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ID	2442	NAME	Defensin_4   Blast NCBI-PROT
LENGTH	43	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\ATCDALSFSSKWLTVNHSACAIHCLTKGYKGGRCVNTICNCRN.pdb REMARK YASARA Written on: Wed May 14 20:19:17 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 632 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN, MUTANT DEF-ABB; SEQRES 1 A 43 ALA THR CYS ASP ALA LEU SER PHE SER SER LYS TRP LEU SEQRES 2 A 43 THR VAL ASN HIS SER ALA CYS ALA ILE HIS CYS LEU THR SEQRES 3 A 43 LYS GLY TYR LYS GLY GLY ARG CYS VAL ASN THR ILE CYS SEQRES 4 A 43 ASN CYS ARG ASN 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 3 CYS A 34 2.03 SSBOND 3 CYS A 20 CYS A 39 2.03 SSBOND 5 CYS A 24 CYS A 41 2.02 ATOM 1 N ALA A 1 26.421 -29.010 -31.639 1.00-25.44 N ATOM 2 1H ALA A 1 26.072 -28.233 -32.180 1.00-25.44 H ATOM 3 2H ALA A 1 26.977 -28.660 -30.870 1.00-25.44 H ATOM 4 3H ALA A 1 25.636 -29.526 -31.260 1.00-25.44 H ATOM 5 CA ALA A 1 27.257 -29.903 -32.490 1.00-25.44 C ATOM 6 HA ALA A 1 26.632 -30.277 -33.300 1.00-25.44 H ATOM 7 C ALA A 1 27.723 -31.101 -31.663 1.00-25.44 C ATOM 8 O ALA A 1 26.958 -31.590 -30.846 1.00-25.44 O ATOM 9 CB ALA A 1 28.457 -29.116 -33.103 1.00-25.44 C ATOM 10 1HB ALA A 1 28.087 -28.233 -33.627 1.00-25.44 H ATOM 11 2HB ALA A 1 28.993 -29.741 -33.820 1.00-25.44 H ATOM 12 3HB ALA A 1 29.141 -28.795 -32.314 1.00-25.44 H ATOM 13 N THR A 2 28.943 -31.585 -31.859 1.00 17.97 N ATOM 14 H THR A 2 29.574 -31.169 -32.532 1.00 17.97 H ATOM 15 CA THR A 2 29.468 -32.736 -31.120 1.00 17.97 C ATOM 16 HA THR A 2 28.727 -33.536 -31.109 1.00 17.97 H ATOM 17 C THR A 2 29.816 -32.415 -29.663 1.00 17.97 C ATOM 18 O THR A 2 29.927 -33.312 -28.831 1.00 17.97 O ATOM 19 CB THR A 2 30.712 -33.221 -31.866 1.00 17.97 C ATOM 20 HB THR A 2 31.366 -33.778 -31.199 1.00 17.97 H ATOM 21 OG1 THR A 2 31.370 -32.072 -32.411 1.00 17.97 O ATOM 22 HG1 THR A 2 31.929 -31.673 -31.716 1.00 17.97 H ATOM 23 CG2 THR A 2 30.341 -34.090 -33.052 1.00 17.97 C ATOM 24 1HG2 THR A 2 31.255 -34.402 -33.560 1.00 17.97 H ATOM 25 2HG2 THR A 2 29.719 -33.535 -33.752 1.00 17.97 H ATOM 26 3HG2 THR A 2 29.809 -34.979 -32.710 1.00 17.97 H ATOM 27 N CYS A 3 29.909 -31.132 -29.351 1.00 35.28 N ATOM 28 H CYS A 3 30.123 -30.466 -30.078 1.00 35.28 H ATOM 29 CA CYS A 3 29.546 -30.573 -28.053 1.00 35.28 C ATOM 30 HA CYS A 3 29.012 -31.299 -27.440 1.00 35.28 H ATOM 31 C CYS A 3 28.628 -29.441 -28.482 1.00 35.28 C ATOM 32 O CYS A 3 28.663 -29.050 -29.654 1.00 35.28 O ATOM 33 CB CYS A 3 30.727 -29.978 -27.286 1.00 35.28 C ATOM 34 1HB CYS A 3 31.203 -29.228 -27.916 1.00 35.28 H ATOM 35 2HB CYS A 3 30.336 -29.476 -26.401 1.00 35.28 H ATOM 36 SG CYS A 3 31.991 -31.165 -26.747 1.00 35.28 S ATOM 37 N ASP A 4 27.842 -28.898 -27.572 1.00 24.35 N ATOM 38 H ASP A 4 27.889 -29.207 -26.601 1.00 24.35 H ATOM 39 CA ASP A 4 26.906 -27.828 -27.898 1.00 24.35 C ATOM 40 HA ASP A 4 27.260 -27.300 -28.783 1.00 24.35 H ATOM 41 C ASP A 4 26.843 -26.843 -26.746 1.00 24.35 C ATOM 42 O ASP A 4 27.339 -27.156 -25.662 1.00 24.35 O ATOM 43 CB ASP A 4 25.517 -28.402 -28.178 1.00 24.35 C ATOM 44 1HB ASP A 4 25.631 -29.450 -28.459 1.00 24.35 H ATOM 45 2HB ASP A 4 24.908 -28.348 -27.275 1.00 24.35 H ATOM 46 CG ASP A 4 24.831 -27.684 -29.317 1.00 24.35 C ATOM 47 OD1 ASP A 4 25.159 -26.504 -29.555 1.00 24.35 O ATOM 48 OD2 ASP A 4 24.134 -28.355 -30.104 1.00 24.35 O ATOM 49 N ALA A 5 26.263 -25.676 -26.972 1.00 18.62 N ATOM 50 H ALA A 5 25.789 -25.528 -27.864 1.00 18.62 H ATOM 51 CA ALA A 5 26.234 -24.607 -25.980 1.00 18.62 C ATOM 52 HA ALA A 5 26.900 -24.861 -25.158 1.00 18.62 H ATOM 53 C ALA A 5 24.825 -24.427 -25.412 1.00 18.62 C ATOM 54 O ALA A 5 23.836 -24.779 -26.047 1.00 18.62 O ATOM 55 CB ALA A 5 26.734 -23.305 -26.618 1.00 18.62 C ATOM 56 1HB ALA A 5 27.738 -23.453 -27.016 1.00 18.62 H ATOM 57 2HB ALA A 5 26.762 -22.516 -25.865 1.00 18.62 H ATOM 58 3HB ALA A 5 26.061 -23.008 -27.425 1.00 18.62 H ATOM 59 N LEU A 6 24.754 -23.850 -24.223 1.00 31.93 N ATOM 60 H LEU A 6 25.618 -23.577 -23.751 1.00 31.93 H ATOM 61 CA LEU A 6 23.499 -23.533 -23.548 1.00 31.93 C ATOM 62 HA LEU A 6 22.749 -23.239 -24.284 1.00 31.93 H ATOM 63 C LEU A 6 23.819 -22.354 -22.641 1.00 31.93 C ATOM 64 O LEU A 6 24.968 -21.915 -22.588 1.00 31.93 O ATOM 65 CB LEU A 6 22.947 -24.713 -22.723 1.00 31.93 C ATOM 66 1HB LEU A 6 21.931 -24.433 -22.449 1.00 31.93 H ATOM 67 2HB LEU A 6 22.856 -25.567 -23.394 1.00 31.93 H ATOM 68 CG LEU A 6 23.617 -25.211 -21.425 1.00 31.93 C ATOM 69 HG LEU A 6 23.856 -24.354 -20.801 1.00 31.93 H ATOM 70 CD1 LEU A 6 22.620 -26.079 -20.656 1.00 31.93 C ATOM 71 1HD1 LEU A 6 23.072 -26.432 -19.732 1.00 31.93 H ATOM 72 2HD1 LEU A 6 22.315 -26.933 -21.262 1.00 31.93 H ATOM 73 3HD1 LEU A 6 21.739 -25.486 -20.401 1.00 31.93 H ATOM 74 CD2 LEU A 6 24.887 -26.012 -21.660 1.00 31.93 C ATOM 75 1HD2 LEU A 6 25.308 -26.330 -20.707 1.00 31.93 H ATOM 76 2HD2 LEU A 6 25.617 -25.385 -22.164 1.00 31.93 H ATOM 77 3HD2 LEU A 6 24.673 -26.878 -22.284 1.00 31.93 H ATOM 78 N SER A 7 22.851 -21.900 -21.863 1.00 18.29 N ATOM 79 H SER A 7 21.911 -22.263 -21.934 1.00 18.29 H ATOM 80 CA SER A 7 23.143 -21.015 -20.747 1.00 18.29 C ATOM 81 HA SER A 7 24.207 -21.050 -20.535 1.00 18.29 H ATOM 82 C SER A 7 22.394 -21.595 -19.562 1.00 18.29 C ATOM 83 O SER A 7 21.315 -22.165 -19.727 1.00 18.29 O ATOM 84 CB SER A 7 22.735 -19.571 -21.035 1.00 18.29 C ATOM 85 1HB SER A 7 23.183 -19.261 -21.979 1.00 18.29 H ATOM 86 2HB SER A 7 21.649 -19.510 -21.117 1.00 18.29 H ATOM 87 OG SER A 7 23.189 -18.707 -20.007 1.00 18.29 O ATOM 88 HG SER A 7 24.128 -18.873 -19.859 1.00 18.29 H ATOM 89 N PHE A 8 22.988 -21.505 -18.385 1.00 3.80 N ATOM 90 H PHE A 8 23.896 -21.055 -18.331 1.00 3.80 H ATOM 91 CA PHE A 8 22.362 -21.996 -17.160 1.00 3.80 C ATOM 92 HA PHE A 8 21.838 -22.934 -17.343 1.00 3.80 H ATOM 93 C PHE A 8 21.352 -20.951 -16.687 1.00 3.80 C ATOM 94 O PHE A 8 21.348 -19.825 -17.165 1.00 3.80 O ATOM 95 CB PHE A 8 23.432 -22.203 -16.080 1.00 3.80 C ATOM 96 1HB PHE A 8 24.087 -21.332 -16.066 1.00 3.80 H ATOM 97 2HB PHE A 8 22.940 -22.271 -15.111 1.00 3.80 H ATOM 98 CG PHE A 8 24.274 -23.455 -16.238 1.00 3.80 C ATOM 99 CD1 PHE A 8 25.180 -23.775 -15.209 1.00 3.80 C ATOM 100 HD1 PHE A 8 25.266 -23.123 -14.351 1.00 3.80 H ATOM 101 CD2 PHE A 8 24.173 -24.333 -17.346 1.00 3.80 C ATOM 102 HD2 PHE A 8 23.502 -24.127 -18.165 1.00 3.80 H ATOM 103 CE1 PHE A 8 25.976 -24.945 -15.268 1.00 3.80 C ATOM 104 HE1 PHE A 8 26.666 -25.172 -14.468 1.00 3.80 H ATOM 105 CE2 PHE A 8 24.966 -25.508 -17.415 1.00 3.80 C ATOM 106 HE2 PHE A 8 24.888 -26.161 -18.271 1.00 3.80 H ATOM 107 CZ PHE A 8 25.867 -25.813 -16.375 1.00 3.80 C ATOM 108 HZ PHE A 8 26.477 -26.703 -16.428 1.00 3.80 H ATOM 109 N SER A 9 20.554 -21.273 -15.678 1.00-10.40 N ATOM 110 H SER A 9 20.580 -22.202 -15.284 1.00-10.40 H ATOM 111 CA SER A 9 19.639 -20.303 -15.067 1.00-10.40 C ATOM 112 HA SER A 9 18.988 -19.876 -15.831 1.00-10.40 H ATOM 113 C SER A 9 20.391 -19.154 -14.389 1.00-10.40 C ATOM 114 O SER A 9 19.887 -18.042 -14.268 1.00-10.40 O ATOM 115 CB SER A 9 18.791 -21.035 -14.032 1.00-10.40 C ATOM 116 1HB SER A 9 18.213 -20.314 -13.452 1.00-10.40 H ATOM 117 2HB SER A 9 18.111 -21.716 -14.545 1.00-10.40 H ATOM 118 OG SER A 9 19.642 -21.792 -13.185 1.00-10.40 O ATOM 119 HG SER A 9 19.115 -22.148 -12.462 1.00-10.40 H ATOM 120 N SER A 10 21.640 -19.413 -14.023 1.00 17.78 N ATOM 121 H SER A 10 21.997 -20.349 -14.135 1.00 17.78 H ATOM 122 CA SER A 10 22.562 -18.410 -13.490 1.00 17.78 C ATOM 123 HA SER A 10 22.052 -17.778 -12.763 1.00 17.78 H ATOM 124 C SER A 10 23.150 -17.510 -14.579 1.00 17.78 C ATOM 125 O SER A 10 23.962 -16.634 -14.292 1.00 17.78 O ATOM 126 CB SER A 10 23.699 -19.154 -12.800 1.00 17.78 C ATOM 127 1HB SER A 10 24.459 -18.444 -12.470 1.00 17.78 H ATOM 128 2HB SER A 10 23.305 -19.688 -11.935 1.00 17.78 H ATOM 129 OG SER A 10 24.255 -20.094 -13.703 1.00 17.78 O ATOM 130 HG SER A 10 25.111 -20.374 -13.352 1.00 17.78 H ATOM 131 N LYS A 11 22.722 -17.740 -15.818 1.00 1.46 N ATOM 132 H LYS A 11 22.056 -18.495 -15.960 1.00 1.46 H ATOM 133 CA LYS A 11 23.092 -16.991 -17.029 1.00 1.46 C ATOM 134 HA LYS A 11 22.522 -17.433 -17.849 1.00 1.46 H ATOM 135 C LYS A 11 24.553 -17.145 -17.415 1.00 1.46 C ATOM 136 O LYS A 11 25.090 -16.392 -18.221 1.00 1.46 O ATOM 137 CB LYS A 11 22.670 -15.519 -16.937 1.00 1.46 C ATOM 138 1HB LYS A 11 23.256 -15.025 -16.162 1.00 1.46 H ATOM 139 2HB LYS A 11 22.882 -15.033 -17.890 1.00 1.46 H ATOM 140 CG LYS A 11 21.190 -15.354 -16.620 1.00 1.46 C ATOM 141 1HG LYS A 11 20.601 -15.859 -17.387 1.00 1.46 H ATOM 142 2HG LYS A 11 20.973 -15.803 -15.652 1.00 1.46 H ATOM 143 CD LYS A 11 20.793 -13.896 -16.566 1.00 1.46 C ATOM 144 1HD LYS A 11 21.424 -13.382 -15.840 1.00 1.46 H ATOM 145 2HD LYS A 11 20.932 -13.446 -17.550 1.00 1.46 H ATOM 146 CE LYS A 11 19.335 -13.783 -16.145 1.00 1.46 C ATOM 147 1HE LYS A 11 18.715 -14.306 -16.876 1.00 1.46 H ATOM 148 2HE LYS A 11 19.208 -14.266 -15.172 1.00 1.46 H ATOM 149 NZ LYS A 11 18.905 -12.348 -16.052 1.00 1.46 N ATOM 150 1HZ LYS A 11 17.932 -12.299 -15.780 1.00 1.46 H ATOM 151 2HZ LYS A 11 19.024 -11.899 -16.950 1.00 1.46 H ATOM 152 3HZ LYS A 11 19.468 -11.868 -15.363 1.00 1.46 H ATOM 153 N TRP A 12 25.190 -18.168 -16.871 1.00 -2.22 N ATOM 154 H TRP A 12 24.728 -18.730 -16.179 1.00 -2.22 H ATOM 155 CA TRP A 12 26.539 -18.517 -17.292 1.00 -2.22 C ATOM 156 HA TRP A 12 27.159 -17.622 -17.334 1.00 -2.22 H ATOM 157 C TRP A 12 26.390 -19.130 -18.675 1.00 -2.22 C ATOM 158 O TRP A 12 25.588 -20.053 -18.845 1.00 -2.22 O ATOM 159 CB TRP A 12 27.146 -19.559 -16.352 1.00 -2.22 C ATOM 160 1HB TRP A 12 26.522 -20.453 -16.387 1.00 -2.22 H ATOM 161 2HB TRP A 12 28.140 -19.826 -16.710 1.00 -2.22 H ATOM 162 CG TRP A 12 27.236 -19.126 -14.917 1.00 -2.22 C ATOM 163 CD1 TRP A 12 27.182 -17.859 -14.420 1.00 -2.22 C ATOM 164 HD1 TRP A 12 27.078 -16.969 -15.029 1.00 -2.22 H ATOM 165 CD2 TRP A 12 27.362 -19.981 -13.767 1.00 -2.22 C ATOM 166 NE1 TRP A 12 27.253 -17.852 -13.055 1.00 -2.22 N ATOM 167 HE1 TRP A 12 27.222 -17.015 -12.489 1.00 -2.22 H ATOM 168 CE2 TRP A 12 27.348 -19.143 -12.614 1.00 -2.22 C ATOM 169 CE3 TRP A 12 27.428 -21.378 -13.590 1.00 -2.22 C ATOM 170 HE3 TRP A 12 27.448 -22.036 -14.447 1.00 -2.22 H ATOM 171 CZ2 TRP A 12 27.382 -19.663 -11.304 1.00 -2.22 C ATOM 172 HZ2 TRP A 12 27.362 -19.007 -10.446 1.00 -2.22 H ATOM 173 CZ3 TRP A 12 27.466 -21.907 -12.274 1.00 -2.22 C ATOM 174 HZ3 TRP A 12 27.523 -22.976 -12.124 1.00 -2.22 H ATOM 175 CH2 TRP A 12 27.442 -21.037 -11.144 1.00 -2.22 C ATOM 176 HH2 TRP A 12 27.478 -21.457 -10.148 1.00 -2.22 H ATOM 177 N LEU A 13 27.124 -18.641 -19.661 1.00-19.99 N ATOM 178 H LEU A 13 27.734 -17.857 -19.499 1.00-19.99 H ATOM 179 CA LEU A 13 27.131 -19.284 -20.972 1.00-19.99 C ATOM 180 HA LEU A 13 26.120 -19.575 -21.258 1.00-19.99 H ATOM 181 C LEU A 13 27.974 -20.527 -20.748 1.00-19.99 C ATOM 182 O LEU A 13 29.017 -20.453 -20.100 1.00-19.99 O ATOM 183 CB LEU A 13 27.753 -18.389 -22.046 1.00-19.99 C ATOM 184 1HB LEU A 13 28.762 -18.132 -21.724 1.00-19.99 H ATOM 185 2HB LEU A 13 27.835 -18.976 -22.962 1.00-19.99 H ATOM 186 CG LEU A 13 27.016 -17.082 -22.383 1.00-19.99 C ATOM 187 HG LEU A 13 26.939 -16.483 -21.476 1.00-19.99 H ATOM 188 CD1 LEU A 13 27.831 -16.295 -23.406 1.00-19.99 C ATOM 189 1HD1 LEU A 13 27.337 -15.345 -23.615 1.00-19.99 H ATOM 190 2HD1 LEU A 13 27.925 -16.862 -24.334 1.00-19.99 H ATOM 191 3HD1 LEU A 13 28.824 -16.087 -23.008 1.00-19.99 H ATOM 192 CD2 LEU A 13 25.605 -17.319 -22.924 1.00-19.99 C ATOM 193 1HD2 LEU A 13 25.161 -16.369 -23.222 1.00-19.99 H ATOM 194 2HD2 LEU A 13 24.980 -17.752 -22.144 1.00-19.99 H ATOM 195 3HD2 LEU A 13 25.634 -17.990 -23.784 1.00-19.99 H ATOM 196 N THR A 14 27.477 -21.674 -21.174 1.00 33.72 N ATOM 197 H THR A 14 26.639 -21.693 -21.760 1.00 33.72 H ATOM 198 CA THR A 14 28.027 -22.956 -20.758 1.00 33.72 C ATOM 199 HA THR A 14 29.055 -22.832 -20.419 1.00 33.72 H ATOM 200 C THR A 14 28.022 -23.931 -21.925 1.00 33.72 C ATOM 201 O THR A 14 27.422 -23.669 -22.963 1.00 33.72 O ATOM 202 CB THR A 14 27.180 -23.507 -19.592 1.00 33.72 C ATOM 203 HB THR A 14 27.144 -24.596 -19.630 1.00 33.72 H ATOM 204 OG1 THR A 14 25.860 -22.967 -19.679 1.00 33.72 O ATOM 205 HG1 THR A 14 25.926 -22.016 -19.531 1.00 33.72 H ATOM 206 CG2 THR A 14 27.739 -23.066 -18.250 1.00 33.72 C ATOM 207 1HG2 THR A 14 27.073 -23.398 -17.458 1.00 33.72 H ATOM 208 2HG2 THR A 14 27.818 -21.980 -18.214 1.00 33.72 H ATOM 209 3HG2 THR A 14 28.725 -23.503 -18.095 1.00 33.72 H ATOM 210 N VAL A 15 28.701 -25.054 -21.753 1.00 19.20 N ATOM 211 H VAL A 15 29.146 -25.236 -20.867 1.00 19.20 H ATOM 212 CA VAL A 15 28.812 -26.089 -22.778 1.00 19.20 C ATOM 213 HA VAL A 15 28.305 -25.784 -23.693 1.00 19.20 H ATOM 214 C VAL A 15 28.097 -27.290 -22.176 1.00 19.20 C ATOM 215 O VAL A 15 28.150 -27.481 -20.959 1.00 19.20 O ATOM 216 CB VAL A 15 30.313 -26.392 -23.091 1.00 19.20 C ATOM 217 HB VAL A 15 30.802 -26.702 -22.168 1.00 19.20 H ATOM 218 CG1 VAL A 15 30.486 -27.516 -24.131 1.00 19.20 C ATOM 219 1HG1 VAL A 15 31.544 -27.656 -24.349 1.00 19.20 H ATOM 220 2HG1 VAL A 15 29.962 -27.253 -25.053 1.00 19.20 H ATOM 221 3HG1 VAL A 15 30.086 -28.454 -23.747 1.00 19.20 H ATOM 222 CG2 VAL A 15 31.015 -25.124 -23.606 1.00 19.20 C ATOM 223 1HG2 VAL A 15 32.051 -25.348 -23.861 1.00 19.20 H ATOM 224 2HG2 VAL A 15 31.014 -24.352 -22.837 1.00 19.20 H ATOM 225 3HG2 VAL A 15 30.502 -24.744 -24.492 1.00 19.20 H ATOM 226 N ASN A 16 27.458 -28.107 -23.002 1.00 50.35 N ATOM 227 H ASN A 16 27.477 -27.874 -24.001 1.00 50.35 H ATOM 228 CA ASN A 16 26.731 -29.323 -22.609 1.00 50.35 C ATOM 229 HA ASN A 16 26.051 -29.043 -21.804 1.00 50.35 H ATOM 230 C ASN A 16 27.602 -30.483 -22.091 1.00 50.35 C ATOM 231 O ASN A 16 27.284 -31.658 -22.261 1.00 50.35 O ATOM 232 CB ASN A 16 25.878 -29.801 -23.797 1.00 50.35 C ATOM 233 1HB ASN A 16 25.120 -30.490 -23.428 1.00 50.35 H ATOM 234 2HB ASN A 16 25.374 -28.944 -24.245 1.00 50.35 H ATOM 235 CG ASN A 16 26.685 -30.516 -24.865 1.00 50.35 C ATOM 236 OD1 ASN A 16 27.871 -30.274 -25.055 1.00 50.35 O ATOM 237 ND2 ASN A 16 26.043 -31.394 -25.583 1.00 50.35 N ATOM 238 1HD2 ASN A 16 26.543 -31.900 -26.294 1.00 50.35 H ATOM 239 2HD2 ASN A 16 25.062 -31.553 -25.433 1.00 50.35 H ATOM 240 N HIS A 17 28.689 -30.151 -21.416 1.00 30.09 N ATOM 241 H HIS A 17 28.842 -29.162 -21.234 1.00 30.09 H ATOM 242 CA HIS A 17 29.665 -31.101 -20.898 1.00 30.09 C ATOM 243 HA HIS A 17 30.125 -31.637 -21.729 1.00 30.09 H ATOM 244 C HIS A 17 29.026 -32.116 -19.948 1.00 30.09 C ATOM 245 O HIS A 17 29.369 -33.295 -19.954 1.00 30.09 O ATOM 246 CB HIS A 17 30.732 -30.295 -20.153 1.00 30.09 C ATOM 247 1HB HIS A 17 30.974 -29.409 -20.742 1.00 30.09 H ATOM 248 2HB HIS A 17 30.321 -29.968 -19.198 1.00 30.09 H ATOM 249 CG HIS A 17 32.002 -31.045 -19.902 1.00 30.09 C ATOM 250 ND1 HIS A 17 32.102 -32.195 -19.156 1.00 30.09 N ATOM 251 HD1 HIS A 17 31.337 -32.712 -18.739 1.00 30.09 H ATOM 252 CD2 HIS A 17 33.271 -30.776 -20.305 1.00 30.09 C ATOM 253 HD2 HIS A 17 33.561 -29.931 -20.914 1.00 30.09 H ATOM 254 CE1 HIS A 17 33.384 -32.545 -19.103 1.00 30.09 C ATOM 255 HE1 HIS A 17 33.759 -33.407 -18.564 1.00 30.09 H ATOM 256 NE2 HIS A 17 34.134 -31.729 -19.819 1.00 30.09 N ATOM 257 N SER A 18 28.067 -31.677 -19.147 1.00 14.76 N ATOM 258 H SER A 18 27.803 -30.702 -19.149 1.00 14.76 H ATOM 259 CA SER A 18 27.351 -32.584 -18.256 1.00 14.76 C ATOM 260 HA SER A 18 28.062 -33.112 -17.620 1.00 14.76 H ATOM 261 C SER A 18 26.550 -33.618 -19.043 1.00 14.76 C ATOM 262 O SER A 18 26.552 -34.798 -18.713 1.00 14.76 O ATOM 263 CB SER A 18 26.405 -31.758 -17.389 1.00 14.76 C ATOM 264 1HB SER A 18 25.652 -32.408 -16.940 1.00 14.76 H ATOM 265 2HB SER A 18 26.979 -31.269 -16.601 1.00 14.76 H ATOM 266 OG SER A 18 25.793 -30.761 -18.196 1.00 14.76 O ATOM 267 HG SER A 18 25.144 -30.291 -17.658 1.00 14.76 H ATOM 268 N ALA A 19 25.902 -33.189 -20.117 1.00-17.97 N ATOM 269 H ALA A 19 25.949 -32.214 -20.367 1.00-17.97 H ATOM 270 CA ALA A 19 25.121 -34.098 -20.948 1.00-17.97 C ATOM 271 HA ALA A 19 24.456 -34.676 -20.304 1.00-17.97 H ATOM 272 C ALA A 19 26.052 -35.073 -21.669 1.00-17.97 C ATOM 273 O ALA A 19 25.733 -36.244 -21.790 1.00-17.97 O ATOM 274 CB ALA A 19 24.272 -33.305 -21.952 1.00-17.97 C ATOM 275 1HB ALA A 19 23.620 -32.611 -21.419 1.00-17.97 H ATOM 276 2HB ALA A 19 23.657 -33.999 -22.528 1.00-17.97 H ATOM 277 3HB ALA A 19 24.917 -32.755 -22.636 1.00-17.97 H ATOM 278 N CYS A 20 27.217 -34.603 -22.093 1.00 -0.38 N ATOM 279 H CYS A 20 27.417 -33.615 -21.978 1.00 -0.38 H ATOM 280 CA CYS A 20 28.229 -35.462 -22.713 1.00 -0.38 C ATOM 281 HA CYS A 20 27.805 -35.944 -23.595 1.00 -0.38 H ATOM 282 C CYS A 20 28.663 -36.565 -21.742 1.00 -0.38 C ATOM 283 O CYS A 20 28.715 -37.745 -22.103 1.00 -0.38 O ATOM 284 CB CYS A 20 29.434 -34.606 -23.133 1.00 -0.38 C ATOM 285 1HB CYS A 20 29.158 -34.020 -24.011 1.00 -0.38 H ATOM 286 2HB CYS A 20 29.651 -33.912 -22.326 1.00 -0.38 H ATOM 287 SG CYS A 20 30.978 -35.511 -23.487 1.00 -0.38 S ATOM 288 N ALA A 21 28.916 -36.201 -20.493 1.00 -9.21 N ATOM 289 H ALA A 21 28.870 -35.221 -20.231 1.00 -9.21 H ATOM 290 CA ALA A 21 29.295 -37.188 -19.491 1.00 -9.21 C ATOM 291 HA ALA A 21 30.158 -37.731 -19.869 1.00 -9.21 H ATOM 292 C ALA A 21 28.183 -38.215 -19.244 1.00 -9.21 C ATOM 293 O ALA A 21 28.461 -39.404 -19.175 1.00 -9.21 O ATOM 294 CB ALA A 21 29.692 -36.482 -18.189 1.00 -9.21 C ATOM 295 1HB ALA A 21 30.526 -35.805 -18.378 1.00 -9.21 H ATOM 296 2HB ALA A 21 29.997 -37.227 -17.452 1.00 -9.21 H ATOM 297 3HB ALA A 21 28.846 -35.917 -17.795 1.00 -9.21 H ATOM 298 N ILE A 22 26.935 -37.781 -19.140 1.00-25.92 N ATOM 299 H ILE A 22 26.748 -36.783 -19.195 1.00-25.92 H ATOM 300 CA ILE A 22 25.816 -38.703 -18.894 1.00-25.92 C ATOM 301 HA ILE A 22 26.068 -39.345 -18.050 1.00-25.92 H ATOM 302 C ILE A 22 25.596 -39.602 -20.113 1.00-25.92 C ATOM 303 O ILE A 22 25.396 -40.812 -19.986 1.00-25.92 O ATOM 304 CB ILE A 22 24.509 -37.921 -18.549 1.00-25.92 C ATOM 305 HB ILE A 22 24.313 -37.211 -19.353 1.00-25.92 H ATOM 306 CG1 ILE A 22 24.695 -37.145 -17.228 1.00-25.92 C ATOM 307 1HG1 ILE A 22 24.661 -37.855 -16.401 1.00-25.92 H ATOM 308 2HG1 ILE A 22 25.678 -36.682 -17.216 1.00-25.92 H ATOM 309 CG2 ILE A 22 23.287 -38.875 -18.418 1.00-25.92 C ATOM 310 1HG2 ILE A 22 22.391 -38.313 -18.157 1.00-25.92 H ATOM 311 2HG2 ILE A 22 23.475 -39.627 -17.648 1.00-25.92 H ATOM 312 3HG2 ILE A 22 23.097 -39.381 -19.365 1.00-25.92 H ATOM 313 CD1 ILE A 22 23.665 -36.035 -16.968 1.00-25.92 C ATOM 314 1HD1 ILE A 22 23.926 -35.512 -16.048 1.00-25.92 H ATOM 315 2HD1 ILE A 22 22.667 -36.459 -16.859 1.00-25.92 H ATOM 316 3HD1 ILE A 22 23.671 -35.324 -17.795 1.00-25.92 H ATOM 317 N HIS A 23 25.693 -39.033 -21.304 1.00 -0.83 N ATOM 318 H HIS A 23 25.875 -38.031 -21.365 1.00 -0.83 H ATOM 319 CA HIS A 23 25.527 -39.778 -22.550 1.00 -0.83 C ATOM 320 HA HIS A 23 24.532 -40.221 -22.577 1.00 -0.83 H ATOM 321 C HIS A 23 26.547 -40.906 -22.651 1.00 -0.83 C ATOM 322 O HIS A 23 26.231 -42.003 -23.104 1.00 -0.83 O ATOM 323 CB HIS A 23 25.683 -38.809 -23.725 1.00 -0.83 C ATOM 324 1HB HIS A 23 24.901 -38.052 -23.658 1.00 -0.83 H ATOM 325 2HB HIS A 23 26.649 -38.313 -23.646 1.00 -0.83 H ATOM 326 CG HIS A 23 25.610 -39.462 -25.068 1.00 -0.83 C ATOM 327 ND1 HIS A 23 24.491 -40.070 -25.584 1.00 -0.83 N ATOM 328 HD1 HIS A 23 23.592 -40.147 -25.129 1.00 -0.83 H ATOM 329 CD2 HIS A 23 26.557 -39.586 -26.034 1.00 -0.83 C ATOM 330 HD2 HIS A 23 27.562 -39.195 -25.962 1.00 -0.83 H ATOM 331 CE1 HIS A 23 24.792 -40.528 -26.801 1.00 -0.83 C ATOM 332 HE1 HIS A 23 24.095 -41.043 -27.450 1.00 -0.83 H ATOM 333 NE2 HIS A 23 26.050 -40.278 -27.112 1.00 -0.83 N ATOM 334 N CYS A 24 27.764 -40.669 -22.190 1.00 3.45 N ATOM 335 H CYS A 24 28.012 -39.736 -21.866 1.00 3.45 H ATOM 336 CA CYS A 24 28.762 -41.729 -22.150 1.00 3.45 C ATOM 337 HA CYS A 24 28.594 -42.382 -23.003 1.00 3.45 H ATOM 338 C CYS A 24 28.714 -42.637 -20.923 1.00 3.45 C ATOM 339 O CYS A 24 29.050 -43.812 -21.037 1.00 3.45 O ATOM 340 CB CYS A 24 30.135 -41.115 -22.344 1.00 3.45 C ATOM 341 1HB CYS A 24 30.249 -40.237 -21.707 1.00 3.45 H ATOM 342 2HB CYS A 24 30.896 -41.847 -22.087 1.00 3.45 H ATOM 343 SG CYS A 24 30.320 -40.674 -24.099 1.00 3.45 S ATOM 344 N LEU A 25 28.209 -42.165 -19.795 1.00 -4.02 N ATOM 345 H LEU A 25 27.992 -41.173 -19.711 1.00 -4.02 H ATOM 346 CA LEU A 25 27.971 -43.024 -18.633 1.00 -4.02 C ATOM 347 HA LEU A 25 28.894 -43.530 -18.369 1.00 -4.02 H ATOM 348 C LEU A 25 26.924 -44.084 -18.964 1.00 -4.02 C ATOM 349 O LEU A 25 27.033 -45.239 -18.567 1.00 -4.02 O ATOM 350 CB LEU A 25 27.508 -42.169 -17.449 1.00 -4.02 C ATOM 351 1HB LEU A 25 28.234 -41.367 -17.315 1.00 -4.02 H ATOM 352 2HB LEU A 25 26.557 -41.714 -17.719 1.00 -4.02 H ATOM 353 CG LEU A 25 27.324 -42.863 -16.091 1.00 -4.02 C ATOM 354 HG LEU A 25 26.598 -43.667 -16.205 1.00 -4.02 H ATOM 355 CD1 LEU A 25 28.622 -43.456 -15.541 1.00 -4.02 C ATOM 356 1HD1 LEU A 25 28.444 -43.890 -14.558 1.00 -4.02 H ATOM 357 2HD1 LEU A 25 29.389 -42.684 -15.467 1.00 -4.02 H ATOM 358 3HD1 LEU A 25 28.978 -44.245 -16.207 1.00 -4.02 H ATOM 359 CD2 LEU A 25 26.762 -41.853 -15.091 1.00 -4.02 C ATOM 360 1HD2 LEU A 25 26.588 -42.344 -14.133 1.00 -4.02 H ATOM 361 2HD2 LEU A 25 25.812 -41.461 -15.456 1.00 -4.02 H ATOM 362 3HD2 LEU A 25 27.464 -41.029 -14.950 1.00 -4.02 H ATOM 363 N THR A 26 25.963 -43.710 -19.796 1.00 -2.36 N ATOM 364 H THR A 26 25.912 -42.733 -20.067 1.00 -2.36 H ATOM 365 CA THR A 26 24.956 -44.637 -20.328 1.00 -2.36 C ATOM 366 HA THR A 26 24.416 -45.082 -19.492 1.00 -2.36 H ATOM 367 C THR A 26 25.583 -45.777 -21.150 1.00 -2.36 C ATOM 368 O THR A 26 25.019 -46.858 -21.283 1.00 -2.36 O ATOM 369 CB THR A 26 23.942 -43.846 -21.204 1.00 -2.36 C ATOM 370 HB THR A 26 24.440 -43.495 -22.106 1.00 -2.36 H ATOM 371 OG1 THR A 26 23.451 -42.721 -20.468 1.00 -2.36 O ATOM 372 HG1 THR A 26 24.172 -42.092 -20.317 1.00 -2.36 H ATOM 373 CG2 THR A 26 22.716 -44.658 -21.588 1.00 -2.36 C ATOM 374 1HG2 THR A 26 22.012 -44.016 -22.114 1.00 -2.36 H ATOM 375 2HG2 THR A 26 22.238 -45.050 -20.690 1.00 -2.36 H ATOM 376 3HG2 THR A 26 23.001 -45.485 -22.238 1.00 -2.36 H ATOM 377 N LYS A 27 26.785 -45.559 -21.668 1.00-15.08 N ATOM 378 H LYS A 27 27.243 -44.674 -21.486 1.00-15.08 H ATOM 379 CA LYS A 27 27.513 -46.558 -22.462 1.00-15.08 C ATOM 380 HA LYS A 27 26.808 -47.276 -22.884 1.00-15.08 H ATOM 381 C LYS A 27 28.523 -47.317 -21.606 1.00-15.08 C ATOM 382 O LYS A 27 29.299 -48.111 -22.121 1.00-15.08 O ATOM 383 CB LYS A 27 28.279 -45.868 -23.593 1.00-15.08 C ATOM 384 1HB LYS A 27 29.026 -45.229 -23.139 1.00-15.08 H ATOM 385 2HB LYS A 27 28.795 -46.620 -24.192 1.00-15.08 H ATOM 386 CG LYS A 27 27.425 -45.013 -24.510 1.00-15.08 C ATOM 387 1HG LYS A 27 26.734 -45.644 -25.069 1.00-15.08 H ATOM 388 2HG LYS A 27 26.857 -44.306 -23.915 1.00-15.08 H ATOM 389 CD LYS A 27 28.304 -44.227 -25.464 1.00-15.08 C ATOM 390 1HD LYS A 27 29.051 -43.681 -24.887 1.00-15.08 H ATOM 391 2HD LYS A 27 28.808 -44.911 -26.149 1.00-15.08 H ATOM 392 CE LYS A 27 27.462 -43.233 -26.239 1.00-15.08 C ATOM 393 1HE LYS A 27 26.718 -43.775 -26.827 1.00-15.08 H ATOM 394 2HE LYS A 27 26.934 -42.595 -25.525 1.00-15.08 H ATOM 395 NZ LYS A 27 28.286 -42.365 -27.146 1.00-15.08 N ATOM 396 1HZ LYS A 27 27.686 -41.660 -27.565 1.00-15.08 H ATOM 397 2HZ LYS A 27 28.712 -42.922 -27.873 1.00-15.08 H ATOM 398 3HZ LYS A 27 29.005 -41.897 -26.611 1.00-15.08 H ATOM 399 N GLY A 28 28.548 -47.038 -20.311 1.00 -8.92 N ATOM 400 H GLY A 28 27.884 -46.377 -19.918 1.00 -8.92 H ATOM 401 CA GLY A 28 29.492 -47.677 -19.409 1.00 -8.92 C ATOM 402 1HA GLY A 28 29.035 -47.721 -18.421 1.00 -8.92 H ATOM 403 2HA GLY A 28 29.670 -48.698 -19.746 1.00 -8.92 H ATOM 404 C GLY A 28 30.834 -46.985 -19.263 1.00 -8.92 C ATOM 405 O GLY A 28 31.696 -47.478 -18.525 1.00 -8.92 O ATOM 406 N TYR A 29 31.036 -45.850 -19.919 1.00 8.20 N ATOM 407 H TYR A 29 30.309 -45.454 -20.498 1.00 8.20 H ATOM 408 CA TYR A 29 32.279 -45.103 -19.731 1.00 8.20 C ATOM 409 HA TYR A 29 33.131 -45.779 -19.794 1.00 8.20 H ATOM 410 C TYR A 29 32.220 -44.482 -18.348 1.00 8.20 C ATOM 411 O TYR A 29 31.162 -44.068 -17.888 1.00 8.20 O ATOM 412 CB TYR A 29 32.458 -43.961 -20.728 1.00 8.20 C ATOM 413 1HB TYR A 29 31.567 -43.343 -20.720 1.00 8.20 H ATOM 414 2HB TYR A 29 33.290 -43.348 -20.386 1.00 8.20 H ATOM 415 CG TYR A 29 32.768 -44.389 -22.141 1.00 8.20 C ATOM 416 CD1 TYR A 29 31.781 -44.350 -23.144 1.00 8.20 C ATOM 417 HD1 TYR A 29 30.777 -44.059 -22.888 1.00 8.20 H ATOM 418 CD2 TYR A 29 34.071 -44.791 -22.494 1.00 8.20 C ATOM 419 HD2 TYR A 29 34.834 -44.857 -21.732 1.00 8.20 H ATOM 420 CE1 TYR A 29 32.097 -44.677 -24.488 1.00 8.20 C ATOM 421 HE1 TYR A 29 31.340 -44.648 -25.253 1.00 8.20 H ATOM 422 CE2 TYR A 29 34.396 -45.106 -23.840 1.00 8.20 C ATOM 423 HE2 TYR A 29 35.402 -45.397 -24.101 1.00 8.20 H ATOM 424 CZ TYR A 29 33.403 -45.041 -24.822 1.00 8.20 C ATOM 425 OH TYR A 29 33.697 -45.330 -26.130 1.00 8.20 O ATOM 426 HH TYR A 29 34.616 -45.577 -26.252 1.00 8.20 H ATOM 427 N LYS A 30 33.360 -44.374 -17.688 1.00 2.58 N ATOM 428 H LYS A 30 34.222 -44.729 -18.123 1.00 2.58 H ATOM 429 CA LYS A 30 33.409 -43.783 -16.349 1.00 2.58 C ATOM 430 HA LYS A 30 32.447 -43.947 -15.861 1.00 2.58 H ATOM 431 C LYS A 30 33.598 -42.273 -16.412 1.00 2.58 C ATOM 432 O LYS A 30 33.582 -41.596 -15.391 1.00 2.58 O ATOM 433 CB LYS A 30 34.469 -44.501 -15.516 1.00 2.58 C ATOM 434 1HB LYS A 30 35.407 -44.498 -16.069 1.00 2.58 H ATOM 435 2HB LYS A 30 34.610 -43.977 -14.571 1.00 2.58 H ATOM 436 CG LYS A 30 34.026 -45.942 -15.222 1.00 2.58 C ATOM 437 1HG LYS A 30 33.589 -45.983 -14.223 1.00 2.58 H ATOM 438 2HG LYS A 30 33.247 -46.223 -15.926 1.00 2.58 H ATOM 439 CD LYS A 30 35.152 -46.961 -15.313 1.00 2.58 C ATOM 440 1HD LYS A 30 35.936 -46.583 -15.965 1.00 2.58 H ATOM 441 2HD LYS A 30 35.572 -47.117 -14.320 1.00 2.58 H ATOM 442 CE LYS A 30 34.651 -48.297 -15.876 1.00 2.58 C ATOM 443 1HE LYS A 30 35.454 -49.030 -15.782 1.00 2.58 H ATOM 444 2HE LYS A 30 33.793 -48.636 -15.293 1.00 2.58 H ATOM 445 NZ LYS A 30 34.265 -48.200 -17.332 1.00 2.58 N ATOM 446 1HZ LYS A 30 34.070 -49.111 -17.713 1.00 2.58 H ATOM 447 2HZ LYS A 30 35.035 -47.781 -17.860 1.00 2.58 H ATOM 448 3HZ LYS A 30 33.445 -47.614 -17.455 1.00 2.58 H ATOM 449 N GLY A 31 33.676 -41.733 -17.617 1.00 7.55 N ATOM 450 H GLY A 31 33.803 -42.320 -18.432 1.00 7.55 H ATOM 451 CA GLY A 31 33.510 -40.305 -17.803 1.00 7.55 C ATOM 452 1HA GLY A 31 32.597 -39.996 -17.294 1.00 7.55 H ATOM 453 2HA GLY A 31 34.351 -39.780 -17.349 1.00 7.55 H ATOM 454 C GLY A 31 33.400 -39.905 -19.259 1.00 7.55 C ATOM 455 O GLY A 31 33.687 -40.691 -20.165 1.00 7.55 O ATOM 456 N GLY A 32 32.999 -38.664 -19.482 1.00 19.42 N ATOM 457 H GLY A 32 32.787 -38.048 -18.708 1.00 19.42 H ATOM 458 CA GLY A 32 32.895 -38.102 -20.816 1.00 19.42 C ATOM 459 1HA GLY A 32 33.563 -38.611 -21.505 1.00 19.42 H ATOM 460 2HA GLY A 32 31.868 -38.145 -21.178 1.00 19.42 H ATOM 461 C GLY A 32 33.332 -36.666 -20.655 1.00 19.42 C ATOM 462 O GLY A 32 33.035 -36.055 -19.624 1.00 19.42 O ATOM 463 N ARG A 33 34.083 -36.146 -21.613 1.00 -9.64 N ATOM 464 H ARG A 33 34.291 -36.702 -22.451 1.00 -9.64 H ATOM 465 CA ARG A 33 34.671 -34.816 -21.530 1.00 -9.64 C ATOM 466 HA ARG A 33 34.156 -34.242 -20.772 1.00 -9.64 H ATOM 467 C ARG A 33 34.515 -34.128 -22.871 1.00 -9.64 C ATOM 468 O ARG A 33 34.740 -34.742 -23.903 1.00 -9.64 O ATOM 469 CB ARG A 33 36.156 -34.950 -21.172 1.00 -9.64 C ATOM 470 1HB ARG A 33 36.241 -35.569 -20.279 1.00 -9.64 H ATOM 471 2HB ARG A 33 36.666 -35.457 -21.992 1.00 -9.64 H ATOM 472 CG ARG A 33 36.856 -33.625 -20.909 1.00 -9.64 C ATOM 473 1HG ARG A 33 36.769 -32.994 -21.791 1.00 -9.64 H ATOM 474 2HG ARG A 33 36.374 -33.130 -20.069 1.00 -9.64 H ATOM 475 CD ARG A 33 38.325 -33.796 -20.586 1.00 -9.64 C ATOM 476 1HD ARG A 33 38.425 -34.402 -19.684 1.00 -9.64 H ATOM 477 2HD ARG A 33 38.818 -34.301 -21.418 1.00 -9.64 H ATOM 478 NE ARG A 33 38.940 -32.477 -20.376 1.00 -9.64 N ATOM 479 HE ARG A 33 38.326 -31.684 -20.485 1.00 -9.64 H ATOM 480 CZ ARG A 33 40.208 -32.234 -20.074 1.00 -9.64 C ATOM 481 NH1 ARG A 33 40.586 -30.997 -19.914 1.00 -9.64 N ATOM 482 1HH1 ARG A 33 39.921 -30.247 -20.019 1.00 -9.64 H ATOM 483 2HH1 ARG A 33 41.542 -30.785 -19.677 1.00 -9.64 H ATOM 484 NH2 ARG A 33 41.108 -33.172 -19.913 1.00 -9.64 N ATOM 485 1HH2 ARG A 33 40.842 -34.136 -20.029 1.00 -9.64 H ATOM 486 2HH2 ARG A 33 42.057 -32.935 -19.676 1.00 -9.64 H ATOM 487 N CYS A 34 34.164 -32.855 -22.882 1.00 25.07 N ATOM 488 H CYS A 34 33.971 -32.372 -22.016 1.00 25.07 H ATOM 489 CA CYS A 34 34.180 -32.119 -24.140 1.00 25.07 C ATOM 490 HA CYS A 34 33.791 -32.752 -24.939 1.00 25.07 H ATOM 491 C CYS A 34 35.641 -31.771 -24.433 1.00 25.07 C ATOM 492 O CYS A 34 36.289 -31.105 -23.622 1.00 25.07 O ATOM 493 CB CYS A 34 33.344 -30.841 -24.060 1.00 25.07 C ATOM 494 1HB CYS A 34 32.332 -31.088 -23.742 1.00 25.07 H ATOM 495 2HB CYS A 34 33.797 -30.166 -23.333 1.00 25.07 H ATOM 496 SG CYS A 34 33.274 -30.012 -25.678 1.00 25.07 S ATOM 497 N VAL A 35 36.168 -32.227 -25.560 1.00-11.35 N ATOM 498 H VAL A 35 35.602 -32.809 -26.187 1.00-11.35 H ATOM 499 CA VAL A 35 37.549 -31.957 -25.965 1.00-11.35 C ATOM 500 HA VAL A 35 37.982 -31.193 -25.322 1.00-11.35 H ATOM 501 C VAL A 35 37.481 -31.448 -27.398 1.00-11.35 C ATOM 502 O VAL A 35 36.923 -32.122 -28.247 1.00-11.35 O ATOM 503 CB VAL A 35 38.422 -33.249 -25.906 1.00-11.35 C ATOM 504 HB VAL A 35 37.993 -33.993 -26.576 1.00-11.35 H ATOM 505 CG1 VAL A 35 39.868 -32.969 -26.350 1.00-11.35 C ATOM 506 1HG1 VAL A 35 40.457 -33.885 -26.280 1.00-11.35 H ATOM 507 2HG1 VAL A 35 40.319 -32.202 -25.721 1.00-11.35 H ATOM 508 3HG1 VAL A 35 39.880 -32.642 -27.391 1.00-11.35 H ATOM 509 CG2 VAL A 35 38.435 -33.839 -24.487 1.00-11.35 C ATOM 510 1HG2 VAL A 35 39.089 -34.710 -24.454 1.00-11.35 H ATOM 511 2HG2 VAL A 35 37.428 -34.161 -24.216 1.00-11.35 H ATOM 512 3HG2 VAL A 35 38.780 -33.091 -23.773 1.00-11.35 H ATOM 513 N ASN A 36 38.000 -30.253 -27.660 1.00 -2.45 N ATOM 514 H ASN A 36 38.418 -29.726 -26.910 1.00 -2.45 H ATOM 515 CA ASN A 36 37.989 -29.649 -29.003 1.00 -2.45 C ATOM 516 HA ASN A 36 38.314 -28.613 -28.902 1.00 -2.45 H ATOM 517 C ASN A 36 36.596 -29.629 -29.654 1.00 -2.45 C ATOM 518 O ASN A 36 36.436 -29.924 -30.833 1.00 -2.45 O ATOM 519 CB ASN A 36 38.998 -30.355 -29.919 1.00 -2.45 C ATOM 520 1HB ASN A 36 39.915 -30.541 -29.363 1.00 -2.45 H ATOM 521 2HB ASN A 36 38.585 -31.310 -30.244 1.00 -2.45 H ATOM 522 CG ASN A 36 39.343 -29.529 -31.133 1.00 -2.45 C ATOM 523 OD1 ASN A 36 39.668 -28.361 -31.015 1.00 -2.45 O ATOM 524 ND2 ASN A 36 39.289 -30.119 -32.295 1.00 -2.45 N ATOM 525 1HD2 ASN A 36 39.535 -29.586 -33.110 1.00 -2.45 H ATOM 526 2HD2 ASN A 36 38.977 -31.070 -32.362 1.00 -2.45 H ATOM 527 N THR A 37 35.587 -29.311 -28.850 1.00 43.30 N ATOM 528 H THR A 37 35.794 -29.053 -27.902 1.00 43.30 H ATOM 529 CA THR A 37 34.175 -29.301 -29.264 1.00 43.30 C ATOM 530 HA THR A 37 33.602 -29.021 -28.383 1.00 43.30 H ATOM 531 C THR A 37 33.624 -30.661 -29.716 1.00 43.30 C ATOM 532 O THR A 37 32.611 -30.729 -30.413 1.00 43.30 O ATOM 533 CB THR A 37 33.886 -28.209 -30.333 1.00 43.30 C ATOM 534 HB THR A 37 33.887 -28.655 -31.328 1.00 43.30 H ATOM 535 OG1 THR A 37 34.903 -27.206 -30.268 1.00 43.30 O ATOM 536 HG1 THR A 37 35.664 -27.537 -30.759 1.00 43.30 H ATOM 537 CG2 THR A 37 32.561 -27.496 -30.081 1.00 43.30 C ATOM 538 1HG2 THR A 37 32.419 -26.735 -30.847 1.00 43.30 H ATOM 539 2HG2 THR A 37 32.580 -27.014 -29.103 1.00 43.30 H ATOM 540 3HG2 THR A 37 31.737 -28.207 -30.130 1.00 43.30 H ATOM 541 N ILE A 38 34.249 -31.748 -29.284 1.00-21.88 N ATOM 542 H ILE A 38 35.118 -31.664 -28.761 1.00-21.88 H ATOM 543 CA ILE A 38 33.765 -33.107 -29.527 1.00-21.88 C ATOM 544 HA ILE A 38 32.782 -33.070 -29.976 1.00-21.88 H ATOM 545 C ILE A 38 33.660 -33.810 -28.173 1.00-21.88 C ATOM 546 O ILE A 38 34.596 -33.778 -27.376 1.00-21.88 O ATOM 547 CB ILE A 38 34.735 -33.891 -30.473 1.00-21.88 C ATOM 548 HB ILE A 38 35.713 -33.938 -29.994 1.00-21.88 H ATOM 549 CG1 ILE A 38 34.891 -33.155 -31.822 1.00-21.88 C ATOM 550 1HG1 ILE A 38 33.948 -33.220 -32.365 1.00-21.88 H ATOM 551 2HG1 ILE A 38 35.095 -32.104 -31.637 1.00-21.88 H ATOM 552 CG2 ILE A 38 34.233 -35.343 -30.713 1.00-21.88 C ATOM 553 1HG2 ILE A 38 34.935 -35.888 -31.341 1.00-21.88 H ATOM 554 2HG2 ILE A 38 33.255 -35.335 -31.194 1.00-21.88 H ATOM 555 3HG2 ILE A 38 34.162 -35.880 -29.767 1.00-21.88 H ATOM 556 CD1 ILE A 38 36.015 -33.670 -32.731 1.00-21.88 C ATOM 557 1HD1 ILE A 38 36.102 -33.013 -33.597 1.00-21.88 H ATOM 558 2HD1 ILE A 38 35.793 -34.679 -33.077 1.00-21.88 H ATOM 559 3HD1 ILE A 38 36.960 -33.667 -32.187 1.00-21.88 H ATOM 560 N CYS A 39 32.524 -34.432 -27.890 1.00 7.46 N ATOM 561 H CYS A 39 31.731 -34.351 -28.513 1.00 7.46 H ATOM 562 CA CYS A 39 32.389 -35.271 -26.703 1.00 7.46 C ATOM 563 HA CYS A 39 32.704 -34.706 -25.827 1.00 7.46 H ATOM 564 C CYS A 39 33.298 -36.495 -26.863 1.00 7.46 C ATOM 565 O CYS A 39 33.132 -37.293 -27.786 1.00 7.46 O ATOM 566 CB CYS A 39 30.924 -35.694 -26.545 1.00 7.46 C ATOM 567 1HB CYS A 39 30.306 -34.796 -26.516 1.00 7.46 H ATOM 568 2HB CYS A 39 30.643 -36.270 -27.427 1.00 7.46 H ATOM 569 SG CYS A 39 30.550 -36.702 -25.073 1.00 7.46 S ATOM 570 N ASN A 40 34.282 -36.612 -25.986 1.00 0.01 N ATOM 571 H ASN A 40 34.361 -35.922 -25.237 1.00 0.01 H ATOM 572 CA ASN A 40 35.301 -37.656 -26.025 1.00 0.01 C ATOM 573 HA ASN A 40 35.140 -38.325 -26.869 1.00 0.01 H ATOM 574 C ASN A 40 35.162 -38.418 -24.712 1.00 0.01 C ATOM 575 O ASN A 40 35.046 -37.795 -23.661 1.00 0.01 O ATOM 576 CB ASN A 40 36.673 -36.986 -26.134 1.00 0.01 C ATOM 577 1HB ASN A 40 36.653 -36.291 -26.972 1.00 0.01 H ATOM 578 2HB ASN A 40 36.866 -36.423 -25.222 1.00 0.01 H ATOM 579 CG ASN A 40 37.792 -37.971 -26.341 1.00 0.01 C ATOM 580 OD1 ASN A 40 38.034 -38.854 -25.535 1.00 0.01 O ATOM 581 ND2 ASN A 40 38.497 -37.821 -27.427 1.00 0.01 N ATOM 582 1HD2 ASN A 40 39.259 -38.454 -27.596 1.00 0.01 H ATOM 583 2HD2 ASN A 40 38.270 -37.090 -28.077 1.00 0.01 H ATOM 584 N CYS A 41 35.086 -39.740 -24.752 1.00 -2.88 N ATOM 585 H CYS A 41 35.295 -40.239 -25.602 1.00 -2.88 H ATOM 586 CA CYS A 41 34.687 -40.509 -23.575 1.00 -2.88 C ATOM 587 HA CYS A 41 34.590 -39.837 -22.729 1.00 -2.88 H ATOM 588 C CYS A 41 35.700 -41.560 -23.170 1.00 -2.88 C ATOM 589 O CYS A 41 36.435 -42.094 -24.004 1.00 -2.88 O ATOM 590 CB CYS A 41 33.315 -41.114 -23.830 1.00 -2.88 C ATOM 591 1HB CYS A 41 33.359 -41.784 -24.688 1.00 -2.88 H ATOM 592 2HB CYS A 41 33.008 -41.674 -22.948 1.00 -2.88 H ATOM 593 SG CYS A 41 32.126 -39.772 -24.144 1.00 -2.88 S ATOM 594 N ARG A 42 35.798 -41.779 -21.866 1.00 5.74 N ATOM 595 H ARG A 42 35.090 -41.401 -21.232 1.00 5.74 H ATOM 596 CA ARG A 42 36.933 -42.488 -21.288 1.00 5.74 C ATOM 597 HA ARG A 42 37.410 -43.076 -22.067 1.00 5.74 H ATOM 598 C ARG A 42 36.613 -43.437 -20.153 1.00 5.74 C ATOM 599 O ARG A 42 35.760 -43.164 -19.312 1.00 5.74 O ATOM 600 CB ARG A 42 37.926 -41.461 -20.726 1.00 5.74 C ATOM 601 1HB ARG A 42 37.365 -40.720 -20.155 1.00 5.74 H ATOM 602 2HB ARG A 42 38.581 -41.969 -20.023 1.00 5.74 H ATOM 603 CG ARG A 42 38.810 -40.729 -21.744 1.00 5.74 C ATOM 604 1HG ARG A 42 38.187 -40.126 -22.406 1.00 5.74 H ATOM 605 2HG ARG A 42 39.476 -40.063 -21.195 1.00 5.74 H ATOM 606 CD ARG A 42 39.663 -41.681 -22.591 1.00 5.74 C ATOM 607 1HD ARG A 42 39.007 -42.231 -23.268 1.00 5.74 H ATOM 608 2HD ARG A 42 40.354 -41.090 -23.192 1.00 5.74 H ATOM 609 NE ARG A 42 40.415 -42.649 -21.771 1.00 5.74 N ATOM 610 HE ARG A 42 40.295 -42.593 -20.766 1.00 5.74 H ATOM 611 CZ ARG A 42 41.207 -43.613 -22.215 1.00 5.74 C ATOM 612 NH1 ARG A 42 41.703 -44.447 -21.347 1.00 5.74 N ATOM 613 1HH1 ARG A 42 41.429 -44.363 -20.368 1.00 5.74 H ATOM 614 2HH1 ARG A 42 42.333 -45.176 -21.633 1.00 5.74 H ATOM 615 NH2 ARG A 42 41.506 -43.784 -23.479 1.00 5.74 N ATOM 616 1HH2 ARG A 42 41.116 -43.158 -24.165 1.00 5.74 H ATOM 617 2HH2 ARG A 42 42.109 -44.537 -23.762 1.00 5.74 H ATOM 618 N ASN A 43 37.470 -44.451 -20.122 1.00 -5.58 N ATOM 619 H ASN A 43 38.044 -44.587 -20.932 1.00 -5.58 H ATOM 620 CA ASN A 43 37.720 -45.375 -19.009 1.00 -5.58 C ATOM 621 HA ASN A 43 38.544 -46.020 -19.307 1.00 -5.58 H ATOM 622 C ASN A 43 36.579 -46.318 -18.676 1.00 -5.58 C ATOM 623 O ASN A 43 36.903 -47.416 -18.201 1.00 -5.58 O ATOM 624 OXT ASN A 43 35.397 -45.982 -18.849 1.00 -5.58 O ATOM 625 CB ASN A 43 38.169 -44.632 -17.738 1.00 -5.58 C ATOM 626 1HB ASN A 43 37.364 -43.981 -17.403 1.00 -5.58 H ATOM 627 2HB ASN A 43 38.359 -45.368 -16.958 1.00 -5.58 H ATOM 628 CG ASN A 43 39.421 -43.801 -17.933 1.00 -5.58 C ATOM 629 OD1 ASN A 43 40.139 -43.895 -18.931 1.00 -5.58 O ATOM 630 ND2 ASN A 43 39.693 -42.958 -16.977 1.00 -5.58 N ATOM 631 1HD2 ASN A 43 40.522 -42.395 -17.044 1.00 -5.58 H ATOM 632 2HD2 ASN A 43 39.078 -42.886 -16.183 1.00 -5.58 H TER 633 ASN A 43 CONECT 36 33 496 CONECT 287 284 569 CONECT 343 340 593 CONECT 496 36 493 CONECT 569 287 566 CONECT 593 343 590 END
SEQUENCE	ATCDALSFSSKWLTVNHSACAIHCLTKGYKGGRCVNTICNCRN
HELICITY	23.30	INSTAB. INDEX	34.58	FLEXIBILITY	15.03
a HYD. MOM.	14.75	b HYD. MOM.	17.80	c HYD. MOM	2.25
a MEAN HYD. MOM.	0.34	b MEAN HYD. MOM.	0.41	c MEAN HYD. MOM.	0.05
CHARGE pH5	5.89	CHARGE pH7	3.91	CHARGE pH9	-1.29
Δ CHARGE pH5-pH9	7.18	ISOELECTRIC POINT	8.92	BOMAN INDEX	1.38
ΔG	20	CPP	-0,53	MLP	-11,99
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	Arthropoda	CLASS	Insecta	ORDER	Hemiptera
FAMILY	Pentatomidae	GENUS	Palomena	SPECIES	Palomena prasina
DATE	1995
TITLE PAPER	The inducible antibacterial peptides of the hemipteran insect Palomena prasina: identification of a unique family of proline-rich peptides and of a novel insect defensin.