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ID	2283	NAME	hBD3?8   Blast NCBI-PROT
LENGTH	38	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\KYYCRVRGGRCAVLSCLPKEEQIGKCSTRGRKCCRRKK.pdb REMARK YASARA Written on: Wed May 14 17:16:35 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 629 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-DEFENSIN 3; COMPND 3 CHAIN: A; SEQRES 1 A 38 LYS TYR TYR CYS ARG VAL ARG GLY GLY ARG CYS ALA VAL SEQRES 2 A 38 LEU SER CYS LEU PRO LYS GLU GLU GLN ILE GLY LYS CYS SEQRES 3 A 38 SER THR ARG GLY ARG LYS CYS CYS ARG ARG LYS LYS 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 4 CYS A 33 2.03 SSBOND 3 CYS A 11 CYS A 26 2.03 SSBOND 5 CYS A 16 CYS A 34 2.03 ATOM 1 N LYS A 1 24.058 -9.126 -44.028 1.00 -0.94 N ATOM 2 1H LYS A 1 24.152 -9.400 -44.995 1.00 -0.94 H ATOM 3 2H LYS A 1 24.703 -9.661 -43.461 1.00 -0.94 H ATOM 4 3H LYS A 1 24.278 -8.143 -43.932 1.00 -0.94 H ATOM 5 CA LYS A 1 22.658 -9.364 -43.558 1.00 -0.94 C ATOM 6 HA LYS A 1 21.987 -8.780 -44.189 1.00 -0.94 H ATOM 7 C LYS A 1 22.520 -8.812 -42.145 1.00 -0.94 C ATOM 8 O LYS A 1 23.106 -7.768 -41.916 1.00 -0.94 O ATOM 9 CB LYS A 1 22.274 -10.848 -43.698 1.00 -0.94 C ATOM 10 1HB LYS A 1 22.988 -11.460 -43.145 1.00 -0.94 H ATOM 11 2HB LYS A 1 21.281 -10.998 -43.273 1.00 -0.94 H ATOM 12 CG LYS A 1 22.229 -11.319 -45.165 1.00 -0.94 C ATOM 13 1HG LYS A 1 21.544 -10.673 -45.715 1.00 -0.94 H ATOM 14 2HG LYS A 1 23.222 -11.237 -45.606 1.00 -0.94 H ATOM 15 CD LYS A 1 21.747 -12.764 -45.294 1.00 -0.94 C ATOM 16 1HD LYS A 1 22.436 -13.406 -44.753 1.00 -0.94 H ATOM 17 2HD LYS A 1 20.756 -12.845 -44.845 1.00 -0.94 H ATOM 18 CE LYS A 1 21.669 -13.245 -46.747 1.00 -0.94 C ATOM 19 1HE LYS A 1 20.996 -12.589 -47.304 1.00 -0.94 H ATOM 20 2HE LYS A 1 22.663 -13.184 -47.198 1.00 -0.94 H ATOM 21 NZ LYS A 1 21.167 -14.669 -46.842 1.00 -0.94 N ATOM 22 1HZ LYS A 1 21.118 -14.956 -47.812 1.00 -0.94 H ATOM 23 2HZ LYS A 1 20.245 -14.741 -46.432 1.00 -0.94 H ATOM 24 3HZ LYS A 1 21.793 -15.293 -46.350 1.00 -0.94 H ATOM 25 N TYR A 2 21.791 -9.430 -41.221 1.00 8.19 N ATOM 26 H TYR A 2 21.303 -10.287 -41.428 1.00 8.19 H ATOM 27 CA TYR A 2 21.627 -8.869 -39.872 1.00 8.19 C ATOM 28 HA TYR A 2 22.141 -7.910 -39.811 1.00 8.19 H ATOM 29 C TYR A 2 22.175 -9.752 -38.748 1.00 8.19 C ATOM 30 O TYR A 2 22.042 -9.425 -37.572 1.00 8.19 O ATOM 31 CB TYR A 2 20.136 -8.612 -39.621 1.00 8.19 C ATOM 32 1HB TYR A 2 20.019 -8.147 -38.642 1.00 8.19 H ATOM 33 2HB TYR A 2 19.773 -7.911 -40.373 1.00 8.19 H ATOM 34 CG TYR A 2 19.272 -9.859 -39.666 1.00 8.19 C ATOM 35 CD1 TYR A 2 19.108 -10.664 -38.518 1.00 8.19 C ATOM 36 HD1 TYR A 2 19.604 -10.397 -37.594 1.00 8.19 H ATOM 37 CD2 TYR A 2 18.584 -10.223 -40.844 1.00 8.19 C ATOM 38 HD2 TYR A 2 18.665 -9.607 -41.728 1.00 8.19 H ATOM 39 CE1 TYR A 2 18.282 -11.816 -38.548 1.00 8.19 C ATOM 40 HE1 TYR A 2 18.155 -12.423 -37.664 1.00 8.19 H ATOM 41 CE2 TYR A 2 17.752 -11.377 -40.875 1.00 8.19 C ATOM 42 HE2 TYR A 2 17.219 -11.642 -41.775 1.00 8.19 H ATOM 43 CZ TYR A 2 17.610 -12.158 -39.721 1.00 8.19 C ATOM 44 OH TYR A 2 16.818 -13.276 -39.725 1.00 8.19 O ATOM 45 HH TYR A 2 16.301 -13.369 -40.526 1.00 8.19 H ATOM 46 N TYR A 3 22.773 -10.890 -39.076 1.00 11.21 N ATOM 47 H TYR A 3 23.127 -11.032 -40.012 1.00 11.21 H ATOM 48 CA TYR A 3 22.882 -11.979 -38.098 1.00 11.21 C ATOM 49 HA TYR A 3 21.911 -12.081 -37.613 1.00 11.21 H ATOM 50 C TYR A 3 23.922 -11.776 -37.003 1.00 11.21 C ATOM 51 O TYR A 3 24.042 -12.612 -36.123 1.00 11.21 O ATOM 52 CB TYR A 3 23.216 -13.314 -38.763 1.00 11.21 C ATOM 53 1HB TYR A 3 24.254 -13.292 -39.069 1.00 11.21 H ATOM 54 2HB TYR A 3 23.113 -14.103 -38.019 1.00 11.21 H ATOM 55 CG TYR A 3 22.374 -13.686 -39.959 1.00 11.21 C ATOM 56 CD1 TYR A 3 22.991 -14.062 -41.168 1.00 11.21 C ATOM 57 HD1 TYR A 3 24.069 -14.044 -41.252 1.00 11.21 H ATOM 58 CD2 TYR A 3 20.967 -13.736 -39.877 1.00 11.21 C ATOM 59 HD2 TYR A 3 20.467 -13.467 -38.956 1.00 11.21 H ATOM 60 CE1 TYR A 3 22.219 -14.511 -42.266 1.00 11.21 C ATOM 61 HE1 TYR A 3 22.707 -14.847 -43.167 1.00 11.21 H ATOM 62 CE2 TYR A 3 20.190 -14.162 -40.988 1.00 11.21 C ATOM 63 HE2 TYR A 3 19.114 -14.205 -40.909 1.00 11.21 H ATOM 64 CZ TYR A 3 20.825 -14.546 -42.170 1.00 11.21 C ATOM 65 OH TYR A 3 20.082 -14.966 -43.247 1.00 11.21 O ATOM 66 HH TYR A 3 19.154 -15.078 -43.020 1.00 11.21 H ATOM 67 N CYS A 4 24.656 -10.674 -37.039 1.00 18.04 N ATOM 68 H CYS A 4 24.455 -9.985 -37.744 1.00 18.04 H ATOM 69 CA CYS A 4 25.736 -10.418 -36.085 1.00 18.04 C ATOM 70 HA CYS A 4 26.496 -11.190 -36.188 1.00 18.04 H ATOM 71 C CYS A 4 25.264 -10.410 -34.633 1.00 18.04 C ATOM 72 O CYS A 4 25.962 -10.835 -33.723 1.00 18.04 O ATOM 73 CB CYS A 4 26.352 -9.057 -36.397 1.00 18.04 C ATOM 74 1HB CYS A 4 26.518 -8.978 -37.469 1.00 18.04 H ATOM 75 2HB CYS A 4 25.656 -8.274 -36.094 1.00 18.04 H ATOM 76 SG CYS A 4 27.937 -8.786 -35.548 1.00 18.04 S ATOM 77 N ARG A 5 24.041 -9.947 -34.422 1.00 -7.44 N ATOM 78 H ARG A 5 23.487 -9.623 -35.204 1.00 -7.44 H ATOM 79 CA ARG A 5 23.477 -9.881 -33.074 1.00 -7.44 C ATOM 80 HA ARG A 5 24.294 -9.869 -32.350 1.00 -7.44 H ATOM 81 C ARG A 5 22.654 -11.119 -32.741 1.00 -7.44 C ATOM 82 O ARG A 5 22.105 -11.228 -31.657 1.00 -7.44 O ATOM 83 CB ARG A 5 22.710 -8.569 -32.905 1.00 -7.44 C ATOM 84 1HB ARG A 5 21.969 -8.465 -33.697 1.00 -7.44 H ATOM 85 2HB ARG A 5 22.203 -8.580 -31.940 1.00 -7.44 H ATOM 86 CG ARG A 5 23.682 -7.387 -32.929 1.00 -7.44 C ATOM 87 1HG ARG A 5 24.393 -7.531 -32.115 1.00 -7.44 H ATOM 88 2HG ARG A 5 24.237 -7.380 -33.867 1.00 -7.44 H ATOM 89 CD ARG A 5 23.029 -6.030 -32.741 1.00 -7.44 C ATOM 90 1HD ARG A 5 22.367 -5.828 -33.584 1.00 -7.44 H ATOM 91 2HD ARG A 5 22.440 -6.039 -31.824 1.00 -7.44 H ATOM 92 NE ARG A 5 24.068 -4.985 -32.662 1.00 -7.44 N ATOM 93 HE ARG A 5 24.358 -4.570 -33.536 1.00 -7.44 H ATOM 94 CZ ARG A 5 24.674 -4.555 -31.561 1.00 -7.44 C ATOM 95 NH1 ARG A 5 25.645 -3.694 -31.662 1.00 -7.44 N ATOM 96 1HH1 ARG A 5 25.976 -3.405 -32.581 1.00 -7.44 H ATOM 97 2HH1 ARG A 5 26.085 -3.326 -30.839 1.00 -7.44 H ATOM 98 NH2 ARG A 5 24.354 -4.955 -30.358 1.00 -7.44 N ATOM 99 1HH2 ARG A 5 23.604 -5.614 -30.239 1.00 -7.44 H ATOM 100 2HH2 ARG A 5 24.855 -4.614 -29.558 1.00 -7.44 H ATOM 101 N VAL A 6 22.632 -12.072 -33.660 1.00 7.21 N ATOM 102 H VAL A 6 23.094 -11.916 -34.544 1.00 7.21 H ATOM 103 CA VAL A 6 22.059 -13.395 -33.410 1.00 7.21 C ATOM 104 HA VAL A 6 21.327 -13.324 -32.604 1.00 7.21 H ATOM 105 C VAL A 6 23.219 -14.287 -32.955 1.00 7.21 C ATOM 106 O VAL A 6 23.085 -15.054 -31.998 1.00 7.21 O ATOM 107 CB VAL A 6 21.356 -13.966 -34.682 1.00 7.21 C ATOM 108 HB VAL A 6 22.094 -14.084 -35.471 1.00 7.21 H ATOM 109 CG1 VAL A 6 20.725 -15.337 -34.412 1.00 7.21 C ATOM 110 1HG1 VAL A 6 20.207 -15.686 -35.307 1.00 7.21 H ATOM 111 2HG1 VAL A 6 20.008 -15.266 -33.592 1.00 7.21 H ATOM 112 3HG1 VAL A 6 21.497 -16.058 -34.158 1.00 7.21 H ATOM 113 CG2 VAL A 6 20.274 -12.993 -35.184 1.00 7.21 C ATOM 114 1HG2 VAL A 6 19.767 -13.418 -36.050 1.00 7.21 H ATOM 115 2HG2 VAL A 6 20.721 -12.045 -35.478 1.00 7.21 H ATOM 116 3HG2 VAL A 6 19.538 -12.810 -34.397 1.00 7.21 H ATOM 117 N ARG A 7 24.365 -14.172 -33.624 1.00 24.55 N ATOM 118 H ARG A 7 24.379 -13.643 -34.498 1.00 24.55 H ATOM 119 CA ARG A 7 25.669 -14.671 -33.149 1.00 24.55 C ATOM 120 HA ARG A 7 25.783 -14.393 -32.100 1.00 24.55 H ATOM 121 C ARG A 7 26.731 -13.935 -33.956 1.00 24.55 C ATOM 122 O ARG A 7 26.537 -13.718 -35.145 1.00 24.55 O ATOM 123 CB ARG A 7 25.873 -16.193 -33.279 1.00 24.55 C ATOM 124 1HB ARG A 7 26.943 -16.387 -33.349 1.00 24.55 H ATOM 125 2HB ARG A 7 25.546 -16.638 -32.341 1.00 24.55 H ATOM 126 CG ARG A 7 25.178 -16.925 -34.448 1.00 24.55 C ATOM 127 1HG ARG A 7 24.494 -16.259 -34.968 1.00 24.55 H ATOM 128 2HG ARG A 7 25.935 -17.258 -35.157 1.00 24.55 H ATOM 129 CD ARG A 7 24.385 -18.139 -33.948 1.00 24.55 C ATOM 130 1HD ARG A 7 23.898 -18.621 -34.797 1.00 24.55 H ATOM 131 2HD ARG A 7 25.071 -18.846 -33.478 1.00 24.55 H ATOM 132 NE ARG A 7 23.374 -17.719 -32.967 1.00 24.55 N ATOM 133 HE ARG A 7 23.398 -16.740 -32.689 1.00 24.55 H ATOM 134 CZ ARG A 7 22.456 -18.463 -32.373 1.00 24.55 C ATOM 135 NH1 ARG A 7 21.685 -17.879 -31.501 1.00 24.55 N ATOM 136 1HH1 ARG A 7 21.829 -16.895 -31.293 1.00 24.55 H ATOM 137 2HH1 ARG A 7 20.961 -18.390 -31.029 1.00 24.55 H ATOM 138 NH2 ARG A 7 22.278 -19.738 -32.613 1.00 24.55 N ATOM 139 1HH2 ARG A 7 22.870 -20.203 -33.278 1.00 24.55 H ATOM 140 2HH2 ARG A 7 21.558 -20.247 -32.131 1.00 24.55 H ATOM 141 N GLY A 8 27.810 -13.543 -33.297 1.00 27.15 N ATOM 142 H GLY A 8 27.938 -13.821 -32.340 1.00 27.15 H ATOM 143 CA GLY A 8 28.775 -12.625 -33.882 1.00 27.15 C ATOM 144 1HA GLY A 8 28.220 -11.838 -34.393 1.00 27.15 H ATOM 145 2HA GLY A 8 29.309 -12.149 -33.061 1.00 27.15 H ATOM 146 C GLY A 8 29.817 -13.136 -34.858 1.00 27.15 C ATOM 147 O GLY A 8 29.765 -14.252 -35.378 1.00 27.15 O ATOM 148 N GLY A 9 30.795 -12.272 -35.085 1.00 7.91 N ATOM 149 H GLY A 9 30.811 -11.379 -34.601 1.00 7.91 H ATOM 150 CA GLY A 9 31.908 -12.518 -35.982 1.00 7.91 C ATOM 151 1HA GLY A 9 32.375 -13.480 -35.769 1.00 7.91 H ATOM 152 2HA GLY A 9 31.586 -12.460 -37.022 1.00 7.91 H ATOM 153 C GLY A 9 32.854 -11.377 -35.644 1.00 7.91 C ATOM 154 O GLY A 9 32.542 -10.638 -34.707 1.00 7.91 O ATOM 155 N ARG A 10 33.964 -11.189 -36.347 1.00-15.97 N ATOM 156 H ARG A 10 34.162 -11.798 -37.141 1.00-15.97 H ATOM 157 CA ARG A 10 34.872 -10.085 -36.047 1.00-15.97 C ATOM 158 HA ARG A 10 35.170 -10.123 -34.999 1.00-15.97 H ATOM 159 C ARG A 10 34.152 -8.788 -36.352 1.00-15.97 C ATOM 160 O ARG A 10 33.604 -8.681 -37.442 1.00-15.97 O ATOM 161 CB ARG A 10 36.094 -10.066 -36.964 1.00-15.97 C ATOM 162 1HB ARG A 10 35.766 -9.874 -37.986 1.00-15.97 H ATOM 163 2HB ARG A 10 36.709 -9.225 -36.650 1.00-15.97 H ATOM 164 CG ARG A 10 36.977 -11.285 -36.982 1.00-15.97 C ATOM 165 1HG ARG A 10 37.366 -11.486 -35.984 1.00-15.97 H ATOM 166 2HG ARG A 10 36.409 -12.143 -37.341 1.00-15.97 H ATOM 167 CD ARG A 10 38.120 -11.009 -37.949 1.00-15.97 C ATOM 168 1HD ARG A 10 37.692 -10.581 -38.857 1.00-15.97 H ATOM 169 2HD ARG A 10 38.820 -10.291 -37.523 1.00-15.97 H ATOM 170 NE ARG A 10 38.801 -12.241 -38.334 1.00-15.97 N ATOM 171 HE ARG A 10 38.404 -12.737 -39.140 1.00-15.97 H ATOM 172 CZ ARG A 10 39.861 -12.792 -37.766 1.00-15.97 C ATOM 173 NH1 ARG A 10 40.240 -13.950 -38.223 1.00-15.97 N ATOM 174 1HH1 ARG A 10 39.681 -14.370 -38.969 1.00-15.97 H ATOM 175 2HH1 ARG A 10 41.042 -14.419 -37.848 1.00-15.97 H ATOM 176 NH2 ARG A 10 40.542 -12.257 -36.775 1.00-15.97 N ATOM 177 1HH2 ARG A 10 40.265 -11.364 -36.411 1.00-15.97 H ATOM 178 2HH2 ARG A 10 41.336 -12.737 -36.393 1.00-15.97 H ATOM 179 N CYS A 11 34.265 -7.781 -35.500 1.00-13.07 N ATOM 180 H CYS A 11 34.649 -7.941 -34.584 1.00-13.07 H ATOM 181 CA CYS A 11 33.882 -6.417 -35.879 1.00-13.07 C ATOM 182 HA CYS A 11 33.017 -6.466 -36.537 1.00-13.07 H ATOM 183 C CYS A 11 35.037 -5.778 -36.653 1.00-13.07 C ATOM 184 O CYS A 11 35.785 -4.951 -36.124 1.00-13.07 O ATOM 185 CB CYS A 11 33.505 -5.587 -34.651 1.00-13.07 C ATOM 186 1HB CYS A 11 34.369 -5.519 -33.991 1.00-13.07 H ATOM 187 2HB CYS A 11 33.234 -4.582 -34.973 1.00-13.07 H ATOM 188 SG CYS A 11 32.115 -6.299 -33.719 1.00-13.07 S ATOM 189 N ALA A 12 35.236 -6.233 -37.878 1.00 15.85 N ATOM 190 H ALA A 12 34.555 -6.884 -38.263 1.00 15.85 H ATOM 191 CA ALA A 12 36.331 -5.783 -38.724 1.00 15.85 C ATOM 192 HA ALA A 12 37.241 -5.691 -38.131 1.00 15.85 H ATOM 193 C ALA A 12 35.951 -4.411 -39.290 1.00 15.85 C ATOM 194 O ALA A 12 34.787 -4.044 -39.276 1.00 15.85 O ATOM 195 CB ALA A 12 36.553 -6.799 -39.831 1.00 15.85 C ATOM 196 1HB ALA A 12 36.781 -7.775 -39.405 1.00 15.85 H ATOM 197 2HB ALA A 12 37.378 -6.490 -40.473 1.00 15.85 H ATOM 198 3HB ALA A 12 35.648 -6.882 -40.437 1.00 15.85 H ATOM 199 N VAL A 13 36.916 -3.632 -39.759 1.00 -1.35 N ATOM 200 H VAL A 13 37.864 -3.968 -39.805 1.00 -1.35 H ATOM 201 CA VAL A 13 36.619 -2.252 -40.156 1.00 -1.35 C ATOM 202 HA VAL A 13 36.095 -1.782 -39.326 1.00 -1.35 H ATOM 203 C VAL A 13 35.687 -2.179 -41.368 1.00 -1.35 C ATOM 204 O VAL A 13 34.615 -1.585 -41.278 1.00 -1.35 O ATOM 205 CB VAL A 13 37.921 -1.437 -40.425 1.00 -1.35 C ATOM 206 HB VAL A 13 38.441 -1.878 -41.275 1.00 -1.35 H ATOM 207 CG1 VAL A 13 37.609 0.032 -40.744 1.00 -1.35 C ATOM 208 1HG1 VAL A 13 38.537 0.583 -40.904 1.00 -1.35 H ATOM 209 2HG1 VAL A 13 37.055 0.491 -39.924 1.00 -1.35 H ATOM 210 3HG1 VAL A 13 37.013 0.103 -41.655 1.00 -1.35 H ATOM 211 CG2 VAL A 13 38.862 -1.502 -39.205 1.00 -1.35 C ATOM 212 1HG2 VAL A 13 39.744 -0.887 -39.394 1.00 -1.35 H ATOM 213 2HG2 VAL A 13 39.196 -2.523 -39.031 1.00 -1.35 H ATOM 214 3HG2 VAL A 13 38.352 -1.126 -38.319 1.00 -1.35 H ATOM 215 N LEU A 14 36.089 -2.765 -42.491 1.00 16.11 N ATOM 216 H LEU A 14 36.983 -3.228 -42.520 1.00 16.11 H ATOM 217 CA LEU A 14 35.296 -2.685 -43.722 1.00 16.11 C ATOM 218 HA LEU A 14 34.245 -2.710 -43.441 1.00 16.11 H ATOM 219 C LEU A 14 35.556 -3.839 -44.695 1.00 16.11 C ATOM 220 O LEU A 14 35.213 -3.778 -45.876 1.00 16.11 O ATOM 221 CB LEU A 14 35.587 -1.350 -44.427 1.00 16.11 C ATOM 222 1HB LEU A 14 35.903 -0.632 -43.672 1.00 16.11 H ATOM 223 2HB LEU A 14 36.430 -1.505 -45.100 1.00 16.11 H ATOM 224 CG LEU A 14 34.442 -0.697 -45.223 1.00 16.11 C ATOM 225 HG LEU A 14 34.051 -1.421 -45.936 1.00 16.11 H ATOM 226 CD1 LEU A 14 33.291 -0.232 -44.326 1.00 16.11 C ATOM 227 1HD1 LEU A 14 32.519 0.244 -44.930 1.00 16.11 H ATOM 228 2HD1 LEU A 14 33.663 0.481 -43.589 1.00 16.11 H ATOM 229 3HD1 LEU A 14 32.854 -1.079 -43.797 1.00 16.11 H ATOM 230 CD2 LEU A 14 34.982 0.495 -46.005 1.00 16.11 C ATOM 231 1HD2 LEU A 14 34.184 0.941 -46.599 1.00 16.11 H ATOM 232 2HD2 LEU A 14 35.771 0.166 -46.682 1.00 16.11 H ATOM 233 3HD2 LEU A 14 35.385 1.248 -45.325 1.00 16.11 H ATOM 234 N SER A 15 36.157 -4.910 -44.212 1.00 11.07 N ATOM 235 H SER A 15 36.347 -5.008 -43.225 1.00 11.07 H ATOM 236 CA SER A 15 36.551 -6.036 -45.052 1.00 11.07 C ATOM 237 HA SER A 15 35.897 -6.140 -45.916 1.00 11.07 H ATOM 238 C SER A 15 36.416 -7.253 -44.160 1.00 11.07 C ATOM 239 O SER A 15 36.285 -7.079 -42.955 1.00 11.07 O ATOM 240 CB SER A 15 38.001 -5.855 -45.504 1.00 11.07 C ATOM 241 1HB SER A 15 38.328 -6.739 -46.053 1.00 11.07 H ATOM 242 2HB SER A 15 38.062 -4.983 -46.156 1.00 11.07 H ATOM 243 OG SER A 15 38.842 -5.641 -44.380 1.00 11.07 O ATOM 244 HG SER A 15 39.758 -5.682 -44.671 1.00 11.07 H ATOM 245 N CYS A 16 36.437 -8.443 -44.740 1.00 3.15 N ATOM 246 H CYS A 16 36.575 -8.525 -45.737 1.00 3.15 H ATOM 247 CA CYS A 16 36.360 -9.707 -44.014 1.00 3.15 C ATOM 248 HA CYS A 16 36.590 -9.578 -42.956 1.00 3.15 H ATOM 249 C CYS A 16 37.433 -10.536 -44.705 1.00 3.15 C ATOM 250 O CYS A 16 37.775 -10.211 -45.847 1.00 3.15 O ATOM 251 CB CYS A 16 34.988 -10.372 -44.204 1.00 3.15 C ATOM 252 1HB CYS A 16 34.815 -10.505 -45.272 1.00 3.15 H ATOM 253 2HB CYS A 16 35.031 -11.363 -43.760 1.00 3.15 H ATOM 254 SG CYS A 16 33.550 -9.500 -43.490 1.00 3.15 S ATOM 255 N LEU A 17 37.949 -11.582 -44.078 1.00 -6.74 N ATOM 256 H LEU A 17 37.664 -11.803 -43.124 1.00 -6.74 H ATOM 257 CA LEU A 17 38.857 -12.494 -44.778 1.00 -6.74 C ATOM 258 HA LEU A 17 39.544 -11.925 -45.404 1.00 -6.74 H ATOM 259 C LEU A 17 37.967 -13.370 -45.669 1.00 -6.74 C ATOM 260 O LEU A 17 36.782 -13.507 -45.387 1.00 -6.74 O ATOM 261 CB LEU A 17 39.649 -13.345 -43.774 1.00 -6.74 C ATOM 262 1HB LEU A 17 38.938 -13.910 -43.186 1.00 -6.74 H ATOM 263 2HB LEU A 17 40.251 -14.060 -44.330 1.00 -6.74 H ATOM 264 CG LEU A 17 40.584 -12.614 -42.798 1.00 -6.74 C ATOM 265 HG LEU A 17 40.004 -11.892 -42.225 1.00 -6.74 H ATOM 266 CD1 LEU A 17 41.181 -13.629 -41.824 1.00 -6.74 C ATOM 267 1HD1 LEU A 17 41.800 -13.108 -41.094 1.00 -6.74 H ATOM 268 2HD1 LEU A 17 41.790 -14.358 -42.359 1.00 -6.74 H ATOM 269 3HD1 LEU A 17 40.376 -14.141 -41.296 1.00 -6.74 H ATOM 270 CD2 LEU A 17 41.714 -11.872 -43.514 1.00 -6.74 C ATOM 271 1HD2 LEU A 17 42.368 -11.402 -42.779 1.00 -6.74 H ATOM 272 2HD2 LEU A 17 41.300 -11.089 -44.150 1.00 -6.74 H ATOM 273 3HD2 LEU A 17 42.299 -12.562 -44.124 1.00 -6.74 H ATOM 274 N PRO A 18 38.511 -14.025 -46.714 1.00-17.55 N ATOM 275 CA PRO A 18 37.591 -14.830 -47.538 1.00-17.55 C ATOM 276 HA PRO A 18 36.751 -14.216 -47.863 1.00-17.55 H ATOM 277 C PRO A 18 37.022 -16.092 -46.876 1.00-17.55 C ATOM 278 O PRO A 18 36.120 -16.726 -47.406 1.00-17.55 O ATOM 279 CB PRO A 18 38.454 -15.184 -48.751 1.00-17.55 C ATOM 280 1HB PRO A 18 38.148 -16.135 -49.187 1.00-17.55 H ATOM 281 2HB PRO A 18 38.401 -14.390 -49.497 1.00-17.55 H ATOM 282 CG PRO A 18 39.825 -15.259 -48.200 1.00-17.55 C ATOM 283 1HG PRO A 18 39.961 -16.197 -47.659 1.00-17.55 H ATOM 284 2HG PRO A 18 40.569 -15.161 -48.991 1.00-17.55 H ATOM 285 CD PRO A 18 39.884 -14.083 -47.257 1.00-17.55 C ATOM 286 1HD PRO A 18 40.619 -14.260 -46.473 1.00-17.55 H ATOM 287 2HD PRO A 18 40.111 -13.165 -47.802 1.00-17.55 H ATOM 288 N LYS A 19 37.502 -16.436 -45.687 1.00 0.56 N ATOM 289 H LYS A 19 38.269 -15.912 -45.304 1.00 0.56 H ATOM 290 CA LYS A 19 36.889 -17.489 -44.871 1.00 0.56 C ATOM 291 HA LYS A 19 36.656 -18.360 -45.486 1.00 0.56 H ATOM 292 C LYS A 19 35.595 -17.031 -44.202 1.00 0.56 C ATOM 293 O LYS A 19 34.918 -17.830 -43.549 1.00 0.56 O ATOM 294 CB LYS A 19 37.844 -17.896 -43.744 1.00 0.56 C ATOM 295 1HB LYS A 19 38.242 -16.998 -43.272 1.00 0.56 H ATOM 296 2HB LYS A 19 37.269 -18.441 -43.000 1.00 0.56 H ATOM 297 CG LYS A 19 38.988 -18.796 -44.160 1.00 0.56 C ATOM 298 1HG LYS A 19 38.567 -19.691 -44.616 1.00 0.56 H ATOM 299 2HG LYS A 19 39.630 -18.290 -44.881 1.00 0.56 H ATOM 300 CD LYS A 19 39.800 -19.181 -42.919 1.00 0.56 C ATOM 301 1HD LYS A 19 40.389 -18.319 -42.604 1.00 0.56 H ATOM 302 2HD LYS A 19 39.115 -19.445 -42.114 1.00 0.56 H ATOM 303 CE LYS A 19 40.722 -20.371 -43.159 1.00 0.56 C ATOM 304 1HE LYS A 19 41.342 -20.181 -44.037 1.00 0.56 H ATOM 305 2HE LYS A 19 41.370 -20.496 -42.288 1.00 0.56 H ATOM 306 NZ LYS A 19 39.919 -21.627 -43.352 1.00 0.56 N ATOM 307 1HZ LYS A 19 40.526 -22.418 -43.512 1.00 0.56 H ATOM 308 2HZ LYS A 19 39.284 -21.515 -44.130 1.00 0.56 H ATOM 309 3HZ LYS A 19 39.346 -21.810 -42.526 1.00 0.56 H ATOM 310 N GLU A 20 35.334 -15.733 -44.218 1.00 42.11 N ATOM 311 H GLU A 20 35.795 -15.116 -44.879 1.00 42.11 H ATOM 312 CA GLU A 20 34.463 -15.113 -43.230 1.00 42.11 C ATOM 313 HA GLU A 20 34.139 -15.879 -42.537 1.00 42.11 H ATOM 314 C GLU A 20 33.210 -14.512 -43.849 1.00 42.11 C ATOM 315 O GLU A 20 33.248 -13.650 -44.720 1.00 42.11 O ATOM 316 CB GLU A 20 35.254 -14.077 -42.430 1.00 42.11 C ATOM 317 1HB GLU A 20 35.532 -13.261 -43.088 1.00 42.11 H ATOM 318 2HB GLU A 20 34.624 -13.693 -41.630 1.00 42.11 H ATOM 319 CG GLU A 20 36.519 -14.671 -41.834 1.00 42.11 C ATOM 320 1HG GLU A 20 36.250 -15.531 -41.233 1.00 42.11 H ATOM 321 2HG GLU A 20 37.168 -15.014 -42.636 1.00 42.11 H ATOM 322 CD GLU A 20 37.317 -13.725 -40.977 1.00 42.11 C ATOM 323 OE1 GLU A 20 37.317 -12.491 -41.187 1.00 42.11 O ATOM 324 OE2 GLU A 20 38.031 -14.251 -40.092 1.00 42.11 O ATOM 325 N GLU A 21 32.082 -15.024 -43.393 1.00 3.63 N ATOM 326 H GLU A 21 32.115 -15.721 -42.652 1.00 3.63 H ATOM 327 CA GLU A 21 30.779 -14.630 -43.894 1.00 3.63 C ATOM 328 HA GLU A 21 30.774 -14.699 -44.981 1.00 3.63 H ATOM 329 C GLU A 21 30.485 -13.197 -43.463 1.00 3.63 C ATOM 330 O GLU A 21 30.597 -12.865 -42.280 1.00 3.63 O ATOM 331 CB GLU A 21 29.713 -15.548 -43.292 1.00 3.63 C ATOM 332 1HB GLU A 21 29.761 -15.438 -42.211 1.00 3.63 H ATOM 333 2HB GLU A 21 28.730 -15.220 -43.631 1.00 3.63 H ATOM 334 CG GLU A 21 29.867 -17.024 -43.603 1.00 3.63 C ATOM 335 1HG GLU A 21 29.739 -17.178 -44.675 1.00 3.63 H ATOM 336 2HG GLU A 21 30.868 -17.345 -43.322 1.00 3.63 H ATOM 337 CD GLU A 21 28.861 -17.876 -42.841 1.00 3.63 C ATOM 338 OE1 GLU A 21 28.910 -17.929 -41.591 1.00 3.63 O ATOM 339 OE2 GLU A 21 28.009 -18.527 -43.484 1.00 3.63 O ATOM 340 N GLN A 22 30.074 -12.364 -44.408 1.00 -8.01 N ATOM 341 H GLN A 22 30.037 -12.698 -45.359 1.00 -8.01 H ATOM 342 CA GLN A 22 29.692 -10.973 -44.149 1.00 -8.01 C ATOM 343 HA GLN A 22 30.368 -10.560 -43.397 1.00 -8.01 H ATOM 344 C GLN A 22 28.257 -10.935 -43.598 1.00 -8.01 C ATOM 345 O GLN A 22 27.292 -10.499 -44.249 1.00 -8.01 O ATOM 346 CB GLN A 22 29.843 -10.177 -45.452 1.00 -8.01 C ATOM 347 1HB GLN A 22 30.813 -10.427 -45.883 1.00 -8.01 H ATOM 348 2HB GLN A 22 29.073 -10.509 -46.148 1.00 -8.01 H ATOM 349 CG GLN A 22 29.778 -8.654 -45.311 1.00 -8.01 C ATOM 350 1HG GLN A 22 28.819 -8.373 -44.879 1.00 -8.01 H ATOM 351 2HG GLN A 22 30.575 -8.330 -44.640 1.00 -8.01 H ATOM 352 CD GLN A 22 29.943 -7.940 -46.644 1.00 -8.01 C ATOM 353 OE1 GLN A 22 30.765 -7.047 -46.788 1.00 -8.01 O ATOM 354 NE2 GLN A 22 29.161 -8.314 -47.622 1.00 -8.01 N ATOM 355 1HE2 GLN A 22 29.258 -7.862 -48.516 1.00 -8.01 H ATOM 356 2HE2 GLN A 22 28.491 -9.050 -47.484 1.00 -8.01 H ATOM 357 N ILE A 23 28.094 -11.486 -42.406 1.00 8.36 N ATOM 358 H ILE A 23 28.924 -11.807 -41.904 1.00 8.36 H ATOM 359 CA ILE A 23 26.775 -11.715 -41.824 1.00 8.36 C ATOM 360 HA ILE A 23 26.165 -12.198 -42.586 1.00 8.36 H ATOM 361 C ILE A 23 26.043 -10.445 -41.423 1.00 8.36 C ATOM 362 O ILE A 23 24.818 -10.468 -41.263 1.00 8.36 O ATOM 363 CB ILE A 23 26.839 -12.672 -40.610 1.00 8.36 C ATOM 364 HB ILE A 23 25.824 -12.824 -40.268 1.00 8.36 H ATOM 365 CG1 ILE A 23 27.660 -12.085 -39.445 1.00 8.36 C ATOM 366 1HG1 ILE A 23 28.706 -12.025 -39.745 1.00 8.36 H ATOM 367 2HG1 ILE A 23 27.309 -11.078 -39.229 1.00 8.36 H ATOM 368 CG2 ILE A 23 27.391 -14.028 -41.049 1.00 8.36 C ATOM 369 1HG2 ILE A 23 27.203 -14.769 -40.278 1.00 8.36 H ATOM 370 2HG2 ILE A 23 28.466 -13.961 -41.207 1.00 8.36 H ATOM 371 3HG2 ILE A 23 26.912 -14.363 -41.969 1.00 8.36 H ATOM 372 CD1 ILE A 23 27.584 -12.887 -38.153 1.00 8.36 C ATOM 373 1HD1 ILE A 23 28.159 -12.383 -37.376 1.00 8.36 H ATOM 374 2HD1 ILE A 23 28.000 -13.880 -38.294 1.00 8.36 H ATOM 375 3HD1 ILE A 23 26.549 -12.976 -37.824 1.00 8.36 H ATOM 376 N GLY A 24 26.749 -9.331 -41.317 1.00 0.64 N ATOM 377 H GLY A 24 27.755 -9.347 -41.464 1.00 0.64 H ATOM 378 CA GLY A 24 26.114 -8.072 -40.979 1.00 0.64 C ATOM 379 1HA GLY A 24 25.534 -7.725 -41.829 1.00 0.64 H ATOM 380 2HA GLY A 24 25.447 -8.218 -40.130 1.00 0.64 H ATOM 381 C GLY A 24 27.122 -7.007 -40.635 1.00 0.64 C ATOM 382 O GLY A 24 28.213 -6.986 -41.204 1.00 0.64 O ATOM 383 N LYS A 25 26.765 -6.151 -39.691 1.00 0.48 N ATOM 384 H LYS A 25 25.854 -6.227 -39.256 1.00 0.48 H ATOM 385 CA LYS A 25 27.654 -5.126 -39.159 1.00 0.48 C ATOM 386 HA LYS A 25 28.694 -5.348 -39.385 1.00 0.48 H ATOM 387 C LYS A 25 27.460 -5.172 -37.657 1.00 0.48 C ATOM 388 O LYS A 25 26.379 -5.547 -37.206 1.00 0.48 O ATOM 389 CB LYS A 25 27.293 -3.728 -39.670 1.00 0.48 C ATOM 390 1HB LYS A 25 26.213 -3.593 -39.610 1.00 0.48 H ATOM 391 2HB LYS A 25 27.758 -3.014 -39.000 1.00 0.48 H ATOM 392 CG LYS A 25 27.774 -3.401 -41.078 1.00 0.48 C ATOM 393 1HG LYS A 25 28.847 -3.561 -41.133 1.00 0.48 H ATOM 394 2HG LYS A 25 27.271 -4.038 -41.805 1.00 0.48 H ATOM 395 CD LYS A 25 27.489 -1.940 -41.377 1.00 0.48 C ATOM 396 1HD LYS A 25 26.412 -1.777 -41.333 1.00 0.48 H ATOM 397 2HD LYS A 25 27.973 -1.332 -40.614 1.00 0.48 H ATOM 398 CE LYS A 25 28.011 -1.494 -42.731 1.00 0.48 C ATOM 399 1HE LYS A 25 29.100 -1.601 -42.744 1.00 0.48 H ATOM 400 2HE LYS A 25 27.577 -2.119 -43.513 1.00 0.48 H ATOM 401 NZ LYS A 25 27.634 -0.054 -42.961 1.00 0.48 N ATOM 402 1HZ LYS A 25 28.054 0.286 -43.815 1.00 0.48 H ATOM 403 2HZ LYS A 25 27.950 0.517 -42.182 1.00 0.48 H ATOM 404 3HZ LYS A 25 26.629 0.035 -43.025 1.00 0.48 H ATOM 405 N CYS A 26 28.477 -4.790 -36.905 1.00 37.50 N ATOM 406 H CYS A 26 29.352 -4.529 -37.357 1.00 37.50 H ATOM 407 CA CYS A 26 28.361 -4.668 -35.456 1.00 37.50 C ATOM 408 HA CYS A 26 27.735 -5.472 -35.067 1.00 37.50 H ATOM 409 C CYS A 26 27.705 -3.325 -35.144 1.00 37.50 C ATOM 410 O CYS A 26 26.912 -3.201 -34.208 1.00 37.50 O ATOM 411 CB CYS A 26 29.740 -4.733 -34.796 1.00 37.50 C ATOM 412 1HB CYS A 26 30.372 -3.943 -35.200 1.00 37.50 H ATOM 413 2HB CYS A 26 29.619 -4.567 -33.725 1.00 37.50 H ATOM 414 SG CYS A 26 30.570 -6.334 -35.039 1.00 37.50 S ATOM 415 N SER A 27 28.018 -2.328 -35.960 1.00 26.45 N ATOM 416 H SER A 27 28.660 -2.487 -36.731 1.00 26.45 H ATOM 417 CA SER A 27 27.449 -0.988 -35.850 1.00 26.45 C ATOM 418 HA SER A 27 26.435 -1.030 -35.453 1.00 26.45 H ATOM 419 C SER A 27 27.437 -0.468 -37.273 1.00 26.45 C ATOM 420 O SER A 27 28.324 -0.818 -38.044 1.00 26.45 O ATOM 421 CB SER A 27 28.323 -0.082 -34.981 1.00 26.45 C ATOM 422 1HB SER A 27 28.331 -0.467 -33.960 1.00 26.45 H ATOM 423 2HB SER A 27 29.341 -0.082 -35.371 1.00 26.45 H ATOM 424 OG SER A 27 27.819 1.245 -34.984 1.00 26.45 O ATOM 425 HG SER A 27 28.023 1.647 -34.132 1.00 26.45 H ATOM 426 N THR A 28 26.455 0.344 -37.638 1.00 27.35 N ATOM 427 H THR A 28 25.770 0.646 -36.960 1.00 27.35 H ATOM 428 CA THR A 28 26.320 0.778 -39.030 1.00 27.35 C ATOM 429 HA THR A 28 26.359 -0.115 -39.645 1.00 27.35 H ATOM 430 C THR A 28 27.475 1.674 -39.486 1.00 27.35 C ATOM 431 O THR A 28 27.784 1.752 -40.682 1.00 27.35 O ATOM 432 CB THR A 28 24.941 1.439 -39.293 1.00 27.35 C ATOM 433 HB THR A 28 24.167 0.798 -38.870 1.00 27.35 H ATOM 434 OG1 THR A 28 24.728 1.544 -40.702 1.00 27.35 O ATOM 435 HG1 THR A 28 23.866 1.945 -40.845 1.00 27.35 H ATOM 436 CG2 THR A 28 24.809 2.831 -38.685 1.00 27.35 C ATOM 437 1HG2 THR A 28 23.788 3.187 -38.827 1.00 27.35 H ATOM 438 2HG2 THR A 28 25.491 3.525 -39.179 1.00 27.35 H ATOM 439 3HG2 THR A 28 25.020 2.805 -37.616 1.00 27.35 H ATOM 440 N ARG A 29 28.160 2.306 -38.539 1.00 0.24 N ATOM 441 H ARG A 29 27.894 2.176 -37.574 1.00 0.24 H ATOM 442 CA ARG A 29 29.313 3.155 -38.847 1.00 0.24 C ATOM 443 HA ARG A 29 29.085 3.712 -39.757 1.00 0.24 H ATOM 444 C ARG A 29 30.543 2.290 -39.129 1.00 0.24 C ATOM 445 O ARG A 29 31.341 1.992 -38.242 1.00 0.24 O ATOM 446 CB ARG A 29 29.552 4.172 -37.723 1.00 0.24 C ATOM 447 1HB ARG A 29 28.590 4.621 -37.474 1.00 0.24 H ATOM 448 2HB ARG A 29 29.932 3.662 -36.837 1.00 0.24 H ATOM 449 CG ARG A 29 30.509 5.299 -38.119 1.00 0.24 C ATOM 450 1HG ARG A 29 31.523 4.906 -38.204 1.00 0.24 H ATOM 451 2HG ARG A 29 30.201 5.684 -39.092 1.00 0.24 H ATOM 452 CD ARG A 29 30.485 6.460 -37.124 1.00 0.24 C ATOM 453 1HD ARG A 29 31.051 7.293 -37.543 1.00 0.24 H ATOM 454 2HD ARG A 29 29.451 6.787 -37.004 1.00 0.24 H ATOM 455 NE ARG A 29 31.032 6.122 -35.798 1.00 0.24 N ATOM 456 HE ARG A 29 30.374 5.762 -35.127 1.00 0.24 H ATOM 457 CZ ARG A 29 32.287 6.286 -35.395 1.00 0.24 C ATOM 458 NH1 ARG A 29 32.591 5.988 -34.163 1.00 0.24 N ATOM 459 1HH1 ARG A 29 31.887 5.644 -33.533 1.00 0.24 H ATOM 460 2HH1 ARG A 29 33.532 6.118 -33.831 1.00 0.24 H ATOM 461 NH2 ARG A 29 33.247 6.745 -36.159 1.00 0.24 N ATOM 462 1HH2 ARG A 29 33.050 6.979 -37.117 1.00 0.24 H ATOM 463 2HH2 ARG A 29 34.174 6.872 -35.791 1.00 0.24 H ATOM 464 N GLY A 30 30.647 1.856 -40.375 1.00 17.67 N ATOM 465 H GLY A 30 29.907 2.085 -41.023 1.00 17.67 H ATOM 466 CA GLY A 30 31.749 1.030 -40.845 1.00 17.67 C ATOM 467 1HA GLY A 30 31.815 1.111 -41.929 1.00 17.67 H ATOM 468 2HA GLY A 30 32.680 1.408 -40.422 1.00 17.67 H ATOM 469 C GLY A 30 31.634 -0.438 -40.487 1.00 17.67 C ATOM 470 O GLY A 30 31.346 -1.260 -41.356 1.00 17.67 O ATOM 471 N ARG A 31 31.808 -0.728 -39.203 1.00 4.83 N ATOM 472 H ARG A 31 31.680 0.026 -38.537 1.00 4.83 H ATOM 473 CA ARG A 31 32.243 -2.035 -38.693 1.00 4.83 C ATOM 474 HA ARG A 31 33.258 -2.204 -39.048 1.00 4.83 H ATOM 475 C ARG A 31 31.442 -3.245 -39.145 1.00 4.83 C ATOM 476 O ARG A 31 30.401 -3.565 -38.570 1.00 4.83 O ATOM 477 CB ARG A 31 32.249 -2.011 -37.160 1.00 4.83 C ATOM 478 1HB ARG A 31 31.272 -1.666 -36.822 1.00 4.83 H ATOM 479 2HB ARG A 31 32.396 -3.028 -36.794 1.00 4.83 H ATOM 480 CG ARG A 31 33.322 -1.125 -36.535 1.00 4.83 C ATOM 481 1HG ARG A 31 33.383 -0.179 -37.072 1.00 4.83 H ATOM 482 2HG ARG A 31 33.051 -0.926 -35.498 1.00 4.83 H ATOM 483 CD ARG A 31 34.677 -1.818 -36.550 1.00 4.83 C ATOM 484 1HD ARG A 31 34.601 -2.734 -35.966 1.00 4.83 H ATOM 485 2HD ARG A 31 34.936 -2.079 -37.575 1.00 4.83 H ATOM 486 NE ARG A 31 35.740 -0.970 -35.989 1.00 4.83 N ATOM 487 HE ARG A 31 35.498 -0.010 -35.819 1.00 4.83 H ATOM 488 CZ ARG A 31 36.978 -1.352 -35.702 1.00 4.83 C ATOM 489 NH1 ARG A 31 37.834 -0.449 -35.309 1.00 4.83 N ATOM 490 1HH1 ARG A 31 37.562 0.515 -35.246 1.00 4.83 H ATOM 491 2HH1 ARG A 31 38.769 -0.718 -35.059 1.00 4.83 H ATOM 492 NH2 ARG A 31 37.401 -2.587 -35.773 1.00 4.83 N ATOM 493 1HH2 ARG A 31 36.746 -3.330 -36.017 1.00 4.83 H ATOM 494 2HH2 ARG A 31 38.354 -2.814 -35.565 1.00 4.83 H ATOM 495 N LYS A 32 31.960 -3.934 -40.147 1.00 -7.16 N ATOM 496 H LYS A 32 32.838 -3.615 -40.533 1.00 -7.16 H ATOM 497 CA LYS A 32 31.360 -5.157 -40.671 1.00 -7.16 C ATOM 498 HA LYS A 32 30.301 -5.007 -40.848 1.00 -7.16 H ATOM 499 C LYS A 32 31.520 -6.279 -39.664 1.00 -7.16 C ATOM 500 O LYS A 32 32.413 -6.244 -38.837 1.00 -7.16 O ATOM 501 CB LYS A 32 32.033 -5.563 -41.977 1.00 -7.16 C ATOM 502 1HB LYS A 32 33.112 -5.639 -41.825 1.00 -7.16 H ATOM 503 2HB LYS A 32 31.653 -6.546 -42.257 1.00 -7.16 H ATOM 504 CG LYS A 32 31.740 -4.606 -43.116 1.00 -7.16 C ATOM 505 1HG LYS A 32 30.660 -4.487 -43.208 1.00 -7.16 H ATOM 506 2HG LYS A 32 32.194 -3.636 -42.915 1.00 -7.16 H ATOM 507 CD LYS A 32 32.278 -5.169 -44.412 1.00 -7.16 C ATOM 508 1HD LYS A 32 33.347 -5.332 -44.307 1.00 -7.16 H ATOM 509 2HD LYS A 32 31.800 -6.127 -44.609 1.00 -7.16 H ATOM 510 CE LYS A 32 32.017 -4.222 -45.577 1.00 -7.16 C ATOM 511 1HE LYS A 32 30.941 -4.085 -45.699 1.00 -7.16 H ATOM 512 2HE LYS A 32 32.484 -3.258 -45.367 1.00 -7.16 H ATOM 513 NZ LYS A 32 32.608 -4.797 -46.828 1.00 -7.16 N ATOM 514 1HZ LYS A 32 32.393 -4.208 -47.618 1.00 -7.16 H ATOM 515 2HZ LYS A 32 32.223 -5.726 -46.986 1.00 -7.16 H ATOM 516 3HZ LYS A 32 33.617 -4.853 -46.726 1.00 -7.16 H ATOM 517 N CYS A 33 30.652 -7.272 -39.759 1.00-10.63 N ATOM 518 H CYS A 33 29.946 -7.250 -40.486 1.00-10.63 H ATOM 519 CA CYS A 33 30.671 -8.420 -38.869 1.00-10.63 C ATOM 520 HA CYS A 33 31.438 -8.283 -38.116 1.00-10.63 H ATOM 521 C CYS A 33 30.993 -9.647 -39.713 1.00-10.63 C ATOM 522 O CYS A 33 30.220 -10.011 -40.608 1.00-10.63 O ATOM 523 CB CYS A 33 29.327 -8.524 -38.169 1.00-10.63 C ATOM 524 1HB CYS A 33 29.089 -7.537 -37.777 1.00-10.63 H ATOM 525 2HB CYS A 33 28.567 -8.799 -38.897 1.00-10.63 H ATOM 526 SG CYS A 33 29.273 -9.688 -36.776 1.00-10.63 S ATOM 527 N CYS A 34 32.176 -10.197 -39.475 1.00 0.32 N ATOM 528 H CYS A 34 32.735 -9.818 -38.715 1.00 0.32 H ATOM 529 CA CYS A 34 32.782 -11.231 -40.314 1.00 0.32 C ATOM 530 HA CYS A 34 32.171 -11.378 -41.202 1.00 0.32 H ATOM 531 C CYS A 34 32.960 -12.572 -39.598 1.00 0.32 C ATOM 532 O CYS A 34 33.833 -12.716 -38.736 1.00 0.32 O ATOM 533 CB CYS A 34 34.152 -10.717 -40.748 1.00 0.32 C ATOM 534 1HB CYS A 34 34.780 -10.621 -39.865 1.00 0.32 H ATOM 535 2HB CYS A 34 34.617 -11.441 -41.414 1.00 0.32 H ATOM 536 SG CYS A 34 34.088 -9.095 -41.574 1.00 0.32 S ATOM 537 N ARG A 35 32.129 -13.556 -39.908 1.00 6.52 N ATOM 538 H ARG A 35 31.465 -13.417 -40.673 1.00 6.52 H ATOM 539 CA ARG A 35 32.126 -14.831 -39.174 1.00 6.52 C ATOM 540 HA ARG A 35 32.626 -14.692 -38.217 1.00 6.52 H ATOM 541 C ARG A 35 32.838 -15.951 -39.919 1.00 6.52 C ATOM 542 O ARG A 35 32.375 -16.378 -40.966 1.00 6.52 O ATOM 543 CB ARG A 35 30.678 -15.234 -38.901 1.00 6.52 C ATOM 544 1HB ARG A 35 30.186 -14.390 -38.424 1.00 6.52 H ATOM 545 2HB ARG A 35 30.184 -15.429 -39.852 1.00 6.52 H ATOM 546 CG ARG A 35 30.521 -16.453 -37.999 1.00 6.52 C ATOM 547 1HG ARG A 35 30.934 -17.334 -38.491 1.00 6.52 H ATOM 548 2HG ARG A 35 31.056 -16.277 -37.066 1.00 6.52 H ATOM 549 CD ARG A 35 29.054 -16.694 -37.685 1.00 6.52 C ATOM 550 1HD ARG A 35 28.977 -17.480 -36.933 1.00 6.52 H ATOM 551 2HD ARG A 35 28.634 -15.777 -37.271 1.00 6.52 H ATOM 552 NE ARG A 35 28.292 -17.094 -38.879 1.00 6.52 N ATOM 553 HE ARG A 35 28.822 -17.397 -39.699 1.00 6.52 H ATOM 554 CZ ARG A 35 26.975 -17.114 -39.005 1.00 6.52 C ATOM 555 NH1 ARG A 35 26.479 -17.601 -40.104 1.00 6.52 N ATOM 556 1HH1 ARG A 35 27.134 -17.904 -40.833 1.00 6.52 H ATOM 557 2HH1 ARG A 35 25.492 -17.673 -40.245 1.00 6.52 H ATOM 558 NH2 ARG A 35 26.151 -16.640 -38.102 1.00 6.52 N ATOM 559 1HH2 ARG A 35 26.530 -16.205 -37.275 1.00 6.52 H ATOM 560 2HH2 ARG A 35 25.162 -16.691 -38.247 1.00 6.52 H ATOM 561 N ARG A 36 33.956 -16.433 -39.392 1.00 -3.76 N ATOM 562 H ARG A 36 34.295 -16.058 -38.522 1.00 -3.76 H ATOM 563 CA ARG A 36 34.706 -17.513 -40.047 1.00 -3.76 C ATOM 564 HA ARG A 36 34.962 -17.193 -41.055 1.00 -3.76 H ATOM 565 C ARG A 36 33.857 -18.770 -40.177 1.00 -3.76 C ATOM 566 O ARG A 36 33.468 -19.361 -39.168 1.00 -3.76 O ATOM 567 CB ARG A 36 36.001 -17.815 -39.279 1.00 -3.76 C ATOM 568 1HB ARG A 36 36.558 -16.885 -39.162 1.00 -3.76 H ATOM 569 2HB ARG A 36 35.742 -18.175 -38.283 1.00 -3.76 H ATOM 570 CG ARG A 36 36.909 -18.838 -39.969 1.00 -3.76 C ATOM 571 1HG ARG A 36 36.445 -19.153 -40.903 1.00 -3.76 H ATOM 572 2HG ARG A 36 37.857 -18.357 -40.208 1.00 -3.76 H ATOM 573 CD ARG A 36 37.181 -20.081 -39.117 1.00 -3.76 C ATOM 574 1HD ARG A 36 37.832 -20.748 -39.682 1.00 -3.76 H ATOM 575 2HD ARG A 36 37.696 -19.781 -38.204 1.00 -3.76 H ATOM 576 NE ARG A 36 35.942 -20.789 -38.758 1.00 -3.76 N ATOM 577 HE ARG A 36 35.087 -20.243 -38.759 1.00 -3.76 H ATOM 578 CZ ARG A 36 35.817 -22.062 -38.412 1.00 -3.76 C ATOM 579 NH1 ARG A 36 34.641 -22.477 -38.042 1.00 -3.76 N ATOM 580 1HH1 ARG A 36 33.859 -21.837 -38.051 1.00 -3.76 H ATOM 581 2HH1 ARG A 36 34.497 -23.435 -37.780 1.00 -3.76 H ATOM 582 NH2 ARG A 36 36.797 -22.929 -38.445 1.00 -3.76 N ATOM 583 1HH2 ARG A 36 37.677 -22.663 -38.862 1.00 -3.76 H ATOM 584 2HH2 ARG A 36 36.663 -23.859 -38.096 1.00 -3.76 H ATOM 585 N LYS A 37 33.595 -19.192 -41.404 1.00 -3.93 N ATOM 586 H LYS A 37 33.942 -18.658 -42.202 1.00 -3.93 H ATOM 587 CA LYS A 37 32.768 -20.369 -41.648 1.00 -3.93 C ATOM 588 HA LYS A 37 31.947 -20.363 -40.930 1.00 -3.93 H ATOM 589 C LYS A 37 33.548 -21.665 -41.474 1.00 -3.93 C ATOM 590 O LYS A 37 33.054 -22.616 -40.876 1.00 -3.93 O ATOM 591 CB LYS A 37 32.187 -20.280 -43.060 1.00 -3.93 C ATOM 592 1HB LYS A 37 31.866 -19.255 -43.218 1.00 -3.93 H ATOM 593 2HB LYS A 37 32.961 -20.512 -43.792 1.00 -3.93 H ATOM 594 CG LYS A 37 30.988 -21.181 -43.280 1.00 -3.93 C ATOM 595 1HG LYS A 37 31.286 -22.225 -43.182 1.00 -3.93 H ATOM 596 2HG LYS A 37 30.243 -20.948 -42.519 1.00 -3.93 H ATOM 597 CD LYS A 37 30.389 -20.947 -44.662 1.00 -3.93 C ATOM 598 1HD LYS A 37 30.170 -19.885 -44.779 1.00 -3.93 H ATOM 599 2HD LYS A 37 31.118 -21.236 -45.420 1.00 -3.93 H ATOM 600 CE LYS A 37 29.100 -21.738 -44.873 1.00 -3.93 C ATOM 601 1HE LYS A 37 28.766 -21.589 -45.902 1.00 -3.93 H ATOM 602 2HE LYS A 37 29.303 -22.800 -44.720 1.00 -3.93 H ATOM 603 NZ LYS A 37 28.015 -21.292 -43.933 1.00 -3.93 N ATOM 604 1HZ LYS A 37 27.137 -21.729 -44.171 1.00 -3.93 H ATOM 605 2HZ LYS A 37 27.909 -20.276 -43.982 1.00 -3.93 H ATOM 606 3HZ LYS A 37 28.263 -21.526 -42.982 1.00 -3.93 H ATOM 607 N LYS A 38 34.773 -21.690 -41.977 1.00 0.41 N ATOM 608 H LYS A 38 35.152 -20.876 -42.452 1.00 0.41 H ATOM 609 CA LYS A 38 35.663 -22.846 -41.882 1.00 0.41 C ATOM 610 HA LYS A 38 35.542 -23.348 -40.925 1.00 0.41 H ATOM 611 C LYS A 38 37.040 -22.230 -41.982 1.00 0.41 C ATOM 612 O LYS A 38 38.033 -22.684 -41.385 1.00 0.41 O ATOM 613 OXT LYS A 38 37.080 -21.209 -42.688 1.00 0.41 O ATOM 614 CB LYS A 38 35.399 -23.823 -43.032 1.00 0.41 C ATOM 615 1HB LYS A 38 34.333 -24.052 -43.046 1.00 0.41 H ATOM 616 2HB LYS A 38 35.663 -23.341 -43.973 1.00 0.41 H ATOM 617 CG LYS A 38 36.165 -25.132 -42.905 1.00 0.41 C ATOM 618 1HG LYS A 38 37.236 -24.933 -42.925 1.00 0.41 H ATOM 619 2HG LYS A 38 35.907 -25.599 -41.954 1.00 0.41 H ATOM 620 CD LYS A 38 35.812 -26.086 -44.038 1.00 0.41 C ATOM 621 1HD LYS A 38 34.732 -26.240 -44.047 1.00 0.41 H ATOM 622 2HD LYS A 38 36.118 -25.642 -44.986 1.00 0.41 H ATOM 623 CE LYS A 38 36.509 -27.431 -43.853 1.00 0.41 C ATOM 624 1HE LYS A 38 37.589 -27.269 -43.826 1.00 0.41 H ATOM 625 2HE LYS A 38 36.200 -27.860 -42.897 1.00 0.41 H ATOM 626 NZ LYS A 38 36.172 -28.392 -44.960 1.00 0.41 N ATOM 627 1HZ LYS A 38 36.643 -29.273 -44.805 1.00 0.41 H ATOM 628 2HZ LYS A 38 36.468 -28.011 -45.849 1.00 0.41 H ATOM 629 3HZ LYS A 38 35.173 -28.552 -44.984 1.00 0.41 H TER 630 LYS A 38 CONECT 76 73 526 CONECT 188 185 414 CONECT 254 251 536 CONECT 414 188 411 CONECT 526 76 523 CONECT 536 254 533 END
SEQUENCE	KYYCRVRGGRCAVLSCLPKEEQIGKCSTRGRKCCRRKK
HELICITY	36.80	INSTAB. INDEX	56.97	FLEXIBILITY	12.52
a HYD. MOM.	28.33	b HYD. MOM.	15.70	c HYD. MOM	4.37
a MEAN HYD. MOM.	0.75	b MEAN HYD. MOM.	0.41	c MEAN HYD. MOM.	0.12
CHARGE pH5	11.30	CHARGE pH7	10.73	CHARGE pH9	5.52
Δ CHARGE pH5-pH9	5.78	ISOELECTRIC POINT	10.08	BOMAN INDEX	3.43
ΔG	38	CPP	0,66	MLP	-24,00
MOLECULAR VOLUME		POLARITY
MIC E. coli	2	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	4	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2003
TITLE PAPER	Antimicrobial Characterization of Human -Defensin 3 Derivatives