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ID	2120	NAME	Scarabaecin   Blast NCBI-PROT
LENGTH	36	DISULFIDE BRIDGE	1		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\ELPKLPDDKVLIRSRSNCPKGKVWNGFDCKSPFAFS.pdb REMARK YASARA Written on: Wed May 14 15:59:24 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 576 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: SCARABAECIN; COMPND 3 CHAIN: A; SEQRES 1 A 36 GLU LEU PRO LYS LEU PRO ASP ASP LYS VAL LEU ILE ARG SEQRES 2 A 36 SER ARG SER ASN CYS PRO LYS GLY LYS VAL TRP ASN GLY SEQRES 3 A 36 PHE ASP CYS LYS SER PRO PHE ALA PHE SER 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 18 CYS A 29 2.02 ATOM 1 N GLU A 1 24.060 30.741 -14.247 1.00 0.67 N ATOM 2 1H GLU A 1 23.369 31.481 -14.189 1.00 0.67 H ATOM 3 2H GLU A 1 24.988 31.148 -14.223 1.00 0.67 H ATOM 4 3H GLU A 1 23.964 30.130 -13.450 1.00 0.67 H ATOM 5 CA GLU A 1 23.882 29.967 -15.508 1.00 0.67 C ATOM 6 HA GLU A 1 22.942 29.419 -15.449 1.00 0.67 H ATOM 7 C GLU A 1 25.014 28.959 -15.628 1.00 0.67 C ATOM 8 O GLU A 1 25.725 28.762 -14.659 1.00 0.67 O ATOM 9 CB GLU A 1 23.831 30.890 -16.741 1.00 0.67 C ATOM 10 1HB GLU A 1 24.726 31.507 -16.762 1.00 0.67 H ATOM 11 2HB GLU A 1 23.840 30.264 -17.632 1.00 0.67 H ATOM 12 CG GLU A 1 22.595 31.787 -16.859 1.00 0.67 C ATOM 13 1HG GLU A 1 22.476 32.066 -17.907 1.00 0.67 H ATOM 14 2HG GLU A 1 21.716 31.218 -16.554 1.00 0.67 H ATOM 15 CD GLU A 1 22.687 33.058 -16.033 1.00 0.67 C ATOM 16 OE1 GLU A 1 22.463 32.970 -14.807 1.00 0.67 O ATOM 17 OE2 GLU A 1 23.057 34.115 -16.571 1.00 0.67 O ATOM 18 N LEU A 2 25.189 28.301 -16.767 1.00-13.29 N ATOM 19 H LEU A 2 24.569 28.459 -17.547 1.00-13.29 H ATOM 20 CA LEU A 2 26.290 27.348 -16.937 1.00-13.29 C ATOM 21 HA LEU A 2 26.313 26.710 -16.053 1.00-13.29 H ATOM 22 C LEU A 2 27.705 27.946 -17.066 1.00-13.29 C ATOM 23 O LEU A 2 28.633 27.403 -16.464 1.00-13.29 O ATOM 24 CB LEU A 2 26.024 26.453 -18.156 1.00-13.29 C ATOM 25 1HB LEU A 2 25.978 27.091 -19.037 1.00-13.29 H ATOM 26 2HB LEU A 2 26.883 25.792 -18.275 1.00-13.29 H ATOM 27 CG LEU A 2 24.760 25.577 -18.145 1.00-13.29 C ATOM 28 HG LEU A 2 23.892 26.216 -17.988 1.00-13.29 H ATOM 29 CD1 LEU A 2 24.605 24.895 -19.501 1.00-13.29 C ATOM 30 1HD1 LEU A 2 23.692 24.298 -19.511 1.00-13.29 H ATOM 31 2HD1 LEU A 2 25.457 24.241 -19.696 1.00-13.29 H ATOM 32 3HD1 LEU A 2 24.538 25.643 -20.292 1.00-13.29 H ATOM 33 CD2 LEU A 2 24.785 24.518 -17.043 1.00-13.29 C ATOM 34 1HD2 LEU A 2 23.890 23.898 -17.104 1.00-13.29 H ATOM 35 2HD2 LEU A 2 24.805 24.996 -16.064 1.00-13.29 H ATOM 36 3HD2 LEU A 2 25.666 23.883 -17.149 1.00-13.29 H ATOM 37 N PRO A 3 27.914 29.022 -17.859 1.00 10.90 N ATOM 38 CA PRO A 3 29.325 29.438 -17.888 1.00 10.90 C ATOM 39 HA PRO A 3 29.979 28.582 -18.057 1.00 10.90 H ATOM 40 C PRO A 3 29.759 30.173 -16.623 1.00 10.90 C ATOM 41 O PRO A 3 28.939 30.703 -15.879 1.00 10.90 O ATOM 42 CB PRO A 3 29.375 30.366 -19.101 1.00 10.90 C ATOM 43 1HB PRO A 3 30.168 31.104 -18.997 1.00 10.90 H ATOM 44 2HB PRO A 3 29.512 29.786 -20.014 1.00 10.90 H ATOM 45 CG PRO A 3 28.051 31.009 -19.103 1.00 10.90 C ATOM 46 1HG PRO A 3 28.016 31.792 -18.347 1.00 10.90 H ATOM 47 2HG PRO A 3 27.817 31.416 -20.086 1.00 10.90 H ATOM 48 CD PRO A 3 27.108 29.889 -18.745 1.00 10.90 C ATOM 49 1HD PRO A 3 26.239 30.285 -18.224 1.00 10.90 H ATOM 50 2HD PRO A 3 26.810 29.340 -19.639 1.00 10.90 H ATOM 51 N LYS A 4 31.065 30.265 -16.409 1.00 45.14 N ATOM 52 H LYS A 4 31.697 29.844 -17.074 1.00 45.14 H ATOM 53 CA LYS A 4 31.652 30.933 -15.237 1.00 45.14 C ATOM 54 HA LYS A 4 31.034 30.716 -14.364 1.00 45.14 H ATOM 55 C LYS A 4 31.720 32.454 -15.418 1.00 45.14 C ATOM 56 O LYS A 4 32.760 33.074 -15.240 1.00 45.14 O ATOM 57 CB LYS A 4 33.067 30.383 -15.004 1.00 45.14 C ATOM 58 1HB LYS A 4 33.707 30.773 -15.794 1.00 45.14 H ATOM 59 2HB LYS A 4 33.434 30.768 -14.054 1.00 45.14 H ATOM 60 CG LYS A 4 33.223 28.852 -15.025 1.00 45.14 C ATOM 61 1HG LYS A 4 32.932 28.486 -16.009 1.00 45.14 H ATOM 62 2HG LYS A 4 34.278 28.615 -14.892 1.00 45.14 H ATOM 63 CD LYS A 4 32.426 28.076 -13.980 1.00 45.14 C ATOM 64 1HD LYS A 4 31.373 28.353 -14.032 1.00 45.14 H ATOM 65 2HD LYS A 4 32.512 27.015 -14.219 1.00 45.14 H ATOM 66 CE LYS A 4 32.938 28.282 -12.564 1.00 45.14 C ATOM 67 1HE LYS A 4 34.006 28.066 -12.530 1.00 45.14 H ATOM 68 2HE LYS A 4 32.760 29.309 -12.247 1.00 45.14 H ATOM 69 NZ LYS A 4 32.210 27.333 -11.677 1.00 45.14 N ATOM 70 1HZ LYS A 4 32.628 27.325 -10.753 1.00 45.14 H ATOM 71 2HZ LYS A 4 32.274 26.400 -12.062 1.00 45.14 H ATOM 72 3HZ LYS A 4 31.238 27.615 -11.607 1.00 45.14 H ATOM 73 N LEU A 5 30.633 33.028 -15.909 1.00 10.81 N ATOM 74 H LEU A 5 29.798 32.457 -15.993 1.00 10.81 H ATOM 75 CA LEU A 5 30.599 34.418 -16.379 1.00 10.81 C ATOM 76 HA LEU A 5 31.534 34.887 -16.084 1.00 10.81 H ATOM 77 C LEU A 5 29.495 35.385 -15.912 1.00 10.81 C ATOM 78 O LEU A 5 29.769 36.588 -15.857 1.00 10.81 O ATOM 79 CB LEU A 5 30.569 34.416 -17.915 1.00 10.81 C ATOM 80 1HB LEU A 5 29.652 33.913 -18.225 1.00 10.81 H ATOM 81 2HB LEU A 5 30.497 35.452 -18.243 1.00 10.81 H ATOM 82 CG LEU A 5 31.739 33.774 -18.682 1.00 10.81 C ATOM 83 HG LEU A 5 31.849 32.741 -18.355 1.00 10.81 H ATOM 84 CD1 LEU A 5 31.424 33.765 -20.177 1.00 10.81 C ATOM 85 1HD1 LEU A 5 32.225 33.259 -20.718 1.00 10.81 H ATOM 86 2HD1 LEU A 5 31.328 34.785 -20.552 1.00 10.81 H ATOM 87 3HD1 LEU A 5 30.493 33.228 -20.358 1.00 10.81 H ATOM 88 CD2 LEU A 5 33.070 34.495 -18.456 1.00 10.81 C ATOM 89 1HD2 LEU A 5 33.851 34.008 -19.040 1.00 10.81 H ATOM 90 2HD2 LEU A 5 33.351 34.430 -17.403 1.00 10.81 H ATOM 91 3HD2 LEU A 5 32.993 35.540 -18.753 1.00 10.81 H ATOM 92 N PRO A 6 28.249 34.936 -15.641 1.00 31.64 N ATOM 93 CA PRO A 6 27.259 35.980 -15.330 1.00 31.64 C ATOM 94 HA PRO A 6 27.340 36.786 -16.059 1.00 31.64 H ATOM 95 C PRO A 6 27.335 36.598 -13.930 1.00 31.64 C ATOM 96 O PRO A 6 26.814 36.079 -12.940 1.00 31.64 O ATOM 97 CB PRO A 6 25.935 35.255 -15.559 1.00 31.64 C ATOM 98 1HB PRO A 6 25.133 35.685 -14.960 1.00 31.64 H ATOM 99 2HB PRO A 6 25.676 35.286 -16.618 1.00 31.64 H ATOM 100 CG PRO A 6 26.215 33.882 -15.164 1.00 31.64 C ATOM 101 1HG PRO A 6 26.180 33.794 -14.084 1.00 31.64 H ATOM 102 2HG PRO A 6 25.505 33.198 -15.617 1.00 31.64 H ATOM 103 CD PRO A 6 27.598 33.610 -15.651 1.00 31.64 C ATOM 104 1HD PRO A 6 28.101 32.923 -14.970 1.00 31.64 H ATOM 105 2HD PRO A 6 27.572 33.208 -16.664 1.00 31.64 H ATOM 106 N ASP A 7 27.975 37.753 -13.856 1.00 61.01 N ATOM 107 H ASP A 7 28.448 38.118 -14.678 1.00 61.01 H ATOM 108 CA ASP A 7 28.073 38.526 -12.623 1.00 61.01 C ATOM 109 HA ASP A 7 27.776 37.886 -11.796 1.00 61.01 H ATOM 110 C ASP A 7 27.131 39.722 -12.593 1.00 61.01 C ATOM 111 O ASP A 7 26.327 39.863 -11.668 1.00 61.01 O ATOM 112 CB ASP A 7 29.521 38.961 -12.361 1.00 61.01 C ATOM 113 1HB ASP A 7 29.537 39.471 -11.406 1.00 61.01 H ATOM 114 2HB ASP A 7 30.142 38.074 -12.293 1.00 61.01 H ATOM 115 CG ASP A 7 30.117 39.884 -13.433 1.00 61.01 C ATOM 116 OD1 ASP A 7 29.695 39.841 -14.616 1.00 61.01 O ATOM 117 OD2 ASP A 7 31.101 40.590 -13.123 1.00 61.01 O ATOM 118 N ASP A 8 27.161 40.554 -13.624 1.00 17.02 N ATOM 119 H ASP A 8 27.851 40.399 -14.358 1.00 17.02 H ATOM 120 CA ASP A 8 26.312 41.743 -13.697 1.00 17.02 C ATOM 121 HA ASP A 8 26.192 42.106 -12.678 1.00 17.02 H ATOM 122 C ASP A 8 24.910 41.426 -14.217 1.00 17.02 C ATOM 123 O ASP A 8 24.470 41.844 -15.290 1.00 17.02 O ATOM 124 CB ASP A 8 26.989 42.871 -14.474 1.00 17.02 C ATOM 125 1HB ASP A 8 28.062 42.811 -14.291 1.00 17.02 H ATOM 126 2HB ASP A 8 26.817 42.755 -15.544 1.00 17.02 H ATOM 127 CG ASP A 8 26.513 44.231 -14.004 1.00 17.02 C ATOM 128 OD1 ASP A 8 25.338 44.342 -13.596 1.00 17.02 O ATOM 129 OD2 ASP A 8 27.348 45.140 -13.828 1.00 17.02 O ATOM 130 N LYS A 9 24.263 40.562 -13.451 1.00 15.87 N ATOM 131 H LYS A 9 24.777 40.207 -12.652 1.00 15.87 H ATOM 132 CA LYS A 9 22.863 40.171 -13.620 1.00 15.87 C ATOM 133 HA LYS A 9 22.326 40.948 -14.166 1.00 15.87 H ATOM 134 C LYS A 9 22.267 40.078 -12.227 1.00 15.87 C ATOM 135 O LYS A 9 21.246 40.681 -11.944 1.00 15.87 O ATOM 136 CB LYS A 9 22.696 38.814 -14.328 1.00 15.87 C ATOM 137 1HB LYS A 9 23.448 38.111 -13.967 1.00 15.87 H ATOM 138 2HB LYS A 9 21.714 38.425 -14.058 1.00 15.87 H ATOM 139 CG LYS A 9 22.748 38.881 -15.851 1.00 15.87 C ATOM 140 1HG LYS A 9 22.115 38.094 -16.263 1.00 15.87 H ATOM 141 2HG LYS A 9 22.338 39.841 -16.157 1.00 15.87 H ATOM 142 CD LYS A 9 24.160 38.705 -16.417 1.00 15.87 C ATOM 143 1HD LYS A 9 24.875 39.227 -15.786 1.00 15.87 H ATOM 144 2HD LYS A 9 24.408 37.645 -16.413 1.00 15.87 H ATOM 145 CE LYS A 9 24.281 39.250 -17.838 1.00 15.87 C ATOM 146 1HE LYS A 9 25.284 39.031 -18.209 1.00 15.87 H ATOM 147 2HE LYS A 9 23.552 38.748 -18.478 1.00 15.87 H ATOM 148 NZ LYS A 9 24.050 40.741 -17.876 1.00 15.87 N ATOM 149 1HZ LYS A 9 24.331 41.125 -18.766 1.00 15.87 H ATOM 150 2HZ LYS A 9 24.575 41.193 -17.129 1.00 15.87 H ATOM 151 3HZ LYS A 9 23.073 40.940 -17.714 1.00 15.87 H ATOM 152 N VAL A 10 22.923 39.304 -11.373 1.00 21.75 N ATOM 153 H VAL A 10 23.735 38.806 -11.691 1.00 21.75 H ATOM 154 CA VAL A 10 22.440 39.055 -10.009 1.00 21.75 C ATOM 155 HA VAL A 10 21.653 39.773 -9.776 1.00 21.75 H ATOM 156 C VAL A 10 23.490 39.177 -8.900 1.00 21.75 C ATOM 157 O VAL A 10 23.140 39.172 -7.728 1.00 21.75 O ATOM 158 CB VAL A 10 21.814 37.625 -9.916 1.00 21.75 C ATOM 159 HB VAL A 10 21.508 37.452 -8.888 1.00 21.75 H ATOM 160 CG1 VAL A 10 20.562 37.504 -10.796 1.00 21.75 C ATOM 161 1HG1 VAL A 10 20.076 36.545 -10.612 1.00 21.75 H ATOM 162 2HG1 VAL A 10 20.818 37.576 -11.852 1.00 21.75 H ATOM 163 3HG1 VAL A 10 19.861 38.302 -10.547 1.00 21.75 H ATOM 164 CG2 VAL A 10 22.825 36.527 -10.330 1.00 21.75 C ATOM 165 1HG2 VAL A 10 22.373 35.548 -10.160 1.00 21.75 H ATOM 166 2HG2 VAL A 10 23.732 36.594 -9.736 1.00 21.75 H ATOM 167 3HG2 VAL A 10 23.072 36.613 -11.388 1.00 21.75 H ATOM 168 N LEU A 11 24.768 39.236 -9.260 1.00 76.32 N ATOM 169 H LEU A 11 24.997 39.323 -10.242 1.00 76.32 H ATOM 170 CA LEU A 11 25.930 39.161 -8.354 1.00 76.32 C ATOM 171 HA LEU A 11 26.722 38.817 -9.010 1.00 76.32 H ATOM 172 C LEU A 11 25.960 38.145 -7.193 1.00 76.32 C ATOM 173 O LEU A 11 26.789 38.242 -6.277 1.00 76.32 O ATOM 174 CB LEU A 11 26.411 40.552 -7.909 1.00 76.32 C ATOM 175 1HB LEU A 11 27.449 40.409 -7.610 1.00 76.32 H ATOM 176 2HB LEU A 11 26.439 41.179 -8.798 1.00 76.32 H ATOM 177 CG LEU A 11 25.754 41.376 -6.788 1.00 76.32 C ATOM 178 HG LEU A 11 25.406 40.700 -6.009 1.00 76.32 H ATOM 179 CD1 LEU A 11 26.817 42.300 -6.173 1.00 76.32 C ATOM 180 1HD1 LEU A 11 26.376 42.872 -5.356 1.00 76.32 H ATOM 181 2HD1 LEU A 11 27.193 42.994 -6.926 1.00 76.32 H ATOM 182 3HD1 LEU A 11 27.645 41.710 -5.782 1.00 76.32 H ATOM 183 CD2 LEU A 11 24.585 42.238 -7.262 1.00 76.32 C ATOM 184 1HD2 LEU A 11 24.181 42.810 -6.427 1.00 76.32 H ATOM 185 2HD2 LEU A 11 23.790 41.601 -7.645 1.00 76.32 H ATOM 186 3HD2 LEU A 11 24.903 42.917 -8.050 1.00 76.32 H ATOM 187 N ILE A 12 25.083 37.152 -7.233 1.00 7.37 N ATOM 188 H ILE A 12 24.399 37.149 -7.970 1.00 7.37 H ATOM 189 CA ILE A 12 25.052 36.068 -6.254 1.00 7.37 C ATOM 190 HA ILE A 12 24.974 36.488 -5.253 1.00 7.37 H ATOM 191 C ILE A 12 26.383 35.342 -6.405 1.00 7.37 C ATOM 192 O ILE A 12 26.835 35.074 -7.511 1.00 7.37 O ATOM 193 CB ILE A 12 23.856 35.090 -6.491 1.00 7.37 C ATOM 194 HB ILE A 12 23.952 34.661 -7.489 1.00 7.37 H ATOM 195 CG1 ILE A 12 22.519 35.854 -6.405 1.00 7.37 C ATOM 196 1HG1 ILE A 12 22.373 36.185 -5.377 1.00 7.37 H ATOM 197 2HG1 ILE A 12 22.577 36.738 -7.029 1.00 7.37 H ATOM 198 CG2 ILE A 12 23.851 33.940 -5.442 1.00 7.37 C ATOM 199 1HG2 ILE A 12 23.075 33.214 -5.689 1.00 7.37 H ATOM 200 2HG2 ILE A 12 23.653 34.335 -4.443 1.00 7.37 H ATOM 201 3HG2 ILE A 12 24.802 33.414 -5.438 1.00 7.37 H ATOM 202 CD1 ILE A 12 21.273 35.068 -6.846 1.00 7.37 C ATOM 203 1HD1 ILE A 12 20.414 35.740 -6.861 1.00 7.37 H ATOM 204 2HD1 ILE A 12 21.068 34.254 -6.150 1.00 7.37 H ATOM 205 3HD1 ILE A 12 21.421 34.664 -7.848 1.00 7.37 H ATOM 206 N ARG A 13 27.015 35.032 -5.282 1.00 2.75 N ATOM 207 H ARG A 13 26.530 35.181 -4.414 1.00 2.75 H ATOM 208 CA ARG A 13 28.382 34.502 -5.232 1.00 2.75 C ATOM 209 HA ARG A 13 28.964 34.965 -6.031 1.00 2.75 H ATOM 210 C ARG A 13 28.405 32.981 -5.448 1.00 2.75 C ATOM 211 O ARG A 13 29.057 32.240 -4.717 1.00 2.75 O ATOM 212 CB ARG A 13 29.013 34.861 -3.875 1.00 2.75 C ATOM 213 1HB ARG A 13 28.497 34.308 -3.089 1.00 2.75 H ATOM 214 2HB ARG A 13 30.050 34.523 -3.892 1.00 2.75 H ATOM 215 CG ARG A 13 29.012 36.360 -3.490 1.00 2.75 C ATOM 216 1HG ARG A 13 29.901 36.546 -2.886 1.00 2.75 H ATOM 217 2HG ARG A 13 29.073 36.971 -4.390 1.00 2.75 H ATOM 218 CD ARG A 13 27.787 36.794 -2.670 1.00 2.75 C ATOM 219 1HD ARG A 13 26.906 36.809 -3.310 1.00 2.75 H ATOM 220 2HD ARG A 13 27.626 36.056 -1.882 1.00 2.75 H ATOM 221 NE ARG A 13 27.953 38.111 -2.031 1.00 2.75 N ATOM 222 HE ARG A 13 28.368 38.103 -1.114 1.00 2.75 H ATOM 223 CZ ARG A 13 27.575 39.290 -2.512 1.00 2.75 C ATOM 224 NH1 ARG A 13 27.706 40.338 -1.746 1.00 2.75 N ATOM 225 1HH1 ARG A 13 28.071 40.246 -0.814 1.00 2.75 H ATOM 226 2HH1 ARG A 13 27.431 41.243 -2.084 1.00 2.75 H ATOM 227 NH2 ARG A 13 27.068 39.486 -3.700 1.00 2.75 N ATOM 228 1HH2 ARG A 13 27.016 38.730 -4.378 1.00 2.75 H ATOM 229 2HH2 ARG A 13 26.731 40.392 -3.966 1.00 2.75 H ATOM 230 N SER A 14 27.634 32.527 -6.422 1.00 31.89 N ATOM 231 H SER A 14 27.302 33.201 -7.112 1.00 31.89 H ATOM 232 CA SER A 14 27.197 31.132 -6.546 1.00 31.89 C ATOM 233 HA SER A 14 27.029 30.719 -5.552 1.00 31.89 H ATOM 234 C SER A 14 28.173 30.224 -7.297 1.00 31.89 C ATOM 235 O SER A 14 28.035 29.009 -7.284 1.00 31.89 O ATOM 236 CB SER A 14 25.871 31.133 -7.316 1.00 31.89 C ATOM 237 1HB SER A 14 25.192 31.845 -6.855 1.00 31.89 H ATOM 238 2HB SER A 14 26.057 31.445 -8.343 1.00 31.89 H ATOM 239 OG SER A 14 25.250 29.861 -7.318 1.00 31.89 O ATOM 240 HG SER A 14 24.906 29.681 -8.204 1.00 31.89 H ATOM 241 N ARG A 15 29.087 30.847 -8.031 1.00 18.86 N ATOM 242 H ARG A 15 29.121 31.858 -7.947 1.00 18.86 H ATOM 243 CA ARG A 15 29.973 30.270 -9.063 1.00 18.86 C ATOM 244 HA ARG A 15 30.446 31.146 -9.506 1.00 18.86 H ATOM 245 C ARG A 15 29.319 29.587 -10.262 1.00 18.86 C ATOM 246 O ARG A 15 29.999 29.263 -11.232 1.00 18.86 O ATOM 247 CB ARG A 15 31.146 29.470 -8.480 1.00 18.86 C ATOM 248 1HB ARG A 15 31.967 29.529 -9.192 1.00 18.86 H ATOM 249 2HB ARG A 15 31.466 29.984 -7.583 1.00 18.86 H ATOM 250 CG ARG A 15 30.939 27.986 -8.162 1.00 18.86 C ATOM 251 1HG ARG A 15 29.883 27.737 -8.181 1.00 18.86 H ATOM 252 2HG ARG A 15 31.424 27.400 -8.936 1.00 18.86 H ATOM 253 CD ARG A 15 31.518 27.593 -6.799 1.00 18.86 C ATOM 254 1HD ARG A 15 31.639 26.509 -6.777 1.00 18.86 H ATOM 255 2HD ARG A 15 32.498 28.049 -6.664 1.00 18.86 H ATOM 256 NE ARG A 15 30.604 27.986 -5.716 1.00 18.86 N ATOM 257 HE ARG A 15 29.819 27.375 -5.566 1.00 18.86 H ATOM 258 CZ ARG A 15 30.663 29.081 -4.970 1.00 18.86 C ATOM 259 NH1 ARG A 15 29.657 29.328 -4.183 1.00 18.86 N ATOM 260 1HH1 ARG A 15 28.906 28.668 -4.101 1.00 18.86 H ATOM 261 2HH1 ARG A 15 29.617 30.208 -3.693 1.00 18.86 H ATOM 262 NH2 ARG A 15 31.642 29.948 -4.975 1.00 18.86 N ATOM 263 1HH2 ARG A 15 32.462 29.801 -5.568 1.00 18.86 H ATOM 264 2HH2 ARG A 15 31.592 30.769 -4.404 1.00 18.86 H ATOM 265 N SER A 16 27.998 29.492 -10.257 1.00 34.11 N ATOM 266 H SER A 16 27.515 29.429 -9.370 1.00 34.11 H ATOM 267 CA SER A 16 27.202 29.516 -11.488 1.00 34.11 C ATOM 268 HA SER A 16 27.713 28.971 -12.284 1.00 34.11 H ATOM 269 C SER A 16 26.973 30.961 -11.930 1.00 34.11 C ATOM 270 O SER A 16 26.641 31.255 -13.072 1.00 34.11 O ATOM 271 CB SER A 16 25.837 28.883 -11.214 1.00 34.11 C ATOM 272 1HB SER A 16 25.253 28.859 -12.133 1.00 34.11 H ATOM 273 2HB SER A 16 25.985 27.863 -10.858 1.00 34.11 H ATOM 274 OG SER A 16 25.136 29.627 -10.223 1.00 34.11 O ATOM 275 HG SER A 16 24.638 30.338 -10.663 1.00 34.11 H ATOM 276 N ASN A 17 27.100 31.867 -10.974 1.00 41.04 N ATOM 277 H ASN A 17 27.403 31.578 -10.058 1.00 41.04 H ATOM 278 CA ASN A 17 26.847 33.291 -11.150 1.00 41.04 C ATOM 279 HA ASN A 17 27.034 33.608 -12.174 1.00 41.04 H ATOM 280 C ASN A 17 27.885 33.856 -10.214 1.00 41.04 C ATOM 281 O ASN A 17 28.240 33.153 -9.271 1.00 41.04 O ATOM 282 CB ASN A 17 25.439 33.676 -10.690 1.00 41.04 C ATOM 283 1HB ASN A 17 25.276 33.307 -9.679 1.00 41.04 H ATOM 284 2HB ASN A 17 25.363 34.761 -10.682 1.00 41.04 H ATOM 285 CG ASN A 17 24.370 33.121 -11.589 1.00 41.04 C ATOM 286 OD1 ASN A 17 23.966 31.966 -11.468 1.00 41.04 O ATOM 287 ND2 ASN A 17 23.924 33.921 -12.513 1.00 41.04 N ATOM 288 1HD2 ASN A 17 23.204 33.596 -13.162 1.00 41.04 H ATOM 289 2HD2 ASN A 17 24.308 34.844 -12.609 1.00 41.04 H ATOM 290 N CYS A 18 28.428 35.031 -10.467 1.00 36.61 N ATOM 291 H CYS A 18 28.039 35.633 -11.184 1.00 36.61 H ATOM 292 CA CYS A 18 29.638 35.442 -9.761 1.00 36.61 C ATOM 293 HA CYS A 18 29.870 34.710 -8.992 1.00 36.61 H ATOM 294 C CYS A 18 29.491 36.811 -9.099 1.00 36.61 C ATOM 295 O CYS A 18 28.606 37.573 -9.476 1.00 36.61 O ATOM 296 CB CYS A 18 30.783 35.440 -10.774 1.00 36.61 C ATOM 297 1HB CYS A 18 30.709 36.333 -11.387 1.00 36.61 H ATOM 298 2HB CYS A 18 31.730 35.471 -10.235 1.00 36.61 H ATOM 299 SG CYS A 18 30.765 33.994 -11.883 1.00 36.61 S ATOM 300 N PRO A 19 30.360 37.158 -8.132 1.00 27.23 N ATOM 301 CA PRO A 19 30.393 38.567 -7.716 1.00 27.23 C ATOM 302 HA PRO A 19 29.439 38.871 -7.286 1.00 27.23 H ATOM 303 C PRO A 19 30.792 39.457 -8.887 1.00 27.23 C ATOM 304 O PRO A 19 31.513 39.001 -9.778 1.00 27.23 O ATOM 305 CB PRO A 19 31.526 38.602 -6.681 1.00 27.23 C ATOM 306 1HB PRO A 19 32.447 38.938 -7.160 1.00 27.23 H ATOM 307 2HB PRO A 19 31.273 39.254 -5.846 1.00 27.23 H ATOM 308 CG PRO A 19 31.686 37.205 -6.235 1.00 27.23 C ATOM 309 1HG PRO A 19 32.693 37.028 -5.859 1.00 27.23 H ATOM 310 2HG PRO A 19 30.951 36.975 -5.473 1.00 27.23 H ATOM 311 CD PRO A 19 31.419 36.390 -7.458 1.00 27.23 C ATOM 312 1HD PRO A 19 32.296 36.352 -8.100 1.00 27.23 H ATOM 313 2HD PRO A 19 31.082 35.388 -7.190 1.00 27.23 H ATOM 314 N LYS A 20 30.380 40.720 -8.883 1.00 10.09 N ATOM 315 H LYS A 20 29.802 41.065 -8.138 1.00 10.09 H ATOM 316 CA LYS A 20 30.804 41.631 -9.948 1.00 10.09 C ATOM 317 HA LYS A 20 30.542 41.193 -10.903 1.00 10.09 H ATOM 318 C LYS A 20 32.317 41.775 -9.911 1.00 10.09 C ATOM 319 O LYS A 20 32.906 41.882 -8.837 1.00 10.09 O ATOM 320 CB LYS A 20 30.150 43.011 -9.866 1.00 10.09 C ATOM 321 1HB LYS A 20 30.379 43.469 -8.904 1.00 10.09 H ATOM 322 2HB LYS A 20 30.592 43.625 -10.651 1.00 10.09 H ATOM 323 CG LYS A 20 28.643 42.998 -10.074 1.00 10.09 C ATOM 324 1HG LYS A 20 28.402 42.346 -10.914 1.00 10.09 H ATOM 325 2HG LYS A 20 28.158 42.626 -9.176 1.00 10.09 H ATOM 326 CD LYS A 20 28.144 44.402 -10.392 1.00 10.09 C ATOM 327 1HD LYS A 20 28.456 45.090 -9.606 1.00 10.09 H ATOM 328 2HD LYS A 20 28.594 44.716 -11.336 1.00 10.09 H ATOM 329 CE LYS A 20 26.629 44.450 -10.535 1.00 10.09 C ATOM 330 1HE LYS A 20 26.306 43.606 -11.148 1.00 10.09 H ATOM 331 2HE LYS A 20 26.161 44.371 -9.553 1.00 10.09 H ATOM 332 NZ LYS A 20 26.206 45.721 -11.222 1.00 10.09 N ATOM 333 1HZ LYS A 20 25.203 45.726 -11.351 1.00 10.09 H ATOM 334 2HZ LYS A 20 26.619 45.741 -12.157 1.00 10.09 H ATOM 335 3HZ LYS A 20 26.503 46.532 -10.705 1.00 10.09 H ATOM 336 N GLY A 21 32.934 41.776 -11.083 1.00 -4.96 N ATOM 337 H GLY A 21 32.388 41.658 -11.936 1.00 -4.96 H ATOM 338 CA GLY A 21 34.380 41.921 -11.153 1.00 -4.96 C ATOM 339 1HA GLY A 21 34.656 42.293 -12.140 1.00 -4.96 H ATOM 340 2HA GLY A 21 34.707 42.642 -10.404 1.00 -4.96 H ATOM 341 C GLY A 21 35.103 40.612 -10.912 1.00 -4.96 C ATOM 342 O GLY A 21 36.227 40.584 -10.421 1.00 -4.96 O ATOM 343 N LYS A 22 34.444 39.513 -11.248 1.00 27.97 N ATOM 344 H LYS A 22 33.501 39.603 -11.600 1.00 27.97 H ATOM 345 CA LYS A 22 35.033 38.173 -11.151 1.00 27.97 C ATOM 346 HA LYS A 22 35.306 38.012 -10.114 1.00 27.97 H ATOM 347 C LYS A 22 36.289 37.966 -11.997 1.00 27.97 C ATOM 348 O LYS A 22 36.478 38.593 -13.039 1.00 27.97 O ATOM 349 CB LYS A 22 34.004 37.097 -11.542 1.00 27.97 C ATOM 350 1HB LYS A 22 34.342 36.150 -11.122 1.00 27.97 H ATOM 351 2HB LYS A 22 33.057 37.346 -11.068 1.00 27.97 H ATOM 352 CG LYS A 22 33.755 36.858 -13.055 1.00 27.97 C ATOM 353 1HG LYS A 22 34.690 36.588 -13.544 1.00 27.97 H ATOM 354 2HG LYS A 22 33.070 36.024 -13.161 1.00 27.97 H ATOM 355 CD LYS A 22 33.142 38.038 -13.777 1.00 27.97 C ATOM 356 1HD LYS A 22 32.244 38.321 -13.242 1.00 27.97 H ATOM 357 2HD LYS A 22 33.840 38.874 -13.775 1.00 27.97 H ATOM 358 CE LYS A 22 32.784 37.713 -15.207 1.00 27.97 C ATOM 359 1HE LYS A 22 33.688 37.443 -15.755 1.00 27.97 H ATOM 360 2HE LYS A 22 32.096 36.867 -15.215 1.00 27.97 H ATOM 361 NZ LYS A 22 32.126 38.905 -15.844 1.00 27.97 N ATOM 362 1HZ LYS A 22 31.872 38.696 -16.797 1.00 27.97 H ATOM 363 2HZ LYS A 22 32.745 39.702 -15.817 1.00 27.97 H ATOM 364 3HZ LYS A 22 31.277 39.148 -15.334 1.00 27.97 H ATOM 365 N VAL A 23 37.045 36.954 -11.610 1.00 17.31 N ATOM 366 H VAL A 23 36.877 36.516 -10.705 1.00 17.31 H ATOM 367 CA VAL A 23 37.992 36.266 -12.475 1.00 17.31 C ATOM 368 HA VAL A 23 37.789 36.499 -13.520 1.00 17.31 H ATOM 369 C VAL A 23 37.546 34.833 -12.176 1.00 17.31 C ATOM 370 O VAL A 23 36.788 34.629 -11.221 1.00 17.31 O ATOM 371 CB VAL A 23 39.469 36.647 -12.146 1.00 17.31 C ATOM 372 HB VAL A 23 39.538 37.734 -12.178 1.00 17.31 H ATOM 373 CG1 VAL A 23 39.894 36.199 -10.755 1.00 17.31 C ATOM 374 1HG1 VAL A 23 40.890 36.581 -10.535 1.00 17.31 H ATOM 375 2HG1 VAL A 23 39.921 35.113 -10.708 1.00 17.31 H ATOM 376 3HG1 VAL A 23 39.200 36.575 -10.005 1.00 17.31 H ATOM 377 CG2 VAL A 23 40.439 36.095 -13.198 1.00 17.31 C ATOM 378 1HG2 VAL A 23 41.441 36.481 -13.005 1.00 17.31 H ATOM 379 2HG2 VAL A 23 40.132 36.419 -14.193 1.00 17.31 H ATOM 380 3HG2 VAL A 23 40.470 35.005 -13.161 1.00 17.31 H ATOM 381 N TRP A 24 37.887 33.849 -12.989 1.00 9.15 N ATOM 382 H TRP A 24 38.549 33.986 -13.741 1.00 9.15 H ATOM 383 CA TRP A 24 37.298 32.526 -12.830 1.00 9.15 C ATOM 384 HA TRP A 24 37.042 32.367 -11.784 1.00 9.15 H ATOM 385 C TRP A 24 38.265 31.428 -13.224 1.00 9.15 C ATOM 386 O TRP A 24 39.288 31.673 -13.855 1.00 9.15 O ATOM 387 CB TRP A 24 36.014 32.437 -13.660 1.00 9.15 C ATOM 388 1HB TRP A 24 35.554 31.464 -13.500 1.00 9.15 H ATOM 389 2HB TRP A 24 35.326 33.202 -13.306 1.00 9.15 H ATOM 390 CG TRP A 24 36.221 32.651 -15.132 1.00 9.15 C ATOM 391 CD1 TRP A 24 36.228 33.839 -15.795 1.00 9.15 C ATOM 392 HD1 TRP A 24 36.087 34.797 -15.314 1.00 9.15 H ATOM 393 CD2 TRP A 24 36.429 31.648 -16.143 1.00 9.15 C ATOM 394 NE1 TRP A 24 36.446 33.665 -17.134 1.00 9.15 N ATOM 395 HE1 TRP A 24 36.506 34.413 -17.808 1.00 9.15 H ATOM 396 CE2 TRP A 24 36.556 32.325 -17.390 1.00 9.15 C ATOM 397 CE3 TRP A 24 36.494 30.240 -16.128 1.00 9.15 C ATOM 398 HE3 TRP A 24 36.385 29.704 -15.202 1.00 9.15 H ATOM 399 CZ2 TRP A 24 36.749 31.638 -18.605 1.00 9.15 C ATOM 400 HZ2 TRP A 24 36.852 32.176 -19.536 1.00 9.15 H ATOM 401 CZ3 TRP A 24 36.687 29.542 -17.347 1.00 9.15 C ATOM 402 HZ3 TRP A 24 36.736 28.463 -17.347 1.00 9.15 H ATOM 403 CH2 TRP A 24 36.813 30.255 -18.575 1.00 9.15 C ATOM 404 HH2 TRP A 24 36.965 29.709 -19.495 1.00 9.15 H ATOM 405 N ASN A 25 37.922 30.216 -12.824 1.00 22.06 N ATOM 406 H ASN A 25 37.061 30.100 -12.282 1.00 22.06 H ATOM 407 CA ASN A 25 38.630 28.998 -13.182 1.00 22.06 C ATOM 408 HA ASN A 25 39.117 29.124 -14.151 1.00 22.06 H ATOM 409 C ASN A 25 37.457 28.027 -13.311 1.00 22.06 C ATOM 410 O ASN A 25 36.330 28.429 -13.042 1.00 22.06 O ATOM 411 CB ASN A 25 39.673 28.612 -12.117 1.00 22.06 C ATOM 412 1HB ASN A 25 40.232 27.742 -12.459 1.00 22.06 H ATOM 413 2HB ASN A 25 40.370 29.441 -12.000 1.00 22.06 H ATOM 414 CG ASN A 25 39.067 28.283 -10.772 1.00 22.06 C ATOM 415 OD1 ASN A 25 38.340 27.316 -10.635 1.00 22.06 O ATOM 416 ND2 ASN A 25 39.407 29.031 -9.763 1.00 22.06 N ATOM 417 1HD2 ASN A 25 39.048 28.808 -8.851 1.00 22.06 H ATOM 418 2HD2 ASN A 25 40.018 29.821 -9.893 1.00 22.06 H ATOM 419 N GLY A 26 37.666 26.785 -13.724 1.00 12.74 N ATOM 420 H GLY A 26 38.601 26.460 -13.914 1.00 12.74 H ATOM 421 CA GLY A 26 36.534 25.891 -13.936 1.00 12.74 C ATOM 422 1HA GLY A 26 35.879 26.343 -14.682 1.00 12.74 H ATOM 423 2HA GLY A 26 36.905 24.949 -14.340 1.00 12.74 H ATOM 424 C GLY A 26 35.678 25.578 -12.718 1.00 12.74 C ATOM 425 O GLY A 26 34.472 25.368 -12.845 1.00 12.74 O ATOM 426 N PHE A 27 36.268 25.561 -11.531 1.00 7.08 N ATOM 427 H PHE A 27 37.250 25.796 -11.448 1.00 7.08 H ATOM 428 CA PHE A 27 35.517 25.277 -10.311 1.00 7.08 C ATOM 429 HA PHE A 27 34.718 24.570 -10.538 1.00 7.08 H ATOM 430 C PHE A 27 34.872 26.523 -9.715 1.00 7.08 C ATOM 431 O PHE A 27 33.711 26.477 -9.324 1.00 7.08 O ATOM 432 CB PHE A 27 36.437 24.643 -9.261 1.00 7.08 C ATOM 433 1HB PHE A 27 36.849 23.721 -9.668 1.00 7.08 H ATOM 434 2HB PHE A 27 37.261 25.324 -9.050 1.00 7.08 H ATOM 435 CG PHE A 27 35.735 24.335 -7.965 1.00 7.08 C ATOM 436 CD1 PHE A 27 34.816 23.273 -7.884 1.00 7.08 C ATOM 437 HD1 PHE A 27 34.637 22.648 -8.747 1.00 7.08 H ATOM 438 CD2 PHE A 27 35.967 25.125 -6.824 1.00 7.08 C ATOM 439 HD2 PHE A 27 36.690 25.925 -6.862 1.00 7.08 H ATOM 440 CE1 PHE A 27 34.110 23.015 -6.682 1.00 7.08 C ATOM 441 HE1 PHE A 27 33.402 22.200 -6.634 1.00 7.08 H ATOM 442 CE2 PHE A 27 35.261 24.891 -5.620 1.00 7.08 C ATOM 443 HE2 PHE A 27 35.442 25.515 -4.756 1.00 7.08 H ATOM 444 CZ PHE A 27 34.326 23.833 -5.549 1.00 7.08 C ATOM 445 HZ PHE A 27 33.789 23.644 -4.631 1.00 7.08 H ATOM 446 N ASP A 28 35.586 27.638 -9.650 1.00 4.80 N ATOM 447 H ASP A 28 36.510 27.673 -10.073 1.00 4.80 H ATOM 448 CA ASP A 28 35.096 28.819 -8.929 1.00 4.80 C ATOM 449 HA ASP A 28 34.040 28.675 -8.719 1.00 4.80 H ATOM 450 C ASP A 28 35.223 30.118 -9.720 1.00 4.80 C ATOM 451 O ASP A 28 36.013 30.222 -10.652 1.00 4.80 O ATOM 452 CB ASP A 28 35.810 28.942 -7.579 1.00 4.80 C ATOM 453 1HB ASP A 28 36.136 27.952 -7.275 1.00 4.80 H ATOM 454 2HB ASP A 28 36.689 29.577 -7.689 1.00 4.80 H ATOM 455 CG ASP A 28 34.905 29.497 -6.486 1.00 4.80 C ATOM 456 OD1 ASP A 28 33.896 30.166 -6.797 1.00 4.80 O ATOM 457 OD2 ASP A 28 35.183 29.257 -5.299 1.00 4.80 O ATOM 458 N CYS A 29 34.403 31.092 -9.361 1.00 23.66 N ATOM 459 H CYS A 29 33.863 30.974 -8.500 1.00 23.66 H ATOM 460 CA CYS A 29 34.220 32.332 -10.103 1.00 23.66 C ATOM 461 HA CYS A 29 35.110 32.561 -10.686 1.00 23.66 H ATOM 462 C CYS A 29 33.965 33.440 -9.085 1.00 23.66 C ATOM 463 O CYS A 29 32.879 33.514 -8.503 1.00 23.66 O ATOM 464 CB CYS A 29 33.016 32.162 -11.026 1.00 23.66 C ATOM 465 1HB CYS A 29 33.171 31.276 -11.637 1.00 23.66 H ATOM 466 2HB CYS A 29 32.128 32.011 -10.416 1.00 23.66 H ATOM 467 SG CYS A 29 32.728 33.568 -12.130 1.00 23.66 S ATOM 468 N LYS A 30 34.994 34.223 -8.785 1.00 14.86 N ATOM 469 H LYS A 30 35.847 34.176 -9.344 1.00 14.86 H ATOM 470 CA LYS A 30 34.976 35.163 -7.660 1.00 14.86 C ATOM 471 HA LYS A 30 34.006 35.630 -7.608 1.00 14.86 H ATOM 472 C LYS A 30 35.991 36.255 -7.947 1.00 14.86 C ATOM 473 O LYS A 30 36.815 36.092 -8.831 1.00 14.86 O ATOM 474 CB LYS A 30 35.202 34.415 -6.334 1.00 14.86 C ATOM 475 1HB LYS A 30 35.214 35.131 -5.512 1.00 14.86 H ATOM 476 2HB LYS A 30 34.337 33.767 -6.193 1.00 14.86 H ATOM 477 CG LYS A 30 36.436 33.525 -6.243 1.00 14.86 C ATOM 478 1HG LYS A 30 36.515 32.913 -7.140 1.00 14.86 H ATOM 479 2HG LYS A 30 37.325 34.143 -6.144 1.00 14.86 H ATOM 480 CD LYS A 30 36.310 32.590 -5.045 1.00 14.86 C ATOM 481 1HD LYS A 30 36.241 33.180 -4.131 1.00 14.86 H ATOM 482 2HD LYS A 30 35.397 32.005 -5.156 1.00 14.86 H ATOM 483 CE LYS A 30 37.489 31.633 -4.941 1.00 14.86 C ATOM 484 1HE LYS A 30 37.617 31.110 -5.888 1.00 14.86 H ATOM 485 2HE LYS A 30 38.392 32.202 -4.721 1.00 14.86 H ATOM 486 NZ LYS A 30 37.262 30.626 -3.850 1.00 14.86 N ATOM 487 1HZ LYS A 30 38.081 30.032 -3.744 1.00 14.86 H ATOM 488 2HZ LYS A 30 36.449 30.054 -4.062 1.00 14.86 H ATOM 489 3HZ LYS A 30 37.144 31.105 -2.965 1.00 14.86 H ATOM 490 N SER A 31 35.882 37.401 -7.298 1.00 12.06 N ATOM 491 H SER A 31 35.239 37.498 -6.531 1.00 12.06 H ATOM 492 CA SER A 31 36.713 38.551 -7.656 1.00 12.06 C ATOM 493 HA SER A 31 36.626 38.738 -8.723 1.00 12.06 H ATOM 494 C SER A 31 38.181 38.250 -7.346 1.00 12.06 C ATOM 495 O SER A 31 38.463 37.414 -6.483 1.00 12.06 O ATOM 496 CB SER A 31 36.207 39.783 -6.903 1.00 12.06 C ATOM 497 1HB SER A 31 36.825 40.644 -7.154 1.00 12.06 H ATOM 498 2HB SER A 31 35.179 39.984 -7.208 1.00 12.06 H ATOM 499 OG SER A 31 36.236 39.556 -5.504 1.00 12.06 O ATOM 500 HG SER A 31 35.865 40.326 -5.061 1.00 12.06 H ATOM 501 N PRO A 32 39.138 38.921 -8.024 1.00 -4.54 N ATOM 502 CA PRO A 32 40.535 38.543 -7.764 1.00 -4.54 C ATOM 503 HA PRO A 32 40.678 37.486 -7.966 1.00 -4.54 H ATOM 504 C PRO A 32 41.007 38.838 -6.345 1.00 -4.54 C ATOM 505 O PRO A 32 41.935 38.221 -5.841 1.00 -4.54 O ATOM 506 CB PRO A 32 41.311 39.360 -8.802 1.00 -4.54 C ATOM 507 1HB PRO A 32 42.297 39.634 -8.427 1.00 -4.54 H ATOM 508 2HB PRO A 32 41.401 38.796 -9.730 1.00 -4.54 H ATOM 509 CG PRO A 32 40.468 40.552 -9.030 1.00 -4.54 C ATOM 510 1HG PRO A 32 40.585 41.258 -8.208 1.00 -4.54 H ATOM 511 2HG PRO A 32 40.709 41.025 -9.982 1.00 -4.54 H ATOM 512 CD PRO A 32 39.075 39.981 -9.049 1.00 -4.54 C ATOM 513 1HD PRO A 32 38.348 40.750 -8.787 1.00 -4.54 H ATOM 514 2HD PRO A 32 38.847 39.550 -10.027 1.00 -4.54 H ATOM 515 N PHE A 33 40.308 39.743 -5.677 1.00-30.00 N ATOM 516 H PHE A 33 39.547 40.208 -6.142 1.00-30.00 H ATOM 517 CA PHE A 33 40.595 40.122 -4.299 1.00-30.00 C ATOM 518 HA PHE A 33 41.652 40.376 -4.218 1.00-30.00 H ATOM 519 C PHE A 33 40.278 39.019 -3.290 1.00-30.00 C ATOM 520 O PHE A 33 40.664 39.103 -2.132 1.00-30.00 O ATOM 521 CB PHE A 33 39.756 41.360 -3.982 1.00-30.00 C ATOM 522 1HB PHE A 33 38.731 41.042 -3.794 1.00-30.00 H ATOM 523 2HB PHE A 33 40.141 41.829 -3.075 1.00-30.00 H ATOM 524 CG PHE A 33 39.734 42.361 -5.106 1.00-30.00 C ATOM 525 CD1 PHE A 33 38.557 42.561 -5.851 1.00-30.00 C ATOM 526 HD1 PHE A 33 37.650 42.046 -5.572 1.00-30.00 H ATOM 527 CD2 PHE A 33 40.895 43.073 -5.458 1.00-30.00 C ATOM 528 HD2 PHE A 33 41.803 42.942 -4.885 1.00-30.00 H ATOM 529 CE1 PHE A 33 38.543 43.427 -6.971 1.00-30.00 C ATOM 530 HE1 PHE A 33 37.635 43.562 -7.544 1.00-30.00 H ATOM 531 CE2 PHE A 33 40.896 43.952 -6.571 1.00-30.00 C ATOM 532 HE2 PHE A 33 41.796 44.489 -6.836 1.00-30.00 H ATOM 533 CZ PHE A 33 39.719 44.121 -7.335 1.00-30.00 C ATOM 534 HZ PHE A 33 39.716 44.783 -8.189 1.00-30.00 H ATOM 535 N ALA A 34 39.559 37.996 -3.738 1.00 14.72 N ATOM 536 H ALA A 34 39.278 37.970 -4.712 1.00 14.72 H ATOM 537 CA ALA A 34 39.152 36.877 -2.896 1.00 14.72 C ATOM 538 HA ALA A 34 39.807 36.820 -2.025 1.00 14.72 H ATOM 539 C ALA A 34 39.291 35.573 -3.688 1.00 14.72 C ATOM 540 O ALA A 34 38.463 34.674 -3.573 1.00 14.72 O ATOM 541 CB ALA A 34 37.703 37.093 -2.426 1.00 14.72 C ATOM 542 1HB ALA A 34 37.633 38.030 -1.873 1.00 14.72 H ATOM 543 2HB ALA A 34 37.407 36.270 -1.773 1.00 14.72 H ATOM 544 3HB ALA A 34 37.036 37.127 -3.289 1.00 14.72 H ATOM 545 N PHE A 35 40.293 35.492 -4.552 1.00 7.04 N ATOM 546 H PHE A 35 40.956 36.253 -4.628 1.00 7.04 H ATOM 547 CA PHE A 35 40.449 34.332 -5.433 1.00 7.04 C ATOM 548 HA PHE A 35 39.451 33.956 -5.638 1.00 7.04 H ATOM 549 C PHE A 35 41.233 33.163 -4.826 1.00 7.04 C ATOM 550 O PHE A 35 42.192 32.659 -5.407 1.00 7.04 O ATOM 551 CB PHE A 35 41.021 34.776 -6.779 1.00 7.04 C ATOM 552 1HB PHE A 35 40.588 35.740 -7.004 1.00 7.04 H ATOM 553 2HB PHE A 35 42.103 34.893 -6.709 1.00 7.04 H ATOM 554 CG PHE A 35 40.671 33.854 -7.919 1.00 7.04 C ATOM 555 CD1 PHE A 35 39.340 33.759 -8.365 1.00 7.04 C ATOM 556 HD1 PHE A 35 38.577 34.358 -7.895 1.00 7.04 H ATOM 557 CD2 PHE A 35 41.661 33.094 -8.565 1.00 7.04 C ATOM 558 HD2 PHE A 35 42.685 33.141 -8.219 1.00 7.04 H ATOM 559 CE1 PHE A 35 38.989 32.908 -9.440 1.00 7.04 C ATOM 560 HE1 PHE A 35 37.960 32.833 -9.756 1.00 7.04 H ATOM 561 CE2 PHE A 35 41.335 32.269 -9.674 1.00 7.04 C ATOM 562 HE2 PHE A 35 42.111 31.713 -10.180 1.00 7.04 H ATOM 563 CZ PHE A 35 39.995 32.187 -10.116 1.00 7.04 C ATOM 564 HZ PHE A 35 39.744 31.581 -10.971 1.00 7.04 H ATOM 565 N SER A 36 40.789 32.714 -3.662 1.00 -5.74 N ATOM 566 H SER A 36 39.998 33.165 -3.201 1.00 -5.74 H ATOM 567 CA SER A 36 41.275 31.494 -3.025 1.00 -5.74 C ATOM 568 HA SER A 36 41.680 30.804 -3.765 1.00 -5.74 H ATOM 569 C SER A 36 40.000 30.936 -2.437 1.00 -5.74 C ATOM 570 O SER A 36 39.178 31.791 -2.052 1.00 -5.74 O ATOM 571 OXT SER A 36 39.748 29.721 -2.510 1.00 -5.74 O ATOM 572 CB SER A 36 42.303 31.781 -1.934 1.00 -5.74 C ATOM 573 1HB SER A 36 43.166 32.283 -2.373 1.00 -5.74 H ATOM 574 2HB SER A 36 41.853 32.426 -1.178 1.00 -5.74 H ATOM 575 OG SER A 36 42.716 30.562 -1.339 1.00 -5.74 O ATOM 576 HG SER A 36 41.955 29.969 -1.324 1.00 -5.74 H TER 577 SER A 36 CONECT 299 296 467 CONECT 467 299 464 END
SEQUENCE	ELPKLPDDKVLIRSRSNCPKGKVWNGFDCKSPFAFS
HELICITY	63.90	INSTAB. INDEX	58.73	FLEXIBILITY	12.22
a HYD. MOM.	35.79	b HYD. MOM.	9.91	c HYD. MOM	1.94
a MEAN HYD. MOM.	0.99	b MEAN HYD. MOM.	0.28	c MEAN HYD. MOM.	0.05
CHARGE pH5	3.35	CHARGE pH7	2.91	CHARGE pH9	1.03
Δ CHARGE pH5-pH9	2.33	ISOELECTRIC POINT	9.25	BOMAN INDEX	2.00
ΔG	26	CPP	-0,60	MLP	-18,14
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Coleoptera
FAMILY	Scarabaeidae	GENUS	Oryctes	SPECIES	Oryctes rhinoceros
DATE	2003
TITLE PAPER	Scarabaecin, a novel cysteine-containing antifungal peptide from the rhinoceros beetle, Oryctes rhinoceros