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ID	2488	NAME	heliomicin   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\DKLIGSCVWGAVNYTSDCNGECKRRGYKGGYCGSFANVNCWCET.pdb REMARK YASARA Written on: Wed May 14 21:00:02 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 634 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 VAL ASN SEQRES 2 A 44 TYR THR SER ASP CYS ASN GLY GLU CYS LYS ARG ARG GLY SEQRES 3 A 44 TYR LYS GLY GLY TYR CYS GLY SER PHE ALA ASN VAL ASN SEQRES 4 A 44 CYS TRP CYS GLU THR 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 36.135 -12.510 -10.952 1.00-12.28 N ATOM 2 1H ASP A 1 35.174 -12.317 -10.697 1.00-12.28 H ATOM 3 2H ASP A 1 36.339 -12.122 -11.861 1.00-12.28 H ATOM 4 3H ASP A 1 36.738 -12.091 -10.259 1.00-12.28 H ATOM 5 CA ASP A 1 36.346 -13.982 -10.974 1.00-12.28 C ATOM 6 HA ASP A 1 36.078 -14.377 -9.997 1.00-12.28 H ATOM 7 C ASP A 1 37.799 -14.318 -11.232 1.00-12.28 C ATOM 8 O ASP A 1 38.525 -13.499 -11.789 1.00-12.28 O ATOM 9 CB ASP A 1 35.429 -14.618 -12.012 1.00-12.28 C ATOM 10 1HB ASP A 1 35.566 -14.108 -12.967 1.00-12.28 H ATOM 11 2HB ASP A 1 35.696 -15.667 -12.132 1.00-12.28 H ATOM 12 CG ASP A 1 33.985 -14.527 -11.595 1.00-12.28 C ATOM 13 OD1 ASP A 1 33.762 -14.217 -10.403 1.00-12.28 O ATOM 14 OD2 ASP A 1 33.092 -14.698 -12.437 1.00-12.28 O ATOM 15 N LYS A 2 38.246 -15.492 -10.793 1.00 -4.87 N ATOM 16 H LYS A 2 37.578 -16.145 -10.376 1.00 -4.87 H ATOM 17 CA LYS A 2 39.668 -15.863 -10.833 1.00 -4.87 C ATOM 18 HA LYS A 2 40.181 -15.207 -11.534 1.00 -4.87 H ATOM 19 C LYS A 2 39.939 -17.307 -11.251 1.00 -4.87 C ATOM 20 O LYS A 2 39.519 -18.233 -10.578 1.00 -4.87 O ATOM 21 CB LYS A 2 40.242 -15.639 -9.425 1.00 -4.87 C ATOM 22 1HB LYS A 2 40.053 -14.604 -9.142 1.00 -4.87 H ATOM 23 2HB LYS A 2 39.696 -16.280 -8.732 1.00 -4.87 H ATOM 24 CG LYS A 2 41.733 -15.921 -9.238 1.00 -4.87 C ATOM 25 1HG LYS A 2 41.954 -15.860 -8.175 1.00 -4.87 H ATOM 26 2HG LYS A 2 41.953 -16.932 -9.571 1.00 -4.87 H ATOM 27 CD LYS A 2 42.640 -14.933 -9.964 1.00 -4.87 C ATOM 28 1HD LYS A 2 42.467 -14.985 -11.039 1.00 -4.87 H ATOM 29 2HD LYS A 2 42.405 -13.926 -9.616 1.00 -4.87 H ATOM 30 CE LYS A 2 44.111 -15.226 -9.668 1.00 -4.87 C ATOM 31 1HE LYS A 2 44.713 -14.385 -10.019 1.00 -4.87 H ATOM 32 2HE LYS A 2 44.237 -15.308 -8.585 1.00 -4.87 H ATOM 33 NZ LYS A 2 44.604 -16.487 -10.324 1.00 -4.87 N ATOM 34 1HZ LYS A 2 45.527 -16.720 -9.987 1.00 -4.87 H ATOM 35 2HZ LYS A 2 44.637 -16.368 -11.327 1.00 -4.87 H ATOM 36 3HZ LYS A 2 43.973 -17.260 -10.128 1.00 -4.87 H ATOM 37 N LEU A 3 40.694 -17.501 -12.322 1.00-10.00 N ATOM 38 H LEU A 3 40.946 -16.717 -12.899 1.00-10.00 H ATOM 39 CA LEU A 3 41.186 -18.829 -12.696 1.00-10.00 C ATOM 40 HA LEU A 3 40.347 -19.506 -12.854 1.00-10.00 H ATOM 41 C LEU A 3 42.097 -19.391 -11.604 1.00-10.00 C ATOM 42 O LEU A 3 43.012 -18.683 -11.169 1.00-10.00 O ATOM 43 CB LEU A 3 42.016 -18.701 -13.979 1.00-10.00 C ATOM 44 1HB LEU A 3 41.383 -18.269 -14.748 1.00-10.00 H ATOM 45 2HB LEU A 3 42.815 -17.989 -13.776 1.00-10.00 H ATOM 46 CG LEU A 3 42.677 -19.961 -14.560 1.00-10.00 C ATOM 47 HG LEU A 3 43.295 -20.423 -13.792 1.00-10.00 H ATOM 48 CD1 LEU A 3 41.664 -20.975 -15.038 1.00-10.00 C ATOM 49 1HD1 LEU A 3 42.176 -21.847 -15.450 1.00-10.00 H ATOM 50 2HD1 LEU A 3 41.041 -20.535 -15.812 1.00-10.00 H ATOM 51 3HD1 LEU A 3 41.036 -21.306 -14.215 1.00-10.00 H ATOM 52 CD2 LEU A 3 43.580 -19.568 -15.724 1.00-10.00 C ATOM 53 1HD2 LEU A 3 44.063 -20.458 -16.132 1.00-10.00 H ATOM 54 2HD2 LEU A 3 44.355 -18.882 -15.381 1.00-10.00 H ATOM 55 3HD2 LEU A 3 42.999 -19.090 -16.514 1.00-10.00 H ATOM 56 N ILE A 4 41.891 -20.633 -11.181 1.00 -3.91 N ATOM 57 H ILE A 4 41.059 -21.132 -11.499 1.00 -3.91 H ATOM 58 CA ILE A 4 42.811 -21.293 -10.239 1.00 -3.91 C ATOM 59 HA ILE A 4 43.678 -20.650 -10.102 1.00 -3.91 H ATOM 60 C ILE A 4 43.361 -22.644 -10.701 1.00 -3.91 C ATOM 61 O ILE A 4 44.169 -23.255 -10.002 1.00 -3.91 O ATOM 62 CB ILE A 4 42.172 -21.496 -8.836 1.00 -3.91 C ATOM 63 HB ILE A 4 42.912 -21.984 -8.205 1.00 -3.91 H ATOM 64 CG1 ILE A 4 40.942 -22.420 -8.927 1.00 -3.91 C ATOM 65 1HG1 ILE A 4 40.096 -21.845 -9.301 1.00 -3.91 H ATOM 66 2HG1 ILE A 4 41.141 -23.209 -9.647 1.00 -3.91 H ATOM 67 CG2 ILE A 4 41.853 -20.130 -8.190 1.00 -3.91 C ATOM 68 1HG2 ILE A 4 41.482 -20.277 -7.176 1.00 -3.91 H ATOM 69 2HG2 ILE A 4 41.087 -19.607 -8.769 1.00 -3.91 H ATOM 70 3HG2 ILE A 4 42.750 -19.514 -8.153 1.00 -3.91 H ATOM 71 CD1 ILE A 4 40.546 -23.101 -7.609 1.00 -3.91 C ATOM 72 1HD1 ILE A 4 39.629 -23.672 -7.761 1.00 -3.91 H ATOM 73 2HD1 ILE A 4 40.369 -22.357 -6.833 1.00 -3.91 H ATOM 74 3HD1 ILE A 4 41.333 -23.780 -7.291 1.00 -3.91 H ATOM 75 N GLY A 5 42.932 -23.130 -11.855 1.00 6.45 N ATOM 76 H GLY A 5 42.270 -22.624 -12.429 1.00 6.45 H ATOM 77 CA GLY A 5 43.368 -24.436 -12.316 1.00 6.45 C ATOM 78 1HA GLY A 5 44.356 -24.363 -12.767 1.00 6.45 H ATOM 79 2HA GLY A 5 43.402 -25.136 -11.481 1.00 6.45 H ATOM 80 C GLY A 5 42.376 -24.932 -13.338 1.00 6.45 C ATOM 81 O GLY A 5 41.567 -24.141 -13.816 1.00 6.45 O ATOM 82 N SER A 6 42.415 -26.210 -13.668 1.00 -5.16 N ATOM 83 H SER A 6 43.087 -26.825 -13.213 1.00 -5.16 H ATOM 84 CA SER A 6 41.484 -26.788 -14.630 1.00 -5.16 C ATOM 85 HA SER A 6 41.050 -26.004 -15.247 1.00 -5.16 H ATOM 86 C SER A 6 40.373 -27.525 -13.901 1.00 -5.16 C ATOM 87 O SER A 6 40.581 -28.008 -12.800 1.00 -5.16 O ATOM 88 CB SER A 6 42.219 -27.770 -15.534 1.00 -5.16 C ATOM 89 1HB SER A 6 42.682 -28.541 -14.918 1.00 -5.16 H ATOM 90 2HB SER A 6 41.512 -28.234 -16.219 1.00 -5.16 H ATOM 91 OG SER A 6 43.217 -27.093 -16.275 1.00 -5.16 O ATOM 92 HG SER A 6 44.059 -27.560 -16.146 1.00 -5.16 H ATOM 93 N CYS A 7 39.212 -27.640 -14.522 1.00 12.54 N ATOM 94 H CYS A 7 39.093 -27.196 -15.431 1.00 12.54 H ATOM 95 CA CYS A 7 38.102 -28.424 -13.991 1.00 12.54 C ATOM 96 HA CYS A 7 38.347 -28.797 -12.997 1.00 12.54 H ATOM 97 C CYS A 7 37.830 -29.624 -14.892 1.00 12.54 C ATOM 98 O CYS A 7 37.027 -30.487 -14.545 1.00 12.54 O ATOM 99 CB CYS A 7 36.846 -27.566 -13.899 1.00 12.54 C ATOM 100 1HB CYS A 7 36.027 -28.182 -13.529 1.00 12.54 H ATOM 101 2HB CYS A 7 37.021 -26.756 -13.195 1.00 12.54 H ATOM 102 SG CYS A 7 36.387 -26.846 -15.503 1.00 12.54 S ATOM 103 N VAL A 8 38.500 -29.701 -16.034 1.00 20.52 N ATOM 104 H VAL A 8 39.076 -28.936 -16.348 1.00 20.52 H ATOM 105 CA VAL A 8 38.454 -30.923 -16.828 1.00 20.52 C ATOM 106 HA VAL A 8 37.417 -31.255 -16.872 1.00 20.52 H ATOM 107 C VAL A 8 39.254 -31.970 -16.043 1.00 20.52 C ATOM 108 O VAL A 8 40.363 -31.709 -15.558 1.00 20.52 O ATOM 109 CB VAL A 8 38.937 -30.703 -18.298 1.00 20.52 C ATOM 110 HB VAL A 8 38.315 -29.919 -18.728 1.00 20.52 H ATOM 111 CG1 VAL A 8 40.391 -30.232 -18.390 1.00 20.52 C ATOM 112 1HG1 VAL A 8 40.651 -30.060 -19.434 1.00 20.52 H ATOM 113 2HG1 VAL A 8 41.057 -30.991 -17.980 1.00 20.52 H ATOM 114 3HG1 VAL A 8 40.518 -29.301 -17.844 1.00 20.52 H ATOM 115 CG2 VAL A 8 38.732 -31.966 -19.141 1.00 20.52 C ATOM 116 1HG2 VAL A 8 38.998 -31.759 -20.178 1.00 20.52 H ATOM 117 2HG2 VAL A 8 37.685 -32.267 -19.107 1.00 20.52 H ATOM 118 3HG2 VAL A 8 39.359 -32.780 -18.769 1.00 20.52 H ATOM 119 N TRP A 9 38.649 -33.133 -15.854 1.00-28.92 N ATOM 120 H TRP A 9 37.756 -33.297 -16.284 1.00-28.92 H ATOM 121 CA TRP A 9 39.229 -34.188 -15.029 1.00-28.92 C ATOM 122 HA TRP A 9 39.408 -33.800 -14.027 1.00-28.92 H ATOM 123 C TRP A 9 40.553 -34.678 -15.606 1.00-28.92 C ATOM 124 O TRP A 9 40.683 -34.871 -16.811 1.00-28.92 O ATOM 125 CB TRP A 9 38.246 -35.361 -14.951 1.00-28.92 C ATOM 126 1HB TRP A 9 37.301 -35.002 -14.544 1.00-28.92 H ATOM 127 2HB TRP A 9 38.069 -35.735 -15.960 1.00-28.92 H ATOM 128 CG TRP A 9 38.742 -36.501 -14.105 1.00-28.92 C ATOM 129 CD1 TRP A 9 39.489 -37.564 -14.515 1.00-28.92 C ATOM 130 HD1 TRP A 9 39.805 -37.721 -15.539 1.00-28.92 H ATOM 131 CD2 TRP A 9 38.545 -36.695 -12.693 1.00-28.92 C ATOM 132 NE1 TRP A 9 39.799 -38.392 -13.470 1.00-28.92 N ATOM 133 HE1 TRP A 9 40.351 -39.233 -13.552 1.00-28.92 H ATOM 134 CE2 TRP A 9 39.247 -37.881 -12.327 1.00-28.92 C ATOM 135 CE3 TRP A 9 37.849 -35.987 -11.695 1.00-28.92 C ATOM 136 HE3 TRP A 9 37.291 -35.099 -11.947 1.00-28.92 H ATOM 137 CZ2 TRP A 9 39.291 -38.352 -10.998 1.00-28.92 C ATOM 138 HZ2 TRP A 9 39.833 -39.251 -10.747 1.00-28.92 H ATOM 139 CZ3 TRP A 9 37.894 -36.451 -10.355 1.00-28.92 C ATOM 140 HZ3 TRP A 9 37.380 -35.899 -9.579 1.00-28.92 H ATOM 141 CH2 TRP A 9 38.621 -37.631 -10.024 1.00-28.92 C ATOM 142 HH2 TRP A 9 38.647 -37.968 -8.997 1.00-28.92 H ATOM 143 N GLY A 10 41.525 -34.916 -14.735 1.00 14.15 N ATOM 144 H GLY A 10 41.386 -34.701 -13.759 1.00 14.15 H ATOM 145 CA GLY A 10 42.774 -35.537 -15.149 1.00 14.15 C ATOM 146 1HA GLY A 10 43.198 -36.058 -14.290 1.00 14.15 H ATOM 147 2HA GLY A 10 42.562 -36.277 -15.921 1.00 14.15 H ATOM 148 C GLY A 10 43.830 -34.595 -15.685 1.00 14.15 C ATOM 149 O GLY A 10 44.926 -35.028 -16.032 1.00 14.15 O ATOM 150 N ALA A 11 43.533 -33.305 -15.744 1.00 14.91 N ATOM 151 H ALA A 11 42.609 -32.988 -15.489 1.00 14.91 H ATOM 152 CA ALA A 11 44.548 -32.331 -16.122 1.00 14.91 C ATOM 153 HA ALA A 11 45.010 -32.640 -17.061 1.00 14.91 H ATOM 154 C ALA A 11 45.616 -32.304 -15.020 1.00 14.91 C ATOM 155 O ALA A 11 45.319 -32.534 -13.851 1.00 14.91 O ATOM 156 CB ALA A 11 43.907 -30.957 -16.299 1.00 14.91 C ATOM 157 1HB ALA A 11 43.149 -31.006 -17.080 1.00 14.91 H ATOM 158 2HB ALA A 11 44.662 -30.225 -16.583 1.00 14.91 H ATOM 159 3HB ALA A 11 43.436 -30.649 -15.365 1.00 14.91 H ATOM 160 N VAL A 12 46.844 -31.948 -15.368 1.00-19.27 N ATOM 161 H VAL A 12 47.048 -31.734 -16.329 1.00-19.27 H ATOM 162 CA VAL A 12 47.942 -31.897 -14.392 1.00-19.27 C ATOM 163 HA VAL A 12 47.959 -32.842 -13.846 1.00-19.27 H ATOM 164 C VAL A 12 47.768 -30.790 -13.350 1.00-19.27 C ATOM 165 O VAL A 12 48.436 -30.760 -12.326 1.00-19.27 O ATOM 166 CB VAL A 12 49.316 -31.730 -15.105 1.00-19.27 C ATOM 167 HB VAL A 12 50.097 -31.707 -14.347 1.00-19.27 H ATOM 168 CG1 VAL A 12 49.587 -32.928 -16.032 1.00-19.27 C ATOM 169 1HG1 VAL A 12 50.594 -32.850 -16.441 1.00-19.27 H ATOM 170 2HG1 VAL A 12 48.871 -32.962 -16.853 1.00-19.27 H ATOM 171 3HG1 VAL A 12 49.518 -33.855 -15.460 1.00-19.27 H ATOM 172 CG2 VAL A 12 49.388 -30.420 -15.924 1.00-19.27 C ATOM 173 1HG2 VAL A 12 50.379 -30.332 -16.373 1.00-19.27 H ATOM 174 2HG2 VAL A 12 49.239 -29.563 -15.267 1.00-19.27 H ATOM 175 3HG2 VAL A 12 48.642 -30.408 -16.716 1.00-19.27 H ATOM 176 N ASN A 13 46.838 -29.887 -13.622 1.00 10.91 N ATOM 177 H ASN A 13 46.337 -29.960 -14.495 1.00 10.91 H ATOM 178 CA ASN A 13 46.488 -28.775 -12.744 1.00 10.91 C ATOM 179 HA ASN A 13 47.044 -28.868 -11.810 1.00 10.91 H ATOM 180 C ASN A 13 44.993 -28.827 -12.418 1.00 10.91 C ATOM 181 O ASN A 13 44.349 -27.792 -12.227 1.00 10.91 O ATOM 182 CB ASN A 13 46.867 -27.444 -13.412 1.00 10.91 C ATOM 183 1HB ASN A 13 46.736 -26.640 -12.689 1.00 10.91 H ATOM 184 2HB ASN A 13 47.916 -27.480 -13.705 1.00 10.91 H ATOM 185 CG ASN A 13 46.029 -27.131 -14.632 1.00 10.91 C ATOM 186 OD1 ASN A 13 45.636 -28.008 -15.395 1.00 10.91 O ATOM 187 ND2 ASN A 13 45.749 -25.873 -14.834 1.00 10.91 N ATOM 188 1HD2 ASN A 13 45.169 -25.629 -15.622 1.00 10.91 H ATOM 189 2HD2 ASN A 13 46.112 -25.170 -14.216 1.00 10.91 H ATOM 190 N TYR A 14 44.430 -30.027 -12.407 1.00 1.81 N ATOM 191 H TYR A 14 44.991 -30.853 -12.590 1.00 1.81 H ATOM 192 CA TYR A 14 43.020 -30.220 -12.069 1.00 1.81 C ATOM 193 HA TYR A 14 42.413 -29.585 -12.708 1.00 1.81 H ATOM 194 C TYR A 14 42.751 -29.837 -10.613 1.00 1.81 C ATOM 195 O TYR A 14 43.493 -30.205 -9.704 1.00 1.81 O ATOM 196 CB TYR A 14 42.624 -31.681 -12.305 1.00 1.81 C ATOM 197 1HB TYR A 14 42.709 -31.893 -13.368 1.00 1.81 H ATOM 198 2HB TYR A 14 43.325 -32.321 -11.769 1.00 1.81 H ATOM 199 CG TYR A 14 41.223 -32.038 -11.856 1.00 1.81 C ATOM 200 CD1 TYR A 14 40.096 -31.444 -12.459 1.00 1.81 C ATOM 201 HD1 TYR A 14 40.228 -30.724 -13.253 1.00 1.81 H ATOM 202 CD2 TYR A 14 41.015 -32.975 -10.822 1.00 1.81 C ATOM 203 HD2 TYR A 14 41.862 -33.441 -10.338 1.00 1.81 H ATOM 204 CE1 TYR A 14 38.785 -31.771 -12.027 1.00 1.81 C ATOM 205 HE1 TYR A 14 37.930 -31.304 -12.481 1.00 1.81 H ATOM 206 CE2 TYR A 14 39.700 -33.310 -10.396 1.00 1.81 C ATOM 207 HE2 TYR A 14 39.541 -34.021 -9.599 1.00 1.81 H ATOM 208 CZ TYR A 14 38.602 -32.694 -10.999 1.00 1.81 C ATOM 209 OH TYR A 14 37.324 -32.972 -10.589 1.00 1.81 O ATOM 210 HH TYR A 14 36.673 -32.442 -11.048 1.00 1.81 H ATOM 211 N THR A 15 41.689 -29.080 -10.393 1.00 19.64 N ATOM 212 H THR A 15 41.128 -28.757 -11.180 1.00 19.64 H ATOM 213 CA THR A 15 41.243 -28.720 -9.053 1.00 19.64 C ATOM 214 HA THR A 15 42.096 -28.560 -8.395 1.00 19.64 H ATOM 215 C THR A 15 40.409 -29.889 -8.551 1.00 19.64 C ATOM 216 O THR A 15 39.513 -30.318 -9.266 1.00 19.64 O ATOM 217 CB THR A 15 40.369 -27.456 -9.133 1.00 19.64 C ATOM 218 HB THR A 15 39.927 -27.244 -8.165 1.00 19.64 H ATOM 219 OG1 THR A 15 39.335 -27.658 -10.101 1.00 19.64 O ATOM 220 HG1 THR A 15 39.081 -28.592 -10.052 1.00 19.64 H ATOM 221 CG2 THR A 15 41.182 -26.265 -9.587 1.00 19.64 C ATOM 222 1HG2 THR A 15 40.542 -25.389 -9.576 1.00 19.64 H ATOM 223 2HG2 THR A 15 41.544 -26.423 -10.602 1.00 19.64 H ATOM 224 3HG2 THR A 15 42.023 -26.105 -8.915 1.00 19.64 H ATOM 225 N SER A 16 40.693 -30.407 -7.363 1.00 -8.01 N ATOM 226 H SER A 16 41.383 -29.952 -6.771 1.00 -8.01 H ATOM 227 CA SER A 16 40.091 -31.664 -6.898 1.00 -8.01 C ATOM 228 HA SER A 16 40.376 -32.446 -7.602 1.00 -8.01 H ATOM 229 C SER A 16 38.562 -31.696 -6.843 1.00 -8.01 C ATOM 230 O SER A 16 37.962 -32.740 -7.066 1.00 -8.01 O ATOM 231 CB SER A 16 40.667 -32.031 -5.529 1.00 -8.01 C ATOM 232 1HB SER A 16 40.168 -32.927 -5.158 1.00 -8.01 H ATOM 233 2HB SER A 16 41.731 -32.240 -5.641 1.00 -8.01 H ATOM 234 OG SER A 16 40.511 -30.970 -4.598 1.00 -8.01 O ATOM 235 HG SER A 16 41.166 -30.280 -4.817 1.00 -8.01 H ATOM 236 N ASP A 17 37.933 -30.551 -6.630 1.00 -2.04 N ATOM 237 H ASP A 17 38.430 -29.756 -6.255 1.00 -2.04 H ATOM 238 CA ASP A 17 36.580 -30.300 -7.118 1.00 -2.04 C ATOM 239 HA ASP A 17 36.431 -30.809 -8.069 1.00 -2.04 H ATOM 240 C ASP A 17 36.638 -28.792 -7.307 1.00 -2.04 C ATOM 241 O ASP A 17 37.249 -28.119 -6.491 1.00 -2.04 O ATOM 242 CB ASP A 17 35.485 -30.701 -6.120 1.00 -2.04 C ATOM 243 1HB ASP A 17 34.629 -31.071 -6.684 1.00 -2.04 H ATOM 244 2HB ASP A 17 35.852 -31.503 -5.479 1.00 -2.04 H ATOM 245 CG ASP A 17 35.018 -29.540 -5.267 1.00 -2.04 C ATOM 246 OD1 ASP A 17 34.115 -28.791 -5.721 1.00 -2.04 O ATOM 247 OD2 ASP A 17 35.571 -29.324 -4.165 1.00 -2.04 O ATOM 248 N CYS A 18 36.100 -28.236 -8.379 1.00 1.59 N ATOM 249 H CYS A 18 35.588 -28.798 -9.036 1.00 1.59 H ATOM 250 CA CYS A 18 36.314 -26.810 -8.637 1.00 1.59 C ATOM 251 HA CYS A 18 37.387 -26.621 -8.641 1.00 1.59 H ATOM 252 C CYS A 18 35.701 -25.888 -7.575 1.00 1.59 C ATOM 253 O CYS A 18 36.335 -24.940 -7.115 1.00 1.59 O ATOM 254 CB CYS A 18 35.761 -26.459 -10.023 1.00 1.59 C ATOM 255 1HB CYS A 18 36.267 -27.080 -10.762 1.00 1.59 H ATOM 256 2HB CYS A 18 34.698 -26.696 -10.041 1.00 1.59 H ATOM 257 SG CYS A 18 35.947 -24.710 -10.502 1.00 1.59 S ATOM 258 N ASN A 19 34.471 -26.162 -7.165 1.00 -7.86 N ATOM 259 H ASN A 19 34.046 -27.043 -7.415 1.00 -7.86 H ATOM 260 CA ASN A 19 33.724 -25.218 -6.336 1.00 -7.86 C ATOM 261 HA ASN A 19 33.804 -24.226 -6.778 1.00 -7.86 H ATOM 262 C ASN A 19 34.308 -25.170 -4.925 1.00 -7.86 C ATOM 263 O ASN A 19 34.591 -24.110 -4.361 1.00 -7.86 O ATOM 264 CB ASN A 19 32.246 -25.634 -6.308 1.00 -7.86 C ATOM 265 1HB ASN A 19 31.963 -25.951 -7.310 1.00 -7.86 H ATOM 266 2HB ASN A 19 32.109 -26.474 -5.627 1.00 -7.86 H ATOM 267 CG ASN A 19 31.323 -24.504 -5.909 1.00 -7.86 C ATOM 268 OD1 ASN A 19 31.642 -23.663 -5.085 1.00 -7.86 O ATOM 269 ND2 ASN A 19 30.167 -24.465 -6.509 1.00 -7.86 N ATOM 270 1HD2 ASN A 19 29.535 -23.713 -6.292 1.00 -7.86 H ATOM 271 2HD2 ASN A 19 29.936 -25.153 -7.202 1.00 -7.86 H ATOM 272 N GLY A 20 34.557 -26.345 -4.373 1.00-16.62 N ATOM 273 H GLY A 20 34.354 -27.214 -4.877 1.00-16.62 H ATOM 274 CA GLY A 20 35.137 -26.439 -3.051 1.00-16.62 C ATOM 275 1HA GLY A 20 34.621 -25.747 -2.387 1.00-16.62 H ATOM 276 2HA GLY A 20 35.003 -27.451 -2.672 1.00-16.62 H ATOM 277 C GLY A 20 36.610 -26.104 -3.048 1.00-16.62 C ATOM 278 O GLY A 20 37.071 -25.621 -2.027 1.00-16.62 O ATOM 279 N GLU A 21 37.366 -26.290 -4.123 1.00-20.34 N ATOM 280 H GLU A 21 36.995 -26.758 -4.951 1.00-20.34 H ATOM 281 CA GLU A 21 38.752 -25.803 -4.134 1.00-20.34 C ATOM 282 HA GLU A 21 39.277 -26.164 -3.251 1.00-20.34 H ATOM 283 C GLU A 21 38.749 -24.295 -4.088 1.00-20.34 C ATOM 284 O GLU A 21 39.537 -23.711 -3.370 1.00-20.34 O ATOM 285 CB GLU A 21 39.535 -26.222 -5.372 1.00-20.34 C ATOM 286 1HB GLU A 21 38.896 -26.097 -6.245 1.00-20.34 H ATOM 287 2HB GLU A 21 40.397 -25.567 -5.493 1.00-20.34 H ATOM 288 CG GLU A 21 40.015 -27.651 -5.304 1.00-20.34 C ATOM 289 1HG GLU A 21 39.336 -28.227 -4.688 1.00-20.34 H ATOM 290 2HG GLU A 21 39.980 -28.067 -6.303 1.00-20.34 H ATOM 291 CD GLU A 21 41.421 -27.816 -4.786 1.00-20.34 C ATOM 292 OE1 GLU A 21 41.927 -27.001 -3.983 1.00-20.34 O ATOM 293 OE2 GLU A 21 42.062 -28.786 -5.242 1.00-20.34 O ATOM 294 N CYS A 22 37.830 -23.648 -4.785 1.00-17.76 N ATOM 295 H CYS A 22 37.187 -24.150 -5.395 1.00-17.76 H ATOM 296 CA CYS A 22 37.744 -22.199 -4.687 1.00-17.76 C ATOM 297 HA CYS A 22 38.703 -21.766 -4.969 1.00-17.76 H ATOM 298 C CYS A 22 37.451 -21.765 -3.256 1.00-17.76 C ATOM 299 O CYS A 22 38.137 -20.896 -2.728 1.00-17.76 O ATOM 300 CB CYS A 22 36.674 -21.688 -5.636 1.00-17.76 C ATOM 301 1HB CYS A 22 35.756 -22.254 -5.488 1.00-17.76 H ATOM 302 2HB CYS A 22 36.472 -20.642 -5.417 1.00-17.76 H ATOM 303 SG CYS A 22 37.193 -21.817 -7.370 1.00-17.76 S ATOM 304 N LYS A 23 36.512 -22.415 -2.582 1.00-19.37 N ATOM 305 H LYS A 23 35.974 -23.140 -3.049 1.00-19.37 H ATOM 306 CA LYS A 23 36.241 -22.085 -1.176 1.00-19.37 C ATOM 307 HA LYS A 23 36.039 -21.017 -1.105 1.00-19.37 H ATOM 308 C LYS A 23 37.441 -22.363 -0.269 1.00-19.37 C ATOM 309 O LYS A 23 37.757 -21.569 0.607 1.00-19.37 O ATOM 310 CB LYS A 23 35.011 -22.847 -0.680 1.00-19.37 C ATOM 311 1HB LYS A 23 35.181 -23.913 -0.825 1.00-19.37 H ATOM 312 2HB LYS A 23 34.891 -22.657 0.387 1.00-19.37 H ATOM 313 CG LYS A 23 33.724 -22.446 -1.394 1.00-19.37 C ATOM 314 1HG LYS A 23 33.527 -21.389 -1.215 1.00-19.37 H ATOM 315 2HG LYS A 23 33.842 -22.605 -2.462 1.00-19.37 H ATOM 316 CD LYS A 23 32.544 -23.279 -0.913 1.00-19.37 C ATOM 317 1HD LYS A 23 32.804 -24.334 -1.015 1.00-19.37 H ATOM 318 2HD LYS A 23 32.351 -23.065 0.138 1.00-19.37 H ATOM 319 CE LYS A 23 31.281 -23.016 -1.735 1.00-19.37 C ATOM 320 1HE LYS A 23 31.518 -23.181 -2.786 1.00-19.37 H ATOM 321 2HE LYS A 23 30.523 -23.744 -1.443 1.00-19.37 H ATOM 322 NZ LYS A 23 30.707 -21.636 -1.578 1.00-19.37 N ATOM 323 1HZ LYS A 23 29.889 -21.529 -2.161 1.00-19.37 H ATOM 324 2HZ LYS A 23 31.387 -20.933 -1.863 1.00-19.37 H ATOM 325 3HZ LYS A 23 30.458 -21.463 -0.615 1.00-19.37 H ATOM 326 N ARG A 24 38.150 -23.457 -0.511 1.00-25.56 N ATOM 327 H ARG A 24 37.851 -24.080 -1.257 1.00-25.56 H ATOM 328 CA ARG A 24 39.358 -23.805 0.252 1.00-25.56 C ATOM 329 HA ARG A 24 39.135 -23.780 1.319 1.00-25.56 H ATOM 330 C ARG A 24 40.499 -22.823 0.022 1.00-25.56 C ATOM 331 O ARG A 24 41.351 -22.659 0.883 1.00-25.56 O ATOM 332 CB ARG A 24 39.833 -25.211 -0.133 1.00-25.56 C ATOM 333 1HB ARG A 24 39.784 -25.313 -1.215 1.00-25.56 H ATOM 334 2HB ARG A 24 40.875 -25.318 0.170 1.00-25.56 H ATOM 335 CG ARG A 24 39.040 -26.340 0.524 1.00-25.56 C ATOM 336 1HG ARG A 24 39.236 -26.308 1.596 1.00-25.56 H ATOM 337 2HG ARG A 24 37.972 -26.199 0.363 1.00-25.56 H ATOM 338 CD ARG A 24 39.452 -27.712 -0.009 1.00-25.56 C ATOM 339 1HD ARG A 24 40.527 -27.705 -0.197 1.00-25.56 H ATOM 340 2HD ARG A 24 39.244 -28.453 0.764 1.00-25.56 H ATOM 341 NE ARG A 24 38.727 -28.114 -1.228 1.00-25.56 N ATOM 342 HE ARG A 24 37.930 -27.547 -1.485 1.00-25.56 H ATOM 343 CZ ARG A 24 39.004 -29.165 -1.993 1.00-25.56 C ATOM 344 NH1 ARG A 24 38.150 -29.593 -2.880 1.00-25.56 N ATOM 345 1HH1 ARG A 24 37.237 -29.162 -3.017 1.00-25.56 H ATOM 346 2HH1 ARG A 24 38.391 -30.370 -3.473 1.00-25.56 H ATOM 347 NH2 ARG A 24 40.131 -29.824 -1.909 1.00-25.56 N ATOM 348 1HH2 ARG A 24 40.822 -29.548 -1.239 1.00-25.56 H ATOM 349 2HH2 ARG A 24 40.311 -30.583 -2.552 1.00-25.56 H ATOM 350 N ARG A 25 40.511 -22.166 -1.128 1.00-12.77 N ATOM 351 H ARG A 25 39.785 -22.362 -1.810 1.00-12.77 H ATOM 352 CA ARG A 25 41.554 -21.200 -1.484 1.00-12.77 C ATOM 353 HA ARG A 25 42.412 -21.349 -0.828 1.00-12.77 H ATOM 354 C ARG A 25 41.092 -19.756 -1.270 1.00-12.77 C ATOM 355 O ARG A 25 41.757 -18.829 -1.717 1.00-12.77 O ATOM 356 CB ARG A 25 42.016 -21.454 -2.927 1.00-12.77 C ATOM 357 1HB ARG A 25 41.158 -21.335 -3.588 1.00-12.77 H ATOM 358 2HB ARG A 25 42.765 -20.710 -3.196 1.00-12.77 H ATOM 359 CG ARG A 25 42.625 -22.853 -3.150 1.00-12.77 C ATOM 360 1HG ARG A 25 43.529 -22.960 -2.550 1.00-12.77 H ATOM 361 2HG ARG A 25 41.917 -23.613 -2.834 1.00-12.77 H ATOM 362 CD ARG A 25 42.958 -23.088 -4.617 1.00-12.77 C ATOM 363 1HD ARG A 25 42.119 -22.740 -5.219 1.00-12.77 H ATOM 364 2HD ARG A 25 43.840 -22.501 -4.874 1.00-12.77 H ATOM 365 NE ARG A 25 43.191 -24.510 -4.932 1.00-12.77 N ATOM 366 HE ARG A 25 42.885 -25.195 -4.242 1.00-12.77 H ATOM 367 CZ ARG A 25 43.708 -24.998 -6.053 1.00-12.77 C ATOM 368 NH1 ARG A 25 43.801 -26.290 -6.195 1.00-12.77 N ATOM 369 1HH1 ARG A 25 43.432 -26.902 -5.465 1.00-12.77 H ATOM 370 2HH1 ARG A 25 44.220 -26.691 -7.014 1.00-12.77 H ATOM 371 NH2 ARG A 25 44.125 -24.249 -7.042 1.00-12.77 N ATOM 372 1HH2 ARG A 25 44.080 -23.252 -6.958 1.00-12.77 H ATOM 373 2HH2 ARG A 25 44.468 -24.658 -7.896 1.00-12.77 H ATOM 374 N GLY A 26 39.997 -19.569 -0.542 1.00-23.86 N ATOM 375 H GLY A 26 39.462 -20.364 -0.221 1.00-23.86 H ATOM 376 CA GLY A 26 39.580 -18.239 -0.110 1.00-23.86 C ATOM 377 1HA GLY A 26 39.112 -18.339 0.868 1.00-23.86 H ATOM 378 2HA GLY A 26 40.471 -17.624 0.014 1.00-23.86 H ATOM 379 C GLY A 26 38.612 -17.470 -0.991 1.00-23.86 C ATOM 380 O GLY A 26 38.357 -16.293 -0.752 1.00-23.86 O ATOM 381 N TYR A 27 38.055 -18.117 -2.000 1.00 6.96 N ATOM 382 H TYR A 27 38.259 -19.101 -2.136 1.00 6.96 H ATOM 383 CA TYR A 27 37.125 -17.473 -2.926 1.00 6.96 C ATOM 384 HA TYR A 27 37.238 -16.391 -2.870 1.00 6.96 H ATOM 385 C TYR A 27 35.689 -17.844 -2.562 1.00 6.96 C ATOM 386 O TYR A 27 35.459 -18.786 -1.805 1.00 6.96 O ATOM 387 CB TYR A 27 37.441 -17.917 -4.348 1.00 6.96 C ATOM 388 1HB TYR A 27 37.266 -18.985 -4.422 1.00 6.96 H ATOM 389 2HB TYR A 27 36.765 -17.406 -5.032 1.00 6.96 H ATOM 390 CG TYR A 27 38.870 -17.634 -4.765 1.00 6.96 C ATOM 391 CD1 TYR A 27 39.862 -18.632 -4.671 1.00 6.96 C ATOM 392 HD1 TYR A 27 39.604 -19.612 -4.301 1.00 6.96 H ATOM 393 CD2 TYR A 27 39.243 -16.364 -5.245 1.00 6.96 C ATOM 394 HD2 TYR A 27 38.507 -15.579 -5.304 1.00 6.96 H ATOM 395 CE1 TYR A 27 41.205 -18.359 -5.034 1.00 6.96 C ATOM 396 HE1 TYR A 27 41.956 -19.125 -4.932 1.00 6.96 H ATOM 397 CE2 TYR A 27 40.582 -16.094 -5.629 1.00 6.96 C ATOM 398 HE2 TYR A 27 40.858 -15.114 -5.987 1.00 6.96 H ATOM 399 CZ TYR A 27 41.549 -17.096 -5.516 1.00 6.96 C ATOM 400 OH TYR A 27 42.852 -16.848 -5.871 1.00 6.96 O ATOM 401 HH TYR A 27 43.436 -17.551 -5.583 1.00 6.96 H ATOM 402 N LYS A 28 34.709 -17.126 -3.097 1.00-12.51 N ATOM 403 H LYS A 28 34.928 -16.423 -3.798 1.00-12.51 H ATOM 404 CA LYS A 28 33.307 -17.299 -2.691 1.00-12.51 C ATOM 405 HA LYS A 28 33.234 -17.171 -1.612 1.00-12.51 H ATOM 406 C LYS A 28 32.748 -18.673 -3.044 1.00-12.51 C ATOM 407 O LYS A 28 31.931 -19.232 -2.314 1.00-12.51 O ATOM 408 CB LYS A 28 32.438 -16.254 -3.395 1.00-12.51 C ATOM 409 1HB LYS A 28 32.528 -16.424 -4.463 1.00-12.51 H ATOM 410 2HB LYS A 28 31.394 -16.414 -3.122 1.00-12.51 H ATOM 411 CG LYS A 28 32.801 -14.798 -3.120 1.00-12.51 C ATOM 412 1HG LYS A 28 32.505 -14.528 -2.107 1.00-12.51 H ATOM 413 2HG LYS A 28 33.875 -14.656 -3.236 1.00-12.51 H ATOM 414 CD LYS A 28 32.099 -13.909 -4.134 1.00-12.51 C ATOM 415 1HD LYS A 28 32.407 -14.225 -5.129 1.00-12.51 H ATOM 416 2HD LYS A 28 31.018 -14.036 -4.046 1.00-12.51 H ATOM 417 CE LYS A 28 32.455 -12.444 -3.963 1.00-12.51 C ATOM 418 1HE LYS A 28 31.993 -12.066 -3.050 1.00-12.51 H ATOM 419 2HE LYS A 28 33.541 -12.343 -3.883 1.00-12.51 H ATOM 420 NZ LYS A 28 31.986 -11.658 -5.154 1.00-12.51 N ATOM 421 1HZ LYS A 28 31.964 -10.674 -4.933 1.00-12.51 H ATOM 422 2HZ LYS A 28 31.071 -11.973 -5.445 1.00-12.51 H ATOM 423 3HZ LYS A 28 32.651 -11.782 -5.916 1.00-12.51 H ATOM 424 N GLY A 29 33.177 -19.213 -4.170 1.00 -0.11 N ATOM 425 H GLY A 29 33.859 -18.721 -4.736 1.00 -0.11 H ATOM 426 CA GLY A 29 32.675 -20.475 -4.682 1.00 -0.11 C ATOM 427 1HA GLY A 29 32.964 -21.307 -4.044 1.00 -0.11 H ATOM 428 2HA GLY A 29 31.593 -20.433 -4.808 1.00 -0.11 H ATOM 429 C GLY A 29 33.350 -20.581 -6.025 1.00 -0.11 C ATOM 430 O GLY A 29 34.222 -19.752 -6.278 1.00 -0.11 O ATOM 431 N GLY A 30 32.996 -21.518 -6.886 1.00 9.32 N ATOM 432 H GLY A 30 32.276 -22.193 -6.656 1.00 9.32 H ATOM 433 CA GLY A 30 33.615 -21.567 -8.200 1.00 9.32 C ATOM 434 1HA GLY A 30 33.545 -20.576 -8.648 1.00 9.32 H ATOM 435 2HA GLY A 30 34.664 -21.824 -8.100 1.00 9.32 H ATOM 436 C GLY A 30 32.975 -22.543 -9.152 1.00 9.32 C ATOM 437 O GLY A 30 32.231 -23.427 -8.730 1.00 9.32 O ATOM 438 N TYR A 31 33.221 -22.346 -10.438 1.00-18.10 N ATOM 439 H TYR A 31 33.904 -21.641 -10.722 1.00-18.10 H ATOM 440 CA TYR A 31 32.493 -23.043 -11.488 1.00-18.10 C ATOM 441 HA TYR A 31 32.034 -23.936 -11.067 1.00-18.10 H ATOM 442 C TYR A 31 33.426 -23.461 -12.617 1.00-18.10 C ATOM 443 O TYR A 31 34.472 -22.855 -12.860 1.00-18.10 O ATOM 444 CB TYR A 31 31.380 -22.124 -12.013 1.00-18.10 C ATOM 445 1HB TYR A 31 31.835 -21.289 -12.548 1.00-18.10 H ATOM 446 2HB TYR A 31 30.749 -22.681 -12.706 1.00-18.10 H ATOM 447 CG TYR A 31 30.527 -21.570 -10.885 1.00-18.10 C ATOM 448 CD1 TYR A 31 30.715 -20.249 -10.419 1.00-18.10 C ATOM 449 HD1 TYR A 31 31.400 -19.587 -10.931 1.00-18.10 H ATOM 450 CD2 TYR A 31 29.589 -22.387 -10.217 1.00-18.10 C ATOM 451 HD2 TYR A 31 29.400 -23.390 -10.572 1.00-18.10 H ATOM 452 CE1 TYR A 31 30.031 -19.781 -9.263 1.00-18.10 C ATOM 453 HE1 TYR A 31 30.177 -18.773 -8.912 1.00-18.10 H ATOM 454 CE2 TYR A 31 28.916 -21.920 -9.052 1.00-18.10 C ATOM 455 HE2 TYR A 31 28.218 -22.556 -8.531 1.00-18.10 H ATOM 456 CZ TYR A 31 29.173 -20.633 -8.569 1.00-18.10 C ATOM 457 OH TYR A 31 28.581 -20.222 -7.400 1.00-18.10 O ATOM 458 HH TYR A 31 28.888 -19.341 -7.114 1.00-18.10 H ATOM 459 N CYS A 32 33.041 -24.526 -13.298 1.00 -6.35 N ATOM 460 H CYS A 32 32.164 -24.966 -13.079 1.00 -6.35 H ATOM 461 CA CYS A 32 33.797 -25.042 -14.430 1.00 -6.35 C ATOM 462 HA CYS A 32 34.864 -24.879 -14.282 1.00 -6.35 H ATOM 463 C CYS A 32 33.307 -24.266 -15.645 1.00 -6.35 C ATOM 464 O CYS A 32 32.101 -24.070 -15.778 1.00 -6.35 O ATOM 465 CB CYS A 32 33.496 -26.537 -14.575 1.00 -6.35 C ATOM 466 1HB CYS A 32 33.674 -27.009 -13.610 1.00 -6.35 H ATOM 467 2HB CYS A 32 32.439 -26.653 -14.821 1.00 -6.35 H ATOM 468 SG CYS A 32 34.472 -27.439 -15.819 1.00 -6.35 S ATOM 469 N GLY A 33 34.195 -23.791 -16.505 1.00 28.28 N ATOM 470 H GLY A 33 35.192 -23.946 -16.366 1.00 28.28 H ATOM 471 CA GLY A 33 33.750 -22.989 -17.630 1.00 28.28 C ATOM 472 1HA GLY A 33 33.110 -23.598 -18.268 1.00 28.28 H ATOM 473 2HA GLY A 33 33.146 -22.171 -17.236 1.00 28.28 H ATOM 474 C GLY A 33 34.848 -22.390 -18.483 1.00 28.28 C ATOM 475 O GLY A 33 35.940 -22.956 -18.626 1.00 28.28 O ATOM 476 N SER A 34 34.536 -21.218 -19.027 1.00 39.35 N ATOM 477 H SER A 34 33.622 -20.838 -18.840 1.00 39.35 H ATOM 478 CA SER A 34 35.420 -20.458 -19.915 1.00 39.35 C ATOM 479 HA SER A 34 34.875 -19.582 -20.264 1.00 39.35 H ATOM 480 C SER A 34 35.759 -21.308 -21.145 1.00 39.35 C ATOM 481 O SER A 34 34.923 -22.091 -21.594 1.00 39.35 O ATOM 482 CB SER A 34 36.660 -19.968 -19.153 1.00 39.35 C ATOM 483 1HB SER A 34 36.340 -19.556 -18.195 1.00 39.35 H ATOM 484 2HB SER A 34 37.317 -20.814 -18.964 1.00 39.35 H ATOM 485 OG SER A 34 37.379 -18.970 -19.860 1.00 39.35 O ATOM 486 HG SER A 34 37.045 -18.104 -19.597 1.00 39.35 H ATOM 487 N PHE A 35 36.942 -21.133 -21.719 1.00-17.97 N ATOM 488 H PHE A 35 37.599 -20.488 -21.300 1.00-17.97 H ATOM 489 CA PHE A 35 37.320 -21.837 -22.944 1.00-17.97 C ATOM 490 HA PHE A 35 36.670 -21.499 -23.750 1.00-17.97 H ATOM 491 C PHE A 35 37.152 -23.349 -22.821 1.00-17.97 C ATOM 492 O PHE A 35 37.794 -23.984 -21.982 1.00-17.97 O ATOM 493 CB PHE A 35 38.769 -21.520 -23.317 1.00-17.97 C ATOM 494 1HB PHE A 35 38.863 -20.448 -23.490 1.00-17.97 H ATOM 495 2HB PHE A 35 39.414 -21.791 -22.483 1.00-17.97 H ATOM 496 CG PHE A 35 39.244 -22.260 -24.538 1.00-17.97 C ATOM 497 CD1 PHE A 35 38.944 -21.781 -25.826 1.00-17.97 C ATOM 498 HD1 PHE A 35 38.392 -20.860 -25.945 1.00-17.97 H ATOM 499 CD2 PHE A 35 39.975 -23.456 -24.404 1.00-17.97 C ATOM 500 HD2 PHE A 35 40.216 -23.834 -23.420 1.00-17.97 H ATOM 501 CE1 PHE A 35 39.351 -22.500 -26.978 1.00-17.97 C ATOM 502 HE1 PHE A 35 39.108 -22.128 -27.963 1.00-17.97 H ATOM 503 CE2 PHE A 35 40.389 -24.185 -25.544 1.00-17.97 C ATOM 504 HE2 PHE A 35 40.942 -25.106 -25.427 1.00-17.97 H ATOM 505 CZ PHE A 35 40.070 -23.709 -26.836 1.00-17.97 C ATOM 506 HZ PHE A 35 40.381 -24.262 -27.710 1.00-17.97 H ATOM 507 N ALA A 36 36.252 -23.876 -23.648 1.00 36.57 N ATOM 508 H ALA A 36 35.720 -23.243 -24.223 1.00 36.57 H ATOM 509 CA ALA A 36 35.948 -25.303 -23.790 1.00 36.57 C ATOM 510 HA ALA A 36 35.031 -25.372 -24.376 1.00 36.57 H ATOM 511 C ALA A 36 35.674 -26.068 -22.482 1.00 36.57 C ATOM 512 O ALA A 36 35.872 -27.277 -22.425 1.00 36.57 O ATOM 513 CB ALA A 36 37.055 -25.974 -24.628 1.00 36.57 C ATOM 514 1HB ALA A 36 37.142 -25.477 -25.594 1.00 36.57 H ATOM 515 2HB ALA A 36 36.811 -27.026 -24.790 1.00 36.57 H ATOM 516 3HB ALA A 36 38.008 -25.906 -24.108 1.00 36.57 H ATOM 517 N ASN A 37 35.252 -25.350 -21.445 1.00 2.94 N ATOM 518 H ASN A 37 35.104 -24.355 -21.574 1.00 2.94 H ATOM 519 CA ASN A 37 35.030 -25.888 -20.095 1.00 2.94 C ATOM 520 HA ASN A 37 34.814 -25.041 -19.449 1.00 2.94 H ATOM 521 C ASN A 37 36.270 -26.576 -19.520 1.00 2.94 C ATOM 522 O ASN A 37 36.181 -27.479 -18.697 1.00 2.94 O ATOM 523 CB ASN A 37 33.804 -26.808 -20.034 1.00 2.94 C ATOM 524 1HB ASN A 37 33.977 -27.681 -20.660 1.00 2.94 H ATOM 525 2HB ASN A 37 33.660 -27.142 -19.007 1.00 2.94 H ATOM 526 CG ASN A 37 32.547 -26.118 -20.482 1.00 2.94 C ATOM 527 OD1 ASN A 37 32.349 -24.937 -20.246 1.00 2.94 O ATOM 528 ND2 ASN A 37 31.688 -26.841 -21.146 1.00 2.94 N ATOM 529 1HD2 ASN A 37 30.838 -26.405 -21.456 1.00 2.94 H ATOM 530 2HD2 ASN A 37 31.886 -27.808 -21.334 1.00 2.94 H ATOM 531 N VAL A 38 37.443 -26.137 -19.949 1.00 10.06 N ATOM 532 H VAL A 38 37.478 -25.424 -20.673 1.00 10.06 H ATOM 533 CA VAL A 38 38.701 -26.670 -19.430 1.00 10.06 C ATOM 534 HA VAL A 38 38.651 -27.757 -19.382 1.00 10.06 H ATOM 535 C VAL A 38 38.904 -26.121 -18.024 1.00 10.06 C ATOM 536 O VAL A 38 39.463 -26.783 -17.153 1.00 10.06 O ATOM 537 CB VAL A 38 39.887 -26.253 -20.361 1.00 10.06 C ATOM 538 HB VAL A 38 39.871 -25.171 -20.469 1.00 10.06 H ATOM 539 CG1 VAL A 38 41.262 -26.652 -19.802 1.00 10.06 C ATOM 540 1HG1 VAL A 38 42.044 -26.349 -20.499 1.00 10.06 H ATOM 541 2HG1 VAL A 38 41.314 -27.729 -19.655 1.00 10.06 H ATOM 542 3HG1 VAL A 38 41.445 -26.149 -18.851 1.00 10.06 H ATOM 543 CG2 VAL A 38 39.712 -26.881 -21.750 1.00 10.06 C ATOM 544 1HG2 VAL A 38 40.511 -26.547 -22.411 1.00 10.06 H ATOM 545 2HG2 VAL A 38 38.759 -26.579 -22.178 1.00 10.06 H ATOM 546 3HG2 VAL A 38 39.733 -27.969 -21.676 1.00 10.06 H ATOM 547 N ASN A 39 38.459 -24.894 -17.801 1.00 8.70 N ATOM 548 H ASN A 39 37.749 -24.508 -18.409 1.00 8.70 H ATOM 549 CA ASN A 39 39.019 -24.042 -16.755 1.00 8.70 C ATOM 550 HA ASN A 39 40.003 -24.417 -16.469 1.00 8.70 H ATOM 551 C ASN A 39 38.158 -23.908 -15.504 1.00 8.70 C ATOM 552 O ASN A 39 36.964 -23.636 -15.600 1.00 8.70 O ATOM 553 CB ASN A 39 39.181 -22.644 -17.340 1.00 8.70 C ATOM 554 1HB ASN A 39 38.219 -22.308 -17.711 1.00 8.70 H ATOM 555 2HB ASN A 39 39.500 -21.976 -16.549 1.00 8.70 H ATOM 556 CG ASN A 39 40.190 -22.590 -18.449 1.00 8.70 C ATOM 557 OD1 ASN A 39 41.378 -22.585 -18.207 1.00 8.70 O ATOM 558 ND2 ASN A 39 39.732 -22.528 -19.669 1.00 8.70 N ATOM 559 1HD2 ASN A 39 40.398 -22.467 -20.420 1.00 8.70 H ATOM 560 2HD2 ASN A 39 38.744 -22.583 -19.852 1.00 8.70 H ATOM 561 N CYS A 40 38.770 -24.011 -14.333 1.00 -9.17 N ATOM 562 H CYS A 40 39.773 -24.187 -14.295 1.00 -9.17 H ATOM 563 CA CYS A 40 38.080 -23.767 -13.069 1.00 -9.17 C ATOM 564 HA CYS A 40 37.018 -23.990 -13.175 1.00 -9.17 H ATOM 565 C CYS A 40 38.247 -22.294 -12.710 1.00 -9.17 C ATOM 566 O CYS A 40 39.362 -21.834 -12.417 1.00 -9.17 O ATOM 567 CB CYS A 40 38.670 -24.621 -11.944 1.00 -9.17 C ATOM 568 1HB CYS A 40 38.548 -25.676 -12.184 1.00 -9.17 H ATOM 569 2HB CYS A 40 39.736 -24.408 -11.872 1.00 -9.17 H ATOM 570 SG CYS A 40 37.924 -24.289 -10.313 1.00 -9.17 S ATOM 571 N TRP A 41 37.144 -21.561 -12.743 1.00 -1.29 N ATOM 572 H TRP A 41 36.252 -21.998 -12.974 1.00 -1.29 H ATOM 573 CA TRP A 41 37.133 -20.143 -12.401 1.00 -1.29 C ATOM 574 HA TRP A 41 38.146 -19.783 -12.242 1.00 -1.29 H ATOM 575 C TRP A 41 36.355 -19.956 -11.115 1.00 -1.29 C ATOM 576 O TRP A 41 35.207 -20.373 -10.989 1.00 -1.29 O ATOM 577 CB TRP A 41 36.476 -19.320 -13.507 1.00 -1.29 C ATOM 578 1HB TRP A 41 35.606 -19.858 -13.884 1.00 -1.29 H ATOM 579 2HB TRP A 41 36.138 -18.374 -13.081 1.00 -1.29 H ATOM 580 CG TRP A 41 37.415 -19.012 -14.631 1.00 -1.29 C ATOM 581 CD1 TRP A 41 37.792 -19.835 -15.643 1.00 -1.29 C ATOM 582 HD1 TRP A 41 37.432 -20.851 -15.757 1.00 -1.29 H ATOM 583 CD2 TRP A 41 38.120 -17.778 -14.856 1.00 -1.29 C ATOM 584 NE1 TRP A 41 38.686 -19.219 -16.480 1.00 -1.29 N ATOM 585 HE1 TRP A 41 39.102 -19.649 -17.294 1.00 -1.29 H ATOM 586 CE2 TRP A 41 38.914 -17.951 -16.025 1.00 -1.29 C ATOM 587 CE3 TRP A 41 38.153 -16.535 -14.193 1.00 -1.29 C ATOM 588 HE3 TRP A 41 37.534 -16.368 -13.327 1.00 -1.29 H ATOM 589 CZ2 TRP A 41 39.755 -16.935 -16.523 1.00 -1.29 C ATOM 590 HZ2 TRP A 41 40.351 -17.094 -17.410 1.00 -1.29 H ATOM 591 CZ3 TRP A 41 38.998 -15.507 -14.688 1.00 -1.29 C ATOM 592 HZ3 TRP A 41 39.028 -14.548 -14.189 1.00 -1.29 H ATOM 593 CH2 TRP A 41 39.795 -15.725 -15.850 1.00 -1.29 C ATOM 594 HH2 TRP A 41 40.430 -14.931 -16.217 1.00 -1.29 H ATOM 595 N CYS A 42 36.991 -19.318 -10.152 1.00-19.81 N ATOM 596 H CYS A 42 37.953 -19.022 -10.287 1.00-19.81 H ATOM 597 CA CYS A 42 36.348 -19.007 -8.894 1.00-19.81 C ATOM 598 HA CYS A 42 35.697 -19.828 -8.613 1.00-19.81 H ATOM 599 C CYS A 42 35.535 -17.742 -8.971 1.00-19.81 C ATOM 600 O CYS A 42 35.943 -16.771 -9.603 1.00-19.81 O ATOM 601 CB CYS A 42 37.389 -18.804 -7.810 1.00-19.81 C ATOM 602 1HB CYS A 42 38.006 -17.942 -8.062 1.00-19.81 H ATOM 603 2HB CYS A 42 36.862 -18.597 -6.883 1.00-19.81 H ATOM 604 SG CYS A 42 38.459 -20.246 -7.569 1.00-19.81 S ATOM 605 N GLU A 43 34.437 -17.760 -8.243 1.00 -3.69 N ATOM 606 H GLU A 43 34.215 -18.600 -7.719 1.00 -3.69 H ATOM 607 CA GLU A 43 33.559 -16.624 -8.051 1.00 -3.69 C ATOM 608 HA GLU A 43 33.351 -16.131 -9.000 1.00 -3.69 H ATOM 609 C GLU A 43 34.271 -15.684 -7.081 1.00 -3.69 C ATOM 610 O GLU A 43 34.581 -16.074 -5.945 1.00 -3.69 O ATOM 611 CB GLU A 43 32.271 -17.156 -7.424 1.00 -3.69 C ATOM 612 1HB GLU A 43 31.930 -17.998 -8.020 1.00 -3.69 H ATOM 613 2HB GLU A 43 32.513 -17.535 -6.434 1.00 -3.69 H ATOM 614 CG GLU A 43 31.133 -16.169 -7.285 1.00 -3.69 C ATOM 615 1HG GLU A 43 31.521 -15.229 -6.895 1.00 -3.69 H ATOM 616 2HG GLU A 43 30.694 -15.985 -8.267 1.00 -3.69 H ATOM 617 CD GLU A 43 30.072 -16.698 -6.329 1.00 -3.69 C ATOM 618 OE1 GLU A 43 29.675 -17.883 -6.446 1.00 -3.69 O ATOM 619 OE2 GLU A 43 29.676 -15.939 -5.416 1.00 -3.69 O ATOM 620 N THR A 44 34.563 -14.464 -7.510 1.00 12.10 N ATOM 621 H THR A 44 34.343 -14.195 -8.473 1.00 12.10 H ATOM 622 CA THR A 44 35.133 -13.449 -6.620 1.00 12.10 C ATOM 623 HA THR A 44 34.598 -13.500 -5.679 1.00 12.10 H ATOM 624 C THR A 44 34.883 -12.070 -7.197 1.00 12.10 C ATOM 625 O THR A 44 35.005 -11.889 -8.423 1.00 12.10 O ATOM 626 OXT THR A 44 34.514 -11.193 -6.393 1.00 12.10 O ATOM 627 CB THR A 44 36.630 -13.672 -6.283 1.00 12.10 C ATOM 628 HB THR A 44 36.728 -14.637 -5.789 1.00 12.10 H ATOM 629 OG1 THR A 44 37.063 -12.653 -5.380 1.00 12.10 O ATOM 630 HG1 THR A 44 36.585 -11.844 -5.598 1.00 12.10 H ATOM 631 CG2 THR A 44 37.549 -13.667 -7.485 1.00 12.10 C ATOM 632 1HG2 THR A 44 38.577 -13.767 -7.141 1.00 12.10 H ATOM 633 2HG2 THR A 44 37.445 -12.731 -8.032 1.00 12.10 H ATOM 634 3HG2 THR A 44 37.305 -14.512 -8.125 1.00 12.10 H TER 635 THR A 44 CONECT 102 99 468 CONECT 257 254 570 CONECT 303 300 604 CONECT 468 102 465 CONECT 570 257 567 CONECT 604 303 601 END
SEQUENCE	DKLIGSCVWGAVNYTSDCNGECKRRGYKGGYCGSFANVNCWCET
HELICITY	15.90	INSTAB. INDEX	30.49	FLEXIBILITY	17.06
a HYD. MOM.	15.70	b HYD. MOM.	22.68	c HYD. MOM	4.08
a MEAN HYD. MOM.	0.36	b MEAN HYD. MOM.	0.52	c MEAN HYD. MOM.	0.09
CHARGE pH5	1.44	CHARGE pH7	0.73	CHARGE pH9	-4.48
Δ CHARGE pH5-pH9	5.91	ISOELECTRIC POINT	7.76	BOMAN INDEX	1.65
ΔG	29	CPP	-0,71	MLP	-14,44
MOLECULAR VOLUME		POLARITY
MIC E. coli	100	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus	100	MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+	B. megaterium = 100
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Lepidoptera
FAMILY	Noctuidae	GENUS	Heliothis	SPECIES	Heliothis virescens
DATE	2000
TITLE PAPER	Solution structures of the antigungal heliomicin and a selected variant whit both antibacterial and antifungal activities