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ID	2396	NAME	LAP   Blast NCBI-PROT
LENGTH	41	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\GVRNSQSCRRNKGICVPIRCPGSMRQIGTCLGAQVKCCRRK.pdb REMARK YASARA Written on: Wed May 14 19:43:08 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 637 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 41 GLY VAL ARG ASN SER GLN SER CYS ARG ARG ASN LYS GLY SEQRES 2 A 41 ILE CYS VAL PRO ILE ARG CYS PRO GLY SER MET ARG GLN SEQRES 3 A 41 ILE GLY THR CYS LEU GLY ALA GLN VAL LYS CYS CYS ARG SEQRES 4 A 41 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 8 CYS A 37 2.03 SSBOND 3 CYS A 15 CYS A 30 2.03 SSBOND 5 CYS A 20 CYS A 38 2.03 ATOM 1 N GLY A 1 -28.475 -13.013 49.865 1.00-29.16 N ATOM 2 1H GLY A 1 -28.754 -12.044 49.923 1.00-29.16 H ATOM 3 2H GLY A 1 -27.823 -13.133 49.102 1.00-29.16 H ATOM 4 3H GLY A 1 -28.028 -13.289 50.728 1.00-29.16 H ATOM 5 CA GLY A 1 -29.662 -13.860 49.633 1.00-29.16 C ATOM 6 1HA GLY A 1 -30.361 -13.740 50.460 1.00-29.16 H ATOM 7 2HA GLY A 1 -30.148 -13.557 48.707 1.00-29.16 H ATOM 8 C GLY A 1 -29.266 -15.306 49.530 1.00-29.16 C ATOM 9 O GLY A 1 -28.075 -15.586 49.570 1.00-29.16 O ATOM 10 N VAL A 2 -30.222 -16.214 49.413 1.00 8.30 N ATOM 11 H VAL A 2 -31.196 -15.914 49.376 1.00 8.30 H ATOM 12 CA VAL A 2 -29.938 -17.646 49.293 1.00 8.30 C ATOM 13 HA VAL A 2 -29.321 -17.965 50.132 1.00 8.30 H ATOM 14 C VAL A 2 -29.185 -17.906 47.986 1.00 8.30 C ATOM 15 O VAL A 2 -29.526 -17.327 46.955 1.00 8.30 O ATOM 16 CB VAL A 2 -31.274 -18.445 49.308 1.00 8.30 C ATOM 17 HB VAL A 2 -31.908 -18.083 48.502 1.00 8.30 H ATOM 18 CG1 VAL A 2 -31.053 -19.936 49.096 1.00 8.30 C ATOM 19 1HG1 VAL A 2 -32.013 -20.438 49.117 1.00 8.30 H ATOM 20 2HG1 VAL A 2 -30.414 -20.350 49.875 1.00 8.30 H ATOM 21 3HG1 VAL A 2 -30.621 -20.120 48.112 1.00 8.30 H ATOM 22 CG2 VAL A 2 -32.013 -18.226 50.635 1.00 8.30 C ATOM 23 1HG2 VAL A 2 -32.922 -18.828 50.653 1.00 8.30 H ATOM 24 2HG2 VAL A 2 -32.302 -17.180 50.742 1.00 8.30 H ATOM 25 3HG2 VAL A 2 -31.381 -18.513 51.477 1.00 8.30 H ATOM 26 N ARG A 3 -28.181 -18.777 48.015 1.00 9.73 N ATOM 27 H ARG A 3 -27.864 -19.132 48.903 1.00 9.73 H ATOM 28 CA ARG A 3 -27.512 -19.224 46.786 1.00 9.73 C ATOM 29 HA ARG A 3 -28.055 -18.794 45.949 1.00 9.73 H ATOM 30 C ARG A 3 -27.515 -20.722 46.491 1.00 9.73 C ATOM 31 O ARG A 3 -26.944 -21.124 45.488 1.00 9.73 O ATOM 32 CB ARG A 3 -26.071 -18.685 46.740 1.00 9.73 C ATOM 33 1HB ARG A 3 -25.750 -18.481 47.762 1.00 9.73 H ATOM 34 2HB ARG A 3 -25.407 -19.451 46.343 1.00 9.73 H ATOM 35 CG ARG A 3 -25.877 -17.409 45.903 1.00 9.73 C ATOM 36 1HG ARG A 3 -26.492 -16.616 46.330 1.00 9.73 H ATOM 37 2HG ARG A 3 -24.832 -17.106 45.970 1.00 9.73 H ATOM 38 CD ARG A 3 -26.246 -17.572 44.417 1.00 9.73 C ATOM 39 1HD ARG A 3 -27.302 -17.812 44.351 1.00 9.73 H ATOM 40 2HD ARG A 3 -26.084 -16.621 43.910 1.00 9.73 H ATOM 41 NE ARG A 3 -25.473 -18.617 43.724 1.00 9.73 N ATOM 42 HE ARG A 3 -24.551 -18.803 44.079 1.00 9.73 H ATOM 43 CZ ARG A 3 -25.877 -19.337 42.682 1.00 9.73 C ATOM 44 NH1 ARG A 3 -25.044 -20.184 42.150 1.00 9.73 N ATOM 45 1HH1 ARG A 3 -24.098 -20.250 42.476 1.00 9.73 H ATOM 46 2HH1 ARG A 3 -25.371 -20.795 41.404 1.00 9.73 H ATOM 47 NH2 ARG A 3 -27.070 -19.266 42.146 1.00 9.73 N ATOM 48 1HH2 ARG A 3 -27.765 -18.641 42.532 1.00 9.73 H ATOM 49 2HH2 ARG A 3 -27.300 -19.849 41.352 1.00 9.73 H ATOM 50 N ASN A 4 -28.143 -21.558 47.309 1.00 24.50 N ATOM 51 H ASN A 4 -28.638 -21.215 48.114 1.00 24.50 H ATOM 52 CA ASN A 4 -28.228 -22.990 46.997 1.00 24.50 C ATOM 53 HA ASN A 4 -28.212 -23.079 45.916 1.00 24.50 H ATOM 54 C ASN A 4 -29.541 -23.610 47.471 1.00 24.50 C ATOM 55 O ASN A 4 -30.198 -23.087 48.371 1.00 24.50 O ATOM 56 CB ASN A 4 -27.015 -23.773 47.533 1.00 24.50 C ATOM 57 1HB ASN A 4 -26.990 -24.754 47.058 1.00 24.50 H ATOM 58 2HB ASN A 4 -26.102 -23.243 47.265 1.00 24.50 H ATOM 59 CG ASN A 4 -27.052 -23.989 49.022 1.00 24.50 C ATOM 60 OD1 ASN A 4 -27.865 -24.747 49.529 1.00 24.50 O ATOM 61 ND2 ASN A 4 -26.155 -23.366 49.731 1.00 24.50 N ATOM 62 1HD2 ASN A 4 -26.144 -23.512 50.726 1.00 24.50 H ATOM 63 2HD2 ASN A 4 -25.472 -22.776 49.286 1.00 24.50 H ATOM 64 N SER A 5 -29.926 -24.719 46.856 1.00 -1.56 N ATOM 65 H SER A 5 -29.330 -25.144 46.159 1.00 -1.56 H ATOM 66 CA SER A 5 -31.223 -25.348 47.105 1.00 -1.56 C ATOM 67 HA SER A 5 -32.003 -24.603 46.948 1.00 -1.56 H ATOM 68 C SER A 5 -31.429 -25.933 48.502 1.00 -1.56 C ATOM 69 O SER A 5 -32.559 -25.973 48.991 1.00 -1.56 O ATOM 70 CB SER A 5 -31.406 -26.462 46.076 1.00 -1.56 C ATOM 71 1HB SER A 5 -32.362 -26.962 46.238 1.00 -1.56 H ATOM 72 2HB SER A 5 -31.393 -26.027 45.076 1.00 -1.56 H ATOM 73 OG SER A 5 -30.339 -27.390 46.183 1.00 -1.56 O ATOM 74 HG SER A 5 -30.328 -27.940 45.390 1.00 -1.56 H ATOM 75 N GLN A 6 -30.374 -26.360 49.182 1.00-10.97 N ATOM 76 H GLN A 6 -29.447 -26.291 48.783 1.00-10.97 H ATOM 77 CA GLN A 6 -30.546 -26.899 50.532 1.00-10.97 C ATOM 78 HA GLN A 6 -31.359 -27.625 50.540 1.00-10.97 H ATOM 79 C GLN A 6 -30.885 -25.744 51.460 1.00-10.97 C ATOM 80 O GLN A 6 -31.807 -25.810 52.268 1.00-10.97 O ATOM 81 CB GLN A 6 -29.266 -27.526 51.086 1.00-10.97 C ATOM 82 1HB GLN A 6 -28.490 -26.763 51.091 1.00-10.97 H ATOM 83 2HB GLN A 6 -29.474 -27.803 52.120 1.00-10.97 H ATOM 84 CG GLN A 6 -28.696 -28.744 50.385 1.00-10.97 C ATOM 85 1HG GLN A 6 -29.436 -29.543 50.380 1.00-10.97 H ATOM 86 2HG GLN A 6 -28.438 -28.487 49.357 1.00-10.97 H ATOM 87 CD GLN A 6 -27.444 -29.225 51.104 1.00-10.97 C ATOM 88 OE1 GLN A 6 -27.121 -28.749 52.189 1.00-10.97 O ATOM 89 NE2 GLN A 6 -26.733 -30.148 50.517 1.00-10.97 N ATOM 90 1HE2 GLN A 6 -25.898 -30.474 50.978 1.00-10.97 H ATOM 91 2HE2 GLN A 6 -27.006 -30.522 49.626 1.00-10.97 H ATOM 92 N SER A 7 -30.129 -24.664 51.327 1.00 -9.89 N ATOM 93 H SER A 7 -29.382 -24.652 50.632 1.00 -9.89 H ATOM 94 CA SER A 7 -30.309 -23.495 52.174 1.00 -9.89 C ATOM 95 HA SER A 7 -30.361 -23.822 53.209 1.00 -9.89 H ATOM 96 C SER A 7 -31.606 -22.783 51.851 1.00 -9.89 C ATOM 97 O SER A 7 -32.155 -22.112 52.712 1.00 -9.89 O ATOM 98 CB SER A 7 -29.128 -22.541 52.037 1.00 -9.89 C ATOM 99 1HB SER A 7 -29.027 -22.229 50.997 1.00 -9.89 H ATOM 100 2HB SER A 7 -29.301 -21.665 52.664 1.00 -9.89 H ATOM 101 OG SER A 7 -27.943 -23.199 52.460 1.00 -9.89 O ATOM 102 HG SER A 7 -27.273 -22.531 52.644 1.00 -9.89 H ATOM 103 N CYS A 8 -32.144 -22.998 50.659 1.00 -2.58 N ATOM 104 H CYS A 8 -31.631 -23.521 49.962 1.00 -2.58 H ATOM 105 CA CYS A 8 -33.474 -22.497 50.337 1.00 -2.58 C ATOM 106 HA CYS A 8 -33.492 -21.420 50.503 1.00 -2.58 H ATOM 107 C CYS A 8 -34.511 -23.129 51.253 1.00 -2.58 C ATOM 108 O CYS A 8 -35.288 -22.430 51.894 1.00 -2.58 O ATOM 109 CB CYS A 8 -33.821 -22.788 48.875 1.00 -2.58 C ATOM 110 1HB CYS A 8 -33.024 -22.407 48.236 1.00 -2.58 H ATOM 111 2HB CYS A 8 -33.900 -23.864 48.731 1.00 -2.58 H ATOM 112 SG CYS A 8 -35.390 -22.027 48.364 1.00 -2.58 S ATOM 113 N ARG A 9 -34.476 -24.446 51.397 1.00 2.62 N ATOM 114 H ARG A 9 -33.796 -24.994 50.885 1.00 2.62 H ATOM 115 CA ARG A 9 -35.436 -25.118 52.276 1.00 2.62 C ATOM 116 HA ARG A 9 -36.432 -24.727 52.051 1.00 2.62 H ATOM 117 C ARG A 9 -35.172 -24.825 53.747 1.00 2.62 C ATOM 118 O ARG A 9 -36.110 -24.705 54.532 1.00 2.62 O ATOM 119 CB ARG A 9 -35.451 -26.620 51.997 1.00 2.62 C ATOM 120 1HB ARG A 9 -34.451 -27.027 52.150 1.00 2.62 H ATOM 121 2HB ARG A 9 -36.137 -27.093 52.701 1.00 2.62 H ATOM 122 CG ARG A 9 -35.923 -26.930 50.576 1.00 2.62 C ATOM 123 1HG ARG A 9 -36.877 -26.427 50.411 1.00 2.62 H ATOM 124 2HG ARG A 9 -35.200 -26.545 49.858 1.00 2.62 H ATOM 125 CD ARG A 9 -36.121 -28.422 50.337 1.00 2.62 C ATOM 126 1HD ARG A 9 -36.831 -28.797 51.077 1.00 2.62 H ATOM 127 2HD ARG A 9 -36.559 -28.564 49.348 1.00 2.62 H ATOM 128 NE ARG A 9 -34.876 -29.203 50.434 1.00 2.62 N ATOM 129 HE ARG A 9 -34.699 -29.639 51.324 1.00 2.62 H ATOM 130 CZ ARG A 9 -33.999 -29.416 49.461 1.00 2.62 C ATOM 131 NH1 ARG A 9 -32.996 -30.218 49.691 1.00 2.62 N ATOM 132 1HH1 ARG A 9 -32.904 -30.667 50.587 1.00 2.62 H ATOM 133 2HH1 ARG A 9 -32.329 -30.410 48.965 1.00 2.62 H ATOM 134 NH2 ARG A 9 -34.081 -28.881 48.268 1.00 2.62 N ATOM 135 1HH2 ARG A 9 -34.825 -28.232 48.071 1.00 2.62 H ATOM 136 2HH2 ARG A 9 -33.408 -29.107 47.561 1.00 2.62 H ATOM 137 N ARG A 10 -33.918 -24.601 54.123 1.00-18.71 N ATOM 138 H ARG A 10 -33.170 -24.744 53.453 1.00-18.71 H ATOM 139 CA ARG A 10 -33.613 -24.137 55.488 1.00-18.71 C ATOM 140 HA ARG A 10 -34.041 -24.841 56.201 1.00-18.71 H ATOM 141 C ARG A 10 -34.269 -22.779 55.740 1.00-18.71 C ATOM 142 O ARG A 10 -34.804 -22.531 56.818 1.00-18.71 O ATOM 143 CB ARG A 10 -32.101 -24.027 55.736 1.00-18.71 C ATOM 144 1HB ARG A 10 -31.669 -23.355 54.998 1.00-18.71 H ATOM 145 2HB ARG A 10 -31.951 -23.584 56.721 1.00-18.71 H ATOM 146 CG ARG A 10 -31.341 -25.355 55.699 1.00-18.71 C ATOM 147 1HG ARG A 10 -31.765 -26.027 56.444 1.00-18.71 H ATOM 148 2HG ARG A 10 -31.449 -25.809 54.719 1.00-18.71 H ATOM 149 CD ARG A 10 -29.851 -25.163 55.994 1.00-18.71 C ATOM 150 1HD ARG A 10 -29.428 -24.454 55.283 1.00-18.71 H ATOM 151 2HD ARG A 10 -29.747 -24.747 56.997 1.00-18.71 H ATOM 152 NE ARG A 10 -29.118 -26.440 55.930 1.00-18.71 N ATOM 153 HE ARG A 10 -29.228 -27.053 56.721 1.00-18.71 H ATOM 154 CZ ARG A 10 -28.342 -26.869 54.940 1.00-18.71 C ATOM 155 NH1 ARG A 10 -27.898 -28.092 54.975 1.00-18.71 N ATOM 156 1HH1 ARG A 10 -28.091 -28.691 55.759 1.00-18.71 H ATOM 157 2HH1 ARG A 10 -27.359 -28.447 54.187 1.00-18.71 H ATOM 158 NH2 ARG A 10 -27.970 -26.142 53.919 1.00-18.71 N ATOM 159 1HH2 ARG A 10 -28.249 -25.179 53.848 1.00-18.71 H ATOM 160 2HH2 ARG A 10 -27.385 -26.561 53.210 1.00-18.71 H ATOM 161 N ASN A 11 -34.292 -21.937 54.718 1.00 -1.10 N ATOM 162 H ASN A 11 -33.854 -22.219 53.847 1.00 -1.10 H ATOM 163 CA ASN A 11 -34.918 -20.613 54.759 1.00 -1.10 C ATOM 164 HA ASN A 11 -34.810 -20.197 55.762 1.00 -1.10 H ATOM 165 C ASN A 11 -36.416 -20.639 54.439 1.00 -1.10 C ATOM 166 O ASN A 11 -37.020 -19.585 54.230 1.00 -1.10 O ATOM 167 CB ASN A 11 -34.201 -19.687 53.770 1.00 -1.10 C ATOM 168 1HB ASN A 11 -33.906 -20.248 52.887 1.00 -1.10 H ATOM 169 2HB ASN A 11 -34.874 -18.900 53.460 1.00 -1.10 H ATOM 170 CG ASN A 11 -33.012 -19.011 54.375 1.00 -1.10 C ATOM 171 OD1 ASN A 11 -33.152 -17.971 54.992 1.00 -1.10 O ATOM 172 ND2 ASN A 11 -31.848 -19.567 54.205 1.00 -1.10 N ATOM 173 1HD2 ASN A 11 -31.042 -19.125 54.611 1.00 -1.10 H ATOM 174 2HD2 ASN A 11 -31.782 -20.433 53.684 1.00 -1.10 H ATOM 175 N LYS A 12 -37.005 -21.831 54.434 1.00 10.46 N ATOM 176 H LYS A 12 -36.430 -22.652 54.585 1.00 10.46 H ATOM 177 CA LYS A 12 -38.446 -22.061 54.230 1.00 10.46 C ATOM 178 HA LYS A 12 -38.596 -23.141 54.234 1.00 10.46 H ATOM 179 C LYS A 12 -38.939 -21.585 52.867 1.00 10.46 C ATOM 180 O LYS A 12 -40.082 -21.144 52.695 1.00 10.46 O ATOM 181 CB LYS A 12 -39.285 -21.484 55.385 1.00 10.46 C ATOM 182 1HB LYS A 12 -39.311 -20.398 55.289 1.00 10.46 H ATOM 183 2HB LYS A 12 -40.305 -21.856 55.284 1.00 10.46 H ATOM 184 CG LYS A 12 -38.774 -21.822 56.798 1.00 10.46 C ATOM 185 1HG LYS A 12 -37.792 -21.370 56.930 1.00 10.46 H ATOM 186 2HG LYS A 12 -39.451 -21.373 57.525 1.00 10.46 H ATOM 187 CD LYS A 12 -38.671 -23.329 57.081 1.00 10.46 C ATOM 188 1HD LYS A 12 -39.648 -23.788 56.923 1.00 10.46 H ATOM 189 2HD LYS A 12 -37.958 -23.783 56.393 1.00 10.46 H ATOM 190 CE LYS A 12 -38.209 -23.620 58.509 1.00 10.46 C ATOM 191 1HE LYS A 12 -38.941 -23.210 59.209 1.00 10.46 H ATOM 192 2HE LYS A 12 -38.174 -24.703 58.644 1.00 10.46 H ATOM 193 NZ LYS A 12 -36.852 -23.041 58.812 1.00 10.46 N ATOM 194 1HZ LYS A 12 -36.522 -23.370 59.708 1.00 10.46 H ATOM 195 2HZ LYS A 12 -36.902 -22.032 58.827 1.00 10.46 H ATOM 196 3HZ LYS A 12 -36.186 -23.308 58.093 1.00 10.46 H ATOM 197 N GLY A 13 -38.048 -21.702 51.897 1.00 -8.48 N ATOM 198 H GLY A 13 -37.114 -22.043 52.102 1.00 -8.48 H ATOM 199 CA GLY A 13 -38.372 -21.439 50.513 1.00 -8.48 C ATOM 200 1HA GLY A 13 -39.339 -20.956 50.457 1.00 -8.48 H ATOM 201 2HA GLY A 13 -37.621 -20.780 50.079 1.00 -8.48 H ATOM 202 C GLY A 13 -38.451 -22.704 49.692 1.00 -8.48 C ATOM 203 O GLY A 13 -37.957 -23.763 50.082 1.00 -8.48 O ATOM 204 N ILE A 14 -39.098 -22.569 48.546 1.00-19.66 N ATOM 205 H ILE A 14 -39.475 -21.655 48.302 1.00-19.66 H ATOM 206 CA ILE A 14 -39.318 -23.651 47.595 1.00-19.66 C ATOM 207 HA ILE A 14 -38.837 -24.568 47.934 1.00-19.66 H ATOM 208 C ILE A 14 -38.646 -23.144 46.326 1.00-19.66 C ATOM 209 O ILE A 14 -38.763 -21.961 45.997 1.00-19.66 O ATOM 210 CB ILE A 14 -40.844 -23.903 47.378 1.00-19.66 C ATOM 211 HB ILE A 14 -41.290 -22.976 47.025 1.00-19.66 H ATOM 212 CG1 ILE A 14 -41.510 -24.285 48.720 1.00-19.66 C ATOM 213 1HG1 ILE A 14 -41.104 -25.244 49.044 1.00-19.66 H ATOM 214 2HG1 ILE A 14 -41.247 -23.544 49.472 1.00-19.66 H ATOM 215 CG2 ILE A 14 -41.088 -24.999 46.306 1.00-19.66 C ATOM 216 1HG2 ILE A 14 -42.155 -25.118 46.122 1.00-19.66 H ATOM 217 2HG2 ILE A 14 -40.677 -25.954 46.636 1.00-19.66 H ATOM 218 3HG2 ILE A 14 -40.624 -24.715 45.359 1.00-19.66 H ATOM 219 CD1 ILE A 14 -43.045 -24.391 48.712 1.00-19.66 C ATOM 220 1HD1 ILE A 14 -43.397 -24.567 49.729 1.00-19.66 H ATOM 221 2HD1 ILE A 14 -43.363 -25.224 48.084 1.00-19.66 H ATOM 222 3HD1 ILE A 14 -43.482 -23.466 48.339 1.00-19.66 H ATOM 223 N CYS A 15 -37.918 -24.007 45.637 1.00-17.73 N ATOM 224 H CYS A 15 -37.845 -24.960 45.946 1.00-17.73 H ATOM 225 CA CYS A 15 -37.264 -23.623 44.392 1.00-17.73 C ATOM 226 HA CYS A 15 -36.851 -22.627 44.507 1.00-17.73 H ATOM 227 C CYS A 15 -38.275 -23.626 43.247 1.00-17.73 C ATOM 228 O CYS A 15 -38.946 -24.633 43.034 1.00-17.73 O ATOM 229 CB CYS A 15 -36.132 -24.601 44.088 1.00-17.73 C ATOM 230 1HB CYS A 15 -36.553 -25.600 43.973 1.00-17.73 H ATOM 231 2HB CYS A 15 -35.659 -24.314 43.150 1.00-17.73 H ATOM 232 SG CYS A 15 -34.880 -24.622 45.409 1.00-17.73 S ATOM 233 N VAL A 16 -38.391 -22.519 42.526 1.00 4.70 N ATOM 234 H VAL A 16 -37.803 -21.716 42.749 1.00 4.70 H ATOM 235 CA VAL A 16 -39.349 -22.388 41.421 1.00 4.70 C ATOM 236 HA VAL A 16 -39.731 -23.375 41.170 1.00 4.70 H ATOM 237 C VAL A 16 -38.573 -21.811 40.229 1.00 4.70 C ATOM 238 O VAL A 16 -37.819 -20.856 40.399 1.00 4.70 O ATOM 239 CB VAL A 16 -40.553 -21.480 41.824 1.00 4.70 C ATOM 240 HB VAL A 16 -40.189 -20.469 41.997 1.00 4.70 H ATOM 241 CG1 VAL A 16 -41.614 -21.447 40.716 1.00 4.70 C ATOM 242 1HG1 VAL A 16 -42.439 -20.802 41.014 1.00 4.70 H ATOM 243 2HG1 VAL A 16 -41.996 -22.450 40.525 1.00 4.70 H ATOM 244 3HG1 VAL A 16 -41.187 -21.037 39.803 1.00 4.70 H ATOM 245 CG2 VAL A 16 -41.208 -21.989 43.128 1.00 4.70 C ATOM 246 1HG2 VAL A 16 -42.108 -21.421 43.347 1.00 4.70 H ATOM 247 2HG2 VAL A 16 -40.518 -21.862 43.962 1.00 4.70 H ATOM 248 3HG2 VAL A 16 -41.465 -23.046 43.035 1.00 4.70 H ATOM 249 N PRO A 17 -38.665 -22.419 39.032 1.00 22.51 N ATOM 250 CA PRO A 17 -37.558 -22.134 38.107 1.00 22.51 C ATOM 251 HA PRO A 17 -36.621 -22.286 38.631 1.00 22.51 H ATOM 252 C PRO A 17 -37.443 -20.782 37.397 1.00 22.51 C ATOM 253 O PRO A 17 -36.356 -20.462 36.937 1.00 22.51 O ATOM 254 CB PRO A 17 -37.701 -23.248 37.067 1.00 22.51 C ATOM 255 1HB PRO A 17 -37.336 -22.925 36.092 1.00 22.51 H ATOM 256 2HB PRO A 17 -37.167 -24.140 37.396 1.00 22.51 H ATOM 257 CG PRO A 17 -39.153 -23.526 37.036 1.00 22.51 C ATOM 258 1HG PRO A 17 -39.676 -22.752 36.475 1.00 22.51 H ATOM 259 2HG PRO A 17 -39.352 -24.509 36.611 1.00 22.51 H ATOM 260 CD PRO A 17 -39.536 -23.482 38.492 1.00 22.51 C ATOM 261 1HD PRO A 17 -40.589 -23.226 38.602 1.00 22.51 H ATOM 262 2HD PRO A 17 -39.314 -24.435 38.976 1.00 22.51 H ATOM 263 N ILE A 18 -38.513 -20.006 37.267 1.00 16.31 N ATOM 264 H ILE A 18 -39.381 -20.291 37.685 1.00 16.31 H ATOM 265 CA ILE A 18 -38.457 -18.777 36.453 1.00 16.31 C ATOM 266 HA ILE A 18 -37.433 -18.628 36.116 1.00 16.31 H ATOM 267 C ILE A 18 -38.861 -17.523 37.233 1.00 16.31 C ATOM 268 O ILE A 18 -38.181 -16.495 37.199 1.00 16.31 O ATOM 269 CB ILE A 18 -39.353 -18.901 35.167 1.00 16.31 C ATOM 270 HB ILE A 18 -40.398 -18.938 35.476 1.00 16.31 H ATOM 271 CG1 ILE A 18 -39.035 -20.200 34.392 1.00 16.31 C ATOM 272 1HG1 ILE A 18 -38.012 -20.143 34.021 1.00 16.31 H ATOM 273 2HG1 ILE A 18 -39.094 -21.046 35.068 1.00 16.31 H ATOM 274 CG2 ILE A 18 -39.149 -17.678 34.228 1.00 16.31 C ATOM 275 1HG2 ILE A 18 -39.871 -17.703 33.412 1.00 16.31 H ATOM 276 2HG2 ILE A 18 -38.140 -17.699 33.808 1.00 16.31 H ATOM 277 3HG2 ILE A 18 -39.280 -16.745 34.769 1.00 16.31 H ATOM 278 CD1 ILE A 18 -39.961 -20.518 33.207 1.00 16.31 C ATOM 279 1HD1 ILE A 18 -39.714 -21.506 32.817 1.00 16.31 H ATOM 280 2HD1 ILE A 18 -39.823 -19.787 32.410 1.00 16.31 H ATOM 281 3HD1 ILE A 18 -41.002 -20.514 33.533 1.00 16.31 H ATOM 282 N ARG A 19 -39.982 -17.591 37.939 1.00 -5.93 N ATOM 283 H ARG A 19 -40.494 -18.462 37.989 1.00 -5.93 H ATOM 284 CA ARG A 19 -40.533 -16.471 38.706 1.00 -5.93 C ATOM 285 HA ARG A 19 -39.751 -15.786 39.032 1.00 -5.93 H ATOM 286 C ARG A 19 -41.169 -17.163 39.888 1.00 -5.93 C ATOM 287 O ARG A 19 -41.500 -18.335 39.760 1.00 -5.93 O ATOM 288 CB ARG A 19 -41.637 -15.738 37.929 1.00 -5.93 C ATOM 289 1HB ARG A 19 -42.340 -16.482 37.555 1.00 -5.93 H ATOM 290 2HB ARG A 19 -42.170 -15.090 38.625 1.00 -5.93 H ATOM 291 CG ARG A 19 -41.156 -14.887 36.757 1.00 -5.93 C ATOM 292 1HG ARG A 19 -40.549 -14.064 37.135 1.00 -5.93 H ATOM 293 2HG ARG A 19 -40.545 -15.499 36.100 1.00 -5.93 H ATOM 294 CD ARG A 19 -42.322 -14.329 35.944 1.00 -5.93 C ATOM 295 1HD ARG A 19 -41.919 -13.825 35.063 1.00 -5.93 H ATOM 296 2HD ARG A 19 -42.945 -15.161 35.614 1.00 -5.93 H ATOM 297 NE ARG A 19 -43.152 -13.378 36.704 1.00 -5.93 N ATOM 298 HE ARG A 19 -42.866 -13.191 37.651 1.00 -5.93 H ATOM 299 CZ ARG A 19 -44.240 -12.758 36.263 1.00 -5.93 C ATOM 300 NH1 ARG A 19 -44.875 -11.953 37.070 1.00 -5.93 N ATOM 301 1HH1 ARG A 19 -44.550 -11.816 38.012 1.00 -5.93 H ATOM 302 2HH1 ARG A 19 -45.695 -11.465 36.752 1.00 -5.93 H ATOM 303 NH2 ARG A 19 -44.717 -12.904 35.052 1.00 -5.93 N ATOM 304 1HH2 ARG A 19 -44.244 -13.510 34.403 1.00 -5.93 H ATOM 305 2HH2 ARG A 19 -45.547 -12.414 34.769 1.00 -5.93 H ATOM 306 N CYS A 20 -41.369 -16.459 40.988 1.00 -7.14 N ATOM 307 H CYS A 20 -41.070 -15.504 41.047 1.00 -7.14 H ATOM 308 CA CYS A 20 -42.103 -17.030 42.109 1.00 -7.14 C ATOM 309 HA CYS A 20 -41.790 -18.064 42.234 1.00 -7.14 H ATOM 310 C CYS A 20 -43.603 -16.974 41.819 1.00 -7.14 C ATOM 311 O CYS A 20 -44.056 -16.059 41.120 1.00 -7.14 O ATOM 312 CB CYS A 20 -41.799 -16.252 43.392 1.00 -7.14 C ATOM 313 1HB CYS A 20 -42.082 -15.208 43.256 1.00 -7.14 H ATOM 314 2HB CYS A 20 -42.403 -16.664 44.202 1.00 -7.14 H ATOM 315 SG CYS A 20 -40.043 -16.354 43.858 1.00 -7.14 S ATOM 316 N PRO A 21 -44.384 -17.930 42.354 1.00 -7.03 N ATOM 317 CA PRO A 21 -45.845 -17.809 42.284 1.00 -7.03 C ATOM 318 HA PRO A 21 -46.180 -17.736 41.249 1.00 -7.03 H ATOM 319 C PRO A 21 -46.372 -16.635 43.103 1.00 -7.03 C ATOM 320 O PRO A 21 -45.648 -16.020 43.889 1.00 -7.03 O ATOM 321 CB PRO A 21 -46.331 -19.119 42.920 1.00 -7.03 C ATOM 322 1HB PRO A 21 -46.574 -18.953 43.971 1.00 -7.03 H ATOM 323 2HB PRO A 21 -47.195 -19.515 42.386 1.00 -7.03 H ATOM 324 CG PRO A 21 -45.178 -20.044 42.812 1.00 -7.03 C ATOM 325 1HG PRO A 21 -45.247 -20.848 43.545 1.00 -7.03 H ATOM 326 2HG PRO A 21 -45.111 -20.445 41.800 1.00 -7.03 H ATOM 327 CD PRO A 21 -44.016 -19.149 43.095 1.00 -7.03 C ATOM 328 1HD PRO A 21 -43.930 -18.939 44.160 1.00 -7.03 H ATOM 329 2HD PRO A 21 -43.099 -19.588 42.710 1.00 -7.03 H ATOM 330 N GLY A 22 -47.664 -16.366 42.972 1.00 8.81 N ATOM 331 H GLY A 22 -48.229 -16.899 42.332 1.00 8.81 H ATOM 332 CA GLY A 22 -48.294 -15.360 43.810 1.00 8.81 C ATOM 333 1HA GLY A 22 -47.779 -14.410 43.671 1.00 8.81 H ATOM 334 2HA GLY A 22 -49.341 -15.247 43.531 1.00 8.81 H ATOM 335 C GLY A 22 -48.201 -15.761 45.271 1.00 8.81 C ATOM 336 O GLY A 22 -48.133 -16.947 45.592 1.00 8.81 O ATOM 337 N SER A 23 -48.182 -14.760 46.145 1.00 32.44 N ATOM 338 H SER A 23 -48.288 -13.824 45.788 1.00 32.44 H ATOM 339 CA SER A 23 -47.976 -14.898 47.598 1.00 32.44 C ATOM 340 HA SER A 23 -47.949 -13.884 47.995 1.00 32.44 H ATOM 341 C SER A 23 -46.647 -15.533 48.024 1.00 32.44 C ATOM 342 O SER A 23 -46.499 -15.924 49.176 1.00 32.44 O ATOM 343 CB SER A 23 -49.159 -15.597 48.295 1.00 32.44 C ATOM 344 1HB SER A 23 -49.056 -15.476 49.375 1.00 32.44 H ATOM 345 2HB SER A 23 -50.085 -15.116 47.981 1.00 32.44 H ATOM 346 OG SER A 23 -49.233 -16.984 47.997 1.00 32.44 O ATOM 347 HG SER A 23 -48.921 -17.105 47.080 1.00 32.44 H ATOM 348 N MET A 24 -45.671 -15.605 47.128 1.00 14.14 N ATOM 349 H MET A 24 -45.816 -15.284 46.177 1.00 14.14 H ATOM 350 CA MET A 24 -44.341 -16.117 47.455 1.00 14.14 C ATOM 351 HA MET A 24 -44.235 -16.234 48.534 1.00 14.14 H ATOM 352 C MET A 24 -43.325 -15.096 46.967 1.00 14.14 C ATOM 353 O MET A 24 -43.604 -14.372 46.013 1.00 14.14 O ATOM 354 CB MET A 24 -44.108 -17.467 46.777 1.00 14.14 C ATOM 355 1HB MET A 24 -44.218 -17.345 45.701 1.00 14.14 H ATOM 356 2HB MET A 24 -43.091 -17.785 46.992 1.00 14.14 H ATOM 357 CG MET A 24 -45.073 -18.539 47.252 1.00 14.14 C ATOM 358 1HG MET A 24 -44.981 -18.619 48.332 1.00 14.14 H ATOM 359 2HG MET A 24 -46.090 -18.220 47.021 1.00 14.14 H ATOM 360 SD MET A 24 -44.817 -20.170 46.526 1.00 14.14 S ATOM 361 CE MET A 24 -43.258 -20.689 47.227 1.00 14.14 C ATOM 362 1HE MET A 24 -42.993 -21.666 46.825 1.00 14.14 H ATOM 363 2HE MET A 24 -43.333 -20.752 48.311 1.00 14.14 H ATOM 364 3HE MET A 24 -42.478 -19.979 46.967 1.00 14.14 H ATOM 365 N ARG A 25 -42.170 -14.994 47.616 1.00-13.96 N ATOM 366 H ARG A 25 -41.973 -15.632 48.385 1.00-13.96 H ATOM 367 CA ARG A 25 -41.185 -13.957 47.262 1.00-13.96 C ATOM 368 HA ARG A 25 -41.474 -13.510 46.312 1.00-13.96 H ATOM 369 C ARG A 25 -39.768 -14.474 47.101 1.00-13.96 C ATOM 370 O ARG A 25 -39.318 -15.316 47.871 1.00-13.96 O ATOM 371 CB ARG A 25 -41.170 -12.853 48.323 1.00-13.96 C ATOM 372 1HB ARG A 25 -40.970 -13.309 49.292 1.00-13.96 H ATOM 373 2HB ARG A 25 -40.355 -12.166 48.094 1.00-13.96 H ATOM 374 CG ARG A 25 -42.463 -12.045 48.408 1.00-13.96 C ATOM 375 1HG ARG A 25 -42.659 -11.577 47.443 1.00-13.96 H ATOM 376 2HG ARG A 25 -43.292 -12.709 48.653 1.00-13.96 H ATOM 377 CD ARG A 25 -42.360 -10.965 49.480 1.00-13.96 C ATOM 378 1HD ARG A 25 -41.378 -11.016 49.953 1.00-13.96 H ATOM 379 2HD ARG A 25 -42.464 -9.987 49.007 1.00-13.96 H ATOM 380 NE ARG A 25 -43.406 -11.121 50.501 1.00-13.96 N ATOM 381 HE ARG A 25 -44.228 -10.553 50.393 1.00-13.96 H ATOM 382 CZ ARG A 25 -43.374 -11.945 51.542 1.00-13.96 C ATOM 383 NH1 ARG A 25 -44.390 -11.978 52.351 1.00-13.96 N ATOM 384 1HH1 ARG A 25 -45.185 -11.387 52.225 1.00-13.96 H ATOM 385 2HH1 ARG A 25 -44.356 -12.646 53.129 1.00-13.96 H ATOM 386 NH2 ARG A 25 -42.379 -12.749 51.806 1.00-13.96 N ATOM 387 1HH2 ARG A 25 -41.564 -12.758 51.234 1.00-13.96 H ATOM 388 2HH2 ARG A 25 -42.464 -13.400 52.593 1.00-13.96 H ATOM 389 N GLN A 26 -39.071 -13.933 46.114 1.00-10.76 N ATOM 390 H GLN A 26 -39.504 -13.232 45.539 1.00-10.76 H ATOM 391 CA GLN A 26 -37.683 -14.292 45.828 1.00-10.76 C ATOM 392 HA GLN A 26 -37.606 -15.371 45.697 1.00-10.76 H ATOM 393 C GLN A 26 -36.782 -13.855 46.980 1.00-10.76 C ATOM 394 O GLN A 26 -36.634 -12.665 47.230 1.00-10.76 O ATOM 395 CB GLN A 26 -37.232 -13.581 44.542 1.00-10.76 C ATOM 396 1HB GLN A 26 -37.901 -13.862 43.729 1.00-10.76 H ATOM 397 2HB GLN A 26 -37.334 -12.508 44.702 1.00-10.76 H ATOM 398 CG GLN A 26 -35.787 -13.858 44.106 1.00-10.76 C ATOM 399 1HG GLN A 26 -35.130 -13.774 44.969 1.00-10.76 H ATOM 400 2HG GLN A 26 -35.715 -14.870 43.712 1.00-10.76 H ATOM 401 CD GLN A 26 -35.301 -12.867 43.063 1.00-10.76 C ATOM 402 OE1 GLN A 26 -35.293 -13.137 41.867 1.00-10.76 O ATOM 403 NE2 GLN A 26 -34.881 -11.712 43.507 1.00-10.76 N ATOM 404 1HE2 GLN A 26 -34.537 -11.037 42.847 1.00-10.76 H ATOM 405 2HE2 GLN A 26 -34.917 -11.502 44.492 1.00-10.76 H ATOM 406 N ILE A 27 -36.140 -14.810 47.638 1.00 3.59 N ATOM 407 H ILE A 27 -36.344 -15.785 47.417 1.00 3.59 H ATOM 408 CA ILE A 27 -35.157 -14.519 48.687 1.00 3.59 C ATOM 409 HA ILE A 27 -35.111 -13.442 48.844 1.00 3.59 H ATOM 410 C ILE A 27 -33.763 -14.963 48.245 1.00 3.59 C ATOM 411 O ILE A 27 -32.784 -14.892 48.998 1.00 3.59 O ATOM 412 CB ILE A 27 -35.558 -15.166 50.039 1.00 3.59 C ATOM 413 HB ILE A 27 -34.778 -14.935 50.766 1.00 3.59 H ATOM 414 CG1 ILE A 27 -35.666 -16.695 49.903 1.00 3.59 C ATOM 415 1HG1 ILE A 27 -36.580 -16.940 49.361 1.00 3.59 H ATOM 416 2HG1 ILE A 27 -34.821 -17.060 49.321 1.00 3.59 H ATOM 417 CG2 ILE A 27 -36.884 -14.547 50.548 1.00 3.59 C ATOM 418 1HG2 ILE A 27 -37.091 -14.883 51.563 1.00 3.59 H ATOM 419 2HG2 ILE A 27 -37.714 -14.833 49.900 1.00 3.59 H ATOM 420 3HG2 ILE A 27 -36.806 -13.458 50.555 1.00 3.59 H ATOM 421 CD1 ILE A 27 -35.668 -17.445 51.222 1.00 3.59 C ATOM 422 1HD1 ILE A 27 -35.763 -18.514 51.033 1.00 3.59 H ATOM 423 2HD1 ILE A 27 -36.498 -17.125 51.843 1.00 3.59 H ATOM 424 3HD1 ILE A 27 -34.735 -17.256 51.751 1.00 3.59 H ATOM 425 N GLY A 28 -33.663 -15.415 47.005 1.00 -4.67 N ATOM 426 H GLY A 28 -34.482 -15.482 46.416 1.00 -4.67 H ATOM 427 CA GLY A 28 -32.390 -15.845 46.457 1.00 -4.67 C ATOM 428 1HA GLY A 28 -31.811 -14.979 46.142 1.00 -4.67 H ATOM 429 2HA GLY A 28 -31.837 -16.378 47.222 1.00 -4.67 H ATOM 430 C GLY A 28 -32.589 -16.769 45.281 1.00 -4.67 C ATOM 431 O GLY A 28 -33.646 -16.733 44.652 1.00 -4.67 O ATOM 432 N THR A 29 -31.598 -17.602 45.005 1.00 15.69 N ATOM 433 H THR A 29 -30.764 -17.595 45.592 1.00 15.69 H ATOM 434 CA THR A 29 -31.645 -18.586 43.925 1.00 15.69 C ATOM 435 HA THR A 29 -32.659 -18.670 43.542 1.00 15.69 H ATOM 436 C THR A 29 -31.223 -19.954 44.451 1.00 15.69 C ATOM 437 O THR A 29 -30.529 -20.056 45.465 1.00 15.69 O ATOM 438 CB THR A 29 -30.708 -18.197 42.761 1.00 15.69 C ATOM 439 HB THR A 29 -30.621 -19.033 42.066 1.00 15.69 H ATOM 440 OG1 THR A 29 -29.423 -17.859 43.286 1.00 15.69 O ATOM 441 HG1 THR A 29 -29.527 -17.052 43.797 1.00 15.69 H ATOM 442 CG2 THR A 29 -31.217 -16.980 42.007 1.00 15.69 C ATOM 443 1HG2 THR A 29 -30.524 -16.746 41.199 1.00 15.69 H ATOM 444 2HG2 THR A 29 -31.302 -16.122 42.672 1.00 15.69 H ATOM 445 3HG2 THR A 29 -32.194 -17.205 41.577 1.00 15.69 H ATOM 446 N CYS A 30 -31.632 -21.008 43.762 1.00 25.58 N ATOM 447 H CYS A 30 -32.168 -20.858 42.906 1.00 25.58 H ATOM 448 CA CYS A 30 -31.353 -22.382 44.179 1.00 25.58 C ATOM 449 HA CYS A 30 -31.083 -22.384 45.234 1.00 25.58 H ATOM 450 C CYS A 30 -30.194 -23.004 43.406 1.00 25.58 C ATOM 451 O CYS A 30 -30.352 -24.057 42.795 1.00 25.58 O ATOM 452 CB CYS A 30 -32.594 -23.255 44.014 1.00 25.58 C ATOM 453 1HB CYS A 30 -32.960 -23.172 42.993 1.00 25.58 H ATOM 454 2HB CYS A 30 -32.310 -24.290 44.188 1.00 25.58 H ATOM 455 SG CYS A 30 -33.923 -22.847 45.181 1.00 25.58 S ATOM 456 N LEU A 31 -29.045 -22.341 43.461 1.00 43.41 N ATOM 457 H LEU A 31 -29.031 -21.483 43.998 1.00 43.41 H ATOM 458 CA LEU A 31 -27.773 -22.728 42.823 1.00 43.41 C ATOM 459 HA LEU A 31 -27.039 -22.009 43.176 1.00 43.41 H ATOM 460 C LEU A 31 -27.730 -22.634 41.300 1.00 43.41 C ATOM 461 O LEU A 31 -26.778 -22.079 40.747 1.00 43.41 O ATOM 462 CB LEU A 31 -27.294 -24.118 43.281 1.00 43.41 C ATOM 463 1HB LEU A 31 -27.498 -24.219 44.341 1.00 43.41 H ATOM 464 2HB LEU A 31 -27.894 -24.863 42.761 1.00 43.41 H ATOM 465 CG LEU A 31 -25.818 -24.481 43.058 1.00 43.41 C ATOM 466 HG LEU A 31 -25.575 -24.334 42.007 1.00 43.41 H ATOM 467 CD1 LEU A 31 -24.868 -23.631 43.906 1.00 43.41 C ATOM 468 1HD1 LEU A 31 -23.837 -23.929 43.706 1.00 43.41 H ATOM 469 2HD1 LEU A 31 -25.080 -23.765 44.965 1.00 43.41 H ATOM 470 3HD1 LEU A 31 -24.977 -22.580 43.651 1.00 43.41 H ATOM 471 CD2 LEU A 31 -25.610 -25.955 43.397 1.00 43.41 C ATOM 472 1HD2 LEU A 31 -24.572 -26.231 43.200 1.00 43.41 H ATOM 473 2HD2 LEU A 31 -26.250 -26.574 42.767 1.00 43.41 H ATOM 474 3HD2 LEU A 31 -25.836 -26.146 44.446 1.00 43.41 H ATOM 475 N GLY A 32 -28.763 -23.115 40.629 1.00 24.40 N ATOM 476 H GLY A 32 -29.523 -23.556 41.137 1.00 24.40 H ATOM 477 CA GLY A 32 -28.841 -23.003 39.184 1.00 24.40 C ATOM 478 1HA GLY A 32 -27.913 -23.370 38.746 1.00 24.40 H ATOM 479 2HA GLY A 32 -29.667 -23.614 38.820 1.00 24.40 H ATOM 480 C GLY A 32 -29.062 -21.570 38.740 1.00 24.40 C ATOM 481 O GLY A 32 -29.437 -20.700 39.532 1.00 24.40 O ATOM 482 N ALA A 33 -28.839 -21.321 37.458 1.00 -6.45 N ATOM 483 H ALA A 33 -28.524 -22.059 36.852 1.00 -6.45 H ATOM 484 CA ALA A 33 -29.125 -20.017 36.878 1.00 -6.45 C ATOM 485 HA ALA A 33 -28.710 -19.232 37.512 1.00 -6.45 H ATOM 486 C ALA A 33 -30.651 -19.902 36.841 1.00 -6.45 C ATOM 487 O ALA A 33 -31.326 -20.907 36.645 1.00 -6.45 O ATOM 488 CB ALA A 33 -28.529 -19.923 35.468 1.00 -6.45 C ATOM 489 1HB ALA A 33 -27.447 -20.054 35.513 1.00 -6.45 H ATOM 490 2HB ALA A 33 -28.751 -18.946 35.037 1.00 -6.45 H ATOM 491 3HB ALA A 33 -28.962 -20.697 34.830 1.00 -6.45 H ATOM 492 N GLN A 34 -31.151 -18.685 37.018 1.00 24.00 N ATOM 493 H GLN A 34 -30.495 -17.937 37.161 1.00 24.00 H ATOM 494 CA GLN A 34 -32.580 -18.324 37.041 1.00 24.00 C ATOM 495 HA GLN A 34 -32.602 -17.253 37.232 1.00 24.00 H ATOM 496 C GLN A 34 -33.479 -18.939 38.127 1.00 24.00 C ATOM 497 O GLN A 34 -34.344 -18.226 38.631 1.00 24.00 O ATOM 498 CB GLN A 34 -33.210 -18.519 35.650 1.00 24.00 C ATOM 499 1HB GLN A 34 -32.489 -18.190 34.902 1.00 24.00 H ATOM 500 2HB GLN A 34 -33.406 -19.580 35.494 1.00 24.00 H ATOM 501 CG GLN A 34 -34.509 -17.739 35.428 1.00 24.00 C ATOM 502 1HG GLN A 34 -35.257 -18.076 36.142 1.00 24.00 H ATOM 503 2HG GLN A 34 -34.315 -16.682 35.599 1.00 24.00 H ATOM 504 CD GLN A 34 -35.064 -17.910 34.031 1.00 24.00 C ATOM 505 OE1 GLN A 34 -35.654 -18.916 33.694 1.00 24.00 O ATOM 506 NE2 GLN A 34 -34.887 -16.912 33.204 1.00 24.00 N ATOM 507 1HE2 GLN A 34 -35.240 -17.013 32.266 1.00 24.00 H ATOM 508 2HE2 GLN A 34 -34.405 -16.084 33.498 1.00 24.00 H ATOM 509 N VAL A 35 -33.264 -20.188 38.520 1.00 29.29 N ATOM 510 H VAL A 35 -32.504 -20.705 38.089 1.00 29.29 H ATOM 511 CA VAL A 35 -34.113 -20.879 39.497 1.00 29.29 C ATOM 512 HA VAL A 35 -35.118 -20.895 39.087 1.00 29.29 H ATOM 513 C VAL A 35 -34.176 -20.133 40.820 1.00 29.29 C ATOM 514 O VAL A 35 -33.178 -19.967 41.522 1.00 29.29 O ATOM 515 CB VAL A 35 -33.650 -22.346 39.740 1.00 29.29 C ATOM 516 HB VAL A 35 -32.655 -22.328 40.186 1.00 29.29 H ATOM 517 CG1 VAL A 35 -34.604 -23.089 40.699 1.00 29.29 C ATOM 518 1HG1 VAL A 35 -34.228 -24.097 40.878 1.00 29.29 H ATOM 519 2HG1 VAL A 35 -35.602 -23.155 40.269 1.00 29.29 H ATOM 520 3HG1 VAL A 35 -34.665 -22.567 41.653 1.00 29.29 H ATOM 521 CG2 VAL A 35 -33.562 -23.119 38.413 1.00 29.29 C ATOM 522 1HG2 VAL A 35 -33.332 -24.167 38.606 1.00 29.29 H ATOM 523 2HG2 VAL A 35 -32.770 -22.710 37.789 1.00 29.29 H ATOM 524 3HG2 VAL A 35 -34.507 -23.053 37.872 1.00 29.29 H ATOM 525 N LYS A 36 -35.366 -19.653 41.139 1.00-11.94 N ATOM 526 H LYS A 36 -36.165 -19.909 40.562 1.00-11.94 H ATOM 527 CA LYS A 36 -35.601 -18.756 42.262 1.00-11.94 C ATOM 528 HA LYS A 36 -34.757 -18.077 42.377 1.00-11.94 H ATOM 529 C LYS A 36 -35.797 -19.557 43.526 1.00-11.94 C ATOM 530 O LYS A 36 -36.479 -20.570 43.502 1.00-11.94 O ATOM 531 CB LYS A 36 -36.898 -17.975 42.013 1.00-11.94 C ATOM 532 1HB LYS A 36 -37.723 -18.686 42.028 1.00-11.94 H ATOM 533 2HB LYS A 36 -37.042 -17.271 42.833 1.00-11.94 H ATOM 534 CG LYS A 36 -36.984 -17.221 40.692 1.00-11.94 C ATOM 535 1HG LYS A 36 -36.869 -17.916 39.860 1.00-11.94 H ATOM 536 2HG LYS A 36 -37.968 -16.758 40.618 1.00-11.94 H ATOM 537 CD LYS A 36 -35.930 -16.142 40.595 1.00-11.94 C ATOM 538 1HD LYS A 36 -36.058 -15.459 41.428 1.00-11.94 H ATOM 539 2HD LYS A 36 -34.939 -16.591 40.647 1.00-11.94 H ATOM 540 CE LYS A 36 -36.047 -15.384 39.291 1.00-11.94 C ATOM 541 1HE LYS A 36 -35.939 -16.085 38.458 1.00-11.94 H ATOM 542 2HE LYS A 36 -37.029 -14.912 39.232 1.00-11.94 H ATOM 543 NZ LYS A 36 -34.977 -14.347 39.224 1.00-11.94 N ATOM 544 1HZ LYS A 36 -35.080 -13.798 38.383 1.00-11.94 H ATOM 545 2HZ LYS A 36 -34.073 -14.796 39.228 1.00-11.94 H ATOM 546 3HZ LYS A 36 -35.047 -13.739 40.038 1.00-11.94 H ATOM 547 N CYS A 37 -35.283 -19.061 44.635 1.00-25.34 N ATOM 548 H CYS A 37 -34.695 -18.236 44.591 1.00-25.34 H ATOM 549 CA CYS A 37 -35.671 -19.567 45.941 1.00-25.34 C ATOM 550 HA CYS A 37 -36.025 -20.596 45.866 1.00-25.34 H ATOM 551 C CYS A 37 -36.811 -18.659 46.378 1.00-25.34 C ATOM 552 O CYS A 37 -36.596 -17.459 46.586 1.00-25.34 O ATOM 553 CB CYS A 37 -34.523 -19.480 46.945 1.00-25.34 C ATOM 554 1HB CYS A 37 -33.691 -20.093 46.600 1.00-25.34 H ATOM 555 2HB CYS A 37 -34.196 -18.444 47.020 1.00-25.34 H ATOM 556 SG CYS A 37 -35.051 -20.041 48.592 1.00-25.34 S ATOM 557 N CYS A 38 -38.014 -19.204 46.468 1.00-19.48 N ATOM 558 H CYS A 38 -38.136 -20.198 46.275 1.00-19.48 H ATOM 559 CA CYS A 38 -39.204 -18.428 46.792 1.00-19.48 C ATOM 560 HA CYS A 38 -38.969 -17.369 46.756 1.00-19.48 H ATOM 561 C CYS A 38 -39.726 -18.784 48.178 1.00-19.48 C ATOM 562 O CYS A 38 -40.196 -19.901 48.386 1.00-19.48 O ATOM 563 CB CYS A 38 -40.276 -18.728 45.750 1.00-19.48 C ATOM 564 1HB CYS A 38 -40.520 -19.790 45.801 1.00-19.48 H ATOM 565 2HB CYS A 38 -41.171 -18.151 45.977 1.00-19.48 H ATOM 566 SG CYS A 38 -39.726 -18.349 44.062 1.00-19.48 S ATOM 567 N ARG A 39 -39.640 -17.868 49.132 1.00 -3.24 N ATOM 568 H ARG A 39 -39.277 -16.944 48.907 1.00 -3.24 H ATOM 569 CA ARG A 39 -40.135 -18.143 50.485 1.00 -3.24 C ATOM 570 HA ARG A 39 -39.795 -19.122 50.795 1.00 -3.24 H ATOM 571 C ARG A 39 -41.653 -18.155 50.429 1.00 -3.24 C ATOM 572 O ARG A 39 -42.249 -17.334 49.730 1.00 -3.24 O ATOM 573 CB ARG A 39 -39.624 -17.120 51.500 1.00 -3.24 C ATOM 574 1HB ARG A 39 -38.566 -16.967 51.323 1.00 -3.24 H ATOM 575 2HB ARG A 39 -40.141 -16.173 51.344 1.00 -3.24 H ATOM 576 CG ARG A 39 -39.811 -17.572 52.953 1.00 -3.24 C ATOM 577 1HG ARG A 39 -40.874 -17.696 53.144 1.00 -3.24 H ATOM 578 2HG ARG A 39 -39.319 -18.530 53.108 1.00 -3.24 H ATOM 579 CD ARG A 39 -39.263 -16.562 53.948 1.00 -3.24 C ATOM 580 1HD ARG A 39 -39.410 -15.559 53.547 1.00 -3.24 H ATOM 581 2HD ARG A 39 -39.828 -16.649 54.877 1.00 -3.24 H ATOM 582 NE ARG A 39 -37.842 -16.798 54.245 1.00 -3.24 N ATOM 583 HE ARG A 39 -37.487 -17.723 54.019 1.00 -3.24 H ATOM 584 CZ ARG A 39 -37.006 -15.951 54.829 1.00 -3.24 C ATOM 585 NH1 ARG A 39 -35.781 -16.332 55.059 1.00 -3.24 N ATOM 586 1HH1 ARG A 39 -35.477 -17.257 54.805 1.00 -3.24 H ATOM 587 2HH1 ARG A 39 -35.124 -15.710 55.495 1.00 -3.24 H ATOM 588 NH2 ARG A 39 -37.347 -14.744 55.202 1.00 -3.24 N ATOM 589 1HH2 ARG A 39 -38.292 -14.432 55.051 1.00 -3.24 H ATOM 590 2HH2 ARG A 39 -36.677 -14.139 55.641 1.00 -3.24 H ATOM 591 N ARG A 40 -42.266 -19.093 51.142 1.00 11.76 N ATOM 592 H ARG A 40 -41.704 -19.739 51.687 1.00 11.76 H ATOM 593 CA ARG A 40 -43.725 -19.248 51.140 1.00 11.76 C ATOM 594 HA ARG A 40 -44.061 -19.105 50.117 1.00 11.76 H ATOM 595 C ARG A 40 -44.459 -18.203 51.987 1.00 11.76 C ATOM 596 O ARG A 40 -45.680 -18.112 51.924 1.00 11.76 O ATOM 597 CB ARG A 40 -44.069 -20.686 51.590 1.00 11.76 C ATOM 598 1HB ARG A 40 -43.421 -21.368 51.038 1.00 11.76 H ATOM 599 2HB ARG A 40 -43.823 -20.780 52.648 1.00 11.76 H ATOM 600 CG ARG A 40 -45.528 -21.163 51.391 1.00 11.76 C ATOM 601 1HG ARG A 40 -45.649 -22.152 51.833 1.00 11.76 H ATOM 602 2HG ARG A 40 -46.202 -20.484 51.907 1.00 11.76 H ATOM 603 CD ARG A 40 -45.919 -21.225 49.917 1.00 11.76 C ATOM 604 1HD ARG A 40 -45.409 -20.429 49.385 1.00 11.76 H ATOM 605 2HD ARG A 40 -45.572 -22.172 49.502 1.00 11.76 H ATOM 606 NE ARG A 40 -47.360 -21.073 49.654 1.00 11.76 N ATOM 607 HE ARG A 40 -47.886 -21.923 49.544 1.00 11.76 H ATOM 608 CZ ARG A 40 -48.000 -19.924 49.459 1.00 11.76 C ATOM 609 NH1 ARG A 40 -49.181 -19.946 48.911 1.00 11.76 N ATOM 610 1HH1 ARG A 40 -49.612 -20.813 48.652 1.00 11.76 H ATOM 611 2HH1 ARG A 40 -49.651 -19.069 48.732 1.00 11.76 H ATOM 612 NH2 ARG A 40 -47.530 -18.749 49.776 1.00 11.76 N ATOM 613 1HH2 ARG A 40 -46.700 -18.654 50.349 1.00 11.76 H ATOM 614 2HH2 ARG A 40 -47.997 -17.908 49.468 1.00 11.76 H ATOM 615 N LYS A 41 -43.737 -17.427 52.779 1.00-12.65 N ATOM 616 H LYS A 41 -42.730 -17.462 52.745 1.00-12.65 H ATOM 617 CA LYS A 41 -44.316 -16.413 53.661 1.00-12.65 C ATOM 618 HA LYS A 41 -45.286 -16.081 53.290 1.00-12.65 H ATOM 619 C LYS A 41 -43.355 -15.252 53.606 1.00-12.65 C ATOM 620 O LYS A 41 -42.237 -15.492 53.112 1.00-12.65 O ATOM 621 OXT LYS A 41 -43.702 -14.133 54.012 1.00-12.65 O ATOM 622 CB LYS A 41 -44.444 -16.900 55.107 1.00-12.65 C ATOM 623 1HB LYS A 41 -43.480 -17.284 55.440 1.00-12.65 H ATOM 624 2HB LYS A 41 -44.701 -16.038 55.723 1.00-12.65 H ATOM 625 CG LYS A 41 -45.513 -17.960 55.312 1.00-12.65 C ATOM 626 1HG LYS A 41 -46.453 -17.596 54.898 1.00-12.65 H ATOM 627 2HG LYS A 41 -45.226 -18.877 54.797 1.00-12.65 H ATOM 628 CD LYS A 41 -45.708 -18.245 56.792 1.00-12.65 C ATOM 629 1HD LYS A 41 -44.770 -18.608 57.214 1.00-12.65 H ATOM 630 2HD LYS A 41 -45.991 -17.318 57.293 1.00-12.65 H ATOM 631 CE LYS A 41 -46.804 -19.281 57.001 1.00-12.65 C ATOM 632 1HE LYS A 41 -47.718 -18.927 56.520 1.00-12.65 H ATOM 633 2HE LYS A 41 -46.501 -20.219 56.528 1.00-12.65 H ATOM 634 NZ LYS A 41 -47.068 -19.512 58.463 1.00-12.65 N ATOM 635 1HZ LYS A 41 -47.801 -20.201 58.576 1.00-12.65 H ATOM 636 2HZ LYS A 41 -47.359 -18.646 58.898 1.00-12.65 H ATOM 637 3HZ LYS A 41 -46.228 -19.843 58.916 1.00-12.65 H TER 638 LYS A 41 CONECT 112 109 556 CONECT 232 229 455 CONECT 315 312 566 CONECT 455 232 452 CONECT 556 112 553 CONECT 566 315 563 END
SEQUENCE	GVRNSQSCRRNKGICVPIRCPGSMRQIGTCLGAQVKCCRRK
HELICITY	24.40	INSTAB. INDEX	77.15	FLEXIBILITY	13.56
a HYD. MOM.	51.01	b HYD. MOM.	22.44	c HYD. MOM	4.20
a MEAN HYD. MOM.	1.24	b MEAN HYD. MOM.	0.55	c MEAN HYD. MOM.	0.10
CHARGE pH5	10.00	CHARGE pH7	9.73	CHARGE pH9	4.79
Δ CHARGE pH5-pH9	5.21	ISOELECTRIC POINT	10.85	BOMAN INDEX	2.82
ΔG	26	CPP	0,21	MLP	-17,27
MOLECULAR VOLUME		POLARITY
MIC E. coli	32	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER	Prototheca spp.=10;Prototheca wickerhamii ATCC 16529= 4
MIC OTHER gram+	Staphylococcus epidermidis=32
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Mammalia	ORDER	Artiodactyla
FAMILY	Bovidae	GENUS	Bos	SPECIES	Bos taurus
DATE	2011
TITLE PAPER	Comparative activity and mechanism of action of three types of bovine antimicrobial peptides against pathogenic Prototheca spp.