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ID	2262	NAME	4 kDa defensin   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\GFGCPLNQGACHRHCRSIRRRGGYCAGFFKQTCTCYRN.pdb REMARK YASARA Written on: Wed May 14 18:04:54 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 581 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 ARG SEQRES 2 A 38 HIS CYS ARG SER ILE ARG ARG ARG GLY GLY TYR CYS ALA SEQRES 3 A 38 GLY PHE PHE 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 2.04 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 0.099 -11.155 51.188 1.00-21.26 N ATOM 2 1H GLY A 1 -0.451 -11.963 51.444 1.00-21.26 H ATOM 3 2H GLY A 1 -0.295 -10.736 50.356 1.00-21.26 H ATOM 4 3H GLY A 1 0.090 -10.480 51.938 1.00-21.26 H ATOM 5 CA GLY A 1 1.493 -11.572 50.910 1.00-21.26 C ATOM 6 1HA GLY A 1 1.927 -12.009 51.806 1.00-21.26 H ATOM 7 2HA GLY A 1 1.482 -12.308 50.107 1.00-21.26 H ATOM 8 C GLY A 1 2.316 -10.393 50.479 1.00-21.26 C ATOM 9 O GLY A 1 1.862 -9.275 50.676 1.00-21.26 O ATOM 10 N PHE A 2 3.490 -10.591 49.895 1.00 0.65 N ATOM 11 H PHE A 2 3.854 -11.520 49.746 1.00 0.65 H ATOM 12 CA PHE A 2 4.274 -9.466 49.393 1.00 0.65 C ATOM 13 HA PHE A 2 4.155 -8.615 50.063 1.00 0.65 H ATOM 14 C PHE A 2 3.702 -9.119 48.024 1.00 0.65 C ATOM 15 O PHE A 2 3.990 -9.788 47.034 1.00 0.65 O ATOM 16 CB PHE A 2 5.761 -9.814 49.287 1.00 0.65 C ATOM 17 1HB PHE A 2 5.904 -10.551 48.500 1.00 0.65 H ATOM 18 2HB PHE A 2 6.303 -8.912 49.008 1.00 0.65 H ATOM 19 CG PHE A 2 6.345 -10.373 50.557 1.00 0.65 C ATOM 20 CD1 PHE A 2 7.027 -11.606 50.536 1.00 0.65 C ATOM 21 HD1 PHE A 2 7.160 -12.134 49.604 1.00 0.65 H ATOM 22 CD2 PHE A 2 6.224 -9.680 51.776 1.00 0.65 C ATOM 23 HD2 PHE A 2 5.731 -8.719 51.807 1.00 0.65 H ATOM 24 CE1 PHE A 2 7.551 -12.166 51.724 1.00 0.65 C ATOM 25 HE1 PHE A 2 8.064 -13.117 51.695 1.00 0.65 H ATOM 26 CE2 PHE A 2 6.749 -10.226 52.975 1.00 0.65 C ATOM 27 HE2 PHE A 2 6.650 -9.686 53.905 1.00 0.65 H ATOM 28 CZ PHE A 2 7.412 -11.474 52.948 1.00 0.65 C ATOM 29 HZ PHE A 2 7.817 -11.894 53.858 1.00 0.65 H ATOM 30 N GLY A 3 2.793 -8.157 47.998 1.00 26.26 N ATOM 31 H GLY A 3 2.534 -7.696 48.860 1.00 26.26 H ATOM 32 CA GLY A 3 2.096 -7.776 46.779 1.00 26.26 C ATOM 33 1HA GLY A 3 1.697 -6.770 46.905 1.00 26.26 H ATOM 34 2HA GLY A 3 2.800 -7.761 45.952 1.00 26.26 H ATOM 35 C GLY A 3 0.947 -8.694 46.411 1.00 26.26 C ATOM 36 O GLY A 3 -0.145 -8.210 46.144 1.00 26.26 O ATOM 37 N CYS A 4 1.154 -10.004 46.404 1.00 48.22 N ATOM 38 H CYS A 4 2.075 -10.365 46.619 1.00 48.22 H ATOM 39 CA CYS A 4 0.060 -10.919 46.092 1.00 48.22 C ATOM 40 HA CYS A 4 -0.449 -10.518 45.222 1.00 48.22 H ATOM 41 C CYS A 4 -0.917 -10.893 47.280 1.00 48.22 C ATOM 42 O CYS A 4 -0.474 -10.720 48.422 1.00 48.22 O ATOM 43 CB CYS A 4 0.586 -12.317 45.731 1.00 48.22 C ATOM 44 1HB CYS A 4 -0.219 -12.861 45.245 1.00 48.22 H ATOM 45 2HB CYS A 4 1.378 -12.192 44.997 1.00 48.22 H ATOM 46 SG CYS A 4 1.237 -13.363 47.072 1.00 48.22 S ATOM 47 N PRO A 5 -2.244 -10.970 47.050 1.00 25.71 N ATOM 48 CA PRO A 5 -3.050 -11.707 46.065 1.00 25.71 C ATOM 49 HA PRO A 5 -2.882 -12.766 46.192 1.00 25.71 H ATOM 50 C PRO A 5 -2.808 -11.369 44.602 1.00 25.71 C ATOM 51 O PRO A 5 -2.676 -10.209 44.224 1.00 25.71 O ATOM 52 CB PRO A 5 -4.488 -11.388 46.482 1.00 25.71 C ATOM 53 1HB PRO A 5 -5.148 -11.355 45.615 1.00 25.71 H ATOM 54 2HB PRO A 5 -4.842 -12.124 47.201 1.00 25.71 H ATOM 55 CG PRO A 5 -4.388 -10.068 47.138 1.00 25.71 C ATOM 56 1HG PRO A 5 -4.296 -9.280 46.389 1.00 25.71 H ATOM 57 2HG PRO A 5 -5.245 -9.887 47.787 1.00 25.71 H ATOM 58 CD PRO A 5 -3.118 -10.188 47.942 1.00 25.71 C ATOM 59 1HD PRO A 5 -2.697 -9.201 48.140 1.00 25.71 H ATOM 60 2HD PRO A 5 -3.298 -10.732 48.871 1.00 25.71 H ATOM 61 N LEU A 6 -2.687 -12.430 43.814 1.00 -4.55 N ATOM 62 H LEU A 6 -2.813 -13.337 44.258 1.00 -4.55 H ATOM 63 CA LEU A 6 -2.409 -12.438 42.368 1.00 -4.55 C ATOM 64 HA LEU A 6 -2.315 -13.488 42.098 1.00 -4.55 H ATOM 65 C LEU A 6 -1.120 -11.788 41.835 1.00 -4.55 C ATOM 66 O LEU A 6 -0.536 -12.307 40.879 1.00 -4.55 O ATOM 67 CB LEU A 6 -3.622 -11.909 41.590 1.00 -4.55 C ATOM 68 1HB LEU A 6 -3.741 -10.853 41.832 1.00 -4.55 H ATOM 69 2HB LEU A 6 -3.389 -11.975 40.527 1.00 -4.55 H ATOM 70 CG LEU A 6 -4.978 -12.603 41.822 1.00 -4.55 C ATOM 71 HG LEU A 6 -5.226 -12.546 42.880 1.00 -4.55 H ATOM 72 CD1 LEU A 6 -6.063 -11.862 41.047 1.00 -4.55 C ATOM 73 1HD1 LEU A 6 -7.034 -12.316 41.244 1.00 -4.55 H ATOM 74 2HD1 LEU A 6 -5.860 -11.894 39.976 1.00 -4.55 H ATOM 75 3HD1 LEU A 6 -6.100 -10.820 41.373 1.00 -4.55 H ATOM 76 CD2 LEU A 6 -4.979 -14.082 41.405 1.00 -4.55 C ATOM 77 1HD2 LEU A 6 -5.980 -14.493 41.533 1.00 -4.55 H ATOM 78 2HD2 LEU A 6 -4.295 -14.638 42.044 1.00 -4.55 H ATOM 79 3HD2 LEU A 6 -4.678 -14.178 40.362 1.00 -4.55 H ATOM 80 N ASN A 7 -0.615 -10.731 42.459 1.00 15.96 N ATOM 81 H ASN A 7 -1.156 -10.327 43.223 1.00 15.96 H ATOM 82 CA ASN A 7 0.665 -10.109 42.096 1.00 15.96 C ATOM 83 HA ASN A 7 0.740 -10.109 41.008 1.00 15.96 H ATOM 84 C ASN A 7 1.861 -10.897 42.635 1.00 15.96 C ATOM 85 O ASN A 7 2.603 -10.493 43.530 1.00 15.96 O ATOM 86 CB ASN A 7 0.735 -8.656 42.568 1.00 15.96 C ATOM 87 1HB ASN A 7 -0.165 -8.133 42.245 1.00 15.96 H ATOM 88 2HB ASN A 7 0.774 -8.632 43.654 1.00 15.96 H ATOM 89 CG ASN A 7 1.945 -7.925 42.021 1.00 15.96 C ATOM 90 OD1 ASN A 7 2.806 -8.493 41.348 1.00 15.96 O ATOM 91 ND2 ASN A 7 2.016 -6.654 42.293 1.00 15.96 N ATOM 92 1HD2 ASN A 7 2.781 -6.122 41.921 1.00 15.96 H ATOM 93 2HD2 ASN A 7 1.303 -6.220 42.856 1.00 15.96 H ATOM 94 N GLN A 8 2.051 -12.062 42.045 1.00 5.38 N ATOM 95 H GLN A 8 1.380 -12.344 41.334 1.00 5.38 H ATOM 96 CA GLN A 8 3.139 -12.969 42.391 1.00 5.38 C ATOM 97 HA GLN A 8 3.198 -13.064 43.477 1.00 5.38 H ATOM 98 C GLN A 8 4.470 -12.426 41.866 1.00 5.38 C ATOM 99 O GLN A 8 5.553 -12.862 42.266 1.00 5.38 O ATOM 100 CB GLN A 8 2.821 -14.334 41.781 1.00 5.38 C ATOM 101 1HB GLN A 8 2.782 -14.223 40.698 1.00 5.38 H ATOM 102 2HB GLN A 8 3.616 -15.035 42.032 1.00 5.38 H ATOM 103 CG GLN A 8 1.479 -14.897 42.259 1.00 5.38 C ATOM 104 1HG GLN A 8 1.522 -15.066 43.330 1.00 5.38 H ATOM 105 2HG GLN A 8 0.681 -14.190 42.058 1.00 5.38 H ATOM 106 CD GLN A 8 1.120 -16.182 41.575 1.00 5.38 C ATOM 107 OE1 GLN A 8 1.441 -17.252 42.050 1.00 5.38 O ATOM 108 NE2 GLN A 8 0.468 -16.093 40.447 1.00 5.38 N ATOM 109 1HE2 GLN A 8 0.256 -16.941 39.949 1.00 5.38 H ATOM 110 2HE2 GLN A 8 0.193 -15.192 40.088 1.00 5.38 H ATOM 111 N GLY A 9 4.398 -11.443 40.978 1.00-15.82 N ATOM 112 H GLY A 9 3.496 -11.097 40.681 1.00-15.82 H ATOM 113 CA GLY A 9 5.596 -10.813 40.448 1.00-15.82 C ATOM 114 1HA GLY A 9 6.261 -11.573 40.039 1.00-15.82 H ATOM 115 2HA GLY A 9 5.320 -10.114 39.659 1.00-15.82 H ATOM 116 C GLY A 9 6.317 -10.061 41.547 1.00-15.82 C ATOM 117 O GLY A 9 7.545 -10.080 41.626 1.00-15.82 O ATOM 118 N ALA A 10 5.560 -9.464 42.456 1.00-11.75 N ATOM 119 H ALA A 10 4.547 -9.474 42.365 1.00-11.75 H ATOM 120 CA ALA A 10 6.154 -8.773 43.593 1.00-11.75 C ATOM 121 HA ALA A 10 6.857 -8.031 43.213 1.00-11.75 H ATOM 122 C ALA A 10 6.939 -9.738 44.491 1.00-11.75 C ATOM 123 O ALA A 10 8.036 -9.406 44.924 1.00-11.75 O ATOM 124 CB ALA A 10 5.070 -8.052 44.374 1.00-11.75 C ATOM 125 1HB ALA A 10 4.604 -7.291 43.748 1.00-11.75 H ATOM 126 2HB ALA A 10 5.505 -7.577 45.255 1.00-11.75 H ATOM 127 3HB ALA A 10 4.311 -8.767 44.694 1.00-11.75 H ATOM 128 N CYS A 11 6.456 -10.959 44.694 1.00 -9.45 N ATOM 129 H CYS A 11 5.553 -11.208 44.317 1.00 -9.45 H ATOM 130 CA CYS A 11 7.201 -11.946 45.485 1.00 -9.45 C ATOM 131 HA CYS A 11 7.396 -11.526 46.472 1.00 -9.45 H ATOM 132 C CYS A 11 8.531 -12.326 44.842 1.00 -9.45 C ATOM 133 O CYS A 11 9.505 -12.616 45.532 1.00 -9.45 O ATOM 134 CB CYS A 11 6.412 -13.244 45.638 1.00 -9.45 C ATOM 135 1HB CYS A 11 6.316 -13.693 44.650 1.00 -9.45 H ATOM 136 2HB CYS A 11 6.981 -13.933 46.263 1.00 -9.45 H ATOM 137 SG CYS A 11 4.737 -13.070 46.313 1.00 -9.45 S ATOM 138 N HIS A 12 8.601 -12.298 43.515 1.00 -0.07 N ATOM 139 H HIS A 12 7.789 -12.008 42.982 1.00 -0.07 H ATOM 140 CA HIS A 12 9.849 -12.634 42.822 1.00 -0.07 C ATOM 141 HA HIS A 12 10.207 -13.596 43.176 1.00 -0.07 H ATOM 142 C HIS A 12 10.931 -11.617 43.163 1.00 -0.07 C ATOM 143 O HIS A 12 12.108 -11.963 43.170 1.00 -0.07 O ATOM 144 CB HIS A 12 9.683 -12.714 41.298 1.00 -0.07 C ATOM 145 1HB HIS A 12 9.136 -11.846 40.939 1.00 -0.07 H ATOM 146 2HB HIS A 12 10.679 -12.685 40.851 1.00 -0.07 H ATOM 147 CG HIS A 12 9.021 -13.969 40.820 1.00 -0.07 C ATOM 148 ND1 HIS A 12 7.687 -14.287 41.046 1.00 -0.07 N ATOM 149 HD1 HIS A 12 7.010 -13.730 41.574 1.00 -0.07 H ATOM 150 CD2 HIS A 12 9.506 -15.016 40.101 1.00 -0.07 C ATOM 151 HD2 HIS A 12 10.520 -15.112 39.732 1.00 -0.07 H ATOM 152 CE1 HIS A 12 7.419 -15.462 40.501 1.00 -0.07 C ATOM 153 HE1 HIS A 12 6.462 -15.972 40.559 1.00 -0.07 H ATOM 154 NE2 HIS A 12 8.497 -15.918 39.913 1.00 -0.07 N ATOM 155 HE2 HIS A 12 8.563 -16.793 39.401 1.00 -0.07 H ATOM 156 N ARG A 13 10.540 -10.393 43.487 1.00-28.48 N ATOM 157 H ARG A 13 9.555 -10.156 43.452 1.00-28.48 H ATOM 158 CA ARG A 13 11.494 -9.384 43.946 1.00-28.48 C ATOM 159 HA ARG A 13 12.465 -9.564 43.482 1.00-28.48 H ATOM 160 C ARG A 13 11.673 -9.469 45.456 1.00-28.48 C ATOM 161 O ARG A 13 12.788 -9.525 45.956 1.00-28.48 O ATOM 162 CB ARG A 13 11.001 -7.980 43.575 1.00-28.48 C ATOM 163 1HB ARG A 13 10.055 -7.794 44.083 1.00-28.48 H ATOM 164 2HB ARG A 13 11.730 -7.252 43.935 1.00-28.48 H ATOM 165 CG ARG A 13 10.789 -7.759 42.082 1.00-28.48 C ATOM 166 1HG ARG A 13 11.726 -7.936 41.554 1.00-28.48 H ATOM 167 2HG ARG A 13 10.031 -8.450 41.712 1.00-28.48 H ATOM 168 CD ARG A 13 10.322 -6.335 41.816 1.00-28.48 C ATOM 169 1HD ARG A 13 9.416 -6.150 42.396 1.00-28.48 H ATOM 170 2HD ARG A 13 11.098 -5.641 42.146 1.00-28.48 H ATOM 171 NE ARG A 13 10.041 -6.105 40.390 1.00-28.48 N ATOM 172 HE ARG A 13 10.195 -6.884 39.772 1.00-28.48 H ATOM 173 CZ ARG A 13 9.600 -4.976 39.849 1.00-28.48 C ATOM 174 NH1 ARG A 13 9.403 -4.931 38.560 1.00-28.48 N ATOM 175 1HH1 ARG A 13 9.597 -5.734 37.986 1.00-28.48 H ATOM 176 2HH1 ARG A 13 9.058 -4.088 38.132 1.00-28.48 H ATOM 177 NH2 ARG A 13 9.339 -3.895 40.541 1.00-28.48 N ATOM 178 1HH2 ARG A 13 9.492 -3.894 41.535 1.00-28.48 H ATOM 179 2HH2 ARG A 13 8.995 -3.068 40.084 1.00-28.48 H ATOM 180 N HIS A 14 10.571 -9.473 46.189 1.00 -5.77 N ATOM 181 H HIS A 14 9.663 -9.489 45.734 1.00 -5.77 H ATOM 182 CA HIS A 14 10.617 -9.338 47.643 1.00 -5.77 C ATOM 183 HA HIS A 14 11.177 -8.431 47.881 1.00 -5.77 H ATOM 184 C HIS A 14 11.293 -10.492 48.359 1.00 -5.77 C ATOM 185 O HIS A 14 12.049 -10.270 49.299 1.00 -5.77 O ATOM 186 CB HIS A 14 9.210 -9.177 48.211 1.00 -5.77 C ATOM 187 1HB HIS A 14 8.644 -8.510 47.561 1.00 -5.77 H ATOM 188 2HB HIS A 14 8.717 -10.148 48.223 1.00 -5.77 H ATOM 189 CG HIS A 14 9.194 -8.600 49.591 1.00 -5.77 C ATOM 190 ND1 HIS A 14 8.773 -7.313 49.843 1.00 -5.77 N ATOM 191 CD2 HIS A 14 9.568 -9.142 50.785 1.00 -5.77 C ATOM 192 HD2 HIS A 14 9.941 -10.149 50.909 1.00 -5.77 H ATOM 193 CE1 HIS A 14 8.935 -7.127 51.187 1.00 -5.77 C ATOM 194 HE1 HIS A 14 8.706 -6.202 51.699 1.00 -5.77 H ATOM 195 NE2 HIS A 14 9.426 -8.232 51.799 1.00 -5.77 N ATOM 196 HE2 HIS A 14 9.643 -8.351 52.778 1.00 -5.77 H ATOM 197 N CYS A 15 11.096 -11.720 47.899 1.00 -7.80 N ATOM 198 H CYS A 15 10.503 -11.881 47.089 1.00 -7.80 H ATOM 199 CA CYS A 15 11.718 -12.868 48.561 1.00 -7.80 C ATOM 200 HA CYS A 15 11.419 -12.873 49.609 1.00 -7.80 H ATOM 201 C CYS A 15 13.245 -12.784 48.508 1.00 -7.80 C ATOM 202 O CYS A 15 13.926 -13.369 49.343 1.00 -7.80 O ATOM 203 CB CYS A 15 11.274 -14.182 47.915 1.00 -7.80 C ATOM 204 1HB CYS A 15 11.525 -14.130 46.858 1.00 -7.80 H ATOM 205 2HB CYS A 15 11.853 -14.991 48.354 1.00 -7.80 H ATOM 206 SG CYS A 15 9.504 -14.601 48.065 1.00 -7.80 S ATOM 207 N ARG A 16 13.793 -12.019 47.570 1.00-20.31 N ATOM 208 H ARG A 16 13.201 -11.508 46.926 1.00-20.31 H ATOM 209 CA ARG A 16 15.244 -11.868 47.454 1.00-20.31 C ATOM 210 HA ARG A 16 15.705 -12.841 47.622 1.00-20.31 H ATOM 211 C ARG A 16 15.829 -10.927 48.495 1.00-20.31 C ATOM 212 O ARG A 16 17.011 -11.021 48.792 1.00-20.31 O ATOM 213 CB ARG A 16 15.624 -11.422 46.042 1.00-20.31 C ATOM 214 1HB ARG A 16 15.135 -10.479 45.810 1.00-20.31 H ATOM 215 2HB ARG A 16 16.704 -11.273 46.002 1.00-20.31 H ATOM 216 CG ARG A 16 15.241 -12.468 45.008 1.00-20.31 C ATOM 217 1HG ARG A 16 15.722 -13.406 45.280 1.00-20.31 H ATOM 218 2HG ARG A 16 14.162 -12.615 45.011 1.00-20.31 H ATOM 219 CD ARG A 16 15.675 -12.114 43.608 1.00-20.31 C ATOM 220 1HD ARG A 16 15.160 -11.209 43.283 1.00-20.31 H ATOM 221 2HD ARG A 16 16.754 -11.951 43.596 1.00-20.31 H ATOM 222 NE ARG A 16 15.339 -13.236 42.723 1.00-20.31 N ATOM 223 HE ARG A 16 14.841 -14.011 43.147 1.00-20.31 H ATOM 224 CZ ARG A 16 15.627 -13.354 41.438 1.00-20.31 C ATOM 225 NH1 ARG A 16 15.285 -14.461 40.844 1.00-20.31 N ATOM 226 1HH1 ARG A 16 14.831 -15.186 41.388 1.00-20.31 H ATOM 227 2HH1 ARG A 16 15.483 -14.600 39.869 1.00-20.31 H ATOM 228 NH2 ARG A 16 16.241 -12.435 40.738 1.00-20.31 N ATOM 229 1HH2 ARG A 16 16.510 -11.575 41.184 1.00-20.31 H ATOM 230 2HH2 ARG A 16 16.450 -12.587 39.768 1.00-20.31 H ATOM 231 N SER A 17 15.011 -10.115 49.151 1.00 -8.95 N ATOM 232 H SER A 17 14.036 -10.048 48.888 1.00 -8.95 H ATOM 233 CA SER A 17 15.500 -9.345 50.302 1.00 -8.95 C ATOM 234 HA SER A 17 16.444 -8.869 50.034 1.00 -8.95 H ATOM 235 C SER A 17 15.752 -10.302 51.467 1.00 -8.95 C ATOM 236 O SER A 17 16.644 -10.108 52.288 1.00 -8.95 O ATOM 237 CB SER A 17 14.500 -8.263 50.724 1.00 -8.95 C ATOM 238 1HB SER A 17 14.953 -7.658 51.511 1.00 -8.95 H ATOM 239 2HB SER A 17 14.282 -7.622 49.870 1.00 -8.95 H ATOM 240 OG SER A 17 13.291 -8.817 51.220 1.00 -8.95 O ATOM 241 HG SER A 17 12.781 -9.195 50.487 1.00 -8.95 H ATOM 242 N ILE A 18 14.992 -11.389 51.472 1.00 0.60 N ATOM 243 H ILE A 18 14.283 -11.482 50.760 1.00 0.60 H ATOM 244 CA ILE A 18 15.088 -12.459 52.467 1.00 0.60 C ATOM 245 HA ILE A 18 15.477 -12.037 53.394 1.00 0.60 H ATOM 246 C ILE A 18 16.075 -13.516 51.953 1.00 0.60 C ATOM 247 O ILE A 18 16.240 -14.589 52.536 1.00 0.60 O ATOM 248 CB ILE A 18 13.690 -13.114 52.761 1.00 0.60 C ATOM 249 HB ILE A 18 13.565 -13.970 52.101 1.00 0.60 H ATOM 250 CG1 ILE A 18 12.525 -12.133 52.481 1.00 0.60 C ATOM 251 1HG1 ILE A 18 12.620 -11.276 53.150 1.00 0.60 H ATOM 252 2HG1 ILE A 18 12.589 -11.777 51.457 1.00 0.60 H ATOM 253 CG2 ILE A 18 13.641 -13.610 54.233 1.00 0.60 C ATOM 254 1HG2 ILE A 18 12.736 -14.190 54.409 1.00 0.60 H ATOM 255 2HG2 ILE A 18 13.662 -12.759 54.918 1.00 0.60 H ATOM 256 3HG2 ILE A 18 14.501 -14.248 54.439 1.00 0.60 H ATOM 257 CD1 ILE A 18 11.114 -12.711 52.639 1.00 0.60 C ATOM 258 1HD1 ILE A 18 10.389 -11.974 52.294 1.00 0.60 H ATOM 259 2HD1 ILE A 18 10.910 -12.938 53.685 1.00 0.60 H ATOM 260 3HD1 ILE A 18 11.013 -13.618 52.041 1.00 0.60 H ATOM 261 N ARG A 19 16.731 -13.184 50.844 1.00 28.79 N ATOM 262 H ARG A 19 16.536 -12.279 50.436 1.00 28.79 H ATOM 263 CA ARG A 19 17.750 -14.003 50.170 1.00 28.79 C ATOM 264 HA ARG A 19 18.040 -13.471 49.263 1.00 28.79 H ATOM 265 C ARG A 19 17.227 -15.363 49.722 1.00 28.79 C ATOM 266 O ARG A 19 17.948 -16.359 49.690 1.00 28.79 O ATOM 267 CB ARG A 19 19.008 -14.112 51.043 1.00 28.79 C ATOM 268 1HB ARG A 19 18.785 -14.720 51.919 1.00 28.79 H ATOM 269 2HB ARG A 19 19.796 -14.602 50.470 1.00 28.79 H ATOM 270 CG ARG A 19 19.505 -12.744 51.509 1.00 28.79 C ATOM 271 1HG ARG A 19 19.685 -12.110 50.640 1.00 28.79 H ATOM 272 2HG ARG A 19 18.743 -12.277 52.132 1.00 28.79 H ATOM 273 CD ARG A 19 20.774 -12.834 52.327 1.00 28.79 C ATOM 274 1HD ARG A 19 20.628 -13.551 53.136 1.00 28.79 H ATOM 275 2HD ARG A 19 21.592 -13.168 51.688 1.00 28.79 H ATOM 276 NE ARG A 19 21.082 -11.513 52.896 1.00 28.79 N ATOM 277 HE ARG A 19 20.415 -10.783 52.693 1.00 28.79 H ATOM 278 CZ ARG A 19 22.125 -11.200 53.652 1.00 28.79 C ATOM 279 NH1 ARG A 19 22.229 -9.980 54.099 1.00 28.79 N ATOM 280 1HH1 ARG A 19 21.519 -9.300 53.882 1.00 28.79 H ATOM 281 2HH1 ARG A 19 23.015 -9.715 54.667 1.00 28.79 H ATOM 282 NH2 ARG A 19 23.063 -12.053 53.979 1.00 28.79 N ATOM 283 1HH2 ARG A 19 23.006 -13.000 53.644 1.00 28.79 H ATOM 284 2HH2 ARG A 19 23.828 -11.768 54.564 1.00 28.79 H ATOM 285 N ARG A 20 15.952 -15.397 49.361 1.00 24.21 N ATOM 286 H ARG A 20 15.404 -14.542 49.406 1.00 24.21 H ATOM 287 CA ARG A 20 15.295 -16.605 48.858 1.00 24.21 C ATOM 288 HA ARG A 20 15.983 -17.447 48.923 1.00 24.21 H ATOM 289 C ARG A 20 14.995 -16.340 47.391 1.00 24.21 C ATOM 290 O ARG A 20 14.975 -15.194 46.969 1.00 24.21 O ATOM 291 CB ARG A 20 14.026 -16.913 49.665 1.00 24.21 C ATOM 292 1HB ARG A 20 13.289 -16.139 49.465 1.00 24.21 H ATOM 293 2HB ARG A 20 13.623 -17.861 49.318 1.00 24.21 H ATOM 294 CG ARG A 20 14.217 -16.993 51.187 1.00 24.21 C ATOM 295 1HG ARG A 20 14.378 -15.993 51.575 1.00 24.21 H ATOM 296 2HG ARG A 20 13.300 -17.385 51.627 1.00 24.21 H ATOM 297 CD ARG A 20 15.396 -17.869 51.608 1.00 24.21 C ATOM 298 1HD ARG A 20 15.344 -18.808 51.063 1.00 24.21 H ATOM 299 2HD ARG A 20 16.326 -17.367 51.346 1.00 24.21 H ATOM 300 NE ARG A 20 15.414 -18.156 53.049 1.00 24.21 N ATOM 301 HE ARG A 20 14.742 -17.664 53.613 1.00 24.21 H ATOM 302 CZ ARG A 20 16.227 -19.010 53.657 1.00 24.21 C ATOM 303 NH1 ARG A 20 16.006 -19.316 54.904 1.00 24.21 N ATOM 304 1HH1 ARG A 20 15.291 -18.848 55.428 1.00 24.21 H ATOM 305 2HH1 ARG A 20 16.549 -20.050 55.334 1.00 24.21 H ATOM 306 NH2 ARG A 20 17.245 -19.582 53.064 1.00 24.21 N ATOM 307 1HH2 ARG A 20 17.530 -19.271 52.153 1.00 24.21 H ATOM 308 2HH2 ARG A 20 17.737 -20.326 53.532 1.00 24.21 H ATOM 309 N ARG A 21 14.811 -17.380 46.594 1.00 0.43 N ATOM 310 H ARG A 21 14.611 -18.290 47.007 1.00 0.43 H ATOM 311 CA ARG A 21 14.974 -17.279 45.134 1.00 0.43 C ATOM 312 HA ARG A 21 15.944 -16.823 44.927 1.00 0.43 H ATOM 313 C ARG A 21 13.928 -16.431 44.419 1.00 0.43 C ATOM 314 O ARG A 21 14.181 -15.881 43.343 1.00 0.43 O ATOM 315 CB ARG A 21 14.956 -18.690 44.537 1.00 0.43 C ATOM 316 1HB ARG A 21 14.009 -19.158 44.795 1.00 0.43 H ATOM 317 2HB ARG A 21 15.018 -18.616 43.451 1.00 0.43 H ATOM 318 CG ARG A 21 16.095 -19.579 45.029 1.00 0.43 C ATOM 319 1HG ARG A 21 17.042 -19.170 44.677 1.00 0.43 H ATOM 320 2HG ARG A 21 16.104 -19.601 46.118 1.00 0.43 H ATOM 321 CD ARG A 21 15.947 -21.009 44.525 1.00 0.43 C ATOM 322 1HD ARG A 21 15.007 -21.427 44.889 1.00 0.43 H ATOM 323 2HD ARG A 21 15.924 -20.998 43.434 1.00 0.43 H ATOM 324 NE ARG A 21 17.073 -21.844 44.971 1.00 0.43 N ATOM 325 HE ARG A 21 17.839 -21.935 44.324 1.00 0.43 H ATOM 326 CZ ARG A 21 17.182 -22.481 46.130 1.00 0.43 C ATOM 327 NH1 ARG A 21 18.275 -23.142 46.374 1.00 0.43 N ATOM 328 1HH1 ARG A 21 19.005 -23.213 45.692 1.00 0.43 H ATOM 329 2HH1 ARG A 21 18.384 -23.575 47.292 1.00 0.43 H ATOM 330 NH2 ARG A 21 16.265 -22.485 47.062 1.00 0.43 N ATOM 331 1HH2 ARG A 21 15.412 -21.974 46.939 1.00 0.43 H ATOM 332 2HH2 ARG A 21 16.425 -23.017 47.913 1.00 0.43 H ATOM 333 N GLY A 22 12.749 -16.347 45.007 1.00 6.01 N ATOM 334 H GLY A 22 12.593 -16.827 45.881 1.00 6.01 H ATOM 335 CA GLY A 22 11.615 -15.663 44.415 1.00 6.01 C ATOM 336 1HA GLY A 22 11.546 -14.636 44.773 1.00 6.01 H ATOM 337 2HA GLY A 22 11.657 -15.698 43.327 1.00 6.01 H ATOM 338 C GLY A 22 10.460 -16.489 44.931 1.00 6.01 C ATOM 339 O GLY A 22 10.734 -17.385 45.731 1.00 6.01 O ATOM 340 N GLY A 23 9.228 -16.246 44.511 1.00 4.51 N ATOM 341 H GLY A 23 9.026 -15.503 43.861 1.00 4.51 H ATOM 342 CA GLY A 23 8.123 -17.074 44.959 1.00 4.51 C ATOM 343 1HA GLY A 23 8.421 -18.118 44.911 1.00 4.51 H ATOM 344 2HA GLY A 23 7.883 -16.838 45.996 1.00 4.51 H ATOM 345 C GLY A 23 6.886 -16.887 44.109 1.00 4.51 C ATOM 346 O GLY A 23 6.775 -15.877 43.417 1.00 4.51 O ATOM 347 N TYR A 24 5.968 -17.835 44.187 1.00-21.57 N ATOM 348 H TYR A 24 6.135 -18.631 44.794 1.00-21.57 H ATOM 349 CA TYR A 24 4.649 -17.770 43.556 1.00-21.57 C ATOM 350 HA TYR A 24 4.451 -16.796 43.114 1.00-21.57 H ATOM 351 C TYR A 24 3.770 -17.976 44.775 1.00-21.57 C ATOM 352 O TYR A 24 4.307 -18.362 45.808 1.00-21.57 O ATOM 353 CB TYR A 24 4.425 -18.886 42.533 1.00-21.57 C ATOM 354 1HB TYR A 24 4.731 -19.835 42.966 1.00-21.57 H ATOM 355 2HB TYR A 24 3.361 -18.947 42.318 1.00-21.57 H ATOM 356 CG TYR A 24 5.142 -18.671 41.218 1.00-21.57 C ATOM 357 CD1 TYR A 24 6.294 -19.413 40.889 1.00-21.57 C ATOM 358 HD1 TYR A 24 6.674 -20.146 41.585 1.00-21.57 H ATOM 359 CD2 TYR A 24 4.641 -17.753 40.271 1.00-21.57 C ATOM 360 HD2 TYR A 24 3.741 -17.195 40.491 1.00-21.57 H ATOM 361 CE1 TYR A 24 6.944 -19.237 39.639 1.00-21.57 C ATOM 362 HE1 TYR A 24 7.819 -19.824 39.398 1.00-21.57 H ATOM 363 CE2 TYR A 24 5.289 -17.573 39.018 1.00-21.57 C ATOM 364 HE2 TYR A 24 4.896 -16.877 38.291 1.00-21.57 H ATOM 365 CZ TYR A 24 6.436 -18.315 38.722 1.00-21.57 C ATOM 366 OH TYR A 24 7.077 -18.112 37.528 1.00-21.57 O ATOM 367 HH TYR A 24 7.734 -18.786 37.335 1.00-21.57 H ATOM 368 N CYS A 25 2.478 -17.700 44.710 1.00 8.05 N ATOM 369 H CYS A 25 2.029 -17.535 43.811 1.00 8.05 H ATOM 370 CA CYS A 25 1.675 -17.644 45.925 1.00 8.05 C ATOM 371 HA CYS A 25 2.346 -17.732 46.770 1.00 8.05 H ATOM 372 C CYS A 25 0.632 -18.739 46.094 1.00 8.05 C ATOM 373 O CYS A 25 -0.128 -19.062 45.184 1.00 8.05 O ATOM 374 CB CYS A 25 0.995 -16.286 46.045 1.00 8.05 C ATOM 375 1HB CYS A 25 0.318 -16.156 45.207 1.00 8.05 H ATOM 376 2HB CYS A 25 0.415 -16.278 46.965 1.00 8.05 H ATOM 377 SG CYS A 25 2.150 -14.888 46.081 1.00 8.05 S ATOM 378 N ALA A 26 0.588 -19.266 47.308 1.00 25.57 N ATOM 379 H ALA A 26 1.249 -18.934 48.006 1.00 25.57 H ATOM 380 CA ALA A 26 -0.388 -20.264 47.713 1.00 25.57 C ATOM 381 HA ALA A 26 -0.494 -21.003 46.917 1.00 25.57 H ATOM 382 C ALA A 26 -1.750 -19.605 47.963 1.00 25.57 C ATOM 383 O ALA A 26 -1.832 -18.407 48.265 1.00 25.57 O ATOM 384 CB ALA A 26 0.113 -20.963 48.985 1.00 25.57 C ATOM 385 1HB ALA A 26 1.090 -21.412 48.798 1.00 25.57 H ATOM 386 2HB ALA A 26 -0.586 -21.745 49.284 1.00 25.57 H ATOM 387 3HB ALA A 26 0.206 -20.237 49.795 1.00 25.57 H ATOM 388 N GLY A 27 -2.800 -20.410 47.885 1.00 5.81 N ATOM 389 H GLY A 27 -2.654 -21.376 47.640 1.00 5.81 H ATOM 390 CA GLY A 27 -4.165 -19.954 48.107 1.00 5.81 C ATOM 391 1HA GLY A 27 -4.690 -20.682 48.724 1.00 5.81 H ATOM 392 2HA GLY A 27 -4.158 -18.997 48.628 1.00 5.81 H ATOM 393 C GLY A 27 -4.907 -19.801 46.792 1.00 5.81 C ATOM 394 O GLY A 27 -4.282 -19.720 45.742 1.00 5.81 O ATOM 395 N PHE A 28 -6.233 -19.771 46.812 1.00-21.50 N ATOM 396 H PHE A 28 -6.723 -19.823 47.692 1.00-21.50 H ATOM 397 CA PHE A 28 -7.009 -19.691 45.568 1.00-21.50 C ATOM 398 HA PHE A 28 -6.718 -20.515 44.916 1.00-21.50 H ATOM 399 C PHE A 28 -6.754 -18.383 44.818 1.00-21.50 C ATOM 400 O PHE A 28 -6.551 -18.360 43.601 1.00-21.50 O ATOM 401 CB PHE A 28 -8.502 -19.812 45.884 1.00-21.50 C ATOM 402 1HB PHE A 28 -8.668 -20.735 46.439 1.00-21.50 H ATOM 403 2HB PHE A 28 -8.802 -18.974 46.513 1.00-21.50 H ATOM 404 CG PHE A 28 -9.375 -19.825 44.659 1.00-21.50 C ATOM 405 CD1 PHE A 28 -9.630 -21.027 43.976 1.00-21.50 C ATOM 406 HD1 PHE A 28 -9.212 -21.955 44.340 1.00-21.50 H ATOM 407 CD2 PHE A 28 -9.939 -18.631 44.175 1.00-21.50 C ATOM 408 HD2 PHE A 28 -9.747 -17.701 44.686 1.00-21.50 H ATOM 409 CE1 PHE A 28 -10.443 -21.043 42.813 1.00-21.50 C ATOM 410 HE1 PHE A 28 -10.641 -21.974 42.301 1.00-21.50 H ATOM 411 CE2 PHE A 28 -10.751 -18.627 43.016 1.00-21.50 C ATOM 412 HE2 PHE A 28 -11.182 -17.702 42.660 1.00-21.50 H ATOM 413 CZ PHE A 28 -11.005 -19.837 42.333 1.00-21.50 C ATOM 414 HZ PHE A 28 -11.631 -19.843 41.451 1.00-21.50 H ATOM 415 N PHE A 29 -6.685 -17.297 45.574 1.00-17.94 N ATOM 416 H PHE A 29 -6.782 -17.382 46.579 1.00-17.94 H ATOM 417 CA PHE A 29 -6.437 -15.965 45.025 1.00-17.94 C ATOM 418 HA PHE A 29 -6.727 -15.944 43.974 1.00-17.94 H ATOM 419 C PHE A 29 -4.946 -15.673 45.119 1.00-17.94 C ATOM 420 O PHE A 29 -4.503 -14.559 44.859 1.00-17.94 O ATOM 421 CB PHE A 29 -7.249 -14.910 45.777 1.00-17.94 C ATOM 422 1HB PHE A 29 -6.907 -14.867 46.806 1.00-17.94 H ATOM 423 2HB PHE A 29 -7.073 -13.937 45.318 1.00-17.94 H ATOM 424 CG PHE A 29 -8.726 -15.182 45.779 1.00-17.94 C ATOM 425 CD1 PHE A 29 -9.338 -15.797 46.889 1.00-17.94 C ATOM 426 HD1 PHE A 29 -8.747 -16.058 47.754 1.00-17.94 H ATOM 427 CD2 PHE A 29 -9.515 -14.835 44.668 1.00-17.94 C ATOM 428 HD2 PHE A 29 -9.060 -14.355 43.812 1.00-17.94 H ATOM 429 CE1 PHE A 29 -10.727 -16.081 46.887 1.00-17.94 C ATOM 430 HE1 PHE A 29 -11.187 -16.554 47.743 1.00-17.94 H ATOM 431 CE2 PHE A 29 -10.907 -15.104 44.653 1.00-17.94 C ATOM 432 HE2 PHE A 29 -11.504 -14.826 43.797 1.00-17.94 H ATOM 433 CZ PHE A 29 -11.513 -15.733 45.765 1.00-17.94 C ATOM 434 HZ PHE A 29 -12.574 -15.939 45.759 1.00-17.94 H ATOM 435 N LYS A 30 -4.192 -16.716 45.454 1.00 22.78 N ATOM 436 H LYS A 30 -4.649 -17.581 45.707 1.00 22.78 H ATOM 437 CA LYS A 30 -2.731 -16.734 45.397 1.00 22.78 C ATOM 438 HA LYS A 30 -2.375 -17.678 45.812 1.00 22.78 H ATOM 439 C LYS A 30 -2.215 -15.616 46.278 1.00 22.78 C ATOM 440 O LYS A 30 -1.645 -14.647 45.806 1.00 22.78 O ATOM 441 CB LYS A 30 -2.281 -16.681 43.929 1.00 22.78 C ATOM 442 1HB LYS A 30 -2.614 -15.747 43.480 1.00 22.78 H ATOM 443 2HB LYS A 30 -1.196 -16.735 43.868 1.00 22.78 H ATOM 444 CG LYS A 30 -2.887 -17.852 43.157 1.00 22.78 C ATOM 445 1HG LYS A 30 -2.518 -18.785 43.583 1.00 22.78 H ATOM 446 2HG LYS A 30 -3.963 -17.824 43.281 1.00 22.78 H ATOM 447 CD LYS A 30 -2.612 -17.845 41.673 1.00 22.78 C ATOM 448 1HD LYS A 30 -2.941 -16.898 41.246 1.00 22.78 H ATOM 449 2HD LYS A 30 -1.542 -17.971 41.504 1.00 22.78 H ATOM 450 CE LYS A 30 -3.381 -18.999 41.018 1.00 22.78 C ATOM 451 1HE LYS A 30 -3.109 -19.045 39.961 1.00 22.78 H ATOM 452 2HE LYS A 30 -3.069 -19.933 41.492 1.00 22.78 H ATOM 453 NZ LYS A 30 -4.887 -18.865 41.140 1.00 22.78 N ATOM 454 1HZ LYS A 30 -5.344 -19.662 40.721 1.00 22.78 H ATOM 455 2HZ LYS A 30 -5.202 -18.022 40.680 1.00 22.78 H ATOM 456 3HZ LYS A 30 -5.161 -18.815 42.119 1.00 22.78 H ATOM 457 N GLN A 31 -2.529 -15.739 47.558 1.00 7.11 N ATOM 458 H GLN A 31 -2.939 -16.615 47.862 1.00 7.11 H ATOM 459 CA GLN A 31 -2.357 -14.679 48.548 1.00 7.11 C ATOM 460 HA GLN A 31 -2.420 -13.719 48.042 1.00 7.11 H ATOM 461 C GLN A 31 -1.059 -14.682 49.359 1.00 7.11 C ATOM 462 O GLN A 31 -0.705 -13.650 49.926 1.00 7.11 O ATOM 463 CB GLN A 31 -3.509 -14.769 49.554 1.00 7.11 C ATOM 464 1HB GLN A 31 -3.447 -15.728 50.068 1.00 7.11 H ATOM 465 2HB GLN A 31 -3.383 -13.979 50.294 1.00 7.11 H ATOM 466 CG GLN A 31 -4.902 -14.631 48.946 1.00 7.11 C ATOM 467 1HG GLN A 31 -5.424 -13.829 49.468 1.00 7.11 H ATOM 468 2HG GLN A 31 -4.820 -14.355 47.896 1.00 7.11 H ATOM 469 CD GLN A 31 -5.728 -15.898 49.063 1.00 7.11 C ATOM 470 OE1 GLN A 31 -5.558 -16.854 48.313 1.00 7.11 O ATOM 471 NE2 GLN A 31 -6.646 -15.913 49.993 1.00 7.11 N ATOM 472 1HE2 GLN A 31 -7.202 -16.741 50.114 1.00 7.11 H ATOM 473 2HE2 GLN A 31 -6.782 -15.110 50.585 1.00 7.11 H ATOM 474 N THR A 32 -0.365 -15.808 49.465 1.00 -4.90 N ATOM 475 H THR A 32 -0.681 -16.647 48.990 1.00 -4.90 H ATOM 476 CA THR A 32 0.823 -15.895 50.330 1.00 -4.90 C ATOM 477 HA THR A 32 1.061 -14.911 50.719 1.00 -4.90 H ATOM 478 C THR A 32 2.047 -16.424 49.593 1.00 -4.90 C ATOM 479 O THR A 32 2.006 -17.533 49.082 1.00 -4.90 O ATOM 480 CB THR A 32 0.519 -16.824 51.525 1.00 -4.90 C ATOM 481 HB THR A 32 0.384 -17.845 51.167 1.00 -4.90 H ATOM 482 OG1 THR A 32 -0.689 -16.380 52.148 1.00 -4.90 O ATOM 483 HG1 THR A 32 -0.917 -17.012 52.835 1.00 -4.90 H ATOM 484 CG2 THR A 32 1.612 -16.791 52.582 1.00 -4.90 C ATOM 485 1HG2 THR A 32 1.327 -17.438 53.412 1.00 -4.90 H ATOM 486 2HG2 THR A 32 1.747 -15.776 52.954 1.00 -4.90 H ATOM 487 3HG2 THR A 32 2.551 -17.161 52.166 1.00 -4.90 H ATOM 488 N CYS A 33 3.117 -15.638 49.519 1.00-14.02 N ATOM 489 H CYS A 33 3.125 -14.756 49.993 1.00-14.02 H ATOM 490 CA CYS A 33 4.304 -16.020 48.749 1.00-14.02 C ATOM 491 HA CYS A 33 4.006 -16.215 47.720 1.00-14.02 H ATOM 492 C CYS A 33 4.985 -17.267 49.309 1.00-14.02 C ATOM 493 O CYS A 33 5.507 -17.249 50.424 1.00-14.02 O ATOM 494 CB CYS A 33 5.365 -14.909 48.770 1.00-14.02 C ATOM 495 1HB CYS A 33 5.765 -14.867 49.784 1.00-14.02 H ATOM 496 2HB CYS A 33 6.185 -15.210 48.118 1.00-14.02 H ATOM 497 SG CYS A 33 4.867 -13.209 48.336 1.00-14.02 S ATOM 498 N THR A 34 5.074 -18.307 48.500 1.00 -9.93 N ATOM 499 H THR A 34 4.590 -18.301 47.605 1.00 -9.93 H ATOM 500 CA THR A 34 5.908 -19.462 48.794 1.00 -9.93 C ATOM 501 HA THR A 34 5.905 -19.653 49.866 1.00 -9.93 H ATOM 502 C THR A 34 7.310 -19.082 48.332 1.00 -9.93 C ATOM 503 O THR A 34 7.698 -19.347 47.195 1.00 -9.93 O ATOM 504 CB THR A 34 5.403 -20.714 48.040 1.00 -9.93 C ATOM 505 HB THR A 34 5.530 -20.572 46.967 1.00 -9.93 H ATOM 506 OG1 THR A 34 4.011 -20.890 48.318 1.00 -9.93 O ATOM 507 HG1 THR A 34 3.658 -21.506 47.673 1.00 -9.93 H ATOM 508 CG2 THR A 34 6.119 -21.983 48.480 1.00 -9.93 C ATOM 509 1HG2 THR A 34 5.706 -22.834 47.942 1.00 -9.93 H ATOM 510 2HG2 THR A 34 5.982 -22.134 49.551 1.00 -9.93 H ATOM 511 3HG2 THR A 34 7.183 -21.905 48.252 1.00 -9.93 H ATOM 512 N CYS A 35 8.048 -18.371 49.174 1.00-10.24 N ATOM 513 H CYS A 35 7.657 -18.092 50.065 1.00-10.24 H ATOM 514 CA CYS A 35 9.419 -18.001 48.833 1.00-10.24 C ATOM 515 HA CYS A 35 9.425 -17.532 47.852 1.00-10.24 H ATOM 516 C CYS A 35 10.265 -19.273 48.772 1.00-10.24 C ATOM 517 O CYS A 35 10.421 -19.975 49.773 1.00-10.24 O ATOM 518 CB CYS A 35 10.022 -17.037 49.859 1.00-10.24 C ATOM 519 1HB CYS A 35 9.952 -17.496 50.846 1.00-10.24 H ATOM 520 2HB CYS A 35 11.077 -16.918 49.622 1.00-10.24 H ATOM 521 SG CYS A 35 9.277 -15.371 49.933 1.00-10.24 S ATOM 522 N TYR A 36 10.798 -19.579 47.600 1.00 6.67 N ATOM 523 H TYR A 36 10.636 -18.965 46.806 1.00 6.67 H ATOM 524 CA TYR A 36 11.564 -20.804 47.402 1.00 6.67 C ATOM 525 HA TYR A 36 11.018 -21.620 47.873 1.00 6.67 H ATOM 526 C TYR A 36 12.923 -20.690 48.075 1.00 6.67 C ATOM 527 O TYR A 36 13.753 -19.839 47.732 1.00 6.67 O ATOM 528 CB TYR A 36 11.695 -21.106 45.912 1.00 6.67 C ATOM 529 1HB TYR A 36 12.224 -20.288 45.427 1.00 6.67 H ATOM 530 2HB TYR A 36 12.262 -22.027 45.781 1.00 6.67 H ATOM 531 CG TYR A 36 10.337 -21.259 45.266 1.00 6.67 C ATOM 532 CD1 TYR A 36 9.904 -20.353 44.278 1.00 6.67 C ATOM 533 HD1 TYR A 36 10.562 -19.564 43.944 1.00 6.67 H ATOM 534 CD2 TYR A 36 9.457 -22.286 45.671 1.00 6.67 C ATOM 535 HD2 TYR A 36 9.771 -23.010 46.410 1.00 6.67 H ATOM 536 CE1 TYR A 36 8.600 -20.452 43.726 1.00 6.67 C ATOM 537 HE1 TYR A 36 8.273 -19.751 42.976 1.00 6.67 H ATOM 538 CE2 TYR A 36 8.150 -22.378 45.130 1.00 6.67 C ATOM 539 HE2 TYR A 36 7.480 -23.156 45.462 1.00 6.67 H ATOM 540 CZ TYR A 36 7.734 -21.453 44.173 1.00 6.67 C ATOM 541 OH TYR A 36 6.467 -21.533 43.662 1.00 6.67 O ATOM 542 HH TYR A 36 5.969 -22.268 44.027 1.00 6.67 H ATOM 543 N ARG A 37 13.116 -21.528 49.081 1.00 17.58 N ATOM 544 H ARG A 37 12.488 -22.311 49.197 1.00 17.58 H ATOM 545 CA ARG A 37 14.133 -21.321 50.107 1.00 17.58 C ATOM 546 HA ARG A 37 14.799 -20.513 49.810 1.00 17.58 H ATOM 547 C ARG A 37 14.960 -22.579 50.309 1.00 17.58 C ATOM 548 O ARG A 37 14.730 -23.578 49.639 1.00 17.58 O ATOM 549 CB ARG A 37 13.428 -20.937 51.420 1.00 17.58 C ATOM 550 1HB ARG A 37 14.188 -20.629 52.134 1.00 17.58 H ATOM 551 2HB ARG A 37 12.781 -20.080 51.237 1.00 17.58 H ATOM 552 CG ARG A 37 12.598 -22.048 52.070 1.00 17.58 C ATOM 553 1HG ARG A 37 11.710 -22.257 51.472 1.00 17.58 H ATOM 554 2HG ARG A 37 13.198 -22.953 52.139 1.00 17.58 H ATOM 555 CD ARG A 37 12.194 -21.656 53.483 1.00 17.58 C ATOM 556 1HD ARG A 37 13.073 -21.286 54.012 1.00 17.58 H ATOM 557 2HD ARG A 37 11.454 -20.855 53.432 1.00 17.58 H ATOM 558 NE ARG A 37 11.642 -22.803 54.221 1.00 17.58 N ATOM 559 HE ARG A 37 10.641 -22.908 54.197 1.00 17.58 H ATOM 560 CZ ARG A 37 12.338 -23.703 54.909 1.00 17.58 C ATOM 561 NH1 ARG A 37 11.696 -24.670 55.502 1.00 17.58 N ATOM 562 1HH1 ARG A 37 10.696 -24.729 55.448 1.00 17.58 H ATOM 563 2HH1 ARG A 37 12.212 -25.365 56.013 1.00 17.58 H ATOM 564 NH2 ARG A 37 13.640 -23.696 55.027 1.00 17.58 N ATOM 565 1HH2 ARG A 37 14.206 -22.985 54.569 1.00 17.58 H ATOM 566 2HH2 ARG A 37 14.125 -24.412 55.542 1.00 17.58 H ATOM 567 N ASN A 38 15.843 -22.528 51.292 1.00-12.87 N ATOM 568 H ASN A 38 15.984 -21.666 51.799 1.00-12.87 H ATOM 569 CA ASN A 38 16.453 -23.697 51.911 1.00-12.87 C ATOM 570 HA ASN A 38 15.893 -24.606 51.688 1.00-12.87 H ATOM 571 C ASN A 38 16.281 -23.336 53.375 1.00-12.87 C ATOM 572 O ASN A 38 16.552 -24.140 54.273 1.00-12.87 O ATOM 573 OXT ASN A 38 15.792 -22.197 53.582 1.00-12.87 O ATOM 574 CB ASN A 38 17.928 -23.863 51.529 1.00-12.87 C ATOM 575 1HB ASN A 38 18.424 -22.895 51.552 1.00-12.87 H ATOM 576 2HB ASN A 38 18.402 -24.513 52.264 1.00-12.87 H ATOM 577 CG ASN A 38 18.102 -24.482 50.171 1.00-12.87 C ATOM 578 OD1 ASN A 38 18.062 -23.809 49.147 1.00-12.87 O ATOM 579 ND2 ASN A 38 18.278 -25.773 50.142 1.00-12.87 N ATOM 580 1HD2 ASN A 38 18.388 -26.232 49.255 1.00-12.87 H ATOM 581 2HD2 ASN A 38 18.288 -26.297 51.002 1.00-12.87 H TER 582 ASN A 38 CONECT 46 43 377 CONECT 137 134 497 CONECT 206 203 521 CONECT 377 46 374 CONECT 497 137 494 CONECT 521 206 518 END
SEQUENCE	GFGCPLNQGACHRHCRSIRRRGGYCAGFFKQTCTCYRN
HELICITY	15.80	INSTAB. INDEX	85.94	FLEXIBILITY	15.35
a HYD. MOM.	49.17	b HYD. MOM.	29.14	c HYD. MOM	6.30
a MEAN HYD. MOM.	1.29	b MEAN HYD. MOM.	0.77	c MEAN HYD. MOM.	0.17
CHARGE pH5	8.82	CHARGE pH7	6.91	CHARGE pH9	1.67
Δ CHARGE pH5-pH9	7.14	ISOELECTRIC POINT	9.69	BOMAN INDEX	2.68
ΔG	22	CPP	-0,30	MLP	-7,56
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	Arachnida	ORDER	Scorpiones
FAMILY	Buthidae	GENUS	Leiurus	SPECIES	Leiurus quinquestriatus hebraeus
DATE	1993
TITLE PAPER	Purification and characterization of a scorpion defensin, a 4kDa antibacterial peptide presenting structural similarities with insect defensins and scorpion toxins