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ID	2261	NAME	Defensin_9   Blast NCBI-PROT
LENGTH	38	DISULFIDE BRIDGE	3		View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\GFGCPLNQGACHNHCRSIRRRGGYCSGIIKQTCTCYRN.pdb REMARK YASARA Written on: Wed May 14 17:57:39 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 570 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN; COMPND 3 CHAIN: A; SEQRES 1 A 38 GLY PHE GLY CYS PRO LEU ASN GLN GLY ALA CYS HIS ASN SEQRES 2 A 38 HIS CYS ARG SER ILE ARG ARG ARG GLY GLY TYR CYS SER SEQRES 3 A 38 GLY ILE ILE LYS GLN THR CYS THR CYS TYR ARG ASN 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 2.02 SSBOND 3 CYS A 11 CYS A 33 2.03 SSBOND 5 CYS A 15 CYS A 35 2.03 ATOM 1 N GLY A 1 -0.048 -37.851 -15.996 1.00-16.54 N ATOM 2 1H GLY A 1 -0.920 -37.949 -15.496 1.00-16.54 H ATOM 3 2H GLY A 1 -0.152 -37.142 -16.710 1.00-16.54 H ATOM 4 3H GLY A 1 0.684 -37.575 -15.357 1.00-16.54 H ATOM 5 CA GLY A 1 0.309 -39.140 -16.634 1.00-16.54 C ATOM 6 1HA GLY A 1 0.398 -39.909 -15.869 1.00-16.54 H ATOM 7 2HA GLY A 1 -0.472 -39.417 -17.335 1.00-16.54 H ATOM 8 C GLY A 1 1.611 -39.031 -17.376 1.00-16.54 C ATOM 9 O GLY A 1 2.419 -38.196 -17.009 1.00-16.54 O ATOM 10 N PHE A 2 1.826 -39.853 -18.397 1.00 0.84 N ATOM 11 H PHE A 2 1.108 -40.507 -18.666 1.00 0.84 H ATOM 12 CA PHE A 2 3.088 -39.935 -19.149 1.00 0.84 C ATOM 13 HA PHE A 2 3.905 -39.986 -18.428 1.00 0.84 H ATOM 14 C PHE A 2 3.390 -38.776 -20.115 1.00 0.84 C ATOM 15 O PHE A 2 3.962 -38.959 -21.184 1.00 0.84 O ATOM 16 CB PHE A 2 3.078 -41.243 -19.946 1.00 0.84 C ATOM 17 1HB PHE A 2 2.648 -41.062 -20.930 1.00 0.84 H ATOM 18 2HB PHE A 2 4.107 -41.573 -20.077 1.00 0.84 H ATOM 19 CG PHE A 2 2.280 -42.344 -19.301 1.00 0.84 C ATOM 20 CD1 PHE A 2 1.026 -42.707 -19.830 1.00 0.84 C ATOM 21 HD1 PHE A 2 0.659 -42.219 -20.718 1.00 0.84 H ATOM 22 CD2 PHE A 2 2.769 -43.023 -18.172 1.00 0.84 C ATOM 23 HD2 PHE A 2 3.744 -42.776 -17.775 1.00 0.84 H ATOM 24 CE1 PHE A 2 0.243 -43.715 -19.221 1.00 0.84 C ATOM 25 HE1 PHE A 2 -0.716 -43.989 -19.639 1.00 0.84 H ATOM 26 CE2 PHE A 2 1.997 -44.034 -17.546 1.00 0.84 C ATOM 27 HE2 PHE A 2 2.380 -44.547 -16.675 1.00 0.84 H ATOM 28 CZ PHE A 2 0.728 -44.377 -18.070 1.00 0.84 C ATOM 29 HZ PHE A 2 0.137 -45.150 -17.599 1.00 0.84 H ATOM 30 N GLY A 3 2.949 -37.582 -19.757 1.00 31.46 N ATOM 31 H GLY A 3 2.550 -37.457 -18.834 1.00 31.46 H ATOM 32 CA GLY A 3 3.039 -36.426 -20.627 1.00 31.46 C ATOM 33 1HA GLY A 3 3.897 -35.819 -20.341 1.00 31.46 H ATOM 34 2HA GLY A 3 3.137 -36.739 -21.666 1.00 31.46 H ATOM 35 C GLY A 3 1.784 -35.607 -20.472 1.00 31.46 C ATOM 36 O GLY A 3 1.813 -34.530 -19.898 1.00 31.46 O ATOM 37 N CYS A 4 0.656 -36.153 -20.895 1.00 42.83 N ATOM 38 H CYS A 4 0.668 -37.053 -21.347 1.00 42.83 H ATOM 39 CA CYS A 4 -0.609 -35.470 -20.663 1.00 42.83 C ATOM 40 HA CYS A 4 -0.490 -34.440 -20.984 1.00 42.83 H ATOM 41 C CYS A 4 -0.877 -35.496 -19.149 1.00 42.83 C ATOM 42 O CYS A 4 -0.378 -36.401 -18.461 1.00 42.83 O ATOM 43 CB CYS A 4 -1.745 -36.093 -21.471 1.00 42.83 C ATOM 44 1HB CYS A 4 -1.377 -36.938 -22.050 1.00 42.83 H ATOM 45 2HB CYS A 4 -2.519 -36.443 -20.789 1.00 42.83 H ATOM 46 SG CYS A 4 -2.456 -34.841 -22.589 1.00 42.83 S ATOM 47 N PRO A 5 -1.633 -34.526 -18.596 1.00 19.63 N ATOM 48 CA PRO A 5 -2.367 -33.423 -19.236 1.00 19.63 C ATOM 49 HA PRO A 5 -3.080 -33.828 -19.950 1.00 19.63 H ATOM 50 C PRO A 5 -1.498 -32.402 -19.965 1.00 19.63 C ATOM 51 O PRO A 5 -0.349 -32.174 -19.612 1.00 19.63 O ATOM 52 CB PRO A 5 -3.135 -32.798 -18.070 1.00 19.63 C ATOM 53 1HB PRO A 5 -3.273 -31.727 -18.221 1.00 19.63 H ATOM 54 2HB PRO A 5 -4.098 -33.294 -17.948 1.00 19.63 H ATOM 55 CG PRO A 5 -2.283 -33.069 -16.896 1.00 19.63 C ATOM 56 1HG PRO A 5 -1.442 -32.374 -16.875 1.00 19.63 H ATOM 57 2HG PRO A 5 -2.858 -33.003 -15.972 1.00 19.63 H ATOM 58 CD PRO A 5 -1.800 -34.476 -17.131 1.00 19.63 C ATOM 59 1HD PRO A 5 -0.850 -34.638 -16.620 1.00 19.63 H ATOM 60 2HD PRO A 5 -2.546 -35.199 -16.804 1.00 19.63 H ATOM 61 N LEU A 6 -2.074 -31.861 -21.034 1.00-12.79 N ATOM 62 H LEU A 6 -3.017 -32.151 -21.244 1.00-12.79 H ATOM 63 CA LEU A 6 -1.470 -30.900 -21.973 1.00-12.79 C ATOM 64 HA LEU A 6 -2.252 -30.644 -22.687 1.00-12.79 H ATOM 65 C LEU A 6 -0.284 -31.369 -22.827 1.00-12.79 C ATOM 66 O LEU A 6 -0.265 -31.107 -24.031 1.00-12.79 O ATOM 67 CB LEU A 6 -1.083 -29.591 -21.262 1.00-12.79 C ATOM 68 1HB LEU A 6 -0.275 -29.812 -20.567 1.00-12.79 H ATOM 69 2HB LEU A 6 -0.679 -28.916 -22.016 1.00-12.79 H ATOM 70 CG LEU A 6 -2.168 -28.827 -20.485 1.00-12.79 C ATOM 71 HG LEU A 6 -2.613 -29.499 -19.751 1.00-12.79 H ATOM 72 CD1 LEU A 6 -1.533 -27.661 -19.733 1.00-12.79 C ATOM 73 1HD1 LEU A 6 -2.293 -27.141 -19.150 1.00-12.79 H ATOM 74 2HD1 LEU A 6 -1.075 -26.961 -20.433 1.00-12.79 H ATOM 75 3HD1 LEU A 6 -0.771 -28.038 -19.049 1.00-12.79 H ATOM 76 CD2 LEU A 6 -3.283 -28.302 -21.394 1.00-12.79 C ATOM 77 1HD2 LEU A 6 -4.006 -27.740 -20.802 1.00-12.79 H ATOM 78 2HD2 LEU A 6 -3.801 -29.133 -21.870 1.00-12.79 H ATOM 79 3HD2 LEU A 6 -2.866 -27.648 -22.162 1.00-12.79 H ATOM 80 N ASN A 7 0.715 -32.034 -22.263 1.00 16.55 N ATOM 81 H ASN A 7 0.651 -32.299 -21.280 1.00 16.55 H ATOM 82 CA ASN A 7 1.946 -32.308 -23.010 1.00 16.55 C ATOM 83 HA ASN A 7 2.118 -31.426 -23.627 1.00 16.55 H ATOM 84 C ASN A 7 1.898 -33.496 -23.984 1.00 16.55 C ATOM 85 O ASN A 7 2.357 -34.613 -23.715 1.00 16.55 O ATOM 86 CB ASN A 7 3.148 -32.400 -22.068 1.00 16.55 C ATOM 87 1HB ASN A 7 3.046 -31.639 -21.295 1.00 16.55 H ATOM 88 2HB ASN A 7 3.169 -33.374 -21.593 1.00 16.55 H ATOM 89 CG ASN A 7 4.457 -32.178 -22.780 1.00 16.55 C ATOM 90 OD1 ASN A 7 4.574 -32.363 -23.986 1.00 16.55 O ATOM 91 ND2 ASN A 7 5.453 -31.768 -22.048 1.00 16.55 N ATOM 92 1HD2 ASN A 7 6.334 -31.575 -22.490 1.00 16.55 H ATOM 93 2HD2 ASN A 7 5.328 -31.636 -21.057 1.00 16.55 H ATOM 94 N GLN A 8 1.404 -33.197 -25.178 1.00 -7.79 N ATOM 95 H GLN A 8 1.021 -32.266 -25.306 1.00 -7.79 H ATOM 96 CA GLN A 8 1.371 -34.136 -26.299 1.00 -7.79 C ATOM 97 HA GLN A 8 0.841 -35.043 -26.004 1.00 -7.79 H ATOM 98 C GLN A 8 2.769 -34.533 -26.768 1.00 -7.79 C ATOM 99 O GLN A 8 2.966 -35.645 -27.261 1.00 -7.79 O ATOM 100 CB GLN A 8 0.660 -33.480 -27.491 1.00 -7.79 C ATOM 101 1HB GLN A 8 1.134 -32.514 -27.665 1.00 -7.79 H ATOM 102 2HB GLN A 8 0.825 -34.090 -28.379 1.00 -7.79 H ATOM 103 CG GLN A 8 -0.845 -33.248 -27.337 1.00 -7.79 C ATOM 104 1HG GLN A 8 -1.072 -32.949 -26.314 1.00 -7.79 H ATOM 105 2HG GLN A 8 -1.131 -32.431 -28.000 1.00 -7.79 H ATOM 106 CD GLN A 8 -1.686 -34.457 -27.710 1.00 -7.79 C ATOM 107 OE1 GLN A 8 -1.192 -35.565 -27.886 1.00 -7.79 O ATOM 108 NE2 GLN A 8 -2.967 -34.250 -27.856 1.00 -7.79 N ATOM 109 1HE2 GLN A 8 -3.554 -35.016 -28.140 1.00 -7.79 H ATOM 110 2HE2 GLN A 8 -3.354 -33.334 -27.697 1.00 -7.79 H ATOM 111 N GLY A 9 3.749 -33.651 -26.630 1.00-14.58 N ATOM 112 H GLY A 9 3.574 -32.759 -26.187 1.00-14.58 H ATOM 113 CA GLY A 9 5.098 -33.958 -27.086 1.00-14.58 C ATOM 114 1HA GLY A 9 5.075 -34.267 -28.131 1.00-14.58 H ATOM 115 2HA GLY A 9 5.723 -33.071 -26.986 1.00-14.58 H ATOM 116 C GLY A 9 5.688 -35.073 -26.250 1.00-14.58 C ATOM 117 O GLY A 9 6.215 -36.063 -26.762 1.00-14.58 O ATOM 118 N ALA A 10 5.510 -34.961 -24.944 1.00-11.31 N ATOM 119 H ALA A 10 5.054 -34.132 -24.569 1.00-11.31 H ATOM 120 CA ALA A 10 5.948 -36.003 -24.029 1.00-11.31 C ATOM 121 HA ALA A 10 7.000 -36.212 -24.224 1.00-11.31 H ATOM 122 C ALA A 10 5.170 -37.303 -24.268 1.00-11.31 C ATOM 123 O ALA A 10 5.779 -38.361 -24.268 1.00-11.31 O ATOM 124 CB ALA A 10 5.818 -35.522 -22.594 1.00-11.31 C ATOM 125 1HB ALA A 10 6.524 -34.712 -22.410 1.00-11.31 H ATOM 126 2HB ALA A 10 6.037 -36.348 -21.912 1.00-11.31 H ATOM 127 3HB ALA A 10 4.806 -35.164 -22.417 1.00-11.31 H ATOM 128 N CYS A 11 3.883 -37.243 -24.594 1.00 6.38 N ATOM 129 H CYS A 11 3.394 -36.355 -24.572 1.00 6.38 H ATOM 130 CA CYS A 11 3.159 -38.465 -24.969 1.00 6.38 C ATOM 131 HA CYS A 11 3.233 -39.174 -24.143 1.00 6.38 H ATOM 132 C CYS A 11 3.728 -39.157 -26.207 1.00 6.38 C ATOM 133 O CYS A 11 3.725 -40.387 -26.286 1.00 6.38 O ATOM 134 CB CYS A 11 1.680 -38.198 -25.260 1.00 6.38 C ATOM 135 1HB CYS A 11 1.601 -37.404 -26.000 1.00 6.38 H ATOM 136 2HB CYS A 11 1.270 -39.105 -25.706 1.00 6.38 H ATOM 137 SG CYS A 11 0.624 -37.780 -23.839 1.00 6.38 S ATOM 138 N HIS A 12 4.240 -38.398 -27.169 1.00 -1.30 N ATOM 139 H HIS A 12 4.220 -37.389 -27.078 1.00 -1.30 H ATOM 140 CA HIS A 12 4.873 -39.027 -28.332 1.00 -1.30 C ATOM 141 HA HIS A 12 4.196 -39.764 -28.755 1.00 -1.30 H ATOM 142 C HIS A 12 6.108 -39.764 -27.846 1.00 -1.30 C ATOM 143 O HIS A 12 6.336 -40.909 -28.218 1.00 -1.30 O ATOM 144 CB HIS A 12 5.302 -38.031 -29.424 1.00 -1.30 C ATOM 145 1HB HIS A 12 5.814 -37.186 -28.968 1.00 -1.30 H ATOM 146 2HB HIS A 12 6.013 -38.539 -30.076 1.00 -1.30 H ATOM 147 CG HIS A 12 4.182 -37.533 -30.287 1.00 -1.30 C ATOM 148 ND1 HIS A 12 3.162 -36.704 -29.839 1.00 -1.30 N ATOM 149 HD1 HIS A 12 3.059 -36.360 -28.880 1.00 -1.30 H ATOM 150 CD2 HIS A 12 3.907 -37.734 -31.603 1.00 -1.30 C ATOM 151 HD2 HIS A 12 4.505 -38.322 -32.290 1.00 -1.30 H ATOM 152 CE1 HIS A 12 2.327 -36.452 -30.835 1.00 -1.30 C ATOM 153 HE1 HIS A 12 1.423 -35.856 -30.761 1.00 -1.30 H ATOM 154 NE2 HIS A 12 2.759 -37.059 -31.915 1.00 -1.30 N ATOM 155 HE2 HIS A 12 2.310 -37.040 -32.824 1.00 -1.30 H ATOM 156 N ASN A 13 6.914 -39.109 -27.026 1.00-22.08 N ATOM 157 H ASN A 13 6.658 -38.182 -26.706 1.00-22.08 H ATOM 158 CA ASN A 13 8.193 -39.681 -26.616 1.00-22.08 C ATOM 159 HA ASN A 13 8.686 -40.073 -27.503 1.00-22.08 H ATOM 160 C ASN A 13 8.045 -40.848 -25.648 1.00-22.08 C ATOM 161 O ASN A 13 8.831 -41.788 -25.704 1.00-22.08 O ATOM 162 CB ASN A 13 9.093 -38.597 -26.024 1.00-22.08 C ATOM 163 1HB ASN A 13 8.565 -38.091 -25.216 1.00-22.08 H ATOM 164 2HB ASN A 13 9.986 -39.070 -25.615 1.00-22.08 H ATOM 165 CG ASN A 13 9.523 -37.588 -27.058 1.00-22.08 C ATOM 166 OD1 ASN A 13 9.640 -37.897 -28.241 1.00-22.08 O ATOM 167 ND2 ASN A 13 9.750 -36.376 -26.637 1.00-22.08 N ATOM 168 1HD2 ASN A 13 10.020 -35.675 -27.305 1.00-22.08 H ATOM 169 2HD2 ASN A 13 9.657 -36.153 -25.661 1.00-22.08 H ATOM 170 N HIS A 14 7.002 -40.830 -24.831 1.00 -6.28 N ATOM 171 H HIS A 14 6.414 -40.001 -24.785 1.00 -6.28 H ATOM 172 CA HIS A 14 6.660 -41.961 -23.970 1.00 -6.28 C ATOM 173 HA HIS A 14 7.467 -42.160 -23.264 1.00 -6.28 H ATOM 174 C HIS A 14 6.464 -43.207 -24.812 1.00 -6.28 C ATOM 175 O HIS A 14 7.132 -44.216 -24.622 1.00 -6.28 O ATOM 176 CB HIS A 14 5.367 -41.664 -23.207 1.00 -6.28 C ATOM 177 1HB HIS A 14 5.570 -40.909 -22.447 1.00 -6.28 H ATOM 178 2HB HIS A 14 4.634 -41.260 -23.903 1.00 -6.28 H ATOM 179 CG HIS A 14 4.764 -42.872 -22.563 1.00 -6.28 C ATOM 180 ND1 HIS A 14 5.373 -43.543 -21.526 1.00 -6.28 N ATOM 181 CD2 HIS A 14 3.601 -43.527 -22.841 1.00 -6.28 C ATOM 182 HD2 HIS A 14 2.909 -43.235 -23.618 1.00 -6.28 H ATOM 183 CE1 HIS A 14 4.549 -44.591 -21.229 1.00 -6.28 C ATOM 184 HE1 HIS A 14 4.757 -45.319 -20.456 1.00 -6.28 H ATOM 185 NE2 HIS A 14 3.440 -44.606 -22.011 1.00 -6.28 N ATOM 186 HE2 HIS A 14 2.677 -45.267 -21.984 1.00 -6.28 H ATOM 187 N CYS A 15 5.604 -43.133 -25.813 1.00 1.90 N ATOM 188 H CYS A 15 5.092 -42.276 -25.987 1.00 1.90 H ATOM 189 CA CYS A 15 5.357 -44.305 -26.639 1.00 1.90 C ATOM 190 HA CYS A 15 5.157 -45.150 -25.981 1.00 1.90 H ATOM 191 C CYS A 15 6.558 -44.675 -27.513 1.00 1.90 C ATOM 192 O CYS A 15 6.769 -45.847 -27.825 1.00 1.90 O ATOM 193 CB CYS A 15 4.117 -44.052 -27.477 1.00 1.90 C ATOM 194 1HB CYS A 15 4.274 -43.150 -28.067 1.00 1.90 H ATOM 195 2HB CYS A 15 3.964 -44.889 -28.153 1.00 1.90 H ATOM 196 SG CYS A 15 2.628 -43.845 -26.449 1.00 1.90 S ATOM 197 N ARG A 16 7.399 -43.710 -27.858 1.00-14.41 N ATOM 198 H ARG A 16 7.192 -42.749 -27.602 1.00-14.41 H ATOM 199 CA ARG A 16 8.635 -44.010 -28.589 1.00-14.41 C ATOM 200 HA ARG A 16 8.393 -44.648 -29.440 1.00-14.41 H ATOM 201 C ARG A 16 9.651 -44.775 -27.750 1.00-14.41 C ATOM 202 O ARG A 16 10.482 -45.466 -28.326 1.00-14.41 O ATOM 203 CB ARG A 16 9.291 -42.738 -29.125 1.00-14.41 C ATOM 204 1HB ARG A 16 9.364 -42.019 -28.312 1.00-14.41 H ATOM 205 2HB ARG A 16 10.301 -42.986 -29.450 1.00-14.41 H ATOM 206 CG ARG A 16 8.556 -42.101 -30.303 1.00-14.41 C ATOM 207 1HG ARG A 16 8.652 -42.740 -31.180 1.00-14.41 H ATOM 208 2HG ARG A 16 7.502 -41.998 -30.067 1.00-14.41 H ATOM 209 CD ARG A 16 9.135 -40.726 -30.607 1.00-14.41 C ATOM 210 1HD ARG A 16 8.500 -40.226 -31.339 1.00-14.41 H ATOM 211 2HD ARG A 16 9.145 -40.139 -29.689 1.00-14.41 H ATOM 212 NE ARG A 16 10.498 -40.832 -31.149 1.00-14.41 N ATOM 213 HE ARG A 16 10.732 -41.710 -31.581 1.00-14.41 H ATOM 214 CZ ARG A 16 11.428 -39.886 -31.143 1.00-14.41 C ATOM 215 NH1 ARG A 16 12.541 -40.111 -31.783 1.00-14.41 N ATOM 216 1HH1 ARG A 16 12.672 -40.970 -32.290 1.00-14.41 H ATOM 217 2HH1 ARG A 16 13.270 -39.420 -31.779 1.00-14.41 H ATOM 218 NH2 ARG A 16 11.311 -38.742 -30.519 1.00-14.41 N ATOM 219 1HH2 ARG A 16 10.497 -38.555 -29.939 1.00-14.41 H ATOM 220 2HH2 ARG A 16 12.033 -38.051 -30.589 1.00-14.41 H ATOM 221 N SER A 17 9.578 -44.735 -26.426 1.00-17.11 N ATOM 222 H SER A 17 8.916 -44.119 -25.964 1.00-17.11 H ATOM 223 CA SER A 17 10.464 -45.578 -25.611 1.00-17.11 C ATOM 224 HA SER A 17 11.485 -45.453 -25.974 1.00-17.11 H ATOM 225 C SER A 17 10.081 -47.051 -25.761 1.00-17.11 C ATOM 226 O SER A 17 10.914 -47.946 -25.697 1.00-17.11 O ATOM 227 CB SER A 17 10.427 -45.181 -24.133 1.00-17.11 C ATOM 228 1HB SER A 17 11.226 -45.711 -23.613 1.00-17.11 H ATOM 229 2HB SER A 17 10.599 -44.108 -24.041 1.00-17.11 H ATOM 230 OG SER A 17 9.196 -45.522 -23.517 1.00-17.11 O ATOM 231 HG SER A 17 8.486 -44.950 -23.856 1.00-17.11 H ATOM 232 N ILE A 18 8.810 -47.284 -26.062 1.00 -3.90 N ATOM 233 H ILE A 18 8.175 -46.500 -26.098 1.00 -3.90 H ATOM 234 CA ILE A 18 8.258 -48.618 -26.321 1.00 -3.90 C ATOM 235 HA ILE A 18 8.846 -49.347 -25.762 1.00 -3.90 H ATOM 236 C ILE A 18 8.392 -48.928 -27.821 1.00 -3.90 C ATOM 237 O ILE A 18 7.752 -49.838 -28.365 1.00 -3.90 O ATOM 238 CB ILE A 18 6.759 -48.741 -25.864 1.00 -3.90 C ATOM 239 HB ILE A 18 6.122 -48.521 -26.716 1.00 -3.90 H ATOM 240 CG1 ILE A 18 6.409 -47.731 -24.745 1.00 -3.90 C ATOM 241 1HG1 ILE A 18 7.012 -47.957 -23.866 1.00 -3.90 H ATOM 242 2HG1 ILE A 18 6.653 -46.727 -25.078 1.00 -3.90 H ATOM 243 CG2 ILE A 18 6.470 -50.194 -25.395 1.00 -3.90 C ATOM 244 1HG2 ILE A 18 5.405 -50.329 -25.209 1.00 -3.90 H ATOM 245 2HG2 ILE A 18 7.023 -50.408 -24.478 1.00 -3.90 H ATOM 246 3HG2 ILE A 18 6.775 -50.903 -26.164 1.00 -3.90 H ATOM 247 CD1 ILE A 18 4.933 -47.686 -24.321 1.00 -3.90 C ATOM 248 1HD1 ILE A 18 4.786 -46.850 -23.636 1.00 -3.90 H ATOM 249 2HD1 ILE A 18 4.656 -48.609 -23.812 1.00 -3.90 H ATOM 250 3HD1 ILE A 18 4.298 -47.544 -25.196 1.00 -3.90 H ATOM 251 N ARG A 19 9.204 -48.126 -28.501 1.00 13.83 N ATOM 252 H ARG A 19 9.691 -47.400 -27.984 1.00 13.83 H ATOM 253 CA ARG A 19 9.480 -48.210 -29.942 1.00 13.83 C ATOM 254 HA ARG A 19 10.097 -47.343 -30.185 1.00 13.83 H ATOM 255 C ARG A 19 8.229 -48.107 -30.816 1.00 13.83 C ATOM 256 O ARG A 19 8.131 -48.704 -31.887 1.00 13.83 O ATOM 257 CB ARG A 19 10.328 -49.458 -30.233 1.00 13.83 C ATOM 258 1HB ARG A 19 10.981 -49.621 -29.375 1.00 13.83 H ATOM 259 2HB ARG A 19 9.673 -50.324 -30.328 1.00 13.83 H ATOM 260 CG ARG A 19 11.217 -49.354 -31.472 1.00 13.83 C ATOM 261 1HG ARG A 19 10.596 -49.254 -32.361 1.00 13.83 H ATOM 262 2HG ARG A 19 11.853 -48.473 -31.381 1.00 13.83 H ATOM 263 CD ARG A 19 12.094 -50.588 -31.615 1.00 13.83 C ATOM 264 1HD ARG A 19 12.702 -50.695 -30.714 1.00 13.83 H ATOM 265 2HD ARG A 19 11.454 -51.465 -31.718 1.00 13.83 H ATOM 266 NE ARG A 19 12.974 -50.487 -32.790 1.00 13.83 N ATOM 267 HE ARG A 19 12.882 -49.650 -33.342 1.00 13.83 H ATOM 268 CZ ARG A 19 13.858 -51.392 -33.192 1.00 13.83 C ATOM 269 NH1 ARG A 19 14.539 -51.164 -34.280 1.00 13.83 N ATOM 270 1HH1 ARG A 19 14.390 -50.318 -34.804 1.00 13.83 H ATOM 271 2HH1 ARG A 19 15.213 -51.837 -34.604 1.00 13.83 H ATOM 272 NH2 ARG A 19 14.086 -52.514 -32.555 1.00 13.83 N ATOM 273 1HH2 ARG A 19 13.585 -52.710 -31.706 1.00 13.83 H ATOM 274 2HH2 ARG A 19 14.759 -53.172 -32.908 1.00 13.83 H ATOM 275 N ARG A 20 7.242 -47.351 -30.357 1.00 16.91 N ATOM 276 H ARG A 20 7.328 -46.903 -29.449 1.00 16.91 H ATOM 277 CA ARG A 20 6.061 -47.077 -31.176 1.00 16.91 C ATOM 278 HA ARG A 20 5.849 -47.936 -31.811 1.00 16.91 H ATOM 279 C ARG A 20 6.422 -45.882 -32.046 1.00 16.91 C ATOM 280 O ARG A 20 7.239 -45.059 -31.654 1.00 16.91 O ATOM 281 CB ARG A 20 4.843 -46.758 -30.303 1.00 16.91 C ATOM 282 1HB ARG A 20 5.061 -45.853 -29.744 1.00 16.91 H ATOM 283 2HB ARG A 20 3.998 -46.547 -30.947 1.00 16.91 H ATOM 284 CG ARG A 20 4.423 -47.848 -29.307 1.00 16.91 C ATOM 285 1HG ARG A 20 5.214 -47.981 -28.575 1.00 16.91 H ATOM 286 2HG ARG A 20 3.539 -47.506 -28.781 1.00 16.91 H ATOM 287 CD ARG A 20 4.107 -49.201 -29.934 1.00 16.91 C ATOM 288 1HD ARG A 20 3.275 -49.653 -29.392 1.00 16.91 H ATOM 289 2HD ARG A 20 3.817 -49.066 -30.977 1.00 16.91 H ATOM 290 NE ARG A 20 5.275 -50.087 -29.837 1.00 16.91 N ATOM 291 HE ARG A 20 6.060 -49.751 -29.286 1.00 16.91 H ATOM 292 CZ ARG A 20 5.421 -51.286 -30.377 1.00 16.91 C ATOM 293 NH1 ARG A 20 6.539 -51.913 -30.157 1.00 16.91 N ATOM 294 1HH1 ARG A 20 7.242 -51.464 -29.575 1.00 16.91 H ATOM 295 2HH1 ARG A 20 6.703 -52.823 -30.545 1.00 16.91 H ATOM 296 NH2 ARG A 20 4.505 -51.874 -31.105 1.00 16.91 N ATOM 297 1HH2 ARG A 20 3.627 -51.410 -31.264 1.00 16.91 H ATOM 298 2HH2 ARG A 20 4.675 -52.783 -31.494 1.00 16.91 H ATOM 299 N ARG A 21 5.794 -45.765 -33.208 1.00 -1.00 N ATOM 300 H ARG A 21 5.122 -46.469 -33.476 1.00 -1.00 H ATOM 301 CA ARG A 21 6.059 -44.665 -34.144 1.00 -1.00 C ATOM 302 HA ARG A 21 7.138 -44.599 -34.298 1.00 -1.00 H ATOM 303 C ARG A 21 5.595 -43.305 -33.613 1.00 -1.00 C ATOM 304 O ARG A 21 6.026 -42.260 -34.082 1.00 -1.00 O ATOM 305 CB ARG A 21 5.394 -45.003 -35.487 1.00 -1.00 C ATOM 306 1HB ARG A 21 5.585 -46.057 -35.687 1.00 -1.00 H ATOM 307 2HB ARG A 21 4.318 -44.864 -35.395 1.00 -1.00 H ATOM 308 CG ARG A 21 5.894 -44.211 -36.697 1.00 -1.00 C ATOM 309 1HG ARG A 21 5.560 -43.176 -36.629 1.00 -1.00 H ATOM 310 2HG ARG A 21 6.984 -44.233 -36.697 1.00 -1.00 H ATOM 311 CD ARG A 21 5.402 -44.831 -38.009 1.00 -1.00 C ATOM 312 1HD ARG A 21 5.934 -44.360 -38.837 1.00 -1.00 H ATOM 313 2HD ARG A 21 5.658 -45.891 -37.999 1.00 -1.00 H ATOM 314 NE ARG A 21 3.953 -44.674 -38.236 1.00 -1.00 N ATOM 315 HE ARG A 21 3.519 -43.872 -37.812 1.00 -1.00 H ATOM 316 CZ ARG A 21 3.177 -45.481 -38.952 1.00 -1.00 C ATOM 317 NH1 ARG A 21 1.919 -45.174 -39.117 1.00 -1.00 N ATOM 318 1HH1 ARG A 21 1.544 -44.319 -38.750 1.00 -1.00 H ATOM 319 2HH1 ARG A 21 1.313 -45.811 -39.613 1.00 -1.00 H ATOM 320 NH2 ARG A 21 3.591 -46.599 -39.492 1.00 -1.00 N ATOM 321 1HH2 ARG A 21 4.561 -46.850 -39.440 1.00 -1.00 H ATOM 322 2HH2 ARG A 21 2.923 -47.224 -39.927 1.00 -1.00 H ATOM 323 N GLY A 22 4.719 -43.311 -32.621 1.00 15.22 N ATOM 324 H GLY A 22 4.391 -44.180 -32.233 1.00 15.22 H ATOM 325 CA GLY A 22 4.230 -42.077 -32.035 1.00 15.22 C ATOM 326 1HA GLY A 22 5.073 -41.467 -31.709 1.00 15.22 H ATOM 327 2HA GLY A 22 3.651 -41.526 -32.776 1.00 15.22 H ATOM 328 C GLY A 22 3.347 -42.398 -30.852 1.00 15.22 C ATOM 329 O GLY A 22 3.176 -43.571 -30.511 1.00 15.22 O ATOM 330 N GLY A 23 2.764 -41.376 -30.250 1.00 15.79 N ATOM 331 H GLY A 23 2.889 -40.428 -30.585 1.00 15.79 H ATOM 332 CA GLY A 23 1.882 -41.537 -29.111 1.00 15.79 C ATOM 333 1HA GLY A 23 1.167 -42.338 -29.285 1.00 15.79 H ATOM 334 2HA GLY A 23 2.447 -41.709 -28.198 1.00 15.79 H ATOM 335 C GLY A 23 1.157 -40.220 -29.028 1.00 15.79 C ATOM 336 O GLY A 23 1.560 -39.302 -29.741 1.00 15.79 O ATOM 337 N TYR A 24 0.091 -40.130 -28.257 1.00 -5.06 N ATOM 338 H TYR A 24 -0.189 -40.927 -27.680 1.00 -5.06 H ATOM 339 CA TYR A 24 -0.789 -38.967 -28.251 1.00 -5.06 C ATOM 340 HA TYR A 24 -0.218 -38.041 -28.321 1.00 -5.06 H ATOM 341 C TYR A 24 -1.531 -39.014 -26.925 1.00 -5.06 C ATOM 342 O TYR A 24 -1.556 -40.056 -26.279 1.00 -5.06 O ATOM 343 CB TYR A 24 -1.775 -39.074 -29.426 1.00 -5.06 C ATOM 344 1HB TYR A 24 -2.579 -38.349 -29.295 1.00 -5.06 H ATOM 345 2HB TYR A 24 -1.240 -38.831 -30.343 1.00 -5.06 H ATOM 346 CG TYR A 24 -2.364 -40.467 -29.587 1.00 -5.06 C ATOM 347 CD1 TYR A 24 -3.544 -40.841 -28.914 1.00 -5.06 C ATOM 348 HD1 TYR A 24 -4.082 -40.112 -28.328 1.00 -5.06 H ATOM 349 CD2 TYR A 24 -1.727 -41.431 -30.403 1.00 -5.06 C ATOM 350 HD2 TYR A 24 -0.854 -41.154 -30.976 1.00 -5.06 H ATOM 351 CE1 TYR A 24 -4.035 -42.171 -28.993 1.00 -5.06 C ATOM 352 HE1 TYR A 24 -4.939 -42.453 -28.475 1.00 -5.06 H ATOM 353 CE2 TYR A 24 -2.202 -42.765 -30.462 1.00 -5.06 C ATOM 354 HE2 TYR A 24 -1.693 -43.498 -31.066 1.00 -5.06 H ATOM 355 CZ TYR A 24 -3.332 -43.128 -29.727 1.00 -5.06 C ATOM 356 OH TYR A 24 -3.751 -44.434 -29.707 1.00 -5.06 O ATOM 357 HH TYR A 24 -3.113 -45.031 -30.117 1.00 -5.06 H ATOM 358 N CYS A 25 -2.119 -37.912 -26.497 1.00 1.86 N ATOM 359 H CYS A 25 -2.022 -37.051 -27.027 1.00 1.86 H ATOM 360 CA CYS A 25 -2.922 -37.920 -25.279 1.00 1.86 C ATOM 361 HA CYS A 25 -2.341 -38.354 -24.467 1.00 1.86 H ATOM 362 C CYS A 25 -4.192 -38.737 -25.475 1.00 1.86 C ATOM 363 O CYS A 25 -4.823 -38.682 -26.529 1.00 1.86 O ATOM 364 CB CYS A 25 -3.335 -36.505 -24.896 1.00 1.86 C ATOM 365 1HB CYS A 25 -3.878 -36.056 -25.727 1.00 1.86 H ATOM 366 2HB CYS A 25 -4.008 -36.565 -24.040 1.00 1.86 H ATOM 367 SG CYS A 25 -1.934 -35.438 -24.448 1.00 1.86 S ATOM 368 N SER A 26 -4.609 -39.445 -24.440 1.00 24.23 N ATOM 369 H SER A 26 -4.058 -39.459 -23.585 1.00 24.23 H ATOM 370 CA SER A 26 -5.867 -40.180 -24.462 1.00 24.23 C ATOM 371 HA SER A 26 -5.978 -40.690 -25.420 1.00 24.23 H ATOM 372 C SER A 26 -7.005 -39.186 -24.262 1.00 24.23 C ATOM 373 O SER A 26 -7.357 -38.885 -23.128 1.00 24.23 O ATOM 374 CB SER A 26 -5.872 -41.205 -23.330 1.00 24.23 C ATOM 375 1HB SER A 26 -6.028 -40.697 -22.381 1.00 24.23 H ATOM 376 2HB SER A 26 -6.674 -41.926 -23.487 1.00 24.23 H ATOM 377 OG SER A 26 -4.620 -41.864 -23.267 1.00 24.23 O ATOM 378 HG SER A 26 -4.418 -42.216 -24.150 1.00 24.23 H ATOM 379 N GLY A 27 -7.566 -38.639 -25.331 1.00 9.14 N ATOM 380 H GLY A 27 -7.256 -38.926 -26.253 1.00 9.14 H ATOM 381 CA GLY A 27 -8.528 -37.547 -25.218 1.00 9.14 C ATOM 382 1HA GLY A 27 -7.998 -36.685 -24.811 1.00 9.14 H ATOM 383 2HA GLY A 27 -8.863 -37.278 -26.220 1.00 9.14 H ATOM 384 C GLY A 27 -9.755 -37.750 -24.345 1.00 9.14 C ATOM 385 O GLY A 27 -10.276 -36.791 -23.790 1.00 9.14 O ATOM 386 N ILE A 28 -10.193 -38.987 -24.154 1.00-27.10 N ATOM 387 H ILE A 28 -9.743 -39.749 -24.634 1.00-27.10 H ATOM 388 CA ILE A 28 -11.315 -39.280 -23.255 1.00-27.10 C ATOM 389 HA ILE A 28 -12.167 -38.659 -23.535 1.00-27.10 H ATOM 390 C ILE A 28 -10.914 -38.941 -21.812 1.00-27.10 C ATOM 391 O ILE A 28 -11.696 -38.381 -21.043 1.00-27.10 O ATOM 392 CB ILE A 28 -11.729 -40.787 -23.359 1.00-27.10 C ATOM 393 HB ILE A 28 -10.868 -41.398 -23.090 1.00-27.10 H ATOM 394 CG1 ILE A 28 -12.128 -41.126 -24.812 1.00-27.10 C ATOM 395 1HG1 ILE A 28 -13.046 -40.588 -25.054 1.00-27.10 H ATOM 396 2HG1 ILE A 28 -11.351 -40.778 -25.490 1.00-27.10 H ATOM 397 CG2 ILE A 28 -12.891 -41.122 -22.384 1.00-27.10 C ATOM 398 1HG2 ILE A 28 -13.136 -42.183 -22.434 1.00-27.10 H ATOM 399 2HG2 ILE A 28 -13.779 -40.540 -22.636 1.00-27.10 H ATOM 400 3HG2 ILE A 28 -12.602 -40.901 -21.355 1.00-27.10 H ATOM 401 CD1 ILE A 28 -12.347 -42.619 -25.111 1.00-27.10 C ATOM 402 1HD1 ILE A 28 -12.514 -42.750 -26.181 1.00-27.10 H ATOM 403 2HD1 ILE A 28 -13.221 -42.990 -24.575 1.00-27.10 H ATOM 404 3HD1 ILE A 28 -11.468 -43.193 -24.817 1.00-27.10 H ATOM 405 N ILE A 29 -9.675 -39.259 -21.464 1.00 6.87 N ATOM 406 H ILE A 29 -9.021 -39.525 -22.189 1.00 6.87 H ATOM 407 CA ILE A 29 -9.199 -39.276 -20.076 1.00 6.87 C ATOM 408 HA ILE A 29 -10.051 -39.374 -19.402 1.00 6.87 H ATOM 409 C ILE A 29 -8.468 -37.964 -19.768 1.00 6.87 C ATOM 410 O ILE A 29 -8.452 -37.487 -18.636 1.00 6.87 O ATOM 411 CB ILE A 29 -8.235 -40.496 -19.856 1.00 6.87 C ATOM 412 HB ILE A 29 -7.365 -40.362 -20.498 1.00 6.87 H ATOM 413 CG1 ILE A 29 -8.935 -41.814 -20.262 1.00 6.87 C ATOM 414 1HG1 ILE A 29 -9.756 -41.998 -19.568 1.00 6.87 H ATOM 415 2HG1 ILE A 29 -9.360 -41.708 -21.257 1.00 6.87 H ATOM 416 CG2 ILE A 29 -7.753 -40.584 -18.381 1.00 6.87 C ATOM 417 1HG2 ILE A 29 -7.060 -41.416 -18.259 1.00 6.87 H ATOM 418 2HG2 ILE A 29 -8.605 -40.730 -17.714 1.00 6.87 H ATOM 419 3HG2 ILE A 29 -7.232 -39.675 -18.091 1.00 6.87 H ATOM 420 CD1 ILE A 29 -8.041 -43.065 -20.298 1.00 6.87 C ATOM 421 1HD1 ILE A 29 -8.613 -43.903 -20.697 1.00 6.87 H ATOM 422 2HD1 ILE A 29 -7.705 -43.322 -19.294 1.00 6.87 H ATOM 423 3HD1 ILE A 29 -7.176 -42.888 -20.937 1.00 6.87 H ATOM 424 N LYS A 30 -7.868 -37.389 -20.807 1.00 6.53 N ATOM 425 H LYS A 30 -7.937 -37.874 -21.698 1.00 6.53 H ATOM 426 CA LYS A 30 -7.076 -36.141 -20.815 1.00 6.53 C ATOM 427 HA LYS A 30 -6.793 -35.960 -21.852 1.00 6.53 H ATOM 428 C LYS A 30 -5.761 -36.187 -20.042 1.00 6.53 C ATOM 429 O LYS A 30 -4.830 -35.480 -20.385 1.00 6.53 O ATOM 430 CB LYS A 30 -7.868 -34.899 -20.354 1.00 6.53 C ATOM 431 1HB LYS A 30 -8.161 -35.022 -19.312 1.00 6.53 H ATOM 432 2HB LYS A 30 -7.184 -34.051 -20.398 1.00 6.53 H ATOM 433 CG LYS A 30 -9.108 -34.522 -21.176 1.00 6.53 C ATOM 434 1HG LYS A 30 -9.239 -33.442 -21.123 1.00 6.53 H ATOM 435 2HG LYS A 30 -8.947 -34.801 -22.218 1.00 6.53 H ATOM 436 CD LYS A 30 -10.386 -35.181 -20.657 1.00 6.53 C ATOM 437 1HD LYS A 30 -10.258 -36.256 -20.687 1.00 6.53 H ATOM 438 2HD LYS A 30 -10.556 -34.877 -19.624 1.00 6.53 H ATOM 439 CE LYS A 30 -11.603 -34.830 -21.496 1.00 6.53 C ATOM 440 1HE LYS A 30 -11.829 -33.766 -21.395 1.00 6.53 H ATOM 441 2HE LYS A 30 -11.390 -35.052 -22.544 1.00 6.53 H ATOM 442 NZ LYS A 30 -12.768 -35.662 -21.044 1.00 6.53 N ATOM 443 1HZ LYS A 30 -13.567 -35.494 -21.640 1.00 6.53 H ATOM 444 2HZ LYS A 30 -13.004 -35.438 -20.088 1.00 6.53 H ATOM 445 3HZ LYS A 30 -12.517 -36.648 -21.095 1.00 6.53 H ATOM 446 N GLN A 31 -5.668 -37.014 -19.014 1.00 9.24 N ATOM 447 H GLN A 31 -6.486 -37.556 -18.761 1.00 9.24 H ATOM 448 CA GLN A 31 -4.484 -37.081 -18.160 1.00 9.24 C ATOM 449 HA GLN A 31 -3.929 -36.152 -18.272 1.00 9.24 H ATOM 450 C GLN A 31 -3.513 -38.226 -18.451 1.00 9.24 C ATOM 451 O GLN A 31 -2.550 -38.420 -17.714 1.00 9.24 O ATOM 452 CB GLN A 31 -4.932 -37.179 -16.701 1.00 9.24 C ATOM 453 1HB GLN A 31 -5.496 -38.100 -16.559 1.00 9.24 H ATOM 454 2HB GLN A 31 -4.043 -37.217 -16.072 1.00 9.24 H ATOM 455 CG GLN A 31 -5.782 -36.001 -16.241 1.00 9.24 C ATOM 456 1HG GLN A 31 -5.274 -35.073 -16.500 1.00 9.24 H ATOM 457 2HG GLN A 31 -6.750 -36.027 -16.741 1.00 9.24 H ATOM 458 CD GLN A 31 -5.997 -36.023 -14.746 1.00 9.24 C ATOM 459 OE1 GLN A 31 -5.050 -35.999 -13.979 1.00 9.24 O ATOM 460 NE2 GLN A 31 -7.229 -36.086 -14.320 1.00 9.24 N ATOM 461 1HE2 GLN A 31 -7.386 -36.102 -13.326 1.00 9.24 H ATOM 462 2HE2 GLN A 31 -7.994 -36.127 -14.970 1.00 9.24 H ATOM 463 N THR A 32 -3.755 -39.002 -19.495 1.00 18.80 N ATOM 464 H THR A 32 -4.543 -38.816 -20.095 1.00 18.80 H ATOM 465 CA THR A 32 -2.903 -40.145 -19.837 1.00 18.80 C ATOM 466 HA THR A 32 -1.992 -40.136 -19.245 1.00 18.80 H ATOM 467 C THR A 32 -2.525 -40.052 -21.306 1.00 18.80 C ATOM 468 O THR A 32 -3.056 -39.205 -22.024 1.00 18.80 O ATOM 469 CB THR A 32 -3.636 -41.484 -19.597 1.00 18.80 C ATOM 470 HB THR A 32 -3.017 -42.312 -19.944 1.00 18.80 H ATOM 471 OG1 THR A 32 -4.872 -41.472 -20.308 1.00 18.80 O ATOM 472 HG1 THR A 32 -4.717 -41.811 -21.201 1.00 18.80 H ATOM 473 CG2 THR A 32 -3.961 -41.695 -18.128 1.00 18.80 C ATOM 474 1HG2 THR A 32 -4.444 -42.665 -18.007 1.00 18.80 H ATOM 475 2HG2 THR A 32 -4.640 -40.920 -17.775 1.00 18.80 H ATOM 476 3HG2 THR A 32 -3.047 -41.678 -17.535 1.00 18.80 H ATOM 477 N CYS A 33 -1.634 -40.926 -21.746 1.00 6.83 N ATOM 478 H CYS A 33 -1.278 -41.641 -21.133 1.00 6.83 H ATOM 479 CA CYS A 33 -1.208 -40.992 -23.137 1.00 6.83 C ATOM 480 HA CYS A 33 -1.729 -40.248 -23.733 1.00 6.83 H ATOM 481 C CYS A 33 -1.561 -42.389 -23.625 1.00 6.83 C ATOM 482 O CYS A 33 -1.660 -43.307 -22.811 1.00 6.83 O ATOM 483 CB CYS A 33 0.302 -40.789 -23.254 1.00 6.83 C ATOM 484 1HB CYS A 33 0.796 -41.633 -22.773 1.00 6.83 H ATOM 485 2HB CYS A 33 0.580 -40.803 -24.309 1.00 6.83 H ATOM 486 SG CYS A 33 0.928 -39.261 -22.485 1.00 6.83 S ATOM 487 N THR A 34 -1.716 -42.537 -24.928 1.00 6.50 N ATOM 488 H THR A 34 -1.604 -41.725 -25.534 1.00 6.50 H ATOM 489 CA THR A 34 -2.014 -43.804 -25.588 1.00 6.50 C ATOM 490 HA THR A 34 -1.748 -44.645 -24.948 1.00 6.50 H ATOM 491 C THR A 34 -1.123 -43.796 -26.821 1.00 6.50 C ATOM 492 O THR A 34 -0.580 -42.746 -27.166 1.00 6.50 O ATOM 493 CB THR A 34 -3.499 -43.884 -25.973 1.00 6.50 C ATOM 494 HB THR A 34 -3.603 -44.298 -26.975 1.00 6.50 H ATOM 495 OG1 THR A 34 -4.062 -42.569 -25.925 1.00 6.50 O ATOM 496 HG1 THR A 34 -3.663 -42.051 -26.636 1.00 6.50 H ATOM 497 CG2 THR A 34 -4.279 -44.738 -24.992 1.00 6.50 C ATOM 498 1HG2 THR A 34 -5.340 -44.687 -25.233 1.00 6.50 H ATOM 499 2HG2 THR A 34 -4.122 -44.383 -23.973 1.00 6.50 H ATOM 500 3HG2 THR A 34 -3.950 -45.775 -25.064 1.00 6.50 H ATOM 501 N CYS A 35 -0.909 -44.947 -27.442 1.00 -3.62 N ATOM 502 H CYS A 35 -1.461 -45.759 -27.218 1.00 -3.62 H ATOM 503 CA CYS A 35 0.177 -45.096 -28.406 1.00 -3.62 C ATOM 504 HA CYS A 35 0.707 -44.153 -28.486 1.00 -3.62 H ATOM 505 C CYS A 35 -0.231 -45.495 -29.818 1.00 -3.62 C ATOM 506 O CYS A 35 -1.340 -45.967 -30.064 1.00 -3.62 O ATOM 507 CB CYS A 35 1.168 -46.128 -27.869 1.00 -3.62 C ATOM 508 1HB CYS A 35 0.667 -47.094 -27.803 1.00 -3.62 H ATOM 509 2HB CYS A 35 1.978 -46.214 -28.586 1.00 -3.62 H ATOM 510 SG CYS A 35 1.893 -45.728 -26.241 1.00 -3.62 S ATOM 511 N TYR A 36 0.706 -45.310 -30.736 1.00 3.70 N ATOM 512 H TYR A 36 1.582 -44.876 -30.466 1.00 3.70 H ATOM 513 CA TYR A 36 0.561 -45.736 -32.125 1.00 3.70 C ATOM 514 HA TYR A 36 -0.262 -45.189 -32.585 1.00 3.70 H ATOM 515 C TYR A 36 0.273 -47.231 -32.284 1.00 3.70 C ATOM 516 O TYR A 36 0.867 -48.083 -31.612 1.00 3.70 O ATOM 517 CB TYR A 36 1.863 -45.391 -32.861 1.00 3.70 C ATOM 518 1HB TYR A 36 1.790 -44.377 -33.254 1.00 3.70 H ATOM 519 2HB TYR A 36 2.664 -45.409 -32.134 1.00 3.70 H ATOM 520 CG TYR A 36 2.266 -46.337 -33.972 1.00 3.70 C ATOM 521 CD1 TYR A 36 1.786 -46.161 -35.280 1.00 3.70 C ATOM 522 HD1 TYR A 36 1.120 -45.340 -35.507 1.00 3.70 H ATOM 523 CD2 TYR A 36 3.113 -47.439 -33.711 1.00 3.70 C ATOM 524 HD2 TYR A 36 3.448 -47.630 -32.705 1.00 3.70 H ATOM 525 CE1 TYR A 36 2.117 -47.087 -36.296 1.00 3.70 C ATOM 526 HE1 TYR A 36 1.678 -46.991 -37.274 1.00 3.70 H ATOM 527 CE2 TYR A 36 3.497 -48.325 -34.745 1.00 3.70 C ATOM 528 HE2 TYR A 36 4.159 -49.155 -34.546 1.00 3.70 H ATOM 529 CZ TYR A 36 2.984 -48.143 -36.027 1.00 3.70 C ATOM 530 OH TYR A 36 3.321 -49.011 -37.027 1.00 3.70 O ATOM 531 HH TYR A 36 2.802 -48.852 -37.828 1.00 3.70 H ATOM 532 N ARG A 37 -0.562 -47.508 -33.278 1.00 8.00 N ATOM 533 H ARG A 37 -1.026 -46.744 -33.758 1.00 8.00 H ATOM 534 CA ARG A 37 -0.732 -48.813 -33.909 1.00 8.00 C ATOM 535 HA ARG A 37 0.137 -49.451 -33.758 1.00 8.00 H ATOM 536 C ARG A 37 -0.832 -48.374 -35.365 1.00 8.00 C ATOM 537 O ARG A 37 -1.066 -47.181 -35.588 1.00 8.00 O ATOM 538 CB ARG A 37 -2.024 -49.514 -33.462 1.00 8.00 C ATOM 539 1HB ARG A 37 -2.111 -50.442 -34.027 1.00 8.00 H ATOM 540 2HB ARG A 37 -1.947 -49.766 -32.404 1.00 8.00 H ATOM 541 CG ARG A 37 -3.308 -48.697 -33.676 1.00 8.00 C ATOM 542 1HG ARG A 37 -3.412 -47.963 -32.877 1.00 8.00 H ATOM 543 2HG ARG A 37 -3.252 -48.172 -34.626 1.00 8.00 H ATOM 544 CD ARG A 37 -4.541 -49.587 -33.725 1.00 8.00 C ATOM 545 1HD ARG A 37 -4.403 -50.341 -34.504 1.00 8.00 H ATOM 546 2HD ARG A 37 -4.654 -50.092 -32.766 1.00 8.00 H ATOM 547 NE ARG A 37 -5.753 -48.804 -34.017 1.00 8.00 N ATOM 548 HE ARG A 37 -6.299 -48.522 -33.222 1.00 8.00 H ATOM 549 CZ ARG A 37 -6.191 -48.446 -35.219 1.00 8.00 C ATOM 550 NH1 ARG A 37 -7.298 -47.760 -35.296 1.00 8.00 N ATOM 551 1HH1 ARG A 37 -7.800 -47.511 -34.465 1.00 8.00 H ATOM 552 2HH1 ARG A 37 -7.637 -47.475 -36.198 1.00 8.00 H ATOM 553 NH2 ARG A 37 -5.591 -48.718 -36.345 1.00 8.00 N ATOM 554 1HH2 ARG A 37 -4.700 -49.226 -36.354 1.00 8.00 H ATOM 555 2HH2 ARG A 37 -5.948 -48.406 -37.226 1.00 8.00 H ATOM 556 N ASN A 38 -0.693 -49.276 -36.326 1.00-13.39 N ATOM 557 H ASN A 38 -0.483 -50.230 -36.096 1.00-13.39 H ATOM 558 CA ASN A 38 -1.101 -48.962 -37.699 1.00-13.39 C ATOM 559 HA ASN A 38 -0.839 -47.938 -37.961 1.00-13.39 H ATOM 560 C ASN A 38 -2.615 -49.091 -37.656 1.00-13.39 C ATOM 561 O ASN A 38 -3.331 -48.412 -38.408 1.00-13.39 O ATOM 562 OXT ASN A 38 -3.062 -49.905 -36.818 1.00-13.39 O ATOM 563 CB ASN A 38 -0.556 -49.946 -38.745 1.00-13.39 C ATOM 564 1HB ASN A 38 -0.784 -50.962 -38.426 1.00-13.39 H ATOM 565 2HB ASN A 38 -1.072 -49.763 -39.688 1.00-13.39 H ATOM 566 CG ASN A 38 0.925 -49.813 -38.982 1.00-13.39 C ATOM 567 OD1 ASN A 38 1.483 -48.722 -39.107 1.00-13.39 O ATOM 568 ND2 ASN A 38 1.593 -50.931 -39.036 1.00-13.39 N ATOM 569 1HD2 ASN A 38 2.586 -50.903 -39.183 1.00-13.39 H ATOM 570 2HD2 ASN A 38 1.108 -51.808 -38.943 1.00-13.39 H TER 571 ASN A 38 CONECT 46 43 367 CONECT 137 134 486 CONECT 196 193 510 CONECT 367 46 364 CONECT 486 137 483 CONECT 510 196 507 END
SEQUENCE	GFGCPLNQGACHNHCRSIRRRGGYCSGIIKQTCTCYRN
HELICITY	5.30	INSTAB. INDEX	86.59	FLEXIBILITY	15.66
a HYD. MOM.	49.20	b HYD. MOM.	31.09	c HYD. MOM	6.17
a MEAN HYD. MOM.	1.29	b MEAN HYD. MOM.	0.82	c MEAN HYD. MOM.	0.16
CHARGE pH5	7.82	CHARGE pH7	5.91	CHARGE pH9	0.67
Δ CHARGE pH5-pH9	7.14	ISOELECTRIC POINT	9.43	BOMAN INDEX	2.50
ΔG	22	CPP	-0,33	MLP	-8,52
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Ixodida
FAMILY	Ixodidae	GENUS	Dermacentor	SPECIES	Dermacentor variabilis
DATE	2001
TITLE PAPER	Identification of a defensin from the hemolymph of the American dog tick, Dermacentor variabilis