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ID	2297	NAME	Spheniscin-2   Blast NCBI-PROT
LENGTH	38	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\SFGLCRLRRGFCARGRCRFPSIPIGRCSRFVQCCRRVW.pdb REMARK YASARA Written on: Wed May 14 17:59:36 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 631 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: SPHENISCIN-2; COMPND 3 CHAIN: A; SEQRES 1 A 38 SER PHE GLY LEU CYS ARG LEU ARG ARG GLY PHE CYS ALA SEQRES 2 A 38 ARG GLY ARG CYS ARG PHE PRO SER ILE PRO ILE GLY ARG SEQRES 3 A 38 CYS SER ARG PHE VAL GLN CYS CYS ARG ARG VAL TRP 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 5 CYS A 33 2.03 SSBOND 3 CYS A 12 CYS A 27 2.03 SSBOND 5 CYS A 17 CYS A 34 2.03 ATOM 1 N SER A 1 -23.941 -27.190 -18.275 1.00 -5.14 N ATOM 2 1H SER A 1 -23.227 -27.874 -18.482 1.00 -5.14 H ATOM 3 2H SER A 1 -23.592 -26.532 -17.593 1.00 -5.14 H ATOM 4 3H SER A 1 -24.192 -26.692 -19.118 1.00 -5.14 H ATOM 5 CA SER A 1 -25.140 -27.875 -17.729 1.00 -5.14 C ATOM 6 HA SER A 1 -25.548 -28.540 -18.487 1.00 -5.14 H ATOM 7 C SER A 1 -26.183 -26.850 -17.350 1.00 -5.14 C ATOM 8 O SER A 1 -25.825 -25.687 -17.230 1.00 -5.14 O ATOM 9 CB SER A 1 -24.741 -28.701 -16.510 1.00 -5.14 C ATOM 10 1HB SER A 1 -24.381 -28.037 -15.722 1.00 -5.14 H ATOM 11 2HB SER A 1 -25.603 -29.261 -16.146 1.00 -5.14 H ATOM 12 OG SER A 1 -23.707 -29.595 -16.882 1.00 -5.14 O ATOM 13 HG SER A 1 -23.479 -30.143 -16.121 1.00 -5.14 H ATOM 14 N PHE A 2 -27.429 -27.277 -17.168 1.00 18.60 N ATOM 15 H PHE A 2 -27.610 -28.272 -17.305 1.00 18.60 H ATOM 16 CA PHE A 2 -28.595 -26.464 -16.778 1.00 18.60 C ATOM 17 HA PHE A 2 -29.431 -27.157 -16.719 1.00 18.60 H ATOM 18 C PHE A 2 -29.046 -25.377 -17.757 1.00 18.60 C ATOM 19 O PHE A 2 -30.155 -25.453 -18.274 1.00 18.60 O ATOM 20 CB PHE A 2 -28.419 -25.883 -15.368 1.00 18.60 C ATOM 21 1HB PHE A 2 -27.747 -25.027 -15.414 1.00 18.60 H ATOM 22 2HB PHE A 2 -29.389 -25.534 -15.013 1.00 18.60 H ATOM 23 CG PHE A 2 -27.859 -26.868 -14.378 1.00 18.60 C ATOM 24 CD1 PHE A 2 -26.524 -26.757 -13.943 1.00 18.60 C ATOM 25 HD1 PHE A 2 -25.910 -25.937 -14.291 1.00 18.60 H ATOM 26 CD2 PHE A 2 -28.654 -27.917 -13.883 1.00 18.60 C ATOM 27 HD2 PHE A 2 -29.688 -27.997 -14.184 1.00 18.60 H ATOM 28 CE1 PHE A 2 -25.973 -27.704 -13.044 1.00 18.60 C ATOM 29 HE1 PHE A 2 -24.950 -27.605 -12.709 1.00 18.60 H ATOM 30 CE2 PHE A 2 -28.116 -28.876 -12.990 1.00 18.60 C ATOM 31 HE2 PHE A 2 -28.735 -29.683 -12.622 1.00 18.60 H ATOM 32 CZ PHE A 2 -26.771 -28.770 -12.572 1.00 18.60 C ATOM 33 HZ PHE A 2 -26.358 -29.493 -11.883 1.00 18.60 H ATOM 34 N GLY A 3 -28.178 -24.428 -18.077 1.00 3.37 N ATOM 35 H GLY A 3 -27.258 -24.441 -17.646 1.00 3.37 H ATOM 36 CA GLY A 3 -28.473 -23.369 -19.032 1.00 3.37 C ATOM 37 1HA GLY A 3 -29.516 -23.067 -18.930 1.00 3.37 H ATOM 38 2HA GLY A 3 -27.841 -22.508 -18.813 1.00 3.37 H ATOM 39 C GLY A 3 -28.229 -23.784 -20.470 1.00 3.37 C ATOM 40 O GLY A 3 -27.815 -22.992 -21.298 1.00 3.37 O ATOM 41 N LEU A 4 -28.464 -25.056 -20.759 1.00-14.36 N ATOM 42 H LEU A 4 -28.831 -25.652 -20.033 1.00-14.36 H ATOM 43 CA LEU A 4 -28.285 -25.617 -22.100 1.00-14.36 C ATOM 44 HA LEU A 4 -27.543 -25.049 -22.663 1.00-14.36 H ATOM 45 C LEU A 4 -29.624 -25.570 -22.826 1.00-14.36 C ATOM 46 O LEU A 4 -29.772 -26.051 -23.942 1.00-14.36 O ATOM 47 CB LEU A 4 -27.870 -27.092 -22.004 1.00-14.36 C ATOM 48 1HB LEU A 4 -28.682 -27.625 -21.508 1.00-14.36 H ATOM 49 2HB LEU A 4 -27.804 -27.480 -23.021 1.00-14.36 H ATOM 50 CG LEU A 4 -26.568 -27.469 -21.287 1.00-14.36 C ATOM 51 HG LEU A 4 -26.615 -27.105 -20.261 1.00-14.36 H ATOM 52 CD1 LEU A 4 -26.443 -28.994 -21.248 1.00-14.36 C ATOM 53 1HD1 LEU A 4 -25.534 -29.290 -20.730 1.00-14.36 H ATOM 54 2HD1 LEU A 4 -26.413 -29.387 -22.268 1.00-14.36 H ATOM 55 3HD1 LEU A 4 -27.305 -29.421 -20.736 1.00-14.36 H ATOM 56 CD2 LEU A 4 -25.332 -26.866 -21.953 1.00-14.36 C ATOM 57 1HD2 LEU A 4 -24.424 -27.223 -21.475 1.00-14.36 H ATOM 58 2HD2 LEU A 4 -25.368 -25.777 -21.885 1.00-14.36 H ATOM 59 3HD2 LEU A 4 -25.307 -27.145 -23.009 1.00-14.36 H ATOM 60 N CYS A 5 -30.630 -25.150 -22.077 1.00 43.07 N ATOM 61 H CYS A 5 -30.452 -24.552 -21.283 1.00 43.07 H ATOM 62 CA CYS A 5 -32.005 -25.559 -22.295 1.00 43.07 C ATOM 63 HA CYS A 5 -32.298 -25.395 -23.333 1.00 43.07 H ATOM 64 C CYS A 5 -32.810 -24.669 -21.346 1.00 43.07 C ATOM 65 O CYS A 5 -32.285 -23.664 -20.867 1.00 43.07 O ATOM 66 CB CYS A 5 -32.130 -27.045 -21.927 1.00 43.07 C ATOM 67 1HB CYS A 5 -31.328 -27.590 -22.427 1.00 43.07 H ATOM 68 2HB CYS A 5 -31.982 -27.152 -20.852 1.00 43.07 H ATOM 69 SG CYS A 5 -33.700 -27.835 -22.397 1.00 43.07 S ATOM 70 N ARG A 6 -34.039 -25.079 -21.045 1.00 20.66 N ATOM 71 H ARG A 6 -34.350 -25.921 -21.513 1.00 20.66 H ATOM 72 CA ARG A 6 -34.987 -24.477 -20.088 1.00 20.66 C ATOM 73 HA ARG A 6 -35.834 -25.154 -20.042 1.00 20.66 H ATOM 74 C ARG A 6 -35.575 -23.117 -20.433 1.00 20.66 C ATOM 75 O ARG A 6 -36.783 -22.924 -20.244 1.00 20.66 O ATOM 76 CB ARG A 6 -34.405 -24.378 -18.669 1.00 20.66 C ATOM 77 1HB ARG A 6 -33.587 -23.658 -18.674 1.00 20.66 H ATOM 78 2HB ARG A 6 -35.188 -23.975 -18.028 1.00 20.66 H ATOM 79 CG ARG A 6 -33.886 -25.680 -18.054 1.00 20.66 C ATOM 80 1HG ARG A 6 -34.688 -26.417 -18.024 1.00 20.66 H ATOM 81 2HG ARG A 6 -33.063 -26.067 -18.654 1.00 20.66 H ATOM 82 CD ARG A 6 -33.382 -25.415 -16.636 1.00 20.66 C ATOM 83 1HD ARG A 6 -32.915 -26.319 -16.247 1.00 20.66 H ATOM 84 2HD ARG A 6 -32.638 -24.617 -16.671 1.00 20.66 H ATOM 85 NE ARG A 6 -34.493 -25.015 -15.759 1.00 20.66 N ATOM 86 HE ARG A 6 -35.425 -25.058 -16.159 1.00 20.66 H ATOM 87 CZ ARG A 6 -34.423 -24.580 -14.511 1.00 20.66 C ATOM 88 NH1 ARG A 6 -35.544 -24.268 -13.923 1.00 20.66 N ATOM 89 1HH1 ARG A 6 -36.417 -24.368 -14.431 1.00 20.66 H ATOM 90 2HH1 ARG A 6 -35.547 -23.911 -12.985 1.00 20.66 H ATOM 91 NH2 ARG A 6 -33.303 -24.438 -13.850 1.00 20.66 N ATOM 92 1HH2 ARG A 6 -32.434 -24.666 -14.298 1.00 20.66 H ATOM 93 2HH2 ARG A 6 -33.311 -24.090 -12.907 1.00 20.66 H ATOM 94 N LEU A 7 -34.748 -22.201 -20.910 1.00 -7.26 N ATOM 95 H LEU A 7 -33.769 -22.460 -21.014 1.00 -7.26 H ATOM 96 CA LEU A 7 -35.122 -20.813 -21.188 1.00 -7.26 C ATOM 97 HA LEU A 7 -34.194 -20.256 -21.316 1.00 -7.26 H ATOM 98 C LEU A 7 -35.836 -20.202 -19.973 1.00 -7.26 C ATOM 99 O LEU A 7 -35.180 -19.890 -18.990 1.00 -7.26 O ATOM 100 CB LEU A 7 -35.904 -20.711 -22.512 1.00 -7.26 C ATOM 101 1HB LEU A 7 -35.328 -21.254 -23.262 1.00 -7.26 H ATOM 102 2HB LEU A 7 -36.847 -21.245 -22.396 1.00 -7.26 H ATOM 103 CG LEU A 7 -36.212 -19.321 -23.101 1.00 -7.26 C ATOM 104 HG LEU A 7 -36.809 -18.764 -22.383 1.00 -7.26 H ATOM 105 CD1 LEU A 7 -34.955 -18.511 -23.403 1.00 -7.26 C ATOM 106 1HD1 LEU A 7 -35.227 -17.558 -23.858 1.00 -7.26 H ATOM 107 2HD1 LEU A 7 -34.310 -19.059 -24.094 1.00 -7.26 H ATOM 108 3HD1 LEU A 7 -34.403 -18.309 -22.485 1.00 -7.26 H ATOM 109 CD2 LEU A 7 -37.041 -19.483 -24.370 1.00 -7.26 C ATOM 110 1HD2 LEU A 7 -37.301 -18.502 -24.768 1.00 -7.26 H ATOM 111 2HD2 LEU A 7 -37.960 -20.026 -24.154 1.00 -7.26 H ATOM 112 3HD2 LEU A 7 -36.470 -20.028 -25.126 1.00 -7.26 H ATOM 113 N ARG A 8 -37.156 -20.043 -20.016 1.00 1.80 N ATOM 114 H ARG A 8 -37.643 -20.316 -20.853 1.00 1.80 H ATOM 115 CA ARG A 8 -37.918 -19.463 -18.901 1.00 1.80 C ATOM 116 HA ARG A 8 -37.238 -19.293 -18.064 1.00 1.80 H ATOM 117 C ARG A 8 -39.046 -20.334 -18.348 1.00 1.80 C ATOM 118 O ARG A 8 -39.784 -19.887 -17.482 1.00 1.80 O ATOM 119 CB ARG A 8 -38.468 -18.091 -19.313 1.00 1.80 C ATOM 120 1HB ARG A 8 -39.108 -18.207 -20.188 1.00 1.80 H ATOM 121 2HB ARG A 8 -39.067 -17.693 -18.494 1.00 1.80 H ATOM 122 CG ARG A 8 -37.369 -17.076 -19.620 1.00 1.80 C ATOM 123 1HG ARG A 8 -36.705 -17.007 -18.757 1.00 1.80 H ATOM 124 2HG ARG A 8 -36.792 -17.409 -20.481 1.00 1.80 H ATOM 125 CD ARG A 8 -37.936 -15.700 -19.913 1.00 1.80 C ATOM 126 1HD ARG A 8 -38.615 -15.768 -20.764 1.00 1.80 H ATOM 127 2HD ARG A 8 -38.490 -15.350 -19.040 1.00 1.80 H ATOM 128 NE ARG A 8 -36.856 -14.749 -20.219 1.00 1.80 N ATOM 129 HE ARG A 8 -35.919 -15.117 -20.189 1.00 1.80 H ATOM 130 CZ ARG A 8 -36.999 -13.464 -20.519 1.00 1.80 C ATOM 131 NH1 ARG A 8 -35.932 -12.759 -20.776 1.00 1.80 N ATOM 132 1HH1 ARG A 8 -35.020 -13.181 -20.731 1.00 1.80 H ATOM 133 2HH1 ARG A 8 -36.017 -11.786 -21.015 1.00 1.80 H ATOM 134 NH2 ARG A 8 -38.158 -12.858 -20.577 1.00 1.80 N ATOM 135 1HH2 ARG A 8 -38.998 -13.374 -20.371 1.00 1.80 H ATOM 136 2HH2 ARG A 8 -38.213 -11.883 -20.816 1.00 1.80 H ATOM 137 N ARG A 9 -39.205 -21.563 -18.833 1.00 27.94 N ATOM 138 H ARG A 9 -38.570 -21.904 -19.545 1.00 27.94 H ATOM 139 CA ARG A 9 -40.264 -22.446 -18.301 1.00 27.94 C ATOM 140 HA ARG A 9 -40.387 -22.174 -17.250 1.00 27.94 H ATOM 141 C ARG A 9 -39.950 -23.937 -18.292 1.00 27.94 C ATOM 142 O ARG A 9 -40.831 -24.771 -18.084 1.00 27.94 O ATOM 143 CB ARG A 9 -41.623 -22.170 -18.970 1.00 27.94 C ATOM 144 1HB ARG A 9 -42.389 -22.618 -18.340 1.00 27.94 H ATOM 145 2HB ARG A 9 -41.791 -21.093 -18.962 1.00 27.94 H ATOM 146 CG ARG A 9 -41.857 -22.676 -20.395 1.00 27.94 C ATOM 147 1HG ARG A 9 -41.157 -22.207 -21.086 1.00 27.94 H ATOM 148 2HG ARG A 9 -41.741 -23.759 -20.426 1.00 27.94 H ATOM 149 CD ARG A 9 -43.294 -22.311 -20.768 1.00 27.94 C ATOM 150 1HD ARG A 9 -43.942 -22.635 -19.952 1.00 27.94 H ATOM 151 2HD ARG A 9 -43.379 -21.228 -20.851 1.00 27.94 H ATOM 152 NE ARG A 9 -43.797 -22.940 -21.996 1.00 27.94 N ATOM 153 HE ARG A 9 -44.291 -23.831 -21.876 1.00 27.94 H ATOM 154 CZ ARG A 9 -43.761 -22.450 -23.227 1.00 27.94 C ATOM 155 NH1 ARG A 9 -44.453 -23.053 -24.146 1.00 27.94 N ATOM 156 1HH1 ARG A 9 -45.081 -23.815 -23.858 1.00 27.94 H ATOM 157 2HH1 ARG A 9 -44.427 -22.752 -25.100 1.00 27.94 H ATOM 158 NH2 ARG A 9 -43.082 -21.384 -23.569 1.00 27.94 N ATOM 159 1HH2 ARG A 9 -42.547 -20.897 -22.876 1.00 27.94 H ATOM 160 2HH2 ARG A 9 -43.117 -21.050 -24.515 1.00 27.94 H ATOM 161 N GLY A 10 -38.694 -24.271 -18.531 1.00 19.29 N ATOM 162 H GLY A 10 -38.004 -23.560 -18.729 1.00 19.29 H ATOM 163 CA GLY A 10 -38.256 -25.652 -18.471 1.00 19.29 C ATOM 164 1HA GLY A 10 -39.108 -26.316 -18.609 1.00 19.29 H ATOM 165 2HA GLY A 10 -37.548 -25.849 -19.272 1.00 19.29 H ATOM 166 C GLY A 10 -37.605 -25.986 -17.147 1.00 19.29 C ATOM 167 O GLY A 10 -37.268 -25.097 -16.362 1.00 19.29 O ATOM 168 N PHE A 11 -37.416 -27.272 -16.904 1.00-10.74 N ATOM 169 H PHE A 11 -37.645 -27.941 -17.643 1.00-10.74 H ATOM 170 CA PHE A 11 -36.910 -27.822 -15.650 1.00-10.74 C ATOM 171 HA PHE A 11 -36.280 -27.105 -15.126 1.00-10.74 H ATOM 172 C PHE A 11 -36.080 -29.029 -16.060 1.00-10.74 C ATOM 173 O PHE A 11 -36.023 -29.334 -17.242 1.00-10.74 O ATOM 174 CB PHE A 11 -38.084 -28.230 -14.752 1.00-10.74 C ATOM 175 1HB PHE A 11 -38.744 -28.893 -15.311 1.00-10.74 H ATOM 176 2HB PHE A 11 -37.698 -28.773 -13.890 1.00-10.74 H ATOM 177 CG PHE A 11 -38.876 -27.055 -14.243 1.00-10.74 C ATOM 178 CD1 PHE A 11 -39.948 -26.528 -14.988 1.00-10.74 C ATOM 179 HD1 PHE A 11 -40.248 -27.001 -15.912 1.00-10.74 H ATOM 180 CD2 PHE A 11 -38.516 -26.437 -13.032 1.00-10.74 C ATOM 181 HD2 PHE A 11 -37.707 -26.839 -12.439 1.00-10.74 H ATOM 182 CE1 PHE A 11 -40.617 -25.356 -14.560 1.00-10.74 C ATOM 183 HE1 PHE A 11 -41.404 -24.934 -15.161 1.00-10.74 H ATOM 184 CE2 PHE A 11 -39.197 -25.280 -12.577 1.00-10.74 C ATOM 185 HE2 PHE A 11 -38.916 -24.815 -11.643 1.00-10.74 H ATOM 186 CZ PHE A 11 -40.243 -24.733 -13.351 1.00-10.74 C ATOM 187 HZ PHE A 11 -40.756 -23.843 -13.015 1.00-10.74 H ATOM 188 N CYS A 12 -35.454 -29.721 -15.123 1.00-13.64 N ATOM 189 H CYS A 12 -35.551 -29.472 -14.152 1.00-13.64 H ATOM 190 CA CYS A 12 -34.631 -30.882 -15.449 1.00-13.64 C ATOM 191 HA CYS A 12 -34.666 -31.080 -16.519 1.00-13.64 H ATOM 192 C CYS A 12 -35.156 -32.115 -14.720 1.00-13.64 C ATOM 193 O CYS A 12 -35.912 -31.972 -13.751 1.00-13.64 O ATOM 194 CB CYS A 12 -33.182 -30.591 -15.060 1.00-13.64 C ATOM 195 1HB CYS A 12 -33.119 -30.439 -13.982 1.00-13.64 H ATOM 196 2HB CYS A 12 -32.578 -31.452 -15.325 1.00-13.64 H ATOM 197 SG CYS A 12 -32.515 -29.125 -15.913 1.00-13.64 S ATOM 198 N ALA A 13 -34.760 -33.302 -15.163 1.00 14.91 N ATOM 199 H ALA A 13 -34.176 -33.356 -15.999 1.00 14.91 H ATOM 200 CA ALA A 13 -35.107 -34.558 -14.500 1.00 14.91 C ATOM 201 HA ALA A 13 -35.243 -34.378 -13.433 1.00 14.91 H ATOM 202 C ALA A 13 -33.980 -35.578 -14.695 1.00 14.91 C ATOM 203 O ALA A 13 -33.505 -35.758 -15.811 1.00 14.91 O ATOM 204 CB ALA A 13 -36.398 -35.100 -15.095 1.00 14.91 C ATOM 205 1HB ALA A 13 -37.173 -34.338 -15.074 1.00 14.91 H ATOM 206 2HB ALA A 13 -36.727 -35.971 -14.527 1.00 14.91 H ATOM 207 3HB ALA A 13 -36.227 -35.399 -16.132 1.00 14.91 H ATOM 208 N ARG A 14 -33.529 -36.242 -13.639 1.00-13.52 N ATOM 209 H ARG A 14 -33.946 -36.098 -12.733 1.00-13.52 H ATOM 210 CA ARG A 14 -32.465 -37.240 -13.792 1.00-13.52 C ATOM 211 HA ARG A 14 -31.674 -36.833 -14.418 1.00-13.52 H ATOM 212 C ARG A 14 -33.079 -38.444 -14.492 1.00-13.52 C ATOM 213 O ARG A 14 -34.146 -38.899 -14.097 1.00-13.52 O ATOM 214 CB ARG A 14 -31.883 -37.644 -12.433 1.00-13.52 C ATOM 215 1HB ARG A 14 -31.572 -36.740 -11.910 1.00-13.52 H ATOM 216 2HB ARG A 14 -32.663 -38.135 -11.849 1.00-13.52 H ATOM 217 CG ARG A 14 -30.683 -38.588 -12.531 1.00-13.52 C ATOM 218 1HG ARG A 14 -30.990 -39.510 -13.025 1.00-13.52 H ATOM 219 2HG ARG A 14 -29.903 -38.110 -13.124 1.00-13.52 H ATOM 220 CD ARG A 14 -30.128 -38.937 -11.157 1.00-13.52 C ATOM 221 1HD ARG A 14 -29.823 -38.019 -10.652 1.00-13.52 H ATOM 222 2HD ARG A 14 -30.915 -39.419 -10.573 1.00-13.52 H ATOM 223 NE ARG A 14 -28.976 -39.848 -11.260 1.00-13.52 N ATOM 224 HE ARG A 14 -28.726 -40.148 -12.189 1.00-13.52 H ATOM 225 CZ ARG A 14 -28.251 -40.320 -10.252 1.00-13.52 C ATOM 226 NH1 ARG A 14 -27.262 -41.128 -10.514 1.00-13.52 N ATOM 227 1HH1 ARG A 14 -27.060 -41.398 -11.462 1.00-13.52 H ATOM 228 2HH1 ARG A 14 -26.698 -41.495 -9.766 1.00-13.52 H ATOM 229 NH2 ARG A 14 -28.470 -40.016 -8.997 1.00-13.52 N ATOM 230 1HH2 ARG A 14 -29.229 -39.402 -8.759 1.00-13.52 H ATOM 231 2HH2 ARG A 14 -27.888 -40.400 -8.272 1.00-13.52 H ATOM 232 N GLY A 15 -32.416 -38.962 -15.515 1.00 3.80 N ATOM 233 H GLY A 15 -31.536 -38.554 -15.813 1.00 3.80 H ATOM 234 CA GLY A 15 -32.918 -40.127 -16.230 1.00 3.80 C ATOM 235 1HA GLY A 15 -32.097 -40.559 -16.801 1.00 3.80 H ATOM 236 2HA GLY A 15 -33.238 -40.868 -15.497 1.00 3.80 H ATOM 237 C GLY A 15 -34.077 -39.892 -17.183 1.00 3.80 C ATOM 238 O GLY A 15 -33.905 -40.072 -18.387 1.00 3.80 O ATOM 239 N ARG A 16 -35.246 -39.516 -16.675 1.00-15.08 N ATOM 240 H ARG A 16 -35.314 -39.342 -15.672 1.00-15.08 H ATOM 241 CA ARG A 16 -36.453 -39.340 -17.491 1.00-15.08 C ATOM 242 HA ARG A 16 -36.167 -39.193 -18.530 1.00-15.08 H ATOM 243 C ARG A 16 -37.304 -38.154 -17.062 1.00-15.08 C ATOM 244 O ARG A 16 -37.587 -37.976 -15.881 1.00-15.08 O ATOM 245 CB ARG A 16 -37.355 -40.576 -17.395 1.00-15.08 C ATOM 246 1HB ARG A 16 -37.579 -40.762 -16.344 1.00-15.08 H ATOM 247 2HB ARG A 16 -38.292 -40.348 -17.905 1.00-15.08 H ATOM 248 CG ARG A 16 -36.785 -41.844 -18.012 1.00-15.08 C ATOM 249 1HG ARG A 16 -36.584 -41.664 -19.067 1.00-15.08 H ATOM 250 2HG ARG A 16 -35.856 -42.114 -17.511 1.00-15.08 H ATOM 251 CD ARG A 16 -37.775 -42.993 -17.874 1.00-15.08 C ATOM 252 1HD ARG A 16 -37.974 -43.151 -16.813 1.00-15.08 H ATOM 253 2HD ARG A 16 -38.711 -42.721 -18.364 1.00-15.08 H ATOM 254 NE ARG A 16 -37.256 -44.241 -18.457 1.00-15.08 N ATOM 255 HE ARG A 16 -36.730 -44.832 -17.834 1.00-15.08 H ATOM 256 CZ ARG A 16 -37.423 -44.662 -19.705 1.00-15.08 C ATOM 257 NH1 ARG A 16 -36.891 -45.797 -20.061 1.00-15.08 N ATOM 258 1HH1 ARG A 16 -36.356 -46.336 -19.401 1.00-15.08 H ATOM 259 2HH1 ARG A 16 -37.010 -46.138 -20.999 1.00-15.08 H ATOM 260 NH2 ARG A 16 -38.093 -44.000 -20.614 1.00-15.08 N ATOM 261 1HH2 ARG A 16 -38.516 -43.120 -20.371 1.00-15.08 H ATOM 262 2HH2 ARG A 16 -38.191 -44.367 -21.545 1.00-15.08 H ATOM 263 N CYS A 17 -37.763 -37.397 -18.043 1.00 -2.80 N ATOM 264 H CYS A 17 -37.397 -37.534 -18.981 1.00 -2.80 H ATOM 265 CA CYS A 17 -38.818 -36.406 -17.860 1.00 -2.80 C ATOM 266 HA CYS A 17 -38.586 -35.781 -16.999 1.00 -2.80 H ATOM 267 C CYS A 17 -40.170 -37.082 -17.602 1.00 -2.80 C ATOM 268 O CYS A 17 -40.284 -38.306 -17.623 1.00 -2.80 O ATOM 269 CB CYS A 17 -38.871 -35.521 -19.098 1.00 -2.80 C ATOM 270 1HB CYS A 17 -38.948 -36.158 -19.978 1.00 -2.80 H ATOM 271 2HB CYS A 17 -39.748 -34.894 -19.054 1.00 -2.80 H ATOM 272 SG CYS A 17 -37.421 -34.436 -19.252 1.00 -2.80 S ATOM 273 N ARG A 18 -41.187 -36.286 -17.294 1.00 -0.59 N ATOM 274 H ARG A 18 -41.238 -35.358 -17.710 1.00 -0.59 H ATOM 275 CA ARG A 18 -42.262 -36.697 -16.385 1.00 -0.59 C ATOM 276 HA ARG A 18 -42.183 -37.764 -16.166 1.00 -0.59 H ATOM 277 C ARG A 18 -43.599 -36.400 -17.043 1.00 -0.59 C ATOM 278 O ARG A 18 -43.642 -35.567 -17.926 1.00 -0.59 O ATOM 279 CB ARG A 18 -42.162 -35.875 -15.094 1.00 -0.59 C ATOM 280 1HB ARG A 18 -42.299 -34.829 -15.363 1.00 -0.59 H ATOM 281 2HB ARG A 18 -42.979 -36.166 -14.437 1.00 -0.59 H ATOM 282 CG ARG A 18 -40.858 -36.008 -14.305 1.00 -0.59 C ATOM 283 1HG ARG A 18 -40.777 -37.027 -13.927 1.00 -0.59 H ATOM 284 2HG ARG A 18 -40.002 -35.797 -14.944 1.00 -0.59 H ATOM 285 CD ARG A 18 -40.849 -35.026 -13.131 1.00 -0.59 C ATOM 286 1HD ARG A 18 -41.785 -35.127 -12.581 1.00 -0.59 H ATOM 287 2HD ARG A 18 -40.030 -35.286 -12.461 1.00 -0.59 H ATOM 288 NE ARG A 18 -40.695 -33.631 -13.586 1.00 -0.59 N ATOM 289 HE ARG A 18 -41.517 -33.183 -13.965 1.00 -0.59 H ATOM 290 CZ ARG A 18 -39.578 -32.913 -13.571 1.00 -0.59 C ATOM 291 NH1 ARG A 18 -39.577 -31.752 -14.159 1.00 -0.59 N ATOM 292 1HH1 ARG A 18 -40.413 -31.420 -14.618 1.00 -0.59 H ATOM 293 2HH1 ARG A 18 -38.739 -31.199 -14.155 1.00 -0.59 H ATOM 294 NH2 ARG A 18 -38.470 -33.294 -12.991 1.00 -0.59 N ATOM 295 1HH2 ARG A 18 -38.447 -34.157 -12.479 1.00 -0.59 H ATOM 296 2HH2 ARG A 18 -37.629 -32.727 -13.073 1.00 -0.59 H ATOM 297 N PHE A 19 -44.699 -36.971 -16.576 1.00-14.07 N ATOM 298 H PHE A 19 -44.645 -37.656 -15.842 1.00-14.07 H ATOM 299 CA PHE A 19 -46.016 -36.597 -17.115 1.00-14.07 C ATOM 300 HA PHE A 19 -46.030 -36.897 -18.164 1.00-14.07 H ATOM 301 C PHE A 19 -46.325 -35.082 -17.115 1.00-14.07 C ATOM 302 O PHE A 19 -46.685 -34.552 -18.160 1.00-14.07 O ATOM 303 CB PHE A 19 -47.125 -37.379 -16.400 1.00-14.07 C ATOM 304 1HB PHE A 19 -46.927 -38.445 -16.512 1.00-14.07 H ATOM 305 2HB PHE A 19 -47.107 -37.139 -15.339 1.00-14.07 H ATOM 306 CG PHE A 19 -48.501 -37.083 -16.929 1.00-14.07 C ATOM 307 CD1 PHE A 19 -48.965 -37.712 -18.098 1.00-14.07 C ATOM 308 HD1 PHE A 19 -48.335 -38.419 -18.617 1.00-14.07 H ATOM 309 CD2 PHE A 19 -49.336 -36.164 -16.266 1.00-14.07 C ATOM 310 HD2 PHE A 19 -48.996 -35.677 -15.364 1.00-14.07 H ATOM 311 CE1 PHE A 19 -50.252 -37.419 -18.616 1.00-14.07 C ATOM 312 HE1 PHE A 19 -50.596 -37.902 -19.519 1.00-14.07 H ATOM 313 CE2 PHE A 19 -50.623 -35.856 -16.774 1.00-14.07 C ATOM 314 HE2 PHE A 19 -51.255 -35.149 -16.258 1.00-14.07 H ATOM 315 CZ PHE A 19 -51.080 -36.484 -17.954 1.00-14.07 C ATOM 316 HZ PHE A 19 -52.060 -36.253 -18.348 1.00-14.07 H ATOM 317 N PRO A 20 -46.129 -34.342 -16.000 1.00 26.27 N ATOM 318 CA PRO A 20 -46.356 -32.895 -16.157 1.00 26.27 C ATOM 319 HA PRO A 20 -47.275 -32.709 -16.713 1.00 26.27 H ATOM 320 C PRO A 20 -45.205 -32.112 -16.810 1.00 26.27 C ATOM 321 O PRO A 20 -45.188 -30.874 -16.777 1.00 26.27 O ATOM 322 CB PRO A 20 -46.542 -32.441 -14.708 1.00 26.27 C ATOM 323 1HB PRO A 20 -46.294 -31.388 -14.581 1.00 26.27 H ATOM 324 2HB PRO A 20 -47.565 -32.627 -14.378 1.00 26.27 H ATOM 325 CG PRO A 20 -45.602 -33.296 -13.965 1.00 26.27 C ATOM 326 1HG PRO A 20 -44.581 -32.937 -14.099 1.00 26.27 H ATOM 327 2HG PRO A 20 -45.860 -33.326 -12.906 1.00 26.27 H ATOM 328 CD PRO A 20 -45.778 -34.650 -14.597 1.00 26.27 C ATOM 329 1HD PRO A 20 -44.858 -35.220 -14.533 1.00 26.27 H ATOM 330 2HD PRO A 20 -46.598 -35.186 -14.117 1.00 26.27 H ATOM 331 N SER A 21 -44.208 -32.793 -17.361 1.00 30.87 N ATOM 332 H SER A 21 -44.260 -33.806 -17.447 1.00 30.87 H ATOM 333 CA SER A 21 -43.019 -32.142 -17.902 1.00 30.87 C ATOM 334 HA SER A 21 -43.276 -31.118 -18.162 1.00 30.87 H ATOM 335 C SER A 21 -42.493 -32.833 -19.162 1.00 30.87 C ATOM 336 O SER A 21 -41.725 -33.785 -19.063 1.00 30.87 O ATOM 337 CB SER A 21 -41.916 -32.123 -16.841 1.00 30.87 C ATOM 338 1HB SER A 21 -41.526 -33.132 -16.706 1.00 30.87 H ATOM 339 2HB SER A 21 -41.111 -31.475 -17.181 1.00 30.87 H ATOM 340 OG SER A 21 -42.404 -31.658 -15.591 1.00 30.87 O ATOM 341 HG SER A 21 -43.162 -31.084 -15.774 1.00 30.87 H ATOM 342 N ILE A 22 -42.922 -32.372 -20.328 1.00 -6.21 N ATOM 343 H ILE A 22 -43.492 -31.542 -20.345 1.00 -6.21 H ATOM 344 CA ILE A 22 -42.606 -33.008 -21.614 1.00 -6.21 C ATOM 345 HA ILE A 22 -42.915 -34.051 -21.577 1.00 -6.21 H ATOM 346 C ILE A 22 -41.096 -32.920 -21.880 1.00 -6.21 C ATOM 347 O ILE A 22 -40.532 -31.838 -21.732 1.00 -6.21 O ATOM 348 CB ILE A 22 -43.373 -32.280 -22.773 1.00 -6.21 C ATOM 349 HB ILE A 22 -43.058 -31.236 -22.786 1.00 -6.21 H ATOM 350 CG1 ILE A 22 -44.895 -32.324 -22.516 1.00 -6.21 C ATOM 351 1HG1 ILE A 22 -45.230 -33.358 -22.595 1.00 -6.21 H ATOM 352 2HG1 ILE A 22 -45.096 -31.986 -21.503 1.00 -6.21 H ATOM 353 CG2 ILE A 22 -43.057 -32.906 -24.159 1.00 -6.21 C ATOM 354 1HG2 ILE A 22 -43.567 -32.361 -24.951 1.00 -6.21 H ATOM 355 2HG2 ILE A 22 -43.370 -33.951 -24.184 1.00 -6.21 H ATOM 356 3HG2 ILE A 22 -41.988 -32.849 -24.365 1.00 -6.21 H ATOM 357 CD1 ILE A 22 -45.753 -31.460 -23.457 1.00 -6.21 C ATOM 358 1HD1 ILE A 22 -46.788 -31.476 -23.115 1.00 -6.21 H ATOM 359 2HD1 ILE A 22 -45.716 -31.851 -24.473 1.00 -6.21 H ATOM 360 3HD1 ILE A 22 -45.392 -30.431 -23.444 1.00 -6.21 H ATOM 361 N PRO A 23 -40.422 -34.021 -22.277 1.00 0.76 N ATOM 362 CA PRO A 23 -38.986 -33.840 -22.545 1.00 0.76 C ATOM 363 HA PRO A 23 -38.482 -33.468 -21.657 1.00 0.76 H ATOM 364 C PRO A 23 -38.704 -32.896 -23.708 1.00 0.76 C ATOM 365 O PRO A 23 -39.459 -32.838 -24.676 1.00 0.76 O ATOM 366 CB PRO A 23 -38.508 -35.260 -22.867 1.00 0.76 C ATOM 367 1HB PRO A 23 -37.706 -35.245 -23.604 1.00 0.76 H ATOM 368 2HB PRO A 23 -38.177 -35.762 -21.961 1.00 0.76 H ATOM 369 CG PRO A 23 -39.719 -35.936 -23.401 1.00 0.76 C ATOM 370 1HG PRO A 23 -39.887 -35.637 -24.436 1.00 0.76 H ATOM 371 2HG PRO A 23 -39.629 -37.019 -23.322 1.00 0.76 H ATOM 372 CD PRO A 23 -40.828 -35.419 -22.521 1.00 0.76 C ATOM 373 1HD PRO A 23 -41.783 -35.469 -23.044 1.00 0.76 H ATOM 374 2HD PRO A 23 -40.868 -35.971 -21.581 1.00 0.76 H ATOM 375 N ILE A 24 -37.637 -32.118 -23.583 1.00 6.15 N ATOM 376 H ILE A 24 -37.068 -32.185 -22.744 1.00 6.15 H ATOM 377 CA ILE A 24 -37.318 -31.089 -24.573 1.00 6.15 C ATOM 378 HA ILE A 24 -37.797 -31.375 -25.508 1.00 6.15 H ATOM 379 C ILE A 24 -35.814 -30.961 -24.874 1.00 6.15 C ATOM 380 O ILE A 24 -35.400 -30.190 -25.734 1.00 6.15 O ATOM 381 CB ILE A 24 -37.978 -29.749 -24.095 1.00 6.15 C ATOM 382 HB ILE A 24 -38.895 -30.017 -23.570 1.00 6.15 H ATOM 383 CG1 ILE A 24 -38.397 -28.851 -25.272 1.00 6.15 C ATOM 384 1HG1 ILE A 24 -38.599 -27.854 -24.881 1.00 6.15 H ATOM 385 2HG1 ILE A 24 -37.571 -28.774 -25.978 1.00 6.15 H ATOM 386 CG2 ILE A 24 -37.094 -28.986 -23.099 1.00 6.15 C ATOM 387 1HG2 ILE A 24 -37.658 -28.164 -22.661 1.00 6.15 H ATOM 388 2HG2 ILE A 24 -36.220 -28.584 -23.613 1.00 6.15 H ATOM 389 3HG2 ILE A 24 -36.767 -29.651 -22.303 1.00 6.15 H ATOM 390 CD1 ILE A 24 -39.652 -29.325 -26.021 1.00 6.15 C ATOM 391 1HD1 ILE A 24 -39.903 -28.605 -26.798 1.00 6.15 H ATOM 392 2HD1 ILE A 24 -40.488 -29.415 -25.326 1.00 6.15 H ATOM 393 3HD1 ILE A 24 -39.467 -30.295 -26.485 1.00 6.15 H ATOM 394 N GLY A 25 -34.972 -31.724 -24.186 1.00 7.94 N ATOM 395 H GLY A 25 -35.309 -32.368 -23.486 1.00 7.94 H ATOM 396 CA GLY A 25 -33.536 -31.637 -24.413 1.00 7.94 C ATOM 397 1HA GLY A 25 -33.296 -32.070 -25.384 1.00 7.94 H ATOM 398 2HA GLY A 25 -33.246 -30.586 -24.421 1.00 7.94 H ATOM 399 C GLY A 25 -32.739 -32.353 -23.340 1.00 7.94 C ATOM 400 O GLY A 25 -33.265 -33.247 -22.672 1.00 7.94 O ATOM 401 N ARG A 26 -31.495 -31.945 -23.118 1.00 -4.49 N ATOM 402 H ARG A 26 -31.113 -31.187 -23.672 1.00 -4.49 H ATOM 403 CA ARG A 26 -30.677 -32.468 -22.015 1.00 -4.49 C ATOM 404 HA ARG A 26 -31.269 -33.147 -21.407 1.00 -4.49 H ATOM 405 C ARG A 26 -30.262 -31.307 -21.133 1.00 -4.49 C ATOM 406 O ARG A 26 -30.157 -30.176 -21.584 1.00 -4.49 O ATOM 407 CB ARG A 26 -29.435 -33.219 -22.503 1.00 -4.49 C ATOM 408 1HB ARG A 26 -28.894 -32.594 -23.214 1.00 -4.49 H ATOM 409 2HB ARG A 26 -28.788 -33.399 -21.645 1.00 -4.49 H ATOM 410 CG ARG A 26 -29.741 -34.567 -23.138 1.00 -4.49 C ATOM 411 1HG ARG A 26 -30.300 -35.175 -22.426 1.00 -4.49 H ATOM 412 2HG ARG A 26 -30.346 -34.418 -24.032 1.00 -4.49 H ATOM 413 CD ARG A 26 -28.453 -35.294 -23.512 1.00 -4.49 C ATOM 414 1HD ARG A 26 -27.882 -34.659 -24.192 1.00 -4.49 H ATOM 415 2HD ARG A 26 -27.857 -35.462 -22.614 1.00 -4.49 H ATOM 416 NE ARG A 26 -28.730 -36.578 -24.178 1.00 -4.49 N ATOM 417 HE ARG A 26 -28.844 -36.540 -25.179 1.00 -4.49 H ATOM 418 CZ ARG A 26 -28.843 -37.767 -23.598 1.00 -4.49 C ATOM 419 NH1 ARG A 26 -29.189 -38.786 -24.333 1.00 -4.49 N ATOM 420 1HH1 ARG A 26 -29.380 -38.667 -25.313 1.00 -4.49 H ATOM 421 2HH1 ARG A 26 -29.261 -39.702 -23.922 1.00 -4.49 H ATOM 422 NH2 ARG A 26 -28.610 -37.996 -22.331 1.00 -4.49 N ATOM 423 1HH2 ARG A 26 -28.279 -37.256 -21.730 1.00 -4.49 H ATOM 424 2HH2 ARG A 26 -28.729 -38.917 -21.948 1.00 -4.49 H ATOM 425 N CYS A 27 -30.064 -31.616 -19.865 1.00 25.66 N ATOM 426 H CYS A 27 -30.181 -32.584 -19.580 1.00 25.66 H ATOM 427 CA CYS A 27 -29.719 -30.640 -18.840 1.00 25.66 C ATOM 428 HA CYS A 27 -29.748 -29.632 -19.253 1.00 25.66 H ATOM 429 C CYS A 27 -28.308 -30.923 -18.322 1.00 25.66 C ATOM 430 O CYS A 27 -27.579 -30.009 -17.937 1.00 25.66 O ATOM 431 CB CYS A 27 -30.761 -30.763 -17.729 1.00 25.66 C ATOM 432 1HB CYS A 27 -31.743 -30.606 -18.174 1.00 25.66 H ATOM 433 2HB CYS A 27 -30.735 -31.779 -17.343 1.00 25.66 H ATOM 434 SG CYS A 27 -30.591 -29.618 -16.328 1.00 25.66 S ATOM 435 N SER A 28 -27.900 -32.183 -18.373 1.00 28.21 N ATOM 436 H SER A 28 -28.539 -32.909 -18.690 1.00 28.21 H ATOM 437 CA SER A 28 -26.536 -32.612 -18.065 1.00 28.21 C ATOM 438 HA SER A 28 -25.811 -31.910 -18.476 1.00 28.21 H ATOM 439 C SER A 28 -26.445 -33.953 -18.786 1.00 28.21 C ATOM 440 O SER A 28 -27.421 -34.353 -19.415 1.00 28.21 O ATOM 441 CB SER A 28 -26.310 -32.772 -16.558 1.00 28.21 C ATOM 442 1HB SER A 28 -26.587 -31.844 -16.057 1.00 28.21 H ATOM 443 2HB SER A 28 -26.937 -33.578 -16.184 1.00 28.21 H ATOM 444 OG SER A 28 -24.952 -33.066 -16.268 1.00 28.21 O ATOM 445 HG SER A 28 -24.834 -33.064 -15.310 1.00 28.21 H ATOM 446 N ARG A 29 -25.331 -34.668 -18.689 1.00-12.62 N ATOM 447 H ARG A 29 -24.580 -34.319 -18.105 1.00-12.62 H ATOM 448 CA ARG A 29 -25.158 -35.935 -19.415 1.00-12.62 C ATOM 449 HA ARG A 29 -25.247 -35.734 -20.484 1.00-12.62 H ATOM 450 C ARG A 29 -26.220 -36.982 -19.079 1.00-12.62 C ATOM 451 O ARG A 29 -26.739 -37.649 -19.968 1.00-12.62 O ATOM 452 CB ARG A 29 -23.757 -36.495 -19.133 1.00-12.62 C ATOM 453 1HB ARG A 29 -23.028 -35.711 -19.339 1.00-12.62 H ATOM 454 2HB ARG A 29 -23.688 -36.755 -18.076 1.00-12.62 H ATOM 455 CG ARG A 29 -23.382 -37.726 -19.957 1.00-12.62 C ATOM 456 1HG ARG A 29 -24.057 -38.545 -19.707 1.00-12.62 H ATOM 457 2HG ARG A 29 -23.480 -37.493 -21.017 1.00-12.62 H ATOM 458 CD ARG A 29 -21.950 -38.160 -19.673 1.00-12.62 C ATOM 459 1HD ARG A 29 -21.275 -37.343 -19.932 1.00-12.62 H ATOM 460 2HD ARG A 29 -21.853 -38.374 -18.609 1.00-12.62 H ATOM 461 NE ARG A 29 -21.583 -39.360 -20.442 1.00-12.62 N ATOM 462 HE ARG A 29 -22.293 -39.735 -21.049 1.00-12.62 H ATOM 463 CZ ARG A 29 -20.418 -39.995 -20.403 1.00-12.62 C ATOM 464 NH1 ARG A 29 -20.260 -41.062 -21.136 1.00-12.62 N ATOM 465 1HH1 ARG A 29 -21.005 -41.391 -21.727 1.00-12.62 H ATOM 466 2HH1 ARG A 29 -19.386 -41.559 -21.121 1.00-12.62 H ATOM 467 NH2 ARG A 29 -19.409 -39.617 -19.659 1.00-12.62 N ATOM 468 1HH2 ARG A 29 -19.495 -38.797 -19.083 1.00-12.62 H ATOM 469 2HH2 ARG A 29 -18.550 -40.140 -19.662 1.00-12.62 H ATOM 470 N PHE A 30 -26.557 -37.100 -17.804 1.00 -9.06 N ATOM 471 H PHE A 30 -26.124 -36.493 -17.130 1.00 -9.06 H ATOM 472 CA PHE A 30 -27.501 -38.117 -17.329 1.00 -9.06 C ATOM 473 HA PHE A 30 -27.728 -38.809 -18.140 1.00 -9.06 H ATOM 474 C PHE A 30 -28.813 -37.501 -16.848 1.00 -9.06 C ATOM 475 O PHE A 30 -29.589 -38.117 -16.113 1.00 -9.06 O ATOM 476 CB PHE A 30 -26.847 -38.901 -16.189 1.00 -9.06 C ATOM 477 1HB PHE A 30 -26.723 -38.238 -15.333 1.00 -9.06 H ATOM 478 2HB PHE A 30 -27.509 -39.717 -15.901 1.00 -9.06 H ATOM 479 CG PHE A 30 -25.504 -39.477 -16.551 1.00 -9.06 C ATOM 480 CD1 PHE A 30 -24.326 -38.957 -15.981 1.00 -9.06 C ATOM 481 HD1 PHE A 30 -24.381 -38.131 -15.285 1.00 -9.06 H ATOM 482 CD2 PHE A 30 -25.410 -40.551 -17.454 1.00 -9.06 C ATOM 483 HD2 PHE A 30 -26.305 -40.962 -17.899 1.00 -9.06 H ATOM 484 CE1 PHE A 30 -23.060 -39.513 -16.295 1.00 -9.06 C ATOM 485 HE1 PHE A 30 -22.165 -39.115 -15.839 1.00 -9.06 H ATOM 486 CE2 PHE A 30 -24.151 -41.116 -17.782 1.00 -9.06 C ATOM 487 HE2 PHE A 30 -24.095 -41.949 -18.468 1.00 -9.06 H ATOM 488 CZ PHE A 30 -22.974 -40.600 -17.195 1.00 -9.06 C ATOM 489 HZ PHE A 30 -22.015 -41.041 -17.425 1.00 -9.06 H ATOM 490 N VAL A 31 -29.033 -36.249 -17.219 1.00 15.46 N ATOM 491 H VAL A 31 -28.405 -35.791 -17.868 1.00 15.46 H ATOM 492 CA VAL A 31 -30.183 -35.492 -16.730 1.00 15.46 C ATOM 493 HA VAL A 31 -30.880 -36.162 -16.235 1.00 15.46 H ATOM 494 C VAL A 31 -30.862 -34.902 -17.957 1.00 15.46 C ATOM 495 O VAL A 31 -30.236 -34.179 -18.731 1.00 15.46 O ATOM 496 CB VAL A 31 -29.742 -34.390 -15.718 1.00 15.46 C ATOM 497 HB VAL A 31 -29.115 -33.675 -16.244 1.00 15.46 H ATOM 498 CG1 VAL A 31 -30.929 -33.646 -15.129 1.00 15.46 C ATOM 499 1HG1 VAL A 31 -30.576 -32.796 -14.543 1.00 15.46 H ATOM 500 2HG1 VAL A 31 -31.509 -34.306 -14.487 1.00 15.46 H ATOM 501 3HG1 VAL A 31 -31.570 -33.277 -15.926 1.00 15.46 H ATOM 502 CG2 VAL A 31 -28.918 -34.993 -14.559 1.00 15.46 C ATOM 503 1HG2 VAL A 31 -28.670 -34.213 -13.836 1.00 15.46 H ATOM 504 2HG2 VAL A 31 -27.989 -35.417 -14.934 1.00 15.46 H ATOM 505 3HG2 VAL A 31 -29.490 -35.773 -14.057 1.00 15.46 H ATOM 506 N GLN A 32 -32.122 -35.236 -18.170 1.00 -9.00 N ATOM 507 H GLN A 32 -32.616 -35.801 -17.483 1.00 -9.00 H ATOM 508 CA GLN A 32 -32.880 -34.721 -19.299 1.00 -9.00 C ATOM 509 HA GLN A 32 -32.246 -34.668 -20.183 1.00 -9.00 H ATOM 510 C GLN A 32 -33.349 -33.321 -18.926 1.00 -9.00 C ATOM 511 O GLN A 32 -33.393 -32.956 -17.749 1.00 -9.00 O ATOM 512 CB GLN A 32 -34.088 -35.611 -19.604 1.00 -9.00 C ATOM 513 1HB GLN A 32 -34.721 -35.663 -18.718 1.00 -9.00 H ATOM 514 2HB GLN A 32 -34.654 -35.146 -20.411 1.00 -9.00 H ATOM 515 CG GLN A 32 -33.722 -37.027 -20.034 1.00 -9.00 C ATOM 516 1HG GLN A 32 -32.973 -36.970 -20.823 1.00 -9.00 H ATOM 517 2HG GLN A 32 -33.294 -37.562 -19.188 1.00 -9.00 H ATOM 518 CD GLN A 32 -34.911 -37.811 -20.567 1.00 -9.00 C ATOM 519 OE1 GLN A 32 -36.064 -37.461 -20.360 1.00 -9.00 O ATOM 520 NE2 GLN A 32 -34.639 -38.869 -21.279 1.00 -9.00 N ATOM 521 1HE2 GLN A 32 -35.402 -39.369 -21.695 1.00 -9.00 H ATOM 522 2HE2 GLN A 32 -33.690 -39.184 -21.372 1.00 -9.00 H ATOM 523 N CYS A 33 -33.715 -32.547 -19.930 1.00 -0.50 N ATOM 524 H CYS A 33 -33.685 -32.911 -20.882 1.00 -0.50 H ATOM 525 CA CYS A 33 -34.297 -31.229 -19.750 1.00 -0.50 C ATOM 526 HA CYS A 33 -34.303 -30.922 -18.705 1.00 -0.50 H ATOM 527 C CYS A 33 -35.714 -31.409 -20.249 1.00 -0.50 C ATOM 528 O CYS A 33 -35.936 -32.062 -21.272 1.00 -0.50 O ATOM 529 CB CYS A 33 -33.582 -30.197 -20.612 1.00 -0.50 C ATOM 530 1HB CYS A 33 -32.553 -30.094 -20.277 1.00 -0.50 H ATOM 531 2HB CYS A 33 -33.579 -30.564 -21.634 1.00 -0.50 H ATOM 532 SG CYS A 33 -34.370 -28.563 -20.629 1.00 -0.50 S ATOM 533 N CYS A 34 -36.658 -30.844 -19.523 1.00 -6.11 N ATOM 534 H CYS A 34 -36.403 -30.264 -18.726 1.00 -6.11 H ATOM 535 CA CYS A 34 -38.069 -30.989 -19.813 1.00 -6.11 C ATOM 536 HA CYS A 34 -38.214 -31.524 -20.748 1.00 -6.11 H ATOM 537 C CYS A 34 -38.647 -29.589 -19.908 1.00 -6.11 C ATOM 538 O CYS A 34 -38.155 -28.674 -19.255 1.00 -6.11 O ATOM 539 CB CYS A 34 -38.746 -31.734 -18.664 1.00 -6.11 C ATOM 540 1HB CYS A 34 -39.011 -30.995 -17.908 1.00 -6.11 H ATOM 541 2HB CYS A 34 -39.667 -32.184 -19.034 1.00 -6.11 H ATOM 542 SG CYS A 34 -37.722 -33.003 -17.847 1.00 -6.11 S ATOM 543 N ARG A 35 -39.718 -29.414 -20.657 1.00 -1.88 N ATOM 544 H ARG A 35 -40.081 -30.210 -21.187 1.00 -1.88 H ATOM 545 CA ARG A 35 -40.503 -28.187 -20.632 1.00 -1.88 C ATOM 546 HA ARG A 35 -39.898 -27.336 -20.331 1.00 -1.88 H ATOM 547 C ARG A 35 -41.554 -28.526 -19.581 1.00 -1.88 C ATOM 548 O ARG A 35 -41.653 -29.682 -19.190 1.00 -1.88 O ATOM 549 CB ARG A 35 -41.123 -27.960 -22.014 1.00 -1.88 C ATOM 550 1HB ARG A 35 -40.370 -28.198 -22.763 1.00 -1.88 H ATOM 551 2HB ARG A 35 -41.949 -28.659 -22.142 1.00 -1.88 H ATOM 552 CG ARG A 35 -41.603 -26.538 -22.285 1.00 -1.88 C ATOM 553 1HG ARG A 35 -42.270 -26.205 -21.492 1.00 -1.88 H ATOM 554 2HG ARG A 35 -40.735 -25.880 -22.321 1.00 -1.88 H ATOM 555 CD ARG A 35 -42.337 -26.469 -23.612 1.00 -1.88 C ATOM 556 1HD ARG A 35 -42.389 -25.427 -23.931 1.00 -1.88 H ATOM 557 2HD ARG A 35 -41.777 -27.038 -24.354 1.00 -1.88 H ATOM 558 NE ARG A 35 -43.709 -26.989 -23.503 1.00 -1.88 N ATOM 559 HE ARG A 35 -44.115 -27.008 -22.567 1.00 -1.88 H ATOM 560 CZ ARG A 35 -44.486 -27.386 -24.501 1.00 -1.88 C ATOM 561 NH1 ARG A 35 -45.733 -27.676 -24.273 1.00 -1.88 N ATOM 562 1HH1 ARG A 35 -46.129 -27.561 -23.342 1.00 -1.88 H ATOM 563 2HH1 ARG A 35 -46.330 -28.001 -25.006 1.00 -1.88 H ATOM 564 NH2 ARG A 35 -44.062 -27.515 -25.734 1.00 -1.88 N ATOM 565 1HH2 ARG A 35 -43.100 -27.327 -25.947 1.00 -1.88 H ATOM 566 2HH2 ARG A 35 -44.696 -27.813 -26.454 1.00 -1.88 H ATOM 567 N ARG A 36 -42.381 -27.588 -19.152 1.00 2.68 N ATOM 568 H ARG A 36 -42.203 -26.621 -19.377 1.00 2.68 H ATOM 569 CA ARG A 36 -43.656 -27.947 -18.522 1.00 2.68 C ATOM 570 HA ARG A 36 -43.514 -28.686 -17.732 1.00 2.68 H ATOM 571 C ARG A 36 -44.510 -28.559 -19.637 1.00 2.68 C ATOM 572 O ARG A 36 -44.190 -28.430 -20.813 1.00 2.68 O ATOM 573 CB ARG A 36 -44.323 -26.683 -17.967 1.00 2.68 C ATOM 574 1HB ARG A 36 -44.267 -25.916 -18.736 1.00 2.68 H ATOM 575 2HB ARG A 36 -45.372 -26.890 -17.760 1.00 2.68 H ATOM 576 CG ARG A 36 -43.693 -26.140 -16.695 1.00 2.68 C ATOM 577 1HG ARG A 36 -44.051 -26.717 -15.843 1.00 2.68 H ATOM 578 2HG ARG A 36 -42.612 -26.250 -16.759 1.00 2.68 H ATOM 579 CD ARG A 36 -44.008 -24.655 -16.487 1.00 2.68 C ATOM 580 1HD ARG A 36 -43.472 -24.315 -15.601 1.00 2.68 H ATOM 581 2HD ARG A 36 -43.627 -24.106 -17.347 1.00 2.68 H ATOM 582 NE ARG A 36 -45.437 -24.334 -16.327 1.00 2.68 N ATOM 583 HE ARG A 36 -46.085 -25.099 -16.400 1.00 2.68 H ATOM 584 CZ ARG A 36 -45.946 -23.126 -16.112 1.00 2.68 C ATOM 585 NH1 ARG A 36 -47.240 -22.978 -16.065 1.00 2.68 N ATOM 586 1HH1 ARG A 36 -47.852 -23.758 -16.253 1.00 2.68 H ATOM 587 2HH1 ARG A 36 -47.640 -22.077 -15.867 1.00 2.68 H ATOM 588 NH2 ARG A 36 -45.212 -22.056 -15.934 1.00 2.68 N ATOM 589 1HH2 ARG A 36 -44.210 -22.134 -15.949 1.00 2.68 H ATOM 590 2HH2 ARG A 36 -45.645 -21.162 -15.778 1.00 2.68 H ATOM 591 N VAL A 37 -45.653 -29.135 -19.297 1.00 14.70 N ATOM 592 H VAL A 37 -45.843 -29.379 -18.333 1.00 14.70 H ATOM 593 CA VAL A 37 -46.677 -29.391 -20.319 1.00 14.70 C ATOM 594 HA VAL A 37 -46.228 -29.965 -21.125 1.00 14.70 H ATOM 595 C VAL A 37 -47.159 -28.083 -20.950 1.00 14.70 C ATOM 596 O VAL A 37 -47.592 -28.060 -22.095 1.00 14.70 O ATOM 597 CB VAL A 37 -47.892 -30.194 -19.776 1.00 14.70 C ATOM 598 HB VAL A 37 -48.698 -30.129 -20.505 1.00 14.70 H ATOM 599 CG1 VAL A 37 -47.526 -31.666 -19.628 1.00 14.70 C ATOM 600 1HG1 VAL A 37 -48.350 -32.215 -19.169 1.00 14.70 H ATOM 601 2HG1 VAL A 37 -46.635 -31.787 -19.021 1.00 14.70 H ATOM 602 3HG1 VAL A 37 -47.345 -32.098 -20.612 1.00 14.70 H ATOM 603 CG2 VAL A 37 -48.403 -29.635 -18.429 1.00 14.70 C ATOM 604 1HG2 VAL A 37 -49.307 -30.177 -18.144 1.00 14.70 H ATOM 605 2HG2 VAL A 37 -48.664 -28.584 -18.541 1.00 14.70 H ATOM 606 3HG2 VAL A 37 -47.660 -29.762 -17.643 1.00 14.70 H ATOM 607 N TRP A 38 -46.984 -26.987 -20.227 1.00-27.64 N ATOM 608 H TRP A 38 -46.619 -27.081 -19.303 1.00-27.64 H ATOM 609 CA TRP A 38 -47.199 -25.637 -20.738 1.00-27.64 C ATOM 610 HA TRP A 38 -48.129 -25.596 -21.307 1.00-27.64 H ATOM 611 C TRP A 38 -46.029 -25.279 -21.645 1.00-27.64 C ATOM 612 O TRP A 38 -44.885 -25.503 -21.198 1.00-27.64 O ATOM 613 OXT TRP A 38 -46.212 -24.745 -22.748 1.00-27.64 O ATOM 614 CB TRP A 38 -47.228 -24.643 -19.574 1.00-27.64 C ATOM 615 1HB TRP A 38 -46.278 -24.705 -19.051 1.00-27.64 H ATOM 616 2HB TRP A 38 -47.320 -23.635 -19.978 1.00-27.64 H ATOM 617 CG TRP A 38 -48.331 -24.877 -18.572 1.00-27.64 C ATOM 618 CD1 TRP A 38 -48.394 -25.849 -17.614 1.00-27.64 C ATOM 619 HD1 TRP A 38 -47.650 -26.621 -17.482 1.00-27.64 H ATOM 620 CD2 TRP A 38 -49.530 -24.098 -18.400 1.00-27.64 C ATOM 621 NE1 TRP A 38 -49.528 -25.737 -16.859 1.00-27.64 N ATOM 622 HE1 TRP A 38 -49.797 -26.373 -16.118 1.00-27.64 H ATOM 623 CE2 TRP A 38 -50.242 -24.656 -17.298 1.00-27.64 C ATOM 624 CE3 TRP A 38 -50.058 -22.959 -19.041 1.00-27.64 C ATOM 625 HE3 TRP A 38 -49.546 -22.517 -19.884 1.00-27.64 H ATOM 626 CZ2 TRP A 38 -51.450 -24.106 -16.824 1.00-27.64 C ATOM 627 HZ2 TRP A 38 -51.975 -24.551 -15.991 1.00-27.64 H ATOM 628 CZ3 TRP A 38 -51.274 -22.401 -18.566 1.00-27.64 C ATOM 629 HZ3 TRP A 38 -51.694 -21.534 -19.057 1.00-27.64 H ATOM 630 CH2 TRP A 38 -51.956 -22.986 -17.460 1.00-27.64 C ATOM 631 HH2 TRP A 38 -52.886 -22.553 -17.118 1.00-27.64 H TER 632 TRP A 38 CONECT 69 66 532 CONECT 197 194 434 CONECT 272 269 542 CONECT 434 197 431 CONECT 532 69 529 CONECT 542 272 539 END
SEQUENCE	SFGLCRLRRGFCARGRCRFPSIPIGRCSRFVQCCRRVW
HELICITY	0.00	INSTAB. INDEX	52.95	FLEXIBILITY	12.93
a HYD. MOM.	30.32	b HYD. MOM.	18.45	c HYD. MOM	3.44
a MEAN HYD. MOM.	0.80	b MEAN HYD. MOM.	0.49	c MEAN HYD. MOM.	0.09
CHARGE pH5	10.00	CHARGE pH7	9.73	CHARGE pH9	4.88
Δ CHARGE pH5-pH9	5.12	ISOELECTRIC POINT	11.63	BOMAN INDEX	2.89
ΔG	11	CPP	-0,04	MLP	-3,23
MOLECULAR VOLUME		POLARITY
MIC E. coli	2	MIC P. aeruginosa	9	MIC S. typhimurium	9
MIC S. aureus	2	MIC M. luteus	2	MIC B. subtilis	1
MIC C. albicans	75	OTHER	C. tropicalis = 2.25; N. crassa = 4.5; A. fumigatus = 4.5; C. glabrata = 200
MIC OTHER gram+	B. cereus ATCC 11778 = 4.5; B. megaterium = 0.6; S. saprophyticus = 2.25; S. haemolyticus = 2.25; N. asteroides = 1.15; A. viridans = 0.6; L. monocytogenes = 9
MIC OTHER gram-	K. pneumoniae = 75; V. metshnikovii NCTC 8483 = 37.5; V. anguillarum ATCC 19264 = 37.5
PHYLUM	Chordata	CLASS	Aves	ORDER	Sphenisciformes
FAMILY	Spheniscidae	GENUS	Aptenodytes	SPECIES	Aptenodytes patagonicus
DATE	2003
TITLE PAPER	Spheniscins, avian beta-defensins in preserved stomach contents of the king penguin, Aptenodytes patagonicus