosa	24	MIC S. typhimurium
MIC S. aureus		MIC M. luteus	32	MIC B. subtilis
MIC C. albicans	24	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Mammalia	ORDER	Primates
FAMILY	Hominidae	GENUS	Homo	SPECIES	Homo sapiens
DATE	1990
TITLE PAPER	Effects of Positively Selected Sequence Variations in Human and Macaca fascicularis beta -Defensins 2 on Antimicrobial Activity