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ID	2487	NAME	Gm defensin-like peptide   Blast NCBI-PROT
LENGTH	44	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\DKLIGSCVWGATNYTSDCNAECKRRGYKGGHCGSFWNVNCWCEE.pdb REMARK YASARA Written on: Wed May 14 21:04:01 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 646 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN ARD1; COMPND 3 CHAIN: A; SEQRES 1 A 44 ASP LYS LEU ILE GLY SER CYS VAL TRP GLY ALA THR ASN SEQRES 2 A 44 TYR THR SER ASP CYS ASN ALA GLU CYS LYS ARG ARG GLY SEQRES 3 A 44 TYR LYS GLY GLY HIS CYS GLY SER PHE TRP ASN VAL ASN SEQRES 4 A 44 CYS TRP CYS GLU GLU 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 7 CYS A 32 2.03 SSBOND 3 CYS A 18 CYS A 40 2.03 SSBOND 5 CYS A 22 CYS A 42 2.03 ATOM 1 N ASP A 1 34.231 -11.071 -15.779 1.00-15.48 N ATOM 2 1H ASP A 1 33.324 -10.878 -15.367 1.00-15.48 H ATOM 3 2H ASP A 1 34.287 -10.659 -16.698 1.00-15.48 H ATOM 4 3H ASP A 1 34.946 -10.672 -15.187 1.00-15.48 H ATOM 5 CA ASP A 1 34.432 -12.543 -15.876 1.00-15.48 C ATOM 6 HA ASP A 1 34.281 -12.977 -14.890 1.00-15.48 H ATOM 7 C ASP A 1 35.835 -12.853 -16.356 1.00-15.48 C ATOM 8 O ASP A 1 36.393 -12.050 -17.102 1.00-15.48 O ATOM 9 CB ASP A 1 33.397 -13.122 -16.832 1.00-15.48 C ATOM 10 1HB ASP A 1 33.596 -12.741 -17.834 1.00-15.48 H ATOM 11 2HB ASP A 1 33.481 -14.208 -16.846 1.00-15.48 H ATOM 12 CG ASP A 1 32.001 -12.727 -16.434 1.00-15.48 C ATOM 13 OD1 ASP A 1 31.698 -12.811 -15.228 1.00-15.48 O ATOM 14 OD2 ASP A 1 31.257 -12.226 -17.291 1.00-15.48 O ATOM 15 N LYS A 2 36.425 -13.975 -15.948 1.00 -6.59 N ATOM 16 H LYS A 2 35.908 -14.622 -15.349 1.00 -6.59 H ATOM 17 CA LYS A 2 37.809 -14.301 -16.332 1.00 -6.59 C ATOM 18 HA LYS A 2 38.035 -13.775 -17.259 1.00 -6.59 H ATOM 19 C LYS A 2 38.067 -15.791 -16.548 1.00 -6.59 C ATOM 20 O LYS A 2 37.606 -16.614 -15.769 1.00 -6.59 O ATOM 21 CB LYS A 2 38.756 -13.789 -15.237 1.00 -6.59 C ATOM 22 1HB LYS A 2 38.423 -12.794 -14.954 1.00 -6.59 H ATOM 23 2HB LYS A 2 38.672 -14.443 -14.368 1.00 -6.59 H ATOM 24 CG LYS A 2 40.226 -13.684 -15.656 1.00 -6.59 C ATOM 25 1HG LYS A 2 40.524 -14.623 -16.114 1.00 -6.59 H ATOM 26 2HG LYS A 2 40.319 -12.899 -16.406 1.00 -6.59 H ATOM 27 CD LYS A 2 41.214 -13.405 -14.516 1.00 -6.59 C ATOM 28 1HD LYS A 2 41.102 -14.174 -13.753 1.00 -6.59 H ATOM 29 2HD LYS A 2 42.218 -13.498 -14.933 1.00 -6.59 H ATOM 30 CE LYS A 2 41.108 -12.018 -13.861 1.00 -6.59 C ATOM 31 1HE LYS A 2 42.075 -11.783 -13.413 1.00 -6.59 H ATOM 32 2HE LYS A 2 40.901 -11.272 -14.632 1.00 -6.59 H ATOM 33 NZ LYS A 2 40.070 -11.920 -12.786 1.00 -6.59 N ATOM 34 1HZ LYS A 2 40.106 -11.025 -12.311 1.00 -6.59 H ATOM 35 2HZ LYS A 2 40.180 -12.659 -12.105 1.00 -6.59 H ATOM 36 3HZ LYS A 2 39.132 -11.977 -13.183 1.00 -6.59 H ATOM 37 N LEU A 3 38.847 -16.126 -17.565 1.00-16.22 N ATOM 38 H LEU A 3 39.159 -15.405 -18.191 1.00-16.22 H ATOM 39 CA LEU A 3 39.337 -17.489 -17.795 1.00-16.22 C ATOM 40 HA LEU A 3 38.502 -18.173 -17.942 1.00-16.22 H ATOM 41 C LEU A 3 40.201 -17.970 -16.628 1.00-16.22 C ATOM 42 O LEU A 3 41.074 -17.223 -16.187 1.00-16.22 O ATOM 43 CB LEU A 3 40.232 -17.454 -19.043 1.00-16.22 C ATOM 44 1HB LEU A 3 39.638 -17.094 -19.880 1.00-16.22 H ATOM 45 2HB LEU A 3 41.004 -16.708 -18.850 1.00-16.22 H ATOM 46 CG LEU A 3 40.962 -18.732 -19.489 1.00-16.22 C ATOM 47 HG LEU A 3 41.515 -19.137 -18.643 1.00-16.22 H ATOM 48 CD1 LEU A 3 40.018 -19.796 -19.999 1.00-16.22 C ATOM 49 1HD1 LEU A 3 40.579 -20.704 -20.232 1.00-16.22 H ATOM 50 2HD1 LEU A 3 39.524 -19.454 -20.904 1.00-16.22 H ATOM 51 3HD1 LEU A 3 39.275 -20.039 -19.242 1.00-16.22 H ATOM 52 CD2 LEU A 3 41.966 -18.388 -20.584 1.00-16.22 C ATOM 53 1HD2 LEU A 3 42.498 -19.290 -20.891 1.00-16.22 H ATOM 54 2HD2 LEU A 3 42.696 -17.671 -20.205 1.00-16.22 H ATOM 55 3HD2 LEU A 3 41.458 -17.962 -21.451 1.00-16.22 H ATOM 56 N ILE A 4 40.014 -19.203 -16.165 1.00 3.53 N ATOM 57 H ILE A 4 39.204 -19.737 -16.477 1.00 3.53 H ATOM 58 CA ILE A 4 40.956 -19.817 -15.214 1.00 3.53 C ATOM 59 HA ILE A 4 41.838 -19.180 -15.163 1.00 3.53 H ATOM 60 C ILE A 4 41.467 -21.216 -15.577 1.00 3.53 C ATOM 61 O ILE A 4 42.316 -21.768 -14.872 1.00 3.53 O ATOM 62 CB ILE A 4 40.380 -19.903 -13.770 1.00 3.53 C ATOM 63 HB ILE A 4 41.163 -20.313 -13.145 1.00 3.53 H ATOM 64 CG1 ILE A 4 39.178 -20.868 -13.697 1.00 3.53 C ATOM 65 1HG1 ILE A 4 38.276 -20.332 -13.991 1.00 3.53 H ATOM 66 2HG1 ILE A 4 39.317 -21.680 -14.405 1.00 3.53 H ATOM 67 CG2 ILE A 4 40.067 -18.492 -13.223 1.00 3.53 C ATOM 68 1HG2 ILE A 4 39.798 -18.551 -12.170 1.00 3.53 H ATOM 69 2HG2 ILE A 4 39.236 -18.048 -13.778 1.00 3.53 H ATOM 70 3HG2 ILE A 4 40.940 -17.848 -13.335 1.00 3.53 H ATOM 71 CD1 ILE A 4 38.964 -21.515 -12.316 1.00 3.53 C ATOM 72 1HD1 ILE A 4 38.058 -22.122 -12.339 1.00 3.53 H ATOM 73 2HD1 ILE A 4 38.853 -20.750 -11.550 1.00 3.53 H ATOM 74 3HD1 ILE A 4 39.810 -22.157 -12.073 1.00 3.53 H ATOM 75 N GLY A 5 40.952 -21.815 -16.641 1.00 6.64 N ATOM 76 H GLY A 5 40.270 -21.349 -17.228 1.00 6.64 H ATOM 77 CA GLY A 5 41.315 -23.183 -16.973 1.00 6.64 C ATOM 78 1HA GLY A 5 42.362 -23.228 -17.263 1.00 6.64 H ATOM 79 2HA GLY A 5 41.151 -23.828 -16.108 1.00 6.64 H ATOM 80 C GLY A 5 40.447 -23.651 -18.118 1.00 6.64 C ATOM 81 O GLY A 5 39.783 -22.823 -18.733 1.00 6.64 O ATOM 82 N SER A 6 40.398 -24.942 -18.391 1.00 -1.48 N ATOM 83 H SER A 6 40.947 -25.598 -17.835 1.00 -1.48 H ATOM 84 CA SER A 6 39.534 -25.480 -19.440 1.00 -1.48 C ATOM 85 HA SER A 6 39.086 -24.675 -20.015 1.00 -1.48 H ATOM 86 C SER A 6 38.437 -26.306 -18.795 1.00 -1.48 C ATOM 87 O SER A 6 38.613 -26.784 -17.686 1.00 -1.48 O ATOM 88 CB SER A 6 40.334 -26.363 -20.389 1.00 -1.48 C ATOM 89 1HB SER A 6 40.795 -27.170 -19.820 1.00 -1.48 H ATOM 90 2HB SER A 6 39.669 -26.787 -21.139 1.00 -1.48 H ATOM 91 OG SER A 6 41.341 -25.604 -21.032 1.00 -1.48 O ATOM 92 HG SER A 6 42.202 -25.992 -20.799 1.00 -1.48 H ATOM 93 N CYS A 7 37.324 -26.497 -19.480 1.00 16.99 N ATOM 94 H CYS A 7 37.207 -26.038 -20.383 1.00 16.99 H ATOM 95 CA CYS A 7 36.262 -27.385 -19.019 1.00 16.99 C ATOM 96 HA CYS A 7 36.564 -27.865 -18.089 1.00 16.99 H ATOM 97 C CYS A 7 36.007 -28.486 -20.046 1.00 16.99 C ATOM 98 O CYS A 7 35.227 -29.401 -19.793 1.00 16.99 O ATOM 99 CB CYS A 7 34.985 -26.601 -18.742 1.00 16.99 C ATOM 100 1HB CYS A 7 34.227 -27.294 -18.373 1.00 16.99 H ATOM 101 2HB CYS A 7 35.186 -25.861 -17.969 1.00 16.99 H ATOM 102 SG CYS A 7 34.350 -25.747 -20.213 1.00 16.99 S ATOM 103 N VAL A 8 36.694 -28.442 -21.181 1.00 20.06 N ATOM 104 H VAL A 8 37.233 -27.627 -21.430 1.00 20.06 H ATOM 105 CA VAL A 8 36.728 -29.607 -22.060 1.00 20.06 C ATOM 106 HA VAL A 8 35.706 -29.967 -22.179 1.00 20.06 H ATOM 107 C VAL A 8 37.531 -30.680 -21.316 1.00 20.06 C ATOM 108 O VAL A 8 38.588 -30.408 -20.730 1.00 20.06 O ATOM 109 CB VAL A 8 37.284 -29.274 -23.483 1.00 20.06 C ATOM 110 HB VAL A 8 36.689 -28.454 -23.879 1.00 20.06 H ATOM 111 CG1 VAL A 8 38.747 -28.816 -23.465 1.00 20.06 C ATOM 112 1HG1 VAL A 8 39.063 -28.568 -24.478 1.00 20.06 H ATOM 113 2HG1 VAL A 8 39.386 -29.613 -23.085 1.00 20.06 H ATOM 114 3HG1 VAL A 8 38.855 -27.933 -22.841 1.00 20.06 H ATOM 115 CG2 VAL A 8 37.115 -30.463 -24.434 1.00 20.06 C ATOM 116 1HG2 VAL A 8 37.428 -30.175 -25.439 1.00 20.06 H ATOM 117 2HG2 VAL A 8 36.067 -30.761 -24.472 1.00 20.06 H ATOM 118 3HG2 VAL A 8 37.724 -31.308 -24.102 1.00 20.06 H ATOM 119 N TRP A 9 36.995 -31.891 -21.287 1.00-24.03 N ATOM 120 H TRP A 9 36.136 -32.060 -21.780 1.00-24.03 H ATOM 121 CA TRP A 9 37.619 -32.997 -20.569 1.00-24.03 C ATOM 122 HA TRP A 9 37.748 -32.719 -19.524 1.00-24.03 H ATOM 123 C TRP A 9 38.985 -33.319 -21.169 1.00-24.03 C ATOM 124 O TRP A 9 39.145 -33.356 -22.385 1.00-24.03 O ATOM 125 CB TRP A 9 36.716 -34.233 -20.662 1.00-24.03 C ATOM 126 1HB TRP A 9 35.718 -33.967 -20.312 1.00-24.03 H ATOM 127 2HB TRP A 9 36.645 -34.531 -21.709 1.00-24.03 H ATOM 128 CG TRP A 9 37.213 -35.412 -19.867 1.00-24.03 C ATOM 129 CD1 TRP A 9 38.171 -36.307 -20.235 1.00-24.03 C ATOM 130 HD1 TRP A 9 38.691 -36.279 -21.187 1.00-24.03 H ATOM 131 CD2 TRP A 9 36.775 -35.841 -18.564 1.00-24.03 C ATOM 132 NE1 TRP A 9 38.406 -37.228 -19.251 1.00-24.03 N ATOM 133 HE1 TRP A 9 39.080 -37.977 -19.318 1.00-24.03 H ATOM 134 CE2 TRP A 9 37.576 -36.962 -18.197 1.00-24.03 C ATOM 135 CE3 TRP A 9 35.775 -35.404 -17.673 1.00-24.03 C ATOM 136 HE3 TRP A 9 35.134 -34.578 -17.937 1.00-24.03 H ATOM 137 CZ2 TRP A 9 37.434 -37.616 -16.955 1.00-24.03 C ATOM 138 HZ2 TRP A 9 38.056 -38.462 -16.701 1.00-24.03 H ATOM 139 CZ3 TRP A 9 35.630 -36.056 -16.421 1.00-24.03 C ATOM 140 HZ3 TRP A 9 34.872 -35.721 -15.727 1.00-24.03 H ATOM 141 CH2 TRP A 9 36.469 -37.156 -16.077 1.00-24.03 C ATOM 142 HH2 TRP A 9 36.343 -37.643 -15.120 1.00-24.03 H ATOM 143 N GLY A 10 39.960 -33.596 -20.315 1.00 21.80 N ATOM 144 H GLY A 10 39.798 -33.503 -19.325 1.00 21.80 H ATOM 145 CA GLY A 10 41.248 -34.098 -20.773 1.00 21.80 C ATOM 146 1HA GLY A 10 41.674 -34.712 -19.981 1.00 21.80 H ATOM 147 2HA GLY A 10 41.090 -34.736 -21.643 1.00 21.80 H ATOM 148 C GLY A 10 42.280 -33.054 -21.145 1.00 21.80 C ATOM 149 O GLY A 10 43.413 -33.397 -21.474 1.00 21.80 O ATOM 150 N ALA A 11 41.925 -31.780 -21.067 1.00 8.89 N ATOM 151 H ALA A 11 40.973 -31.538 -20.834 1.00 8.89 H ATOM 152 CA ALA A 11 42.914 -30.725 -21.248 1.00 8.89 C ATOM 153 HA ALA A 11 43.460 -30.897 -22.177 1.00 8.89 H ATOM 154 C ALA A 11 43.891 -30.793 -20.065 1.00 8.89 C ATOM 155 O ALA A 11 43.523 -31.209 -18.970 1.00 8.89 O ATOM 156 CB ALA A 11 42.216 -29.368 -21.311 1.00 8.89 C ATOM 157 1HB ALA A 11 41.522 -29.353 -22.150 1.00 8.89 H ATOM 158 2HB ALA A 11 42.953 -28.576 -21.449 1.00 8.89 H ATOM 159 3HB ALA A 11 41.667 -29.192 -20.386 1.00 8.89 H ATOM 160 N THR A 12 45.115 -30.318 -20.242 1.00-16.75 N ATOM 161 H THR A 12 45.389 -29.927 -21.129 1.00-16.75 H ATOM 162 CA THR A 12 46.114 -30.357 -19.168 1.00-16.75 C ATOM 163 HA THR A 12 46.156 -31.361 -18.745 1.00-16.75 H ATOM 164 C THR A 12 45.791 -29.390 -18.031 1.00-16.75 C ATOM 165 O THR A 12 46.318 -29.498 -16.932 1.00-16.75 O ATOM 166 CB THR A 12 47.495 -29.986 -19.731 1.00-16.75 C ATOM 167 HB THR A 12 48.213 -29.888 -18.916 1.00-16.75 H ATOM 168 OG1 THR A 12 47.380 -28.754 -20.449 1.00-16.75 O ATOM 169 HG1 THR A 12 48.266 -28.471 -20.694 1.00-16.75 H ATOM 170 CG2 THR A 12 47.994 -31.027 -20.724 1.00-16.75 C ATOM 171 1HG2 THR A 12 49.004 -30.771 -21.039 1.00-16.75 H ATOM 172 2HG2 THR A 12 47.346 -31.064 -21.600 1.00-16.75 H ATOM 173 3HG2 THR A 12 48.014 -32.010 -20.250 1.00-16.75 H ATOM 174 N ASN A 13 44.887 -28.462 -18.305 1.00 4.66 N ATOM 175 H ASN A 13 44.519 -28.411 -19.245 1.00 4.66 H ATOM 176 CA ASN A 13 44.386 -27.488 -17.339 1.00 4.66 C ATOM 177 HA ASN A 13 44.867 -27.661 -16.375 1.00 4.66 H ATOM 178 C ASN A 13 42.876 -27.668 -17.149 1.00 4.66 C ATOM 179 O ASN A 13 42.143 -26.709 -16.883 1.00 4.66 O ATOM 180 CB ASN A 13 44.732 -26.065 -17.808 1.00 4.66 C ATOM 181 1HB ASN A 13 44.469 -25.361 -17.019 1.00 4.66 H ATOM 182 2HB ASN A 13 45.806 -26.005 -17.981 1.00 4.66 H ATOM 183 CG ASN A 13 44.013 -25.661 -19.077 1.00 4.66 C ATOM 184 OD1 ASN A 13 43.646 -26.482 -19.909 1.00 4.66 O ATOM 185 ND2 ASN A 13 43.814 -24.383 -19.246 1.00 4.66 N ATOM 186 1HD2 ASN A 13 43.326 -24.075 -20.072 1.00 4.66 H ATOM 187 2HD2 ASN A 13 44.154 -23.724 -18.566 1.00 4.66 H ATOM 188 N TYR A 14 42.401 -28.893 -17.330 1.00 9.06 N ATOM 189 H TYR A 14 43.034 -29.655 -17.559 1.00 9.06 H ATOM 190 CA TYR A 14 40.985 -29.205 -17.150 1.00 9.06 C ATOM 191 HA TYR A 14 40.401 -28.521 -17.761 1.00 9.06 H ATOM 192 C TYR A 14 40.567 -29.020 -15.692 1.00 9.06 C ATOM 193 O TYR A 14 41.202 -29.513 -14.766 1.00 9.06 O ATOM 194 CB TYR A 14 40.698 -30.641 -17.600 1.00 9.06 C ATOM 195 1HB TYR A 14 40.888 -30.709 -18.668 1.00 9.06 H ATOM 196 2HB TYR A 14 41.390 -31.309 -17.086 1.00 9.06 H ATOM 197 CG TYR A 14 39.290 -31.128 -17.334 1.00 9.06 C ATOM 198 CD1 TYR A 14 38.171 -30.352 -17.696 1.00 9.06 C ATOM 199 HD1 TYR A 14 38.310 -29.404 -18.193 1.00 9.06 H ATOM 200 CD2 TYR A 14 39.068 -32.380 -16.725 1.00 9.06 C ATOM 201 HD2 TYR A 14 39.909 -32.993 -16.429 1.00 9.06 H ATOM 202 CE1 TYR A 14 36.858 -30.803 -17.426 1.00 9.06 C ATOM 203 HE1 TYR A 14 36.010 -30.188 -17.672 1.00 9.06 H ATOM 204 CE2 TYR A 14 37.747 -32.850 -16.493 1.00 9.06 C ATOM 205 HE2 TYR A 14 37.581 -33.816 -16.037 1.00 9.06 H ATOM 206 CZ TYR A 14 36.659 -32.048 -16.845 1.00 9.06 C ATOM 207 OH TYR A 14 35.371 -32.451 -16.612 1.00 9.06 O ATOM 208 HH TYR A 14 34.727 -31.823 -16.950 1.00 9.06 H ATOM 209 N THR A 15 39.486 -28.280 -15.509 1.00 21.87 N ATOM 210 H THR A 15 39.019 -27.883 -16.325 1.00 21.87 H ATOM 211 CA THR A 15 38.909 -27.968 -14.210 1.00 21.87 C ATOM 212 HA THR A 15 39.465 -28.477 -13.423 1.00 21.87 H ATOM 213 C THR A 15 37.470 -28.476 -14.239 1.00 21.87 C ATOM 214 O THR A 15 36.571 -27.812 -14.754 1.00 21.87 O ATOM 215 CB THR A 15 38.958 -26.442 -13.970 1.00 21.87 C ATOM 216 HB THR A 15 38.291 -25.941 -14.671 1.00 21.87 H ATOM 217 OG1 THR A 15 40.295 -25.979 -14.190 1.00 21.87 O ATOM 218 HG1 THR A 15 40.644 -26.433 -14.965 1.00 21.87 H ATOM 219 CG2 THR A 15 38.586 -26.074 -12.551 1.00 21.87 C ATOM 220 1HG2 THR A 15 38.600 -24.989 -12.451 1.00 21.87 H ATOM 221 2HG2 THR A 15 39.305 -26.506 -11.855 1.00 21.87 H ATOM 222 3HG2 THR A 15 37.585 -26.434 -12.316 1.00 21.87 H ATOM 223 N SER A 16 37.261 -29.692 -13.754 1.00 8.03 N ATOM 224 H SER A 16 38.025 -30.223 -13.360 1.00 8.03 H ATOM 225 CA SER A 16 35.939 -30.318 -13.786 1.00 8.03 C ATOM 226 HA SER A 16 35.556 -30.313 -14.806 1.00 8.03 H ATOM 227 C SER A 16 34.949 -29.578 -12.899 1.00 8.03 C ATOM 228 O SER A 16 33.836 -29.248 -13.305 1.00 8.03 O ATOM 229 CB SER A 16 36.078 -31.756 -13.291 1.00 8.03 C ATOM 230 1HB SER A 16 35.105 -32.133 -12.974 1.00 8.03 H ATOM 231 2HB SER A 16 36.459 -32.378 -14.099 1.00 8.03 H ATOM 232 OG SER A 16 37.006 -31.794 -12.215 1.00 8.03 O ATOM 233 HG SER A 16 37.094 -32.707 -11.922 1.00 8.03 H ATOM 234 N ASP A 17 35.387 -29.259 -11.693 1.00 -3.80 N ATOM 235 H ASP A 17 36.306 -29.567 -11.413 1.00 -3.80 H ATOM 236 CA ASP A 17 34.603 -28.460 -10.753 1.00 -3.80 C ATOM 237 HA ASP A 17 33.541 -28.657 -10.898 1.00 -3.80 H ATOM 238 C ASP A 17 34.867 -26.987 -11.034 1.00 -3.80 C ATOM 239 O ASP A 17 35.410 -26.260 -10.216 1.00 -3.80 O ATOM 240 CB ASP A 17 34.974 -28.799 -9.311 1.00 -3.80 C ATOM 241 1HB ASP A 17 34.824 -29.866 -9.146 1.00 -3.80 H ATOM 242 2HB ASP A 17 36.030 -28.574 -9.157 1.00 -3.80 H ATOM 243 CG ASP A 17 34.156 -28.012 -8.300 1.00 -3.80 C ATOM 244 OD1 ASP A 17 33.147 -27.350 -8.662 1.00 -3.80 O ATOM 245 OD2 ASP A 17 34.567 -28.025 -7.118 1.00 -3.80 O ATOM 246 N CYS A 18 34.523 -26.551 -12.233 1.00 4.12 N ATOM 247 H CYS A 18 34.117 -27.206 -12.895 1.00 4.12 H ATOM 248 CA CYS A 18 34.766 -25.169 -12.628 1.00 4.12 C ATOM 249 HA CYS A 18 35.833 -24.958 -12.562 1.00 4.12 H ATOM 250 C CYS A 18 34.041 -24.207 -11.684 1.00 4.12 C ATOM 251 O CYS A 18 34.600 -23.213 -11.230 1.00 4.12 O ATOM 252 CB CYS A 18 34.301 -24.976 -14.076 1.00 4.12 C ATOM 253 1HB CYS A 18 34.812 -25.704 -14.708 1.00 4.12 H ATOM 254 2HB CYS A 18 33.230 -25.166 -14.127 1.00 4.12 H ATOM 255 SG CYS A 18 34.612 -23.309 -14.733 1.00 4.12 S ATOM 256 N ASN A 19 32.798 -24.525 -11.346 1.00-16.17 N ATOM 257 H ASN A 19 32.416 -25.406 -11.645 1.00-16.17 H ATOM 258 CA ASN A 19 31.973 -23.595 -10.579 1.00-16.17 C ATOM 259 HA ASN A 19 31.985 -22.646 -11.110 1.00-16.17 H ATOM 260 C ASN A 19 32.505 -23.333 -9.168 1.00-16.17 C ATOM 261 O ASN A 19 32.670 -22.177 -8.767 1.00-16.17 O ATOM 262 CB ASN A 19 30.525 -24.103 -10.536 1.00-16.17 C ATOM 263 1HB ASN A 19 30.276 -24.510 -11.514 1.00-16.17 H ATOM 264 2HB ASN A 19 30.435 -24.897 -9.796 1.00-16.17 H ATOM 265 CG ASN A 19 29.521 -23.008 -10.227 1.00-16.17 C ATOM 266 OD1 ASN A 19 29.779 -22.063 -9.496 1.00-16.17 O ATOM 267 ND2 ASN A 19 28.355 -23.125 -10.800 1.00-16.17 N ATOM 268 1HD2 ASN A 19 27.669 -22.407 -10.647 1.00-16.17 H ATOM 269 2HD2 ASN A 19 28.170 -23.901 -11.412 1.00-16.17 H ATOM 270 N ALA A 20 32.807 -24.374 -8.401 1.00-25.98 N ATOM 271 H ALA A 20 32.728 -25.338 -8.734 1.00-25.98 H ATOM 272 CA ALA A 20 33.274 -24.141 -7.042 1.00-25.98 C ATOM 273 HA ALA A 20 32.820 -23.219 -6.686 1.00-25.98 H ATOM 274 C ALA A 20 34.786 -23.931 -6.983 1.00-25.98 C ATOM 275 O ALA A 20 35.249 -23.314 -6.034 1.00-25.98 O ATOM 276 CB ALA A 20 32.800 -25.236 -6.092 1.00-25.98 C ATOM 277 1HB ALA A 20 31.714 -25.315 -6.130 1.00-25.98 H ATOM 278 2HB ALA A 20 33.112 -24.997 -5.075 1.00-25.98 H ATOM 279 3HB ALA A 20 33.228 -26.188 -6.377 1.00-25.98 H ATOM 280 N GLU A 21 35.559 -24.318 -7.989 1.00-22.29 N ATOM 281 H GLU A 21 35.196 -24.904 -8.743 1.00-22.29 H ATOM 282 CA GLU A 21 36.962 -23.890 -8.033 1.00-22.29 C ATOM 283 HA GLU A 21 37.436 -24.146 -7.088 1.00-22.29 H ATOM 284 C GLU A 21 37.025 -22.383 -8.186 1.00-22.29 C ATOM 285 O GLU A 21 37.812 -21.727 -7.519 1.00-22.29 O ATOM 286 CB GLU A 21 37.748 -24.560 -9.165 1.00-22.29 C ATOM 287 1HB GLU A 21 37.669 -25.640 -9.048 1.00-22.29 H ATOM 288 2HB GLU A 21 37.286 -24.287 -10.114 1.00-22.29 H ATOM 289 CG GLU A 21 39.226 -24.188 -9.239 1.00-22.29 C ATOM 290 1HG GLU A 21 39.643 -24.600 -10.157 1.00-22.29 H ATOM 291 2HG GLU A 21 39.311 -23.104 -9.299 1.00-22.29 H ATOM 292 CD GLU A 21 40.066 -24.675 -8.060 1.00-22.29 C ATOM 293 OE1 GLU A 21 39.604 -25.485 -7.226 1.00-22.29 O ATOM 294 OE2 GLU A 21 41.227 -24.217 -7.968 1.00-22.29 O ATOM 295 N CYS A 22 36.140 -21.805 -8.982 1.00-19.74 N ATOM 296 H CYS A 22 35.507 -22.366 -9.552 1.00-19.74 H ATOM 297 CA CYS A 22 36.065 -20.353 -9.049 1.00-19.74 C ATOM 298 HA CYS A 22 37.035 -19.958 -9.353 1.00-19.74 H ATOM 299 C CYS A 22 35.736 -19.753 -7.686 1.00-19.74 C ATOM 300 O CYS A 22 36.371 -18.791 -7.272 1.00-19.74 O ATOM 301 CB CYS A 22 35.023 -19.943 -10.077 1.00-19.74 C ATOM 302 1HB CYS A 22 34.105 -20.501 -9.906 1.00-19.74 H ATOM 303 2HB CYS A 22 34.808 -18.884 -9.963 1.00-19.74 H ATOM 304 SG CYS A 22 35.592 -20.221 -11.778 1.00-19.74 S ATOM 305 N LYS A 23 34.816 -20.349 -6.941 1.00-20.32 N ATOM 306 H LYS A 23 34.324 -21.154 -7.309 1.00-20.32 H ATOM 307 CA LYS A 23 34.516 -19.861 -5.587 1.00-20.32 C ATOM 308 HA LYS A 23 34.286 -18.796 -5.648 1.00-20.32 H ATOM 309 C LYS A 23 35.714 -20.001 -4.649 1.00-20.32 C ATOM 310 O LYS A 23 35.974 -19.115 -3.845 1.00-20.32 O ATOM 311 CB LYS A 23 33.305 -20.589 -5.000 1.00-20.32 C ATOM 312 1HB LYS A 23 33.523 -21.655 -4.975 1.00-20.32 H ATOM 313 2HB LYS A 23 33.151 -20.247 -3.976 1.00-20.32 H ATOM 314 CG LYS A 23 32.019 -20.369 -5.788 1.00-20.32 C ATOM 315 1HG LYS A 23 31.746 -19.314 -5.751 1.00-20.32 H ATOM 316 2HG LYS A 23 32.185 -20.652 -6.822 1.00-20.32 H ATOM 317 CD LYS A 23 30.883 -21.221 -5.238 1.00-20.32 C ATOM 318 1HD LYS A 23 31.226 -22.255 -5.181 1.00-20.32 H ATOM 319 2HD LYS A 23 30.623 -20.883 -4.235 1.00-20.32 H ATOM 320 CE LYS A 23 29.650 -21.176 -6.139 1.00-20.32 C ATOM 321 1HE LYS A 23 29.958 -21.419 -7.159 1.00-20.32 H ATOM 322 2HE LYS A 23 28.951 -21.945 -5.806 1.00-20.32 H ATOM 323 NZ LYS A 23 28.942 -19.852 -6.141 1.00-20.32 N ATOM 324 1HZ LYS A 23 28.154 -19.878 -6.772 1.00-20.32 H ATOM 325 2HZ LYS A 23 29.569 -19.113 -6.454 1.00-20.32 H ATOM 326 3HZ LYS A 23 28.622 -19.621 -5.213 1.00-20.32 H ATOM 327 N ARG A 24 36.484 -21.075 -4.773 1.00-20.80 N ATOM 328 H ARG A 24 36.227 -21.793 -5.448 1.00-20.80 H ATOM 329 CA ARG A 24 37.703 -21.256 -3.971 1.00-20.80 C ATOM 330 HA ARG A 24 37.467 -21.082 -2.921 1.00-20.80 H ATOM 331 C ARG A 24 38.775 -20.241 -4.348 1.00-20.80 C ATOM 332 O ARG A 24 39.561 -19.832 -3.506 1.00-20.80 O ATOM 333 CB ARG A 24 38.257 -22.680 -4.125 1.00-20.80 C ATOM 334 1HB ARG A 24 38.348 -22.917 -5.184 1.00-20.80 H ATOM 335 2HB ARG A 24 39.254 -22.704 -3.683 1.00-20.80 H ATOM 336 CG ARG A 24 37.409 -23.746 -3.429 1.00-20.80 C ATOM 337 1HG ARG A 24 37.329 -23.480 -2.375 1.00-20.80 H ATOM 338 2HG ARG A 24 36.409 -23.763 -3.854 1.00-20.80 H ATOM 339 CD ARG A 24 38.019 -25.147 -3.524 1.00-20.80 C ATOM 340 1HD ARG A 24 39.056 -25.092 -3.189 1.00-20.80 H ATOM 341 2HD ARG A 24 37.482 -25.811 -2.845 1.00-20.80 H ATOM 342 NE ARG A 24 37.991 -25.729 -4.874 1.00-20.80 N ATOM 343 HE ARG A 24 38.808 -25.571 -5.471 1.00-20.80 H ATOM 344 CZ ARG A 24 37.028 -26.469 -5.408 1.00-20.80 C ATOM 345 NH1 ARG A 24 37.230 -26.990 -6.576 1.00-20.80 N ATOM 346 1HH1 ARG A 24 38.105 -26.795 -7.059 1.00-20.80 H ATOM 347 2HH1 ARG A 24 36.494 -27.544 -7.004 1.00-20.80 H ATOM 348 NH2 ARG A 24 35.877 -26.723 -4.846 1.00-20.80 N ATOM 349 1HH2 ARG A 24 35.664 -26.359 -3.938 1.00-20.80 H ATOM 350 2HH2 ARG A 24 35.200 -27.280 -5.371 1.00-20.80 H ATOM 351 N ARG A 25 38.777 -19.794 -5.595 1.00-19.44 N ATOM 352 H ARG A 25 38.137 -20.217 -6.264 1.00-19.44 H ATOM 353 CA ARG A 25 39.672 -18.726 -6.060 1.00-19.44 C ATOM 354 HA ARG A 25 40.586 -18.761 -5.466 1.00-19.44 H ATOM 355 C ARG A 25 39.080 -17.325 -5.859 1.00-19.44 C ATOM 356 O ARG A 25 39.629 -16.356 -6.368 1.00-19.44 O ATOM 357 CB ARG A 25 40.058 -18.966 -7.528 1.00-19.44 C ATOM 358 1HB ARG A 25 39.153 -18.994 -8.133 1.00-19.44 H ATOM 359 2HB ARG A 25 40.681 -18.139 -7.868 1.00-19.44 H ATOM 360 CG ARG A 25 40.840 -20.266 -7.741 1.00-19.44 C ATOM 361 1HG ARG A 25 41.715 -20.267 -7.091 1.00-19.44 H ATOM 362 2HG ARG A 25 40.214 -21.111 -7.469 1.00-19.44 H ATOM 363 CD ARG A 25 41.299 -20.454 -9.183 1.00-19.44 C ATOM 364 1HD ARG A 25 40.448 -20.301 -9.848 1.00-19.44 H ATOM 365 2HD ARG A 25 42.076 -19.724 -9.413 1.00-19.44 H ATOM 366 NE ARG A 25 41.812 -21.819 -9.369 1.00-19.44 N ATOM 367 HE ARG A 25 41.687 -22.467 -8.586 1.00-19.44 H ATOM 368 CZ ARG A 25 42.351 -22.340 -10.461 1.00-19.44 C ATOM 369 NH1 ARG A 25 42.595 -23.617 -10.461 1.00-19.44 N ATOM 370 1HH1 ARG A 25 42.350 -24.156 -9.628 1.00-19.44 H ATOM 371 2HH1 ARG A 25 42.989 -24.069 -11.267 1.00-19.44 H ATOM 372 NH2 ARG A 25 42.641 -21.656 -11.536 1.00-19.44 N ATOM 373 1HH2 ARG A 25 42.497 -20.662 -11.542 1.00-19.44 H ATOM 374 2HH2 ARG A 25 42.973 -22.121 -12.370 1.00-19.44 H ATOM 375 N GLY A 26 37.996 -17.211 -5.099 1.00-24.07 N ATOM 376 H GLY A 26 37.549 -18.040 -4.729 1.00-24.07 H ATOM 377 CA GLY A 26 37.456 -15.915 -4.705 1.00-24.07 C ATOM 378 1HA GLY A 26 37.007 -16.028 -3.719 1.00-24.07 H ATOM 379 2HA GLY A 26 38.281 -15.209 -4.613 1.00-24.07 H ATOM 380 C GLY A 26 36.408 -15.285 -5.604 1.00-24.07 C ATOM 381 O GLY A 26 35.961 -14.167 -5.362 1.00-24.07 O ATOM 382 N TYR A 27 36.004 -15.987 -6.649 1.00 12.18 N ATOM 383 H TYR A 27 36.372 -16.921 -6.791 1.00 12.18 H ATOM 384 CA TYR A 27 35.024 -15.475 -7.604 1.00 12.18 C ATOM 385 HA TYR A 27 35.125 -14.393 -7.692 1.00 12.18 H ATOM 386 C TYR A 27 33.599 -15.807 -7.176 1.00 12.18 C ATOM 387 O TYR A 27 33.378 -16.654 -6.312 1.00 12.18 O ATOM 388 CB TYR A 27 35.284 -16.097 -8.967 1.00 12.18 C ATOM 389 1HB TYR A 27 35.256 -17.175 -8.870 1.00 12.18 H ATOM 390 2HB TYR A 27 34.494 -15.800 -9.652 1.00 12.18 H ATOM 391 CG TYR A 27 36.608 -15.687 -9.568 1.00 12.18 C ATOM 392 CD1 TYR A 27 37.775 -16.450 -9.361 1.00 12.18 C ATOM 393 HD1 TYR A 27 37.738 -17.324 -8.732 1.00 12.18 H ATOM 394 CD2 TYR A 27 36.689 -14.543 -10.381 1.00 12.18 C ATOM 395 HD2 TYR A 27 35.805 -13.944 -10.539 1.00 12.18 H ATOM 396 CE1 TYR A 27 39.004 -16.073 -9.958 1.00 12.18 C ATOM 397 HE1 TYR A 27 39.892 -16.657 -9.774 1.00 12.18 H ATOM 398 CE2 TYR A 27 37.910 -14.174 -10.999 1.00 12.18 C ATOM 399 HE2 TYR A 27 37.949 -13.303 -11.629 1.00 12.18 H ATOM 400 CZ TYR A 27 39.057 -14.940 -10.773 1.00 12.18 C ATOM 401 OH TYR A 27 40.256 -14.584 -11.339 1.00 12.18 O ATOM 402 HH TYR A 27 40.965 -15.169 -11.060 1.00 12.18 H ATOM 403 N LYS A 28 32.617 -15.182 -7.813 1.00 -9.05 N ATOM 404 H LYS A 28 32.842 -14.540 -8.571 1.00 -9.05 H ATOM 405 CA LYS A 28 31.207 -15.390 -7.456 1.00 -9.05 C ATOM 406 HA LYS A 28 31.065 -15.156 -6.400 1.00 -9.05 H ATOM 407 C LYS A 28 30.760 -16.824 -7.709 1.00 -9.05 C ATOM 408 O LYS A 28 29.927 -17.372 -6.989 1.00 -9.05 O ATOM 409 CB LYS A 28 30.320 -14.492 -8.318 1.00 -9.05 C ATOM 410 1HB LYS A 28 30.463 -14.807 -9.343 1.00 -9.05 H ATOM 411 2HB LYS A 28 29.273 -14.667 -8.065 1.00 -9.05 H ATOM 412 CG LYS A 28 30.598 -12.995 -8.264 1.00 -9.05 C ATOM 413 1HG LYS A 28 30.224 -12.568 -7.334 1.00 -9.05 H ATOM 414 2HG LYS A 28 31.669 -12.812 -8.350 1.00 -9.05 H ATOM 415 CD LYS A 28 29.913 -12.370 -9.465 1.00 -9.05 C ATOM 416 1HD LYS A 28 30.256 -12.906 -10.343 1.00 -9.05 H ATOM 417 2HD LYS A 28 28.831 -12.490 -9.382 1.00 -9.05 H ATOM 418 CE LYS A 28 30.259 -10.919 -9.671 1.00 -9.05 C ATOM 419 1HE LYS A 28 29.768 -10.298 -8.921 1.00 -9.05 H ATOM 420 2HE LYS A 28 31.342 -10.798 -9.587 1.00 -9.05 H ATOM 421 NZ LYS A 28 29.843 -10.521 -11.061 1.00 -9.05 N ATOM 422 1HZ LYS A 28 30.303 -9.648 -11.308 1.00 -9.05 H ATOM 423 2HZ LYS A 28 28.841 -10.434 -11.127 1.00 -9.05 H ATOM 424 3HZ LYS A 28 30.168 -11.217 -11.721 1.00 -9.05 H ATOM 425 N GLY A 29 31.299 -17.427 -8.754 1.00 -0.11 N ATOM 426 H GLY A 29 31.992 -16.944 -9.316 1.00 -0.11 H ATOM 427 CA GLY A 29 30.906 -18.754 -9.188 1.00 -0.11 C ATOM 428 1HA GLY A 29 31.215 -19.513 -8.473 1.00 -0.11 H ATOM 429 2HA GLY A 29 29.831 -18.795 -9.359 1.00 -0.11 H ATOM 430 C GLY A 29 31.641 -18.936 -10.491 1.00 -0.11 C ATOM 431 O GLY A 29 32.482 -18.090 -10.793 1.00 -0.11 O ATOM 432 N GLY A 30 31.344 -19.967 -11.263 1.00 10.74 N ATOM 433 H GLY A 30 30.637 -20.638 -10.982 1.00 10.74 H ATOM 434 CA GLY A 30 31.998 -20.144 -12.547 1.00 10.74 C ATOM 435 1HA GLY A 30 32.070 -19.178 -13.045 1.00 10.74 H ATOM 436 2HA GLY A 30 32.998 -20.541 -12.399 1.00 10.74 H ATOM 437 C GLY A 30 31.237 -21.078 -13.454 1.00 10.74 C ATOM 438 O GLY A 30 30.328 -21.779 -12.999 1.00 10.74 O ATOM 439 N HIS A 31 31.578 -21.070 -14.733 1.00-10.26 N ATOM 440 H HIS A 31 32.377 -20.505 -15.036 1.00-10.26 H ATOM 441 CA HIS A 31 30.831 -21.791 -15.754 1.00-10.26 C ATOM 442 HA HIS A 31 30.268 -22.593 -15.281 1.00-10.26 H ATOM 443 C HIS A 31 31.773 -22.376 -16.796 1.00-10.26 C ATOM 444 O HIS A 31 32.852 -21.844 -17.063 1.00-10.26 O ATOM 445 CB HIS A 31 29.855 -20.848 -16.477 1.00-10.26 C ATOM 446 1HB HIS A 31 30.309 -20.541 -17.420 1.00-10.26 H ATOM 447 2HB HIS A 31 28.937 -21.389 -16.704 1.00-10.26 H ATOM 448 CG HIS A 31 29.522 -19.601 -15.714 1.00-10.26 C ATOM 449 ND1 HIS A 31 30.119 -18.391 -15.994 1.00-10.26 N ATOM 450 CD2 HIS A 31 28.662 -19.395 -14.674 1.00-10.26 C ATOM 451 HD2 HIS A 31 28.047 -20.163 -14.230 1.00-10.26 H ATOM 452 CE1 HIS A 31 29.588 -17.501 -15.104 1.00-10.26 C ATOM 453 HE1 HIS A 31 29.855 -16.452 -15.068 1.00-10.26 H ATOM 454 NE2 HIS A 31 28.700 -18.086 -14.262 1.00-10.26 N ATOM 455 HE2 HIS A 31 28.191 -17.638 -13.491 1.00-10.26 H ATOM 456 N CYS A 32 31.329 -23.446 -17.435 1.00 -8.88 N ATOM 457 H CYS A 32 30.444 -23.849 -17.183 1.00 -8.88 H ATOM 458 CA CYS A 32 31.993 -23.953 -18.627 1.00 -8.88 C ATOM 459 HA CYS A 32 33.072 -23.813 -18.565 1.00 -8.88 H ATOM 460 C CYS A 32 31.403 -23.097 -19.738 1.00 -8.88 C ATOM 461 O CYS A 32 30.199 -22.843 -19.716 1.00 -8.88 O ATOM 462 CB CYS A 32 31.638 -25.429 -18.828 1.00 -8.88 C ATOM 463 1HB CYS A 32 31.944 -25.977 -17.937 1.00 -8.88 H ATOM 464 2HB CYS A 32 30.555 -25.509 -18.922 1.00 -8.88 H ATOM 465 SG CYS A 32 32.384 -26.243 -20.278 1.00 -8.88 S ATOM 466 N GLY A 33 32.208 -22.607 -20.667 1.00 26.36 N ATOM 467 H GLY A 33 33.209 -22.804 -20.647 1.00 26.36 H ATOM 468 CA GLY A 33 31.679 -21.717 -21.683 1.00 26.36 C ATOM 469 1HA GLY A 33 30.987 -22.270 -22.316 1.00 26.36 H ATOM 470 2HA GLY A 33 31.112 -20.935 -21.179 1.00 26.36 H ATOM 471 C GLY A 33 32.714 -21.050 -22.561 1.00 26.36 C ATOM 472 O GLY A 33 33.786 -21.605 -22.842 1.00 26.36 O ATOM 473 N SER A 34 32.374 -19.833 -22.968 1.00 39.63 N ATOM 474 H SER A 34 31.482 -19.467 -22.675 1.00 39.63 H ATOM 475 CA SER A 34 33.197 -18.998 -23.845 1.00 39.63 C ATOM 476 HA SER A 34 32.638 -18.091 -24.071 1.00 39.63 H ATOM 477 C SER A 34 33.437 -19.732 -25.169 1.00 39.63 C ATOM 478 O SER A 34 32.569 -20.476 -25.626 1.00 39.63 O ATOM 479 CB SER A 34 34.488 -18.579 -23.124 1.00 39.63 C ATOM 480 1HB SER A 34 34.229 -18.243 -22.119 1.00 39.63 H ATOM 481 2HB SER A 34 35.149 -19.439 -23.040 1.00 39.63 H ATOM 482 OG SER A 34 35.173 -17.529 -23.790 1.00 39.63 O ATOM 483 HG SER A 34 35.396 -16.852 -23.138 1.00 39.63 H ATOM 484 N PHE A 35 34.573 -19.500 -25.813 1.00-20.96 N ATOM 485 H PHE A 35 35.257 -18.890 -25.384 1.00-20.96 H ATOM 486 CA PHE A 35 34.864 -20.076 -27.126 1.00-20.96 C ATOM 487 HA PHE A 35 34.166 -19.654 -27.847 1.00-20.96 H ATOM 488 C PHE A 35 34.696 -21.595 -27.154 1.00-20.96 C ATOM 489 O PHE A 35 35.394 -22.318 -26.443 1.00-20.96 O ATOM 490 CB PHE A 35 36.287 -19.695 -27.538 1.00-20.96 C ATOM 491 1HB PHE A 35 36.361 -18.608 -27.576 1.00-20.96 H ATOM 492 2HB PHE A 35 36.980 -20.058 -26.782 1.00-20.96 H ATOM 493 CG PHE A 35 36.706 -20.258 -28.868 1.00-20.96 C ATOM 494 CD1 PHE A 35 36.359 -19.604 -30.064 1.00-20.96 C ATOM 495 HD1 PHE A 35 35.769 -18.700 -30.034 1.00-20.96 H ATOM 496 CD2 PHE A 35 37.469 -21.439 -28.928 1.00-20.96 C ATOM 497 HD2 PHE A 35 37.725 -21.964 -28.018 1.00-20.96 H ATOM 498 CE1 PHE A 35 36.790 -20.111 -31.316 1.00-20.96 C ATOM 499 HE1 PHE A 35 36.523 -19.600 -32.230 1.00-20.96 H ATOM 500 CE2 PHE A 35 37.916 -21.949 -30.169 1.00-20.96 C ATOM 501 HE2 PHE A 35 38.504 -22.855 -30.203 1.00-20.96 H ATOM 502 CZ PHE A 35 37.581 -21.279 -31.365 1.00-20.96 C ATOM 503 HZ PHE A 35 37.921 -21.665 -32.316 1.00-20.96 H ATOM 504 N TRP A 36 33.716 -22.028 -27.943 1.00 1.53 N ATOM 505 H TRP A 36 33.156 -21.334 -28.406 1.00 1.53 H ATOM 506 CA TRP A 36 33.361 -23.434 -28.190 1.00 1.53 C ATOM 507 HA TRP A 36 32.392 -23.441 -28.687 1.00 1.53 H ATOM 508 C TRP A 36 33.193 -24.313 -26.942 1.00 1.53 C ATOM 509 O TRP A 36 33.368 -25.524 -27.010 1.00 1.53 O ATOM 510 CB TRP A 36 34.362 -24.058 -29.174 1.00 1.53 C ATOM 511 1HB TRP A 36 35.364 -23.959 -28.762 1.00 1.53 H ATOM 512 2HB TRP A 36 34.142 -25.119 -29.287 1.00 1.53 H ATOM 513 CG TRP A 36 34.362 -23.456 -30.560 1.00 1.53 C ATOM 514 CD1 TRP A 36 33.487 -22.550 -31.090 1.00 1.53 C ATOM 515 HD1 TRP A 36 32.645 -22.136 -30.556 1.00 1.53 H ATOM 516 CD2 TRP A 36 35.285 -23.755 -31.624 1.00 1.53 C ATOM 517 NE1 TRP A 36 33.801 -22.247 -32.386 1.00 1.53 N ATOM 518 HE1 TRP A 36 33.285 -21.603 -32.967 1.00 1.53 H ATOM 519 CE2 TRP A 36 34.908 -22.963 -32.748 1.00 1.53 C ATOM 520 CE3 TRP A 36 36.397 -24.614 -31.742 1.00 1.53 C ATOM 521 HE3 TRP A 36 36.698 -25.232 -30.909 1.00 1.53 H ATOM 522 CZ2 TRP A 36 35.618 -22.996 -33.966 1.00 1.53 C ATOM 523 HZ2 TRP A 36 35.313 -22.385 -34.802 1.00 1.53 H ATOM 524 CZ3 TRP A 36 37.117 -24.649 -32.966 1.00 1.53 C ATOM 525 HZ3 TRP A 36 37.972 -25.302 -33.067 1.00 1.53 H ATOM 526 CH2 TRP A 36 36.715 -23.834 -34.065 1.00 1.53 C ATOM 527 HH2 TRP A 36 37.272 -23.878 -34.990 1.00 1.53 H ATOM 528 N ASN A 37 32.874 -23.698 -25.807 1.00 2.44 N ATOM 529 H ASN A 37 32.727 -22.693 -25.823 1.00 2.44 H ATOM 530 CA ASN A 37 32.770 -24.369 -24.503 1.00 2.44 C ATOM 531 HA ASN A 37 32.631 -23.592 -23.757 1.00 2.44 H ATOM 532 C ASN A 37 34.044 -25.129 -24.121 1.00 2.44 C ATOM 533 O ASN A 37 34.010 -26.113 -23.392 1.00 2.44 O ATOM 534 CB ASN A 37 31.538 -25.281 -24.419 1.00 2.44 C ATOM 535 1HB ASN A 37 31.645 -26.096 -25.132 1.00 2.44 H ATOM 536 2HB ASN A 37 31.476 -25.705 -23.417 1.00 2.44 H ATOM 537 CG ASN A 37 30.259 -24.546 -24.698 1.00 2.44 C ATOM 538 OD1 ASN A 37 30.094 -23.389 -24.344 1.00 2.44 O ATOM 539 ND2 ASN A 37 29.341 -25.202 -25.353 1.00 2.44 N ATOM 540 1HD2 ASN A 37 28.472 -24.738 -25.547 1.00 2.44 H ATOM 541 2HD2 ASN A 37 29.513 -26.149 -25.642 1.00 2.44 H ATOM 542 N VAL A 38 35.183 -24.661 -24.609 1.00 16.54 N ATOM 543 H VAL A 38 35.164 -23.875 -25.255 1.00 16.54 H ATOM 544 CA VAL A 38 36.476 -25.257 -24.274 1.00 16.54 C ATOM 545 HA VAL A 38 36.411 -26.342 -24.329 1.00 16.54 H ATOM 546 C VAL A 38 36.826 -24.852 -22.846 1.00 16.54 C ATOM 547 O VAL A 38 37.502 -25.577 -22.112 1.00 16.54 O ATOM 548 CB VAL A 38 37.563 -24.756 -25.284 1.00 16.54 C ATOM 549 HB VAL A 38 37.547 -23.670 -25.290 1.00 16.54 H ATOM 550 CG1 VAL A 38 38.985 -25.203 -24.918 1.00 16.54 C ATOM 551 1HG1 VAL A 38 39.689 -24.832 -25.663 1.00 16.54 H ATOM 552 2HG1 VAL A 38 39.041 -26.288 -24.882 1.00 16.54 H ATOM 553 3HG1 VAL A 38 39.272 -24.792 -23.948 1.00 16.54 H ATOM 554 CG2 VAL A 38 37.236 -25.251 -26.700 1.00 16.54 C ATOM 555 1HG2 VAL A 38 37.959 -24.850 -27.409 1.00 16.54 H ATOM 556 2HG2 VAL A 38 36.244 -24.918 -26.993 1.00 16.54 H ATOM 557 3HG2 VAL A 38 37.261 -26.342 -26.733 1.00 16.54 H ATOM 558 N ASN A 39 36.371 -23.675 -22.445 1.00 0.40 N ATOM 559 H ASN A 39 35.584 -23.257 -22.924 1.00 0.40 H ATOM 560 CA ASN A 39 37.024 -22.912 -21.387 1.00 0.40 C ATOM 561 HA ASN A 39 38.012 -23.328 -21.198 1.00 0.40 H ATOM 562 C ASN A 39 36.250 -22.844 -20.075 1.00 0.40 C ATOM 563 O ASN A 39 35.044 -22.626 -20.075 1.00 0.40 O ATOM 564 CB ASN A 39 37.193 -21.482 -21.884 1.00 0.40 C ATOM 565 1HB ASN A 39 36.215 -21.074 -22.116 1.00 0.40 H ATOM 566 2HB ASN A 39 37.639 -20.897 -21.087 1.00 0.40 H ATOM 567 CG ASN A 39 38.072 -21.383 -23.095 1.00 0.40 C ATOM 568 OD1 ASN A 39 39.277 -21.459 -22.997 1.00 0.40 O ATOM 569 ND2 ASN A 39 37.483 -21.182 -24.240 1.00 0.40 N ATOM 570 1HD2 ASN A 39 38.060 -21.092 -25.060 1.00 0.40 H ATOM 571 2HD2 ASN A 39 36.478 -21.170 -24.310 1.00 0.40 H ATOM 572 N CYS A 40 36.956 -22.932 -18.960 1.00 -4.91 N ATOM 573 H CYS A 40 37.966 -23.053 -19.009 1.00 -4.91 H ATOM 574 CA CYS A 40 36.375 -22.713 -17.638 1.00 -4.91 C ATOM 575 HA CYS A 40 35.305 -22.921 -17.644 1.00 -4.91 H ATOM 576 C CYS A 40 36.601 -21.238 -17.324 1.00 -4.91 C ATOM 577 O CYS A 40 37.747 -20.766 -17.287 1.00 -4.91 O ATOM 578 CB CYS A 40 37.067 -23.586 -16.583 1.00 -4.91 C ATOM 579 1HB CYS A 40 36.836 -24.633 -16.777 1.00 -4.91 H ATOM 580 2HB CYS A 40 38.141 -23.449 -16.682 1.00 -4.91 H ATOM 581 SG CYS A 40 36.633 -23.182 -14.858 1.00 -4.91 S ATOM 582 N TRP A 41 35.513 -20.511 -17.129 1.00 -8.23 N ATOM 583 H TRP A 41 34.594 -20.959 -17.150 1.00 -8.23 H ATOM 584 CA TRP A 41 35.559 -19.089 -16.812 1.00 -8.23 C ATOM 585 HA TRP A 41 36.586 -18.738 -16.735 1.00 -8.23 H ATOM 586 C TRP A 41 34.886 -18.889 -15.475 1.00 -8.23 C ATOM 587 O TRP A 41 33.952 -19.602 -15.132 1.00 -8.23 O ATOM 588 CB TRP A 41 34.816 -18.258 -17.861 1.00 -8.23 C ATOM 589 1HB TRP A 41 33.916 -18.789 -18.171 1.00 -8.23 H ATOM 590 2HB TRP A 41 34.516 -17.317 -17.400 1.00 -8.23 H ATOM 591 CG TRP A 41 35.660 -17.930 -19.053 1.00 -8.23 C ATOM 592 CD1 TRP A 41 36.267 -18.798 -19.894 1.00 -8.23 C ATOM 593 HD1 TRP A 41 36.185 -19.875 -19.803 1.00 -8.23 H ATOM 594 CD2 TRP A 41 36.025 -16.620 -19.526 1.00 -8.23 C ATOM 595 NE1 TRP A 41 37.006 -18.146 -20.844 1.00 -8.23 N ATOM 596 HE1 TRP A 41 37.559 -18.603 -21.555 1.00 -8.23 H ATOM 597 CE2 TRP A 41 36.886 -16.800 -20.646 1.00 -8.23 C ATOM 598 CE3 TRP A 41 35.726 -15.308 -19.107 1.00 -8.23 C ATOM 599 HE3 TRP A 41 35.063 -15.143 -18.273 1.00 -8.23 H ATOM 600 CZ2 TRP A 41 37.471 -15.717 -21.331 1.00 -8.23 C ATOM 601 HZ2 TRP A 41 38.133 -15.882 -22.169 1.00 -8.23 H ATOM 602 CZ3 TRP A 41 36.312 -14.213 -19.792 1.00 -8.23 C ATOM 603 HZ3 TRP A 41 36.095 -13.201 -19.473 1.00 -8.23 H ATOM 604 CH2 TRP A 41 37.186 -14.434 -20.896 1.00 -8.23 C ATOM 605 HH2 TRP A 41 37.624 -13.587 -21.406 1.00 -8.23 H ATOM 606 N CYS A 42 35.349 -17.896 -14.742 1.00-17.34 N ATOM 607 H CYS A 42 36.143 -17.355 -15.075 1.00-17.34 H ATOM 608 CA CYS A 42 34.737 -17.509 -13.488 1.00-17.34 C ATOM 609 HA CYS A 42 34.082 -18.300 -13.136 1.00-17.34 H ATOM 610 C CYS A 42 33.928 -16.244 -13.650 1.00-17.34 C ATOM 611 O CYS A 42 34.261 -15.383 -14.464 1.00-17.34 O ATOM 612 CB CYS A 42 35.803 -17.245 -12.444 1.00-17.34 C ATOM 613 1HB CYS A 42 36.428 -16.415 -12.776 1.00-17.34 H ATOM 614 2HB CYS A 42 35.295 -16.947 -11.533 1.00-17.34 H ATOM 615 SG CYS A 42 36.861 -18.669 -12.070 1.00-17.34 S ATOM 616 N GLU A 43 32.894 -16.158 -12.835 1.00 -7.75 N ATOM 617 H GLU A 43 32.733 -16.908 -12.168 1.00 -7.75 H ATOM 618 CA GLU A 43 31.961 -15.048 -12.812 1.00 -7.75 C ATOM 619 HA GLU A 43 31.800 -14.694 -13.827 1.00 -7.75 H ATOM 620 C GLU A 43 32.532 -13.928 -11.936 1.00 -7.75 C ATOM 621 O GLU A 43 32.895 -14.157 -10.772 1.00 -7.75 O ATOM 622 CB GLU A 43 30.656 -15.590 -12.242 1.00 -7.75 C ATOM 623 1HB GLU A 43 30.487 -16.570 -12.681 1.00 -7.75 H ATOM 624 2HB GLU A 43 30.784 -15.740 -11.176 1.00 -7.75 H ATOM 625 CG GLU A 43 29.423 -14.755 -12.482 1.00 -7.75 C ATOM 626 1HG GLU A 43 29.612 -13.729 -12.173 1.00 -7.75 H ATOM 627 2HG GLU A 43 29.187 -14.758 -13.547 1.00 -7.75 H ATOM 628 CD GLU A 43 28.252 -15.314 -11.696 1.00 -7.75 C ATOM 629 OE1 GLU A 43 27.882 -16.490 -11.930 1.00 -7.75 O ATOM 630 OE2 GLU A 43 27.738 -14.602 -10.805 1.00 -7.75 O ATOM 631 N GLU A 44 32.660 -12.735 -12.500 1.00 21.87 N ATOM 632 H GLU A 44 32.292 -12.585 -13.450 1.00 21.87 H ATOM 633 CA GLU A 44 33.358 -11.615 -11.857 1.00 21.87 C ATOM 634 HA GLU A 44 33.261 -11.679 -10.775 1.00 21.87 H ATOM 635 C GLU A 44 32.783 -10.291 -12.338 1.00 21.87 C ATOM 636 O GLU A 44 32.618 -10.170 -13.565 1.00 21.87 O ATOM 637 OXT GLU A 44 32.422 -9.440 -11.502 1.00 21.87 O ATOM 638 CB GLU A 44 34.834 -11.681 -12.248 1.00 21.87 C ATOM 639 1HB GLU A 44 35.198 -12.688 -12.063 1.00 21.87 H ATOM 640 2HB GLU A 44 34.891 -11.501 -13.311 1.00 21.87 H ATOM 641 CG GLU A 44 35.764 -10.694 -11.559 1.00 21.87 C ATOM 642 1HG GLU A 44 35.385 -9.682 -11.698 1.00 21.87 H ATOM 643 2HG GLU A 44 35.791 -10.920 -10.492 1.00 21.87 H ATOM 644 CD GLU A 44 37.175 -10.776 -12.134 1.00 21.87 C ATOM 645 OE1 GLU A 44 37.350 -11.357 -13.234 1.00 21.87 O ATOM 646 OE2 GLU A 44 38.143 -10.313 -11.493 1.00 21.87 O TER 647 GLU A 44 CONECT 102 99 465 CONECT 255 252 581 CONECT 304 301 615 CONECT 465 102 462 CONECT 581 255 578 CONECT 615 304 612 END
SEQUENCE	DKLIGSCVWGATNYTSDCNAECKRRGYKGGHCGSFWNVNCWCEE
HELICITY	0.00	INSTAB. INDEX	44.35	FLEXIBILITY	16.40
a HYD. MOM.	7.40	b HYD. MOM.	18.69	c HYD. MOM	3.56
a MEAN HYD. MOM.	0.17	b MEAN HYD. MOM.	0.42	c MEAN HYD. MOM.	0.08
CHARGE pH5	1.50	CHARGE pH7	-0.18	CHARGE pH9	-5.39
Δ CHARGE pH5-pH9	6.88	ISOELECTRIC POINT	6.72	BOMAN INDEX	1.96
ΔG	33	CPP	-0,73	MLP	-12,91
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans	3	OTHER	A.niger =2.9; C.fructus =2.9; C.wickerhamii =2.9; P.pastoris =2; P.stiptis =2.9; P.tannophilus =2.9; T.harzianum =2.9; Z.marxianus =2.9
MIC OTHER gram+	S. lutea = 1.9
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Lepidoptera
FAMILY	Pyralidae	GENUS	Galleria	SPECIES	Galleria mellonella
DATE	2007
TITLE PAPER	Purification and characterization of eight peptides from Galleria mellonella immune hemolymph