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ID	2452	NAME	Cg-Defh2   Blast NCBI-PROT
LENGTH	43	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\GFGCPGDQYECNRHCRSIGCRAGYCDAVTLWLRCTCTGCSGKK.pdb REMARK YASARA Written on: Wed May 14 20:52:10 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 618 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN MGD-1; COMPND 3 CHAIN: A; SEQRES 1 A 43 GLY PHE GLY CYS PRO GLY ASP GLN TYR GLU CYS ASN ARG SEQRES 2 A 43 HIS CYS ARG SER ILE GLY CYS ARG ALA GLY TYR CYS ASP SEQRES 3 A 43 ALA VAL THR LEU TRP LEU ARG CYS THR CYS THR GLY CYS SEQRES 4 A 43 SER GLY 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 25 2.03 SSBOND 3 CYS A 11 CYS A 34 2.03 SSBOND 5 CYS A 15 CYS A 36 2.03 ATOM 1 N GLY A 1 32.196 -15.589 28.704 1.00-15.55 N ATOM 2 1H GLY A 1 31.529 -15.073 29.259 1.00-15.55 H ATOM 3 2H GLY A 1 31.972 -16.575 28.740 1.00-15.55 H ATOM 4 3H GLY A 1 32.152 -15.281 27.742 1.00-15.55 H ATOM 5 CA GLY A 1 33.561 -15.380 29.234 1.00-15.55 C ATOM 6 1HA GLY A 1 33.790 -14.317 29.227 1.00-15.55 H ATOM 7 2HA GLY A 1 33.603 -15.759 30.255 1.00-15.55 H ATOM 8 C GLY A 1 34.571 -16.117 28.397 1.00-15.55 C ATOM 9 O GLY A 1 34.152 -17.011 27.684 1.00-15.55 O ATOM 10 N PHE A 2 35.851 -15.748 28.454 1.00 12.56 N ATOM 11 H PHE A 2 36.136 -15.006 29.076 1.00 12.56 H ATOM 12 CA PHE A 2 36.906 -16.366 27.631 1.00 12.56 C ATOM 13 HA PHE A 2 37.831 -15.815 27.793 1.00 12.56 H ATOM 14 C PHE A 2 36.573 -16.271 26.138 1.00 12.56 C ATOM 15 O PHE A 2 36.733 -17.215 25.383 1.00 12.56 O ATOM 16 CB PHE A 2 37.178 -17.826 28.034 1.00 12.56 C ATOM 17 1HB PHE A 2 36.281 -18.423 27.875 1.00 12.56 H ATOM 18 2HB PHE A 2 37.965 -18.218 27.391 1.00 12.56 H ATOM 19 CG PHE A 2 37.636 -17.991 29.456 1.00 12.56 C ATOM 20 CD1 PHE A 2 36.709 -18.116 30.508 1.00 12.56 C ATOM 21 HD1 PHE A 2 35.652 -18.084 30.298 1.00 12.56 H ATOM 22 CD2 PHE A 2 39.011 -18.037 29.748 1.00 12.56 C ATOM 23 HD2 PHE A 2 39.737 -17.951 28.951 1.00 12.56 H ATOM 24 CE1 PHE A 2 37.146 -18.273 31.847 1.00 12.56 C ATOM 25 HE1 PHE A 2 36.426 -18.353 32.649 1.00 12.56 H ATOM 26 CE2 PHE A 2 39.465 -18.195 31.080 1.00 12.56 C ATOM 27 HE2 PHE A 2 40.525 -18.219 31.292 1.00 12.56 H ATOM 28 CZ PHE A 2 38.530 -18.314 32.132 1.00 12.56 C ATOM 29 HZ PHE A 2 38.872 -18.425 33.151 1.00 12.56 H ATOM 30 N GLY A 3 36.033 -15.133 25.724 1.00 17.75 N ATOM 31 H GLY A 3 35.940 -14.362 26.359 1.00 17.75 H ATOM 32 CA GLY A 3 35.599 -14.951 24.347 1.00 17.75 C ATOM 33 1HA GLY A 3 35.576 -13.885 24.120 1.00 17.75 H ATOM 34 2HA GLY A 3 36.324 -15.423 23.684 1.00 17.75 H ATOM 35 C GLY A 3 34.234 -15.534 24.040 1.00 17.75 C ATOM 36 O GLY A 3 33.393 -14.860 23.455 1.00 17.75 O ATOM 37 N CYS A 4 33.980 -16.757 24.482 1.00 12.95 N ATOM 38 H CYS A 4 34.705 -17.256 24.993 1.00 12.95 H ATOM 39 CA CYS A 4 32.700 -17.421 24.260 1.00 12.95 C ATOM 40 HA CYS A 4 32.567 -17.540 23.186 1.00 12.95 H ATOM 41 C CYS A 4 31.556 -16.572 24.834 1.00 12.95 C ATOM 42 O CYS A 4 31.706 -15.967 25.906 1.00 12.95 O ATOM 43 CB CYS A 4 32.742 -18.801 24.909 1.00 12.95 C ATOM 44 1HB CYS A 4 32.871 -18.681 25.985 1.00 12.95 H ATOM 45 2HB CYS A 4 31.812 -19.331 24.720 1.00 12.95 H ATOM 46 SG CYS A 4 34.133 -19.775 24.267 1.00 12.95 S ATOM 47 N PRO A 5 30.406 -16.490 24.139 1.00 12.64 N ATOM 48 CA PRO A 5 29.917 -17.115 22.899 1.00 12.64 C ATOM 49 HA PRO A 5 30.102 -18.189 22.930 1.00 12.64 H ATOM 50 C PRO A 5 30.448 -16.583 21.558 1.00 12.64 C ATOM 51 O PRO A 5 29.981 -17.022 20.514 1.00 12.64 O ATOM 52 CB PRO A 5 28.407 -16.877 22.997 1.00 12.64 C ATOM 53 1HB PRO A 5 27.938 -16.868 22.014 1.00 12.64 H ATOM 54 2HB PRO A 5 27.944 -17.634 23.629 1.00 12.64 H ATOM 55 CG PRO A 5 28.313 -15.559 23.639 1.00 12.64 C ATOM 56 1HG PRO A 5 28.530 -14.774 22.913 1.00 12.64 H ATOM 57 2HG PRO A 5 27.326 -15.410 24.077 1.00 12.64 H ATOM 58 CD PRO A 5 29.375 -15.600 24.708 1.00 12.64 C ATOM 59 1HD PRO A 5 29.771 -14.599 24.885 1.00 12.64 H ATOM 60 2HD PRO A 5 28.973 -16.024 25.629 1.00 12.64 H ATOM 61 N GLY A 6 31.432 -15.690 21.563 1.00 40.58 N ATOM 62 H GLY A 6 31.835 -15.369 22.440 1.00 40.58 H ATOM 63 CA GLY A 6 32.029 -15.144 20.348 1.00 40.58 C ATOM 64 1HA GLY A 6 31.230 -14.844 19.670 1.00 40.58 H ATOM 65 2HA GLY A 6 32.588 -14.249 20.621 1.00 40.58 H ATOM 66 C GLY A 6 32.976 -16.051 19.575 1.00 40.58 C ATOM 67 O GLY A 6 34.087 -15.655 19.249 1.00 40.58 O ATOM 68 N ASP A 7 32.499 -17.253 19.282 1.00 20.71 N ATOM 69 H ASP A 7 31.551 -17.451 19.589 1.00 20.71 H ATOM 70 CA ASP A 7 33.195 -18.297 18.520 1.00 20.71 C ATOM 71 HA ASP A 7 32.486 -19.118 18.432 1.00 20.71 H ATOM 72 C ASP A 7 34.460 -18.923 19.139 1.00 20.71 C ATOM 73 O ASP A 7 35.088 -18.424 20.080 1.00 20.71 O ATOM 74 CB ASP A 7 33.465 -17.827 17.075 1.00 20.71 C ATOM 75 1HB ASP A 7 32.550 -17.403 16.661 1.00 20.71 H ATOM 76 2HB ASP A 7 34.235 -17.057 17.088 1.00 20.71 H ATOM 77 CG ASP A 7 33.937 -18.955 16.184 1.00 20.71 C ATOM 78 OD1 ASP A 7 33.271 -20.015 16.205 1.00 20.71 O ATOM 79 OD2 ASP A 7 35.089 -18.907 15.712 1.00 20.71 O ATOM 80 N GLN A 8 34.827 -20.069 18.583 1.00-12.83 N ATOM 81 H GLN A 8 34.288 -20.404 17.781 1.00-12.83 H ATOM 82 CA GLN A 8 35.993 -20.831 18.986 1.00-12.83 C ATOM 83 HA GLN A 8 35.932 -21.016 20.058 1.00-12.83 H ATOM 84 C GLN A 8 37.267 -20.054 18.676 1.00-12.83 C ATOM 85 O GLN A 8 38.286 -20.283 19.316 1.00-12.83 O ATOM 86 CB GLN A 8 36.043 -22.171 18.242 1.00-12.83 C ATOM 87 1HB GLN A 8 36.372 -21.983 17.220 1.00-12.83 H ATOM 88 2HB GLN A 8 36.790 -22.801 18.726 1.00-12.83 H ATOM 89 CG GLN A 8 34.719 -22.936 18.161 1.00-12.83 C ATOM 90 1HG GLN A 8 34.042 -22.399 17.498 1.00-12.83 H ATOM 91 2HG GLN A 8 34.905 -23.916 17.724 1.00-12.83 H ATOM 92 CD GLN A 8 34.028 -23.117 19.494 1.00-12.83 C ATOM 93 OE1 GLN A 8 34.614 -23.553 20.473 1.00-12.83 O ATOM 94 NE2 GLN A 8 32.764 -22.789 19.540 1.00-12.83 N ATOM 95 1HE2 GLN A 8 32.271 -22.892 20.409 1.00-12.83 H ATOM 96 2HE2 GLN A 8 32.302 -22.446 18.713 1.00-12.83 H ATOM 97 N TYR A 9 37.239 -19.133 17.721 1.00-11.58 N ATOM 98 H TYR A 9 36.400 -19.001 17.148 1.00-11.58 H ATOM 99 CA TYR A 9 38.406 -18.295 17.459 1.00-11.58 C ATOM 100 HA TYR A 9 39.249 -18.939 17.210 1.00-11.58 H ATOM 101 C TYR A 9 38.795 -17.478 18.688 1.00-11.58 C ATOM 102 O TYR A 9 39.952 -17.518 19.122 1.00-11.58 O ATOM 103 CB TYR A 9 38.142 -17.346 16.287 1.00-11.58 C ATOM 104 1HB TYR A 9 37.947 -17.936 15.391 1.00-11.58 H ATOM 105 2HB TYR A 9 37.256 -16.749 16.505 1.00-11.58 H ATOM 106 CG TYR A 9 39.304 -16.409 16.028 1.00-11.58 C ATOM 107 CD1 TYR A 9 40.426 -16.834 15.289 1.00-11.58 C ATOM 108 HD1 TYR A 9 40.444 -17.830 14.870 1.00-11.58 H ATOM 109 CD2 TYR A 9 39.296 -15.095 16.541 1.00-11.58 C ATOM 110 HD2 TYR A 9 38.442 -14.737 17.104 1.00-11.58 H ATOM 111 CE1 TYR A 9 41.534 -15.964 15.082 1.00-11.58 C ATOM 112 HE1 TYR A 9 42.386 -16.299 14.512 1.00-11.58 H ATOM 113 CE2 TYR A 9 40.400 -14.229 16.343 1.00-11.58 C ATOM 114 HE2 TYR A 9 40.374 -13.227 16.747 1.00-11.58 H ATOM 115 CZ TYR A 9 41.508 -14.672 15.620 1.00-11.58 C ATOM 116 OH TYR A 9 42.582 -13.835 15.441 1.00-11.58 O ATOM 117 HH TYR A 9 43.242 -14.210 14.855 1.00-11.58 H ATOM 118 N GLU A 10 37.848 -16.772 19.292 1.00-10.23 N ATOM 119 H GLU A 10 36.895 -16.767 18.941 1.00-10.23 H ATOM 120 CA GLU A 10 38.178 -15.966 20.463 1.00-10.23 C ATOM 121 HA GLU A 10 39.078 -15.390 20.255 1.00-10.23 H ATOM 122 C GLU A 10 38.477 -16.859 21.646 1.00-10.23 C ATOM 123 O GLU A 10 39.355 -16.551 22.449 1.00-10.23 O ATOM 124 CB GLU A 10 37.058 -15.001 20.842 1.00-10.23 C ATOM 125 1HB GLU A 10 36.117 -15.546 20.896 1.00-10.23 H ATOM 126 2HB GLU A 10 37.277 -14.604 21.833 1.00-10.23 H ATOM 127 CG GLU A 10 36.921 -13.827 19.889 1.00-10.23 C ATOM 128 1HG GLU A 10 36.642 -14.198 18.902 1.00-10.23 H ATOM 129 2HG GLU A 10 36.132 -13.168 20.254 1.00-10.23 H ATOM 130 CD GLU A 10 38.219 -13.039 19.773 1.00-10.23 C ATOM 131 OE1 GLU A 10 38.576 -12.633 18.655 1.00-10.23 O ATOM 132 OE2 GLU A 10 38.937 -12.850 20.785 1.00-10.23 O ATOM 133 N CYS A 11 37.819 -18.005 21.712 1.00 12.91 N ATOM 134 H CYS A 11 37.091 -18.207 21.031 1.00 12.91 H ATOM 135 CA CYS A 11 38.138 -18.980 22.746 1.00 12.91 C ATOM 136 HA CYS A 11 37.980 -18.527 23.722 1.00 12.91 H ATOM 137 C CYS A 11 39.595 -19.417 22.658 1.00 12.91 C ATOM 138 O CYS A 11 40.319 -19.441 23.650 1.00 12.91 O ATOM 139 CB CYS A 11 37.252 -20.210 22.599 1.00 12.91 C ATOM 140 1HB CYS A 11 36.212 -19.900 22.618 1.00 12.91 H ATOM 141 2HB CYS A 11 37.453 -20.681 21.640 1.00 12.91 H ATOM 142 SG CYS A 11 37.547 -21.440 23.903 1.00 12.91 S ATOM 143 N ASN A 12 40.060 -19.710 21.455 1.00-24.21 N ATOM 144 H ASN A 12 39.430 -19.673 20.654 1.00-24.21 H ATOM 145 CA ASN A 12 41.450 -20.098 21.258 1.00-24.21 C ATOM 146 HA ASN A 12 41.682 -20.929 21.926 1.00-24.21 H ATOM 147 C ASN A 12 42.385 -18.952 21.612 1.00-24.21 C ATOM 148 O ASN A 12 43.434 -19.201 22.197 1.00-24.21 O ATOM 149 CB ASN A 12 41.695 -20.545 19.816 1.00-24.21 C ATOM 150 1HB ASN A 12 41.053 -19.977 19.144 1.00-24.21 H ATOM 151 2HB ASN A 12 42.733 -20.345 19.561 1.00-24.21 H ATOM 152 CG ASN A 12 41.453 -22.016 19.630 1.00-24.21 C ATOM 153 OD1 ASN A 12 42.342 -22.819 19.858 1.00-24.21 O ATOM 154 ND2 ASN A 12 40.273 -22.384 19.237 1.00-24.21 N ATOM 155 1HD2 ASN A 12 40.068 -23.369 19.169 1.00-24.21 H ATOM 156 2HD2 ASN A 12 39.554 -21.690 19.068 1.00-24.21 H ATOM 157 N ARG A 13 42.029 -17.708 21.312 1.00-23.28 N ATOM 158 H ARG A 13 41.154 -17.537 20.813 1.00-23.28 H ATOM 159 CA ARG A 13 42.884 -16.581 21.708 1.00-23.28 C ATOM 160 HA ARG A 13 43.890 -16.763 21.331 1.00-23.28 H ATOM 161 C ARG A 13 42.993 -16.493 23.226 1.00-23.28 C ATOM 162 O ARG A 13 44.088 -16.335 23.761 1.00-23.28 O ATOM 163 CB ARG A 13 42.391 -15.234 21.158 1.00-23.28 C ATOM 164 1HB ARG A 13 41.387 -15.026 21.529 1.00-23.28 H ATOM 165 2HB ARG A 13 43.059 -14.466 21.547 1.00-23.28 H ATOM 166 CG ARG A 13 42.392 -15.134 19.635 1.00-23.28 C ATOM 167 1HG ARG A 13 43.188 -15.767 19.244 1.00-23.28 H ATOM 168 2HG ARG A 13 41.439 -15.480 19.241 1.00-23.28 H ATOM 169 CD ARG A 13 42.653 -13.707 19.160 1.00-23.28 C ATOM 170 1HD ARG A 13 43.592 -13.366 19.597 1.00-23.28 H ATOM 171 2HD ARG A 13 42.766 -13.723 18.076 1.00-23.28 H ATOM 172 NE ARG A 13 41.594 -12.747 19.502 1.00-23.28 N ATOM 173 HE ARG A 13 40.730 -13.108 19.913 1.00-23.28 H ATOM 174 CZ ARG A 13 41.622 -11.438 19.299 1.00-23.28 C ATOM 175 NH1 ARG A 13 40.604 -10.731 19.681 1.00-23.28 N ATOM 176 1HH1 ARG A 13 39.785 -11.235 20.036 1.00-23.28 H ATOM 177 2HH1 ARG A 13 40.592 -9.734 19.597 1.00-23.28 H ATOM 178 NH2 ARG A 13 42.629 -10.810 18.743 1.00-23.28 N ATOM 179 1HH2 ARG A 13 43.424 -11.336 18.431 1.00-23.28 H ATOM 180 2HH2 ARG A 13 42.589 -9.814 18.617 1.00-23.28 H ATOM 181 N HIS A 14 41.879 -16.644 23.925 1.00 -6.86 N ATOM 182 H HIS A 14 40.993 -16.789 23.443 1.00 -6.86 H ATOM 183 CA HIS A 14 41.900 -16.586 25.383 1.00 -6.86 C ATOM 184 HA HIS A 14 42.441 -15.689 25.687 1.00 -6.86 H ATOM 185 C HIS A 14 42.644 -17.774 25.975 1.00 -6.86 C ATOM 186 O HIS A 14 43.443 -17.588 26.877 1.00 -6.86 O ATOM 187 CB HIS A 14 40.485 -16.508 25.955 1.00 -6.86 C ATOM 188 1HB HIS A 14 39.866 -17.280 25.495 1.00 -6.86 H ATOM 189 2HB HIS A 14 40.540 -16.703 27.026 1.00 -6.86 H ATOM 190 CG HIS A 14 39.843 -15.168 25.772 1.00 -6.86 C ATOM 191 ND1 HIS A 14 39.285 -14.721 24.600 1.00 -6.86 N ATOM 192 HD1 HIS A 14 39.231 -15.243 23.725 1.00 -6.86 H ATOM 193 CD2 HIS A 14 39.682 -14.142 26.648 1.00 -6.86 C ATOM 194 HD2 HIS A 14 40.028 -14.146 27.672 1.00 -6.86 H ATOM 195 CE1 HIS A 14 38.833 -13.482 24.796 1.00 -6.86 C ATOM 196 HE1 HIS A 14 38.371 -12.873 24.028 1.00 -6.86 H ATOM 197 NE2 HIS A 14 39.008 -13.103 26.047 1.00 -6.86 N ATOM 198 N CYS A 15 42.462 -18.978 25.456 1.00-15.42 N ATOM 199 H CYS A 15 41.775 -19.115 24.713 1.00-15.42 H ATOM 200 CA CYS A 15 43.216 -20.128 25.951 1.00-15.42 C ATOM 201 HA CYS A 15 43.048 -20.228 27.023 1.00-15.42 H ATOM 202 C CYS A 15 44.719 -19.959 25.737 1.00-15.42 C ATOM 203 O CYS A 15 45.524 -20.296 26.605 1.00-15.42 O ATOM 204 CB CYS A 15 42.742 -21.407 25.261 1.00-15.42 C ATOM 205 1HB CYS A 15 42.755 -21.254 24.182 1.00-15.42 H ATOM 206 2HB CYS A 15 43.434 -22.210 25.499 1.00-15.42 H ATOM 207 SG CYS A 15 41.074 -21.931 25.772 1.00-15.42 S ATOM 208 N ARG A 16 45.118 -19.385 24.614 1.00-11.79 N ATOM 209 H ARG A 16 44.432 -19.105 23.914 1.00-11.79 H ATOM 210 CA ARG A 16 46.540 -19.156 24.345 1.00-11.79 C ATOM 211 HA ARG A 16 47.084 -20.074 24.568 1.00-11.79 H ATOM 212 C ARG A 16 47.155 -18.093 25.243 1.00-11.79 C ATOM 213 O ARG A 16 48.349 -18.148 25.500 1.00-11.79 O ATOM 214 CB ARG A 16 46.745 -18.855 22.859 1.00-11.79 C ATOM 215 1HB ARG A 16 46.019 -18.103 22.546 1.00-11.79 H ATOM 216 2HB ARG A 16 47.751 -18.467 22.699 1.00-11.79 H ATOM 217 CG ARG A 16 46.574 -20.126 22.028 1.00-11.79 C ATOM 218 1HG ARG A 16 47.467 -20.739 22.145 1.00-11.79 H ATOM 219 2HG ARG A 16 45.726 -20.689 22.417 1.00-11.79 H ATOM 220 CD ARG A 16 46.324 -19.902 20.554 1.00-11.79 C ATOM 221 1HD ARG A 16 45.432 -19.286 20.435 1.00-11.79 H ATOM 222 2HD ARG A 16 47.183 -19.404 20.103 1.00-11.79 H ATOM 223 NE ARG A 16 46.112 -21.215 19.928 1.00-11.79 N ATOM 224 HE ARG A 16 46.344 -22.029 20.490 1.00-11.79 H ATOM 225 CZ ARG A 16 45.642 -21.462 18.716 1.00-11.79 C ATOM 226 NH1 ARG A 16 45.513 -22.706 18.359 1.00-11.79 N ATOM 227 1HH1 ARG A 16 45.796 -23.432 19.012 1.00-11.79 H ATOM 228 2HH1 ARG A 16 45.139 -22.951 17.461 1.00-11.79 H ATOM 229 NH2 ARG A 16 45.301 -20.530 17.862 1.00-11.79 N ATOM 230 1HH2 ARG A 16 45.412 -19.564 18.120 1.00-11.79 H ATOM 231 2HH2 ARG A 16 44.945 -20.782 16.956 1.00-11.79 H ATOM 232 N SER A 17 46.357 -17.206 25.822 1.00-14.13 N ATOM 233 H SER A 17 45.374 -17.172 25.584 1.00-14.13 H ATOM 234 CA SER A 17 46.891 -16.277 26.826 1.00-14.13 C ATOM 235 HA SER A 17 47.805 -15.840 26.422 1.00-14.13 H ATOM 236 C SER A 17 47.259 -16.986 28.132 1.00-14.13 C ATOM 237 O SER A 17 48.093 -16.506 28.889 1.00-14.13 O ATOM 238 CB SER A 17 45.918 -15.128 27.112 1.00-14.13 C ATOM 239 1HB SER A 17 46.451 -14.360 27.674 1.00-14.13 H ATOM 240 2HB SER A 17 45.583 -14.698 26.167 1.00-14.13 H ATOM 241 OG SER A 17 44.794 -15.530 27.876 1.00-14.13 O ATOM 242 HG SER A 17 44.348 -16.283 27.449 1.00-14.13 H ATOM 243 N ILE A 18 46.688 -18.164 28.362 1.00-10.20 N ATOM 244 H ILE A 18 46.004 -18.518 27.706 1.00-10.20 H ATOM 245 CA ILE A 18 47.006 -18.998 29.528 1.00-10.20 C ATOM 246 HA ILE A 18 47.441 -18.360 30.298 1.00-10.20 H ATOM 247 C ILE A 18 48.052 -20.055 29.143 1.00-10.20 C ATOM 248 O ILE A 18 48.282 -21.025 29.860 1.00-10.20 O ATOM 249 CB ILE A 18 45.752 -19.720 30.146 1.00-10.20 C ATOM 250 HB ILE A 18 45.722 -20.743 29.771 1.00-10.20 H ATOM 251 CG1 ILE A 18 44.427 -19.042 29.739 1.00-10.20 C ATOM 252 1HG1 ILE A 18 44.413 -18.024 30.132 1.00-10.20 H ATOM 253 2HG1 ILE A 18 44.383 -18.997 28.658 1.00-10.20 H ATOM 254 CG2 ILE A 18 45.887 -19.764 31.693 1.00-10.20 C ATOM 255 1HG2 ILE A 18 45.100 -20.380 32.126 1.00-10.20 H ATOM 256 2HG2 ILE A 18 45.831 -18.755 32.106 1.00-10.20 H ATOM 257 3HG2 ILE A 18 46.848 -20.206 31.964 1.00-10.20 H ATOM 258 CD1 ILE A 18 43.141 -19.757 30.185 1.00-10.20 C ATOM 259 1HD1 ILE A 18 42.284 -19.273 29.717 1.00-10.20 H ATOM 260 2HD1 ILE A 18 43.032 -19.698 31.268 1.00-10.20 H ATOM 261 3HD1 ILE A 18 43.172 -20.802 29.876 1.00-10.20 H ATOM 262 N GLY A 19 48.662 -19.907 27.974 1.00 -2.48 N ATOM 263 H GLY A 19 48.445 -19.112 27.383 1.00 -2.48 H ATOM 264 CA GLY A 19 49.678 -20.851 27.531 1.00 -2.48 C ATOM 265 1HA GLY A 19 50.254 -20.387 26.731 1.00 -2.48 H ATOM 266 2HA GLY A 19 50.353 -21.061 28.361 1.00 -2.48 H ATOM 267 C GLY A 19 49.133 -22.175 27.028 1.00 -2.48 C ATOM 268 O GLY A 19 49.861 -23.157 26.866 1.00 -2.48 O ATOM 269 N CYS A 20 47.834 -22.244 26.791 1.00 3.83 N ATOM 270 H CYS A 20 47.245 -21.431 26.931 1.00 3.83 H ATOM 271 CA CYS A 20 47.240 -23.476 26.294 1.00 3.83 C ATOM 272 HA CYS A 20 47.776 -24.324 26.705 1.00 3.83 H ATOM 273 C CYS A 20 47.380 -23.497 24.777 1.00 3.83 C ATOM 274 O CYS A 20 47.326 -22.460 24.132 1.00 3.83 O ATOM 275 CB CYS A 20 45.787 -23.552 26.739 1.00 3.83 C ATOM 276 1HB CYS A 20 45.260 -22.678 26.368 1.00 3.83 H ATOM 277 2HB CYS A 20 45.321 -24.437 26.311 1.00 3.83 H ATOM 278 SG CYS A 20 45.649 -23.620 28.543 1.00 3.83 S ATOM 279 HG CYS A 20 46.452 -22.577 28.811 1.00 3.83 H ATOM 280 N ARG A 21 47.574 -24.669 24.186 1.00 12.34 N ATOM 281 H ARG A 21 47.532 -25.519 24.741 1.00 12.34 H ATOM 282 CA ARG A 21 47.854 -24.744 22.750 1.00 12.34 C ATOM 283 HA ARG A 21 48.588 -23.971 22.513 1.00 12.34 H ATOM 284 C ARG A 21 46.604 -24.452 21.931 1.00 12.34 C ATOM 285 O ARG A 21 46.686 -23.977 20.799 1.00 12.34 O ATOM 286 CB ARG A 21 48.457 -26.108 22.367 1.00 12.34 C ATOM 287 1HB ARG A 21 48.900 -26.010 21.375 1.00 12.34 H ATOM 288 2HB ARG A 21 49.258 -26.335 23.064 1.00 12.34 H ATOM 289 CG ARG A 21 47.486 -27.296 22.320 1.00 12.34 C ATOM 290 1HG ARG A 21 46.904 -27.342 23.237 1.00 12.34 H ATOM 291 2HG ARG A 21 46.808 -27.150 21.480 1.00 12.34 H ATOM 292 CD ARG A 21 48.204 -28.621 22.124 1.00 12.34 C ATOM 293 1HD ARG A 21 47.509 -29.324 21.661 1.00 12.34 H ATOM 294 2HD ARG A 21 49.052 -28.474 21.453 1.00 12.34 H ATOM 295 NE ARG A 21 48.656 -29.196 23.397 1.00 12.34 N ATOM 296 HE ARG A 21 48.353 -28.738 24.252 1.00 12.34 H ATOM 297 CZ ARG A 21 49.396 -30.284 23.555 1.00 12.34 C ATOM 298 NH1 ARG A 21 49.586 -30.720 24.759 1.00 12.34 N ATOM 299 1HH1 ARG A 21 49.170 -30.235 25.546 1.00 12.34 H ATOM 300 2HH1 ARG A 21 50.174 -31.537 24.914 1.00 12.34 H ATOM 301 NH2 ARG A 21 49.958 -30.944 22.579 1.00 12.34 N ATOM 302 1HH2 ARG A 21 49.842 -30.648 21.626 1.00 12.34 H ATOM 303 2HH2 ARG A 21 50.536 -31.749 22.809 1.00 12.34 H ATOM 304 N ALA A 22 45.451 -24.764 22.502 1.00 16.62 N ATOM 305 H ALA A 22 45.437 -25.108 23.452 1.00 16.62 H ATOM 306 CA ALA A 22 44.168 -24.651 21.826 1.00 16.62 C ATOM 307 HA ALA A 22 44.119 -23.720 21.262 1.00 16.62 H ATOM 308 C ALA A 22 43.102 -24.659 22.915 1.00 16.62 C ATOM 309 O ALA A 22 43.430 -24.867 24.091 1.00 16.62 O ATOM 310 CB ALA A 22 43.965 -25.853 20.876 1.00 16.62 C ATOM 311 1HB ALA A 22 44.777 -25.896 20.151 1.00 16.62 H ATOM 312 2HB ALA A 22 43.023 -25.744 20.336 1.00 16.62 H ATOM 313 3HB ALA A 22 43.939 -26.782 21.449 1.00 16.62 H ATOM 314 N GLY A 23 41.850 -24.516 22.512 1.00 7.21 N ATOM 315 H GLY A 23 41.644 -24.300 21.539 1.00 7.21 H ATOM 316 CA GLY A 23 40.720 -24.711 23.401 1.00 7.21 C ATOM 317 1HA GLY A 23 40.796 -25.683 23.887 1.00 7.21 H ATOM 318 2HA GLY A 23 40.702 -23.935 24.156 1.00 7.21 H ATOM 319 C GLY A 23 39.434 -24.653 22.608 1.00 7.21 C ATOM 320 O GLY A 23 39.494 -24.404 21.403 1.00 7.21 O ATOM 321 N TYR A 24 38.305 -24.877 23.261 1.00-21.89 N ATOM 322 H TYR A 24 38.328 -25.087 24.260 1.00-21.89 H ATOM 323 CA TYR A 24 36.987 -24.832 22.630 1.00-21.89 C ATOM 324 HA TYR A 24 36.997 -24.121 21.803 1.00-21.89 H ATOM 325 C TYR A 24 36.013 -24.342 23.697 1.00-21.89 C ATOM 326 O TYR A 24 36.322 -24.422 24.887 1.00-21.89 O ATOM 327 CB TYR A 24 36.587 -26.217 22.110 1.00-21.89 C ATOM 328 1HB TYR A 24 35.582 -26.158 21.692 1.00-21.89 H ATOM 329 2HB TYR A 24 37.273 -26.494 21.310 1.00-21.89 H ATOM 330 CG TYR A 24 36.614 -27.310 23.163 1.00-21.89 C ATOM 331 CD1 TYR A 24 35.458 -27.622 23.908 1.00-21.89 C ATOM 332 HD1 TYR A 24 34.542 -27.074 23.735 1.00-21.89 H ATOM 333 CD2 TYR A 24 37.789 -28.053 23.409 1.00-21.89 C ATOM 334 HD2 TYR A 24 38.687 -27.832 22.850 1.00-21.89 H ATOM 335 CE1 TYR A 24 35.471 -28.658 24.878 1.00-21.89 C ATOM 336 HE1 TYR A 24 34.579 -28.887 25.440 1.00-21.89 H ATOM 337 CE2 TYR A 24 37.807 -29.089 24.382 1.00-21.89 C ATOM 338 HE2 TYR A 24 38.713 -29.647 24.562 1.00-21.89 H ATOM 339 CZ TYR A 24 36.643 -29.385 25.098 1.00-21.89 C ATOM 340 OH TYR A 24 36.646 -30.396 26.025 1.00-21.89 O ATOM 341 HH TYR A 24 37.487 -30.852 26.066 1.00-21.89 H ATOM 342 N CYS A 25 34.880 -23.788 23.292 1.00-16.85 N ATOM 343 H CYS A 25 34.669 -23.752 22.297 1.00-16.85 H ATOM 344 CA CYS A 25 33.934 -23.208 24.243 1.00-16.85 C ATOM 345 HA CYS A 25 34.481 -22.533 24.899 1.00-16.85 H ATOM 346 C CYS A 25 33.256 -24.250 25.123 1.00-16.85 C ATOM 347 O CYS A 25 33.062 -25.400 24.742 1.00-16.85 O ATOM 348 CB CYS A 25 32.838 -22.405 23.531 1.00-16.85 C ATOM 349 1HB CYS A 25 32.359 -23.049 22.794 1.00-16.85 H ATOM 350 2HB CYS A 25 32.089 -22.129 24.274 1.00-16.85 H ATOM 351 SG CYS A 25 33.402 -20.872 22.722 1.00-16.85 S ATOM 352 N ASP A 26 32.853 -23.785 26.292 1.00 0.97 N ATOM 353 H ASP A 26 33.028 -22.806 26.516 1.00 0.97 H ATOM 354 CA ASP A 26 32.156 -24.562 27.305 1.00 0.97 C ATOM 355 HA ASP A 26 31.772 -25.497 26.897 1.00 0.97 H ATOM 356 C ASP A 26 31.000 -23.693 27.796 1.00 0.97 C ATOM 357 O ASP A 26 31.051 -22.472 27.630 1.00 0.97 O ATOM 358 CB ASP A 26 33.106 -24.848 28.465 1.00 0.97 C ATOM 359 1HB ASP A 26 33.939 -25.451 28.106 1.00 0.97 H ATOM 360 2HB ASP A 26 33.497 -23.902 28.834 1.00 0.97 H ATOM 361 CG ASP A 26 32.413 -25.557 29.600 1.00 0.97 C ATOM 362 OD1 ASP A 26 31.591 -26.454 29.335 1.00 0.97 O ATOM 363 OD2 ASP A 26 32.621 -25.166 30.769 1.00 0.97 O ATOM 364 N ALA A 27 29.974 -24.299 28.377 1.00 4.55 N ATOM 365 H ALA A 27 30.034 -25.307 28.524 1.00 4.55 H ATOM 366 CA ALA A 27 28.787 -23.593 28.854 1.00 4.55 C ATOM 367 HA ALA A 27 29.083 -22.588 29.158 1.00 4.55 H ATOM 368 C ALA A 27 28.154 -24.285 30.074 1.00 4.55 C ATOM 369 O ALA A 27 26.925 -24.417 30.139 1.00 4.55 O ATOM 370 CB ALA A 27 27.765 -23.483 27.705 1.00 4.55 C ATOM 371 1HB ALA A 27 28.237 -23.026 26.837 1.00 4.55 H ATOM 372 2HB ALA A 27 26.923 -22.867 28.020 1.00 4.55 H ATOM 373 3HB ALA A 27 27.404 -24.476 27.437 1.00 4.55 H ATOM 374 N VAL A 28 28.954 -24.758 31.022 1.00 5.15 N ATOM 375 H VAL A 28 29.960 -24.653 30.940 1.00 5.15 H ATOM 376 CA VAL A 28 28.397 -25.390 32.226 1.00 5.15 C ATOM 377 HA VAL A 28 27.766 -26.222 31.919 1.00 5.15 H ATOM 378 C VAL A 28 27.523 -24.355 32.929 1.00 5.15 C ATOM 379 O VAL A 28 27.950 -23.233 33.181 1.00 5.15 O ATOM 380 CB VAL A 28 29.499 -25.915 33.199 1.00 5.15 C ATOM 381 HB VAL A 28 30.184 -25.098 33.424 1.00 5.15 H ATOM 382 CG1 VAL A 28 28.901 -26.424 34.527 1.00 5.15 C ATOM 383 1HG1 VAL A 28 29.697 -26.828 35.155 1.00 5.15 H ATOM 384 2HG1 VAL A 28 28.164 -27.206 34.340 1.00 5.15 H ATOM 385 3HG1 VAL A 28 28.437 -25.599 35.070 1.00 5.15 H ATOM 386 CG2 VAL A 28 30.286 -27.058 32.555 1.00 5.15 C ATOM 387 1HG2 VAL A 28 31.071 -27.396 33.231 1.00 5.15 H ATOM 388 2HG2 VAL A 28 30.759 -26.713 31.640 1.00 5.15 H ATOM 389 3HG2 VAL A 28 29.628 -27.893 32.316 1.00 5.15 H ATOM 390 N THR A 29 26.273 -24.727 33.192 1.00 35.61 N ATOM 391 H THR A 29 25.999 -25.668 32.965 1.00 35.61 H ATOM 392 CA THR A 29 25.251 -23.837 33.767 1.00 35.61 C ATOM 393 HA THR A 29 24.287 -24.319 33.615 1.00 35.61 H ATOM 394 C THR A 29 25.133 -22.479 33.059 1.00 35.61 C ATOM 395 O THR A 29 24.799 -21.476 33.677 1.00 35.61 O ATOM 396 CB THR A 29 25.418 -23.676 35.309 1.00 35.61 C ATOM 397 HB THR A 29 24.738 -22.910 35.680 1.00 35.61 H ATOM 398 OG1 THR A 29 26.767 -23.340 35.645 1.00 35.61 O ATOM 399 HG1 THR A 29 27.245 -23.135 34.826 1.00 35.61 H ATOM 400 CG2 THR A 29 25.125 -24.984 36.030 1.00 35.61 C ATOM 401 1HG2 THR A 29 25.223 -24.821 37.104 1.00 35.61 H ATOM 402 2HG2 THR A 29 25.836 -25.750 35.725 1.00 35.61 H ATOM 403 3HG2 THR A 29 24.107 -25.310 35.814 1.00 35.61 H ATOM 404 N LEU A 30 25.406 -22.487 31.756 1.00-14.11 N ATOM 405 H LEU A 30 25.697 -23.366 31.335 1.00-14.11 H ATOM 406 CA LEU A 30 25.381 -21.325 30.856 1.00-14.11 C ATOM 407 HA LEU A 30 25.696 -21.696 29.882 1.00-14.11 H ATOM 408 C LEU A 30 26.386 -20.229 31.212 1.00-14.11 C ATOM 409 O LEU A 30 26.337 -19.117 30.682 1.00-14.11 O ATOM 410 CB LEU A 30 23.965 -20.753 30.681 1.00-14.11 C ATOM 411 1HB LEU A 30 23.657 -20.318 31.631 1.00-14.11 H ATOM 412 2HB LEU A 30 24.017 -19.943 29.954 1.00-14.11 H ATOM 413 CG LEU A 30 22.861 -21.719 30.218 1.00-14.11 C ATOM 414 HG LEU A 30 22.796 -22.545 30.926 1.00-14.11 H ATOM 415 CD1 LEU A 30 21.516 -20.996 30.213 1.00-14.11 C ATOM 416 1HD1 LEU A 30 20.725 -21.689 29.929 1.00-14.11 H ATOM 417 2HD1 LEU A 30 21.538 -20.162 29.510 1.00-14.11 H ATOM 418 3HD1 LEU A 30 21.302 -20.614 31.213 1.00-14.11 H ATOM 419 CD2 LEU A 30 23.133 -22.300 28.824 1.00-14.11 C ATOM 420 1HD2 LEU A 30 22.302 -22.938 28.523 1.00-14.11 H ATOM 421 2HD2 LEU A 30 24.040 -22.905 28.844 1.00-14.11 H ATOM 422 3HD2 LEU A 30 23.250 -21.494 28.098 1.00-14.11 H ATOM 423 N TRP A 31 27.370 -20.571 32.028 1.00 -0.83 N ATOM 424 H TRP A 31 27.365 -21.480 32.477 1.00 -0.83 H ATOM 425 CA TRP A 31 28.528 -19.714 32.231 1.00 -0.83 C ATOM 426 HA TRP A 31 28.231 -18.667 32.197 1.00 -0.83 H ATOM 427 C TRP A 31 29.451 -20.019 31.064 1.00 -0.83 C ATOM 428 O TRP A 31 30.246 -20.953 31.110 1.00 -0.83 O ATOM 429 CB TRP A 31 29.202 -19.999 33.572 1.00 -0.83 C ATOM 430 1HB TRP A 31 29.363 -21.070 33.680 1.00 -0.83 H ATOM 431 2HB TRP A 31 30.169 -19.496 33.596 1.00 -0.83 H ATOM 432 CG TRP A 31 28.372 -19.499 34.715 1.00 -0.83 C ATOM 433 CD1 TRP A 31 27.398 -20.172 35.380 1.00 -0.83 C ATOM 434 HD1 TRP A 31 27.106 -21.188 35.157 1.00 -0.83 H ATOM 435 CD2 TRP A 31 28.412 -18.192 35.317 1.00 -0.83 C ATOM 436 NE1 TRP A 31 26.822 -19.399 36.349 1.00 -0.83 N ATOM 437 HE1 TRP A 31 26.071 -19.707 36.947 1.00 -0.83 H ATOM 438 CE2 TRP A 31 27.421 -18.169 36.341 1.00 -0.83 C ATOM 439 CE3 TRP A 31 29.176 -17.029 35.086 1.00 -0.83 C ATOM 440 HE3 TRP A 31 29.927 -17.016 34.312 1.00 -0.83 H ATOM 441 CZ2 TRP A 31 27.180 -17.027 37.133 1.00 -0.83 C ATOM 442 HZ2 TRP A 31 26.416 -17.035 37.895 1.00 -0.83 H ATOM 443 CZ3 TRP A 31 28.941 -15.877 35.884 1.00 -0.83 C ATOM 444 HZ3 TRP A 31 29.523 -14.982 35.723 1.00 -0.83 H ATOM 445 CH2 TRP A 31 27.939 -15.893 36.899 1.00 -0.83 C ATOM 446 HH2 TRP A 31 27.767 -15.006 37.492 1.00 -0.83 H ATOM 447 N LEU A 32 29.285 -19.262 29.989 1.00 30.62 N ATOM 448 H LEU A 32 28.560 -18.558 30.003 1.00 30.62 H ATOM 449 CA LEU A 32 30.093 -19.447 28.786 1.00 30.62 C ATOM 450 HA LEU A 32 29.996 -20.480 28.462 1.00 30.62 H ATOM 451 C LEU A 32 31.554 -19.209 29.155 1.00 30.62 C ATOM 452 O LEU A 32 31.903 -18.201 29.785 1.00 30.62 O ATOM 453 CB LEU A 32 29.643 -18.514 27.652 1.00 30.62 C ATOM 454 1HB LEU A 32 29.343 -17.569 28.104 1.00 30.62 H ATOM 455 2HB LEU A 32 30.519 -18.311 27.038 1.00 30.62 H ATOM 456 CG LEU A 32 28.521 -18.965 26.696 1.00 30.62 C ATOM 457 HG LEU A 32 28.293 -18.121 26.048 1.00 30.62 H ATOM 458 CD1 LEU A 32 28.973 -20.111 25.795 1.00 30.62 C ATOM 459 1HD1 LEU A 32 28.164 -20.395 25.121 1.00 30.62 H ATOM 460 2HD1 LEU A 32 29.255 -20.980 26.392 1.00 30.62 H ATOM 461 3HD1 LEU A 32 29.824 -19.801 25.198 1.00 30.62 H ATOM 462 CD2 LEU A 32 27.222 -19.358 27.392 1.00 30.62 C ATOM 463 1HD2 LEU A 32 26.451 -19.567 26.650 1.00 30.62 H ATOM 464 2HD2 LEU A 32 26.876 -18.540 28.027 1.00 30.62 H ATOM 465 3HD2 LEU A 32 27.370 -20.245 28.010 1.00 30.62 H ATOM 466 N ARG A 33 32.386 -20.174 28.807 1.00 -2.34 N ATOM 467 H ARG A 33 32.044 -20.926 28.199 1.00 -2.34 H ATOM 468 CA ARG A 33 33.742 -20.316 29.330 1.00 -2.34 C ATOM 469 HA ARG A 33 34.186 -19.346 29.530 1.00 -2.34 H ATOM 470 C ARG A 33 34.466 -21.040 28.206 1.00 -2.34 C ATOM 471 O ARG A 33 33.845 -21.297 27.185 1.00 -2.34 O ATOM 472 CB ARG A 33 33.636 -21.176 30.601 1.00 -2.34 C ATOM 473 1HB ARG A 33 32.798 -20.796 31.183 1.00 -2.34 H ATOM 474 2HB ARG A 33 33.382 -22.188 30.292 1.00 -2.34 H ATOM 475 CG ARG A 33 34.835 -21.223 31.551 1.00 -2.34 C ATOM 476 1HG ARG A 33 35.733 -21.518 31.014 1.00 -2.34 H ATOM 477 2HG ARG A 33 34.983 -20.233 31.980 1.00 -2.34 H ATOM 478 CD ARG A 33 34.583 -22.225 32.675 1.00 -2.34 C ATOM 479 1HD ARG A 33 35.363 -22.130 33.429 1.00 -2.34 H ATOM 480 2HD ARG A 33 33.621 -21.995 33.139 1.00 -2.34 H ATOM 481 NE ARG A 33 34.552 -23.605 32.164 1.00 -2.34 N ATOM 482 HE ARG A 33 33.648 -23.960 31.837 1.00 -2.34 H ATOM 483 CZ ARG A 33 35.571 -24.443 32.045 1.00 -2.34 C ATOM 484 NH1 ARG A 33 35.343 -25.596 31.493 1.00 -2.34 N ATOM 485 1HH1 ARG A 33 34.390 -25.805 31.194 1.00 -2.34 H ATOM 486 2HH1 ARG A 33 36.080 -26.254 31.321 1.00 -2.34 H ATOM 487 NH2 ARG A 33 36.786 -24.187 32.461 1.00 -2.34 N ATOM 488 1HH2 ARG A 33 36.984 -23.300 32.885 1.00 -2.34 H ATOM 489 2HH2 ARG A 33 37.513 -24.864 32.321 1.00 -2.34 H ATOM 490 N CYS A 34 35.713 -21.430 28.404 1.00 23.11 N ATOM 491 H CYS A 34 36.198 -21.168 29.244 1.00 23.11 H ATOM 492 CA CYS A 34 36.394 -22.354 27.506 1.00 23.11 C ATOM 493 HA CYS A 34 35.726 -22.702 26.720 1.00 23.11 H ATOM 494 C CYS A 34 36.878 -23.545 28.306 1.00 23.11 C ATOM 495 O CYS A 34 37.193 -23.414 29.491 1.00 23.11 O ATOM 496 CB CYS A 34 37.626 -21.707 26.881 1.00 23.11 C ATOM 497 1HB CYS A 34 38.237 -21.270 27.670 1.00 23.11 H ATOM 498 2HB CYS A 34 38.211 -22.486 26.390 1.00 23.11 H ATOM 499 SG CYS A 34 37.248 -20.443 25.641 1.00 23.11 S ATOM 500 N THR A 35 37.055 -24.658 27.618 1.00 -7.19 N ATOM 501 H THR A 35 36.716 -24.707 26.653 1.00 -7.19 H ATOM 502 CA THR A 35 37.854 -25.770 28.106 1.00 -7.19 C ATOM 503 HA THR A 35 38.130 -25.612 29.146 1.00 -7.19 H ATOM 504 C THR A 35 39.093 -25.697 27.228 1.00 -7.19 C ATOM 505 O THR A 35 39.013 -25.782 26.005 1.00 -7.19 O ATOM 506 CB THR A 35 37.122 -27.115 27.962 1.00 -7.19 C ATOM 507 HB THR A 35 36.869 -27.278 26.915 1.00 -7.19 H ATOM 508 OG1 THR A 35 35.927 -27.078 28.746 1.00 -7.19 O ATOM 509 HG1 THR A 35 35.225 -27.493 28.231 1.00 -7.19 H ATOM 510 CG2 THR A 35 37.955 -28.275 28.478 1.00 -7.19 C ATOM 511 1HG2 THR A 35 37.366 -29.190 28.413 1.00 -7.19 H ATOM 512 2HG2 THR A 35 38.235 -28.106 29.517 1.00 -7.19 H ATOM 513 3HG2 THR A 35 38.852 -28.392 27.867 1.00 -7.19 H ATOM 514 N CYS A 36 40.234 -25.450 27.852 1.00-24.48 N ATOM 515 H CYS A 36 40.259 -25.415 28.857 1.00-24.48 H ATOM 516 CA CYS A 36 41.480 -25.237 27.129 1.00-24.48 C ATOM 517 HA CYS A 36 41.279 -25.059 26.077 1.00-24.48 H ATOM 518 C CYS A 36 42.358 -26.475 27.274 1.00-24.48 C ATOM 519 O CYS A 36 42.217 -27.212 28.248 1.00-24.48 O ATOM 520 CB CYS A 36 42.201 -24.022 27.712 1.00-24.48 C ATOM 521 1HB CYS A 36 42.485 -24.255 28.739 1.00-24.48 H ATOM 522 2HB CYS A 36 43.111 -23.864 27.143 1.00-24.48 H ATOM 523 SG CYS A 36 41.261 -22.459 27.726 1.00-24.48 S ATOM 524 N THR A 37 43.275 -26.693 26.343 1.00 7.54 N ATOM 525 H THR A 37 43.344 -26.060 25.546 1.00 7.54 H ATOM 526 CA THR A 37 44.198 -27.829 26.402 1.00 7.54 C ATOM 527 HA THR A 37 43.980 -28.437 27.279 1.00 7.54 H ATOM 528 C THR A 37 45.625 -27.302 26.519 1.00 7.54 C ATOM 529 O THR A 37 46.107 -26.619 25.612 1.00 7.54 O ATOM 530 CB THR A 37 44.067 -28.712 25.138 1.00 7.54 C ATOM 531 HB THR A 37 44.812 -29.507 25.173 1.00 7.54 H ATOM 532 OG1 THR A 37 44.269 -27.908 23.973 1.00 7.54 O ATOM 533 HG1 THR A 37 45.011 -27.321 24.161 1.00 7.54 H ATOM 534 CG2 THR A 37 42.678 -29.320 25.018 1.00 7.54 C ATOM 535 1HG2 THR A 37 42.653 -29.985 24.155 1.00 7.54 H ATOM 536 2HG2 THR A 37 41.933 -28.535 24.876 1.00 7.54 H ATOM 537 3HG2 THR A 37 42.439 -29.890 25.917 1.00 7.54 H ATOM 538 N GLY A 38 46.289 -27.578 27.634 1.00 2.52 N ATOM 539 H GLY A 38 45.872 -28.170 28.335 1.00 2.52 H ATOM 540 CA GLY A 38 47.612 -27.021 27.893 1.00 2.52 C ATOM 541 1HA GLY A 38 47.531 -25.938 27.934 1.00 2.52 H ATOM 542 2HA GLY A 38 47.960 -27.366 28.867 1.00 2.52 H ATOM 543 C GLY A 38 48.657 -27.384 26.854 1.00 2.52 C ATOM 544 O GLY A 38 48.558 -28.434 26.216 1.00 2.52 O ATOM 545 N CYS A 39 49.644 -26.526 26.636 1.00 -9.31 N ATOM 546 H CYS A 39 49.713 -25.663 27.166 1.00 -9.31 H ATOM 547 CA CYS A 39 50.690 -26.816 25.660 1.00 -9.31 C ATOM 548 HA CYS A 39 50.263 -27.331 24.803 1.00 -9.31 H ATOM 549 C CYS A 39 51.740 -27.709 26.319 1.00 -9.31 C ATOM 550 O CYS A 39 52.153 -27.445 27.443 1.00 -9.31 O ATOM 551 CB CYS A 39 51.344 -25.519 25.180 1.00 -9.31 C ATOM 552 1HB CYS A 39 50.563 -24.815 24.891 1.00 -9.31 H ATOM 553 2HB CYS A 39 51.909 -25.082 26.007 1.00 -9.31 H ATOM 554 SG CYS A 39 52.446 -25.763 23.765 1.00 -9.31 S ATOM 555 HG CYS A 39 52.880 -24.497 23.693 1.00 -9.31 H ATOM 556 N SER A 40 52.178 -28.752 25.629 1.00 9.50 N ATOM 557 H SER A 40 51.811 -28.959 24.709 1.00 9.50 H ATOM 558 CA SER A 40 53.243 -29.625 26.105 1.00 9.50 C ATOM 559 HA SER A 40 54.045 -29.040 26.557 1.00 9.50 H ATOM 560 C SER A 40 53.713 -30.311 24.829 1.00 9.50 C ATOM 561 O SER A 40 52.993 -30.264 23.829 1.00 9.50 O ATOM 562 CB SER A 40 52.707 -30.660 27.099 1.00 9.50 C ATOM 563 1HB SER A 40 53.538 -31.230 27.514 1.00 9.50 H ATOM 564 2HB SER A 40 52.180 -30.151 27.906 1.00 9.50 H ATOM 565 OG SER A 40 51.828 -31.542 26.429 1.00 9.50 O ATOM 566 HG SER A 40 51.179 -31.931 27.044 1.00 9.50 H ATOM 567 N GLY A 41 54.860 -30.978 24.855 1.00 -7.84 N ATOM 568 H GLY A 41 55.419 -30.979 25.693 1.00 -7.84 H ATOM 569 CA GLY A 41 55.346 -31.730 23.702 1.00 -7.84 C ATOM 570 1HA GLY A 41 55.061 -31.213 22.785 1.00 -7.84 H ATOM 571 2HA GLY A 41 56.434 -31.776 23.745 1.00 -7.84 H ATOM 572 C GLY A 41 54.816 -33.152 23.644 1.00 -7.84 C ATOM 573 O GLY A 41 55.504 -34.069 23.216 1.00 -7.84 O ATOM 574 N LYS A 42 53.611 -33.344 24.158 1.00 -4.57 N ATOM 575 H LYS A 42 53.065 -32.533 24.438 1.00 -4.57 H ATOM 576 CA LYS A 42 52.968 -34.649 24.324 1.00 -4.57 C ATOM 577 HA LYS A 42 53.158 -35.293 23.464 1.00 -4.57 H ATOM 578 C LYS A 42 51.495 -34.265 24.388 1.00 -4.57 C ATOM 579 O LYS A 42 51.180 -33.109 24.108 1.00 -4.57 O ATOM 580 CB LYS A 42 53.448 -35.333 25.618 1.00 -4.57 C ATOM 581 1HB LYS A 42 52.890 -36.260 25.743 1.00 -4.57 H ATOM 582 2HB LYS A 42 54.502 -35.592 25.508 1.00 -4.57 H ATOM 583 CG LYS A 42 53.295 -34.488 26.885 1.00 -4.57 C ATOM 584 1HG LYS A 42 54.008 -33.663 26.868 1.00 -4.57 H ATOM 585 2HG LYS A 42 52.297 -34.076 26.902 1.00 -4.57 H ATOM 586 CD LYS A 42 53.494 -35.309 28.151 1.00 -4.57 C ATOM 587 1HD LYS A 42 52.877 -36.206 28.094 1.00 -4.57 H ATOM 588 2HD LYS A 42 54.542 -35.605 28.221 1.00 -4.57 H ATOM 589 CE LYS A 42 53.098 -34.523 29.407 1.00 -4.57 C ATOM 590 1HE LYS A 42 53.398 -35.100 30.283 1.00 -4.57 H ATOM 591 2HE LYS A 42 53.634 -33.572 29.418 1.00 -4.57 H ATOM 592 NZ LYS A 42 51.612 -34.265 29.484 1.00 -4.57 N ATOM 593 1HZ LYS A 42 51.361 -33.833 30.359 1.00 -4.57 H ATOM 594 2HZ LYS A 42 51.099 -35.134 29.370 1.00 -4.57 H ATOM 595 3HZ LYS A 42 51.307 -33.675 28.715 1.00 -4.57 H ATOM 596 N LYS A 43 50.609 -35.151 24.819 1.00-16.87 N ATOM 597 H LYS A 43 50.873 -36.113 24.945 1.00-16.87 H ATOM 598 CA LYS A 43 49.342 -34.705 25.408 1.00-16.87 C ATOM 599 HA LYS A 43 49.004 -33.774 24.956 1.00-16.87 H ATOM 600 C LYS A 43 49.714 -34.448 26.859 1.00-16.87 C ATOM 601 O LYS A 43 49.852 -33.284 27.290 1.00-16.87 O ATOM 602 OXT LYS A 43 50.025 -35.456 27.518 1.00-16.87 O ATOM 603 CB LYS A 43 48.253 -35.778 25.320 1.00-16.87 C ATOM 604 1HB LYS A 43 48.635 -36.705 25.747 1.00-16.87 H ATOM 605 2HB LYS A 43 47.405 -35.448 25.923 1.00-16.87 H ATOM 606 CG LYS A 43 47.762 -36.055 23.908 1.00-16.87 C ATOM 607 1HG LYS A 43 47.397 -35.128 23.466 1.00-16.87 H ATOM 608 2HG LYS A 43 48.583 -36.443 23.306 1.00-16.87 H ATOM 609 CD LYS A 43 46.633 -37.077 23.940 1.00-16.87 C ATOM 610 1HD LYS A 43 46.994 -37.988 24.420 1.00-16.87 H ATOM 611 2HD LYS A 43 45.806 -36.672 24.524 1.00-16.87 H ATOM 612 CE LYS A 43 46.143 -37.408 22.534 1.00-16.87 C ATOM 613 1HE LYS A 43 45.812 -36.487 22.049 1.00-16.87 H ATOM 614 2HE LYS A 43 46.972 -37.827 21.959 1.00-16.87 H ATOM 615 NZ LYS A 43 45.007 -38.393 22.572 1.00-16.87 N ATOM 616 1HZ LYS A 43 44.697 -38.599 21.632 1.00-16.87 H ATOM 617 2HZ LYS A 43 44.235 -38.005 23.098 1.00-16.87 H ATOM 618 3HZ LYS A 43 45.310 -39.250 23.016 1.00-16.87 H TER 619 LYS A 43 CONECT 46 43 351 CONECT 142 139 499 CONECT 207 204 523 CONECT 351 46 348 CONECT 499 142 496 CONECT 523 207 520 END
SEQUENCE	GFGCPGDQYECNRHCRSIGCRAGYCDAVTLWLRCTCTGCSGKK
HELICITY	16.30	INSTAB. INDEX	60.26	FLEXIBILITY	16.61
a HYD. MOM.	23.42	b HYD. MOM.	9.98	c HYD. MOM	0.94
a MEAN HYD. MOM.	0.54	b MEAN HYD. MOM.	0.23	c MEAN HYD. MOM.	0.02
CHARGE pH5	4.19	CHARGE pH7	2.73	CHARGE pH9	-4.00
Δ CHARGE pH5-pH9	8.20	ISOELECTRIC POINT	8.51	BOMAN INDEX	1.91
ΔG	29	CPP	-0,36	MLP	-10,42
MOLECULAR VOLUME		POLARITY
MIC E. coli	20	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	0,12	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+	M. lysodeikticus CIP5345= 0.01; B. megaterium CIP 6620= 0.03; S. aureus CIP 103428= 0.25; M. maritypicum CIP 105733T= 1; B. stationis CIP 101282= 0.1; S. haemolyticus= 2
MIC OTHER gram-
PHYLUM	Mollusca	CLASS	Bivalvia	ORDER	Ostreoida
FAMILY	Ostreidae	GENUS	Crassostrea	SPECIES	Crassostrea gigas
DATE	2012
TITLE PAPER	Expression, tissue localization and synergy of antimicrobial peptides and proteins in the immune response of the oyster Crassostrea gigas