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ID	2443	NAME	Defensin_2   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\ATCDILSFQSQWVTPNHAGCALHCVIKGYKGGQCKITVCHCRR.pdb REMARK YASARA Written on: Wed May 14 20:10:13 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 649 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 ILE LEU SER PHE GLN SER GLN TRP VAL SEQRES 2 A 43 THR PRO ASN HIS ALA GLY CYS ALA LEU HIS CYS VAL ILE SEQRES 3 A 43 LYS GLY TYR LYS GLY GLY GLN CYS LYS ILE THR VAL CYS SEQRES 4 A 43 HIS CYS ARG ARG 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 14.132 -31.090 23.899 1.00-23.59 N ATOM 2 1H ALA A 1 13.850 -30.569 23.082 1.00-23.59 H ATOM 3 2H ALA A 1 14.893 -30.606 24.359 1.00-23.59 H ATOM 4 3H ALA A 1 13.352 -31.144 24.542 1.00-23.59 H ATOM 5 CA ALA A 1 14.572 -32.463 23.516 1.00-23.59 C ATOM 6 HA ALA A 1 13.738 -32.958 23.019 1.00-23.59 H ATOM 7 C ALA A 1 14.898 -33.246 24.782 1.00-23.59 C ATOM 8 O ALA A 1 14.205 -33.063 25.767 1.00-23.59 O ATOM 9 CB ALA A 1 15.781 -32.407 22.534 1.00-23.59 C ATOM 10 1HB ALA A 1 15.526 -31.785 21.674 1.00-23.59 H ATOM 11 2HB ALA A 1 16.022 -33.408 22.173 1.00-23.59 H ATOM 12 3HB ALA A 1 16.654 -31.976 23.031 1.00-23.59 H ATOM 13 N THR A 2 15.928 -34.087 24.799 1.00 40.81 N ATOM 14 H THR A 2 16.492 -34.250 23.979 1.00 40.81 H ATOM 15 CA THR A 2 16.319 -34.776 26.033 1.00 40.81 C ATOM 16 HA THR A 2 15.444 -35.219 26.511 1.00 40.81 H ATOM 17 C THR A 2 16.925 -33.768 27.002 1.00 40.81 C ATOM 18 O THR A 2 16.796 -33.901 28.207 1.00 40.81 O ATOM 19 CB THR A 2 17.357 -35.870 25.740 1.00 40.81 C ATOM 20 HB THR A 2 17.786 -36.239 26.672 1.00 40.81 H ATOM 21 OG1 THR A 2 18.372 -35.319 24.896 1.00 40.81 O ATOM 22 HG1 THR A 2 19.051 -35.990 24.774 1.00 40.81 H ATOM 23 CG2 THR A 2 16.739 -37.025 24.970 1.00 40.81 C ATOM 24 1HG2 THR A 2 17.491 -37.799 24.820 1.00 40.81 H ATOM 25 2HG2 THR A 2 16.374 -36.690 24.001 1.00 40.81 H ATOM 26 3HG2 THR A 2 15.915 -37.449 25.545 1.00 40.81 H ATOM 27 N CYS A 3 17.504 -32.712 26.455 1.00 29.65 N ATOM 28 H CYS A 3 17.657 -32.687 25.462 1.00 29.65 H ATOM 29 CA CYS A 3 17.828 -31.515 27.211 1.00 29.65 C ATOM 30 HA CYS A 3 17.547 -31.631 28.259 1.00 29.65 H ATOM 31 C CYS A 3 16.979 -30.450 26.531 1.00 29.65 C ATOM 32 O CYS A 3 16.674 -30.606 25.345 1.00 29.65 O ATOM 33 CB CYS A 3 19.315 -31.188 27.076 1.00 29.65 C ATOM 34 1HB CYS A 3 19.522 -30.935 26.037 1.00 29.65 H ATOM 35 2HB CYS A 3 19.547 -30.325 27.694 1.00 29.65 H ATOM 36 SG CYS A 3 20.407 -32.563 27.545 1.00 29.65 S ATOM 37 N ASP A 4 16.605 -29.389 27.229 1.00 27.73 N ATOM 38 H ASP A 4 16.859 -29.290 28.198 1.00 27.73 H ATOM 39 CA ASP A 4 15.823 -28.305 26.635 1.00 27.73 C ATOM 40 HA ASP A 4 16.091 -28.198 25.583 1.00 27.73 H ATOM 41 C ASP A 4 16.162 -27.009 27.363 1.00 27.73 C ATOM 42 O ASP A 4 16.915 -27.039 28.338 1.00 27.73 O ATOM 43 CB ASP A 4 14.325 -28.602 26.725 1.00 27.73 C ATOM 44 1HB ASP A 4 14.188 -29.682 26.790 1.00 27.73 H ATOM 45 2HB ASP A 4 13.916 -28.145 27.624 1.00 27.73 H ATOM 46 CG ASP A 4 13.578 -28.104 25.506 1.00 27.73 C ATOM 47 OD1 ASP A 4 13.863 -26.981 25.045 1.00 27.73 O ATOM 48 OD2 ASP A 4 12.791 -28.888 24.938 1.00 27.73 O ATOM 49 N ILE A 5 15.652 -25.883 26.903 1.00-15.90 N ATOM 50 H ILE A 5 14.981 -25.928 26.127 1.00-15.90 H ATOM 51 CA ILE A 5 15.983 -24.576 27.466 1.00-15.90 C ATOM 52 HA ILE A 5 16.988 -24.606 27.884 1.00-15.90 H ATOM 53 C ILE A 5 14.986 -24.258 28.581 1.00-15.90 C ATOM 54 O ILE A 5 13.777 -24.358 28.393 1.00-15.90 O ATOM 55 CB ILE A 5 15.928 -23.474 26.356 1.00-15.90 C ATOM 56 HB ILE A 5 14.913 -23.438 25.959 1.00-15.90 H ATOM 57 CG1 ILE A 5 16.890 -23.838 25.201 1.00-15.90 C ATOM 58 1HG1 ILE A 5 17.914 -23.785 25.574 1.00-15.90 H ATOM 59 2HG1 ILE A 5 16.704 -24.862 24.884 1.00-15.90 H ATOM 60 CG2 ILE A 5 16.285 -22.075 26.934 1.00-15.90 C ATOM 61 1HG2 ILE A 5 16.210 -21.316 26.156 1.00-15.90 H ATOM 62 2HG2 ILE A 5 17.298 -22.073 27.338 1.00-15.90 H ATOM 63 3HG2 ILE A 5 15.581 -21.801 27.718 1.00-15.90 H ATOM 64 CD1 ILE A 5 16.784 -22.961 23.944 1.00-15.90 C ATOM 65 1HD1 ILE A 5 17.420 -23.375 23.162 1.00-15.90 H ATOM 66 2HD1 ILE A 5 17.111 -21.944 24.159 1.00-15.90 H ATOM 67 3HD1 ILE A 5 15.752 -22.946 23.590 1.00-15.90 H ATOM 68 N LEU A 6 15.475 -23.838 29.741 1.00 43.00 N ATOM 69 H LEU A 6 16.468 -23.787 29.880 1.00 43.00 H ATOM 70 CA LEU A 6 14.582 -23.295 30.762 1.00 43.00 C ATOM 71 HA LEU A 6 13.674 -23.894 30.816 1.00 43.00 H ATOM 72 C LEU A 6 14.242 -21.884 30.299 1.00 43.00 C ATOM 73 O LEU A 6 15.133 -21.044 30.195 1.00 43.00 O ATOM 74 CB LEU A 6 15.257 -23.224 32.140 1.00 43.00 C ATOM 75 1HB LEU A 6 15.570 -24.222 32.422 1.00 43.00 H ATOM 76 2HB LEU A 6 16.154 -22.613 32.040 1.00 43.00 H ATOM 77 CG LEU A 6 14.423 -22.637 33.295 1.00 43.00 C ATOM 78 HG LEU A 6 14.096 -21.642 33.007 1.00 43.00 H ATOM 79 CD1 LEU A 6 13.182 -23.470 33.636 1.00 43.00 C ATOM 80 1HD1 LEU A 6 12.642 -22.982 34.448 1.00 43.00 H ATOM 81 2HD1 LEU A 6 13.470 -24.471 33.957 1.00 43.00 H ATOM 82 3HD1 LEU A 6 12.519 -23.529 32.776 1.00 43.00 H ATOM 83 CD2 LEU A 6 15.287 -22.496 34.540 1.00 43.00 C ATOM 84 1HD2 LEU A 6 14.712 -21.989 35.318 1.00 43.00 H ATOM 85 2HD2 LEU A 6 16.166 -21.891 34.318 1.00 43.00 H ATOM 86 3HD2 LEU A 6 15.590 -23.474 34.913 1.00 43.00 H ATOM 87 N SER A 7 12.981 -21.612 30.010 1.00 7.88 N ATOM 88 H SER A 7 12.289 -22.342 30.018 1.00 7.88 H ATOM 89 CA SER A 7 12.584 -20.232 29.755 1.00 7.88 C ATOM 90 HA SER A 7 13.283 -19.766 29.060 1.00 7.88 H ATOM 91 C SER A 7 12.653 -19.537 31.103 1.00 7.88 C ATOM 92 O SER A 7 12.202 -20.090 32.100 1.00 7.88 O ATOM 93 CB SER A 7 11.158 -20.125 29.214 1.00 7.88 C ATOM 94 1HB SER A 7 11.102 -20.605 28.236 1.00 7.88 H ATOM 95 2HB SER A 7 10.473 -20.621 29.902 1.00 7.88 H ATOM 96 OG SER A 7 10.798 -18.758 29.100 1.00 7.88 O ATOM 97 HG SER A 7 9.894 -18.695 28.737 1.00 7.88 H ATOM 98 N PHE A 8 13.155 -18.311 31.136 1.00-23.32 N ATOM 99 H PHE A 8 13.491 -17.896 30.282 1.00-23.32 H ATOM 100 CA PHE A 8 13.292 -17.545 32.379 1.00-23.32 C ATOM 101 HA PHE A 8 13.717 -18.204 33.138 1.00-23.32 H ATOM 102 C PHE A 8 11.957 -17.027 32.915 1.00-23.32 C ATOM 103 O PHE A 8 11.883 -16.360 33.938 1.00-23.32 O ATOM 104 CB PHE A 8 14.261 -16.387 32.145 1.00-23.32 C ATOM 105 1HB PHE A 8 13.800 -15.675 31.460 1.00-23.32 H ATOM 106 2HB PHE A 8 14.443 -15.883 33.094 1.00-23.32 H ATOM 107 CG PHE A 8 15.578 -16.828 31.567 1.00-23.32 C ATOM 108 CD1 PHE A 8 15.916 -16.512 30.238 1.00-23.32 C ATOM 109 HD1 PHE A 8 15.243 -15.918 29.636 1.00-23.32 H ATOM 110 CD2 PHE A 8 16.474 -17.589 32.340 1.00-23.32 C ATOM 111 HD2 PHE A 8 16.229 -17.834 33.364 1.00-23.32 H ATOM 112 CE1 PHE A 8 17.131 -16.971 29.670 1.00-23.32 C ATOM 113 HE1 PHE A 8 17.378 -16.728 28.647 1.00-23.32 H ATOM 114 CE2 PHE A 8 17.694 -18.053 31.788 1.00-23.32 C ATOM 115 HE2 PHE A 8 18.368 -18.645 32.389 1.00-23.32 H ATOM 116 CZ PHE A 8 18.019 -17.748 30.448 1.00-23.32 C ATOM 117 HZ PHE A 8 18.943 -18.108 30.019 1.00-23.32 H ATOM 118 N GLN A 9 10.887 -17.401 32.230 1.00 -7.16 N ATOM 119 H GLN A 9 11.023 -17.901 31.363 1.00 -7.16 H ATOM 120 CA GLN A 9 9.519 -17.235 32.712 1.00 -7.16 C ATOM 121 HA GLN A 9 9.381 -16.234 33.121 1.00 -7.16 H ATOM 122 C GLN A 9 9.209 -18.269 33.800 1.00 -7.16 C ATOM 123 O GLN A 9 8.136 -18.249 34.392 1.00 -7.16 O ATOM 124 CB GLN A 9 8.558 -17.462 31.543 1.00 -7.16 C ATOM 125 1HB GLN A 9 8.758 -18.453 31.136 1.00 -7.16 H ATOM 126 2HB GLN A 9 7.533 -17.445 31.913 1.00 -7.16 H ATOM 127 CG GLN A 9 8.681 -16.439 30.417 1.00 -7.16 C ATOM 128 1HG GLN A 9 8.320 -15.474 30.772 1.00 -7.16 H ATOM 129 2HG GLN A 9 9.724 -16.334 30.123 1.00 -7.16 H ATOM 130 CD GLN A 9 7.894 -16.855 29.196 1.00 -7.16 C ATOM 131 OE1 GLN A 9 8.193 -17.863 28.572 1.00 -7.16 O ATOM 132 NE2 GLN A 9 6.899 -16.090 28.836 1.00 -7.16 N ATOM 133 1HE2 GLN A 9 6.367 -16.354 28.024 1.00 -7.16 H ATOM 134 2HE2 GLN A 9 6.668 -15.270 29.369 1.00 -7.16 H ATOM 135 N SER A 10 10.134 -19.188 34.041 1.00 18.05 N ATOM 136 H SER A 10 11.019 -19.169 33.541 1.00 18.05 H ATOM 137 CA SER A 10 9.974 -20.247 35.026 1.00 18.05 C ATOM 138 HA SER A 10 9.171 -19.997 35.719 1.00 18.05 H ATOM 139 C SER A 10 11.277 -20.381 35.802 1.00 18.05 C ATOM 140 O SER A 10 12.340 -20.014 35.312 1.00 18.05 O ATOM 141 CB SER A 10 9.644 -21.558 34.314 1.00 18.05 C ATOM 142 1HB SER A 10 8.700 -21.445 33.780 1.00 18.05 H ATOM 143 2HB SER A 10 10.435 -21.786 33.599 1.00 18.05 H ATOM 144 OG SER A 10 9.533 -22.617 35.245 1.00 18.05 O ATOM 145 HG SER A 10 9.052 -23.343 34.828 1.00 18.05 H ATOM 146 N GLN A 11 11.182 -20.901 37.018 1.00 -9.62 N ATOM 147 H GLN A 11 10.275 -21.193 37.349 1.00 -9.62 H ATOM 148 CA GLN A 11 12.327 -21.061 37.917 1.00 -9.62 C ATOM 149 HA GLN A 11 13.246 -20.810 37.387 1.00 -9.62 H ATOM 150 C GLN A 11 12.423 -22.520 38.365 1.00 -9.62 C ATOM 151 O GLN A 11 12.935 -22.843 39.433 1.00 -9.62 O ATOM 152 CB GLN A 11 12.179 -20.127 39.123 1.00 -9.62 C ATOM 153 1HB GLN A 11 11.263 -20.384 39.655 1.00 -9.62 H ATOM 154 2HB GLN A 11 13.025 -20.282 39.794 1.00 -9.62 H ATOM 155 CG GLN A 11 12.133 -18.645 38.755 1.00 -9.62 C ATOM 156 1HG GLN A 11 13.025 -18.395 38.182 1.00 -9.62 H ATOM 157 2HG GLN A 11 11.257 -18.448 38.139 1.00 -9.62 H ATOM 158 CD GLN A 11 12.068 -17.754 39.975 1.00 -9.62 C ATOM 159 OE1 GLN A 11 11.181 -17.870 40.802 1.00 -9.62 O ATOM 160 NE2 GLN A 11 13.014 -16.860 40.103 1.00 -9.62 N ATOM 161 1HE2 GLN A 11 12.992 -16.263 40.911 1.00 -9.62 H ATOM 162 2HE2 GLN A 11 13.730 -16.780 39.405 1.00 -9.62 H ATOM 163 N TRP A 12 11.866 -23.405 37.552 1.00 -3.62 N ATOM 164 H TRP A 12 11.428 -23.090 36.700 1.00 -3.62 H ATOM 165 CA TRP A 12 11.926 -24.840 37.822 1.00 -3.62 C ATOM 166 HA TRP A 12 11.604 -25.038 38.844 1.00 -3.62 H ATOM 167 C TRP A 12 13.359 -25.333 37.646 1.00 -3.62 C ATOM 168 O TRP A 12 14.184 -24.656 37.031 1.00 -3.62 O ATOM 169 CB TRP A 12 11.020 -25.591 36.843 1.00 -3.62 C ATOM 170 1HB TRP A 12 11.339 -25.349 35.829 1.00 -3.62 H ATOM 171 2HB TRP A 12 11.137 -26.664 36.990 1.00 -3.62 H ATOM 172 CG TRP A 12 9.561 -25.245 36.979 1.00 -3.62 C ATOM 173 CD1 TRP A 12 8.925 -24.723 38.067 1.00 -3.62 C ATOM 174 HD1 TRP A 12 9.414 -24.503 39.008 1.00 -3.62 H ATOM 175 CD2 TRP A 12 8.543 -25.375 35.970 1.00 -3.62 C ATOM 176 NE1 TRP A 12 7.600 -24.501 37.815 1.00 -3.62 N ATOM 177 HE1 TRP A 12 6.947 -24.119 38.483 1.00 -3.62 H ATOM 178 CE2 TRP A 12 7.331 -24.868 36.525 1.00 -3.62 C ATOM 179 CE3 TRP A 12 8.546 -25.803 34.626 1.00 -3.62 C ATOM 180 HE3 TRP A 12 9.452 -26.183 34.177 1.00 -3.62 H ATOM 181 CZ2 TRP A 12 6.136 -24.789 35.781 1.00 -3.62 C ATOM 182 HZ2 TRP A 12 5.232 -24.396 36.223 1.00 -3.62 H ATOM 183 CZ3 TRP A 12 7.344 -25.727 33.873 1.00 -3.62 C ATOM 184 HZ3 TRP A 12 7.332 -26.061 32.845 1.00 -3.62 H ATOM 185 CH2 TRP A 12 6.151 -25.218 34.465 1.00 -3.62 C ATOM 186 HH2 TRP A 12 5.245 -25.167 33.877 1.00 -3.62 H ATOM 187 N VAL A 13 13.640 -26.540 38.121 1.00 -9.03 N ATOM 188 H VAL A 13 12.939 -27.059 38.619 1.00 -9.03 H ATOM 189 CA VAL A 13 14.927 -27.178 37.852 1.00 -9.03 C ATOM 190 HA VAL A 13 15.727 -26.525 38.200 1.00 -9.03 H ATOM 191 C VAL A 13 14.994 -27.298 36.333 1.00 -9.03 C ATOM 192 O VAL A 13 14.041 -27.745 35.696 1.00 -9.03 O ATOM 193 CB VAL A 13 15.048 -28.573 38.529 1.00 -9.03 C ATOM 194 HB VAL A 13 14.242 -29.208 38.162 1.00 -9.03 H ATOM 195 CG1 VAL A 13 16.392 -29.246 38.195 1.00 -9.03 C ATOM 196 1HG1 VAL A 13 16.444 -30.219 38.687 1.00 -9.03 H ATOM 197 2HG1 VAL A 13 17.222 -28.629 38.542 1.00 -9.03 H ATOM 198 3HG1 VAL A 13 16.476 -29.403 37.120 1.00 -9.03 H ATOM 199 CG2 VAL A 13 14.903 -28.443 40.055 1.00 -9.03 C ATOM 200 1HG2 VAL A 13 15.019 -29.424 40.520 1.00 -9.03 H ATOM 201 2HG2 VAL A 13 13.917 -28.060 40.312 1.00 -9.03 H ATOM 202 3HG2 VAL A 13 15.664 -27.768 40.452 1.00 -9.03 H ATOM 203 N THR A 14 16.083 -26.820 35.751 1.00 35.15 N ATOM 204 H THR A 14 16.846 -26.492 36.315 1.00 35.15 H ATOM 205 CA THR A 14 16.153 -26.670 34.303 1.00 35.15 C ATOM 206 HA THR A 14 15.342 -26.002 34.026 1.00 35.15 H ATOM 207 C THR A 14 15.947 -28.000 33.574 1.00 35.15 C ATOM 208 O THR A 14 16.569 -29.016 33.932 1.00 35.15 O ATOM 209 CB THR A 14 17.483 -26.003 33.856 1.00 35.15 C ATOM 210 HB THR A 14 17.441 -24.942 34.100 1.00 35.15 H ATOM 211 OG1 THR A 14 17.642 -26.149 32.442 1.00 35.15 O ATOM 212 HG1 THR A 14 18.288 -25.495 32.153 1.00 35.15 H ATOM 213 CG2 THR A 14 18.720 -26.605 34.523 1.00 35.15 C ATOM 214 1HG2 THR A 14 19.616 -26.205 34.048 1.00 35.15 H ATOM 215 2HG2 THR A 14 18.720 -27.689 34.427 1.00 35.15 H ATOM 216 3HG2 THR A 14 18.747 -26.333 35.578 1.00 35.15 H ATOM 217 N PRO A 15 15.105 -28.021 32.519 1.00 31.63 N ATOM 218 CA PRO A 15 14.917 -29.303 31.833 1.00 31.63 C ATOM 219 HA PRO A 15 14.620 -30.074 32.541 1.00 31.63 H ATOM 220 C PRO A 15 16.164 -29.764 31.095 1.00 31.63 C ATOM 221 O PRO A 15 16.275 -30.936 30.763 1.00 31.63 O ATOM 222 CB PRO A 15 13.760 -29.012 30.873 1.00 31.63 C ATOM 223 1HB PRO A 15 13.835 -29.622 29.972 1.00 31.63 H ATOM 224 2HB PRO A 15 12.807 -29.186 31.373 1.00 31.63 H ATOM 225 CG PRO A 15 13.904 -27.578 30.564 1.00 31.63 C ATOM 226 1HG PRO A 15 14.702 -27.428 29.839 1.00 31.63 H ATOM 227 2HG PRO A 15 12.967 -27.160 30.194 1.00 31.63 H ATOM 228 CD PRO A 15 14.279 -26.973 31.886 1.00 31.63 C ATOM 229 1HD PRO A 15 14.854 -26.066 31.729 1.00 31.63 H ATOM 230 2HD PRO A 15 13.390 -26.775 32.487 1.00 31.63 H ATOM 231 N ASN A 16 17.130 -28.874 30.903 1.00 46.39 N ATOM 232 H ASN A 16 16.980 -27.908 31.169 1.00 46.39 H ATOM 233 CA ASN A 16 18.413 -29.248 30.320 1.00 46.39 C ATOM 234 HA ASN A 16 18.236 -29.618 29.319 1.00 46.39 H ATOM 235 C ASN A 16 19.055 -30.370 31.125 1.00 46.39 C ATOM 236 O ASN A 16 19.429 -31.392 30.580 1.00 46.39 O ATOM 237 CB ASN A 16 19.335 -28.026 30.236 1.00 46.39 C ATOM 238 1HB ASN A 16 18.721 -27.137 30.112 1.00 46.39 H ATOM 239 2HB ASN A 16 19.909 -27.921 31.155 1.00 46.39 H ATOM 240 CG ASN A 16 20.279 -28.091 29.064 1.00 46.39 C ATOM 241 OD1 ASN A 16 21.357 -28.644 29.144 1.00 46.39 O ATOM 242 ND2 ASN A 16 19.868 -27.533 27.960 1.00 46.39 N ATOM 243 1HD2 ASN A 16 20.481 -27.518 27.161 1.00 46.39 H ATOM 244 2HD2 ASN A 16 18.939 -27.127 27.919 1.00 46.39 H ATOM 245 N HIS A 17 19.108 -30.215 32.439 1.00 30.58 N ATOM 246 H HIS A 17 18.740 -29.380 32.866 1.00 30.58 H ATOM 247 CA HIS A 17 19.680 -31.265 33.273 1.00 30.58 C ATOM 248 HA HIS A 17 20.475 -31.760 32.715 1.00 30.58 H ATOM 249 C HIS A 17 18.624 -32.306 33.647 1.00 30.58 C ATOM 250 O HIS A 17 18.903 -33.505 33.649 1.00 30.58 O ATOM 251 CB HIS A 17 20.291 -30.655 34.539 1.00 30.58 C ATOM 252 1HB HIS A 17 20.780 -29.719 34.269 1.00 30.58 H ATOM 253 2HB HIS A 17 19.494 -30.433 35.249 1.00 30.58 H ATOM 254 CG HIS A 17 21.314 -31.529 35.200 1.00 30.58 C ATOM 255 ND1 HIS A 17 21.201 -32.892 35.359 1.00 30.58 N ATOM 256 HD1 HIS A 17 20.436 -33.476 35.030 1.00 30.58 H ATOM 257 CD2 HIS A 17 22.517 -31.214 35.749 1.00 30.58 C ATOM 258 HD2 HIS A 17 22.935 -30.219 35.793 1.00 30.58 H ATOM 259 CE1 HIS A 17 22.286 -33.329 35.997 1.00 30.58 C ATOM 260 HE1 HIS A 17 22.465 -34.364 36.260 1.00 30.58 H ATOM 261 NE2 HIS A 17 23.123 -32.343 36.251 1.00 30.58 N ATOM 262 N ALA A 18 17.422 -31.864 33.994 1.00 13.82 N ATOM 263 H ALA A 18 17.207 -30.871 33.945 1.00 13.82 H ATOM 264 CA ALA A 18 16.408 -32.772 34.526 1.00 13.82 C ATOM 265 HA ALA A 18 16.853 -33.322 35.356 1.00 13.82 H ATOM 266 C ALA A 18 15.932 -33.808 33.502 1.00 13.82 C ATOM 267 O ALA A 18 15.777 -34.984 33.836 1.00 13.82 O ATOM 268 CB ALA A 18 15.219 -31.962 35.066 1.00 13.82 C ATOM 269 1HB ALA A 18 15.562 -31.257 35.823 1.00 13.82 H ATOM 270 2HB ALA A 18 14.495 -32.643 35.519 1.00 13.82 H ATOM 271 3HB ALA A 18 14.733 -31.416 34.260 1.00 13.82 H ATOM 272 N GLY A 19 15.730 -33.387 32.261 1.00 5.18 N ATOM 273 H GLY A 19 15.896 -32.420 32.001 1.00 5.18 H ATOM 274 CA GLY A 19 15.258 -34.306 31.240 1.00 5.18 C ATOM 275 1HA GLY A 19 14.367 -34.821 31.597 1.00 5.18 H ATOM 276 2HA GLY A 19 15.018 -33.754 30.331 1.00 5.18 H ATOM 277 C GLY A 19 16.324 -35.331 30.925 1.00 5.18 C ATOM 278 O GLY A 19 16.033 -36.512 30.786 1.00 5.18 O ATOM 279 N CYS A 20 17.574 -34.892 30.893 1.00 7.51 N ATOM 280 H CYS A 20 17.755 -33.913 31.052 1.00 7.51 H ATOM 281 CA CYS A 20 18.695 -35.777 30.602 1.00 7.51 C ATOM 282 HA CYS A 20 18.504 -36.310 29.671 1.00 7.51 H ATOM 283 C CYS A 20 18.864 -36.807 31.711 1.00 7.51 C ATOM 284 O CYS A 20 19.087 -37.993 31.449 1.00 7.51 O ATOM 285 CB CYS A 20 19.969 -34.943 30.456 1.00 7.51 C ATOM 286 1HB CYS A 20 19.831 -34.249 29.629 1.00 7.51 H ATOM 287 2HB CYS A 20 20.105 -34.359 31.365 1.00 7.51 H ATOM 288 SG CYS A 20 21.492 -35.905 30.181 1.00 7.51 S ATOM 289 N ALA A 21 18.715 -36.366 32.952 1.00 -5.14 N ATOM 290 H ALA A 21 18.542 -35.380 33.124 1.00 -5.14 H ATOM 291 CA ALA A 21 18.802 -37.282 34.076 1.00 -5.14 C ATOM 292 HA ALA A 21 19.758 -37.784 34.019 1.00 -5.14 H ATOM 293 C ALA A 21 17.719 -38.355 33.978 1.00 -5.14 C ATOM 294 O ALA A 21 18.027 -39.543 34.020 1.00 -5.14 O ATOM 295 CB ALA A 21 18.717 -36.516 35.402 1.00 -5.14 C ATOM 296 1HB ALA A 21 19.553 -35.820 35.477 1.00 -5.14 H ATOM 297 2HB ALA A 21 18.765 -37.221 36.234 1.00 -5.14 H ATOM 298 3HB ALA A 21 17.778 -35.962 35.458 1.00 -5.14 H ATOM 299 N LEU A 22 16.470 -37.947 33.799 1.00-21.08 N ATOM 300 H LEU A 22 16.271 -36.951 33.727 1.00-21.08 H ATOM 301 CA LEU A 22 15.363 -38.900 33.727 1.00-21.08 C ATOM 302 HA LEU A 22 15.353 -39.490 34.643 1.00-21.08 H ATOM 303 C LEU A 22 15.518 -39.856 32.550 1.00-21.08 C ATOM 304 O LEU A 22 15.321 -41.062 32.687 1.00-21.08 O ATOM 305 CB LEU A 22 14.040 -38.136 33.603 1.00-21.08 C ATOM 306 1HB LEU A 22 13.969 -37.445 34.444 1.00-21.08 H ATOM 307 2HB LEU A 22 14.081 -37.542 32.690 1.00-21.08 H ATOM 308 CG LEU A 22 12.752 -38.975 33.557 1.00-21.08 C ATOM 309 HG LEU A 22 12.803 -39.636 32.696 1.00-21.08 H ATOM 310 CD1 LEU A 22 12.545 -39.833 34.808 1.00-21.08 C ATOM 311 1HD1 LEU A 22 11.593 -40.361 34.739 1.00-21.08 H ATOM 312 2HD1 LEU A 22 12.548 -39.208 35.702 1.00-21.08 H ATOM 313 3HD1 LEU A 22 13.338 -40.578 34.882 1.00-21.08 H ATOM 314 CD2 LEU A 22 11.552 -38.052 33.368 1.00-21.08 C ATOM 315 1HD2 LEU A 22 10.642 -38.646 33.284 1.00-21.08 H ATOM 316 2HD2 LEU A 22 11.674 -37.472 32.452 1.00-21.08 H ATOM 317 3HD2 LEU A 22 11.461 -37.371 34.216 1.00-21.08 H ATOM 318 N HIS A 23 15.936 -39.324 31.411 1.00 11.49 N ATOM 319 H HIS A 23 16.117 -38.320 31.373 1.00 11.49 H ATOM 320 CA HIS A 23 16.128 -40.099 30.189 1.00 11.49 C ATOM 321 HA HIS A 23 15.167 -40.510 29.883 1.00 11.49 H ATOM 322 C HIS A 23 17.089 -41.267 30.387 1.00 11.49 C ATOM 323 O HIS A 23 16.907 -42.324 29.787 1.00 11.49 O ATOM 324 CB HIS A 23 16.635 -39.156 29.092 1.00 11.49 C ATOM 325 1HB HIS A 23 15.919 -38.343 28.983 1.00 11.49 H ATOM 326 2HB HIS A 23 17.591 -38.736 29.398 1.00 11.49 H ATOM 327 CG HIS A 23 16.806 -39.804 27.755 1.00 11.49 C ATOM 328 ND1 HIS A 23 15.775 -40.298 26.993 1.00 11.49 N ATOM 329 HD1 HIS A 23 14.797 -40.298 27.246 1.00 11.49 H ATOM 330 CD2 HIS A 23 17.925 -40.010 27.015 1.00 11.49 C ATOM 331 HD2 HIS A 23 18.924 -39.724 27.317 1.00 11.49 H ATOM 332 CE1 HIS A 23 16.288 -40.762 25.852 1.00 11.49 C ATOM 333 HE1 HIS A 23 15.704 -41.200 25.053 1.00 11.49 H ATOM 334 NE2 HIS A 23 17.600 -40.624 25.824 1.00 11.49 N ATOM 335 N CYS A 24 18.076 -41.115 31.260 1.00 2.06 N ATOM 336 H CYS A 24 18.204 -40.219 31.722 1.00 2.06 H ATOM 337 CA CYS A 24 18.973 -42.221 31.584 1.00 2.06 C ATOM 338 HA CYS A 24 18.889 -42.959 30.791 1.00 2.06 H ATOM 339 C CYS A 24 18.668 -42.998 32.866 1.00 2.06 C ATOM 340 O CYS A 24 19.046 -44.164 32.948 1.00 2.06 O ATOM 341 CB CYS A 24 20.414 -41.735 31.529 1.00 2.06 C ATOM 342 1HB CYS A 24 20.486 -40.738 31.966 1.00 2.06 H ATOM 343 2HB CYS A 24 21.049 -42.420 32.087 1.00 2.06 H ATOM 344 SG CYS A 24 20.960 -41.719 29.791 1.00 2.06 S ATOM 345 N VAL A 25 17.893 -42.465 33.799 1.00 -1.41 N ATOM 346 H VAL A 25 17.632 -41.481 33.750 1.00 -1.41 H ATOM 347 CA VAL A 25 17.380 -43.278 34.914 1.00 -1.41 C ATOM 348 HA VAL A 25 18.212 -43.771 35.412 1.00 -1.41 H ATOM 349 C VAL A 25 16.474 -44.376 34.349 1.00 -1.41 C ATOM 350 O VAL A 25 16.554 -45.531 34.763 1.00 -1.41 O ATOM 351 CB VAL A 25 16.628 -42.407 35.969 1.00 -1.41 C ATOM 352 HB VAL A 25 15.896 -41.788 35.453 1.00 -1.41 H ATOM 353 CG1 VAL A 25 15.888 -43.263 37.011 1.00 -1.41 C ATOM 354 1HG1 VAL A 25 15.434 -42.620 37.764 1.00 -1.41 H ATOM 355 2HG1 VAL A 25 16.588 -43.949 37.495 1.00 -1.41 H ATOM 356 3HG1 VAL A 25 15.098 -43.841 36.530 1.00 -1.41 H ATOM 357 CG2 VAL A 25 17.621 -41.498 36.713 1.00 -1.41 C ATOM 358 1HG2 VAL A 25 17.084 -40.840 37.394 1.00 -1.41 H ATOM 359 2HG2 VAL A 25 18.183 -40.892 36.013 1.00 -1.41 H ATOM 360 3HG2 VAL A 25 18.329 -42.105 37.285 1.00 -1.41 H ATOM 361 N ILE A 26 15.704 -44.057 33.316 1.00-20.39 N ATOM 362 H ILE A 26 15.678 -43.089 33.001 1.00-20.39 H ATOM 363 CA ILE A 26 14.867 -45.044 32.613 1.00-20.39 C ATOM 364 HA ILE A 26 14.187 -45.507 33.329 1.00-20.39 H ATOM 365 C ILE A 26 15.723 -46.175 32.012 1.00-20.39 C ATOM 366 O ILE A 26 15.284 -47.313 31.870 1.00-20.39 O ATOM 367 CB ILE A 26 14.014 -44.316 31.514 1.00-20.39 C ATOM 368 HB ILE A 26 14.691 -43.730 30.891 1.00-20.39 H ATOM 369 CG1 ILE A 26 13.000 -43.365 32.186 1.00-20.39 C ATOM 370 1HG1 ILE A 26 12.209 -43.966 32.636 1.00-20.39 H ATOM 371 2HG1 ILE A 26 13.491 -42.824 32.992 1.00-20.39 H ATOM 372 CG2 ILE A 26 13.244 -45.309 30.599 1.00-20.39 C ATOM 373 1HG2 ILE A 26 12.651 -44.774 29.860 1.00-20.39 H ATOM 374 2HG2 ILE A 26 12.585 -45.941 31.201 1.00-20.39 H ATOM 375 3HG2 ILE A 26 13.946 -45.949 30.064 1.00-20.39 H ATOM 376 CD1 ILE A 26 12.356 -42.320 31.260 1.00-20.39 C ATOM 377 1HD1 ILE A 26 11.712 -41.669 31.850 1.00-20.39 H ATOM 378 2HD1 ILE A 26 11.753 -42.807 30.494 1.00-20.39 H ATOM 379 3HD1 ILE A 26 13.132 -41.717 30.788 1.00-20.39 H ATOM 380 N LYS A 27 16.983 -45.890 31.717 1.00 -6.11 N ATOM 381 H LYS A 27 17.336 -44.969 31.940 1.00 -6.11 H ATOM 382 CA LYS A 27 17.902 -46.866 31.121 1.00 -6.11 C ATOM 383 HA LYS A 27 17.322 -47.643 30.620 1.00 -6.11 H ATOM 384 C LYS A 27 18.789 -47.548 32.164 1.00 -6.11 C ATOM 385 O LYS A 27 19.743 -48.246 31.804 1.00 -6.11 O ATOM 386 CB LYS A 27 18.781 -46.163 30.085 1.00 -6.11 C ATOM 387 1HB LYS A 27 19.361 -45.403 30.600 1.00 -6.11 H ATOM 388 2HB LYS A 27 19.468 -46.888 29.649 1.00 -6.11 H ATOM 389 CG LYS A 27 18.023 -45.489 28.959 1.00 -6.11 C ATOM 390 1HG LYS A 27 17.488 -46.234 28.370 1.00 -6.11 H ATOM 391 2HG LYS A 27 17.310 -44.783 29.374 1.00 -6.11 H ATOM 392 CD LYS A 27 19.004 -44.735 28.082 1.00 -6.11 C ATOM 393 1HD LYS A 27 19.600 -44.078 28.715 1.00 -6.11 H ATOM 394 2HD LYS A 27 19.664 -45.443 27.581 1.00 -6.11 H ATOM 395 CE LYS A 27 18.278 -43.888 27.056 1.00 -6.11 C ATOM 396 1HE LYS A 27 17.683 -44.530 26.404 1.00 -6.11 H ATOM 397 2HE LYS A 27 17.606 -43.201 27.580 1.00 -6.11 H ATOM 398 NZ LYS A 27 19.255 -43.092 26.246 1.00 -6.11 N ATOM 399 1HZ LYS A 27 18.750 -42.415 25.680 1.00 -6.11 H ATOM 400 2HZ LYS A 27 19.796 -43.699 25.648 1.00 -6.11 H ATOM 401 3HZ LYS A 27 19.872 -42.583 26.864 1.00 -6.11 H ATOM 402 N GLY A 28 18.506 -47.340 33.442 1.00 -4.31 N ATOM 403 H GLY A 28 17.722 -46.744 33.702 1.00 -4.31 H ATOM 404 CA GLY A 28 19.267 -47.984 34.503 1.00 -4.31 C ATOM 405 1HA GLY A 28 18.646 -48.009 35.399 1.00 -4.31 H ATOM 406 2HA GLY A 28 19.474 -49.013 34.212 1.00 -4.31 H ATOM 407 C GLY A 28 20.583 -47.327 34.872 1.00 -4.31 C ATOM 408 O GLY A 28 21.538 -48.006 35.251 1.00 -4.31 O ATOM 409 N TYR A 29 20.672 -46.015 34.733 1.00 9.99 N ATOM 410 H TYR A 29 19.868 -45.484 34.414 1.00 9.99 H ATOM 411 CA TYR A 29 21.865 -45.265 35.125 1.00 9.99 C ATOM 412 HA TYR A 29 22.718 -45.919 35.298 1.00 9.99 H ATOM 413 C TYR A 29 21.462 -44.577 36.425 1.00 9.99 C ATOM 414 O TYR A 29 20.280 -44.304 36.611 1.00 9.99 O ATOM 415 CB TYR A 29 22.204 -44.192 34.083 1.00 9.99 C ATOM 416 1HB TYR A 29 21.313 -43.597 33.912 1.00 9.99 H ATOM 417 2HB TYR A 29 22.949 -43.530 34.504 1.00 9.99 H ATOM 418 CG TYR A 29 22.727 -44.686 32.743 1.00 9.99 C ATOM 419 CD1 TYR A 29 21.907 -45.399 31.848 1.00 9.99 C ATOM 420 HD1 TYR A 29 20.896 -45.639 32.135 1.00 9.99 H ATOM 421 CD2 TYR A 29 24.045 -44.395 32.341 1.00 9.99 C ATOM 422 HD2 TYR A 29 24.686 -43.831 32.993 1.00 9.99 H ATOM 423 CE1 TYR A 29 22.392 -45.818 30.581 1.00 9.99 C ATOM 424 HE1 TYR A 29 21.749 -46.367 29.913 1.00 9.99 H ATOM 425 CE2 TYR A 29 24.540 -44.819 31.079 1.00 9.99 C ATOM 426 HE2 TYR A 29 25.554 -44.589 30.784 1.00 9.99 H ATOM 427 CZ TYR A 29 23.706 -45.527 30.214 1.00 9.99 C ATOM 428 OH TYR A 29 24.188 -45.947 29.002 1.00 9.99 O ATOM 429 HH TYR A 29 23.522 -46.375 28.460 1.00 9.99 H ATOM 430 N LYS A 30 22.409 -44.226 37.287 1.00-12.56 N ATOM 431 H LYS A 30 23.367 -44.555 37.153 1.00-12.56 H ATOM 432 CA LYS A 30 22.104 -43.354 38.432 1.00-12.56 C ATOM 433 HA LYS A 30 21.317 -43.801 39.040 1.00-12.56 H ATOM 434 C LYS A 30 21.601 -42.004 37.948 1.00-12.56 C ATOM 435 O LYS A 30 20.809 -41.353 38.618 1.00-12.56 O ATOM 436 CB LYS A 30 23.346 -43.122 39.293 1.00-12.56 C ATOM 437 1HB LYS A 30 24.162 -42.825 38.632 1.00-12.56 H ATOM 438 2HB LYS A 30 23.151 -42.305 39.988 1.00-12.56 H ATOM 439 CG LYS A 30 23.772 -44.337 40.093 1.00-12.56 C ATOM 440 1HG LYS A 30 23.053 -44.531 40.890 1.00-12.56 H ATOM 441 2HG LYS A 30 23.786 -45.198 39.437 1.00-12.56 H ATOM 442 CD LYS A 30 25.161 -44.126 40.686 1.00-12.56 C ATOM 443 1HD LYS A 30 25.812 -43.691 39.927 1.00-12.56 H ATOM 444 2HD LYS A 30 25.088 -43.435 41.527 1.00-12.56 H ATOM 445 CE LYS A 30 25.780 -45.440 41.144 1.00-12.56 C ATOM 446 1HE LYS A 30 26.686 -45.228 41.715 1.00-12.56 H ATOM 447 2HE LYS A 30 25.071 -45.978 41.776 1.00-12.56 H ATOM 448 NZ LYS A 30 26.135 -46.268 39.940 1.00-12.56 N ATOM 449 1HZ LYS A 30 26.566 -47.137 40.208 1.00-12.56 H ATOM 450 2HZ LYS A 30 26.761 -45.741 39.330 1.00-12.56 H ATOM 451 3HZ LYS A 30 25.304 -46.448 39.382 1.00-12.56 H ATOM 452 N GLY A 31 22.052 -41.577 36.780 1.00 10.58 N ATOM 453 H GLY A 31 22.738 -42.116 36.262 1.00 10.58 H ATOM 454 CA GLY A 31 21.555 -40.335 36.226 1.00 10.58 C ATOM 455 1HA GLY A 31 20.476 -40.413 36.093 1.00 10.58 H ATOM 456 2HA GLY A 31 21.753 -39.535 36.938 1.00 10.58 H ATOM 457 C GLY A 31 22.176 -39.962 34.903 1.00 10.58 C ATOM 458 O GLY A 31 22.820 -40.759 34.217 1.00 10.58 O ATOM 459 N GLY A 32 21.996 -38.700 34.557 1.00 16.84 N ATOM 460 H GLY A 32 21.495 -38.066 35.167 1.00 16.84 H ATOM 461 CA GLY A 32 22.538 -38.144 33.338 1.00 16.84 C ATOM 462 1HA GLY A 32 23.469 -38.635 33.089 1.00 16.84 H ATOM 463 2HA GLY A 32 21.827 -38.229 32.515 1.00 16.84 H ATOM 464 C GLY A 32 22.822 -36.697 33.644 1.00 16.84 C ATOM 465 O GLY A 32 22.303 -36.177 34.633 1.00 16.84 O ATOM 466 N GLN A 33 23.670 -36.081 32.842 1.00 2.82 N ATOM 467 H GLN A 33 24.036 -36.577 32.022 1.00 2.82 H ATOM 468 CA GLN A 33 24.117 -34.713 33.035 1.00 2.82 C ATOM 469 HA GLN A 33 23.369 -34.136 33.578 1.00 2.82 H ATOM 470 C GLN A 33 24.287 -34.167 31.629 1.00 2.82 C ATOM 471 O GLN A 33 24.910 -34.802 30.782 1.00 2.82 O ATOM 472 CB GLN A 33 25.443 -34.725 33.799 1.00 2.82 C ATOM 473 1HB GLN A 33 25.279 -35.261 34.734 1.00 2.82 H ATOM 474 2HB GLN A 33 26.178 -35.276 33.211 1.00 2.82 H ATOM 475 CG GLN A 33 26.012 -33.352 34.118 1.00 2.82 C ATOM 476 1HG GLN A 33 26.229 -32.829 33.187 1.00 2.82 H ATOM 477 2HG GLN A 33 25.275 -32.778 34.675 1.00 2.82 H ATOM 478 CD GLN A 33 27.280 -33.437 34.941 1.00 2.82 C ATOM 479 OE1 GLN A 33 27.590 -34.461 35.543 1.00 2.82 O ATOM 480 NE2 GLN A 33 28.032 -32.370 34.968 1.00 2.82 N ATOM 481 1HE2 GLN A 33 28.884 -32.394 35.500 1.00 2.82 H ATOM 482 2HE2 GLN A 33 27.753 -31.544 34.466 1.00 2.82 H ATOM 483 N CYS A 34 23.682 -33.030 31.338 1.00 21.26 N ATOM 484 H CYS A 34 23.199 -32.502 32.045 1.00 21.26 H ATOM 485 CA CYS A 34 23.716 -32.535 29.972 1.00 21.26 C ATOM 486 HA CYS A 34 23.762 -33.385 29.294 1.00 21.26 H ATOM 487 C CYS A 34 24.941 -31.662 29.735 1.00 21.26 C ATOM 488 O CYS A 34 25.295 -30.828 30.568 1.00 21.26 O ATOM 489 CB CYS A 34 22.438 -31.778 29.662 1.00 21.26 C ATOM 490 1HB CYS A 34 21.600 -32.328 30.084 1.00 21.26 H ATOM 491 2HB CYS A 34 22.475 -30.781 30.102 1.00 21.26 H ATOM 492 SG CYS A 34 22.195 -31.666 27.869 1.00 21.26 S ATOM 493 N LYS A 35 25.584 -31.850 28.592 1.00 -1.03 N ATOM 494 H LYS A 35 25.224 -32.541 27.929 1.00 -1.03 H ATOM 495 CA LYS A 35 26.783 -31.108 28.215 1.00 -1.03 C ATOM 496 HA LYS A 35 27.044 -30.399 29.000 1.00 -1.03 H ATOM 497 C LYS A 35 26.485 -30.353 26.928 1.00 -1.03 C ATOM 498 O LYS A 35 26.600 -30.912 25.842 1.00 -1.03 O ATOM 499 CB LYS A 35 27.944 -32.082 28.006 1.00 -1.03 C ATOM 500 1HB LYS A 35 28.020 -32.731 28.880 1.00 -1.03 H ATOM 501 2HB LYS A 35 27.707 -32.708 27.150 1.00 -1.03 H ATOM 502 CG LYS A 35 29.299 -31.407 27.784 1.00 -1.03 C ATOM 503 1HG LYS A 35 29.188 -30.566 27.099 1.00 -1.03 H ATOM 504 2HG LYS A 35 29.664 -31.035 28.741 1.00 -1.03 H ATOM 505 CD LYS A 35 30.312 -32.380 27.194 1.00 -1.03 C ATOM 506 1HD LYS A 35 31.319 -32.020 27.407 1.00 -1.03 H ATOM 507 2HD LYS A 35 30.177 -33.358 27.660 1.00 -1.03 H ATOM 508 CE LYS A 35 30.139 -32.495 25.675 1.00 -1.03 C ATOM 509 1HE LYS A 35 29.087 -32.686 25.448 1.00 -1.03 H ATOM 510 2HE LYS A 35 30.420 -31.547 25.212 1.00 -1.03 H ATOM 511 NZ LYS A 35 30.970 -33.611 25.106 1.00 -1.03 N ATOM 512 1HZ LYS A 35 30.885 -33.625 24.099 1.00 -1.03 H ATOM 513 2HZ LYS A 35 30.633 -34.499 25.470 1.00 -1.03 H ATOM 514 3HZ LYS A 35 31.939 -33.490 25.361 1.00 -1.03 H ATOM 515 N ILE A 36 26.092 -29.094 27.077 1.00 17.17 N ATOM 516 H ILE A 36 25.990 -28.730 28.011 1.00 17.17 H ATOM 517 CA ILE A 36 25.808 -28.196 25.947 1.00 17.17 C ATOM 518 HA ILE A 36 25.391 -27.278 26.359 1.00 17.17 H ATOM 519 C ILE A 36 24.727 -28.837 25.061 1.00 17.17 C ATOM 520 O ILE A 36 24.936 -29.144 23.891 1.00 17.17 O ATOM 521 CB ILE A 36 27.099 -27.791 25.136 1.00 17.17 C ATOM 522 HB ILE A 36 27.403 -28.632 24.513 1.00 17.17 H ATOM 523 CG1 ILE A 36 28.272 -27.452 26.087 1.00 17.17 C ATOM 524 1HG1 ILE A 36 28.011 -26.560 26.658 1.00 17.17 H ATOM 525 2HG1 ILE A 36 28.418 -28.269 26.789 1.00 17.17 H ATOM 526 CG2 ILE A 36 26.800 -26.565 24.223 1.00 17.17 C ATOM 527 1HG2 ILE A 36 27.653 -26.354 23.580 1.00 17.17 H ATOM 528 2HG2 ILE A 36 26.576 -25.683 24.825 1.00 17.17 H ATOM 529 3HG2 ILE A 36 25.948 -26.782 23.576 1.00 17.17 H ATOM 530 CD1 ILE A 36 29.631 -27.216 25.407 1.00 17.17 C ATOM 531 1HD1 ILE A 36 30.401 -27.104 26.170 1.00 17.17 H ATOM 532 2HD1 ILE A 36 29.603 -26.305 24.808 1.00 17.17 H ATOM 533 3HD1 ILE A 36 29.880 -28.064 24.768 1.00 17.17 H ATOM 534 N THR A 37 23.585 -29.101 25.686 1.00 48.86 N ATOM 535 H THR A 37 23.497 -28.838 26.653 1.00 48.86 H ATOM 536 CA THR A 37 22.405 -29.726 25.064 1.00 48.86 C ATOM 537 HA THR A 37 21.646 -29.747 25.842 1.00 48.86 H ATOM 538 C THR A 37 22.563 -31.195 24.619 1.00 48.86 C ATOM 539 O THR A 37 21.567 -31.891 24.402 1.00 48.86 O ATOM 540 CB THR A 37 21.832 -28.815 23.945 1.00 48.86 C ATOM 541 HB THR A 37 22.379 -28.983 23.017 1.00 48.86 H ATOM 542 OG1 THR A 37 21.990 -27.451 24.350 1.00 48.86 O ATOM 543 HG1 THR A 37 22.105 -26.922 23.555 1.00 48.86 H ATOM 544 CG2 THR A 37 20.337 -29.007 23.716 1.00 48.86 C ATOM 545 1HG2 THR A 37 19.998 -28.313 22.948 1.00 48.86 H ATOM 546 2HG2 THR A 37 19.790 -28.814 24.639 1.00 48.86 H ATOM 547 3HG2 THR A 37 20.139 -30.025 23.380 1.00 48.86 H ATOM 548 N VAL A 38 23.778 -31.725 24.584 1.00-22.49 N ATOM 549 H VAL A 38 24.591 -31.135 24.729 1.00-22.49 H ATOM 550 CA VAL A 38 23.985 -33.153 24.345 1.00-22.49 C ATOM 551 HA VAL A 38 23.177 -33.520 23.714 1.00-22.49 H ATOM 552 C VAL A 38 23.943 -33.887 25.686 1.00-22.49 C ATOM 553 O VAL A 38 24.787 -33.678 26.563 1.00-22.49 O ATOM 554 CB VAL A 38 25.331 -33.431 23.621 1.00-22.49 C ATOM 555 HB VAL A 38 26.154 -33.154 24.278 1.00-22.49 H ATOM 556 CG1 VAL A 38 25.462 -34.923 23.260 1.00-22.49 C ATOM 557 1HG1 VAL A 38 26.414 -35.101 22.761 1.00-22.49 H ATOM 558 2HG1 VAL A 38 24.651 -35.222 22.593 1.00-22.49 H ATOM 559 3HG1 VAL A 38 25.424 -35.538 24.161 1.00-22.49 H ATOM 560 CG2 VAL A 38 25.441 -32.588 22.339 1.00-22.49 C ATOM 561 1HG2 VAL A 38 26.353 -32.846 21.800 1.00-22.49 H ATOM 562 2HG2 VAL A 38 25.484 -31.527 22.590 1.00-22.49 H ATOM 563 3HG2 VAL A 38 24.581 -32.768 21.692 1.00-22.49 H ATOM 564 N CYS A 39 22.953 -34.742 25.874 1.00 -9.39 N ATOM 565 H CYS A 39 22.266 -34.865 25.149 1.00 -9.39 H ATOM 566 CA CYS A 39 22.839 -35.525 27.103 1.00 -9.39 C ATOM 567 HA CYS A 39 22.908 -34.857 27.959 1.00 -9.39 H ATOM 568 C CYS A 39 23.968 -36.559 27.190 1.00 -9.39 C ATOM 569 O CYS A 39 24.247 -37.248 26.212 1.00 -9.39 O ATOM 570 CB CYS A 39 21.474 -36.221 27.125 1.00 -9.39 C ATOM 571 1HB CYS A 39 20.700 -35.464 26.999 1.00 -9.39 H ATOM 572 2HB CYS A 39 21.428 -36.907 26.279 1.00 -9.39 H ATOM 573 SG CYS A 39 21.106 -37.169 28.637 1.00 -9.39 S ATOM 574 N HIS A 40 24.617 -36.658 28.344 1.00 -5.56 N ATOM 575 H HIS A 40 24.361 -36.063 29.129 1.00 -5.56 H ATOM 576 CA HIS A 40 25.661 -37.651 28.604 1.00 -5.56 C ATOM 577 HA HIS A 40 25.737 -38.370 27.788 1.00 -5.56 H ATOM 578 C HIS A 40 25.168 -38.349 29.866 1.00 -5.56 C ATOM 579 O HIS A 40 24.468 -37.725 30.658 1.00 -5.56 O ATOM 580 CB HIS A 40 27.022 -36.985 28.861 1.00 -5.56 C ATOM 581 1HB HIS A 40 26.892 -36.199 29.605 1.00 -5.56 H ATOM 582 2HB HIS A 40 27.702 -37.732 29.269 1.00 -5.56 H ATOM 583 CG HIS A 40 27.661 -36.401 27.637 1.00 -5.56 C ATOM 584 ND1 HIS A 40 27.081 -35.464 26.819 1.00 -5.56 N ATOM 585 HD1 HIS A 40 26.160 -35.044 26.939 1.00 -5.56 H ATOM 586 CD2 HIS A 40 28.875 -36.648 27.074 1.00 -5.56 C ATOM 587 HD2 HIS A 40 29.602 -37.348 27.460 1.00 -5.56 H ATOM 588 CE1 HIS A 40 27.912 -35.213 25.814 1.00 -5.56 C ATOM 589 HE1 HIS A 40 27.687 -34.539 24.998 1.00 -5.56 H ATOM 590 NE2 HIS A 40 29.045 -35.873 25.945 1.00 -5.56 N ATOM 591 N CYS A 41 25.477 -39.624 30.064 1.00 1.09 N ATOM 592 H CYS A 41 26.105 -40.105 29.438 1.00 1.09 H ATOM 593 CA CYS A 41 24.889 -40.375 31.176 1.00 1.09 C ATOM 594 HA CYS A 41 24.354 -39.686 31.806 1.00 1.09 H ATOM 595 C CYS A 41 25.901 -41.062 32.082 1.00 1.09 C ATOM 596 O CYS A 41 26.992 -41.433 31.657 1.00 1.09 O ATOM 597 CB CYS A 41 23.853 -41.353 30.637 1.00 1.09 C ATOM 598 1HB CYS A 41 24.325 -42.059 29.954 1.00 1.09 H ATOM 599 2HB CYS A 41 23.417 -41.897 31.475 1.00 1.09 H ATOM 600 SG CYS A 41 22.529 -40.445 29.779 1.00 1.09 S ATOM 601 N ARG A 42 25.540 -41.172 33.354 1.00 -3.17 N ATOM 602 H ARG A 42 24.577 -40.948 33.623 1.00 -3.17 H ATOM 603 CA ARG A 42 26.458 -41.572 34.421 1.00 -3.17 C ATOM 604 HA ARG A 42 27.426 -41.838 33.996 1.00 -3.17 H ATOM 605 C ARG A 42 25.873 -42.791 35.119 1.00 -3.17 C ATOM 606 O ARG A 42 24.844 -42.689 35.787 1.00 -3.17 O ATOM 607 CB ARG A 42 26.635 -40.404 35.401 1.00 -3.17 C ATOM 608 1HB ARG A 42 25.655 -40.122 35.789 1.00 -3.17 H ATOM 609 2HB ARG A 42 27.253 -40.742 36.232 1.00 -3.17 H ATOM 610 CG ARG A 42 27.285 -39.166 34.762 1.00 -3.17 C ATOM 611 1HG ARG A 42 28.286 -39.432 34.422 1.00 -3.17 H ATOM 612 2HG ARG A 42 26.698 -38.855 33.897 1.00 -3.17 H ATOM 613 CD ARG A 42 27.384 -37.976 35.716 1.00 -3.17 C ATOM 614 1HD ARG A 42 27.773 -37.120 35.162 1.00 -3.17 H ATOM 615 2HD ARG A 42 26.386 -37.729 36.081 1.00 -3.17 H ATOM 616 NE ARG A 42 28.263 -38.249 36.863 1.00 -3.17 N ATOM 617 HE ARG A 42 28.639 -39.180 36.926 1.00 -3.17 H ATOM 618 CZ ARG A 42 28.588 -37.392 37.823 1.00 -3.17 C ATOM 619 NH1 ARG A 42 29.270 -37.832 38.844 1.00 -3.17 N ATOM 620 1HH1 ARG A 42 29.530 -38.803 38.900 1.00 -3.17 H ATOM 621 2HH1 ARG A 42 29.543 -37.198 39.576 1.00 -3.17 H ATOM 622 NH2 ARG A 42 28.279 -36.121 37.809 1.00 -3.17 N ATOM 623 1HH2 ARG A 42 27.838 -35.712 36.983 1.00 -3.17 H ATOM 624 2HH2 ARG A 42 28.495 -35.529 38.591 1.00 -3.17 H ATOM 625 N ARG A 43 26.485 -43.944 34.883 1.00-14.70 N ATOM 626 H ARG A 43 27.333 -43.951 34.344 1.00-14.70 H ATOM 627 CA ARG A 43 25.969 -45.214 35.399 1.00-14.70 C ATOM 628 HA ARG A 43 24.939 -45.334 35.078 1.00-14.70 H ATOM 629 C ARG A 43 25.932 -45.232 36.905 1.00-14.70 C ATOM 630 O ARG A 43 26.864 -44.771 37.593 1.00-14.70 O ATOM 631 OXT ARG A 43 24.920 -45.763 37.385 1.00-14.70 O ATOM 632 CB ARG A 43 26.798 -46.414 34.923 1.00-14.70 C ATOM 633 1HB ARG A 43 27.852 -46.136 34.939 1.00-14.70 H ATOM 634 2HB ARG A 43 26.657 -47.223 35.641 1.00-14.70 H ATOM 635 CG ARG A 43 26.436 -46.959 33.545 1.00-14.70 C ATOM 636 1HG ARG A 43 26.445 -46.146 32.820 1.00-14.70 H ATOM 637 2HG ARG A 43 27.184 -47.696 33.255 1.00-14.70 H ATOM 638 CD ARG A 43 25.058 -47.636 33.546 1.00-14.70 C ATOM 639 1HD ARG A 43 25.045 -48.416 34.309 1.00-14.70 H ATOM 640 2HD ARG A 43 24.297 -46.896 33.791 1.00-14.70 H ATOM 641 NE ARG A 43 24.738 -48.233 32.242 1.00-14.70 N ATOM 642 HE ARG A 43 25.480 -48.245 31.565 1.00-14.70 H ATOM 643 CZ ARG A 43 23.563 -48.731 31.880 1.00-14.70 C ATOM 644 NH1 ARG A 43 23.427 -49.213 30.676 1.00-14.70 N ATOM 645 1HH1 ARG A 43 24.206 -49.222 30.041 1.00-14.70 H ATOM 646 2HH1 ARG A 43 22.535 -49.590 30.398 1.00-14.70 H ATOM 647 NH2 ARG A 43 22.513 -48.763 32.650 1.00-14.70 N ATOM 648 1HH2 ARG A 43 22.577 -48.475 33.624 1.00-14.70 H ATOM 649 2HH2 ARG A 43 21.606 -49.035 32.288 1.00-14.70 H TER 650 ARG A 43 CONECT 36 33 492 CONECT 288 285 573 CONECT 344 341 600 CONECT 492 36 489 CONECT 573 288 570 CONECT 600 344 597 END
SEQUENCE	ATCDILSFQSQWVTPNHAGCALHCVIKGYKGGQCKITVCHCRR
HELICITY	55.80	INSTAB. INDEX	39.87	FLEXIBILITY	13.21
a HYD. MOM.	37.90	b HYD. MOM.	4.87	c HYD. MOM	2.10
a MEAN HYD. MOM.	0.88	b MEAN HYD. MOM.	0.11	c MEAN HYD. MOM.	0.05
CHARGE pH5	6.79	CHARGE pH7	4.00	CHARGE pH9	-1.29
Δ CHARGE pH5-pH9	8.09	ISOELECTRIC POINT	8.92	BOMAN INDEX	1.12
ΔG	22	CPP	-0,35	MLP	-9,25
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	Rhynchota
FAMILY	Pyrrhocoridae	GENUS	Pyrrhocoris	SPECIES	Pyrrhocoris apterus
DATE	1994
TITLE PAPER	Novel inducible antibacterial peptides from a hemipteran insect, the sap-sucking bug Pyrrhocoris apterus