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ID	2077	NAME	Cupiennin 1b   Blast NCBI-PROT
LENGTH	35	DISULFIDE BRIDGE			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\GFGSLFKFLAKKVAKTVAKQAAKQGAKYIANKQME.pdb REMARK YASARA Written on: Wed May 14 15:52:52 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 562 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: CUPIENNIN-1A; COMPND 3 CHAIN: A; SEQRES 1 A 35 GLY PHE GLY SER LEU PHE LYS PHE LEU ALA LYS LYS VAL SEQRES 2 A 35 ALA LYS THR VAL ALA LYS GLN ALA ALA LYS GLN GLY ALA SEQRES 3 A 35 LYS TYR ILE ALA ASN LYS GLN MET GLU CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N GLY A 1 20.117 -22.337 16.471 1.00-28.55 N ATOM 2 1H GLY A 1 20.625 -22.530 15.620 1.00-28.55 H ATOM 3 2H GLY A 1 20.715 -22.508 17.268 1.00-28.55 H ATOM 4 3H GLY A 1 19.824 -21.370 16.480 1.00-28.55 H ATOM 5 CA GLY A 1 18.925 -23.212 16.552 1.00-28.55 C ATOM 6 1HA GLY A 1 18.282 -23.028 15.692 1.00-28.55 H ATOM 7 2HA GLY A 1 19.244 -24.253 16.555 1.00-28.55 H ATOM 8 C GLY A 1 18.157 -22.928 17.813 1.00-28.55 C ATOM 9 O GLY A 1 18.447 -21.917 18.427 1.00-28.55 O ATOM 10 N PHE A 2 17.222 -23.772 18.226 1.00-10.54 N ATOM 11 H PHE A 2 16.975 -24.584 17.683 1.00-10.54 H ATOM 12 CA PHE A 2 16.566 -23.587 19.519 1.00-10.54 C ATOM 13 HA PHE A 2 16.256 -22.547 19.636 1.00-10.54 H ATOM 14 C PHE A 2 17.575 -23.956 20.603 1.00-10.54 C ATOM 15 O PHE A 2 18.556 -24.637 20.304 1.00-10.54 O ATOM 16 CB PHE A 2 15.348 -24.506 19.623 1.00-10.54 C ATOM 17 1HB PHE A 2 15.692 -25.539 19.597 1.00-10.54 H ATOM 18 2HB PHE A 2 14.854 -24.333 20.579 1.00-10.54 H ATOM 19 CG PHE A 2 14.352 -24.310 18.515 1.00-10.54 C ATOM 20 CD1 PHE A 2 14.071 -25.360 17.621 1.00-10.54 C ATOM 21 HD1 PHE A 2 14.539 -26.325 17.754 1.00-10.54 H ATOM 22 CD2 PHE A 2 13.700 -23.075 18.348 1.00-10.54 C ATOM 23 HD2 PHE A 2 13.887 -22.263 19.037 1.00-10.54 H ATOM 24 CE1 PHE A 2 13.167 -25.176 16.548 1.00-10.54 C ATOM 25 HE1 PHE A 2 12.955 -25.990 15.868 1.00-10.54 H ATOM 26 CE2 PHE A 2 12.792 -22.876 17.279 1.00-10.54 C ATOM 27 HE2 PHE A 2 12.294 -21.923 17.160 1.00-10.54 H ATOM 28 CZ PHE A 2 12.528 -23.929 16.375 1.00-10.54 C ATOM 29 HZ PHE A 2 11.832 -23.783 15.561 1.00-10.54 H ATOM 30 N GLY A 3 17.321 -23.594 21.854 1.00 10.03 N ATOM 31 H GLY A 3 16.504 -23.038 22.066 1.00 10.03 H ATOM 32 CA GLY A 3 18.219 -23.973 22.938 1.00 10.03 C ATOM 33 1HA GLY A 3 19.204 -23.547 22.751 1.00 10.03 H ATOM 34 2HA GLY A 3 17.839 -23.566 23.875 1.00 10.03 H ATOM 35 C GLY A 3 18.376 -25.476 23.085 1.00 10.03 C ATOM 36 O GLY A 3 19.458 -25.978 23.377 1.00 10.03 O ATOM 37 N SER A 4 17.315 -26.220 22.809 1.00 -4.62 N ATOM 38 H SER A 4 16.438 -25.791 22.557 1.00 -4.62 H ATOM 39 CA SER A 4 17.377 -27.678 22.825 1.00 -4.62 C ATOM 40 HA SER A 4 17.730 -28.022 23.797 1.00 -4.62 H ATOM 41 C SER A 4 18.324 -28.206 21.752 1.00 -4.62 C ATOM 42 O SER A 4 19.056 -29.164 21.978 1.00 -4.62 O ATOM 43 CB SER A 4 15.973 -28.215 22.566 1.00 -4.62 C ATOM 44 1HB SER A 4 16.024 -29.268 22.286 1.00 -4.62 H ATOM 45 2HB SER A 4 15.376 -28.107 23.472 1.00 -4.62 H ATOM 46 OG SER A 4 15.374 -27.449 21.530 1.00 -4.62 O ATOM 47 HG SER A 4 14.508 -27.828 21.334 1.00 -4.62 H ATOM 48 N LEU A 5 18.345 -27.564 20.593 1.00 -1.39 N ATOM 49 H LEU A 5 17.752 -26.759 20.463 1.00 -1.39 H ATOM 50 CA LEU A 5 19.200 -28.005 19.495 1.00 -1.39 C ATOM 51 HA LEU A 5 19.143 -29.091 19.427 1.00 -1.39 H ATOM 52 C LEU A 5 20.648 -27.637 19.768 1.00 -1.39 C ATOM 53 O LEU A 5 21.544 -28.383 19.400 1.00 -1.39 O ATOM 54 CB LEU A 5 18.762 -27.408 18.154 1.00 -1.39 C ATOM 55 1HB LEU A 5 18.867 -26.326 18.214 1.00 -1.39 H ATOM 56 2HB LEU A 5 19.459 -27.767 17.397 1.00 -1.39 H ATOM 57 CG LEU A 5 17.339 -27.722 17.663 1.00 -1.39 C ATOM 58 HG LEU A 5 16.630 -27.296 18.370 1.00 -1.39 H ATOM 59 CD1 LEU A 5 17.115 -27.061 16.300 1.00 -1.39 C ATOM 60 1HD1 LEU A 5 16.086 -27.235 15.976 1.00 -1.39 H ATOM 61 2HD1 LEU A 5 17.788 -27.495 15.557 1.00 -1.39 H ATOM 62 3HD1 LEU A 5 17.284 -25.993 16.357 1.00 -1.39 H ATOM 63 CD2 LEU A 5 17.053 -29.218 17.546 1.00 -1.39 C ATOM 64 1HD2 LEU A 5 16.053 -29.375 17.140 1.00 -1.39 H ATOM 65 2HD2 LEU A 5 17.094 -29.688 18.529 1.00 -1.39 H ATOM 66 3HD2 LEU A 5 17.781 -29.696 16.889 1.00 -1.39 H ATOM 67 N PHE A 6 20.895 -26.542 20.473 1.00 -5.33 N ATOM 68 H PHE A 6 20.139 -25.913 20.721 1.00 -5.33 H ATOM 69 CA PHE A 6 22.258 -26.246 20.913 1.00 -5.33 C ATOM 70 HA PHE A 6 22.926 -26.291 20.054 1.00 -5.33 H ATOM 71 C PHE A 6 22.729 -27.300 21.911 1.00 -5.33 C ATOM 72 O PHE A 6 23.885 -27.705 21.885 1.00 -5.33 O ATOM 73 CB PHE A 6 22.370 -24.860 21.551 1.00 -5.33 C ATOM 74 1HB PHE A 6 21.564 -24.721 22.269 1.00 -5.33 H ATOM 75 2HB PHE A 6 23.317 -24.817 22.090 1.00 -5.33 H ATOM 76 CG PHE A 6 22.368 -23.729 20.557 1.00 -5.33 C ATOM 77 CD1 PHE A 6 21.304 -22.812 20.504 1.00 -5.33 C ATOM 78 HD1 PHE A 6 20.451 -22.939 21.151 1.00 -5.33 H ATOM 79 CD2 PHE A 6 23.469 -23.545 19.700 1.00 -5.33 C ATOM 80 HD2 PHE A 6 24.301 -24.234 19.736 1.00 -5.33 H ATOM 81 CE1 PHE A 6 21.349 -21.697 19.630 1.00 -5.33 C ATOM 82 HE1 PHE A 6 20.539 -20.980 19.629 1.00 -5.33 H ATOM 83 CE2 PHE A 6 23.519 -22.448 18.803 1.00 -5.33 C ATOM 84 HE2 PHE A 6 24.377 -22.315 18.159 1.00 -5.33 H ATOM 85 CZ PHE A 6 22.462 -21.513 18.779 1.00 -5.33 C ATOM 86 HZ PHE A 6 22.513 -20.653 18.126 1.00 -5.33 H ATOM 87 N LYS A 7 21.838 -27.815 22.747 1.00 -6.45 N ATOM 88 H LYS A 7 20.897 -27.434 22.783 1.00 -6.45 H ATOM 89 CA LYS A 7 22.214 -28.926 23.626 1.00 -6.45 C ATOM 90 HA LYS A 7 23.163 -28.672 24.100 1.00 -6.45 H ATOM 91 C LYS A 7 22.461 -30.207 22.836 1.00 -6.45 C ATOM 92 O LYS A 7 23.340 -30.977 23.196 1.00 -6.45 O ATOM 93 CB LYS A 7 21.181 -29.141 24.734 1.00 -6.45 C ATOM 94 1HB LYS A 7 20.189 -29.242 24.296 1.00 -6.45 H ATOM 95 2HB LYS A 7 21.427 -30.066 25.257 1.00 -6.45 H ATOM 96 CG LYS A 7 21.178 -28.000 25.748 1.00 -6.45 C ATOM 97 1HG LYS A 7 22.190 -27.874 26.132 1.00 -6.45 H ATOM 98 2HG LYS A 7 20.877 -27.078 25.255 1.00 -6.45 H ATOM 99 CD LYS A 7 20.242 -28.263 26.919 1.00 -6.45 C ATOM 100 1HD LYS A 7 19.225 -28.395 26.547 1.00 -6.45 H ATOM 101 2HD LYS A 7 20.561 -29.172 27.431 1.00 -6.45 H ATOM 102 CE LYS A 7 20.283 -27.088 27.897 1.00 -6.45 C ATOM 103 1HE LYS A 7 21.320 -26.926 28.203 1.00 -6.45 H ATOM 104 2HE LYS A 7 19.936 -26.189 27.382 1.00 -6.45 H ATOM 105 NZ LYS A 7 19.441 -27.319 29.125 1.00 -6.45 N ATOM 106 1HZ LYS A 7 19.500 -26.516 29.738 1.00 -6.45 H ATOM 107 2HZ LYS A 7 19.773 -28.135 29.623 1.00 -6.45 H ATOM 108 3HZ LYS A 7 18.475 -27.461 28.862 1.00 -6.45 H ATOM 109 N PHE A 8 21.772 -30.434 21.728 1.00 7.08 N ATOM 110 H PHE A 8 21.009 -29.819 21.470 1.00 7.08 H ATOM 111 CA PHE A 8 22.140 -31.551 20.853 1.00 7.08 C ATOM 112 HA PHE A 8 22.247 -32.446 21.461 1.00 7.08 H ATOM 113 C PHE A 8 23.491 -31.327 20.177 1.00 7.08 C ATOM 114 O PHE A 8 24.242 -32.283 19.999 1.00 7.08 O ATOM 115 CB PHE A 8 21.081 -31.832 19.786 1.00 7.08 C ATOM 116 1HB PHE A 8 20.702 -30.895 19.384 1.00 7.08 H ATOM 117 2HB PHE A 8 21.562 -32.379 18.975 1.00 7.08 H ATOM 118 CG PHE A 8 19.943 -32.684 20.279 1.00 7.08 C ATOM 119 CD1 PHE A 8 18.717 -32.113 20.657 1.00 7.08 C ATOM 120 HD1 PHE A 8 18.572 -31.048 20.577 1.00 7.08 H ATOM 121 CD2 PHE A 8 20.095 -34.082 20.348 1.00 7.08 C ATOM 122 HD2 PHE A 8 21.025 -34.537 20.037 1.00 7.08 H ATOM 123 CE1 PHE A 8 17.654 -32.921 21.133 1.00 7.08 C ATOM 124 HE1 PHE A 8 16.719 -32.467 21.428 1.00 7.08 H ATOM 125 CE2 PHE A 8 19.036 -34.908 20.802 1.00 7.08 C ATOM 126 HE2 PHE A 8 19.156 -35.983 20.824 1.00 7.08 H ATOM 127 CZ PHE A 8 17.814 -34.324 21.203 1.00 7.08 C ATOM 128 HZ PHE A 8 16.998 -34.946 21.544 1.00 7.08 H ATOM 129 N LEU A 9 23.851 -30.098 19.837 1.00 -3.98 N ATOM 130 H LEU A 9 23.196 -29.328 19.944 1.00 -3.98 H ATOM 131 CA LEU A 9 25.194 -29.837 19.315 1.00 -3.98 C ATOM 132 HA LEU A 9 25.393 -30.527 18.499 1.00 -3.98 H ATOM 133 C LEU A 9 26.234 -30.100 20.399 1.00 -3.98 C ATOM 134 O LEU A 9 27.267 -30.700 20.122 1.00 -3.98 O ATOM 135 CB LEU A 9 25.339 -28.401 18.795 1.00 -3.98 C ATOM 136 1HB LEU A 9 25.095 -27.721 19.609 1.00 -3.98 H ATOM 137 2HB LEU A 9 26.390 -28.249 18.551 1.00 -3.98 H ATOM 138 CG LEU A 9 24.515 -27.987 17.564 1.00 -3.98 C ATOM 139 HG LEU A 9 23.463 -28.155 17.773 1.00 -3.98 H ATOM 140 CD1 LEU A 9 24.710 -26.500 17.289 1.00 -3.98 C ATOM 141 1HD1 LEU A 9 24.102 -26.197 16.437 1.00 -3.98 H ATOM 142 2HD1 LEU A 9 25.760 -26.289 17.074 1.00 -3.98 H ATOM 143 3HD1 LEU A 9 24.403 -25.924 18.160 1.00 -3.98 H ATOM 144 CD2 LEU A 9 24.881 -28.792 16.313 1.00 -3.98 C ATOM 145 1HD2 LEU A 9 24.313 -28.419 15.461 1.00 -3.98 H ATOM 146 2HD2 LEU A 9 24.633 -29.837 16.472 1.00 -3.98 H ATOM 147 3HD2 LEU A 9 25.949 -28.691 16.105 1.00 -3.98 H ATOM 148 N ALA A 10 25.945 -29.737 21.640 1.00 9.48 N ATOM 149 H ALA A 10 25.096 -29.208 21.821 1.00 9.48 H ATOM 150 CA ALA A 10 26.839 -30.043 22.755 1.00 9.48 C ATOM 151 HA ALA A 10 27.819 -29.621 22.529 1.00 9.48 H ATOM 152 C ALA A 10 27.021 -31.557 22.942 1.00 9.48 C ATOM 153 O ALA A 10 28.121 -32.019 23.229 1.00 9.48 O ATOM 154 CB ALA A 10 26.318 -29.388 24.039 1.00 9.48 C ATOM 155 1HB ALA A 10 26.191 -28.315 23.880 1.00 9.48 H ATOM 156 2HB ALA A 10 27.040 -29.544 24.842 1.00 9.48 H ATOM 157 3HB ALA A 10 25.364 -29.827 24.326 1.00 9.48 H ATOM 158 N LYS A 11 25.979 -32.348 22.713 1.00 -5.02 N ATOM 159 H LYS A 11 25.075 -31.928 22.519 1.00 -5.02 H ATOM 160 CA LYS A 11 26.120 -33.813 22.737 1.00 -5.02 C ATOM 161 HA LYS A 11 26.555 -34.109 23.692 1.00 -5.02 H ATOM 162 C LYS A 11 27.060 -34.296 21.638 1.00 -5.02 C ATOM 163 O LYS A 11 27.847 -35.211 21.861 1.00 -5.02 O ATOM 164 CB LYS A 11 24.771 -34.519 22.561 1.00 -5.02 C ATOM 165 1HB LYS A 11 24.314 -34.159 21.644 1.00 -5.02 H ATOM 166 2HB LYS A 11 24.953 -35.588 22.448 1.00 -5.02 H ATOM 167 CG LYS A 11 23.785 -34.325 23.703 1.00 -5.02 C ATOM 168 1HG LYS A 11 24.167 -34.803 24.605 1.00 -5.02 H ATOM 169 2HG LYS A 11 23.660 -33.267 23.896 1.00 -5.02 H ATOM 170 CD LYS A 11 22.429 -34.915 23.337 1.00 -5.02 C ATOM 171 1HD LYS A 11 22.111 -34.496 22.384 1.00 -5.02 H ATOM 172 2HD LYS A 11 22.522 -35.997 23.235 1.00 -5.02 H ATOM 173 CE LYS A 11 21.380 -34.584 24.391 1.00 -5.02 C ATOM 174 1HE LYS A 11 21.691 -35.009 25.348 1.00 -5.02 H ATOM 175 2HE LYS A 11 21.318 -33.498 24.495 1.00 -5.02 H ATOM 176 NZ LYS A 11 20.028 -35.126 24.010 1.00 -5.02 N ATOM 177 1HZ LYS A 11 19.349 -34.891 24.721 1.00 -5.02 H ATOM 178 2HZ LYS A 11 20.076 -36.132 23.918 1.00 -5.02 H ATOM 179 3HZ LYS A 11 19.733 -34.726 23.127 1.00 -5.02 H ATOM 180 N LYS A 12 27.014 -33.689 20.459 1.00 1.61 N ATOM 181 H LYS A 12 26.349 -32.935 20.316 1.00 1.61 H ATOM 182 CA LYS A 12 27.925 -34.075 19.371 1.00 1.61 C ATOM 183 HA LYS A 12 27.873 -35.153 19.229 1.00 1.61 H ATOM 184 C LYS A 12 29.358 -33.721 19.743 1.00 1.61 C ATOM 185 O LYS A 12 30.273 -34.507 19.494 1.00 1.61 O ATOM 186 CB LYS A 12 27.568 -33.373 18.056 1.00 1.61 C ATOM 187 1HB LYS A 12 27.600 -32.297 18.215 1.00 1.61 H ATOM 188 2HB LYS A 12 28.326 -33.624 17.313 1.00 1.61 H ATOM 189 CG LYS A 12 26.202 -33.736 17.493 1.00 1.61 C ATOM 190 1HG LYS A 12 26.176 -34.800 17.258 1.00 1.61 H ATOM 191 2HG LYS A 12 25.438 -33.521 18.232 1.00 1.61 H ATOM 192 CD LYS A 12 25.905 -32.925 16.239 1.00 1.61 C ATOM 193 1HD LYS A 12 26.005 -31.865 16.473 1.00 1.61 H ATOM 194 2HD LYS A 12 26.626 -33.188 15.464 1.00 1.61 H ATOM 195 CE LYS A 12 24.489 -33.194 15.735 1.00 1.61 C ATOM 196 1HE LYS A 12 24.382 -34.263 15.535 1.00 1.61 H ATOM 197 2HE LYS A 12 23.778 -32.914 16.516 1.00 1.61 H ATOM 198 NZ LYS A 12 24.184 -32.419 14.480 1.00 1.61 N ATOM 199 1HZ LYS A 12 23.242 -32.620 14.171 1.00 1.61 H ATOM 200 2HZ LYS A 12 24.833 -32.678 13.749 1.00 1.61 H ATOM 201 3HZ LYS A 12 24.267 -31.427 14.659 1.00 1.61 H ATOM 202 N VAL A 13 29.551 -32.570 20.369 1.00 -5.67 N ATOM 203 H VAL A 13 28.762 -31.948 20.529 1.00 -5.67 H ATOM 204 CA VAL A 13 30.875 -32.156 20.832 1.00 -5.67 C ATOM 205 HA VAL A 13 31.564 -32.201 19.992 1.00 -5.67 H ATOM 206 C VAL A 13 31.366 -33.144 21.885 1.00 -5.67 C ATOM 207 O VAL A 13 32.476 -33.653 21.764 1.00 -5.67 O ATOM 208 CB VAL A 13 30.852 -30.695 21.382 1.00 -5.67 C ATOM 209 HB VAL A 13 30.052 -30.615 22.114 1.00 -5.67 H ATOM 210 CG1 VAL A 13 32.165 -30.302 22.079 1.00 -5.67 C ATOM 211 1HG1 VAL A 13 32.108 -29.262 22.405 1.00 -5.67 H ATOM 212 2HG1 VAL A 13 33.012 -30.414 21.406 1.00 -5.67 H ATOM 213 3HG1 VAL A 13 32.315 -30.921 22.963 1.00 -5.67 H ATOM 214 CG2 VAL A 13 30.571 -29.704 20.242 1.00 -5.67 C ATOM 215 1HG2 VAL A 13 30.500 -28.693 20.645 1.00 -5.67 H ATOM 216 2HG2 VAL A 13 29.629 -29.940 19.753 1.00 -5.67 H ATOM 217 3HG2 VAL A 13 31.374 -29.737 19.504 1.00 -5.67 H ATOM 218 N ALA A 14 30.547 -33.483 22.869 1.00 5.79 N ATOM 219 H ALA A 14 29.625 -33.052 22.927 1.00 5.79 H ATOM 220 CA ALA A 14 30.949 -34.423 23.913 1.00 5.79 C ATOM 221 HA ALA A 14 31.846 -34.036 24.396 1.00 5.79 H ATOM 222 C ALA A 14 31.284 -35.809 23.348 1.00 5.79 C ATOM 223 O ALA A 14 32.222 -36.473 23.801 1.00 5.79 O ATOM 224 CB ALA A 14 29.832 -34.522 24.961 1.00 5.79 C ATOM 225 1HB ALA A 14 29.625 -33.533 25.374 1.00 5.79 H ATOM 226 2HB ALA A 14 30.144 -35.185 25.769 1.00 5.79 H ATOM 227 3HB ALA A 14 28.922 -34.915 24.505 1.00 5.79 H ATOM 228 N LYS A 15 30.516 -36.246 22.357 1.00 0.32 N ATOM 229 H LYS A 15 29.713 -35.687 22.074 1.00 0.32 H ATOM 230 CA LYS A 15 30.762 -37.526 21.692 1.00 0.32 C ATOM 231 HA LYS A 15 30.859 -38.293 22.458 1.00 0.32 H ATOM 232 C LYS A 15 32.043 -37.529 20.863 1.00 0.32 C ATOM 233 O LYS A 15 32.728 -38.545 20.817 1.00 0.32 O ATOM 234 CB LYS A 15 29.572 -37.885 20.792 1.00 0.32 C ATOM 235 1HB LYS A 15 28.653 -37.739 21.360 1.00 0.32 H ATOM 236 2HB LYS A 15 29.558 -37.208 19.938 1.00 0.32 H ATOM 237 CG LYS A 15 29.590 -39.327 20.285 1.00 0.32 C ATOM 238 1HG LYS A 15 30.501 -39.495 19.712 1.00 0.32 H ATOM 239 2HG LYS A 15 29.585 -40.003 21.140 1.00 0.32 H ATOM 240 CD LYS A 15 28.396 -39.646 19.394 1.00 0.32 C ATOM 241 1HD LYS A 15 27.477 -39.501 19.964 1.00 0.32 H ATOM 242 2HD LYS A 15 28.399 -38.971 18.537 1.00 0.32 H ATOM 243 CE LYS A 15 28.476 -41.094 18.907 1.00 0.32 C ATOM 244 1HE LYS A 15 29.406 -41.224 18.347 1.00 0.32 H ATOM 245 2HE LYS A 15 28.509 -41.754 19.778 1.00 0.32 H ATOM 246 NZ LYS A 15 27.312 -41.489 18.036 1.00 0.32 N ATOM 247 1HZ LYS A 15 27.418 -42.450 17.740 1.00 0.32 H ATOM 248 2HZ LYS A 15 27.276 -40.896 17.218 1.00 0.32 H ATOM 249 3HZ LYS A 15 26.448 -41.397 18.553 1.00 0.32 H ATOM 250 N THR A 16 32.345 -36.437 20.174 1.00 6.55 N ATOM 251 H THR A 16 31.758 -35.614 20.259 1.00 6.55 H ATOM 252 CA THR A 16 33.468 -36.422 19.227 1.00 6.55 C ATOM 253 HA THR A 16 34.035 -37.343 19.350 1.00 6.55 H ATOM 254 C THR A 16 34.490 -35.294 19.361 1.00 6.55 C ATOM 255 O THR A 16 35.669 -35.566 19.552 1.00 6.55 O ATOM 256 CB THR A 16 32.952 -36.403 17.762 1.00 6.55 C ATOM 257 HB THR A 16 33.806 -36.366 17.085 1.00 6.55 H ATOM 258 OG1 THR A 16 32.117 -35.262 17.544 1.00 6.55 O ATOM 259 HG1 THR A 16 31.355 -35.307 18.137 1.00 6.55 H ATOM 260 CG2 THR A 16 32.112 -37.627 17.428 1.00 6.55 C ATOM 261 1HG2 THR A 16 31.886 -37.618 16.362 1.00 6.55 H ATOM 262 2HG2 THR A 16 31.180 -37.610 17.989 1.00 6.55 H ATOM 263 3HG2 THR A 16 32.669 -38.536 17.664 1.00 6.55 H ATOM 264 N VAL A 17 34.085 -34.040 19.239 1.00 13.94 N ATOM 265 H VAL A 17 33.099 -33.846 19.128 1.00 13.94 H ATOM 266 CA VAL A 17 35.034 -32.927 19.146 1.00 13.94 C ATOM 267 HA VAL A 17 35.744 -33.160 18.352 1.00 13.94 H ATOM 268 C VAL A 17 35.832 -32.741 20.436 1.00 13.94 C ATOM 269 O VAL A 17 37.039 -32.519 20.402 1.00 13.94 O ATOM 270 CB VAL A 17 34.292 -31.612 18.762 1.00 13.94 C ATOM 271 HB VAL A 17 33.604 -31.363 19.562 1.00 13.94 H ATOM 272 CG1 VAL A 17 35.263 -30.440 18.571 1.00 13.94 C ATOM 273 1HG1 VAL A 17 34.711 -29.543 18.285 1.00 13.94 H ATOM 274 2HG1 VAL A 17 35.991 -30.674 17.793 1.00 13.94 H ATOM 275 3HG1 VAL A 17 35.791 -30.232 19.503 1.00 13.94 H ATOM 276 CG2 VAL A 17 33.468 -31.810 17.474 1.00 13.94 C ATOM 277 1HG2 VAL A 17 33.007 -30.865 17.184 1.00 13.94 H ATOM 278 2HG2 VAL A 17 32.672 -32.537 17.631 1.00 13.94 H ATOM 279 3HG2 VAL A 17 34.112 -32.152 16.662 1.00 13.94 H ATOM 280 N ALA A 18 35.188 -32.915 21.581 1.00 0.10 N ATOM 281 H ALA A 18 34.196 -33.138 21.573 1.00 0.10 H ATOM 282 CA ALA A 18 35.871 -32.803 22.866 1.00 0.10 C ATOM 283 HA ALA A 18 36.427 -31.864 22.892 1.00 0.10 H ATOM 284 C ALA A 18 36.867 -33.949 23.036 1.00 0.10 C ATOM 285 O ALA A 18 37.913 -33.791 23.649 1.00 0.10 O ATOM 286 CB ALA A 18 34.847 -32.808 24.008 1.00 0.10 C ATOM 287 1HB ALA A 18 34.183 -31.950 23.910 1.00 0.10 H ATOM 288 2HB ALA A 18 35.372 -32.740 24.962 1.00 0.10 H ATOM 289 3HB ALA A 18 34.261 -33.727 23.985 1.00 0.10 H ATOM 290 N LYS A 19 36.562 -35.107 22.466 1.00-13.82 N ATOM 291 H LYS A 19 35.707 -35.194 21.936 1.00-13.82 H ATOM 292 CA LYS A 19 37.473 -36.247 22.575 1.00-13.82 C ATOM 293 HA LYS A 19 37.847 -36.293 23.599 1.00-13.82 H ATOM 294 C LYS A 19 38.669 -36.039 21.659 1.00-13.82 C ATOM 295 O LYS A 19 39.796 -36.382 21.995 1.00-13.82 O ATOM 296 CB LYS A 19 36.761 -37.563 22.253 1.00-13.82 C ATOM 297 1HB LYS A 19 36.464 -37.575 21.204 1.00-13.82 H ATOM 298 2HB LYS A 19 37.467 -38.377 22.421 1.00-13.82 H ATOM 299 CG LYS A 19 35.525 -37.786 23.113 1.00-13.82 C ATOM 300 1HG LYS A 19 35.746 -37.464 24.131 1.00-13.82 H ATOM 301 2HG LYS A 19 34.704 -37.187 22.718 1.00-13.82 H ATOM 302 CD LYS A 19 35.120 -39.255 23.143 1.00-13.82 C ATOM 303 1HD LYS A 19 35.067 -39.636 22.122 1.00-13.82 H ATOM 304 2HD LYS A 19 35.885 -39.814 23.684 1.00-13.82 H ATOM 305 CE LYS A 19 33.763 -39.472 23.818 1.00-13.82 C ATOM 306 1HE LYS A 19 32.986 -39.109 23.145 1.00-13.82 H ATOM 307 2HE LYS A 19 33.613 -40.544 23.961 1.00-13.82 H ATOM 308 NZ LYS A 19 33.607 -38.759 25.130 1.00-13.82 N ATOM 309 1HZ LYS A 19 32.756 -39.059 25.585 1.00-13.82 H ATOM 310 2HZ LYS A 19 33.540 -37.761 24.956 1.00-13.82 H ATOM 311 3HZ LYS A 19 34.398 -38.949 25.729 1.00-13.82 H ATOM 312 N GLN A 20 38.436 -35.399 20.524 1.00 6.63 N ATOM 313 H GLN A 20 37.488 -35.130 20.283 1.00 6.63 H ATOM 314 CA GLN A 20 39.525 -35.062 19.614 1.00 6.63 C ATOM 315 HA GLN A 20 40.157 -35.941 19.485 1.00 6.63 H ATOM 316 C GLN A 20 40.405 -33.939 20.142 1.00 6.63 C ATOM 317 O GLN A 20 41.493 -33.754 19.618 1.00 6.63 O ATOM 318 CB GLN A 20 39.002 -34.608 18.251 1.00 6.63 C ATOM 319 1HB GLN A 20 38.273 -33.814 18.397 1.00 6.63 H ATOM 320 2HB GLN A 20 39.845 -34.194 17.700 1.00 6.63 H ATOM 321 CG GLN A 20 38.388 -35.694 17.389 1.00 6.63 C ATOM 322 1HG GLN A 20 39.109 -36.501 17.264 1.00 6.63 H ATOM 323 2HG GLN A 20 37.499 -36.091 17.871 1.00 6.63 H ATOM 324 CD GLN A 20 38.019 -35.157 16.024 1.00 6.63 C ATOM 325 OE1 GLN A 20 38.792 -34.431 15.401 1.00 6.63 O ATOM 326 NE2 GLN A 20 36.846 -35.481 15.553 1.00 6.63 N ATOM 327 1HE2 GLN A 20 36.576 -35.132 14.649 1.00 6.63 H ATOM 328 2HE2 GLN A 20 36.233 -36.073 16.086 1.00 6.63 H ATOM 329 N ALA A 21 39.983 -33.199 21.161 1.00 4.94 N ATOM 330 H ALA A 21 39.082 -33.387 21.581 1.00 4.94 H ATOM 331 CA ALA A 21 40.771 -32.077 21.675 1.00 4.94 C ATOM 332 HA ALA A 21 40.956 -31.389 20.851 1.00 4.94 H ATOM 333 C ALA A 21 42.135 -32.525 22.214 1.00 4.94 C ATOM 334 O ALA A 21 43.095 -31.750 22.256 1.00 4.94 O ATOM 335 CB ALA A 21 39.977 -31.335 22.753 1.00 4.94 C ATOM 336 1HB ALA A 21 39.014 -31.018 22.352 1.00 4.94 H ATOM 337 2HB ALA A 21 40.537 -30.457 23.079 1.00 4.94 H ATOM 338 3HB ALA A 21 39.812 -31.988 23.612 1.00 4.94 H ATOM 339 N ALA A 22 42.238 -33.807 22.539 1.00 19.40 N ATOM 340 H ALA A 22 41.418 -34.396 22.475 1.00 19.40 H ATOM 341 CA ALA A 22 43.499 -34.415 22.944 1.00 19.40 C ATOM 342 HA ALA A 22 43.837 -33.927 23.860 1.00 19.40 H ATOM 343 C ALA A 22 44.612 -34.247 21.897 1.00 19.40 C ATOM 344 O ALA A 22 45.786 -34.208 22.257 1.00 19.40 O ATOM 345 CB ALA A 22 43.261 -35.900 23.243 1.00 19.40 C ATOM 346 1HB ALA A 22 42.522 -36.005 24.038 1.00 19.40 H ATOM 347 2HB ALA A 22 44.196 -36.362 23.566 1.00 19.40 H ATOM 348 3HB ALA A 22 42.900 -36.412 22.349 1.00 19.40 H ATOM 349 N LYS A 23 44.282 -34.096 20.617 1.00 9.53 N ATOM 350 H LYS A 23 43.302 -34.104 20.342 1.00 9.53 H ATOM 351 CA LYS A 23 45.319 -33.899 19.595 1.00 9.53 C ATOM 352 HA LYS A 23 46.072 -34.674 19.746 1.00 9.53 H ATOM 353 C LYS A 23 46.026 -32.553 19.747 1.00 9.53 C ATOM 354 O LYS A 23 47.198 -32.438 19.402 1.00 9.53 O ATOM 355 CB LYS A 23 44.753 -34.080 18.178 1.00 9.53 C ATOM 356 1HB LYS A 23 45.580 -34.211 17.479 1.00 9.53 H ATOM 357 2HB LYS A 23 44.158 -34.994 18.177 1.00 9.53 H ATOM 358 CG LYS A 23 43.889 -32.931 17.679 1.00 9.53 C ATOM 359 1HG LYS A 23 43.277 -32.586 18.502 1.00 9.53 H ATOM 360 2HG LYS A 23 44.524 -32.105 17.360 1.00 9.53 H ATOM 361 CD LYS A 23 42.962 -33.340 16.545 1.00 9.53 C ATOM 362 1HD LYS A 23 43.550 -33.593 15.662 1.00 9.53 H ATOM 363 2HD LYS A 23 42.382 -34.210 16.857 1.00 9.53 H ATOM 364 CE LYS A 23 42.003 -32.196 16.233 1.00 9.53 C ATOM 365 1HE LYS A 23 41.472 -31.930 17.152 1.00 9.53 H ATOM 366 2HE LYS A 23 42.583 -31.328 15.914 1.00 9.53 H ATOM 367 NZ LYS A 23 41.001 -32.553 15.167 1.00 9.53 N ATOM 368 1HZ LYS A 23 40.408 -31.759 14.971 1.00 9.53 H ATOM 369 2HZ LYS A 23 40.411 -33.323 15.475 1.00 9.53 H ATOM 370 3HZ LYS A 23 41.477 -32.829 14.320 1.00 9.53 H ATOM 371 N GLN A 24 45.370 -31.552 20.323 1.00 14.15 N ATOM 372 H GLN A 24 44.403 -31.670 20.608 1.00 14.15 H ATOM 373 CA GLN A 24 46.051 -30.286 20.590 1.00 14.15 C ATOM 374 HA GLN A 24 46.616 -29.986 19.707 1.00 14.15 H ATOM 375 C GLN A 24 47.035 -30.506 21.730 1.00 14.15 C ATOM 376 O GLN A 24 48.153 -30.017 21.678 1.00 14.15 O ATOM 377 CB GLN A 24 45.091 -29.156 20.979 1.00 14.15 C ATOM 378 1HB GLN A 24 44.474 -29.474 21.818 1.00 14.15 H ATOM 379 2HB GLN A 24 45.700 -28.319 21.312 1.00 14.15 H ATOM 380 CG GLN A 24 44.195 -28.641 19.858 1.00 14.15 C ATOM 381 1HG GLN A 24 44.060 -27.569 19.996 1.00 14.15 H ATOM 382 2HG GLN A 24 44.685 -28.805 18.899 1.00 14.15 H ATOM 383 CD GLN A 24 42.826 -29.283 19.837 1.00 14.15 C ATOM 384 OE1 GLN A 24 42.588 -30.250 19.132 1.00 14.15 O ATOM 385 NE2 GLN A 24 41.906 -28.733 20.584 1.00 14.15 N ATOM 386 1HE2 GLN A 24 40.982 -29.128 20.577 1.00 14.15 H ATOM 387 2HE2 GLN A 24 42.130 -27.939 21.160 1.00 14.15 H ATOM 388 N GLY A 25 46.645 -31.297 22.721 1.00 26.03 N ATOM 389 H GLY A 25 45.719 -31.704 22.707 1.00 26.03 H ATOM 390 CA GLY A 25 47.539 -31.607 23.828 1.00 26.03 C ATOM 391 1HA GLY A 25 47.874 -30.683 24.293 1.00 26.03 H ATOM 392 2HA GLY A 25 47.005 -32.204 24.567 1.00 26.03 H ATOM 393 C GLY A 25 48.756 -32.377 23.357 1.00 26.03 C ATOM 394 O GLY A 25 49.889 -32.069 23.734 1.00 26.03 O ATOM 395 N ALA A 26 48.530 -33.326 22.459 1.00 41.98 N ATOM 396 H ALA A 26 47.573 -33.551 22.202 1.00 41.98 H ATOM 397 CA ALA A 26 49.618 -34.072 21.841 1.00 41.98 C ATOM 398 HA ALA A 26 50.203 -34.546 22.630 1.00 41.98 H ATOM 399 C ALA A 26 50.542 -33.123 21.070 1.00 41.98 C ATOM 400 O ALA A 26 51.762 -33.237 21.159 1.00 41.98 O ATOM 401 CB ALA A 26 49.053 -35.161 20.920 1.00 41.98 C ATOM 402 1HB ALA A 26 48.396 -35.821 21.489 1.00 41.98 H ATOM 403 2HB ALA A 26 49.876 -35.748 20.508 1.00 41.98 H ATOM 404 3HB ALA A 26 48.493 -34.709 20.102 1.00 41.98 H ATOM 405 N LYS A 27 49.993 -32.155 20.346 1.00 17.19 N ATOM 406 H LYS A 27 48.982 -32.099 20.248 1.00 17.19 H ATOM 407 CA LYS A 27 50.851 -31.179 19.674 1.00 17.19 C ATOM 408 HA LYS A 27 51.580 -31.734 19.086 1.00 17.19 H ATOM 409 C LYS A 27 51.613 -30.346 20.696 1.00 17.19 C ATOM 410 O LYS A 27 52.780 -30.089 20.487 1.00 17.19 O ATOM 411 CB LYS A 27 50.076 -30.249 18.728 1.00 17.19 C ATOM 412 1HB LYS A 27 49.117 -30.712 18.497 1.00 17.19 H ATOM 413 2HB LYS A 27 49.879 -29.311 19.248 1.00 17.19 H ATOM 414 CG LYS A 27 50.790 -29.941 17.386 1.00 17.19 C ATOM 415 1HG LYS A 27 50.894 -30.873 16.831 1.00 17.19 H ATOM 416 2HG LYS A 27 50.154 -29.269 16.809 1.00 17.19 H ATOM 417 CD LYS A 27 52.189 -29.304 17.520 1.00 17.19 C ATOM 418 1HD LYS A 27 52.123 -28.418 18.153 1.00 17.19 H ATOM 419 2HD LYS A 27 52.855 -30.026 17.990 1.00 17.19 H ATOM 420 CE LYS A 27 52.805 -28.916 16.180 1.00 17.19 C ATOM 421 1HE LYS A 27 52.795 -29.784 15.518 1.00 17.19 H ATOM 422 2HE LYS A 27 52.208 -28.120 15.730 1.00 17.19 H ATOM 423 NZ LYS A 27 54.228 -28.447 16.360 1.00 17.19 N ATOM 424 1HZ LYS A 27 54.611 -28.121 15.483 1.00 17.19 H ATOM 425 2HZ LYS A 27 54.804 -29.200 16.709 1.00 17.19 H ATOM 426 3HZ LYS A 27 54.271 -27.682 17.033 1.00 17.19 H ATOM 427 N TYR A 28 51.013 -29.930 21.800 1.00-10.37 N ATOM 428 H TYR A 28 50.035 -30.158 21.967 1.00-10.37 H ATOM 429 CA TYR A 28 51.733 -29.094 22.761 1.00-10.37 C ATOM 430 HA TYR A 28 52.113 -28.226 22.225 1.00-10.37 H ATOM 431 C TYR A 28 52.941 -29.790 23.381 1.00-10.37 C ATOM 432 O TYR A 28 53.959 -29.140 23.625 1.00-10.37 O ATOM 433 CB TYR A 28 50.817 -28.595 23.884 1.00-10.37 C ATOM 434 1HB TYR A 28 50.449 -29.455 24.442 1.00-10.37 H ATOM 435 2HB TYR A 28 51.410 -27.981 24.560 1.00-10.37 H ATOM 436 CG TYR A 28 49.627 -27.776 23.419 1.00-10.37 C ATOM 437 CD1 TYR A 28 48.366 -27.945 24.031 1.00-10.37 C ATOM 438 HD1 TYR A 28 48.257 -28.638 24.852 1.00-10.37 H ATOM 439 CD2 TYR A 28 49.744 -26.822 22.381 1.00-10.37 C ATOM 440 HD2 TYR A 28 50.701 -26.634 21.917 1.00-10.37 H ATOM 441 CE1 TYR A 28 47.231 -27.222 23.577 1.00-10.37 C ATOM 442 HE1 TYR A 28 46.268 -27.372 24.040 1.00-10.37 H ATOM 443 CE2 TYR A 28 48.608 -26.097 21.927 1.00-10.37 C ATOM 444 HE2 TYR A 28 48.706 -25.380 21.127 1.00-10.37 H ATOM 445 CZ TYR A 28 47.363 -26.316 22.524 1.00-10.37 C ATOM 446 OH TYR A 28 46.259 -25.634 22.081 1.00-10.37 O ATOM 447 HH TYR A 28 46.471 -25.003 21.391 1.00-10.37 H ATOM 448 N ILE A 29 52.876 -31.095 23.607 1.00 0.54 N ATOM 449 H ILE A 29 51.998 -31.595 23.484 1.00 0.54 H ATOM 450 CA ILE A 29 54.067 -31.816 24.067 1.00 0.54 C ATOM 451 HA ILE A 29 54.598 -31.158 24.753 1.00 0.54 H ATOM 452 C ILE A 29 55.041 -32.096 22.912 1.00 0.54 C ATOM 453 O ILE A 29 56.252 -32.023 23.096 1.00 0.54 O ATOM 454 CB ILE A 29 53.712 -33.094 24.891 1.00 0.54 C ATOM 455 HB ILE A 29 54.644 -33.514 25.271 1.00 0.54 H ATOM 456 CG1 ILE A 29 53.011 -34.170 24.041 1.00 0.54 C ATOM 457 1HG1 ILE A 29 52.037 -33.792 23.740 1.00 0.54 H ATOM 458 2HG1 ILE A 29 53.600 -34.350 23.144 1.00 0.54 H ATOM 459 CG2 ILE A 29 52.834 -32.688 26.104 1.00 0.54 C ATOM 460 1HG2 ILE A 29 52.733 -33.530 26.789 1.00 0.54 H ATOM 461 2HG2 ILE A 29 51.838 -32.381 25.775 1.00 0.54 H ATOM 462 3HG2 ILE A 29 53.302 -31.865 26.645 1.00 0.54 H ATOM 463 CD1 ILE A 29 52.803 -35.525 24.727 1.00 0.54 C ATOM 464 1HD1 ILE A 29 52.391 -36.231 24.006 1.00 0.54 H ATOM 465 2HD1 ILE A 29 52.107 -35.427 25.559 1.00 0.54 H ATOM 466 3HD1 ILE A 29 53.758 -35.907 25.092 1.00 0.54 H ATOM 467 N ALA A 30 54.540 -32.333 21.705 1.00 5.19 N ATOM 468 H ALA A 30 53.533 -32.396 21.581 1.00 5.19 H ATOM 469 CA ALA A 30 55.397 -32.553 20.537 1.00 5.19 C ATOM 470 HA ALA A 30 56.173 -33.273 20.801 1.00 5.19 H ATOM 471 C ALA A 30 56.084 -31.259 20.097 1.00 5.19 C ATOM 472 O ALA A 30 57.081 -31.267 19.383 1.00 5.19 O ATOM 473 CB ALA A 30 54.568 -33.129 19.387 1.00 5.19 C ATOM 474 1HB ALA A 30 54.098 -34.061 19.704 1.00 5.19 H ATOM 475 2HB ALA A 30 55.220 -33.329 18.534 1.00 5.19 H ATOM 476 3HB ALA A 30 53.796 -32.419 19.092 1.00 5.19 H ATOM 477 N ASN A 31 55.567 -30.128 20.550 1.00 -3.06 N ATOM 478 H ASN A 31 54.722 -30.166 21.108 1.00 -3.06 H ATOM 479 CA ASN A 31 56.128 -28.823 20.223 1.00 -3.06 C ATOM 480 HA ASN A 31 56.289 -28.787 19.146 1.00 -3.06 H ATOM 481 C ASN A 31 57.467 -28.563 20.897 1.00 -3.06 C ATOM 482 O ASN A 31 58.031 -27.509 20.723 1.00 -3.06 O ATOM 483 CB ASN A 31 55.166 -27.696 20.606 1.00 -3.06 C ATOM 484 1HB ASN A 31 54.148 -28.064 20.595 1.00 -3.06 H ATOM 485 2HB ASN A 31 55.398 -27.360 21.614 1.00 -3.06 H ATOM 486 CG ASN A 31 55.240 -26.532 19.651 1.00 -3.06 C ATOM 487 OD1 ASN A 31 54.921 -26.684 18.474 1.00 -3.06 O ATOM 488 ND2 ASN A 31 55.610 -25.382 20.122 1.00 -3.06 N ATOM 489 1HD2 ASN A 31 55.695 -24.598 19.507 1.00 -3.06 H ATOM 490 2HD2 ASN A 31 55.844 -25.296 21.114 1.00 -3.06 H ATOM 491 N LYS A 32 58.007 -29.537 21.617 1.00-10.74 N ATOM 492 H LYS A 32 57.496 -30.403 21.737 1.00-10.74 H ATOM 493 CA LYS A 32 59.330 -29.426 22.252 1.00-10.74 C ATOM 494 HA LYS A 32 59.605 -28.376 22.364 1.00-10.74 H ATOM 495 C LYS A 32 60.360 -30.039 21.304 1.00-10.74 C ATOM 496 O LYS A 32 61.424 -30.512 21.674 1.00-10.74 O ATOM 497 CB LYS A 32 59.309 -30.064 23.647 1.00-10.74 C ATOM 498 1HB LYS A 32 58.704 -30.968 23.594 1.00-10.74 H ATOM 499 2HB LYS A 32 60.323 -30.351 23.927 1.00-10.74 H ATOM 500 CG LYS A 32 58.755 -29.158 24.771 1.00-10.74 C ATOM 501 1HG LYS A 32 58.779 -29.716 25.707 1.00-10.74 H ATOM 502 2HG LYS A 32 59.416 -28.296 24.868 1.00-10.74 H ATOM 503 CD LYS A 32 57.333 -28.629 24.538 1.00-10.74 C ATOM 504 1HD LYS A 32 57.326 -28.031 23.629 1.00-10.74 H ATOM 505 2HD LYS A 32 56.642 -29.464 24.420 1.00-10.74 H ATOM 506 CE LYS A 32 56.858 -27.728 25.649 1.00-10.74 C ATOM 507 1HE LYS A 32 56.726 -28.301 26.567 1.00-10.74 H ATOM 508 2HE LYS A 32 57.594 -26.935 25.807 1.00-10.74 H ATOM 509 NZ LYS A 32 55.566 -27.112 25.205 1.00-10.74 N ATOM 510 1HZ LYS A 32 55.162 -26.570 25.951 1.00-10.74 H ATOM 511 2HZ LYS A 32 54.922 -27.824 24.882 1.00-10.74 H ATOM 512 3HZ LYS A 32 55.757 -26.470 24.432 1.00-10.74 H ATOM 513 N GLN A 33 59.975 -30.047 20.037 1.00 -2.40 N ATOM 514 H GLN A 33 58.990 -30.031 19.829 1.00 -2.40 H ATOM 515 CA GLN A 33 60.911 -30.023 18.918 1.00 -2.40 C ATOM 516 HA GLN A 33 61.873 -30.439 19.221 1.00 -2.40 H ATOM 517 C GLN A 33 61.112 -28.584 18.429 1.00 -2.40 C ATOM 518 O GLN A 33 61.858 -28.346 17.483 1.00 -2.40 O ATOM 519 CB GLN A 33 60.328 -30.842 17.763 1.00 -2.40 C ATOM 520 1HB GLN A 33 59.368 -30.407 17.486 1.00 -2.40 H ATOM 521 2HB GLN A 33 60.999 -30.770 16.907 1.00 -2.40 H ATOM 522 CG GLN A 33 60.122 -32.317 18.080 1.00 -2.40 C ATOM 523 1HG GLN A 33 61.082 -32.760 18.341 1.00 -2.40 H ATOM 524 2HG GLN A 33 59.449 -32.421 18.930 1.00 -2.40 H ATOM 525 CD GLN A 33 59.532 -33.068 16.909 1.00 -2.40 C ATOM 526 OE1 GLN A 33 58.525 -32.681 16.336 1.00 -2.40 O ATOM 527 NE2 GLN A 33 60.165 -34.146 16.529 1.00 -2.40 N ATOM 528 1HE2 GLN A 33 59.797 -34.659 15.748 1.00 -2.40 H ATOM 529 2HE2 GLN A 33 60.995 -34.442 17.011 1.00 -2.40 H ATOM 530 N MET A 34 60.362 -27.650 19.002 1.00-16.09 N ATOM 531 H MET A 34 59.779 -27.886 19.796 1.00-16.09 H ATOM 532 CA MET A 34 60.276 -26.261 18.533 1.00-16.09 C ATOM 533 HA MET A 34 61.109 -26.043 17.865 1.00-16.09 H ATOM 534 C MET A 34 60.326 -25.299 19.726 1.00-16.09 C ATOM 535 O MET A 34 60.025 -24.112 19.600 1.00-16.09 O ATOM 536 CB MET A 34 58.950 -26.050 17.782 1.00-16.09 C ATOM 537 1HB MET A 34 58.131 -26.225 18.477 1.00-16.09 H ATOM 538 2HB MET A 34 58.901 -25.013 17.456 1.00-16.09 H ATOM 539 CG MET A 34 58.743 -26.957 16.564 1.00-16.09 C ATOM 540 1HG MET A 34 59.544 -26.771 15.849 1.00-16.09 H ATOM 541 2HG MET A 34 58.805 -27.995 16.887 1.00-16.09 H ATOM 542 SD MET A 34 57.138 -26.719 15.736 1.00-16.09 S ATOM 543 CE MET A 34 57.348 -25.099 14.953 1.00-16.09 C ATOM 544 1HE MET A 34 56.461 -24.854 14.371 1.00-16.09 H ATOM 545 2HE MET A 34 58.217 -25.121 14.294 1.00-16.09 H ATOM 546 3HE MET A 34 57.497 -24.337 15.719 1.00-16.09 H ATOM 547 N GLU A 35 60.681 -25.848 20.879 1.00-17.94 N ATOM 548 H GLU A 35 60.997 -26.812 20.907 1.00-17.94 H ATOM 549 CA GLU A 35 60.772 -25.179 22.178 1.00-17.94 C ATOM 550 HA GLU A 35 61.081 -24.139 22.093 1.00-17.94 H ATOM 551 C GLU A 35 61.873 -26.025 22.797 1.00-17.94 C ATOM 552 O GLU A 35 62.626 -25.583 23.684 1.00-17.94 O ATOM 553 OXT GLU A 35 61.942 -27.184 22.314 1.00-17.94 O ATOM 554 CB GLU A 35 59.507 -25.342 23.037 1.00-17.94 C ATOM 555 1HB GLU A 35 59.228 -26.393 23.029 1.00-17.94 H ATOM 556 2HB GLU A 35 59.759 -25.075 24.063 1.00-17.94 H ATOM 557 CG GLU A 35 58.284 -24.529 22.626 1.00-17.94 C ATOM 558 1HG GLU A 35 58.517 -23.465 22.701 1.00-17.94 H ATOM 559 2HG GLU A 35 58.035 -24.760 21.590 1.00-17.94 H ATOM 560 CD GLU A 35 57.074 -24.848 23.501 1.00-17.94 C ATOM 561 OE1 GLU A 35 57.117 -24.663 24.737 1.00-17.94 O ATOM 562 OE2 GLU A 35 56.054 -25.357 22.971 1.00-17.94 O TER 563 GLU A 35 END
SEQUENCE	GFGSLFKFLAKKVAKTVAKQAAKQGAKYIANKQME
HELICITY	94.30	INSTAB. INDEX	27.63	FLEXIBILITY	12.06
a HYD. MOM.	33.89	b HYD. MOM.	6.85	c HYD. MOM	2.39
a MEAN HYD. MOM.	0.97	b MEAN HYD. MOM.	0.20	c MEAN HYD. MOM.	0.07
CHARGE pH5	7.15	CHARGE pH7	7.00	CHARGE pH9	6.49
Δ CHARGE pH5-pH9	0.66	ISOELECTRIC POINT	10.30	BOMAN INDEX	0.88
ΔG	26	CPP	-0,28	MLP	-22,94
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	Araneae
FAMILY	Ctenidae	GENUS	Cupiennius	SPECIES	Cupiennius salei
DATE	2002
TITLE PAPER	Cupiennin 1, a New Family of Highly Basic Antimicrobial Peptides in the Venom of the Spider Cupiennius salei (Ctenidae)