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ID	2185	NAME	Rugosin-C   Blast NCBI-PROT
LENGTH	37	DISULFIDE BRIDGE	1		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\GILDSFKQFAKGVGKDLIKGAAQGVLSTMSCKLAKTC.pdb REMARK YASARA Written on: Wed May 14 17:14:21 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 552 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: GAEGURIN-4; COMPND 3 CHAIN: A; SEQRES 1 A 37 GLY ILE LEU ASP SER PHE LYS GLN PHE ALA LYS GLY VAL SEQRES 2 A 37 GLY LYS ASP LEU ILE LYS GLY ALA ALA GLN GLY VAL LEU SEQRES 3 A 37 SER THR MET SER CYS LYS LEU ALA LYS THR CYS CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 SSBOND 1 CYS A 31 CYS A 37 2.03 ATOM 1 N GLY A 1 28.626 56.106 -23.598 1.00-36.69 N ATOM 2 1H GLY A 1 29.187 56.105 -22.759 1.00-36.69 H ATOM 3 2H GLY A 1 28.841 55.281 -24.142 1.00-36.69 H ATOM 4 3H GLY A 1 27.646 56.097 -23.354 1.00-36.69 H ATOM 5 CA GLY A 1 28.929 57.316 -24.404 1.00-36.69 C ATOM 6 1HA GLY A 1 28.754 58.203 -23.799 1.00-36.69 H ATOM 7 2HA GLY A 1 29.974 57.281 -24.710 1.00-36.69 H ATOM 8 C GLY A 1 28.056 57.373 -25.631 1.00-36.69 C ATOM 9 O GLY A 1 27.311 56.436 -25.844 1.00-36.69 O ATOM 10 N ILE A 2 28.121 58.424 -26.442 1.00-34.19 N ATOM 11 H ILE A 2 28.773 59.173 -26.259 1.00-34.19 H ATOM 12 CA ILE A 2 27.218 58.568 -27.597 1.00-34.19 C ATOM 13 HA ILE A 2 26.188 58.496 -27.244 1.00-34.19 H ATOM 14 C ILE A 2 27.437 57.447 -28.617 1.00-34.19 C ATOM 15 O ILE A 2 26.493 56.863 -29.142 1.00-34.19 O ATOM 16 CB ILE A 2 27.410 59.962 -28.287 1.00-34.19 C ATOM 17 HB ILE A 2 28.440 60.033 -28.639 1.00-34.19 H ATOM 18 CG1 ILE A 2 27.164 61.096 -27.266 1.00-34.19 C ATOM 19 1HG1 ILE A 2 26.110 61.084 -26.984 1.00-34.19 H ATOM 20 2HG1 ILE A 2 27.750 60.909 -26.369 1.00-34.19 H ATOM 21 CG2 ILE A 2 26.461 60.120 -29.505 1.00-34.19 C ATOM 22 1HG2 ILE A 2 26.630 61.077 -30.001 1.00-34.19 H ATOM 23 2HG2 ILE A 2 25.418 60.064 -29.185 1.00-34.19 H ATOM 24 3HG2 ILE A 2 26.644 59.334 -30.240 1.00-34.19 H ATOM 25 CD1 ILE A 2 27.522 62.512 -27.744 1.00-34.19 C ATOM 26 1HD1 ILE A 2 27.413 63.211 -26.914 1.00-34.19 H ATOM 27 2HD1 ILE A 2 26.853 62.823 -28.548 1.00-34.19 H ATOM 28 3HD1 ILE A 2 28.553 62.539 -28.098 1.00-34.19 H ATOM 29 N LEU A 3 28.691 57.082 -28.846 1.00-23.20 N ATOM 30 H LEU A 3 29.446 57.557 -28.383 1.00-23.20 H ATOM 31 CA LEU A 3 28.999 56.002 -29.783 1.00-23.20 C ATOM 32 HA LEU A 3 28.515 56.208 -30.739 1.00-23.20 H ATOM 33 C LEU A 3 28.471 54.671 -29.268 1.00-23.20 C ATOM 34 O LEU A 3 28.117 53.788 -30.032 1.00-23.20 O ATOM 35 CB LEU A 3 30.513 55.890 -29.992 1.00-23.20 C ATOM 36 1HB LEU A 3 30.965 55.648 -29.030 1.00-23.20 H ATOM 37 2HB LEU A 3 30.693 55.048 -30.662 1.00-23.20 H ATOM 38 CG LEU A 3 31.248 57.112 -30.565 1.00-23.20 C ATOM 39 HG LEU A 3 31.059 57.968 -29.917 1.00-23.20 H ATOM 40 CD1 LEU A 3 32.749 56.844 -30.568 1.00-23.20 C ATOM 41 1HD1 LEU A 3 33.278 57.728 -30.931 1.00-23.20 H ATOM 42 2HD1 LEU A 3 32.984 56.000 -31.219 1.00-23.20 H ATOM 43 3HD1 LEU A 3 33.094 56.629 -29.556 1.00-23.20 H ATOM 44 CD2 LEU A 3 30.787 57.469 -31.977 1.00-23.20 C ATOM 45 1HD2 LEU A 3 31.364 58.317 -32.349 1.00-23.20 H ATOM 46 2HD2 LEU A 3 29.734 57.748 -31.970 1.00-23.20 H ATOM 47 3HD2 LEU A 3 30.931 56.620 -32.648 1.00-23.20 H ATOM 48 N ASP A 4 28.387 54.526 -27.958 1.00 -5.60 N ATOM 49 H ASP A 4 28.669 55.276 -27.348 1.00 -5.60 H ATOM 50 CA ASP A 4 27.900 53.287 -27.365 1.00 -5.60 C ATOM 51 HA ASP A 4 28.333 52.457 -27.909 1.00 -5.60 H ATOM 52 C ASP A 4 26.389 53.209 -27.473 1.00 -5.60 C ATOM 53 O ASP A 4 25.833 52.131 -27.629 1.00 -5.60 O ATOM 54 CB ASP A 4 28.345 53.192 -25.914 1.00 -5.60 C ATOM 55 1HB ASP A 4 27.856 53.979 -25.346 1.00 -5.60 H ATOM 56 2HB ASP A 4 28.046 52.228 -25.500 1.00 -5.60 H ATOM 57 CG ASP A 4 29.833 53.369 -25.781 1.00 -5.60 C ATOM 58 OD1 ASP A 4 30.604 52.545 -26.319 1.00 -5.60 O ATOM 59 OD2 ASP A 4 30.231 54.422 -25.232 1.00 -5.60 O ATOM 60 N SER A 5 25.727 54.355 -27.495 1.00-11.16 N ATOM 61 H SER A 5 26.209 55.231 -27.331 1.00-11.16 H ATOM 62 CA SER A 5 24.296 54.392 -27.772 1.00-11.16 C ATOM 63 HA SER A 5 23.801 53.651 -27.151 1.00-11.16 H ATOM 64 C SER A 5 24.036 54.032 -29.229 1.00-11.16 C ATOM 65 O SER A 5 23.058 53.361 -29.541 1.00-11.16 O ATOM 66 CB SER A 5 23.729 55.766 -27.431 1.00-11.16 C ATOM 67 1HB SER A 5 24.173 56.518 -28.082 1.00-11.16 H ATOM 68 2HB SER A 5 22.648 55.758 -27.571 1.00-11.16 H ATOM 69 OG SER A 5 24.041 56.069 -26.081 1.00-11.16 O ATOM 70 HG SER A 5 23.757 55.325 -25.535 1.00-11.16 H ATOM 71 N PHE A 6 24.956 54.362 -30.123 1.00-20.77 N ATOM 72 H PHE A 6 25.735 54.958 -29.861 1.00-20.77 H ATOM 73 CA PHE A 6 24.854 53.853 -31.489 1.00-20.77 C ATOM 74 HA PHE A 6 23.838 54.030 -31.842 1.00-20.77 H ATOM 75 C PHE A 6 25.097 52.342 -31.539 1.00-20.77 C ATOM 76 O PHE A 6 24.435 51.631 -32.283 1.00-20.77 O ATOM 77 CB PHE A 6 25.803 54.573 -32.446 1.00-20.77 C ATOM 78 1HB PHE A 6 25.638 55.647 -32.355 1.00-20.77 H ATOM 79 2HB PHE A 6 26.832 54.355 -32.169 1.00-20.77 H ATOM 80 CG PHE A 6 25.593 54.175 -33.880 1.00-20.77 C ATOM 81 CD1 PHE A 6 24.523 54.716 -34.615 1.00-20.77 C ATOM 82 HD1 PHE A 6 23.877 55.454 -34.162 1.00-20.77 H ATOM 83 CD2 PHE A 6 26.427 53.217 -34.486 1.00-20.77 C ATOM 84 HD2 PHE A 6 27.252 52.794 -33.932 1.00-20.77 H ATOM 85 CE1 PHE A 6 24.268 54.293 -35.944 1.00-20.77 C ATOM 86 HE1 PHE A 6 23.437 54.709 -36.495 1.00-20.77 H ATOM 87 CE2 PHE A 6 26.187 52.784 -35.814 1.00-20.77 C ATOM 88 HE2 PHE A 6 26.828 52.041 -36.266 1.00-20.77 H ATOM 89 CZ PHE A 6 25.099 53.319 -36.542 1.00-20.77 C ATOM 90 HZ PHE A 6 24.906 52.987 -37.552 1.00-20.77 H ATOM 91 N LYS A 7 25.973 51.803 -30.700 1.00-20.57 N ATOM 92 H LYS A 7 26.543 52.412 -30.120 1.00-20.57 H ATOM 93 CA LYS A 7 26.115 50.340 -30.603 1.00-20.57 C ATOM 94 HA LYS A 7 26.279 49.940 -31.604 1.00-20.57 H ATOM 95 C LYS A 7 24.827 49.717 -30.065 1.00-20.57 C ATOM 96 O LYS A 7 24.438 48.639 -30.506 1.00-20.57 O ATOM 97 CB LYS A 7 27.294 49.933 -29.707 1.00-20.57 C ATOM 98 1HB LYS A 7 27.121 50.339 -28.716 1.00-20.57 H ATOM 99 2HB LYS A 7 27.314 48.846 -29.623 1.00-20.57 H ATOM 100 CG LYS A 7 28.665 50.407 -30.185 1.00-20.57 C ATOM 101 1HG LYS A 7 28.957 49.864 -31.084 1.00-20.57 H ATOM 102 2HG LYS A 7 28.605 51.460 -30.427 1.00-20.57 H ATOM 103 CD LYS A 7 29.723 50.235 -29.096 1.00-20.57 C ATOM 104 1HD LYS A 7 29.331 50.631 -28.161 1.00-20.57 H ATOM 105 2HD LYS A 7 29.948 49.177 -28.961 1.00-20.57 H ATOM 106 CE LYS A 7 30.996 51.007 -29.441 1.00-20.57 C ATOM 107 1HE LYS A 7 31.468 50.555 -30.315 1.00-20.57 H ATOM 108 2HE LYS A 7 30.723 52.037 -29.683 1.00-20.57 H ATOM 109 NZ LYS A 7 31.960 51.028 -28.282 1.00-20.57 N ATOM 110 1HZ LYS A 7 32.803 51.522 -28.537 1.00-20.57 H ATOM 111 2HZ LYS A 7 32.192 50.089 -27.997 1.00-20.57 H ATOM 112 3HZ LYS A 7 31.530 51.516 -27.493 1.00-20.57 H ATOM 113 N GLN A 8 24.147 50.369 -29.132 1.00-15.17 N ATOM 114 H GLN A 8 24.528 51.234 -28.750 1.00-15.17 H ATOM 115 CA GLN A 8 22.853 49.881 -28.642 1.00-15.17 C ATOM 116 HA GLN A 8 22.964 48.852 -28.309 1.00-15.17 H ATOM 117 C GLN A 8 21.825 49.896 -29.772 1.00-15.17 C ATOM 118 O GLN A 8 21.097 48.921 -29.950 1.00-15.17 O ATOM 119 CB GLN A 8 22.333 50.730 -27.472 1.00-15.17 C ATOM 120 1HB GLN A 8 22.325 51.772 -27.774 1.00-15.17 H ATOM 121 2HB GLN A 8 21.304 50.435 -27.263 1.00-15.17 H ATOM 122 CG GLN A 8 23.128 50.610 -26.173 1.00-15.17 C ATOM 123 1HG GLN A 8 22.994 49.609 -25.765 1.00-15.17 H ATOM 124 2HG GLN A 8 24.183 50.761 -26.376 1.00-15.17 H ATOM 125 CD GLN A 8 22.698 51.635 -25.138 1.00-15.17 C ATOM 126 OE1 GLN A 8 23.305 52.683 -24.995 1.00-15.17 O ATOM 127 NE2 GLN A 8 21.655 51.341 -24.409 1.00-15.17 N ATOM 128 1HE2 GLN A 8 21.362 52.008 -23.712 1.00-15.17 H ATOM 129 2HE2 GLN A 8 21.158 50.481 -24.544 1.00-15.17 H ATOM 130 N PHE A 9 21.802 50.962 -30.559 1.00-19.14 N ATOM 131 H PHE A 9 22.402 51.757 -30.344 1.00-19.14 H ATOM 132 CA PHE A 9 20.923 51.063 -31.724 1.00-19.14 C ATOM 133 HA PHE A 9 19.888 50.936 -31.407 1.00-19.14 H ATOM 134 C PHE A 9 21.217 49.980 -32.758 1.00-19.14 C ATOM 135 O PHE A 9 20.303 49.305 -33.220 1.00-19.14 O ATOM 136 CB PHE A 9 21.081 52.445 -32.364 1.00-19.14 C ATOM 137 1HB PHE A 9 20.753 53.203 -31.652 1.00-19.14 H ATOM 138 2HB PHE A 9 22.131 52.616 -32.582 1.00-19.14 H ATOM 139 CG PHE A 9 20.322 52.605 -33.650 1.00-19.14 C ATOM 140 CD1 PHE A 9 18.933 52.822 -33.644 1.00-19.14 C ATOM 141 HD1 PHE A 9 18.401 52.887 -32.706 1.00-19.14 H ATOM 142 CD2 PHE A 9 21.001 52.524 -34.881 1.00-19.14 C ATOM 143 HD2 PHE A 9 22.069 52.357 -34.898 1.00-19.14 H ATOM 144 CE1 PHE A 9 18.216 52.947 -34.861 1.00-19.14 C ATOM 145 HE1 PHE A 9 17.147 53.104 -34.846 1.00-19.14 H ATOM 146 CE2 PHE A 9 20.301 52.651 -36.104 1.00-19.14 C ATOM 147 HE2 PHE A 9 20.831 52.578 -37.043 1.00-19.14 H ATOM 148 CZ PHE A 9 18.903 52.864 -36.094 1.00-19.14 C ATOM 149 HZ PHE A 9 18.361 52.954 -37.024 1.00-19.14 H ATOM 150 N ALA A 10 22.482 49.760 -33.081 1.00 -6.77 N ATOM 151 H ALA A 10 23.208 50.353 -32.683 1.00 -6.77 H ATOM 152 CA ALA A 10 22.865 48.728 -34.040 1.00 -6.77 C ATOM 153 HA ALA A 10 22.349 48.925 -34.981 1.00 -6.77 H ATOM 154 C ALA A 10 22.445 47.334 -33.560 1.00 -6.77 C ATOM 155 O ALA A 10 21.955 46.520 -34.336 1.00 -6.77 O ATOM 156 CB ALA A 10 24.379 48.793 -34.283 1.00 -6.77 C ATOM 157 1HB ALA A 10 24.649 49.785 -34.650 1.00 -6.77 H ATOM 158 2HB ALA A 10 24.659 48.048 -35.030 1.00 -6.77 H ATOM 159 3HB ALA A 10 24.918 48.593 -33.356 1.00 -6.77 H ATOM 160 N LYS A 11 22.584 47.064 -32.269 1.00 -6.39 N ATOM 161 H LYS A 11 23.027 47.750 -31.663 1.00 -6.39 H ATOM 162 CA LYS A 11 22.103 45.796 -31.706 1.00 -6.39 C ATOM 163 HA LYS A 11 22.481 44.975 -32.318 1.00 -6.39 H ATOM 164 C LYS A 11 20.581 45.701 -31.742 1.00 -6.39 C ATOM 165 O LYS A 11 20.042 44.610 -31.891 1.00 -6.39 O ATOM 166 CB LYS A 11 22.624 45.607 -30.280 1.00 -6.39 C ATOM 167 1HB LYS A 11 22.416 46.510 -29.708 1.00 -6.39 H ATOM 168 2HB LYS A 11 22.090 44.773 -29.824 1.00 -6.39 H ATOM 169 CG LYS A 11 24.123 45.289 -30.248 1.00 -6.39 C ATOM 170 1HG LYS A 11 24.287 44.381 -30.829 1.00 -6.39 H ATOM 171 2HG LYS A 11 24.679 46.096 -30.721 1.00 -6.39 H ATOM 172 CD LYS A 11 24.685 45.065 -28.843 1.00 -6.39 C ATOM 173 1HD LYS A 11 24.074 44.324 -28.327 1.00 -6.39 H ATOM 174 2HD LYS A 11 25.698 44.673 -28.944 1.00 -6.39 H ATOM 175 CE LYS A 11 24.743 46.353 -28.019 1.00 -6.39 C ATOM 176 1HE LYS A 11 25.287 47.109 -28.591 1.00 -6.39 H ATOM 177 2HE LYS A 11 23.727 46.716 -27.847 1.00 -6.39 H ATOM 178 NZ LYS A 11 25.431 46.138 -26.698 1.00 -6.39 N ATOM 179 1HZ LYS A 11 25.463 47.006 -26.180 1.00 -6.39 H ATOM 180 2HZ LYS A 11 26.375 45.811 -26.854 1.00 -6.39 H ATOM 181 3HZ LYS A 11 24.930 45.447 -26.156 1.00 -6.39 H ATOM 182 N GLY A 12 19.886 46.823 -31.655 1.00 7.07 N ATOM 183 H GLY A 12 20.364 47.707 -31.501 1.00 7.07 H ATOM 184 CA GLY A 12 18.441 46.831 -31.822 1.00 7.07 C ATOM 185 1HA GLY A 12 17.993 46.106 -31.144 1.00 7.07 H ATOM 186 2HA GLY A 12 18.057 47.824 -31.589 1.00 7.07 H ATOM 187 C GLY A 12 18.043 46.475 -33.243 1.00 7.07 C ATOM 188 O GLY A 12 17.183 45.622 -33.441 1.00 7.07 O ATOM 189 N VAL A 13 18.713 47.053 -34.230 1.00 38.30 N ATOM 190 H VAL A 13 19.410 47.764 -34.014 1.00 38.30 H ATOM 191 CA VAL A 13 18.472 46.712 -35.637 1.00 38.30 C ATOM 192 HA VAL A 13 17.412 46.843 -35.855 1.00 38.30 H ATOM 193 C VAL A 13 18.822 45.242 -35.868 1.00 38.30 C ATOM 194 O VAL A 13 18.092 44.523 -36.541 1.00 38.30 O ATOM 195 CB VAL A 13 19.296 47.629 -36.595 1.00 38.30 C ATOM 196 HB VAL A 13 20.353 47.531 -36.351 1.00 38.30 H ATOM 197 CG1 VAL A 13 19.099 47.239 -38.071 1.00 38.30 C ATOM 198 1HG1 VAL A 13 19.648 47.928 -38.713 1.00 38.30 H ATOM 199 2HG1 VAL A 13 18.039 47.269 -38.330 1.00 38.30 H ATOM 200 3HG1 VAL A 13 19.477 46.231 -38.245 1.00 38.30 H ATOM 201 CG2 VAL A 13 18.888 49.103 -36.415 1.00 38.30 C ATOM 202 1HG2 VAL A 13 19.471 49.731 -37.089 1.00 38.30 H ATOM 203 2HG2 VAL A 13 19.078 49.433 -35.397 1.00 38.30 H ATOM 204 3HG2 VAL A 13 17.827 49.229 -36.636 1.00 38.30 H ATOM 205 N GLY A 14 19.892 44.758 -35.255 1.00 25.59 N ATOM 206 H GLY A 14 20.494 45.380 -34.721 1.00 25.59 H ATOM 207 CA GLY A 14 20.228 43.346 -35.355 1.00 25.59 C ATOM 208 1HA GLY A 14 20.365 43.096 -36.406 1.00 25.59 H ATOM 209 2HA GLY A 14 21.160 43.157 -34.823 1.00 25.59 H ATOM 210 C GLY A 14 19.145 42.441 -34.798 1.00 25.59 C ATOM 211 O GLY A 14 18.827 41.418 -35.398 1.00 25.59 O ATOM 212 N LYS A 15 18.514 42.818 -33.693 1.00-21.15 N ATOM 213 H LYS A 15 18.802 43.668 -33.214 1.00-21.15 H ATOM 214 CA LYS A 15 17.382 42.042 -33.177 1.00-21.15 C ATOM 215 HA LYS A 15 17.670 40.995 -33.103 1.00-21.15 H ATOM 216 C LYS A 15 16.200 42.111 -34.125 1.00-21.15 C ATOM 217 O LYS A 15 15.491 41.123 -34.269 1.00-21.15 O ATOM 218 CB LYS A 15 16.912 42.532 -31.808 1.00-21.15 C ATOM 219 1HB LYS A 15 16.779 43.612 -31.838 1.00-21.15 H ATOM 220 2HB LYS A 15 15.941 42.076 -31.613 1.00-21.15 H ATOM 221 CG LYS A 15 17.829 42.169 -30.655 1.00-21.15 C ATOM 222 1HG LYS A 15 17.984 41.090 -30.652 1.00-21.15 H ATOM 223 2HG LYS A 15 18.787 42.671 -30.766 1.00-21.15 H ATOM 224 CD LYS A 15 17.179 42.583 -29.344 1.00-21.15 C ATOM 225 1HD LYS A 15 17.010 43.661 -29.353 1.00-21.15 H ATOM 226 2HD LYS A 15 16.218 42.075 -29.255 1.00-21.15 H ATOM 227 CE LYS A 15 18.046 42.213 -28.150 1.00-21.15 C ATOM 228 1HE LYS A 15 18.264 41.143 -28.188 1.00-21.15 H ATOM 229 2HE LYS A 15 18.987 42.765 -28.208 1.00-21.15 H ATOM 230 NZ LYS A 15 17.341 42.533 -26.859 1.00-21.15 N ATOM 231 1HZ LYS A 15 17.924 42.278 -26.073 1.00-21.15 H ATOM 232 2HZ LYS A 15 16.474 42.015 -26.805 1.00-21.15 H ATOM 233 3HZ LYS A 15 17.135 43.522 -26.814 1.00-21.15 H ATOM 234 N ASP A 16 15.979 43.240 -34.778 1.00 5.36 N ATOM 235 H ASP A 16 16.570 44.052 -34.618 1.00 5.36 H ATOM 236 CA ASP A 16 14.873 43.340 -35.729 1.00 5.36 C ATOM 237 HA ASP A 16 13.970 42.998 -35.228 1.00 5.36 H ATOM 238 C ASP A 16 15.117 42.441 -36.939 1.00 5.36 C ATOM 239 O ASP A 16 14.206 41.786 -37.427 1.00 5.36 O ATOM 240 CB ASP A 16 14.637 44.779 -36.185 1.00 5.36 C ATOM 241 1HB ASP A 16 14.664 45.429 -35.310 1.00 5.36 H ATOM 242 2HB ASP A 16 15.430 45.081 -36.870 1.00 5.36 H ATOM 243 CG ASP A 16 13.289 44.942 -36.863 1.00 5.36 C ATOM 244 OD1 ASP A 16 13.153 44.690 -38.078 1.00 5.36 O ATOM 245 OD2 ASP A 16 12.307 45.248 -36.151 1.00 5.36 O ATOM 246 N LEU A 17 16.359 42.322 -37.384 1.00 -9.60 N ATOM 247 H LEU A 17 17.092 42.903 -36.977 1.00 -9.60 H ATOM 248 CA LEU A 17 16.690 41.396 -38.469 1.00 -9.60 C ATOM 249 HA LEU A 17 16.035 41.606 -39.314 1.00 -9.60 H ATOM 250 C LEU A 17 16.453 39.943 -38.055 1.00 -9.60 C ATOM 251 O LEU A 17 15.911 39.149 -38.832 1.00 -9.60 O ATOM 252 CB LEU A 17 18.147 41.578 -38.910 1.00 -9.60 C ATOM 253 1HB LEU A 17 18.779 41.451 -38.033 1.00 -9.60 H ATOM 254 2HB LEU A 17 18.387 40.777 -39.607 1.00 -9.60 H ATOM 255 CG LEU A 17 18.524 42.911 -39.580 1.00 -9.60 C ATOM 256 HG LEU A 17 18.217 43.730 -38.937 1.00 -9.60 H ATOM 257 CD1 LEU A 17 20.039 42.989 -39.753 1.00 -9.60 C ATOM 258 1HD1 LEU A 17 20.308 43.952 -40.189 1.00 -9.60 H ATOM 259 2HD1 LEU A 17 20.389 42.186 -40.403 1.00 -9.60 H ATOM 260 3HD1 LEU A 17 20.522 42.904 -38.780 1.00 -9.60 H ATOM 261 CD2 LEU A 17 17.846 43.098 -40.939 1.00 -9.60 C ATOM 262 1HD2 LEU A 17 18.175 44.037 -41.385 1.00 -9.60 H ATOM 263 2HD2 LEU A 17 16.765 43.147 -40.806 1.00 -9.60 H ATOM 264 3HD2 LEU A 17 18.097 42.273 -41.604 1.00 -9.60 H ATOM 265 N ILE A 18 16.800 39.597 -36.821 1.00-19.56 N ATOM 266 H ILE A 18 17.285 40.273 -36.234 1.00-19.56 H ATOM 267 CA ILE A 18 16.518 38.258 -36.288 1.00-19.56 C ATOM 268 HA ILE A 18 16.928 37.516 -36.972 1.00-19.56 H ATOM 269 C ILE A 18 15.003 38.048 -36.222 1.00-19.56 C ATOM 270 O ILE A 18 14.501 37.006 -36.646 1.00-19.56 O ATOM 271 CB ILE A 18 17.169 38.045 -34.884 1.00-19.56 C ATOM 272 HB ILE A 18 16.842 38.849 -34.226 1.00-19.56 H ATOM 273 CG1 ILE A 18 18.706 38.092 -35.008 1.00-19.56 C ATOM 274 1HG1 ILE A 18 19.043 37.168 -35.480 1.00-19.56 H ATOM 275 2HG1 ILE A 18 18.988 38.911 -35.664 1.00-19.56 H ATOM 276 CG2 ILE A 18 16.742 36.688 -34.255 1.00-19.56 C ATOM 277 1HG2 ILE A 18 17.223 36.548 -33.288 1.00-19.56 H ATOM 278 2HG2 ILE A 18 17.017 35.863 -34.915 1.00-19.56 H ATOM 279 3HG2 ILE A 18 15.663 36.670 -34.097 1.00-19.56 H ATOM 280 CD1 ILE A 18 19.471 38.276 -33.687 1.00-19.56 C ATOM 281 1HD1 ILE A 18 20.536 38.368 -33.903 1.00-19.56 H ATOM 282 2HD1 ILE A 18 19.317 37.417 -33.035 1.00-19.56 H ATOM 283 3HD1 ILE A 18 19.133 39.183 -33.187 1.00-19.56 H ATOM 284 N LYS A 19 14.250 39.043 -35.770 1.00-11.98 N ATOM 285 H LYS A 19 14.705 39.888 -35.419 1.00-11.98 H ATOM 286 CA LYS A 19 12.783 38.966 -35.746 1.00-11.98 C ATOM 287 HA LYS A 19 12.494 38.069 -35.200 1.00-11.98 H ATOM 288 C LYS A 19 12.249 38.808 -37.165 1.00-11.98 C ATOM 289 O LYS A 19 11.298 38.072 -37.390 1.00-11.98 O ATOM 290 CB LYS A 19 12.208 40.186 -34.997 1.00-11.98 C ATOM 291 1HB LYS A 19 12.077 39.889 -33.957 1.00-11.98 H ATOM 292 2HB LYS A 19 12.958 40.972 -35.005 1.00-11.98 H ATOM 293 CG LYS A 19 10.878 40.804 -35.479 1.00-11.98 C ATOM 294 1HG LYS A 19 10.260 40.054 -35.969 1.00-11.98 H ATOM 295 2HG LYS A 19 10.340 41.182 -34.609 1.00-11.98 H ATOM 296 CD LYS A 19 11.140 41.980 -36.421 1.00-11.98 C ATOM 297 1HD LYS A 19 11.798 42.680 -35.910 1.00-11.98 H ATOM 298 2HD LYS A 19 11.649 41.621 -37.311 1.00-11.98 H ATOM 299 CE LYS A 19 9.899 42.734 -36.858 1.00-11.98 C ATOM 300 1HE LYS A 19 9.246 42.074 -37.432 1.00-11.98 H ATOM 301 2HE LYS A 19 9.370 43.103 -35.977 1.00-11.98 H ATOM 302 NZ LYS A 19 10.345 43.898 -37.703 1.00-11.98 N ATOM 303 1HZ LYS A 19 9.556 44.428 -38.037 1.00-11.98 H ATOM 304 2HZ LYS A 19 10.905 43.580 -38.482 1.00-11.98 H ATOM 305 3HZ LYS A 19 10.949 44.511 -37.150 1.00-11.98 H ATOM 306 N GLY A 20 12.897 39.426 -38.138 1.00 9.41 N ATOM 307 H GLY A 20 13.679 40.041 -37.905 1.00 9.41 H ATOM 308 CA GLY A 20 12.502 39.291 -39.527 1.00 9.41 C ATOM 309 1HA GLY A 20 11.456 39.579 -39.623 1.00 9.41 H ATOM 310 2HA GLY A 20 13.109 39.962 -40.133 1.00 9.41 H ATOM 311 C GLY A 20 12.660 37.876 -40.046 1.00 9.41 C ATOM 312 O GLY A 20 11.868 37.436 -40.883 1.00 9.41 O ATOM 313 N ALA A 21 13.650 37.140 -39.559 1.00 4.25 N ATOM 314 H ALA A 21 14.302 37.557 -38.895 1.00 4.25 H ATOM 315 CA ALA A 21 13.820 35.733 -39.922 1.00 4.25 C ATOM 316 HA ALA A 21 13.604 35.610 -40.982 1.00 4.25 H ATOM 317 C ALA A 21 12.843 34.851 -39.130 1.00 4.25 C ATOM 318 O ALA A 21 12.322 33.861 -39.646 1.00 4.25 O ATOM 319 CB ALA A 21 15.270 35.307 -39.659 1.00 4.25 C ATOM 320 1HB ALA A 21 15.953 35.946 -40.220 1.00 4.25 H ATOM 321 2HB ALA A 21 15.407 34.271 -39.973 1.00 4.25 H ATOM 322 3HB ALA A 21 15.498 35.389 -38.594 1.00 4.25 H ATOM 323 N ALA A 22 12.571 35.241 -37.893 1.00 15.79 N ATOM 324 H ALA A 22 13.046 36.060 -37.519 1.00 15.79 H ATOM 325 CA ALA A 22 11.654 34.526 -37.005 1.00 15.79 C ATOM 326 HA ALA A 22 11.969 33.483 -36.959 1.00 15.79 H ATOM 327 C ALA A 22 10.200 34.537 -37.492 1.00 15.79 C ATOM 328 O ALA A 22 9.402 33.709 -37.072 1.00 15.79 O ATOM 329 CB ALA A 22 11.748 35.110 -35.591 1.00 15.79 C ATOM 330 1HB ALA A 22 12.786 35.115 -35.258 1.00 15.79 H ATOM 331 2HB ALA A 22 11.156 34.496 -34.908 1.00 15.79 H ATOM 332 3HB ALA A 22 11.353 36.125 -35.582 1.00 15.79 H ATOM 333 N GLN A 23 9.888 35.406 -38.448 1.00 11.36 N ATOM 334 H GLN A 23 10.575 36.094 -38.714 1.00 11.36 H ATOM 335 CA GLN A 23 8.591 35.395 -39.137 1.00 11.36 C ATOM 336 HA GLN A 23 7.798 35.489 -38.394 1.00 11.36 H ATOM 337 C GLN A 23 8.347 34.098 -39.919 1.00 11.36 C ATOM 338 O GLN A 23 7.248 33.860 -40.405 1.00 11.36 O ATOM 339 CB GLN A 23 8.491 36.563 -40.125 1.00 11.36 C ATOM 340 1HB GLN A 23 9.280 36.446 -40.868 1.00 11.36 H ATOM 341 2HB GLN A 23 7.529 36.506 -40.634 1.00 11.36 H ATOM 342 CG GLN A 23 8.611 37.942 -39.489 1.00 11.36 C ATOM 343 1HG GLN A 23 7.854 38.046 -38.712 1.00 11.36 H ATOM 344 2HG GLN A 23 9.590 38.030 -39.042 1.00 11.36 H ATOM 345 CD GLN A 23 8.457 39.071 -40.482 1.00 11.36 C ATOM 346 OE1 GLN A 23 7.609 39.932 -40.337 1.00 11.36 O ATOM 347 NE2 GLN A 23 9.301 39.099 -41.480 1.00 11.36 N ATOM 348 1HE2 GLN A 23 9.191 39.821 -42.172 1.00 11.36 H ATOM 349 2HE2 GLN A 23 10.027 38.403 -41.539 1.00 11.36 H ATOM 350 N GLY A 24 9.369 33.265 -40.061 1.00 27.16 N ATOM 351 H GLY A 24 10.286 33.526 -39.708 1.00 27.16 H ATOM 352 CA GLY A 24 9.201 31.944 -40.638 1.00 27.16 C ATOM 353 1HA GLY A 24 8.832 31.270 -39.865 1.00 27.16 H ATOM 354 2HA GLY A 24 8.472 31.971 -41.442 1.00 27.16 H ATOM 355 C GLY A 24 10.505 31.408 -41.173 1.00 27.16 C ATOM 356 O GLY A 24 10.863 31.624 -42.338 1.00 27.16 O ATOM 357 N VAL A 25 11.228 30.722 -40.304 1.00-12.33 N ATOM 358 H VAL A 25 10.883 30.586 -39.367 1.00-12.33 H ATOM 359 CA VAL A 25 12.499 30.107 -40.666 1.00-12.33 C ATOM 360 HA VAL A 25 13.159 30.871 -41.074 1.00-12.33 H ATOM 361 C VAL A 25 12.163 29.092 -41.755 1.00-12.33 C ATOM 362 O VAL A 25 11.183 28.357 -41.639 1.00-12.33 O ATOM 363 CB VAL A 25 13.172 29.454 -39.429 1.00-12.33 C ATOM 364 HB VAL A 25 12.499 28.701 -39.020 1.00-12.33 H ATOM 365 CG1 VAL A 25 14.501 28.777 -39.799 1.00-12.33 C ATOM 366 1HG1 VAL A 25 14.958 28.357 -38.901 1.00-12.33 H ATOM 367 2HG1 VAL A 25 15.188 29.499 -40.241 1.00-12.33 H ATOM 368 3HG1 VAL A 25 14.320 27.961 -40.497 1.00-12.33 H ATOM 369 CG2 VAL A 25 13.425 30.518 -38.342 1.00-12.33 C ATOM 370 1HG2 VAL A 25 13.945 30.064 -37.497 1.00-12.33 H ATOM 371 2HG2 VAL A 25 12.482 30.924 -37.978 1.00-12.33 H ATOM 372 3HG2 VAL A 25 14.033 31.332 -38.741 1.00-12.33 H ATOM 373 N LEU A 26 12.937 29.143 -42.833 1.00 12.31 N ATOM 374 H LEU A 26 13.736 29.751 -42.792 1.00 12.31 H ATOM 375 CA LEU A 26 12.711 28.444 -44.108 1.00 12.31 C ATOM 376 HA LEU A 26 13.543 28.716 -44.756 1.00 12.31 H ATOM 377 C LEU A 26 11.453 28.851 -44.882 1.00 12.31 C ATOM 378 O LEU A 26 11.563 29.179 -46.055 1.00 12.31 O ATOM 379 CB LEU A 26 12.756 26.914 -43.960 1.00 12.31 C ATOM 380 1HB LEU A 26 11.921 26.610 -43.330 1.00 12.31 H ATOM 381 2HB LEU A 26 12.586 26.483 -44.947 1.00 12.31 H ATOM 382 CG LEU A 26 14.029 26.273 -43.385 1.00 12.31 C ATOM 383 HG LEU A 26 14.244 26.725 -42.419 1.00 12.31 H ATOM 384 CD1 LEU A 26 13.794 24.782 -43.166 1.00 12.31 C ATOM 385 1HD1 LEU A 26 14.682 24.330 -42.722 1.00 12.31 H ATOM 386 2HD1 LEU A 26 13.577 24.288 -44.115 1.00 12.31 H ATOM 387 3HD1 LEU A 26 12.955 24.637 -42.485 1.00 12.31 H ATOM 388 CD2 LEU A 26 15.248 26.471 -44.290 1.00 12.31 C ATOM 389 1HD2 LEU A 26 16.111 25.965 -43.857 1.00 12.31 H ATOM 390 2HD2 LEU A 26 15.479 27.531 -44.381 1.00 12.31 H ATOM 391 3HD2 LEU A 26 15.052 26.057 -45.281 1.00 12.31 H ATOM 392 N SER A 27 10.278 28.871 -44.274 1.00 16.29 N ATOM 393 H SER A 27 10.229 28.649 -43.278 1.00 16.29 H ATOM 394 CA SER A 27 9.035 29.163 -44.992 1.00 16.29 C ATOM 395 HA SER A 27 8.965 28.501 -45.856 1.00 16.29 H ATOM 396 C SER A 27 8.942 30.602 -45.505 1.00 16.29 C ATOM 397 O SER A 27 8.921 30.861 -46.710 1.00 16.29 O ATOM 398 CB SER A 27 7.865 28.871 -44.052 1.00 16.29 C ATOM 399 1HB SER A 27 6.945 29.283 -44.470 1.00 16.29 H ATOM 400 2HB SER A 27 7.759 27.791 -43.947 1.00 16.29 H ATOM 401 OG SER A 27 8.119 29.429 -42.770 1.00 16.29 O ATOM 402 HG SER A 27 7.405 29.166 -42.176 1.00 16.29 H ATOM 403 N THR A 28 8.938 31.558 -44.593 1.00 39.96 N ATOM 404 H THR A 28 8.948 31.304 -43.611 1.00 39.96 H ATOM 405 CA THR A 28 8.887 32.973 -44.947 1.00 39.96 C ATOM 406 HA THR A 28 8.103 33.121 -45.688 1.00 39.96 H ATOM 407 C THR A 28 10.222 33.373 -45.560 1.00 39.96 C ATOM 408 O THR A 28 10.290 34.249 -46.410 1.00 39.96 O ATOM 409 CB THR A 28 8.535 33.812 -43.705 1.00 39.96 C ATOM 410 HB THR A 28 9.354 33.762 -42.989 1.00 39.96 H ATOM 411 OG1 THR A 28 7.357 33.244 -43.129 1.00 39.96 O ATOM 412 HG1 THR A 28 7.225 33.612 -42.239 1.00 39.96 H ATOM 413 CG2 THR A 28 8.226 35.259 -44.026 1.00 39.96 C ATOM 414 1HG2 THR A 28 7.973 35.785 -43.107 1.00 39.96 H ATOM 415 2HG2 THR A 28 7.371 35.307 -44.701 1.00 39.96 H ATOM 416 3HG2 THR A 28 9.085 35.737 -44.492 1.00 39.96 H ATOM 417 N MET A 29 11.293 32.668 -45.226 1.00 -2.81 N ATOM 418 H MET A 29 11.223 31.964 -44.498 1.00 -2.81 H ATOM 419 CA MET A 29 12.562 32.897 -45.918 1.00 -2.81 C ATOM 420 HA MET A 29 12.780 33.962 -45.874 1.00 -2.81 H ATOM 421 C MET A 29 12.490 32.524 -47.405 1.00 -2.81 C ATOM 422 O MET A 29 13.067 33.216 -48.233 1.00 -2.81 O ATOM 423 CB MET A 29 13.710 32.149 -45.238 1.00 -2.81 C ATOM 424 1HB MET A 29 13.493 31.084 -45.256 1.00 -2.81 H ATOM 425 2HB MET A 29 14.619 32.319 -45.814 1.00 -2.81 H ATOM 426 CG MET A 29 13.959 32.579 -43.789 1.00 -2.81 C ATOM 427 1HG MET A 29 13.067 32.368 -43.204 1.00 -2.81 H ATOM 428 2HG MET A 29 14.779 31.985 -43.385 1.00 -2.81 H ATOM 429 SD MET A 29 14.364 34.338 -43.592 1.00 -2.81 S ATOM 430 CE MET A 29 16.033 34.442 -44.288 1.00 -2.81 C ATOM 431 1HE MET A 29 16.419 35.456 -44.174 1.00 -2.81 H ATOM 432 2HE MET A 29 16.011 34.186 -45.348 1.00 -2.81 H ATOM 433 3HE MET A 29 16.695 33.750 -43.764 1.00 -2.81 H ATOM 434 N SER A 30 11.738 31.497 -47.775 1.00 -6.21 N ATOM 435 H SER A 30 11.290 30.908 -47.078 1.00 -6.21 H ATOM 436 CA SER A 30 11.545 31.170 -49.191 1.00 -6.21 C ATOM 437 HA SER A 30 12.511 31.201 -49.697 1.00 -6.21 H ATOM 438 C SER A 30 10.614 32.176 -49.862 1.00 -6.21 C ATOM 439 O SER A 30 10.769 32.503 -51.030 1.00 -6.21 O ATOM 440 CB SER A 30 10.958 29.768 -49.348 1.00 -6.21 C ATOM 441 1HB SER A 30 9.982 29.725 -48.864 1.00 -6.21 H ATOM 442 2HB SER A 30 10.839 29.547 -50.409 1.00 -6.21 H ATOM 443 OG SER A 30 11.816 28.804 -48.761 1.00 -6.21 O ATOM 444 HG SER A 30 11.751 28.876 -47.794 1.00 -6.21 H ATOM 445 N CYS A 31 9.677 32.725 -49.104 1.00 31.98 N ATOM 446 H CYS A 31 9.564 32.404 -48.149 1.00 31.98 H ATOM 447 CA CYS A 31 8.796 33.783 -49.606 1.00 31.98 C ATOM 448 HA CYS A 31 8.298 33.441 -50.513 1.00 31.98 H ATOM 449 C CYS A 31 9.601 35.050 -49.947 1.00 31.98 C ATOM 450 O CYS A 31 9.289 35.782 -50.890 1.00 31.98 O ATOM 451 CB CYS A 31 7.739 34.072 -48.537 1.00 31.98 C ATOM 452 1HB CYS A 31 7.210 33.148 -48.305 1.00 31.98 H ATOM 453 2HB CYS A 31 8.249 34.402 -47.637 1.00 31.98 H ATOM 454 SG CYS A 31 6.518 35.348 -48.964 1.00 31.98 S ATOM 455 N LYS A 32 10.701 35.270 -49.237 1.00 17.25 N ATOM 456 H LYS A 32 10.918 34.656 -48.460 1.00 17.25 H ATOM 457 CA LYS A 32 11.610 36.383 -49.538 1.00 17.25 C ATOM 458 HA LYS A 32 11.021 37.287 -49.667 1.00 17.25 H ATOM 459 C LYS A 32 12.406 36.199 -50.818 1.00 17.25 C ATOM 460 O LYS A 32 12.880 37.182 -51.369 1.00 17.25 O ATOM 461 CB LYS A 32 12.586 36.618 -48.385 1.00 17.25 C ATOM 462 1HB LYS A 32 13.097 35.686 -48.166 1.00 17.25 H ATOM 463 2HB LYS A 32 13.332 37.351 -48.695 1.00 17.25 H ATOM 464 CG LYS A 32 11.913 37.127 -47.130 1.00 17.25 C ATOM 465 1HG LYS A 32 11.548 38.136 -47.303 1.00 17.25 H ATOM 466 2HG LYS A 32 11.071 36.491 -46.887 1.00 17.25 H ATOM 467 CD LYS A 32 12.858 37.136 -45.959 1.00 17.25 C ATOM 468 1HD LYS A 32 13.287 36.142 -45.841 1.00 17.25 H ATOM 469 2HD LYS A 32 13.656 37.857 -46.139 1.00 17.25 H ATOM 470 CE LYS A 32 12.094 37.502 -44.702 1.00 17.25 C ATOM 471 1HE LYS A 32 11.664 38.501 -44.815 1.00 17.25 H ATOM 472 2HE LYS A 32 11.285 36.783 -44.556 1.00 17.25 H ATOM 473 NZ LYS A 32 13.013 37.464 -43.526 1.00 17.25 N ATOM 474 1HZ LYS A 32 12.485 37.610 -42.671 1.00 17.25 H ATOM 475 2HZ LYS A 32 13.717 38.184 -43.614 1.00 17.25 H ATOM 476 3HZ LYS A 32 13.462 36.559 -43.473 1.00 17.25 H ATOM 477 N LEU A 33 12.512 34.985 -51.338 1.00 -7.81 N ATOM 478 H LEU A 33 12.117 34.188 -50.856 1.00 -7.81 H ATOM 479 CA LEU A 33 13.179 34.776 -52.627 1.00 -7.81 C ATOM 480 HA LEU A 33 14.166 35.237 -52.596 1.00 -7.81 H ATOM 481 C LEU A 33 12.370 35.439 -53.742 1.00 -7.81 C ATOM 482 O LEU A 33 12.920 36.016 -54.670 1.00 -7.81 O ATOM 483 CB LEU A 33 13.329 33.276 -52.912 1.00 -7.81 C ATOM 484 1HB LEU A 33 13.810 32.817 -52.048 1.00 -7.81 H ATOM 485 2HB LEU A 33 12.330 32.854 -53.001 1.00 -7.81 H ATOM 486 CG LEU A 33 14.110 32.856 -54.168 1.00 -7.81 C ATOM 487 HG LEU A 33 13.631 33.297 -55.041 1.00 -7.81 H ATOM 488 CD1 LEU A 33 15.570 33.310 -54.136 1.00 -7.81 C ATOM 489 1HD1 LEU A 33 16.089 32.937 -55.018 1.00 -7.81 H ATOM 490 2HD1 LEU A 33 16.064 32.938 -53.239 1.00 -7.81 H ATOM 491 3HD1 LEU A 33 15.615 34.400 -54.152 1.00 -7.81 H ATOM 492 CD2 LEU A 33 14.053 31.336 -54.314 1.00 -7.81 C ATOM 493 1HD2 LEU A 33 14.561 31.037 -55.230 1.00 -7.81 H ATOM 494 2HD2 LEU A 33 13.013 31.012 -54.371 1.00 -7.81 H ATOM 495 3HD2 LEU A 33 14.533 30.855 -53.460 1.00 -7.81 H ATOM 496 N ALA A 34 11.051 35.399 -53.611 1.00 25.34 N ATOM 497 H ALA A 34 10.647 34.905 -52.827 1.00 25.34 H ATOM 498 CA ALA A 34 10.151 36.060 -54.557 1.00 25.34 C ATOM 499 HA ALA A 34 10.593 36.031 -55.554 1.00 25.34 H ATOM 500 C ALA A 34 9.928 37.531 -54.172 1.00 25.34 C ATOM 501 O ALA A 34 9.192 38.259 -54.835 1.00 25.34 O ATOM 502 CB ALA A 34 8.813 35.305 -54.584 1.00 25.34 C ATOM 503 1HB ALA A 34 8.981 34.267 -54.870 1.00 25.34 H ATOM 504 2HB ALA A 34 8.148 35.773 -55.311 1.00 25.34 H ATOM 505 3HB ALA A 34 8.343 35.342 -53.599 1.00 25.34 H ATOM 506 N LYS A 35 10.512 37.914 -53.042 1.00 24.94 N ATOM 507 H LYS A 35 11.128 37.253 -52.590 1.00 24.94 H ATOM 508 CA LYS A 35 10.337 39.211 -52.377 1.00 24.94 C ATOM 509 HA LYS A 35 10.810 39.107 -51.402 1.00 24.94 H ATOM 510 C LYS A 35 8.877 39.570 -52.098 1.00 24.94 C ATOM 511 O LYS A 35 8.514 40.736 -51.932 1.00 24.94 O ATOM 512 CB LYS A 35 11.108 40.310 -53.122 1.00 24.94 C ATOM 513 1HB LYS A 35 11.832 39.815 -53.770 1.00 24.94 H ATOM 514 2HB LYS A 35 10.428 40.876 -53.759 1.00 24.94 H ATOM 515 CG LYS A 35 11.895 41.257 -52.196 1.00 24.94 C ATOM 516 1HG LYS A 35 12.121 40.744 -51.262 1.00 24.94 H ATOM 517 2HG LYS A 35 12.843 41.489 -52.682 1.00 24.94 H ATOM 518 CD LYS A 35 11.189 42.586 -51.894 1.00 24.94 C ATOM 519 1HD LYS A 35 11.796 43.390 -52.308 1.00 24.94 H ATOM 520 2HD LYS A 35 10.219 42.610 -52.389 1.00 24.94 H ATOM 521 CE LYS A 35 10.993 42.847 -50.394 1.00 24.94 C ATOM 522 1HE LYS A 35 11.949 42.724 -49.882 1.00 24.94 H ATOM 523 2HE LYS A 35 10.671 43.883 -50.272 1.00 24.94 H ATOM 524 NZ LYS A 35 9.968 41.956 -49.754 1.00 24.94 N ATOM 525 1HZ LYS A 35 9.734 42.274 -48.824 1.00 24.94 H ATOM 526 2HZ LYS A 35 10.317 41.002 -49.674 1.00 24.94 H ATOM 527 3HZ LYS A 35 9.130 41.920 -50.326 1.00 24.94 H ATOM 528 N THR A 36 8.042 38.551 -51.974 1.00 -1.20 N ATOM 529 H THR A 36 8.370 37.606 -52.126 1.00 -1.20 H ATOM 530 CA THR A 36 6.646 38.735 -51.591 1.00 -1.20 C ATOM 531 HA THR A 36 6.274 39.685 -51.974 1.00 -1.20 H ATOM 532 C THR A 36 6.555 38.785 -50.068 1.00 -1.20 C ATOM 533 O THR A 36 5.517 39.125 -49.509 1.00 -1.20 O ATOM 534 CB THR A 36 5.784 37.598 -52.165 1.00 -1.20 C ATOM 535 HB THR A 36 4.790 37.617 -51.719 1.00 -1.20 H ATOM 536 OG1 THR A 36 6.427 36.346 -51.915 1.00 -1.20 O ATOM 537 HG1 THR A 36 6.370 36.161 -50.971 1.00 -1.20 H ATOM 538 CG2 THR A 36 5.660 37.712 -53.676 1.00 -1.20 C ATOM 539 1HG2 THR A 36 5.054 36.888 -54.047 1.00 -1.20 H ATOM 540 2HG2 THR A 36 6.645 37.666 -54.142 1.00 -1.20 H ATOM 541 3HG2 THR A 36 5.181 38.655 -53.937 1.00 -1.20 H ATOM 542 N CYS A 37 7.677 38.511 -49.419 1.00 3.66 N ATOM 543 H CYS A 37 8.497 38.230 -49.938 1.00 3.66 H ATOM 544 CA CYS A 37 7.887 38.723 -47.992 1.00 3.66 C ATOM 545 HA CYS A 37 7.123 39.381 -47.578 1.00 3.66 H ATOM 546 C CYS A 37 9.247 39.406 -47.980 1.00 3.66 C ATOM 547 O CYS A 37 9.902 39.263 -49.039 1.00 3.66 O ATOM 548 OXT CYS A 37 9.652 40.078 -47.014 1.00 3.66 O ATOM 549 CB CYS A 37 7.938 37.403 -47.222 1.00 3.66 C ATOM 550 1HB CYS A 37 8.745 36.795 -47.626 1.00 3.66 H ATOM 551 2HB CYS A 37 8.175 37.637 -46.184 1.00 3.66 H ATOM 552 SG CYS A 37 6.391 36.435 -47.255 1.00 3.66 S TER 553 CYS A 37 CONECT 454 451 552 CONECT 552 454 549 END
SEQUENCE	GILDSFKQFAKGVGKDLIKGAAQGVLSTMSCKLAKTC
HELICITY	89.20	INSTAB. INDEX	22.77	FLEXIBILITY	14.91
a HYD. MOM.	38.84	b HYD. MOM.	19.56	c HYD. MOM	4.37
a MEAN HYD. MOM.	1.05	b MEAN HYD. MOM.	0.53	c MEAN HYD. MOM.	0.12
CHARGE pH5	4.14	CHARGE pH7	3.91	CHARGE pH9	2.00
Δ CHARGE pH5-pH9	2.14	ISOELECTRIC POINT	9.51	BOMAN INDEX	0.45
ΔG	23	CPP	-0,17	MLP	-14,72
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	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Glandirana rugosa
DATE	1995
TITLE PAPER	Isolation and characterization of novel antimicrobial peptides, rugosins A, B and C, from the skin of the frog, Rana rugosa