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ID	2310	NAME	Mussel defensin MGD-2   Blast NCBI-PROT
LENGTH	39	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\GFGCPNNYACHQHCKSIRGYCGGYCAGWFRLRCTCYRCG.pdb REMARK YASARA Written on: Wed May 14 18:13:04 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 574 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 39 GLY PHE GLY CYS PRO ASN ASN TYR ALA CYS HIS GLN HIS SEQRES 2 A 39 CYS LYS SER ILE ARG GLY TYR CYS GLY GLY TYR CYS ALA SEQRES 3 A 39 GLY TRP PHE ARG LEU ARG CYS THR CYS TYR ARG CYS GLY 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 21.977 -1.645 40.804 1.00-19.99 N ATOM 2 1H GLY A 1 21.117 -1.199 41.088 1.00-19.99 H ATOM 3 2H GLY A 1 21.981 -2.606 41.118 1.00-19.99 H ATOM 4 3H GLY A 1 22.049 -1.629 39.795 1.00-19.99 H ATOM 5 CA GLY A 1 23.136 -0.928 41.392 1.00-19.99 C ATOM 6 1HA GLY A 1 23.133 0.103 41.043 1.00-19.99 H ATOM 7 2HA GLY A 1 23.059 -0.950 42.479 1.00-19.99 H ATOM 8 C GLY A 1 24.418 -1.591 40.974 1.00-19.99 C ATOM 9 O GLY A 1 24.298 -2.565 40.265 1.00-19.99 O ATOM 10 N PHE A 2 25.599 -1.113 41.363 1.00 15.46 N ATOM 11 H PHE A 2 25.647 -0.298 41.957 1.00 15.46 H ATOM 12 CA PHE A 2 26.879 -1.747 40.986 1.00 15.46 C ATOM 13 HA PHE A 2 27.690 -1.134 41.383 1.00 15.46 H ATOM 14 C PHE A 2 27.064 -1.839 39.463 1.00 15.46 C ATOM 15 O PHE A 2 27.576 -2.815 38.946 1.00 15.46 O ATOM 16 CB PHE A 2 27.007 -3.144 41.626 1.00 15.46 C ATOM 17 1HB PHE A 2 26.313 -3.828 41.140 1.00 15.46 H ATOM 18 2HB PHE A 2 28.017 -3.519 41.460 1.00 15.46 H ATOM 19 CG PHE A 2 26.728 -3.158 43.105 1.00 15.46 C ATOM 20 CD1 PHE A 2 25.436 -3.443 43.589 1.00 15.46 C ATOM 21 HD1 PHE A 2 24.639 -3.675 42.898 1.00 15.46 H ATOM 22 CD2 PHE A 2 27.755 -2.875 44.021 1.00 15.46 C ATOM 23 HD2 PHE A 2 28.755 -2.662 43.666 1.00 15.46 H ATOM 24 CE1 PHE A 2 25.159 -3.419 44.977 1.00 15.46 C ATOM 25 HE1 PHE A 2 24.162 -3.630 45.337 1.00 15.46 H ATOM 26 CE2 PHE A 2 27.498 -2.862 45.415 1.00 15.46 C ATOM 27 HE2 PHE A 2 28.298 -2.649 46.111 1.00 15.46 H ATOM 28 CZ PHE A 2 26.194 -3.129 45.893 1.00 15.46 C ATOM 29 HZ PHE A 2 25.994 -3.118 46.956 1.00 15.46 H ATOM 30 N GLY A 3 26.554 -0.855 38.733 1.00 -6.13 N ATOM 31 H GLY A 3 26.140 -0.061 39.185 1.00 -6.13 H ATOM 32 CA GLY A 3 26.558 -0.894 37.274 1.00 -6.13 C ATOM 33 1HA GLY A 3 26.534 0.126 36.894 1.00 -6.13 H ATOM 34 2HA GLY A 3 27.478 -1.367 36.928 1.00 -6.13 H ATOM 35 C GLY A 3 25.376 -1.649 36.689 1.00 -6.13 C ATOM 36 O GLY A 3 24.836 -1.288 35.646 1.00 -6.13 O ATOM 37 N CYS A 4 24.916 -2.671 37.391 1.00 13.96 N ATOM 38 H CYS A 4 25.367 -2.918 38.264 1.00 13.96 H ATOM 39 CA CYS A 4 23.757 -3.444 36.969 1.00 13.96 C ATOM 40 HA CYS A 4 23.926 -3.790 35.953 1.00 13.96 H ATOM 41 C CYS A 4 22.484 -2.598 37.014 1.00 13.96 C ATOM 42 O CYS A 4 22.373 -1.684 37.845 1.00 13.96 O ATOM 43 CB CYS A 4 23.589 -4.650 37.884 1.00 13.96 C ATOM 44 1HB CYS A 4 23.494 -4.317 38.912 1.00 13.96 H ATOM 45 2HB CYS A 4 22.682 -5.166 37.604 1.00 13.96 H ATOM 46 SG CYS A 4 24.966 -5.811 37.753 1.00 13.96 S ATOM 47 N PRO A 5 21.491 -2.898 36.154 1.00 19.48 N ATOM 48 CA PRO A 5 21.346 -3.985 35.169 1.00 19.48 C ATOM 49 HA PRO A 5 21.561 -4.941 35.645 1.00 19.48 H ATOM 50 C PRO A 5 22.173 -3.919 33.880 1.00 19.48 C ATOM 51 O PRO A 5 22.157 -4.881 33.102 1.00 19.48 O ATOM 52 CB PRO A 5 19.850 -3.936 34.850 1.00 19.48 C ATOM 53 1HB PRO A 5 19.646 -4.315 33.848 1.00 19.48 H ATOM 54 2HB PRO A 5 19.286 -4.502 35.592 1.00 19.48 H ATOM 55 CG PRO A 5 19.518 -2.505 34.956 1.00 19.48 C ATOM 56 1HG PRO A 5 19.866 -1.972 34.070 1.00 19.48 H ATOM 57 2HG PRO A 5 18.446 -2.363 35.092 1.00 19.48 H ATOM 58 CD PRO A 5 20.278 -2.058 36.180 1.00 19.48 C ATOM 59 1HD PRO A 5 20.529 -0.998 36.108 1.00 19.48 H ATOM 60 2HD PRO A 5 19.699 -2.260 37.083 1.00 19.48 H ATOM 61 N ASN A 6 22.930 -2.851 33.651 1.00 -6.34 N ATOM 62 H ASN A 6 22.974 -2.095 34.324 1.00 -6.34 H ATOM 63 CA ASN A 6 23.818 -2.789 32.488 1.00 -6.34 C ATOM 64 HA ASN A 6 23.272 -3.119 31.604 1.00 -6.34 H ATOM 65 C ASN A 6 24.972 -3.758 32.736 1.00 -6.34 C ATOM 66 O ASN A 6 25.761 -3.613 33.672 1.00 -6.34 O ATOM 67 CB ASN A 6 24.334 -1.364 32.252 1.00 -6.34 C ATOM 68 1HB ASN A 6 23.485 -0.691 32.151 1.00 -6.34 H ATOM 69 2HB ASN A 6 24.918 -1.051 33.112 1.00 -6.34 H ATOM 70 CG ASN A 6 25.207 -1.248 31.017 1.00 -6.34 C ATOM 71 OD1 ASN A 6 26.048 -2.094 30.730 1.00 -6.34 O ATOM 72 ND2 ASN A 6 25.022 -0.191 30.279 1.00 -6.34 N ATOM 73 1HD2 ASN A 6 25.581 -0.077 29.448 1.00 -6.34 H ATOM 74 2HD2 ASN A 6 24.340 0.500 30.541 1.00 -6.34 H ATOM 75 N ASN A 7 25.043 -4.786 31.904 1.00 -6.80 N ATOM 76 H ASN A 7 24.414 -4.840 31.121 1.00 -6.80 H ATOM 77 CA ASN A 7 25.971 -5.875 32.163 1.00 -6.80 C ATOM 78 HA ASN A 7 25.846 -6.169 33.206 1.00 -6.80 H ATOM 79 C ASN A 7 27.433 -5.496 31.970 1.00 -6.80 C ATOM 80 O ASN A 7 28.286 -6.002 32.684 1.00 -6.80 O ATOM 81 CB ASN A 7 25.644 -7.081 31.284 1.00 -6.80 C ATOM 82 1HB ASN A 7 24.569 -7.127 31.123 1.00 -6.80 H ATOM 83 2HB ASN A 7 26.136 -6.969 30.319 1.00 -6.80 H ATOM 84 CG ASN A 7 26.070 -8.375 31.921 1.00 -6.80 C ATOM 85 OD1 ASN A 7 25.600 -8.716 33.003 1.00 -6.80 O ATOM 86 ND2 ASN A 7 26.918 -9.115 31.265 1.00 -6.80 N ATOM 87 1HD2 ASN A 7 27.205 -9.993 31.667 1.00 -6.80 H ATOM 88 2HD2 ASN A 7 27.288 -8.810 30.381 1.00 -6.80 H ATOM 89 N TYR A 8 27.747 -4.611 31.030 1.00-17.23 N ATOM 90 H TYR A 8 27.035 -4.166 30.467 1.00-17.23 H ATOM 91 CA TYR A 8 29.150 -4.245 30.840 1.00-17.23 C ATOM 92 HA TYR A 8 29.751 -5.134 31.016 1.00-17.23 H ATOM 93 C TYR A 8 29.568 -3.197 31.862 1.00-17.23 C ATOM 94 O TYR A 8 30.702 -3.201 32.319 1.00-17.23 O ATOM 95 CB TYR A 8 29.502 -3.766 29.429 1.00-17.23 C ATOM 96 1HB TYR A 8 29.056 -4.439 28.698 1.00-17.23 H ATOM 97 2HB TYR A 8 29.123 -2.756 29.273 1.00-17.23 H ATOM 98 CG TYR A 8 31.013 -3.791 29.266 1.00-17.23 C ATOM 99 CD1 TYR A 8 31.683 -5.004 28.997 1.00-17.23 C ATOM 100 HD1 TYR A 8 31.114 -5.892 28.762 1.00-17.23 H ATOM 101 CD2 TYR A 8 31.794 -2.637 29.502 1.00-17.23 C ATOM 102 HD2 TYR A 8 31.311 -1.684 29.662 1.00-17.23 H ATOM 103 CE1 TYR A 8 33.102 -5.087 29.072 1.00-17.23 C ATOM 104 HE1 TYR A 8 33.603 -6.025 28.886 1.00-17.23 H ATOM 105 CE2 TYR A 8 33.213 -2.724 29.593 1.00-17.23 C ATOM 106 HE2 TYR A 8 33.798 -1.844 29.814 1.00-17.23 H ATOM 107 CZ TYR A 8 33.847 -3.958 29.424 1.00-17.23 C ATOM 108 OH TYR A 8 35.202 -4.064 29.634 1.00-17.23 O ATOM 109 HH TYR A 8 35.566 -3.251 30.018 1.00-17.23 H ATOM 110 N ALA A 9 28.649 -2.345 32.296 1.00 -6.55 N ATOM 111 H ALA A 9 27.717 -2.349 31.896 1.00 -6.55 H ATOM 112 CA ALA A 9 28.982 -1.402 33.361 1.00 -6.55 C ATOM 113 HA ALA A 9 29.849 -0.816 33.052 1.00 -6.55 H ATOM 114 C ALA A 9 29.362 -2.192 34.618 1.00 -6.55 C ATOM 115 O ALA A 9 30.345 -1.885 35.282 1.00 -6.55 O ATOM 116 CB ALA A 9 27.812 -0.459 33.633 1.00 -6.55 C ATOM 117 1HB ALA A 9 27.548 0.077 32.721 1.00 -6.55 H ATOM 118 2HB ALA A 9 28.103 0.264 34.397 1.00 -6.55 H ATOM 119 3HB ALA A 9 26.954 -1.026 33.990 1.00 -6.55 H ATOM 120 N CYS A 10 28.629 -3.262 34.884 1.00 12.41 N ATOM 121 H CYS A 10 27.798 -3.447 34.334 1.00 12.41 H ATOM 122 CA CYS A 10 29.000 -4.195 35.944 1.00 12.41 C ATOM 123 HA CYS A 10 29.082 -3.660 36.890 1.00 12.41 H ATOM 124 C CYS A 10 30.322 -4.916 35.691 1.00 12.41 C ATOM 125 O CYS A 10 31.164 -5.024 36.579 1.00 12.41 O ATOM 126 CB CYS A 10 27.917 -5.253 36.062 1.00 12.41 C ATOM 127 1HB CYS A 10 27.015 -4.778 36.440 1.00 12.41 H ATOM 128 2HB CYS A 10 27.709 -5.654 35.073 1.00 12.41 H ATOM 129 SG CYS A 10 28.383 -6.643 37.137 1.00 12.41 S ATOM 130 N HIS A 11 30.528 -5.396 34.474 1.00 2.72 N ATOM 131 H HIS A 11 29.807 -5.308 33.768 1.00 2.72 H ATOM 132 CA HIS A 11 31.769 -6.078 34.123 1.00 2.72 C ATOM 133 HA HIS A 11 31.872 -6.969 34.740 1.00 2.72 H ATOM 134 C HIS A 11 32.963 -5.172 34.386 1.00 2.72 C ATOM 135 O HIS A 11 33.946 -5.596 34.981 1.00 2.72 O ATOM 136 CB HIS A 11 31.736 -6.473 32.644 1.00 2.72 C ATOM 137 1HB HIS A 11 30.859 -7.095 32.464 1.00 2.72 H ATOM 138 2HB HIS A 11 31.647 -5.571 32.045 1.00 2.72 H ATOM 139 CG HIS A 11 32.953 -7.208 32.180 1.00 2.72 C ATOM 140 ND1 HIS A 11 33.041 -8.574 32.081 1.00 2.72 N ATOM 141 HD1 HIS A 11 32.307 -9.230 32.339 1.00 2.72 H ATOM 142 CD2 HIS A 11 34.150 -6.743 31.737 1.00 2.72 C ATOM 143 HD2 HIS A 11 34.420 -5.698 31.678 1.00 2.72 H ATOM 144 CE1 HIS A 11 34.241 -8.877 31.575 1.00 2.72 C ATOM 145 HE1 HIS A 11 34.583 -9.883 31.371 1.00 2.72 H ATOM 146 NE2 HIS A 11 34.956 -7.791 31.351 1.00 2.72 N ATOM 147 N GLN A 12 32.868 -3.918 33.973 1.00 -0.04 N ATOM 148 H GLN A 12 32.024 -3.614 33.485 1.00 -0.04 H ATOM 149 CA GLN A 12 33.947 -2.959 34.159 1.00 -0.04 C ATOM 150 HA GLN A 12 34.873 -3.441 33.855 1.00 -0.04 H ATOM 151 C GLN A 12 34.094 -2.524 35.617 1.00 -0.04 C ATOM 152 O GLN A 12 35.205 -2.283 36.077 1.00 -0.04 O ATOM 153 CB GLN A 12 33.716 -1.752 33.248 1.00 -0.04 C ATOM 154 1HB GLN A 12 33.455 -2.126 32.261 1.00 -0.04 H ATOM 155 2HB GLN A 12 32.874 -1.172 33.627 1.00 -0.04 H ATOM 156 CG GLN A 12 34.929 -0.837 33.104 1.00 -0.04 C ATOM 157 1HG GLN A 12 34.684 -0.026 32.419 1.00 -0.04 H ATOM 158 2HG GLN A 12 35.165 -0.407 34.076 1.00 -0.04 H ATOM 159 CD GLN A 12 36.158 -1.567 32.589 1.00 -0.04 C ATOM 160 OE1 GLN A 12 36.138 -2.212 31.546 1.00 -0.04 O ATOM 161 NE2 GLN A 12 37.232 -1.491 33.329 1.00 -0.04 N ATOM 162 1HE2 GLN A 12 38.077 -1.931 33.009 1.00 -0.04 H ATOM 163 2HE2 GLN A 12 37.203 -1.008 34.212 1.00 -0.04 H ATOM 164 N HIS A 13 32.999 -2.473 36.359 1.00 14.23 N ATOM 165 H HIS A 13 32.087 -2.620 35.930 1.00 14.23 H ATOM 166 CA HIS A 13 33.050 -2.216 37.797 1.00 14.23 C ATOM 167 HA HIS A 13 33.575 -1.277 37.974 1.00 14.23 H ATOM 168 C HIS A 13 33.825 -3.335 38.492 1.00 14.23 C ATOM 169 O HIS A 13 34.737 -3.065 39.266 1.00 14.23 O ATOM 170 CB HIS A 13 31.621 -2.108 38.340 1.00 14.23 C ATOM 171 1HB HIS A 13 31.127 -1.266 37.856 1.00 14.23 H ATOM 172 2HB HIS A 13 31.076 -3.012 38.086 1.00 14.23 H ATOM 173 CG HIS A 13 31.529 -1.933 39.824 1.00 14.23 C ATOM 174 ND1 HIS A 13 32.473 -1.321 40.618 1.00 14.23 N ATOM 175 HD1 HIS A 13 33.367 -0.955 40.316 1.00 14.23 H ATOM 176 CD2 HIS A 13 30.550 -2.318 40.680 1.00 14.23 C ATOM 177 HD2 HIS A 13 29.658 -2.853 40.387 1.00 14.23 H ATOM 178 CE1 HIS A 13 32.025 -1.335 41.876 1.00 14.23 C ATOM 179 HE1 HIS A 13 32.564 -0.926 42.721 1.00 14.23 H ATOM 180 NE2 HIS A 13 30.848 -1.922 41.964 1.00 14.23 N ATOM 181 N CYS A 14 33.549 -4.585 38.158 1.00 1.60 N ATOM 182 H CYS A 14 32.779 -4.782 37.518 1.00 1.60 H ATOM 183 CA CYS A 14 34.323 -5.696 38.706 1.00 1.60 C ATOM 184 HA CYS A 14 34.283 -5.668 39.795 1.00 1.60 H ATOM 185 C CYS A 14 35.786 -5.634 38.282 1.00 1.60 C ATOM 186 O CYS A 14 36.681 -5.910 39.058 1.00 1.60 O ATOM 187 CB CYS A 14 33.740 -7.013 38.211 1.00 1.60 C ATOM 188 1HB CYS A 14 33.684 -6.983 37.124 1.00 1.60 H ATOM 189 2HB CYS A 14 34.422 -7.815 38.492 1.00 1.60 H ATOM 190 SG CYS A 14 32.091 -7.401 38.869 1.00 1.60 S ATOM 191 N LYS A 15 36.026 -5.231 37.046 1.00 -7.98 N ATOM 192 H LYS A 15 35.232 -5.021 36.445 1.00 -7.98 H ATOM 193 CA LYS A 15 37.372 -5.107 36.478 1.00 -7.98 C ATOM 194 HA LYS A 15 37.931 -6.021 36.687 1.00 -7.98 H ATOM 195 C LYS A 15 38.174 -3.930 37.037 1.00 -7.98 C ATOM 196 O LYS A 15 39.366 -3.801 36.781 1.00 -7.98 O ATOM 197 CB LYS A 15 37.152 -4.983 34.975 1.00 -7.98 C ATOM 198 1HB LYS A 15 36.355 -5.682 34.751 1.00 -7.98 H ATOM 199 2HB LYS A 15 36.792 -3.981 34.754 1.00 -7.98 H ATOM 200 CG LYS A 15 38.272 -5.318 34.022 1.00 -7.98 C ATOM 201 1HG LYS A 15 39.016 -4.522 33.997 1.00 -7.98 H ATOM 202 2HG LYS A 15 38.732 -6.260 34.313 1.00 -7.98 H ATOM 203 CD LYS A 15 37.588 -5.478 32.666 1.00 -7.98 C ATOM 204 1HD LYS A 15 36.768 -6.183 32.787 1.00 -7.98 H ATOM 205 2HD LYS A 15 37.175 -4.519 32.356 1.00 -7.98 H ATOM 206 CE LYS A 15 38.475 -6.020 31.573 1.00 -7.98 C ATOM 207 1HE LYS A 15 39.250 -5.294 31.320 1.00 -7.98 H ATOM 208 2HE LYS A 15 38.932 -6.955 31.910 1.00 -7.98 H ATOM 209 NZ LYS A 15 37.580 -6.291 30.395 1.00 -7.98 N ATOM 210 1HZ LYS A 15 38.116 -6.672 29.629 1.00 -7.98 H ATOM 211 2HZ LYS A 15 37.124 -5.437 30.100 1.00 -7.98 H ATOM 212 3HZ LYS A 15 36.863 -6.960 30.665 1.00 -7.98 H ATOM 213 N SER A 16 37.521 -3.058 37.793 1.00 -2.95 N ATOM 214 H SER A 16 36.521 -3.150 37.911 1.00 -2.95 H ATOM 215 CA SER A 16 38.219 -1.969 38.477 1.00 -2.95 C ATOM 216 HA SER A 16 39.074 -1.668 37.872 1.00 -2.95 H ATOM 217 C SER A 16 38.739 -2.446 39.830 1.00 -2.95 C ATOM 218 O SER A 16 39.610 -1.812 40.434 1.00 -2.95 O ATOM 219 CB SER A 16 37.318 -0.743 38.665 1.00 -2.95 C ATOM 220 1HB SER A 16 37.936 0.089 39.002 1.00 -2.95 H ATOM 221 2HB SER A 16 36.873 -0.479 37.705 1.00 -2.95 H ATOM 222 OG SER A 16 36.291 -0.944 39.623 1.00 -2.95 O ATOM 223 HG SER A 16 35.815 -1.773 39.428 1.00 -2.95 H ATOM 224 N ILE A 17 38.226 -3.575 40.303 1.00 0.11 N ATOM 225 H ILE A 17 37.538 -4.094 39.772 1.00 0.11 H ATOM 226 CA ILE A 17 38.697 -4.155 41.554 1.00 0.11 C ATOM 227 HA ILE A 17 38.871 -3.360 42.277 1.00 0.11 H ATOM 228 C ILE A 17 40.019 -4.791 41.154 1.00 0.11 C ATOM 229 O ILE A 17 40.097 -5.582 40.217 1.00 0.11 O ATOM 230 CB ILE A 17 37.719 -5.209 42.155 1.00 0.11 C ATOM 231 HB ILE A 17 37.640 -6.035 41.455 1.00 0.11 H ATOM 232 CG1 ILE A 17 36.298 -4.625 42.325 1.00 0.11 C ATOM 233 1HG1 ILE A 17 35.912 -4.369 41.341 1.00 0.11 H ATOM 234 2HG1 ILE A 17 35.661 -5.416 42.723 1.00 0.11 H ATOM 235 CG2 ILE A 17 38.268 -5.775 43.488 1.00 0.11 C ATOM 236 1HG2 ILE A 17 37.564 -6.503 43.892 1.00 0.11 H ATOM 237 2HG2 ILE A 17 38.416 -4.976 44.215 1.00 0.11 H ATOM 238 3HG2 ILE A 17 39.218 -6.283 43.314 1.00 0.11 H ATOM 239 CD1 ILE A 17 36.138 -3.384 43.231 1.00 0.11 C ATOM 240 1HD1 ILE A 17 35.084 -3.108 43.269 1.00 0.11 H ATOM 241 2HD1 ILE A 17 36.702 -2.544 42.823 1.00 0.11 H ATOM 242 3HD1 ILE A 17 36.481 -3.604 44.241 1.00 0.11 H ATOM 243 N ARG A 18 41.097 -4.388 41.806 1.00-13.25 N ATOM 244 H ARG A 18 40.999 -3.761 42.585 1.00-13.25 H ATOM 245 CA ARG A 18 42.417 -4.837 41.379 1.00-13.25 C ATOM 246 HA ARG A 18 42.495 -4.673 40.304 1.00-13.25 H ATOM 247 C ARG A 18 42.519 -6.333 41.642 1.00-13.25 C ATOM 248 O ARG A 18 42.132 -6.813 42.701 1.00-13.25 O ATOM 249 CB ARG A 18 43.512 -4.039 42.090 1.00-13.25 C ATOM 250 1HB ARG A 18 43.432 -4.200 43.166 1.00-13.25 H ATOM 251 2HB ARG A 18 44.484 -4.399 41.751 1.00-13.25 H ATOM 252 CG ARG A 18 43.402 -2.543 41.795 1.00-13.25 C ATOM 253 1HG ARG A 18 43.394 -2.397 40.715 1.00-13.25 H ATOM 254 2HG ARG A 18 42.465 -2.165 42.203 1.00-13.25 H ATOM 255 CD ARG A 18 44.547 -1.739 42.393 1.00-13.25 C ATOM 256 1HD ARG A 18 44.609 -1.959 43.460 1.00-13.25 H ATOM 257 2HD ARG A 18 45.485 -2.031 41.919 1.00-13.25 H ATOM 258 NE ARG A 18 44.318 -0.295 42.216 1.00-13.25 N ATOM 259 HE ARG A 18 43.876 0.180 42.988 1.00-13.25 H ATOM 260 CZ ARG A 18 44.620 0.435 41.148 1.00-13.25 C ATOM 261 NH1 ARG A 18 44.312 1.703 41.151 1.00-13.25 N ATOM 262 1HH1 ARG A 18 43.847 2.112 41.945 1.00-13.25 H ATOM 263 2HH1 ARG A 18 44.532 2.278 40.354 1.00-13.25 H ATOM 264 NH2 ARG A 18 45.214 -0.039 40.080 1.00-13.25 N ATOM 265 1HH2 ARG A 18 45.459 -1.014 40.039 1.00-13.25 H ATOM 266 2HH2 ARG A 18 45.415 0.564 39.299 1.00-13.25 H ATOM 267 N GLY A 19 43.001 -7.063 40.648 1.00-11.81 N ATOM 268 H GLY A 19 43.295 -6.619 39.794 1.00-11.81 H ATOM 269 CA GLY A 19 43.074 -8.513 40.740 1.00-11.81 C ATOM 270 1HA GLY A 19 43.918 -8.858 40.142 1.00-11.81 H ATOM 271 2HA GLY A 19 43.245 -8.804 41.776 1.00-11.81 H ATOM 272 C GLY A 19 41.826 -9.214 40.238 1.00-11.81 C ATOM 273 O GLY A 19 41.765 -10.438 40.262 1.00-11.81 O ATOM 274 N TYR A 20 40.840 -8.477 39.751 1.00 4.45 N ATOM 275 H TYR A 20 40.897 -7.460 39.740 1.00 4.45 H ATOM 276 CA TYR A 20 39.636 -9.061 39.165 1.00 4.45 C ATOM 277 HA TYR A 20 39.675 -10.145 39.177 1.00 4.45 H ATOM 278 C TYR A 20 39.624 -8.586 37.723 1.00 4.45 C ATOM 279 O TYR A 20 40.005 -7.459 37.436 1.00 4.45 O ATOM 280 CB TYR A 20 38.382 -8.591 39.902 1.00 4.45 C ATOM 281 1HB TYR A 20 38.464 -7.524 40.076 1.00 4.45 H ATOM 282 2HB TYR A 20 37.519 -8.765 39.260 1.00 4.45 H ATOM 283 CG TYR A 20 38.134 -9.297 41.220 1.00 4.45 C ATOM 284 CD1 TYR A 20 39.011 -9.155 42.317 1.00 4.45 C ATOM 285 HD1 TYR A 20 39.863 -8.492 42.247 1.00 4.45 H ATOM 286 CD2 TYR A 20 37.010 -10.129 41.371 1.00 4.45 C ATOM 287 HD2 TYR A 20 36.320 -10.228 40.550 1.00 4.45 H ATOM 288 CE1 TYR A 20 38.794 -9.880 43.519 1.00 4.45 C ATOM 289 HE1 TYR A 20 39.476 -9.775 44.349 1.00 4.45 H ATOM 290 CE2 TYR A 20 36.781 -10.847 42.571 1.00 4.45 C ATOM 291 HE2 TYR A 20 35.917 -11.489 42.664 1.00 4.45 H ATOM 292 CZ TYR A 20 37.685 -10.723 43.629 1.00 4.45 C ATOM 293 OH TYR A 20 37.483 -11.432 44.785 1.00 4.45 O ATOM 294 HH TYR A 20 36.675 -11.947 44.765 1.00 4.45 H ATOM 295 N CYS A 21 39.237 -9.462 36.807 1.00 28.62 N ATOM 296 H CYS A 21 38.915 -10.378 37.103 1.00 28.62 H ATOM 297 CA CYS A 21 39.298 -9.141 35.379 1.00 28.62 C ATOM 298 HA CYS A 21 39.765 -8.166 35.249 1.00 28.62 H ATOM 299 C CYS A 21 37.924 -9.040 34.734 1.00 28.62 C ATOM 300 O CYS A 21 37.814 -8.758 33.541 1.00 28.62 O ATOM 301 CB CYS A 21 40.180 -10.147 34.635 1.00 28.62 C ATOM 302 1HB CYS A 21 39.977 -11.154 34.999 1.00 28.62 H ATOM 303 2HB CYS A 21 39.942 -10.106 33.572 1.00 28.62 H ATOM 304 SG CYS A 21 41.950 -9.749 34.825 1.00 28.62 S ATOM 305 N GLY A 22 36.869 -9.234 35.509 1.00 5.50 N ATOM 306 H GLY A 22 36.969 -9.497 36.481 1.00 5.50 H ATOM 307 CA GLY A 22 35.534 -9.068 34.967 1.00 5.50 C ATOM 308 1HA GLY A 22 35.357 -8.011 34.762 1.00 5.50 H ATOM 309 2HA GLY A 22 35.460 -9.622 34.032 1.00 5.50 H ATOM 310 C GLY A 22 34.462 -9.577 35.899 1.00 5.50 C ATOM 311 O GLY A 22 34.746 -10.027 37.010 1.00 5.50 O ATOM 312 N GLY A 23 33.226 -9.516 35.435 1.00 13.02 N ATOM 313 H GLY A 23 33.035 -9.127 34.520 1.00 13.02 H ATOM 314 CA GLY A 23 32.085 -9.988 36.193 1.00 13.02 C ATOM 315 1HA GLY A 23 32.193 -11.040 36.431 1.00 13.02 H ATOM 316 2HA GLY A 23 31.971 -9.415 37.109 1.00 13.02 H ATOM 317 C GLY A 23 30.873 -9.793 35.321 1.00 13.02 C ATOM 318 O GLY A 23 31.045 -9.391 34.166 1.00 13.02 O ATOM 319 N TYR A 24 29.690 -10.076 35.840 1.00 -5.17 N ATOM 320 H TYR A 24 29.631 -10.446 36.790 1.00 -5.17 H ATOM 321 CA TYR A 24 28.434 -9.844 35.136 1.00 -5.17 C ATOM 322 HA TYR A 24 28.469 -8.880 34.627 1.00 -5.17 H ATOM 323 C TYR A 24 27.361 -9.796 36.214 1.00 -5.17 C ATOM 324 O TYR A 24 27.611 -10.179 37.360 1.00 -5.17 O ATOM 325 CB TYR A 24 28.145 -10.935 34.094 1.00 -5.17 C ATOM 326 1HB TYR A 24 27.128 -10.809 33.727 1.00 -5.17 H ATOM 327 2HB TYR A 24 28.822 -10.782 33.255 1.00 -5.17 H ATOM 328 CG TYR A 24 28.315 -12.363 34.562 1.00 -5.17 C ATOM 329 CD1 TYR A 24 27.265 -13.045 35.207 1.00 -5.17 C ATOM 330 HD1 TYR A 24 26.334 -12.533 35.409 1.00 -5.17 H ATOM 331 CD2 TYR A 24 29.514 -13.062 34.303 1.00 -5.17 C ATOM 332 HD2 TYR A 24 30.333 -12.559 33.809 1.00 -5.17 H ATOM 333 CE1 TYR A 24 27.410 -14.410 35.583 1.00 -5.17 C ATOM 334 HE1 TYR A 24 26.603 -14.935 36.068 1.00 -5.17 H ATOM 335 CE2 TYR A 24 29.655 -14.428 34.671 1.00 -5.17 C ATOM 336 HE2 TYR A 24 30.576 -14.952 34.466 1.00 -5.17 H ATOM 337 CZ TYR A 24 28.601 -15.083 35.312 1.00 -5.17 C ATOM 338 OH TYR A 24 28.728 -16.398 35.680 1.00 -5.17 O ATOM 339 HH TYR A 24 29.587 -16.760 35.455 1.00 -5.17 H ATOM 340 N CYS A 25 26.182 -9.298 35.878 1.00 8.20 N ATOM 341 H CYS A 25 26.013 -9.004 34.920 1.00 8.20 H ATOM 342 CA CYS A 25 25.108 -9.172 36.855 1.00 8.20 C ATOM 343 HA CYS A 25 25.509 -8.748 37.772 1.00 8.20 H ATOM 344 C CYS A 25 24.504 -10.534 37.162 1.00 8.20 C ATOM 345 O CYS A 25 23.904 -11.153 36.283 1.00 8.20 O ATOM 346 CB CYS A 25 24.030 -8.247 36.309 1.00 8.20 C ATOM 347 1HB CYS A 25 23.612 -8.696 35.413 1.00 8.20 H ATOM 348 2HB CYS A 25 23.245 -8.138 37.052 1.00 8.20 H ATOM 349 SG CYS A 25 24.688 -6.607 35.909 1.00 8.20 S ATOM 350 N ALA A 26 24.674 -10.997 38.393 1.00 16.68 N ATOM 351 H ALA A 26 25.128 -10.412 39.087 1.00 16.68 H ATOM 352 CA ALA A 26 24.252 -12.330 38.807 1.00 16.68 C ATOM 353 HA ALA A 26 23.282 -12.565 38.366 1.00 16.68 H ATOM 354 C ALA A 26 24.139 -12.350 40.328 1.00 16.68 C ATOM 355 O ALA A 26 24.624 -11.445 41.003 1.00 16.68 O ATOM 356 CB ALA A 26 25.283 -13.366 38.341 1.00 16.68 C ATOM 357 1HB ALA A 26 25.272 -13.415 37.253 1.00 16.68 H ATOM 358 2HB ALA A 26 25.042 -14.353 38.736 1.00 16.68 H ATOM 359 3HB ALA A 26 26.283 -13.081 38.672 1.00 16.68 H ATOM 360 N GLY A 27 23.516 -13.392 40.858 1.00 22.93 N ATOM 361 H GLY A 27 23.109 -14.089 40.252 1.00 22.93 H ATOM 362 CA GLY A 27 23.455 -13.611 42.297 1.00 22.93 C ATOM 363 1HA GLY A 27 23.290 -14.674 42.474 1.00 22.93 H ATOM 364 2HA GLY A 27 24.424 -13.352 42.722 1.00 22.93 H ATOM 365 C GLY A 27 22.394 -12.844 43.061 1.00 22.93 C ATOM 366 O GLY A 27 21.930 -13.316 44.088 1.00 22.93 O ATOM 367 N TRP A 28 21.991 -11.679 42.576 1.00 -0.65 N ATOM 368 H TRP A 28 22.432 -11.311 41.746 1.00 -0.65 H ATOM 369 CA TRP A 28 20.958 -10.880 43.239 1.00 -0.65 C ATOM 370 HA TRP A 28 20.261 -11.547 43.747 1.00 -0.65 H ATOM 371 C TRP A 28 20.173 -10.058 42.217 1.00 -0.65 C ATOM 372 O TRP A 28 20.569 -8.953 41.856 1.00 -0.65 O ATOM 373 CB TRP A 28 21.626 -9.996 44.295 1.00 -0.65 C ATOM 374 1HB TRP A 28 22.331 -10.611 44.850 1.00 -0.65 H ATOM 375 2HB TRP A 28 22.181 -9.208 43.804 1.00 -0.65 H ATOM 376 CG TRP A 28 20.691 -9.383 45.281 1.00 -0.65 C ATOM 377 CD1 TRP A 28 20.179 -9.971 46.394 1.00 -0.65 C ATOM 378 HD1 TRP A 28 20.379 -10.995 46.687 1.00 -0.65 H ATOM 379 CD2 TRP A 28 20.169 -8.042 45.280 1.00 -0.65 C ATOM 380 NE1 TRP A 28 19.390 -9.105 47.101 1.00 -0.65 N ATOM 381 HE1 TRP A 28 18.912 -9.336 47.960 1.00 -0.65 H ATOM 382 CE2 TRP A 28 19.359 -7.905 46.444 1.00 -0.65 C ATOM 383 CE3 TRP A 28 20.306 -6.935 44.416 1.00 -0.65 C ATOM 384 HE3 TRP A 28 20.908 -7.010 43.525 1.00 -0.65 H ATOM 385 CZ2 TRP A 28 18.677 -6.711 46.752 1.00 -0.65 C ATOM 386 HZ2 TRP A 28 18.062 -6.637 47.636 1.00 -0.65 H ATOM 387 CZ3 TRP A 28 19.630 -5.727 44.729 1.00 -0.65 C ATOM 388 HZ3 TRP A 28 19.730 -4.871 44.078 1.00 -0.65 H ATOM 389 CH2 TRP A 28 18.815 -5.635 45.894 1.00 -0.65 C ATOM 390 HH2 TRP A 28 18.302 -4.709 46.113 1.00 -0.65 H ATOM 391 N PHE A 29 19.125 -10.673 41.675 1.00 2.43 N ATOM 392 H PHE A 29 18.934 -11.618 41.972 1.00 2.43 H ATOM 393 CA PHE A 29 18.166 -10.075 40.723 1.00 2.43 C ATOM 394 HA PHE A 29 17.523 -10.887 40.383 1.00 2.43 H ATOM 395 C PHE A 29 18.706 -9.390 39.459 1.00 2.43 C ATOM 396 O PHE A 29 18.027 -8.573 38.855 1.00 2.43 O ATOM 397 CB PHE A 29 17.263 -9.083 41.468 1.00 2.43 C ATOM 398 1HB PHE A 29 17.841 -8.191 41.707 1.00 2.43 H ATOM 399 2HB PHE A 29 16.439 -8.792 40.816 1.00 2.43 H ATOM 400 CG PHE A 29 16.683 -9.632 42.741 1.00 2.43 C ATOM 401 CD1 PHE A 29 17.018 -9.056 43.978 1.00 2.43 C ATOM 402 HD1 PHE A 29 17.684 -8.205 44.013 1.00 2.43 H ATOM 403 CD2 PHE A 29 15.790 -10.719 42.711 1.00 2.43 C ATOM 404 HD2 PHE A 29 15.501 -11.156 41.765 1.00 2.43 H ATOM 405 CE1 PHE A 29 16.484 -9.569 45.184 1.00 2.43 C ATOM 406 HE1 PHE A 29 16.739 -9.111 46.127 1.00 2.43 H ATOM 407 CE2 PHE A 29 15.257 -11.253 43.911 1.00 2.43 C ATOM 408 HE2 PHE A 29 14.577 -12.092 43.877 1.00 2.43 H ATOM 409 CZ PHE A 29 15.608 -10.676 45.151 1.00 2.43 C ATOM 410 HZ PHE A 29 15.201 -11.074 46.070 1.00 2.43 H ATOM 411 N ARG A 30 19.959 -9.669 39.113 1.00 20.33 N ATOM 412 H ARG A 30 20.429 -10.398 39.619 1.00 20.33 H ATOM 413 CA ARG A 30 20.742 -8.874 38.152 1.00 20.33 C ATOM 414 HA ARG A 30 21.774 -9.216 38.210 1.00 20.33 H ATOM 415 C ARG A 30 20.758 -7.376 38.481 1.00 20.33 C ATOM 416 O ARG A 30 20.880 -6.545 37.589 1.00 20.33 O ATOM 417 CB ARG A 30 20.293 -9.046 36.693 1.00 20.33 C ATOM 418 1HB ARG A 30 19.264 -8.704 36.580 1.00 20.33 H ATOM 419 2HB ARG A 30 20.924 -8.396 36.099 1.00 20.33 H ATOM 420 CG ARG A 30 20.422 -10.441 36.104 1.00 20.33 C ATOM 421 1HG ARG A 30 21.384 -10.859 36.386 1.00 20.33 H ATOM 422 2HG ARG A 30 19.630 -11.076 36.502 1.00 20.33 H ATOM 423 CD ARG A 30 20.333 -10.402 34.565 1.00 20.33 C ATOM 424 1HD ARG A 30 20.323 -11.430 34.199 1.00 20.33 H ATOM 425 2HD ARG A 30 19.395 -9.930 34.273 1.00 20.33 H ATOM 426 NE ARG A 30 21.472 -9.693 33.943 1.00 20.33 N ATOM 427 HE ARG A 30 22.327 -10.225 33.858 1.00 20.33 H ATOM 428 CZ ARG A 30 21.492 -8.431 33.519 1.00 20.33 C ATOM 429 NH1 ARG A 30 22.616 -7.908 33.122 1.00 20.33 N ATOM 430 1HH1 ARG A 30 23.467 -8.457 33.102 1.00 20.33 H ATOM 431 2HH1 ARG A 30 22.638 -6.925 32.872 1.00 20.33 H ATOM 432 NH2 ARG A 30 20.449 -7.640 33.496 1.00 20.33 N ATOM 433 1HH2 ARG A 30 19.551 -7.981 33.797 1.00 20.33 H ATOM 434 2HH2 ARG A 30 20.557 -6.684 33.193 1.00 20.33 H ATOM 435 N LEU A 31 20.674 -7.029 39.756 1.00 6.75 N ATOM 436 H LEU A 31 20.521 -7.749 40.461 1.00 6.75 H ATOM 437 CA LEU A 31 20.772 -5.639 40.210 1.00 6.75 C ATOM 438 HA LEU A 31 20.833 -4.975 39.350 1.00 6.75 H ATOM 439 C LEU A 31 22.048 -5.472 41.028 1.00 6.75 C ATOM 440 O LEU A 31 22.264 -4.448 41.682 1.00 6.75 O ATOM 441 CB LEU A 31 19.543 -5.260 41.042 1.00 6.75 C ATOM 442 1HB LEU A 31 19.491 -5.946 41.884 1.00 6.75 H ATOM 443 2HB LEU A 31 19.696 -4.257 41.437 1.00 6.75 H ATOM 444 CG LEU A 31 18.175 -5.275 40.344 1.00 6.75 C ATOM 445 HG LEU A 31 17.998 -6.269 39.948 1.00 6.75 H ATOM 446 CD1 LEU A 31 17.088 -4.975 41.370 1.00 6.75 C ATOM 447 1HD1 LEU A 31 16.109 -5.044 40.894 1.00 6.75 H ATOM 448 2HD1 LEU A 31 17.215 -3.975 41.785 1.00 6.75 H ATOM 449 3HD1 LEU A 31 17.126 -5.709 42.176 1.00 6.75 H ATOM 450 CD2 LEU A 31 18.092 -4.274 39.186 1.00 6.75 C ATOM 451 1HD2 LEU A 31 17.090 -4.305 38.755 1.00 6.75 H ATOM 452 2HD2 LEU A 31 18.801 -4.550 38.406 1.00 6.75 H ATOM 453 3HD2 LEU A 31 18.298 -3.264 39.539 1.00 6.75 H ATOM 454 N ARG A 32 22.895 -6.490 40.966 1.00 4.76 N ATOM 455 H ARG A 32 22.663 -7.290 40.394 1.00 4.76 H ATOM 456 CA ARG A 32 24.182 -6.529 41.654 1.00 4.76 C ATOM 457 HA ARG A 32 24.600 -5.528 41.750 1.00 4.76 H ATOM 458 C ARG A 32 25.061 -7.408 40.782 1.00 4.76 C ATOM 459 O ARG A 32 24.546 -8.320 40.127 1.00 4.76 O ATOM 460 CB ARG A 32 24.009 -7.201 43.018 1.00 4.76 C ATOM 461 1HB ARG A 32 23.135 -6.776 43.509 1.00 4.76 H ATOM 462 2HB ARG A 32 23.808 -8.252 42.822 1.00 4.76 H ATOM 463 CG ARG A 32 25.182 -7.105 43.994 1.00 4.76 C ATOM 464 1HG ARG A 32 26.127 -7.157 43.458 1.00 4.76 H ATOM 465 2HG ARG A 32 25.126 -6.155 44.521 1.00 4.76 H ATOM 466 CD ARG A 32 25.131 -8.245 44.999 1.00 4.76 C ATOM 467 1HD ARG A 32 25.784 -8.007 45.841 1.00 4.76 H ATOM 468 2HD ARG A 32 24.108 -8.363 45.359 1.00 4.76 H ATOM 469 NE ARG A 32 25.598 -9.490 44.369 1.00 4.76 N ATOM 470 HE ARG A 32 26.075 -9.394 43.472 1.00 4.76 H ATOM 471 CZ ARG A 32 25.506 -10.718 44.854 1.00 4.76 C ATOM 472 NH1 ARG A 32 26.028 -11.691 44.162 1.00 4.76 N ATOM 473 1HH1 ARG A 32 26.460 -11.494 43.266 1.00 4.76 H ATOM 474 2HH1 ARG A 32 26.013 -12.634 44.512 1.00 4.76 H ATOM 475 NH2 ARG A 32 24.923 -11.011 45.989 1.00 4.76 N ATOM 476 1HH2 ARG A 32 24.523 -10.274 46.546 1.00 4.76 H ATOM 477 2HH2 ARG A 32 24.863 -11.967 46.301 1.00 4.76 H ATOM 478 N CYS A 33 26.358 -7.155 40.790 1.00 14.41 N ATOM 479 H CYS A 33 26.708 -6.363 41.301 1.00 14.41 H ATOM 480 CA CYS A 33 27.323 -8.014 40.118 1.00 14.41 C ATOM 481 HA CYS A 33 26.983 -8.243 39.111 1.00 14.41 H ATOM 482 C CYS A 33 27.567 -9.316 40.869 1.00 14.41 C ATOM 483 O CYS A 33 27.297 -9.428 42.067 1.00 14.41 O ATOM 484 CB CYS A 33 28.664 -7.287 40.040 1.00 14.41 C ATOM 485 1HB CYS A 33 28.975 -6.997 41.043 1.00 14.41 H ATOM 486 2HB CYS A 33 29.411 -7.971 39.636 1.00 14.41 H ATOM 487 SG CYS A 33 28.624 -5.821 38.974 1.00 14.41 S ATOM 488 N THR A 34 28.213 -10.244 40.186 1.00-14.61 N ATOM 489 H THR A 34 28.209 -10.223 39.162 1.00-14.61 H ATOM 490 CA THR A 34 29.110 -11.202 40.816 1.00-14.61 C ATOM 491 HA THR A 34 29.281 -10.929 41.857 1.00-14.61 H ATOM 492 C THR A 34 30.392 -11.002 40.013 1.00-14.61 C ATOM 493 O THR A 34 30.324 -10.846 38.794 1.00-14.61 O ATOM 494 CB THR A 34 28.547 -12.632 40.749 1.00-14.61 C ATOM 495 HB THR A 34 28.449 -12.938 39.707 1.00-14.61 H ATOM 496 OG1 THR A 34 27.262 -12.640 41.379 1.00-14.61 O ATOM 497 HG1 THR A 34 26.715 -11.977 40.942 1.00-14.61 H ATOM 498 CG2 THR A 34 29.416 -13.624 41.502 1.00-14.61 C ATOM 499 1HG2 THR A 34 28.954 -14.609 41.449 1.00-14.61 H ATOM 500 2HG2 THR A 34 29.506 -13.329 42.547 1.00-14.61 H ATOM 501 3HG2 THR A 34 30.407 -13.677 41.047 1.00-14.61 H ATOM 502 N CYS A 35 31.526 -10.903 40.694 1.00-10.84 N ATOM 503 H CYS A 35 31.536 -11.094 41.682 1.00-10.84 H ATOM 504 CA CYS A 35 32.799 -10.547 40.072 1.00-10.84 C ATOM 505 HA CYS A 35 32.655 -10.301 39.023 1.00-10.84 H ATOM 506 C CYS A 35 33.741 -11.734 40.186 1.00-10.84 C ATOM 507 O CYS A 35 33.618 -12.511 41.133 1.00-10.84 O ATOM 508 CB CYS A 35 33.422 -9.354 40.803 1.00-10.84 C ATOM 509 1HB CYS A 35 33.621 -9.647 41.834 1.00-10.84 H ATOM 510 2HB CYS A 35 34.379 -9.124 40.333 1.00-10.84 H ATOM 511 SG CYS A 35 32.419 -7.830 40.826 1.00-10.84 S ATOM 512 N TYR A 36 34.678 -11.865 39.258 1.00-19.36 N ATOM 513 H TYR A 36 34.768 -11.171 38.514 1.00-19.36 H ATOM 514 CA TYR A 36 35.575 -13.016 39.227 1.00-19.36 C ATOM 515 HA TYR A 36 35.417 -13.604 40.129 1.00-19.36 H ATOM 516 C TYR A 36 37.034 -12.581 39.204 1.00-19.36 C ATOM 517 O TYR A 36 37.428 -11.649 38.487 1.00-19.36 O ATOM 518 CB TYR A 36 35.226 -13.898 38.026 1.00-19.36 C ATOM 519 1HB TYR A 36 35.449 -13.355 37.107 1.00-19.36 H ATOM 520 2HB TYR A 36 35.829 -14.805 38.057 1.00-19.36 H ATOM 521 CG TYR A 36 33.755 -14.264 38.036 1.00-19.36 C ATOM 522 CD1 TYR A 36 32.829 -13.522 37.277 1.00-19.36 C ATOM 523 HD1 TYR A 36 33.191 -12.758 36.607 1.00-19.36 H ATOM 524 CD2 TYR A 36 33.267 -15.296 38.865 1.00-19.36 C ATOM 525 HD2 TYR A 36 33.956 -15.893 39.444 1.00-19.36 H ATOM 526 CE1 TYR A 36 31.434 -13.744 37.407 1.00-19.36 C ATOM 527 HE1 TYR A 36 30.727 -13.134 36.866 1.00-19.36 H ATOM 528 CE2 TYR A 36 31.869 -15.548 38.966 1.00-19.36 C ATOM 529 HE2 TYR A 36 31.507 -16.339 39.605 1.00-19.36 H ATOM 530 CZ TYR A 36 30.969 -14.756 38.246 1.00-19.36 C ATOM 531 OH TYR A 36 29.621 -14.972 38.358 1.00-19.36 O ATOM 532 HH TYR A 36 29.411 -15.733 38.900 1.00-19.36 H ATOM 533 N ARG A 37 37.813 -13.241 40.051 1.00 -7.59 N ATOM 534 H ARG A 37 37.421 -13.992 40.592 1.00 -7.59 H ATOM 535 CA ARG A 37 39.231 -12.937 40.214 1.00 -7.59 C ATOM 536 HA ARG A 37 39.356 -11.869 40.391 1.00 -7.59 H ATOM 537 C ARG A 37 39.928 -13.321 38.912 1.00 -7.59 C ATOM 538 O ARG A 37 39.489 -14.236 38.220 1.00 -7.59 O ATOM 539 CB ARG A 37 39.807 -13.716 41.407 1.00 -7.59 C ATOM 540 1HB ARG A 37 39.142 -13.592 42.262 1.00 -7.59 H ATOM 541 2HB ARG A 37 39.843 -14.774 41.144 1.00 -7.59 H ATOM 542 CG ARG A 37 41.206 -13.262 41.820 1.00 -7.59 C ATOM 543 1HG ARG A 37 41.845 -13.280 40.943 1.00 -7.59 H ATOM 544 2HG ARG A 37 41.158 -12.236 42.186 1.00 -7.59 H ATOM 545 CD ARG A 37 41.869 -14.135 42.871 1.00 -7.59 C ATOM 546 1HD ARG A 37 41.382 -13.983 43.836 1.00 -7.59 H ATOM 547 2HD ARG A 37 41.777 -15.183 42.584 1.00 -7.59 H ATOM 548 NE ARG A 37 43.292 -13.768 42.950 1.00 -7.59 N ATOM 549 HE ARG A 37 43.546 -13.069 43.625 1.00 -7.59 H ATOM 550 CZ ARG A 37 44.258 -14.231 42.161 1.00 -7.59 C ATOM 551 NH1 ARG A 37 45.424 -13.655 42.163 1.00 -7.59 N ATOM 552 1HH1 ARG A 37 45.647 -12.913 42.798 1.00 -7.59 H ATOM 553 2HH1 ARG A 37 46.090 -13.937 41.440 1.00 -7.59 H ATOM 554 NH2 ARG A 37 44.114 -15.231 41.340 1.00 -7.59 N ATOM 555 1HH2 ARG A 37 43.226 -15.687 41.223 1.00 -7.59 H ATOM 556 2HH2 ARG A 37 44.898 -15.477 40.737 1.00 -7.59 H ATOM 557 N CYS A 38 40.995 -12.613 38.593 1.00 29.54 N ATOM 558 H CYS A 38 41.294 -11.865 39.214 1.00 29.54 H ATOM 559 CA CYS A 38 41.849 -12.924 37.458 1.00 29.54 C ATOM 560 HA CYS A 38 41.244 -13.280 36.624 1.00 29.54 H ATOM 561 C CYS A 38 42.836 -14.017 37.890 1.00 29.54 C ATOM 562 O CYS A 38 42.583 -14.727 38.866 1.00 29.54 O ATOM 563 CB CYS A 38 42.586 -11.647 37.051 1.00 29.54 C ATOM 564 1HB CYS A 38 41.986 -10.794 37.364 1.00 29.54 H ATOM 565 2HB CYS A 38 43.544 -11.590 37.573 1.00 29.54 H ATOM 566 SG CYS A 38 42.845 -11.517 35.255 1.00 29.54 S ATOM 567 N GLY A 39 43.968 -14.115 37.206 1.00 1.21 N ATOM 568 H GLY A 39 44.124 -13.530 36.403 1.00 1.21 H ATOM 569 CA GLY A 39 45.068 -14.945 37.679 1.00 1.21 C ATOM 570 1HA GLY A 39 44.687 -15.907 38.015 1.00 1.21 H ATOM 571 2HA GLY A 39 45.796 -15.098 36.884 1.00 1.21 H ATOM 572 C GLY A 39 45.750 -14.257 38.843 1.00 1.21 C ATOM 573 O GLY A 39 46.399 -14.945 39.659 1.00 1.21 O ATOM 574 OXT GLY A 39 45.576 -13.031 38.991 1.00 1.21 O TER 575 GLY A 39 CONECT 46 43 349 CONECT 129 126 487 CONECT 190 187 511 CONECT 304 301 566 CONECT 349 46 346 CONECT 487 129 484 CONECT 511 190 508 CONECT 566 304 563 END
SEQUENCE	GFGCPNNYACHQHCKSIRGYCGGYCAGWFRLRCTCYRCG
HELICITY	15.40	INSTAB. INDEX	49.14	FLEXIBILITY	16.70
a HYD. MOM.	47.44	b HYD. MOM.	19.61	c HYD. MOM	4.82
a MEAN HYD. MOM.	1.22	b MEAN HYD. MOM.	0.50	c MEAN HYD. MOM.	0.12
CHARGE pH5	6.82	CHARGE pH7	4.82	CHARGE pH9	-2.15
Δ CHARGE pH5-pH9	8.97	ISOELECTRIC POINT	8.92	BOMAN INDEX	1.57
ΔG	16	CPP	-0,30	MLP	-3,57
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	1999
TITLE PAPER	Mussel defensins are synthesized and processed in granulocytes then released into the plasma after bacterial challenge