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ID	2517	NAME	Lingual antimicrobial peptide_1   Blast NCBI-PROT
LENGTH	45	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\GFTQGVRNSQSCRRNKGICVPIRCPGSMRQIGTCLGAQVKCCRRK.pdb REMARK YASARA Written on: Wed May 14 21:28:35 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 695 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 45 GLY PHE THR GLN GLY VAL ARG ASN SER GLN SER CYS ARG SEQRES 2 A 45 ARG ASN LYS GLY ILE CYS VAL PRO ILE ARG CYS PRO GLY SEQRES 3 A 45 SER MET ARG GLN ILE GLY THR CYS LEU GLY ALA GLN VAL SEQRES 4 A 45 LYS CYS CYS ARG ARG 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 12 CYS A 41 2.03 SSBOND 3 CYS A 19 CYS A 34 2.03 SSBOND 5 CYS A 24 CYS A 42 2.03 ATOM 1 N GLY A 1 -24.970 -14.986 44.147 1.00-19.51 N ATOM 2 1H GLY A 1 -24.095 -15.463 44.312 1.00-19.51 H ATOM 3 2H GLY A 1 -24.794 -14.110 43.675 1.00-19.51 H ATOM 4 3H GLY A 1 -25.565 -15.559 43.566 1.00-19.51 H ATOM 5 CA GLY A 1 -25.648 -14.723 45.435 1.00-19.51 C ATOM 6 1HA GLY A 1 -25.839 -15.669 45.940 1.00-19.51 H ATOM 7 2HA GLY A 1 -25.014 -14.094 46.059 1.00-19.51 H ATOM 8 C GLY A 1 -26.954 -14.024 45.193 1.00-19.51 C ATOM 9 O GLY A 1 -27.264 -13.833 44.028 1.00-19.51 O ATOM 10 N PHE A 2 -27.699 -13.641 46.220 1.00-16.04 N ATOM 11 H PHE A 2 -27.394 -13.774 47.177 1.00-16.04 H ATOM 12 CA PHE A 2 -28.987 -12.975 46.047 1.00-16.04 C ATOM 13 HA PHE A 2 -29.066 -12.519 45.060 1.00-16.04 H ATOM 14 C PHE A 2 -29.053 -11.920 47.140 1.00-16.04 C ATOM 15 O PHE A 2 -28.265 -11.989 48.082 1.00-16.04 O ATOM 16 CB PHE A 2 -30.141 -13.955 46.277 1.00-16.04 C ATOM 17 1HB PHE A 2 -30.122 -14.270 47.320 1.00-16.04 H ATOM 18 2HB PHE A 2 -31.080 -13.434 46.093 1.00-16.04 H ATOM 19 CG PHE A 2 -30.097 -15.185 45.414 1.00-16.04 C ATOM 20 CD1 PHE A 2 -29.772 -16.433 45.979 1.00-16.04 C ATOM 21 HD1 PHE A 2 -29.532 -16.503 47.031 1.00-16.04 H ATOM 22 CD2 PHE A 2 -30.414 -15.114 44.046 1.00-16.04 C ATOM 23 HD2 PHE A 2 -30.665 -14.164 43.597 1.00-16.04 H ATOM 24 CE1 PHE A 2 -29.773 -17.610 45.190 1.00-16.04 C ATOM 25 HE1 PHE A 2 -29.538 -18.565 45.636 1.00-16.04 H ATOM 26 CE2 PHE A 2 -30.414 -16.282 43.242 1.00-16.04 C ATOM 27 HE2 PHE A 2 -30.660 -16.216 42.191 1.00-16.04 H ATOM 28 CZ PHE A 2 -30.096 -17.533 43.817 1.00-16.04 C ATOM 29 HZ PHE A 2 -30.109 -18.428 43.211 1.00-16.04 H ATOM 30 N THR A 3 -30.026 -11.024 47.076 1.00 -5.43 N ATOM 31 H THR A 3 -30.603 -10.945 46.254 1.00 -5.43 H ATOM 32 CA THR A 3 -30.416 -10.238 48.245 1.00 -5.43 C ATOM 33 HA THR A 3 -29.540 -9.825 48.746 1.00 -5.43 H ATOM 34 C THR A 3 -31.140 -11.205 49.180 1.00 -5.43 C ATOM 35 O THR A 3 -31.596 -12.256 48.730 1.00 -5.43 O ATOM 36 CB THR A 3 -31.385 -9.115 47.836 1.00 -5.43 C ATOM 37 HB THR A 3 -31.805 -8.646 48.726 1.00 -5.43 H ATOM 38 OG1 THR A 3 -32.425 -9.673 47.028 1.00 -5.43 O ATOM 39 HG1 THR A 3 -32.964 -8.945 46.703 1.00 -5.43 H ATOM 40 CG2 THR A 3 -30.689 -8.062 46.989 1.00 -5.43 C ATOM 41 1HG2 THR A 3 -31.384 -7.248 46.779 1.00 -5.43 H ATOM 42 2HG2 THR A 3 -30.350 -8.491 46.046 1.00 -5.43 H ATOM 43 3HG2 THR A 3 -29.832 -7.656 47.529 1.00 -5.43 H ATOM 44 N GLN A 4 -31.261 -10.884 50.459 1.00 -7.85 N ATOM 45 H GLN A 4 -30.910 -10.006 50.802 1.00 -7.85 H ATOM 46 CA GLN A 4 -31.927 -11.790 51.395 1.00 -7.85 C ATOM 47 HA GLN A 4 -31.565 -12.803 51.215 1.00 -7.85 H ATOM 48 C GLN A 4 -33.444 -11.814 51.220 1.00 -7.85 C ATOM 49 O GLN A 4 -34.052 -10.847 50.760 1.00 -7.85 O ATOM 50 CB GLN A 4 -31.596 -11.408 52.843 1.00 -7.85 C ATOM 51 1HB GLN A 4 -31.888 -10.370 53.004 1.00 -7.85 H ATOM 52 2HB GLN A 4 -32.190 -12.031 53.511 1.00 -7.85 H ATOM 53 CG GLN A 4 -30.121 -11.575 53.229 1.00 -7.85 C ATOM 54 1HG GLN A 4 -29.500 -10.980 52.561 1.00 -7.85 H ATOM 55 2HG GLN A 4 -29.986 -11.200 54.243 1.00 -7.85 H ATOM 56 CD GLN A 4 -29.644 -13.020 53.189 1.00 -7.85 C ATOM 57 OE1 GLN A 4 -30.427 -13.958 53.163 1.00 -7.85 O ATOM 58 NE2 GLN A 4 -28.351 -13.207 53.171 1.00 -7.85 N ATOM 59 1HE2 GLN A 4 -28.011 -14.153 53.152 1.00 -7.85 H ATOM 60 2HE2 GLN A 4 -27.723 -12.424 53.186 1.00 -7.85 H ATOM 61 N GLY A 5 -34.039 -12.939 51.586 1.00 15.04 N ATOM 62 H GLY A 5 -33.482 -13.719 51.924 1.00 15.04 H ATOM 63 CA GLY A 5 -35.470 -13.171 51.478 1.00 15.04 C ATOM 64 1HA GLY A 5 -35.984 -12.865 52.390 1.00 15.04 H ATOM 65 2HA GLY A 5 -35.884 -12.665 50.607 1.00 15.04 H ATOM 66 C GLY A 5 -35.536 -14.672 51.306 1.00 15.04 C ATOM 67 O GLY A 5 -34.479 -15.298 51.401 1.00 15.04 O ATOM 68 N VAL A 6 -36.683 -15.283 51.046 1.00 4.54 N ATOM 69 H VAL A 6 -37.556 -14.767 50.979 1.00 4.54 H ATOM 70 CA VAL A 6 -36.680 -16.726 50.798 1.00 4.54 C ATOM 71 HA VAL A 6 -36.061 -17.214 51.550 1.00 4.54 H ATOM 72 C VAL A 6 -36.056 -16.930 49.421 1.00 4.54 C ATOM 73 O VAL A 6 -36.470 -16.289 48.457 1.00 4.54 O ATOM 74 CB VAL A 6 -38.101 -17.338 50.835 1.00 4.54 C ATOM 75 HB VAL A 6 -38.724 -16.839 50.098 1.00 4.54 H ATOM 76 CG1 VAL A 6 -38.059 -18.821 50.500 1.00 4.54 C ATOM 77 1HG1 VAL A 6 -39.071 -19.209 50.515 1.00 4.54 H ATOM 78 2HG1 VAL A 6 -37.457 -19.363 51.226 1.00 4.54 H ATOM 79 3HG1 VAL A 6 -37.666 -18.979 49.497 1.00 4.54 H ATOM 80 CG2 VAL A 6 -38.735 -17.142 52.216 1.00 4.54 C ATOM 81 1HG2 VAL A 6 -39.707 -17.635 52.244 1.00 4.54 H ATOM 82 2HG2 VAL A 6 -38.883 -16.080 52.411 1.00 4.54 H ATOM 83 3HG2 VAL A 6 -38.098 -17.569 52.993 1.00 4.54 H ATOM 84 N ARG A 7 -35.037 -17.774 49.314 1.00 17.63 N ATOM 85 H ARG A 7 -34.652 -18.187 50.149 1.00 17.63 H ATOM 86 CA ARG A 7 -34.409 -18.053 48.014 1.00 17.63 C ATOM 87 HA ARG A 7 -34.998 -17.578 47.231 1.00 17.63 H ATOM 88 C ARG A 7 -34.357 -19.523 47.636 1.00 17.63 C ATOM 89 O ARG A 7 -33.776 -19.864 46.621 1.00 17.63 O ATOM 90 CB ARG A 7 -32.996 -17.449 47.969 1.00 17.63 C ATOM 91 1HB ARG A 7 -32.389 -17.932 48.735 1.00 17.63 H ATOM 92 2HB ARG A 7 -32.550 -17.660 46.997 1.00 17.63 H ATOM 93 CG ARG A 7 -32.943 -15.936 48.194 1.00 17.63 C ATOM 94 1HG ARG A 7 -33.434 -15.694 49.131 1.00 17.63 H ATOM 95 2HG ARG A 7 -31.902 -15.626 48.271 1.00 17.63 H ATOM 96 CD ARG A 7 -33.610 -15.146 47.070 1.00 17.63 C ATOM 97 1HD ARG A 7 -33.040 -15.289 46.151 1.00 17.63 H ATOM 98 2HD ARG A 7 -34.622 -15.510 46.907 1.00 17.63 H ATOM 99 NE ARG A 7 -33.652 -13.717 47.407 1.00 17.63 N ATOM 100 HE ARG A 7 -32.761 -13.236 47.454 1.00 17.63 H ATOM 101 CZ ARG A 7 -34.718 -12.999 47.725 1.00 17.63 C ATOM 102 NH1 ARG A 7 -34.568 -11.719 47.895 1.00 17.63 N ATOM 103 1HH1 ARG A 7 -33.654 -11.303 47.772 1.00 17.63 H ATOM 104 2HH1 ARG A 7 -35.333 -11.148 48.200 1.00 17.63 H ATOM 105 NH2 ARG A 7 -35.917 -13.492 47.896 1.00 17.63 N ATOM 106 1HH2 ARG A 7 -36.048 -14.499 47.853 1.00 17.63 H ATOM 107 2HH2 ARG A 7 -36.687 -12.886 48.102 1.00 17.63 H ATOM 108 N ASN A 8 -34.939 -20.401 48.442 1.00 25.10 N ATOM 109 H ASN A 8 -35.439 -20.088 49.257 1.00 25.10 H ATOM 110 CA ASN A 8 -34.958 -21.827 48.119 1.00 25.10 C ATOM 111 HA ASN A 8 -34.991 -21.916 47.038 1.00 25.10 H ATOM 112 C ASN A 8 -36.210 -22.495 48.669 1.00 25.10 C ATOM 113 O ASN A 8 -36.842 -21.997 49.601 1.00 25.10 O ATOM 114 CB ASN A 8 -33.689 -22.544 48.611 1.00 25.10 C ATOM 115 1HB ASN A 8 -33.650 -23.538 48.166 1.00 25.10 H ATOM 116 2HB ASN A 8 -32.813 -21.989 48.278 1.00 25.10 H ATOM 117 CG ASN A 8 -33.643 -22.705 50.104 1.00 25.10 C ATOM 118 OD1 ASN A 8 -34.358 -23.520 50.668 1.00 25.10 O ATOM 119 ND2 ASN A 8 -32.802 -21.955 50.756 1.00 25.10 N ATOM 120 1HD2 ASN A 8 -32.759 -22.041 51.757 1.00 25.10 H ATOM 121 2HD2 ASN A 8 -32.198 -21.319 50.262 1.00 25.10 H ATOM 122 N SER A 9 -36.566 -23.626 48.082 1.00 5.88 N ATOM 123 H SER A 9 -35.992 -24.015 47.340 1.00 5.88 H ATOM 124 CA SER A 9 -37.801 -24.338 48.391 1.00 5.88 C ATOM 125 HA SER A 9 -38.640 -23.658 48.240 1.00 5.88 H ATOM 126 C SER A 9 -37.914 -24.911 49.802 1.00 5.88 C ATOM 127 O SER A 9 -39.019 -25.048 50.327 1.00 5.88 O ATOM 128 CB SER A 9 -37.912 -25.476 47.383 1.00 5.88 C ATOM 129 1HB SER A 9 -38.012 -26.424 47.914 1.00 5.88 H ATOM 130 2HB SER A 9 -38.784 -25.322 46.746 1.00 5.88 H ATOM 131 OG SER A 9 -36.732 -25.494 46.591 1.00 5.88 O ATOM 132 HG SER A 9 -36.882 -24.980 45.780 1.00 5.88 H ATOM 133 N GLN A 10 -36.797 -25.228 50.446 1.00 -7.34 N ATOM 134 H GLN A 10 -35.894 -25.071 50.015 1.00 -7.34 H ATOM 135 CA GLN A 10 -36.865 -25.745 51.813 1.00 -7.34 C ATOM 136 HA GLN A 10 -37.617 -26.531 51.874 1.00 -7.34 H ATOM 137 C GLN A 10 -37.259 -24.592 52.725 1.00 -7.34 C ATOM 138 O GLN A 10 -38.141 -24.716 53.570 1.00 -7.34 O ATOM 139 CB GLN A 10 -35.518 -26.255 52.325 1.00 -7.34 C ATOM 140 1HB GLN A 10 -34.817 -25.424 52.308 1.00 -7.34 H ATOM 141 2HB GLN A 10 -35.659 -26.550 53.365 1.00 -7.34 H ATOM 142 CG GLN A 10 -34.858 -27.411 51.596 1.00 -7.34 C ATOM 143 1HG GLN A 10 -35.516 -28.280 51.620 1.00 -7.34 H ATOM 144 2HG GLN A 10 -34.673 -27.131 50.559 1.00 -7.34 H ATOM 145 CD GLN A 10 -33.533 -27.762 52.255 1.00 -7.34 C ATOM 146 OE1 GLN A 10 -33.165 -27.184 53.275 1.00 -7.34 O ATOM 147 NE2 GLN A 10 -32.808 -28.686 51.687 1.00 -7.34 N ATOM 148 1HE2 GLN A 10 -31.925 -28.927 52.107 1.00 -7.34 H ATOM 149 2HE2 GLN A 10 -33.119 -29.141 50.846 1.00 -7.34 H ATOM 150 N SER A 11 -36.605 -23.455 52.534 1.00-15.42 N ATOM 151 H SER A 11 -35.885 -23.399 51.815 1.00-15.42 H ATOM 152 CA SER A 11 -36.864 -22.276 53.351 1.00-15.42 C ATOM 153 HA SER A 11 -36.847 -22.566 54.397 1.00-15.42 H ATOM 154 C SER A 11 -38.237 -21.711 53.054 1.00-15.42 C ATOM 155 O SER A 11 -38.845 -21.104 53.914 1.00-15.42 O ATOM 156 CB SER A 11 -35.796 -21.209 53.136 1.00-15.42 C ATOM 157 1HB SER A 11 -35.775 -20.918 52.086 1.00-15.42 H ATOM 158 2HB SER A 11 -36.034 -20.339 53.749 1.00-15.42 H ATOM 159 OG SER A 11 -34.527 -21.723 53.517 1.00-15.42 O ATOM 160 HG SER A 11 -33.957 -20.978 53.741 1.00-15.42 H ATOM 161 N CYS A 12 -38.776 -21.989 51.877 1.00 -5.44 N ATOM 162 H CYS A 12 -38.234 -22.467 51.170 1.00 -5.44 H ATOM 163 CA CYS A 12 -40.148 -21.598 51.596 1.00 -5.44 C ATOM 164 HA CYS A 12 -40.238 -20.525 51.759 1.00 -5.44 H ATOM 165 C CYS A 12 -41.095 -22.285 52.571 1.00 -5.44 C ATOM 166 O CYS A 12 -41.899 -21.631 53.221 1.00 -5.44 O ATOM 167 CB CYS A 12 -40.512 -21.917 50.145 1.00 -5.44 C ATOM 168 1HB CYS A 12 -39.739 -21.513 49.492 1.00 -5.44 H ATOM 169 2HB CYS A 12 -40.554 -22.997 50.013 1.00 -5.44 H ATOM 170 SG CYS A 12 -42.110 -21.207 49.646 1.00 -5.44 S ATOM 171 N ARG A 13 -40.941 -23.586 52.767 1.00 -0.27 N ATOM 172 H ARG A 13 -40.234 -24.091 52.248 1.00 -0.27 H ATOM 173 CA ARG A 13 -41.795 -24.301 53.719 1.00 -0.27 C ATOM 174 HA ARG A 13 -42.827 -23.981 53.553 1.00 -0.27 H ATOM 175 C ARG A 13 -41.468 -23.976 55.176 1.00 -0.27 C ATOM 176 O ARG A 13 -42.359 -23.985 56.032 1.00 -0.27 O ATOM 177 CB ARG A 13 -41.725 -25.805 53.454 1.00 -0.27 C ATOM 178 1HB ARG A 13 -40.692 -26.140 53.538 1.00 -0.27 H ATOM 179 2HB ARG A 13 -42.325 -26.314 54.209 1.00 -0.27 H ATOM 180 CG ARG A 13 -42.277 -26.163 52.073 1.00 -0.27 C ATOM 181 1HG ARG A 13 -43.273 -25.729 51.978 1.00 -0.27 H ATOM 182 2HG ARG A 13 -41.639 -25.737 51.299 1.00 -0.27 H ATOM 183 CD ARG A 13 -42.391 -27.669 51.856 1.00 -0.27 C ATOM 184 1HD ARG A 13 -42.990 -28.088 52.666 1.00 -0.27 H ATOM 185 2HD ARG A 13 -42.920 -27.850 50.920 1.00 -0.27 H ATOM 186 NE ARG A 13 -41.090 -28.358 51.818 1.00 -0.27 N ATOM 187 HE ARG A 13 -40.779 -28.763 52.685 1.00 -0.27 H ATOM 188 CZ ARG A 13 -40.321 -28.537 50.750 1.00 -0.27 C ATOM 189 NH1 ARG A 13 -39.245 -29.263 50.872 1.00 -0.27 N ATOM 190 1HH1 ARG A 13 -39.016 -29.682 51.758 1.00 -0.27 H ATOM 191 2HH1 ARG A 13 -38.655 -29.426 50.075 1.00 -0.27 H ATOM 192 NH2 ARG A 13 -40.585 -28.042 49.567 1.00 -0.27 N ATOM 193 1HH2 ARG A 13 -41.394 -27.456 49.447 1.00 -0.27 H ATOM 194 2HH2 ARG A 13 -39.993 -28.250 48.784 1.00 -0.27 H ATOM 195 N ARG A 14 -40.225 -23.610 55.470 1.00-16.23 N ATOM 196 H ARG A 14 -39.511 -23.650 54.751 1.00-16.23 H ATOM 197 CA ARG A 14 -39.886 -23.120 56.816 1.00-16.23 C ATOM 198 HA ARG A 14 -40.191 -23.860 57.553 1.00-16.23 H ATOM 199 C ARG A 14 -40.663 -21.838 57.095 1.00-16.23 C ATOM 200 O ARG A 14 -41.229 -21.675 58.172 1.00-16.23 O ATOM 201 CB ARG A 14 -38.385 -22.832 56.978 1.00-16.23 C ATOM 202 1HB ARG A 14 -38.075 -22.140 56.199 1.00-16.23 H ATOM 203 2HB ARG A 14 -38.240 -22.336 57.939 1.00-16.23 H ATOM 204 CG ARG A 14 -37.480 -24.061 56.940 1.00-16.23 C ATOM 205 1HG ARG A 14 -37.767 -24.738 57.744 1.00-16.23 H ATOM 206 2HG ARG A 14 -37.602 -24.574 55.992 1.00-16.23 H ATOM 207 CD ARG A 14 -36.007 -23.679 57.111 1.00-16.23 C ATOM 208 1HD ARG A 14 -35.729 -22.960 56.341 1.00-16.23 H ATOM 209 2HD ARG A 14 -35.880 -23.205 58.086 1.00-16.23 H ATOM 210 NE ARG A 14 -35.134 -24.864 57.038 1.00-16.23 N ATOM 211 HE ARG A 14 -35.120 -25.452 57.855 1.00-16.23 H ATOM 212 CZ ARG A 14 -34.383 -25.243 56.010 1.00-16.23 C ATOM 213 NH1 ARG A 14 -33.800 -26.406 56.056 1.00-16.23 N ATOM 214 1HH1 ARG A 14 -33.866 -26.985 56.873 1.00-16.23 H ATOM 215 2HH1 ARG A 14 -33.282 -26.735 55.243 1.00-16.23 H ATOM 216 NH2 ARG A 14 -34.170 -24.523 54.939 1.00-16.23 N ATOM 217 1HH2 ARG A 14 -34.563 -23.600 54.855 1.00-16.23 H ATOM 218 2HH2 ARG A 14 -33.595 -24.902 54.201 1.00-16.23 H ATOM 219 N ASN A 15 -40.754 -20.975 56.096 1.00 5.68 N ATOM 220 H ASN A 15 -40.269 -21.176 55.225 1.00 5.68 H ATOM 221 CA ASN A 15 -41.435 -19.685 56.204 1.00 5.68 C ATOM 222 HA ASN A 15 -41.395 -19.353 57.242 1.00 5.68 H ATOM 223 C ASN A 15 -42.914 -19.775 55.811 1.00 5.68 C ATOM 224 O ASN A 15 -43.575 -18.752 55.638 1.00 5.68 O ATOM 225 CB ASN A 15 -40.709 -18.645 55.337 1.00 5.68 C ATOM 226 1HB ASN A 15 -40.601 -19.030 54.324 1.00 5.68 H ATOM 227 2HB ASN A 15 -41.310 -17.740 55.301 1.00 5.68 H ATOM 228 CG ASN A 15 -39.342 -18.266 55.880 1.00 5.68 C ATOM 229 OD1 ASN A 15 -38.518 -19.095 56.231 1.00 5.68 O ATOM 230 ND2 ASN A 15 -39.098 -16.987 55.965 1.00 5.68 N ATOM 231 1HD2 ASN A 15 -38.206 -16.700 56.333 1.00 5.68 H ATOM 232 2HD2 ASN A 15 -39.786 -16.318 55.676 1.00 5.68 H ATOM 233 N LYS A 16 -43.423 -21.001 55.709 1.00 8.20 N ATOM 234 H LYS A 16 -42.786 -21.779 55.807 1.00 8.20 H ATOM 235 CA LYS A 16 -44.845 -21.318 55.481 1.00 8.20 C ATOM 236 HA LYS A 16 -44.914 -22.399 55.376 1.00 8.20 H ATOM 237 C LYS A 16 -45.422 -20.771 54.180 1.00 8.20 C ATOM 238 O LYS A 16 -46.614 -20.469 54.063 1.00 8.20 O ATOM 239 CB LYS A 16 -45.693 -20.925 56.704 1.00 8.20 C ATOM 240 1HB LYS A 16 -45.684 -19.840 56.799 1.00 8.20 H ATOM 241 2HB LYS A 16 -46.723 -21.244 56.542 1.00 8.20 H ATOM 242 CG LYS A 16 -45.198 -21.534 58.025 1.00 8.20 C ATOM 243 1HG LYS A 16 -44.154 -21.262 58.173 1.00 8.20 H ATOM 244 2HG LYS A 16 -45.774 -21.111 58.847 1.00 8.20 H ATOM 245 CD LYS A 16 -45.344 -23.063 58.065 1.00 8.20 C ATOM 246 1HD LYS A 16 -46.406 -23.311 58.093 1.00 8.20 H ATOM 247 2HD LYS A 16 -44.908 -23.510 57.174 1.00 8.20 H ATOM 248 CE LYS A 16 -44.649 -23.669 59.275 1.00 8.20 C ATOM 249 1HE LYS A 16 -44.937 -23.122 60.175 1.00 8.20 H ATOM 250 2HE LYS A 16 -44.963 -24.710 59.375 1.00 8.20 H ATOM 251 NZ LYS A 16 -43.158 -23.621 59.089 1.00 8.20 N ATOM 252 1HZ LYS A 16 -42.693 -24.074 59.862 1.00 8.20 H ATOM 253 2HZ LYS A 16 -42.836 -22.659 59.031 1.00 8.20 H ATOM 254 3HZ LYS A 16 -42.905 -24.083 58.222 1.00 8.20 H ATOM 255 N GLY A 17 -44.564 -20.722 53.178 1.00 -1.55 N ATOM 256 H GLY A 17 -43.591 -20.965 53.335 1.00 -1.55 H ATOM 257 CA GLY A 17 -44.987 -20.463 51.819 1.00 -1.55 C ATOM 258 1HA GLY A 17 -45.953 -19.978 51.823 1.00 -1.55 H ATOM 259 2HA GLY A 17 -44.265 -19.814 51.328 1.00 -1.55 H ATOM 260 C GLY A 17 -45.115 -21.750 51.034 1.00 -1.55 C ATOM 261 O GLY A 17 -44.604 -22.803 51.425 1.00 -1.55 O ATOM 262 N ILE A 18 -45.803 -21.639 49.910 1.00-19.55 N ATOM 263 H ILE A 18 -46.197 -20.735 49.661 1.00-19.55 H ATOM 264 CA ILE A 18 -46.033 -22.739 48.981 1.00-19.55 C ATOM 265 HA ILE A 18 -45.562 -23.653 49.338 1.00-19.55 H ATOM 266 C ILE A 18 -45.350 -22.264 47.704 1.00-19.55 C ATOM 267 O ILE A 18 -45.475 -21.094 47.339 1.00-19.55 O ATOM 268 CB ILE A 18 -47.561 -22.978 48.766 1.00-19.55 C ATOM 269 HB ILE A 18 -48.002 -22.050 48.406 1.00-19.55 H ATOM 270 CG1 ILE A 18 -48.224 -23.346 50.113 1.00-19.55 C ATOM 271 1HG1 ILE A 18 -47.819 -24.303 50.444 1.00-19.55 H ATOM 272 2HG1 ILE A 18 -47.956 -22.599 50.858 1.00-19.55 H ATOM 273 CG2 ILE A 18 -47.811 -24.082 47.703 1.00-19.55 C ATOM 274 1HG2 ILE A 18 -48.880 -24.195 47.518 1.00-19.55 H ATOM 275 2HG2 ILE A 18 -47.408 -25.037 48.043 1.00-19.55 H ATOM 276 3HG2 ILE A 18 -47.343 -23.811 46.756 1.00-19.55 H ATOM 277 CD1 ILE A 18 -49.760 -23.450 50.112 1.00-19.55 C ATOM 278 1HD1 ILE A 18 -50.107 -23.626 51.130 1.00-19.55 H ATOM 279 2HD1 ILE A 18 -50.082 -24.282 49.485 1.00-19.55 H ATOM 280 3HD1 ILE A 18 -50.197 -22.525 49.742 1.00-19.55 H ATOM 281 N CYS A 19 -44.601 -23.138 47.049 1.00-16.21 N ATOM 282 H CYS A 19 -44.518 -24.079 47.389 1.00-16.21 H ATOM 283 CA CYS A 19 -43.935 -22.778 45.803 1.00-16.21 C ATOM 284 HA CYS A 19 -43.530 -21.777 45.898 1.00-16.21 H ATOM 285 C CYS A 19 -44.929 -22.807 44.643 1.00-16.21 C ATOM 286 O CYS A 19 -45.594 -23.821 44.439 1.00-16.21 O ATOM 287 CB CYS A 19 -42.792 -23.753 45.526 1.00-16.21 C ATOM 288 1HB CYS A 19 -43.196 -24.765 45.487 1.00-16.21 H ATOM 289 2HB CYS A 19 -42.360 -23.518 44.557 1.00-16.21 H ATOM 290 SG CYS A 19 -41.484 -23.667 46.789 1.00-16.21 S ATOM 291 N VAL A 20 -45.034 -21.717 43.894 1.00 3.37 N ATOM 292 H VAL A 20 -44.447 -20.910 44.107 1.00 3.37 H ATOM 293 CA VAL A 20 -45.979 -21.607 42.774 1.00 3.37 C ATOM 294 HA VAL A 20 -46.362 -22.597 42.540 1.00 3.37 H ATOM 295 C VAL A 20 -45.193 -21.056 41.576 1.00 3.37 C ATOM 296 O VAL A 20 -44.427 -20.109 41.736 1.00 3.37 O ATOM 297 CB VAL A 20 -47.186 -20.689 43.147 1.00 3.37 C ATOM 298 HB VAL A 20 -46.820 -19.677 43.316 1.00 3.37 H ATOM 299 CG1 VAL A 20 -48.230 -20.661 42.023 1.00 3.37 C ATOM 300 1HG1 VAL A 20 -49.055 -20.009 42.301 1.00 3.37 H ATOM 301 2HG1 VAL A 20 -48.615 -21.664 41.835 1.00 3.37 H ATOM 302 3HG1 VAL A 20 -47.787 -20.261 41.112 1.00 3.37 H ATOM 303 CG2 VAL A 20 -47.864 -21.183 44.445 1.00 3.37 C ATOM 304 1HG2 VAL A 20 -48.769 -20.616 44.642 1.00 3.37 H ATOM 305 2HG2 VAL A 20 -47.188 -21.047 45.289 1.00 3.37 H ATOM 306 3HG2 VAL A 20 -48.116 -22.242 44.360 1.00 3.37 H ATOM 307 N PRO A 21 -45.291 -21.678 40.385 1.00 23.48 N ATOM 308 CA PRO A 21 -44.196 -21.397 39.443 1.00 23.48 C ATOM 309 HA PRO A 21 -43.255 -21.541 39.960 1.00 23.48 H ATOM 310 C PRO A 21 -44.089 -20.056 38.711 1.00 23.48 C ATOM 311 O PRO A 21 -43.003 -19.734 38.253 1.00 23.48 O ATOM 312 CB PRO A 21 -44.344 -22.527 38.421 1.00 23.48 C ATOM 313 1HB PRO A 21 -43.992 -22.214 37.437 1.00 23.48 H ATOM 314 2HB PRO A 21 -43.799 -23.410 38.755 1.00 23.48 H ATOM 315 CG PRO A 21 -45.793 -22.816 38.412 1.00 23.48 C ATOM 316 1HG PRO A 21 -46.330 -22.056 37.845 1.00 23.48 H ATOM 317 2HG PRO A 21 -45.989 -23.808 38.003 1.00 23.48 H ATOM 318 CD PRO A 21 -46.160 -22.754 39.869 1.00 23.48 C ATOM 319 1HD PRO A 21 -47.214 -22.504 39.988 1.00 23.48 H ATOM 320 2HD PRO A 21 -45.926 -23.698 40.364 1.00 23.48 H ATOM 321 N ILE A 22 -45.168 -19.295 38.555 1.00 15.75 N ATOM 322 H ILE A 22 -46.033 -19.578 38.979 1.00 15.75 H ATOM 323 CA ILE A 22 -45.131 -18.098 37.691 1.00 15.75 C ATOM 324 HA ILE A 22 -44.126 -17.985 37.286 1.00 15.75 H ATOM 325 C ILE A 22 -45.463 -16.810 38.448 1.00 15.75 C ATOM 326 O ILE A 22 -44.766 -15.796 38.344 1.00 15.75 O ATOM 327 CB ILE A 22 -46.109 -18.258 36.471 1.00 15.75 C ATOM 328 HB ILE A 22 -47.130 -18.303 36.851 1.00 15.75 H ATOM 329 CG1 ILE A 22 -45.821 -19.569 35.704 1.00 15.75 C ATOM 330 1HG1 ILE A 22 -44.831 -19.499 35.254 1.00 15.75 H ATOM 331 2HG1 ILE A 22 -45.807 -20.399 36.402 1.00 15.75 H ATOM 332 CG2 ILE A 22 -45.994 -17.054 35.491 1.00 15.75 C ATOM 333 1HG2 ILE A 22 -46.782 -17.104 34.740 1.00 15.75 H ATOM 334 2HG2 ILE A 22 -45.024 -17.081 34.987 1.00 15.75 H ATOM 335 3HG2 ILE A 22 -46.080 -16.112 36.021 1.00 15.75 H ATOM 336 CD1 ILE A 22 -46.829 -19.935 34.602 1.00 15.75 C ATOM 337 1HD1 ILE A 22 -46.588 -20.926 34.215 1.00 15.75 H ATOM 338 2HD1 ILE A 22 -46.771 -19.220 33.782 1.00 15.75 H ATOM 339 3HD1 ILE A 22 -47.840 -19.948 35.009 1.00 15.75 H ATOM 340 N ARG A 23 -46.546 -16.834 39.214 1.00 -3.90 N ATOM 341 H ARG A 23 -47.073 -17.692 39.313 1.00 -3.90 H ATOM 342 CA ARG A 23 -47.026 -15.689 39.991 1.00 -3.90 C ATOM 343 HA ARG A 23 -46.207 -15.035 40.288 1.00 -3.90 H ATOM 344 C ARG A 23 -47.643 -16.366 41.190 1.00 -3.90 C ATOM 345 O ARG A 23 -47.961 -17.547 41.084 1.00 -3.90 O ATOM 346 CB ARG A 23 -48.134 -14.911 39.268 1.00 -3.90 C ATOM 347 1HB ARG A 23 -48.928 -15.611 39.005 1.00 -3.90 H ATOM 348 2HB ARG A 23 -48.548 -14.180 39.963 1.00 -3.90 H ATOM 349 CG ARG A 23 -47.709 -14.175 38.010 1.00 -3.90 C ATOM 350 1HG ARG A 23 -46.898 -13.487 38.249 1.00 -3.90 H ATOM 351 2HG ARG A 23 -47.364 -14.895 37.274 1.00 -3.90 H ATOM 352 CD ARG A 23 -48.877 -13.398 37.426 1.00 -3.90 C ATOM 353 1HD ARG A 23 -49.709 -14.086 37.262 1.00 -3.90 H ATOM 354 2HD ARG A 23 -49.186 -12.635 38.143 1.00 -3.90 H ATOM 355 NE ARG A 23 -48.522 -12.759 36.150 1.00 -3.90 N ATOM 356 HE ARG A 23 -47.587 -12.925 35.813 1.00 -3.90 H ATOM 357 CZ ARG A 23 -49.316 -12.000 35.404 1.00 -3.90 C ATOM 358 NH1 ARG A 23 -48.856 -11.521 34.281 1.00 -3.90 N ATOM 359 1HH1 ARG A 23 -47.921 -11.736 33.980 1.00 -3.90 H ATOM 360 2HH1 ARG A 23 -49.438 -10.934 33.708 1.00 -3.90 H ATOM 361 NH2 ARG A 23 -50.546 -11.694 35.736 1.00 -3.90 N ATOM 362 1HH2 ARG A 23 -50.931 -12.049 36.595 1.00 -3.90 H ATOM 363 2HH2 ARG A 23 -51.104 -11.108 35.140 1.00 -3.90 H ATOM 364 N CYS A 24 -47.859 -15.643 42.274 1.00 -9.29 N ATOM 365 H CYS A 24 -47.572 -14.683 42.317 1.00 -9.29 H ATOM 366 CA CYS A 24 -48.620 -16.196 43.384 1.00 -9.29 C ATOM 367 HA CYS A 24 -48.321 -17.230 43.531 1.00 -9.29 H ATOM 368 C CYS A 24 -50.107 -16.134 43.042 1.00 -9.29 C ATOM 369 O CYS A 24 -50.532 -15.223 42.324 1.00 -9.29 O ATOM 370 CB CYS A 24 -48.349 -15.404 44.666 1.00 -9.29 C ATOM 371 1HB CYS A 24 -48.597 -14.354 44.502 1.00 -9.29 H ATOM 372 2HB CYS A 24 -48.995 -15.786 45.456 1.00 -9.29 H ATOM 373 SG CYS A 24 -46.616 -15.551 45.202 1.00 -9.29 S ATOM 374 N PRO A 25 -50.910 -17.083 43.554 1.00 -1.39 N ATOM 375 CA PRO A 25 -52.363 -16.943 43.411 1.00 -1.39 C ATOM 376 HA PRO A 25 -52.645 -16.879 42.360 1.00 -1.39 H ATOM 377 C PRO A 25 -52.902 -15.746 44.186 1.00 -1.39 C ATOM 378 O PRO A 25 -52.215 -15.162 45.031 1.00 -1.39 O ATOM 379 CB PRO A 25 -52.899 -18.235 44.042 1.00 -1.39 C ATOM 380 1HB PRO A 25 -53.186 -18.051 45.077 1.00 -1.39 H ATOM 381 2HB PRO A 25 -53.744 -18.624 43.474 1.00 -1.39 H ATOM 382 CG PRO A 25 -51.756 -19.180 43.997 1.00 -1.39 C ATOM 383 1HG PRO A 25 -51.870 -19.974 44.734 1.00 -1.39 H ATOM 384 2HG PRO A 25 -51.650 -19.594 42.993 1.00 -1.39 H ATOM 385 CD PRO A 25 -50.592 -18.299 44.322 1.00 -1.39 C ATOM 386 1HD PRO A 25 -50.550 -18.080 45.387 1.00 -1.39 H ATOM 387 2HD PRO A 25 -49.665 -18.753 43.981 1.00 -1.39 H ATOM 388 N GLY A 26 -54.165 -15.420 43.946 1.00 6.77 N ATOM 389 H GLY A 26 -54.693 -15.926 43.256 1.00 6.77 H ATOM 390 CA GLY A 26 -54.819 -14.381 44.723 1.00 6.77 C ATOM 391 1HA GLY A 26 -54.281 -13.444 44.580 1.00 6.77 H ATOM 392 2HA GLY A 26 -55.848 -14.259 44.387 1.00 6.77 H ATOM 393 C GLY A 26 -54.812 -14.733 46.200 1.00 6.77 C ATOM 394 O GLY A 26 -54.823 -15.907 46.571 1.00 6.77 O ATOM 395 N SER A 27 -54.774 -13.702 47.036 1.00 27.23 N ATOM 396 H SER A 27 -54.806 -12.776 46.639 1.00 27.23 H ATOM 397 CA SER A 27 -54.652 -13.799 48.500 1.00 27.23 C ATOM 398 HA SER A 27 -54.582 -12.774 48.862 1.00 27.23 H ATOM 399 C SER A 27 -53.393 -14.502 49.022 1.00 27.23 C ATOM 400 O SER A 27 -53.351 -14.876 50.194 1.00 27.23 O ATOM 401 CB SER A 27 -55.913 -14.398 49.151 1.00 27.23 C ATOM 402 1HB SER A 27 -55.877 -14.219 50.226 1.00 27.23 H ATOM 403 2HB SER A 27 -56.791 -13.894 48.746 1.00 27.23 H ATOM 404 OG SER A 27 -56.035 -15.796 48.926 1.00 27.23 O ATOM 405 HG SER A 27 -55.722 -15.977 48.020 1.00 27.23 H ATOM 406 N MET A 28 -52.359 -14.644 48.200 1.00 11.33 N ATOM 407 H MET A 28 -52.423 -14.337 47.234 1.00 11.33 H ATOM 408 CA MET A 28 -51.077 -15.210 48.630 1.00 11.33 C ATOM 409 HA MET A 28 -51.084 -15.358 49.706 1.00 11.33 H ATOM 410 C MET A 28 -49.970 -14.216 48.295 1.00 11.33 C ATOM 411 O MET A 28 -50.111 -13.424 47.369 1.00 11.33 O ATOM 412 CB MET A 28 -50.828 -16.562 47.964 1.00 11.33 C ATOM 413 1HB MET A 28 -50.847 -16.439 46.883 1.00 11.33 H ATOM 414 2HB MET A 28 -49.843 -16.911 48.262 1.00 11.33 H ATOM 415 CG MET A 28 -51.863 -17.598 48.369 1.00 11.33 C ATOM 416 1HG MET A 28 -51.865 -17.662 49.454 1.00 11.33 H ATOM 417 2HG MET A 28 -52.846 -17.251 48.050 1.00 11.33 H ATOM 418 SD MET A 28 -51.608 -19.254 47.700 1.00 11.33 S ATOM 419 CE MET A 28 -50.112 -19.813 48.506 1.00 11.33 C ATOM 420 1HE MET A 28 -49.863 -20.812 48.147 1.00 11.33 H ATOM 421 2HE MET A 28 -50.252 -19.843 49.585 1.00 11.33 H ATOM 422 3HE MET A 28 -49.289 -19.143 48.271 1.00 11.33 H ATOM 423 N ARG A 29 -48.904 -14.200 49.087 1.00-10.90 N ATOM 424 H ARG A 29 -48.805 -14.925 49.796 1.00-10.90 H ATOM 425 CA ARG A 29 -47.903 -13.121 49.030 1.00-10.90 C ATOM 426 HA ARG A 29 -48.217 -12.367 48.307 1.00-10.90 H ATOM 427 C ARG A 29 -46.526 -13.618 48.640 1.00-10.90 C ATOM 428 O ARG A 29 -46.010 -14.519 49.288 1.00-10.90 O ATOM 429 CB ARG A 29 -47.786 -12.465 50.412 1.00-10.90 C ATOM 430 1HB ARG A 29 -47.503 -13.240 51.124 1.00-10.90 H ATOM 431 2HB ARG A 29 -46.991 -11.719 50.389 1.00-10.90 H ATOM 432 CG ARG A 29 -49.069 -11.798 50.894 1.00-10.90 C ATOM 433 1HG ARG A 29 -49.038 -10.730 50.679 1.00-10.90 H ATOM 434 2HG ARG A 29 -49.916 -12.225 50.361 1.00-10.90 H ATOM 435 CD ARG A 29 -49.288 -12.023 52.386 1.00-10.90 C ATOM 436 1HD ARG A 29 -48.924 -13.014 52.663 1.00-10.90 H ATOM 437 2HD ARG A 29 -48.736 -11.276 52.957 1.00-10.90 H ATOM 438 NE ARG A 29 -50.721 -11.951 52.704 1.00-10.90 N ATOM 439 HE ARG A 29 -51.052 -11.096 53.117 1.00-10.90 H ATOM 440 CZ ARG A 29 -51.602 -12.927 52.519 1.00-10.90 C ATOM 441 NH1 ARG A 29 -52.861 -12.711 52.772 1.00-10.90 N ATOM 442 1HH1 ARG A 29 -53.158 -11.838 53.166 1.00-10.90 H ATOM 443 2HH1 ARG A 29 -53.528 -13.439 52.580 1.00-10.90 H ATOM 444 NH2 ARG A 29 -51.287 -14.108 52.061 1.00-10.90 N ATOM 445 1HH2 ARG A 29 -50.320 -14.366 51.959 1.00-10.90 H ATOM 446 2HH2 ARG A 29 -52.018 -14.773 51.832 1.00-10.90 H ATOM 447 N GLN A 30 -45.920 -13.022 47.625 1.00 -9.28 N ATOM 448 H GLN A 30 -46.395 -12.292 47.120 1.00 -9.28 H ATOM 449 CA GLN A 30 -44.553 -13.371 47.237 1.00 -9.28 C ATOM 450 HA GLN A 30 -44.485 -14.446 47.074 1.00 -9.28 H ATOM 451 C GLN A 30 -43.606 -12.966 48.368 1.00 -9.28 C ATOM 452 O GLN A 30 -43.452 -11.782 48.643 1.00 -9.28 O ATOM 453 CB GLN A 30 -44.162 -12.627 45.950 1.00 -9.28 C ATOM 454 1HB GLN A 30 -44.886 -12.864 45.171 1.00 -9.28 H ATOM 455 2HB GLN A 30 -44.222 -11.558 46.149 1.00 -9.28 H ATOM 456 CG GLN A 30 -42.755 -12.940 45.421 1.00 -9.28 C ATOM 457 1HG GLN A 30 -42.040 -12.845 46.237 1.00 -9.28 H ATOM 458 2HG GLN A 30 -42.727 -13.965 45.052 1.00 -9.28 H ATOM 459 CD GLN A 30 -42.323 -11.990 44.316 1.00 -9.28 C ATOM 460 OE1 GLN A 30 -42.293 -12.332 43.139 1.00 -9.28 O ATOM 461 NE2 GLN A 30 -41.969 -10.789 44.689 1.00 -9.28 N ATOM 462 1HE2 GLN A 30 -41.671 -10.134 43.987 1.00 -9.28 H ATOM 463 2HE2 GLN A 30 -42.009 -10.525 45.661 1.00 -9.28 H ATOM 464 N ILE A 31 -42.959 -13.936 48.997 1.00 2.98 N ATOM 465 H ILE A 31 -43.167 -14.906 48.759 1.00 2.98 H ATOM 466 CA ILE A 31 -41.969 -13.670 50.050 1.00 2.98 C ATOM 467 HA ILE A 31 -41.913 -12.596 50.221 1.00 2.98 H ATOM 468 C ILE A 31 -40.583 -14.109 49.585 1.00 2.98 C ATOM 469 O ILE A 31 -39.595 -14.066 50.327 1.00 2.98 O ATOM 470 CB ILE A 31 -42.366 -14.331 51.400 1.00 2.98 C ATOM 471 HB ILE A 31 -41.582 -14.109 52.124 1.00 2.98 H ATOM 472 CG1 ILE A 31 -42.487 -15.861 51.262 1.00 2.98 C ATOM 473 1HG1 ILE A 31 -43.378 -16.095 50.680 1.00 2.98 H ATOM 474 2HG1 ILE A 31 -41.620 -16.232 50.717 1.00 2.98 H ATOM 475 CG2 ILE A 31 -43.682 -13.701 51.917 1.00 2.98 C ATOM 476 1HG2 ILE A 31 -43.894 -14.055 52.921 1.00 2.98 H ATOM 477 2HG2 ILE A 31 -44.513 -13.965 51.263 1.00 2.98 H ATOM 478 3HG2 ILE A 31 -43.587 -12.613 51.940 1.00 2.98 H ATOM 479 CD1 ILE A 31 -42.560 -16.624 52.591 1.00 2.98 C ATOM 480 1HD1 ILE A 31 -42.617 -17.695 52.394 1.00 2.98 H ATOM 481 2HD1 ILE A 31 -43.439 -16.327 53.156 1.00 2.98 H ATOM 482 3HD1 ILE A 31 -41.667 -16.420 53.182 1.00 2.98 H ATOM 483 N GLY A 32 -40.508 -14.521 48.329 1.00 -6.74 N ATOM 484 H GLY A 32 -41.334 -14.566 47.753 1.00 -6.74 H ATOM 485 CA GLY A 32 -39.242 -14.933 47.762 1.00 -6.74 C ATOM 486 1HA GLY A 32 -38.671 -14.055 47.466 1.00 -6.74 H ATOM 487 2HA GLY A 32 -38.687 -15.466 48.524 1.00 -6.74 H ATOM 488 C GLY A 32 -39.394 -15.847 46.571 1.00 -6.74 C ATOM 489 O GLY A 32 -40.426 -15.821 45.897 1.00 -6.74 O ATOM 490 N THR A 33 -38.382 -16.667 46.340 1.00 3.96 N ATOM 491 H THR A 33 -37.576 -16.651 46.963 1.00 3.96 H ATOM 492 CA THR A 33 -38.350 -17.642 45.258 1.00 3.96 C ATOM 493 HA THR A 33 -39.320 -17.700 44.769 1.00 3.96 H ATOM 494 C THR A 33 -38.010 -19.003 45.851 1.00 3.96 C ATOM 495 O THR A 33 -37.520 -19.087 46.975 1.00 3.96 O ATOM 496 CB THR A 33 -37.271 -17.287 44.212 1.00 3.96 C ATOM 497 HB THR A 33 -37.203 -18.087 43.473 1.00 3.96 H ATOM 498 OG1 THR A 33 -36.012 -17.129 44.872 1.00 3.96 O ATOM 499 HG1 THR A 33 -35.333 -17.030 44.197 1.00 3.96 H ATOM 500 CG2 THR A 33 -37.585 -15.981 43.502 1.00 3.96 C ATOM 501 1HG2 THR A 33 -36.840 -15.807 42.726 1.00 3.96 H ATOM 502 2HG2 THR A 33 -37.567 -15.153 44.210 1.00 3.96 H ATOM 503 3HG2 THR A 33 -38.571 -16.046 43.038 1.00 3.96 H ATOM 504 N CYS A 34 -38.255 -20.065 45.099 1.00 25.74 N ATOM 505 H CYS A 34 -38.669 -19.930 44.175 1.00 25.74 H ATOM 506 CA CYS A 34 -37.977 -21.427 45.554 1.00 25.74 C ATOM 507 HA CYS A 34 -37.775 -21.409 46.623 1.00 25.74 H ATOM 508 C CYS A 34 -36.758 -22.050 44.873 1.00 25.74 C ATOM 509 O CYS A 34 -36.682 -23.276 44.771 1.00 25.74 O ATOM 510 CB CYS A 34 -39.201 -22.315 45.333 1.00 25.74 C ATOM 511 1HB CYS A 34 -39.513 -22.250 44.294 1.00 25.74 H ATOM 512 2HB CYS A 34 -38.927 -23.346 45.545 1.00 25.74 H ATOM 513 SG CYS A 34 -40.585 -21.881 46.426 1.00 25.74 S ATOM 514 N LEU A 35 -35.843 -21.203 44.415 1.00 46.31 N ATOM 515 H LEU A 35 -35.993 -20.221 44.591 1.00 46.31 H ATOM 516 CA LEU A 35 -34.608 -21.539 43.672 1.00 46.31 C ATOM 517 HA LEU A 35 -34.064 -20.601 43.568 1.00 46.31 H ATOM 518 C LEU A 35 -34.811 -22.052 42.246 1.00 46.31 C ATOM 519 O LEU A 35 -33.984 -21.801 41.374 1.00 46.31 O ATOM 520 CB LEU A 35 -33.692 -22.495 44.458 1.00 46.31 C ATOM 521 1HB LEU A 35 -33.681 -22.164 45.487 1.00 46.31 H ATOM 522 2HB LEU A 35 -34.143 -23.486 44.434 1.00 46.31 H ATOM 523 CG LEU A 35 -32.222 -22.650 44.034 1.00 46.31 C ATOM 524 HG LEU A 35 -32.185 -23.022 43.012 1.00 46.31 H ATOM 525 CD1 LEU A 35 -31.445 -21.333 44.105 1.00 46.31 C ATOM 526 1HD1 LEU A 35 -30.392 -21.515 43.893 1.00 46.31 H ATOM 527 2HD1 LEU A 35 -31.549 -20.884 45.094 1.00 46.31 H ATOM 528 3HD1 LEU A 35 -31.830 -20.644 43.353 1.00 46.31 H ATOM 529 CD2 LEU A 35 -31.555 -23.683 44.945 1.00 46.31 C ATOM 530 1HD2 LEU A 35 -30.525 -23.837 44.621 1.00 46.31 H ATOM 531 2HD2 LEU A 35 -32.082 -24.634 44.873 1.00 46.31 H ATOM 532 3HD2 LEU A 35 -31.557 -23.337 45.978 1.00 46.31 H ATOM 533 N GLY A 36 -35.935 -22.700 41.979 1.00 22.54 N ATOM 534 H GLY A 36 -36.557 -22.950 42.733 1.00 22.54 H ATOM 535 CA GLY A 36 -36.302 -22.991 40.604 1.00 22.54 C ATOM 536 1HA GLY A 36 -35.495 -23.543 40.123 1.00 22.54 H ATOM 537 2HA GLY A 36 -37.220 -23.576 40.570 1.00 22.54 H ATOM 538 C GLY A 36 -36.511 -21.673 39.883 1.00 22.54 C ATOM 539 O GLY A 36 -36.979 -20.705 40.489 1.00 22.54 O ATOM 540 N ALA A 37 -36.147 -21.614 38.608 1.00 -8.70 N ATOM 541 H ALA A 37 -35.783 -22.434 38.155 1.00 -8.70 H ATOM 542 CA ALA A 37 -36.250 -20.376 37.842 1.00 -8.70 C ATOM 543 HA ALA A 37 -35.658 -19.608 38.343 1.00 -8.70 H ATOM 544 C ALA A 37 -37.713 -19.931 37.813 1.00 -8.70 C ATOM 545 O ALA A 37 -38.594 -20.756 37.607 1.00 -8.70 O ATOM 546 CB ALA A 37 -35.709 -20.589 36.422 1.00 -8.70 C ATOM 547 1HB ALA A 37 -34.667 -20.907 36.465 1.00 -8.70 H ATOM 548 2HB ALA A 37 -35.775 -19.657 35.860 1.00 -8.70 H ATOM 549 3HB ALA A 37 -36.303 -21.351 35.912 1.00 -8.70 H ATOM 550 N GLN A 38 -37.929 -18.643 38.064 1.00 36.50 N ATOM 551 H GLN A 38 -37.122 -18.066 38.220 1.00 36.50 H ATOM 552 CA GLN A 38 -39.245 -17.987 38.182 1.00 36.50 C ATOM 553 HA GLN A 38 -39.037 -16.932 38.351 1.00 36.50 H ATOM 554 C GLN A 38 -40.130 -18.426 39.362 1.00 36.50 C ATOM 555 O GLN A 38 -40.925 -17.616 39.846 1.00 36.50 O ATOM 556 CB GLN A 38 -40.013 -18.066 36.849 1.00 36.50 C ATOM 557 1HB GLN A 38 -39.301 -17.902 36.042 1.00 36.50 H ATOM 558 2HB GLN A 38 -40.432 -19.066 36.736 1.00 36.50 H ATOM 559 CG GLN A 38 -41.139 -17.043 36.691 1.00 36.50 C ATOM 560 1HG GLN A 38 -41.908 -17.229 37.439 1.00 36.50 H ATOM 561 2HG GLN A 38 -40.729 -16.047 36.848 1.00 36.50 H ATOM 562 CD GLN A 38 -41.774 -17.090 35.319 1.00 36.50 C ATOM 563 OE1 GLN A 38 -42.585 -17.941 35.013 1.00 36.50 O ATOM 564 NE2 GLN A 38 -41.415 -16.156 34.476 1.00 36.50 N ATOM 565 1HE2 GLN A 38 -41.819 -16.176 33.555 1.00 36.50 H ATOM 566 2HE2 GLN A 38 -40.747 -15.459 34.744 1.00 36.50 H ATOM 567 N VAL A 39 -39.960 -19.645 39.860 1.00 23.75 N ATOM 568 H VAL A 39 -39.241 -20.235 39.460 1.00 23.75 H ATOM 569 CA VAL A 39 -40.807 -20.206 40.912 1.00 23.75 C ATOM 570 HA VAL A 39 -41.820 -20.205 40.522 1.00 23.75 H ATOM 571 C VAL A 39 -40.812 -19.354 42.172 1.00 23.75 C ATOM 572 O VAL A 39 -39.785 -19.116 42.812 1.00 23.75 O ATOM 573 CB VAL A 39 -40.416 -21.671 41.268 1.00 23.75 C ATOM 574 HB VAL A 39 -39.433 -21.668 41.737 1.00 23.75 H ATOM 575 CG1 VAL A 39 -41.425 -22.296 42.247 1.00 23.75 C ATOM 576 1HG1 VAL A 39 -41.113 -23.309 42.497 1.00 23.75 H ATOM 577 2HG1 VAL A 39 -42.418 -22.329 41.800 1.00 23.75 H ATOM 578 3HG1 VAL A 39 -41.472 -21.710 43.166 1.00 23.75 H ATOM 579 CG2 VAL A 39 -40.338 -22.547 40.007 1.00 23.75 C ATOM 580 1HG2 VAL A 39 -40.213 -23.595 40.281 1.00 23.75 H ATOM 581 2HG2 VAL A 39 -39.482 -22.254 39.404 1.00 23.75 H ATOM 582 3HG2 VAL A 39 -41.242 -22.438 39.408 1.00 23.75 H ATOM 583 N LYS A 40 -42.002 -18.881 42.504 1.00-10.58 N ATOM 584 H LYS A 40 -42.809 -19.179 41.960 1.00-10.58 H ATOM 585 CA LYS A 40 -42.238 -17.949 43.595 1.00-10.58 C ATOM 586 HA LYS A 40 -41.392 -17.272 43.705 1.00-10.58 H ATOM 587 C LYS A 40 -42.461 -18.721 44.872 1.00-10.58 C ATOM 588 O LYS A 40 -43.099 -19.763 44.842 1.00-10.58 O ATOM 589 CB LYS A 40 -43.528 -17.173 43.305 1.00-10.58 C ATOM 590 1HB LYS A 40 -44.357 -17.879 43.338 1.00-10.58 H ATOM 591 2HB LYS A 40 -43.676 -16.438 44.096 1.00-10.58 H ATOM 592 CG LYS A 40 -43.592 -16.471 41.957 1.00-10.58 C ATOM 593 1HG LYS A 40 -43.484 -17.196 41.150 1.00-10.58 H ATOM 594 2HG LYS A 40 -44.567 -15.994 41.865 1.00-10.58 H ATOM 595 CD LYS A 40 -42.520 -15.416 41.832 1.00-10.58 C ATOM 596 1HD LYS A 40 -42.613 -14.733 42.670 1.00-10.58 H ATOM 597 2HD LYS A 40 -41.535 -15.882 41.857 1.00-10.58 H ATOM 598 CE LYS A 40 -42.664 -14.651 40.536 1.00-10.58 C ATOM 599 1HE LYS A 40 -42.532 -15.337 39.694 1.00-10.58 H ATOM 600 2HE LYS A 40 -43.660 -14.208 40.484 1.00-10.58 H ATOM 601 NZ LYS A 40 -41.630 -13.577 40.500 1.00-10.58 N ATOM 602 1HZ LYS A 40 -41.733 -13.028 39.659 1.00-10.58 H ATOM 603 2HZ LYS A 40 -40.711 -13.994 40.524 1.00-10.58 H ATOM 604 3HZ LYS A 40 -41.747 -12.976 41.313 1.00-10.58 H ATOM 605 N CYS A 41 -42.029 -18.171 45.991 1.00-22.47 N ATOM 606 H CYS A 41 -41.478 -17.320 45.951 1.00-22.47 H ATOM 607 CA CYS A 41 -42.439 -18.674 47.292 1.00-22.47 C ATOM 608 HA CYS A 41 -42.786 -19.703 47.211 1.00-22.47 H ATOM 609 C CYS A 41 -43.589 -17.778 47.731 1.00-22.47 C ATOM 610 O CYS A 41 -43.396 -16.568 47.900 1.00-22.47 O ATOM 611 CB CYS A 41 -41.306 -18.595 48.311 1.00-22.47 C ATOM 612 1HB CYS A 41 -40.460 -19.190 47.964 1.00-22.47 H ATOM 613 2HB CYS A 41 -40.991 -17.558 48.419 1.00-22.47 H ATOM 614 SG CYS A 41 -41.863 -19.213 49.928 1.00-22.47 S ATOM 615 N CYS A 42 -44.775 -18.351 47.865 1.00-19.43 N ATOM 616 H CYS A 42 -44.869 -19.353 47.702 1.00-19.43 H ATOM 617 CA CYS A 42 -45.990 -17.600 48.155 1.00-19.43 C ATOM 618 HA CYS A 42 -45.772 -16.539 48.116 1.00-19.43 H ATOM 619 C CYS A 42 -46.580 -17.943 49.519 1.00-19.43 C ATOM 620 O CYS A 42 -47.076 -19.050 49.717 1.00-19.43 O ATOM 621 CB CYS A 42 -47.008 -17.921 47.066 1.00-19.43 C ATOM 622 1HB CYS A 42 -47.246 -18.985 47.115 1.00-19.43 H ATOM 623 2HB CYS A 42 -47.918 -17.349 47.238 1.00-19.43 H ATOM 624 SG CYS A 42 -46.359 -17.554 45.410 1.00-19.43 S ATOM 625 N ARG A 43 -46.527 -17.025 50.474 1.00 -5.58 N ATOM 626 H ARG A 43 -46.126 -16.111 50.266 1.00 -5.58 H ATOM 627 CA ARG A 43 -47.083 -17.293 51.804 1.00 -5.58 C ATOM 628 HA ARG A 43 -46.806 -18.301 52.089 1.00 -5.58 H ATOM 629 C ARG A 43 -48.601 -17.230 51.756 1.00 -5.58 C ATOM 630 O ARG A 43 -49.168 -16.315 51.148 1.00 -5.58 O ATOM 631 CB ARG A 43 -46.534 -16.342 52.865 1.00 -5.58 C ATOM 632 1HB ARG A 43 -45.620 -15.884 52.497 1.00 -5.58 H ATOM 633 2HB ARG A 43 -47.263 -15.558 53.051 1.00 -5.58 H ATOM 634 CG ARG A 43 -46.219 -17.100 54.158 1.00 -5.58 C ATOM 635 1HG ARG A 43 -47.006 -17.835 54.327 1.00 -5.58 H ATOM 636 2HG ARG A 43 -45.288 -17.643 54.004 1.00 -5.58 H ATOM 637 CD ARG A 43 -46.098 -16.274 55.438 1.00 -5.58 C ATOM 638 1HD ARG A 43 -47.095 -15.988 55.762 1.00 -5.58 H ATOM 639 2HD ARG A 43 -45.683 -16.921 56.212 1.00 -5.58 H ATOM 640 NE ARG A 43 -45.263 -15.066 55.340 1.00 -5.58 N ATOM 641 HE ARG A 43 -44.270 -15.223 55.335 1.00 -5.58 H ATOM 642 CZ ARG A 43 -45.699 -13.811 55.322 1.00 -5.58 C ATOM 643 NH1 ARG A 43 -44.818 -12.850 55.373 1.00 -5.58 N ATOM 644 1HH1 ARG A 43 -43.839 -13.064 55.430 1.00 -5.58 H ATOM 645 2HH1 ARG A 43 -45.123 -11.893 55.370 1.00 -5.58 H ATOM 646 NH2 ARG A 43 -46.958 -13.462 55.269 1.00 -5.58 N ATOM 647 1HH2 ARG A 43 -47.687 -14.175 55.167 1.00 -5.58 H ATOM 648 2HH2 ARG A 43 -47.238 -12.504 55.337 1.00 -5.58 H ATOM 649 N ARG A 44 -49.251 -18.218 52.360 1.00 14.09 N ATOM 650 H ARG A 44 -48.718 -18.938 52.834 1.00 14.09 H ATOM 651 CA ARG A 44 -50.714 -18.325 52.315 1.00 14.09 C ATOM 652 HA ARG A 44 -51.018 -18.187 51.282 1.00 14.09 H ATOM 653 C ARG A 44 -51.423 -17.246 53.125 1.00 14.09 C ATOM 654 O ARG A 44 -52.508 -16.810 52.744 1.00 14.09 O ATOM 655 CB ARG A 44 -51.162 -19.723 52.781 1.00 14.09 C ATOM 656 1HB ARG A 44 -50.580 -20.469 52.238 1.00 14.09 H ATOM 657 2HB ARG A 44 -50.937 -19.825 53.844 1.00 14.09 H ATOM 658 CG ARG A 44 -52.659 -20.032 52.571 1.00 14.09 C ATOM 659 1HG ARG A 44 -52.915 -20.962 53.078 1.00 14.09 H ATOM 660 2HG ARG A 44 -53.251 -19.232 53.009 1.00 14.09 H ATOM 661 CD ARG A 44 -53.010 -20.155 51.087 1.00 14.09 C ATOM 662 1HD ARG A 44 -52.467 -19.398 50.533 1.00 14.09 H ATOM 663 2HD ARG A 44 -52.676 -21.129 50.727 1.00 14.09 H ATOM 664 NE ARG A 44 -54.439 -19.982 50.780 1.00 14.09 N ATOM 665 HE ARG A 44 -54.987 -20.823 50.707 1.00 14.09 H ATOM 666 CZ ARG A 44 -55.044 -18.829 50.508 1.00 14.09 C ATOM 667 NH1 ARG A 44 -56.231 -18.849 49.972 1.00 14.09 N ATOM 668 1HH1 ARG A 44 -56.692 -19.719 49.777 1.00 14.09 H ATOM 669 2HH1 ARG A 44 -56.679 -17.976 49.738 1.00 14.09 H ATOM 670 NH2 ARG A 44 -54.528 -17.651 50.734 1.00 14.09 N ATOM 671 1HH2 ARG A 44 -53.676 -17.548 51.270 1.00 14.09 H ATOM 672 2HH2 ARG A 44 -54.985 -16.820 50.384 1.00 14.09 H ATOM 673 N LYS A 45 -50.802 -16.796 54.202 1.00 -7.84 N ATOM 674 H LYS A 45 -49.872 -17.124 54.417 1.00 -7.84 H ATOM 675 CA LYS A 45 -51.313 -15.718 55.049 1.00 -7.84 C ATOM 676 HA LYS A 45 -52.184 -15.235 54.609 1.00 -7.84 H ATOM 677 C LYS A 45 -50.152 -14.754 55.048 1.00 -7.84 C ATOM 678 O LYS A 45 -49.085 -15.272 54.668 1.00 -7.84 O ATOM 679 OXT LYS A 45 -50.272 -13.561 55.351 1.00 -7.84 O ATOM 680 CB LYS A 45 -51.616 -16.187 56.472 1.00 -7.84 C ATOM 681 1HB LYS A 45 -50.742 -16.707 56.865 1.00 -7.84 H ATOM 682 2HB LYS A 45 -51.791 -15.301 57.085 1.00 -7.84 H ATOM 683 CG LYS A 45 -52.830 -17.093 56.583 1.00 -7.84 C ATOM 684 1HG LYS A 45 -53.683 -16.605 56.111 1.00 -7.84 H ATOM 685 2HG LYS A 45 -52.631 -18.038 56.076 1.00 -7.84 H ATOM 686 CD LYS A 45 -53.152 -17.356 58.047 1.00 -7.84 C ATOM 687 1HD LYS A 45 -52.290 -17.828 58.522 1.00 -7.84 H ATOM 688 2HD LYS A 45 -53.349 -16.402 58.540 1.00 -7.84 H ATOM 689 CE LYS A 45 -54.372 -18.256 58.197 1.00 -7.84 C ATOM 690 1HE LYS A 45 -55.219 -17.791 57.687 1.00 -7.84 H ATOM 691 2HE LYS A 45 -54.166 -19.219 57.726 1.00 -7.84 H ATOM 692 NZ LYS A 45 -54.716 -18.466 59.647 1.00 -7.84 N ATOM 693 1HZ LYS A 45 -55.529 -19.063 59.726 1.00 -7.84 H ATOM 694 2HZ LYS A 45 -54.917 -17.575 60.084 1.00 -7.84 H ATOM 695 3HZ LYS A 45 -53.938 -18.899 60.125 1.00 -7.84 H TER 696 LYS A 45 CONECT 170 167 614 CONECT 290 287 513 CONECT 373 370 624 CONECT 513 290 510 CONECT 614 170 611 CONECT 624 373 621 END
SEQUENCE	GFTQGVRNSQSCRRNKGICVPIRCPGSMRQIGTCLGAQVKCCRRK
HELICITY	22.20	INSTAB. INDEX	69.50	FLEXIBILITY	13.80
a HYD. MOM.	58.34	b HYD. MOM.	28.40	c HYD. MOM	5.15
a MEAN HYD. MOM.	1.30	b MEAN HYD. MOM.	0.63	c MEAN HYD. MOM.	0.11
CHARGE pH5	10.00	CHARGE pH7	9.73	CHARGE pH9	4.79
Δ CHARGE pH5-pH9	5.21	ISOELECTRIC POINT	10.85	BOMAN INDEX	2.66
ΔG	27	CPP	0,02	MLP	-17,93
MOLECULAR VOLUME		POLARITY
MIC E. coli		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	Artiodactyla
FAMILY	Bovidae	GENUS	Bos	SPECIES	Bos taurus
DATE	1995
TITLE PAPER	Epithelial antibiotics induced at sites of inflammation.