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ID	2263	NAME	Defensin MGD-1   Blast NCBI-PROT
LENGTH	38	DISULFIDE BRIDGE	4		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\GFGCPNNYQCHRHCKSIPGRCGGYCGGWHRLRCTCYRC.pdb REMARK YASARA Written on: Wed May 14 17:26:49 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 568 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 38 GLY PHE GLY CYS PRO ASN ASN TYR GLN CYS HIS ARG HIS SEQRES 2 A 38 CYS LYS SER ILE PRO GLY ARG CYS GLY GLY TYR CYS GLY SEQRES 3 A 38 GLY TRP HIS ARG LEU ARG CYS THR CYS TYR ARG CYS 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 10 CYS A 33 2.03 SSBOND 5 CYS A 14 CYS A 35 2.03 SSBOND 7 CYS A 21 CYS A 38 2.03 ATOM 1 N GLY A 1 24.935 -0.268 39.266 1.00-17.42 N ATOM 2 1H GLY A 1 24.340 -0.093 40.063 1.00-17.42 H ATOM 3 2H GLY A 1 25.240 -1.232 39.280 1.00-17.42 H ATOM 4 3H GLY A 1 24.420 -0.100 38.414 1.00-17.42 H ATOM 5 CA GLY A 1 26.120 0.625 39.315 1.00-17.42 C ATOM 6 1HA GLY A 1 25.789 1.663 39.308 1.00-17.42 H ATOM 7 2HA GLY A 1 26.682 0.425 40.226 1.00-17.42 H ATOM 8 C GLY A 1 27.006 0.377 38.126 1.00-17.42 C ATOM 9 O GLY A 1 26.566 -0.383 37.286 1.00-17.42 O ATOM 10 N PHE A 2 28.191 0.976 38.030 1.00 20.12 N ATOM 11 H PHE A 2 28.471 1.639 38.739 1.00 20.12 H ATOM 12 CA PHE A 2 29.187 0.691 36.975 1.00 20.12 C ATOM 13 HA PHE A 2 30.033 1.358 37.150 1.00 20.12 H ATOM 14 C PHE A 2 28.779 0.866 35.504 1.00 20.12 C ATOM 15 O PHE A 2 29.468 0.406 34.602 1.00 20.12 O ATOM 16 CB PHE A 2 29.713 -0.743 37.120 1.00 20.12 C ATOM 17 1HB PHE A 2 28.984 -1.428 36.689 1.00 20.12 H ATOM 18 2HB PHE A 2 30.639 -0.835 36.553 1.00 20.12 H ATOM 19 CG PHE A 2 29.974 -1.165 38.541 1.00 20.12 C ATOM 20 CD1 PHE A 2 29.034 -1.953 39.236 1.00 20.12 C ATOM 21 HD1 PHE A 2 28.120 -2.258 38.744 1.00 20.12 H ATOM 22 CD2 PHE A 2 31.168 -0.799 39.182 1.00 20.12 C ATOM 23 HD2 PHE A 2 31.904 -0.207 38.656 1.00 20.12 H ATOM 24 CE1 PHE A 2 29.270 -2.348 40.577 1.00 20.12 C ATOM 25 HE1 PHE A 2 28.535 -2.927 41.115 1.00 20.12 H ATOM 26 CE2 PHE A 2 31.430 -1.206 40.512 1.00 20.12 C ATOM 27 HE2 PHE A 2 32.359 -0.927 40.990 1.00 20.12 H ATOM 28 CZ PHE A 2 30.475 -1.977 41.213 1.00 20.12 C ATOM 29 HZ PHE A 2 30.670 -2.282 42.232 1.00 20.12 H ATOM 30 N GLY A 3 27.624 1.465 35.251 1.00 -8.79 N ATOM 31 H GLY A 3 27.084 1.856 36.001 1.00 -8.79 H ATOM 32 CA GLY A 3 27.074 1.495 33.905 1.00 -8.79 C ATOM 33 1HA GLY A 3 26.302 2.263 33.857 1.00 -8.79 H ATOM 34 2HA GLY A 3 27.858 1.747 33.193 1.00 -8.79 H ATOM 35 C GLY A 3 26.457 0.168 33.496 1.00 -8.79 C ATOM 36 O GLY A 3 26.054 -0.007 32.350 1.00 -8.79 O ATOM 37 N CYS A 4 26.351 -0.771 34.424 1.00 11.99 N ATOM 38 H CYS A 4 26.666 -0.594 35.367 1.00 11.99 H ATOM 39 CA CYS A 4 25.732 -2.059 34.140 1.00 11.99 C ATOM 40 HA CYS A 4 26.190 -2.485 33.253 1.00 11.99 H ATOM 41 C CYS A 4 24.245 -1.825 33.877 1.00 11.99 C ATOM 42 O CYS A 4 23.675 -0.876 34.422 1.00 11.99 O ATOM 43 CB CYS A 4 25.915 -3.026 35.306 1.00 11.99 C ATOM 44 1HB CYS A 4 25.736 -2.508 36.246 1.00 11.99 H ATOM 45 2HB CYS A 4 25.174 -3.815 35.204 1.00 11.99 H ATOM 46 SG CYS A 4 27.549 -3.816 35.319 1.00 11.99 S ATOM 47 N PRO A 5 23.604 -2.668 33.042 1.00 20.23 N ATOM 48 CA PRO A 5 24.037 -3.887 32.336 1.00 20.23 C ATOM 49 HA PRO A 5 24.550 -4.546 33.035 1.00 20.23 H ATOM 50 C PRO A 5 24.933 -3.732 31.095 1.00 20.23 C ATOM 51 O PRO A 5 25.203 -4.713 30.401 1.00 20.23 O ATOM 52 CB PRO A 5 22.699 -4.530 31.961 1.00 20.23 C ATOM 53 1HB PRO A 5 22.794 -5.173 31.087 1.00 20.23 H ATOM 54 2HB PRO A 5 22.301 -5.095 32.804 1.00 20.23 H ATOM 55 CG PRO A 5 21.835 -3.372 31.677 1.00 20.23 C ATOM 56 1HG PRO A 5 22.073 -2.959 30.696 1.00 20.23 H ATOM 57 2HG PRO A 5 20.782 -3.652 31.728 1.00 20.23 H ATOM 58 CD PRO A 5 22.181 -2.391 32.769 1.00 20.23 C ATOM 59 1HD PRO A 5 22.036 -1.366 32.423 1.00 20.23 H ATOM 60 2HD PRO A 5 21.581 -2.586 33.660 1.00 20.23 H ATOM 61 N ASN A 6 25.446 -2.544 30.801 1.00 -9.11 N ATOM 62 H ASN A 6 25.250 -1.731 31.376 1.00 -9.11 H ATOM 63 CA ASN A 6 26.395 -2.402 29.698 1.00 -9.11 C ATOM 64 HA ASN A 6 26.033 -2.976 28.846 1.00 -9.11 H ATOM 65 C ASN A 6 27.756 -2.974 30.118 1.00 -9.11 C ATOM 66 O ASN A 6 28.480 -2.400 30.934 1.00 -9.11 O ATOM 67 CB ASN A 6 26.521 -0.933 29.279 1.00 -9.11 C ATOM 68 1HB ASN A 6 25.526 -0.531 29.100 1.00 -9.11 H ATOM 69 2HB ASN A 6 26.986 -0.369 30.083 1.00 -9.11 H ATOM 70 CG ASN A 6 27.355 -0.753 28.041 1.00 -9.11 C ATOM 71 OD1 ASN A 6 28.490 -1.197 27.970 1.00 -9.11 O ATOM 72 ND2 ASN A 6 26.811 -0.097 27.056 1.00 -9.11 N ATOM 73 1HD2 ASN A 6 27.339 0.029 26.209 1.00 -9.11 H ATOM 74 2HD2 ASN A 6 25.877 0.267 27.144 1.00 -9.11 H ATOM 75 N ASN A 7 28.114 -4.114 29.544 1.00 -1.73 N ATOM 76 H ASN A 7 27.488 -4.544 28.881 1.00 -1.73 H ATOM 77 CA ASN A 7 29.350 -4.801 29.916 1.00 -1.73 C ATOM 78 HA ASN A 7 29.366 -4.889 31.003 1.00 -1.73 H ATOM 79 C ASN A 7 30.632 -4.073 29.522 1.00 -1.73 C ATOM 80 O ASN A 7 31.652 -4.294 30.153 1.00 -1.73 O ATOM 81 CB ASN A 7 29.390 -6.212 29.323 1.00 -1.73 C ATOM 82 1HB ASN A 7 29.197 -6.161 28.253 1.00 -1.73 H ATOM 83 2HB ASN A 7 30.387 -6.627 29.476 1.00 -1.73 H ATOM 84 CG ASN A 7 28.403 -7.141 29.975 1.00 -1.73 C ATOM 85 OD1 ASN A 7 28.406 -7.324 31.181 1.00 -1.73 O ATOM 86 ND2 ASN A 7 27.546 -7.733 29.191 1.00 -1.73 N ATOM 87 1HD2 ASN A 7 26.850 -8.326 29.608 1.00 -1.73 H ATOM 88 2HD2 ASN A 7 27.583 -7.597 28.197 1.00 -1.73 H ATOM 89 N TYR A 8 30.615 -3.182 28.539 1.00 -7.31 N ATOM 90 H TYR A 8 29.763 -2.978 28.036 1.00 -7.31 H ATOM 91 CA TYR A 8 31.827 -2.418 28.233 1.00 -7.31 C ATOM 92 HA TYR A 8 32.688 -3.086 28.179 1.00 -7.31 H ATOM 93 C TYR A 8 32.069 -1.436 29.369 1.00 -7.31 C ATOM 94 O TYR A 8 33.194 -1.269 29.835 1.00 -7.31 O ATOM 95 CB TYR A 8 31.722 -1.632 26.921 1.00 -7.31 C ATOM 96 1HB TYR A 8 31.815 -2.317 26.078 1.00 -7.31 H ATOM 97 2HB TYR A 8 30.752 -1.144 26.870 1.00 -7.31 H ATOM 98 CG TYR A 8 32.788 -0.558 26.842 1.00 -7.31 C ATOM 99 CD1 TYR A 8 34.131 -0.887 26.565 1.00 -7.31 C ATOM 100 HD1 TYR A 8 34.396 -1.904 26.312 1.00 -7.31 H ATOM 101 CD2 TYR A 8 32.473 0.787 27.139 1.00 -7.31 C ATOM 102 HD2 TYR A 8 31.447 1.068 27.327 1.00 -7.31 H ATOM 103 CE1 TYR A 8 35.153 0.102 26.645 1.00 -7.31 C ATOM 104 HE1 TYR A 8 36.180 -0.163 26.445 1.00 -7.31 H ATOM 105 CE2 TYR A 8 33.491 1.772 27.228 1.00 -7.31 C ATOM 106 HE2 TYR A 8 33.247 2.792 27.478 1.00 -7.31 H ATOM 107 CZ TYR A 8 34.820 1.414 26.995 1.00 -7.31 C ATOM 108 OH TYR A 8 35.796 2.370 27.119 1.00 -7.31 O ATOM 109 HH TYR A 8 36.665 2.040 26.879 1.00 -7.31 H ATOM 110 N GLN A 9 31.007 -0.808 29.855 1.00-15.14 N ATOM 111 H GLN A 9 30.087 -0.998 29.475 1.00-15.14 H ATOM 112 CA GLN A 9 31.164 0.138 30.953 1.00-15.14 C ATOM 113 HA GLN A 9 31.948 0.849 30.696 1.00-15.14 H ATOM 114 C GLN A 9 31.615 -0.617 32.193 1.00-15.14 C ATOM 115 O GLN A 9 32.472 -0.142 32.931 1.00-15.14 O ATOM 116 CB GLN A 9 29.869 0.902 31.234 1.00-15.14 C ATOM 117 1HB GLN A 9 29.082 0.184 31.462 1.00-15.14 H ATOM 118 2HB GLN A 9 30.023 1.523 32.117 1.00-15.14 H ATOM 119 CG GLN A 9 29.395 1.802 30.093 1.00-15.14 C ATOM 120 1HG GLN A 9 29.233 1.197 29.203 1.00-15.14 H ATOM 121 2HG GLN A 9 28.442 2.248 30.378 1.00-15.14 H ATOM 122 CD GLN A 9 30.367 2.920 29.753 1.00-15.14 C ATOM 123 OE1 GLN A 9 31.191 3.337 30.561 1.00-15.14 O ATOM 124 NE2 GLN A 9 30.275 3.422 28.551 1.00-15.14 N ATOM 125 1HE2 GLN A 9 30.893 4.174 28.294 1.00-15.14 H ATOM 126 2HE2 GLN A 9 29.588 3.075 27.903 1.00-15.14 H ATOM 127 N CYS A 10 31.113 -1.825 32.385 1.00 6.72 N ATOM 128 H CYS A 10 30.382 -2.173 31.775 1.00 6.72 H ATOM 129 CA CYS A 10 31.598 -2.655 33.478 1.00 6.72 C ATOM 130 HA CYS A 10 31.465 -2.108 34.410 1.00 6.72 H ATOM 131 C CYS A 10 33.072 -3.013 33.352 1.00 6.72 C ATOM 132 O CYS A 10 33.830 -2.842 34.297 1.00 6.72 O ATOM 133 CB CYS A 10 30.801 -3.945 33.543 1.00 6.72 C ATOM 134 1HB CYS A 10 29.754 -3.686 33.636 1.00 6.72 H ATOM 135 2HB CYS A 10 30.948 -4.508 32.623 1.00 6.72 H ATOM 136 SG CYS A 10 31.287 -4.998 34.941 1.00 6.72 S ATOM 137 N HIS A 11 33.499 -3.460 32.181 1.00 0.78 N ATOM 138 H HIS A 11 32.833 -3.598 31.424 1.00 0.78 H ATOM 139 CA HIS A 11 34.902 -3.783 31.927 1.00 0.78 C ATOM 140 HA HIS A 11 35.223 -4.576 32.601 1.00 0.78 H ATOM 141 C HIS A 11 35.793 -2.568 32.163 1.00 0.78 C ATOM 142 O HIS A 11 36.858 -2.677 32.770 1.00 0.78 O ATOM 143 CB HIS A 11 35.032 -4.266 30.482 1.00 0.78 C ATOM 144 1HB HIS A 11 34.427 -5.164 30.360 1.00 0.78 H ATOM 145 2HB HIS A 11 34.642 -3.497 29.817 1.00 0.78 H ATOM 146 CG HIS A 11 36.436 -4.568 30.064 1.00 0.78 C ATOM 147 ND1 HIS A 11 37.071 -5.748 30.381 1.00 0.78 N ATOM 148 CD2 HIS A 11 37.307 -3.829 29.321 1.00 0.78 C ATOM 149 HD2 HIS A 11 37.089 -2.843 28.936 1.00 0.78 H ATOM 150 CE1 HIS A 11 38.290 -5.690 29.766 1.00 0.78 C ATOM 151 HE1 HIS A 11 39.019 -6.491 29.797 1.00 0.78 H ATOM 152 NE2 HIS A 11 38.472 -4.518 29.107 1.00 0.78 N ATOM 153 HE2 HIS A 11 39.272 -4.231 28.564 1.00 0.78 H ATOM 154 N ARG A 12 35.333 -1.394 31.753 1.00-17.83 N ATOM 155 H ARG A 12 34.458 -1.363 31.230 1.00-17.83 H ATOM 156 CA ARG A 12 36.051 -0.145 32.016 1.00-17.83 C ATOM 157 HA ARG A 12 37.053 -0.228 31.598 1.00-17.83 H ATOM 158 C ARG A 12 36.204 0.122 33.514 1.00-17.83 C ATOM 159 O ARG A 12 37.281 0.507 33.958 1.00-17.83 O ATOM 160 CB ARG A 12 35.319 1.016 31.333 1.00-17.83 C ATOM 161 1HB ARG A 12 35.150 0.755 30.289 1.00-17.83 H ATOM 162 2HB ARG A 12 34.353 1.146 31.815 1.00-17.83 H ATOM 163 CG ARG A 12 36.071 2.338 31.387 1.00-17.83 C ATOM 164 1HG ARG A 12 36.246 2.605 32.429 1.00-17.83 H ATOM 165 2HG ARG A 12 37.036 2.218 30.894 1.00-17.83 H ATOM 166 CD ARG A 12 35.305 3.476 30.712 1.00-17.83 C ATOM 167 1HD ARG A 12 35.922 4.375 30.738 1.00-17.83 H ATOM 168 2HD ARG A 12 35.136 3.210 29.668 1.00-17.83 H ATOM 169 NE ARG A 12 34.005 3.759 31.344 1.00-17.83 N ATOM 170 HE ARG A 12 33.181 3.401 30.872 1.00-17.83 H ATOM 171 CZ ARG A 12 33.785 4.456 32.450 1.00-17.83 C ATOM 172 NH1 ARG A 12 32.550 4.685 32.785 1.00-17.83 N ATOM 173 1HH1 ARG A 12 31.809 4.354 32.172 1.00-17.83 H ATOM 174 2HH1 ARG A 12 32.334 5.177 33.633 1.00-17.83 H ATOM 175 NH2 ARG A 12 34.725 4.922 33.232 1.00-17.83 N ATOM 176 1HH2 ARG A 12 35.689 4.768 32.995 1.00-17.83 H ATOM 177 2HH2 ARG A 12 34.483 5.420 34.071 1.00-17.83 H ATOM 178 N HIS A 13 35.166 -0.102 34.307 1.00 -0.74 N ATOM 179 H HIS A 13 34.283 -0.410 33.913 1.00 -0.74 H ATOM 180 CA HIS A 13 35.293 0.069 35.756 1.00 -0.74 C ATOM 181 HA HIS A 13 35.783 1.021 35.958 1.00 -0.74 H ATOM 182 C HIS A 13 36.165 -1.027 36.359 1.00 -0.74 C ATOM 183 O HIS A 13 36.962 -0.751 37.247 1.00 -0.74 O ATOM 184 CB HIS A 13 33.934 0.074 36.459 1.00 -0.74 C ATOM 185 1HB HIS A 13 33.358 -0.796 36.144 1.00 -0.74 H ATOM 186 2HB HIS A 13 34.111 -0.003 37.532 1.00 -0.74 H ATOM 187 CG HIS A 13 33.140 1.321 36.220 1.00 -0.74 C ATOM 188 ND1 HIS A 13 32.274 1.501 35.174 1.00 -0.74 N ATOM 189 HD1 HIS A 13 32.081 0.825 34.435 1.00 -0.74 H ATOM 190 CD2 HIS A 13 33.085 2.484 36.922 1.00 -0.74 C ATOM 191 HD2 HIS A 13 33.655 2.694 37.817 1.00 -0.74 H ATOM 192 CE1 HIS A 13 31.734 2.710 35.277 1.00 -0.74 C ATOM 193 HE1 HIS A 13 31.003 3.109 34.586 1.00 -0.74 H ATOM 194 NE2 HIS A 13 32.200 3.358 36.324 1.00 -0.74 N ATOM 195 N CYS A 14 36.086 -2.249 35.856 1.00 -1.00 N ATOM 196 H CYS A 14 35.402 -2.458 35.131 1.00 -1.00 H ATOM 197 CA CYS A 14 36.954 -3.317 36.341 1.00 -1.00 C ATOM 198 HA CYS A 14 36.821 -3.412 37.418 1.00 -1.00 H ATOM 199 C CYS A 14 38.419 -2.993 36.090 1.00 -1.00 C ATOM 200 O CYS A 14 39.261 -3.340 36.900 1.00 -1.00 O ATOM 201 CB CYS A 14 36.622 -4.656 35.679 1.00 -1.00 C ATOM 202 1HB CYS A 14 36.632 -4.525 34.597 1.00 -1.00 H ATOM 203 2HB CYS A 14 37.406 -5.365 35.940 1.00 -1.00 H ATOM 204 SG CYS A 14 35.024 -5.379 36.173 1.00 -1.00 S ATOM 205 N LYS A 15 38.734 -2.287 35.014 1.00 -4.36 N ATOM 206 H LYS A 15 38.007 -2.037 34.347 1.00 -4.36 H ATOM 207 CA LYS A 15 40.115 -1.867 34.757 1.00 -4.36 C ATOM 208 HA LYS A 15 40.766 -2.719 34.936 1.00 -4.36 H ATOM 209 C LYS A 15 40.640 -0.780 35.686 1.00 -4.36 C ATOM 210 O LYS A 15 41.845 -0.576 35.739 1.00 -4.36 O ATOM 211 CB LYS A 15 40.271 -1.412 33.300 1.00 -4.36 C ATOM 212 1HB LYS A 15 39.464 -0.721 33.063 1.00 -4.36 H ATOM 213 2HB LYS A 15 41.214 -0.874 33.203 1.00 -4.36 H ATOM 214 CG LYS A 15 40.276 -2.548 32.277 1.00 -4.36 C ATOM 215 1HG LYS A 15 39.386 -3.161 32.402 1.00 -4.36 H ATOM 216 2HG LYS A 15 40.271 -2.117 31.276 1.00 -4.36 H ATOM 217 CD LYS A 15 41.518 -3.423 32.432 1.00 -4.36 C ATOM 218 1HD LYS A 15 42.409 -2.797 32.367 1.00 -4.36 H ATOM 219 2HD LYS A 15 41.500 -3.910 33.406 1.00 -4.36 H ATOM 220 CE LYS A 15 41.580 -4.494 31.369 1.00 -4.36 C ATOM 221 1HE LYS A 15 40.667 -5.093 31.419 1.00 -4.36 H ATOM 222 2HE LYS A 15 41.653 -4.033 30.384 1.00 -4.36 H ATOM 223 NZ LYS A 15 42.766 -5.377 31.617 1.00 -4.36 N ATOM 224 1HZ LYS A 15 42.704 -6.199 31.030 1.00 -4.36 H ATOM 225 2HZ LYS A 15 42.764 -5.675 32.590 1.00 -4.36 H ATOM 226 3HZ LYS A 15 43.623 -4.878 31.428 1.00 -4.36 H ATOM 227 N SER A 16 39.777 -0.121 36.446 1.00 -3.37 N ATOM 228 H SER A 16 38.785 -0.300 36.364 1.00 -3.37 H ATOM 229 CA SER A 16 40.252 0.831 37.453 1.00 -3.37 C ATOM 230 HA SER A 16 41.130 1.347 37.064 1.00 -3.37 H ATOM 231 C SER A 16 40.664 0.087 38.722 1.00 -3.37 C ATOM 232 O SER A 16 41.342 0.630 39.590 1.00 -3.37 O ATOM 233 CB SER A 16 39.189 1.884 37.782 1.00 -3.37 C ATOM 234 1HB SER A 16 39.644 2.649 38.411 1.00 -3.37 H ATOM 235 2HB SER A 16 38.853 2.349 36.855 1.00 -3.37 H ATOM 236 OG SER A 16 38.069 1.351 38.473 1.00 -3.37 O ATOM 237 HG SER A 16 37.727 0.575 38.000 1.00 -3.37 H ATOM 238 N ILE A 17 40.270 -1.175 38.821 1.00 -6.64 N ATOM 239 H ILE A 17 39.754 -1.605 38.066 1.00 -6.64 H ATOM 240 CA ILE A 17 40.604 -2.002 39.973 1.00 -6.64 C ATOM 241 HA ILE A 17 40.741 -1.361 40.841 1.00 -6.64 H ATOM 242 C ILE A 17 41.926 -2.678 39.592 1.00 -6.64 C ATOM 243 O ILE A 17 42.041 -3.272 38.510 1.00 -6.64 O ATOM 244 CB ILE A 17 39.483 -3.037 40.286 1.00 -6.64 C ATOM 245 HB ILE A 17 39.387 -3.707 39.436 1.00 -6.64 H ATOM 246 CG1 ILE A 17 38.133 -2.314 40.484 1.00 -6.64 C ATOM 247 1HG1 ILE A 17 38.193 -1.701 41.384 1.00 -6.64 H ATOM 248 2HG1 ILE A 17 37.954 -1.649 39.642 1.00 -6.64 H ATOM 249 CG2 ILE A 17 39.842 -3.875 41.540 1.00 -6.64 C ATOM 250 1HG2 ILE A 17 39.098 -4.653 41.694 1.00 -6.64 H ATOM 251 2HG2 ILE A 17 39.879 -3.231 42.421 1.00 -6.64 H ATOM 252 3HG2 ILE A 17 40.815 -4.346 41.403 1.00 -6.64 H ATOM 253 CD1 ILE A 17 36.907 -3.227 40.598 1.00 -6.64 C ATOM 254 1HD1 ILE A 17 36.005 -2.616 40.585 1.00 -6.64 H ATOM 255 2HD1 ILE A 17 36.939 -3.791 41.529 1.00 -6.64 H ATOM 256 3HD1 ILE A 17 36.883 -3.913 39.752 1.00 -6.64 H ATOM 257 N PRO A 18 42.958 -2.587 40.452 1.00-21.95 N ATOM 258 CA PRO A 18 44.234 -3.114 39.956 1.00-21.95 C ATOM 259 HA PRO A 18 44.492 -2.614 39.022 1.00-21.95 H ATOM 260 C PRO A 18 44.279 -4.622 39.721 1.00-21.95 C ATOM 261 O PRO A 18 43.605 -5.426 40.379 1.00-21.95 O ATOM 262 CB PRO A 18 45.223 -2.686 41.045 1.00-21.95 C ATOM 263 1HB PRO A 18 46.035 -3.406 41.143 1.00-21.95 H ATOM 264 2HB PRO A 18 45.616 -1.693 40.825 1.00-21.95 H ATOM 265 CG PRO A 18 44.398 -2.632 42.277 1.00-21.95 C ATOM 266 1HG PRO A 18 44.219 -3.639 42.655 1.00-21.95 H ATOM 267 2HG PRO A 18 44.874 -2.013 43.038 1.00-21.95 H ATOM 268 CD PRO A 18 43.116 -2.005 41.798 1.00-21.95 C ATOM 269 1HD PRO A 18 42.287 -2.281 42.450 1.00-21.95 H ATOM 270 2HD PRO A 18 43.215 -0.920 41.730 1.00-21.95 H ATOM 271 N GLY A 19 45.083 -4.998 38.736 1.00-26.02 N ATOM 272 H GLY A 19 45.571 -4.294 38.202 1.00-26.02 H ATOM 273 CA GLY A 19 45.301 -6.396 38.402 1.00-26.02 C ATOM 274 1HA GLY A 19 46.224 -6.477 37.829 1.00-26.02 H ATOM 275 2HA GLY A 19 45.429 -6.959 39.326 1.00-26.02 H ATOM 276 C GLY A 19 44.193 -7.063 37.612 1.00-26.02 C ATOM 277 O GLY A 19 44.280 -8.249 37.310 1.00-26.02 O ATOM 278 N ARG A 20 43.113 -6.362 37.296 1.00 10.20 N ATOM 279 H ARG A 20 43.038 -5.378 37.536 1.00 10.20 H ATOM 280 CA ARG A 20 42.003 -7.030 36.618 1.00 10.20 C ATOM 281 HA ARG A 20 41.958 -8.050 36.988 1.00 10.20 H ATOM 282 C ARG A 20 42.208 -7.148 35.119 1.00 10.20 C ATOM 283 O ARG A 20 42.550 -6.193 34.420 1.00 10.20 O ATOM 284 CB ARG A 20 40.668 -6.356 36.938 1.00 10.20 C ATOM 285 1HB ARG A 20 40.699 -5.335 36.563 1.00 10.20 H ATOM 286 2HB ARG A 20 39.881 -6.892 36.407 1.00 10.20 H ATOM 287 CG ARG A 20 40.309 -6.330 38.432 1.00 10.20 C ATOM 288 1HG ARG A 20 41.012 -5.692 38.965 1.00 10.20 H ATOM 289 2HG ARG A 20 39.310 -5.913 38.540 1.00 10.20 H ATOM 290 CD ARG A 20 40.346 -7.728 39.052 1.00 10.20 C ATOM 291 1HD ARG A 20 39.827 -8.405 38.379 1.00 10.20 H ATOM 292 2HD ARG A 20 41.384 -8.056 39.131 1.00 10.20 H ATOM 293 NE ARG A 20 39.710 -7.837 40.372 1.00 10.20 N ATOM 294 HE ARG A 20 38.771 -8.214 40.375 1.00 10.20 H ATOM 295 CZ ARG A 20 40.264 -7.558 41.544 1.00 10.20 C ATOM 296 NH1 ARG A 20 39.578 -7.812 42.623 1.00 10.20 N ATOM 297 1HH1 ARG A 20 38.667 -8.234 42.552 1.00 10.20 H ATOM 298 2HH1 ARG A 20 39.961 -7.597 43.527 1.00 10.20 H ATOM 299 NH2 ARG A 20 41.461 -7.048 41.701 1.00 10.20 N ATOM 300 1HH2 ARG A 20 42.012 -6.766 40.896 1.00 10.20 H ATOM 301 2HH2 ARG A 20 41.838 -6.900 42.618 1.00 10.20 H ATOM 302 N CYS A 21 41.959 -8.347 34.623 1.00 30.12 N ATOM 303 H CYS A 21 41.665 -9.088 35.253 1.00 30.12 H ATOM 304 CA CYS A 21 42.029 -8.637 33.202 1.00 30.12 C ATOM 305 HA CYS A 21 42.897 -8.141 32.769 1.00 30.12 H ATOM 306 C CYS A 21 40.764 -8.114 32.534 1.00 30.12 C ATOM 307 O CYS A 21 40.801 -7.644 31.398 1.00 30.12 O ATOM 308 CB CYS A 21 42.154 -10.143 32.986 1.00 30.12 C ATOM 309 1HB CYS A 21 42.157 -10.646 33.953 1.00 30.12 H ATOM 310 2HB CYS A 21 41.299 -10.501 32.410 1.00 30.12 H ATOM 311 SG CYS A 21 43.678 -10.569 32.094 1.00 30.12 S ATOM 312 N GLY A 22 39.658 -8.144 33.262 1.00 2.86 N ATOM 313 H GLY A 22 39.657 -8.541 34.196 1.00 2.86 H ATOM 314 CA GLY A 22 38.399 -7.648 32.738 1.00 2.86 C ATOM 315 1HA GLY A 22 38.432 -6.563 32.649 1.00 2.86 H ATOM 316 2HA GLY A 22 38.215 -8.085 31.756 1.00 2.86 H ATOM 317 C GLY A 22 37.280 -8.045 33.670 1.00 2.86 C ATOM 318 O GLY A 22 37.563 -8.489 34.784 1.00 2.86 O ATOM 319 N GLY A 23 36.035 -7.917 33.242 1.00 12.62 N ATOM 320 H GLY A 23 35.827 -7.541 32.320 1.00 12.62 H ATOM 321 CA GLY A 23 34.915 -8.334 34.063 1.00 12.62 C ATOM 322 1HA GLY A 23 34.994 -9.400 34.274 1.00 12.62 H ATOM 323 2HA GLY A 23 34.920 -7.788 35.002 1.00 12.62 H ATOM 324 C GLY A 23 33.612 -8.073 33.347 1.00 12.62 C ATOM 325 O GLY A 23 33.644 -7.550 32.234 1.00 12.62 O ATOM 326 N TYR A 24 32.496 -8.449 33.953 1.00 1.03 N ATOM 327 H TYR A 24 32.538 -8.833 34.894 1.00 1.03 H ATOM 328 CA TYR A 24 31.183 -8.324 33.326 1.00 1.03 C ATOM 329 HA TYR A 24 31.189 -7.469 32.650 1.00 1.03 H ATOM 330 C TYR A 24 30.123 -8.090 34.399 1.00 1.03 C ATOM 331 O TYR A 24 30.370 -8.304 35.590 1.00 1.03 O ATOM 332 CB TYR A 24 30.849 -9.588 32.522 1.00 1.03 C ATOM 333 1HB TYR A 24 29.904 -9.436 32.004 1.00 1.03 H ATOM 334 2HB TYR A 24 31.625 -9.739 31.770 1.00 1.03 H ATOM 335 CG TYR A 24 30.729 -10.845 33.362 1.00 1.03 C ATOM 336 CD1 TYR A 24 29.504 -11.187 33.972 1.00 1.03 C ATOM 337 HD1 TYR A 24 28.642 -10.561 33.818 1.00 1.03 H ATOM 338 CD2 TYR A 24 31.830 -11.707 33.546 1.00 1.03 C ATOM 339 HD2 TYR A 24 32.775 -11.480 33.073 1.00 1.03 H ATOM 340 CE1 TYR A 24 29.392 -12.333 34.798 1.00 1.03 C ATOM 341 HE1 TYR A 24 28.458 -12.570 35.283 1.00 1.03 H ATOM 342 CE2 TYR A 24 31.713 -12.872 34.352 1.00 1.03 C ATOM 343 HE2 TYR A 24 32.558 -13.530 34.480 1.00 1.03 H ATOM 344 CZ TYR A 24 30.501 -13.155 34.990 1.00 1.03 C ATOM 345 OH TYR A 24 30.393 -14.240 35.818 1.00 1.03 O ATOM 346 HH TYR A 24 31.241 -14.663 35.971 1.00 1.03 H ATOM 347 N CYS A 25 28.949 -7.648 33.979 1.00 5.58 N ATOM 348 H CYS A 25 28.803 -7.484 32.985 1.00 5.58 H ATOM 349 CA CYS A 25 27.834 -7.388 34.881 1.00 5.58 C ATOM 350 HA CYS A 25 28.197 -6.849 35.755 1.00 5.58 H ATOM 351 C CYS A 25 27.132 -8.662 35.340 1.00 5.58 C ATOM 352 O CYS A 25 26.618 -9.442 34.532 1.00 5.58 O ATOM 353 CB CYS A 25 26.809 -6.526 34.153 1.00 5.58 C ATOM 354 1HB CYS A 25 26.452 -7.068 33.278 1.00 5.58 H ATOM 355 2HB CYS A 25 25.971 -6.348 34.817 1.00 5.58 H ATOM 356 SG CYS A 25 27.482 -4.927 33.617 1.00 5.58 S ATOM 357 N GLY A 26 27.061 -8.845 36.646 1.00 18.08 N ATOM 358 H GLY A 26 27.487 -8.158 37.270 1.00 18.08 H ATOM 359 CA GLY A 26 26.390 -9.970 37.270 1.00 18.08 C ATOM 360 1HA GLY A 26 25.669 -10.418 36.590 1.00 18.08 H ATOM 361 2HA GLY A 26 27.131 -10.713 37.563 1.00 18.08 H ATOM 362 C GLY A 26 25.676 -9.457 38.505 1.00 18.08 C ATOM 363 O GLY A 26 25.330 -8.276 38.585 1.00 18.08 O ATOM 364 N GLY A 27 25.463 -10.330 39.477 1.00 11.23 N ATOM 365 H GLY A 27 25.747 -11.290 39.367 1.00 11.23 H ATOM 366 CA GLY A 27 24.825 -9.919 40.716 1.00 11.23 C ATOM 367 1HA GLY A 27 24.922 -10.724 41.444 1.00 11.23 H ATOM 368 2HA GLY A 27 25.340 -9.039 41.096 1.00 11.23 H ATOM 369 C GLY A 27 23.356 -9.579 40.566 1.00 11.23 C ATOM 370 O GLY A 27 22.705 -9.934 39.577 1.00 11.23 O ATOM 371 N TRP A 28 22.828 -8.896 41.572 1.00 0.50 N ATOM 372 H TRP A 28 23.404 -8.611 42.346 1.00 0.50 H ATOM 373 CA TRP A 28 21.414 -8.543 41.614 1.00 0.50 C ATOM 374 HA TRP A 28 20.831 -9.463 41.589 1.00 0.50 H ATOM 375 C TRP A 28 21.054 -7.682 40.416 1.00 0.50 C ATOM 376 O TRP A 28 21.733 -6.691 40.138 1.00 0.50 O ATOM 377 CB TRP A 28 21.104 -7.778 42.900 1.00 0.50 C ATOM 378 1HB TRP A 28 21.477 -6.759 42.801 1.00 0.50 H ATOM 379 2HB TRP A 28 20.023 -7.736 43.040 1.00 0.50 H ATOM 380 CG TRP A 28 21.750 -8.394 44.107 1.00 0.50 C ATOM 381 CD1 TRP A 28 21.340 -9.494 44.795 1.00 0.50 C ATOM 382 HD1 TRP A 28 20.461 -10.076 44.543 1.00 0.50 H ATOM 383 CD2 TRP A 28 22.932 -7.934 44.790 1.00 0.50 C ATOM 384 NE1 TRP A 28 22.170 -9.764 45.849 1.00 0.50 N ATOM 385 HE1 TRP A 28 22.041 -10.531 46.495 1.00 0.50 H ATOM 386 CE2 TRP A 28 23.161 -8.821 45.881 1.00 0.50 C ATOM 387 CE3 TRP A 28 23.816 -6.851 44.599 1.00 0.50 C ATOM 388 HE3 TRP A 28 23.664 -6.160 43.782 1.00 0.50 H ATOM 389 CZ2 TRP A 28 24.234 -8.649 46.781 1.00 0.50 C ATOM 390 HZ2 TRP A 28 24.378 -9.332 47.606 1.00 0.50 H ATOM 391 CZ3 TRP A 28 24.889 -6.666 45.511 1.00 0.50 C ATOM 392 HZ3 TRP A 28 25.554 -5.821 45.394 1.00 0.50 H ATOM 393 CH2 TRP A 28 25.080 -7.569 46.596 1.00 0.50 C ATOM 394 HH2 TRP A 28 25.890 -7.401 47.293 1.00 0.50 H ATOM 395 N HIS A 29 20.030 -8.121 39.693 1.00 -8.68 N ATOM 396 H HIS A 29 19.567 -8.968 39.982 1.00 -8.68 H ATOM 397 CA HIS A 29 19.499 -7.457 38.496 1.00 -8.68 C ATOM 398 HA HIS A 29 18.744 -8.114 38.065 1.00 -8.68 H ATOM 399 C HIS A 29 20.534 -7.180 37.404 1.00 -8.68 C ATOM 400 O HIS A 29 20.334 -6.306 36.571 1.00 -8.68 O ATOM 401 CB HIS A 29 18.776 -6.169 38.901 1.00 -8.68 C ATOM 402 1HB HIS A 29 19.515 -5.421 39.172 1.00 -8.68 H ATOM 403 2HB HIS A 29 18.202 -5.804 38.049 1.00 -8.68 H ATOM 404 CG HIS A 29 17.853 -6.347 40.065 1.00 -8.68 C ATOM 405 ND1 HIS A 29 16.764 -7.191 40.030 1.00 -8.68 N ATOM 406 CD2 HIS A 29 17.890 -5.788 41.307 1.00 -8.68 C ATOM 407 HD2 HIS A 29 18.643 -5.086 41.635 1.00 -8.68 H ATOM 408 CE1 HIS A 29 16.168 -7.079 41.255 1.00 -8.68 C ATOM 409 HE1 HIS A 29 15.267 -7.608 41.536 1.00 -8.68 H ATOM 410 NE2 HIS A 29 16.839 -6.228 42.071 1.00 -8.68 N ATOM 411 HE2 HIS A 29 16.606 -5.971 43.020 1.00 -8.68 H ATOM 412 N ARG A 30 21.648 -7.911 37.441 1.00 16.22 N ATOM 413 H ARG A 30 21.731 -8.615 38.167 1.00 16.22 H ATOM 414 CA ARG A 30 22.804 -7.713 36.551 1.00 16.22 C ATOM 415 HA ARG A 30 23.584 -8.395 36.874 1.00 16.22 H ATOM 416 C ARG A 30 23.386 -6.303 36.668 1.00 16.22 C ATOM 417 O ARG A 30 23.918 -5.776 35.701 1.00 16.22 O ATOM 418 CB ARG A 30 22.475 -8.042 35.080 1.00 16.22 C ATOM 419 1HB ARG A 30 21.778 -7.292 34.707 1.00 16.22 H ATOM 420 2HB ARG A 30 23.389 -7.962 34.491 1.00 16.22 H ATOM 421 CG ARG A 30 21.852 -9.423 34.833 1.00 16.22 C ATOM 422 1HG ARG A 30 20.946 -9.517 35.430 1.00 16.22 H ATOM 423 2HG ARG A 30 21.573 -9.492 33.782 1.00 16.22 H ATOM 424 CD ARG A 30 22.787 -10.590 35.165 1.00 16.22 C ATOM 425 1HD ARG A 30 23.091 -10.512 36.209 1.00 16.22 H ATOM 426 2HD ARG A 30 22.242 -11.526 35.044 1.00 16.22 H ATOM 427 NE ARG A 30 23.986 -10.611 34.312 1.00 16.22 N ATOM 428 HE ARG A 30 24.804 -10.116 34.654 1.00 16.22 H ATOM 429 CZ ARG A 30 24.126 -11.220 33.143 1.00 16.22 C ATOM 430 NH1 ARG A 30 25.288 -11.149 32.560 1.00 16.22 N ATOM 431 1HH1 ARG A 30 26.031 -10.623 33.015 1.00 16.22 H ATOM 432 2HH1 ARG A 30 25.452 -11.605 31.683 1.00 16.22 H ATOM 433 NH2 ARG A 30 23.176 -11.893 32.542 1.00 16.22 N ATOM 434 1HH2 ARG A 30 22.269 -11.954 32.969 1.00 16.22 H ATOM 435 2HH2 ARG A 30 23.354 -12.343 31.663 1.00 16.22 H ATOM 436 N LEU A 31 23.303 -5.690 37.843 1.00 12.77 N ATOM 437 H LEU A 31 22.843 -6.163 38.618 1.00 12.77 H ATOM 438 CA LEU A 31 23.799 -4.323 38.046 1.00 12.77 C ATOM 439 HA LEU A 31 23.970 -3.876 37.072 1.00 12.77 H ATOM 440 C LEU A 31 25.122 -4.229 38.809 1.00 12.77 C ATOM 441 O LEU A 31 25.549 -3.128 39.192 1.00 12.77 O ATOM 442 CB LEU A 31 22.737 -3.477 38.763 1.00 12.77 C ATOM 443 1HB LEU A 31 22.555 -3.922 39.741 1.00 12.77 H ATOM 444 2HB LEU A 31 23.147 -2.483 38.919 1.00 12.77 H ATOM 445 CG LEU A 31 21.384 -3.296 38.060 1.00 12.77 C ATOM 446 HG LEU A 31 20.939 -4.272 37.923 1.00 12.77 H ATOM 447 CD1 LEU A 31 20.456 -2.475 38.951 1.00 12.77 C ATOM 448 1HD1 LEU A 31 19.470 -2.420 38.486 1.00 12.77 H ATOM 449 2HD1 LEU A 31 20.843 -1.467 39.087 1.00 12.77 H ATOM 450 3HD1 LEU A 31 20.348 -2.963 39.920 1.00 12.77 H ATOM 451 CD2 LEU A 31 21.505 -2.632 36.689 1.00 12.77 C ATOM 452 1HD2 LEU A 31 20.510 -2.482 36.268 1.00 12.77 H ATOM 453 2HD2 LEU A 31 22.052 -3.288 36.010 1.00 12.77 H ATOM 454 3HD2 LEU A 31 22.014 -1.672 36.758 1.00 12.77 H ATOM 455 N ARG A 32 25.775 -5.358 39.055 1.00 -0.91 N ATOM 456 H ARG A 32 25.402 -6.244 38.714 1.00 -0.91 H ATOM 457 CA ARG A 32 27.027 -5.390 39.821 1.00 -0.91 C ATOM 458 HA ARG A 32 27.322 -4.382 40.095 1.00 -0.91 H ATOM 459 C ARG A 32 28.157 -6.017 39.016 1.00 -0.91 C ATOM 460 O ARG A 32 28.065 -7.169 38.625 1.00 -0.91 O ATOM 461 CB ARG A 32 26.804 -6.208 41.098 1.00 -0.91 C ATOM 462 1HB ARG A 32 25.995 -5.754 41.668 1.00 -0.91 H ATOM 463 2HB ARG A 32 26.499 -7.212 40.811 1.00 -0.91 H ATOM 464 CG ARG A 32 28.032 -6.325 41.991 1.00 -0.91 C ATOM 465 1HG ARG A 32 28.846 -6.775 41.427 1.00 -0.91 H ATOM 466 2HG ARG A 32 28.334 -5.332 42.322 1.00 -0.91 H ATOM 467 CD ARG A 32 27.757 -7.192 43.203 1.00 -0.91 C ATOM 468 1HD ARG A 32 27.055 -6.675 43.855 1.00 -0.91 H ATOM 469 2HD ARG A 32 27.317 -8.136 42.876 1.00 -0.91 H ATOM 470 NE ARG A 32 29.000 -7.465 43.936 1.00 -0.91 N ATOM 471 HE ARG A 32 29.842 -7.077 43.539 1.00 -0.91 H ATOM 472 CZ ARG A 32 29.119 -8.180 45.047 1.00 -0.91 C ATOM 473 NH1 ARG A 32 30.308 -8.357 45.550 1.00 -0.91 N ATOM 474 1HH1 ARG A 32 31.115 -7.964 45.095 1.00 -0.91 H ATOM 475 2HH1 ARG A 32 30.424 -8.887 46.398 1.00 -0.91 H ATOM 476 NH2 ARG A 32 28.109 -8.734 45.670 1.00 -0.91 N ATOM 477 1HH2 ARG A 32 27.173 -8.593 45.326 1.00 -0.91 H ATOM 478 2HH2 ARG A 32 28.263 -9.288 46.494 1.00 -0.91 H ATOM 479 N CYS A 33 29.249 -5.305 38.800 1.00 12.86 N ATOM 480 H CYS A 33 29.314 -4.345 39.092 1.00 12.86 H ATOM 481 CA CYS A 33 30.398 -5.931 38.158 1.00 12.86 C ATOM 482 HA CYS A 33 30.090 -6.342 37.198 1.00 12.86 H ATOM 483 C CYS A 33 30.997 -7.060 38.981 1.00 12.86 C ATOM 484 O CYS A 33 31.109 -6.974 40.207 1.00 12.86 O ATOM 485 CB CYS A 33 31.509 -4.917 37.924 1.00 12.86 C ATOM 486 1HB CYS A 33 31.698 -4.356 38.839 1.00 12.86 H ATOM 487 2HB CYS A 33 32.415 -5.459 37.655 1.00 12.86 H ATOM 488 SG CYS A 33 31.126 -3.792 36.561 1.00 12.86 S ATOM 489 N THR A 34 31.454 -8.077 38.271 1.00 -9.11 N ATOM 490 H THR A 34 31.258 -8.117 37.269 1.00 -9.11 H ATOM 491 CA THR A 34 32.290 -9.128 38.831 1.00 -9.11 C ATOM 492 HA THR A 34 32.498 -8.920 39.878 1.00 -9.11 H ATOM 493 C THR A 34 33.570 -9.033 38.009 1.00 -9.11 C ATOM 494 O THR A 34 33.521 -9.144 36.786 1.00 -9.11 O ATOM 495 CB THR A 34 31.596 -10.495 38.702 1.00 -9.11 C ATOM 496 HB THR A 34 31.509 -10.766 37.649 1.00 -9.11 H ATOM 497 OG1 THR A 34 30.288 -10.388 39.272 1.00 -9.11 O ATOM 498 HG1 THR A 34 29.852 -9.642 38.848 1.00 -9.11 H ATOM 499 CG2 THR A 34 32.332 -11.580 39.461 1.00 -9.11 C ATOM 500 1HG2 THR A 34 31.810 -12.526 39.316 1.00 -9.11 H ATOM 501 2HG2 THR A 34 32.351 -11.344 40.524 1.00 -9.11 H ATOM 502 3HG2 THR A 34 33.350 -11.679 39.084 1.00 -9.11 H ATOM 503 N CYS A 35 34.683 -8.717 38.660 1.00 3.27 N ATOM 504 H CYS A 35 34.674 -8.682 39.666 1.00 3.27 H ATOM 505 CA CYS A 35 35.929 -8.371 37.972 1.00 3.27 C ATOM 506 HA CYS A 35 35.763 -8.361 36.897 1.00 3.27 H ATOM 507 C CYS A 35 37.034 -9.374 38.287 1.00 3.27 C ATOM 508 O CYS A 35 37.329 -9.631 39.459 1.00 3.27 O ATOM 509 CB CYS A 35 36.387 -6.980 38.415 1.00 3.27 C ATOM 510 1HB CYS A 35 36.632 -7.025 39.475 1.00 3.27 H ATOM 511 2HB CYS A 35 37.294 -6.725 37.868 1.00 3.27 H ATOM 512 SG CYS A 35 35.169 -5.645 38.181 1.00 3.27 S ATOM 513 N TYR A 36 37.655 -9.913 37.251 1.00-15.88 N ATOM 514 H TYR A 36 37.490 -9.533 36.319 1.00-15.88 H ATOM 515 CA TYR A 36 38.537 -11.074 37.356 1.00-15.88 C ATOM 516 HA TYR A 36 38.449 -11.513 38.349 1.00-15.88 H ATOM 517 C TYR A 36 39.990 -10.703 37.111 1.00-15.88 C ATOM 518 O TYR A 36 40.288 -9.830 36.298 1.00-15.88 O ATOM 519 CB TYR A 36 38.109 -12.112 36.317 1.00-15.88 C ATOM 520 1HB TYR A 36 38.113 -11.647 35.331 1.00-15.88 H ATOM 521 2HB TYR A 36 38.833 -12.928 36.316 1.00-15.88 H ATOM 522 CG TYR A 36 36.734 -12.687 36.587 1.00-15.88 C ATOM 523 CD1 TYR A 36 35.566 -12.004 36.184 1.00-15.88 C ATOM 524 HD1 TYR A 36 35.643 -11.063 35.659 1.00-15.88 H ATOM 525 CD2 TYR A 36 36.593 -13.917 37.262 1.00-15.88 C ATOM 526 HD2 TYR A 36 37.471 -14.462 37.579 1.00-15.88 H ATOM 527 CE1 TYR A 36 34.284 -12.531 36.468 1.00-15.88 C ATOM 528 HE1 TYR A 36 33.399 -11.982 36.185 1.00-15.88 H ATOM 529 CE2 TYR A 36 35.306 -14.459 37.524 1.00-15.88 C ATOM 530 HE2 TYR A 36 35.211 -15.408 38.029 1.00-15.88 H ATOM 531 CZ TYR A 36 34.166 -13.763 37.116 1.00-15.88 C ATOM 532 OH TYR A 36 32.927 -14.302 37.354 1.00-15.88 O ATOM 533 HH TYR A 36 32.976 -15.127 37.842 1.00-15.88 H ATOM 534 N ARG A 37 40.891 -11.353 37.831 1.00 -6.16 N ATOM 535 H ARG A 37 40.582 -12.068 38.470 1.00 -6.16 H ATOM 536 CA ARG A 37 42.334 -11.150 37.675 1.00 -6.16 C ATOM 537 HA ARG A 37 42.572 -10.096 37.552 1.00 -6.16 H ATOM 538 C ARG A 37 42.785 -11.928 36.440 1.00 -6.16 C ATOM 539 O ARG A 37 42.040 -12.777 35.963 1.00 -6.16 O ATOM 540 CB ARG A 37 43.068 -11.719 38.899 1.00 -6.16 C ATOM 541 1HB ARG A 37 42.336 -11.959 39.669 1.00 -6.16 H ATOM 542 2HB ARG A 37 43.551 -12.649 38.600 1.00 -6.16 H ATOM 543 CG ARG A 37 44.117 -10.786 39.510 1.00 -6.16 C ATOM 544 1HG ARG A 37 44.703 -10.332 38.714 1.00 -6.16 H ATOM 545 2HG ARG A 37 43.609 -9.999 40.067 1.00 -6.16 H ATOM 546 CD ARG A 37 45.073 -11.535 40.436 1.00 -6.16 C ATOM 547 1HD ARG A 37 45.633 -10.811 41.029 1.00 -6.16 H ATOM 548 2HD ARG A 37 44.498 -12.181 41.101 1.00 -6.16 H ATOM 549 NE ARG A 37 46.019 -12.340 39.650 1.00 -6.16 N ATOM 550 HE ARG A 37 46.013 -12.192 38.635 1.00 -6.16 H ATOM 551 CZ ARG A 37 46.901 -13.221 40.096 1.00 -6.16 C ATOM 552 NH1 ARG A 37 47.590 -13.902 39.229 1.00 -6.16 N ATOM 553 1HH1 ARG A 37 47.387 -13.781 38.225 1.00 -6.16 H ATOM 554 2HH1 ARG A 37 48.294 -14.548 39.514 1.00 -6.16 H ATOM 555 NH2 ARG A 37 47.114 -13.451 41.367 1.00 -6.16 N ATOM 556 1HH2 ARG A 37 46.605 -12.926 42.053 1.00 -6.16 H ATOM 557 2HH2 ARG A 37 47.787 -14.141 41.644 1.00 -6.16 H ATOM 558 N CYS A 38 44.022 -11.716 36.025 1.00 -1.47 N ATOM 559 H CYS A 38 44.559 -10.927 36.371 1.00 -1.47 H ATOM 560 CA CYS A 38 44.820 -12.743 35.359 1.00 -1.47 C ATOM 561 HA CYS A 38 44.321 -13.712 35.364 1.00 -1.47 H ATOM 562 C CYS A 38 45.995 -12.760 36.319 1.00 -1.47 C ATOM 563 O CYS A 38 46.173 -11.680 36.925 1.00 -1.47 O ATOM 564 OXT CYS A 38 46.631 -13.794 36.574 1.00 -1.47 O ATOM 565 CB CYS A 38 45.280 -12.364 33.948 1.00 -1.47 C ATOM 566 1HB CYS A 38 45.690 -11.355 33.967 1.00 -1.47 H ATOM 567 2HB CYS A 38 46.088 -13.045 33.681 1.00 -1.47 H ATOM 568 SG CYS A 38 44.011 -12.490 32.646 1.00 -1.47 S TER 569 CYS A 38 CONECT 46 43 356 CONECT 136 133 488 CONECT 204 201 512 CONECT 311 308 568 CONECT 356 46 353 CONECT 488 136 485 CONECT 512 204 509 CONECT 568 311 565 END
SEQUENCE	GFGCPNNYQCHRHCKSIPGRCGGYCGGWHRLRCTCYRC
HELICITY	0.00	INSTAB. INDEX	48.65	FLEXIBILITY	16.03
a HYD. MOM.	50.05	b HYD. MOM.	23.86	c HYD. MOM	4.78
a MEAN HYD. MOM.	1.32	b MEAN HYD. MOM.	0.63	c MEAN HYD. MOM.	0.13
CHARGE pH5	8.73	CHARGE pH7	5.91	CHARGE pH9	-1.06
Δ CHARGE pH5-pH9	9.79	ISOELECTRIC POINT	9.12	BOMAN INDEX	2.30
ΔG	22	CPP	-0,15	MLP	-6,71
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	Mollusca	CLASS	Bivalvia	ORDER	Pteriomorpha
FAMILY	Mytilidae	GENUS	Mytilus	SPECIES	Mytilus galloprovincialis
DATE	1996
TITLE PAPER	A member of the arthropod defensin family from edible Mediterranean mussels (Mytilus galloprovincialis)