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ID	2342	NAME	Phlebotomus defensin   Blast NCBI-PROT
LENGTH	40	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\ATCDLLSAFGVGHAACAAHCIGHGYRGGYCNSKAVCTCRR.pdb REMARK YASARA Written on: Wed May 14 19:21:00 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 547 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN, MUTANT DEF-ABB; SEQRES 1 A 40 ALA THR CYS ASP LEU LEU SER ALA PHE GLY VAL GLY HIS SEQRES 2 A 40 ALA ALA CYS ALA ALA HIS CYS ILE GLY HIS GLY TYR ARG SEQRES 3 A 40 GLY GLY TYR CYS ASN SER LYS ALA VAL CYS THR CYS ARG SEQRES 4 A 40 ARG 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 3 CYS A 30 2.02 SSBOND 3 CYS A 16 CYS A 36 2.03 SSBOND 5 CYS A 20 CYS A 38 2.02 ATOM 1 N ALA A 1 -5.619 -12.742 38.603 1.00-27.50 N ATOM 2 1H ALA A 1 -5.855 -12.340 37.709 1.00-27.50 H ATOM 3 2H ALA A 1 -4.804 -12.274 38.979 1.00-27.50 H ATOM 4 3H ALA A 1 -6.390 -12.604 39.244 1.00-27.50 H ATOM 5 CA ALA A 1 -5.332 -14.200 38.457 1.00-27.50 C ATOM 6 HA ALA A 1 -6.217 -14.681 38.043 1.00-27.50 H ATOM 7 C ALA A 1 -5.072 -14.793 39.836 1.00-27.50 C ATOM 8 O ALA A 1 -5.664 -14.321 40.789 1.00-27.50 O ATOM 9 CB ALA A 1 -4.132 -14.431 37.489 1.00-27.50 C ATOM 10 1HB ALA A 1 -4.327 -13.932 36.538 1.00-27.50 H ATOM 11 2HB ALA A 1 -4.001 -15.496 37.296 1.00-27.50 H ATOM 12 3HB ALA A 1 -3.215 -14.021 37.920 1.00-27.50 H ATOM 13 N THR A 2 -4.197 -15.785 39.975 1.00 25.98 N ATOM 14 H THR A 2 -3.732 -16.195 39.180 1.00 25.98 H ATOM 15 CA THR A 2 -3.825 -16.287 41.302 1.00 25.98 C ATOM 16 HA THR A 2 -4.716 -16.484 41.900 1.00 25.98 H ATOM 17 C THR A 2 -3.000 -15.219 42.011 1.00 25.98 C ATOM 18 O THR A 2 -3.083 -15.048 43.215 1.00 25.98 O ATOM 19 CB THR A 2 -2.986 -17.566 41.171 1.00 25.98 C ATOM 20 HB THR A 2 -2.534 -17.817 42.129 1.00 25.98 H ATOM 21 OG1 THR A 2 -1.979 -17.344 40.178 1.00 25.98 O ATOM 22 HG1 THR A 2 -1.406 -18.118 40.163 1.00 25.98 H ATOM 23 CG2 THR A 2 -3.824 -18.731 40.679 1.00 25.98 C ATOM 24 1HG2 THR A 2 -3.207 -19.630 40.648 1.00 25.98 H ATOM 25 2HG2 THR A 2 -4.213 -18.534 39.681 1.00 25.98 H ATOM 26 3HG2 THR A 2 -4.653 -18.905 41.366 1.00 25.98 H ATOM 27 N CYS A 3 -2.271 -14.443 41.227 1.00 24.97 N ATOM 28 H CYS A 3 -2.135 -14.702 40.268 1.00 24.97 H ATOM 29 CA CYS A 3 -1.728 -13.171 41.669 1.00 24.97 C ATOM 30 HA CYS A 3 -1.696 -13.118 42.758 1.00 24.97 H ATOM 31 C CYS A 3 -2.662 -12.110 41.108 1.00 24.97 C ATOM 32 O CYS A 3 -2.999 -12.171 39.919 1.00 24.97 O ATOM 33 CB CYS A 3 -0.325 -12.995 41.100 1.00 24.97 C ATOM 34 1HB CYS A 3 -0.375 -12.969 40.012 1.00 24.97 H ATOM 35 2HB CYS A 3 0.086 -12.050 41.454 1.00 24.97 H ATOM 36 SG CYS A 3 0.761 -14.358 41.608 1.00 24.97 S ATOM 37 N ASP A 4 -3.107 -11.173 41.931 1.00 26.06 N ATOM 38 H ASP A 4 -2.831 -11.166 42.904 1.00 26.06 H ATOM 39 CA ASP A 4 -3.998 -10.104 41.489 1.00 26.06 C ATOM 40 HA ASP A 4 -3.699 -9.757 40.499 1.00 26.06 H ATOM 41 C ASP A 4 -3.902 -8.972 42.502 1.00 26.06 C ATOM 42 O ASP A 4 -3.740 -9.256 43.682 1.00 26.06 O ATOM 43 CB ASP A 4 -5.444 -10.605 41.451 1.00 26.06 C ATOM 44 1HB ASP A 4 -5.441 -11.646 41.136 1.00 26.06 H ATOM 45 2HB ASP A 4 -5.877 -10.550 42.449 1.00 26.06 H ATOM 46 CG ASP A 4 -6.294 -9.820 40.482 1.00 26.06 C ATOM 47 OD1 ASP A 4 -6.938 -10.451 39.617 1.00 26.06 O ATOM 48 OD2 ASP A 4 -6.273 -8.575 40.543 1.00 26.06 O ATOM 49 N LEU A 5 -4.054 -7.724 42.082 1.00-16.01 N ATOM 50 H LEU A 5 -4.236 -7.552 41.101 1.00-16.01 H ATOM 51 CA LEU A 5 -4.063 -6.594 43.013 1.00-16.01 C ATOM 52 HA LEU A 5 -3.274 -6.724 43.748 1.00-16.01 H ATOM 53 C LEU A 5 -5.391 -6.553 43.756 1.00-16.01 C ATOM 54 O LEU A 5 -5.483 -6.029 44.864 1.00-16.01 O ATOM 55 CB LEU A 5 -3.850 -5.268 42.277 1.00-16.01 C ATOM 56 1HB LEU A 5 -4.647 -5.161 41.541 1.00-16.01 H ATOM 57 2HB LEU A 5 -3.963 -4.466 43.006 1.00-16.01 H ATOM 58 CG LEU A 5 -2.503 -5.062 41.563 1.00-16.01 C ATOM 59 HG LEU A 5 -2.364 -5.867 40.842 1.00-16.01 H ATOM 60 CD1 LEU A 5 -2.530 -3.739 40.801 1.00-16.01 C ATOM 61 1HD1 LEU A 5 -1.595 -3.611 40.254 1.00-16.01 H ATOM 62 2HD1 LEU A 5 -2.659 -2.905 41.493 1.00-16.01 H ATOM 63 3HD1 LEU A 5 -3.352 -3.742 40.083 1.00-16.01 H ATOM 64 CD2 LEU A 5 -1.313 -5.069 42.528 1.00-16.01 C ATOM 65 1HD2 LEU A 5 -0.392 -4.870 41.980 1.00-16.01 H ATOM 66 2HD2 LEU A 5 -1.228 -6.048 42.999 1.00-16.01 H ATOM 67 3HD2 LEU A 5 -1.447 -4.309 43.299 1.00-16.01 H ATOM 68 N LEU A 6 -6.415 -7.165 43.175 1.00-10.43 N ATOM 69 H LEU A 6 -6.302 -7.567 42.243 1.00-10.43 H ATOM 70 CA LEU A 6 -7.709 -7.300 43.844 1.00-10.43 C ATOM 71 HA LEU A 6 -8.046 -6.323 44.190 1.00-10.43 H ATOM 72 C LEU A 6 -7.580 -8.214 45.058 1.00-10.43 C ATOM 73 O LEU A 6 -8.352 -8.121 46.012 1.00-10.43 O ATOM 74 CB LEU A 6 -8.744 -7.889 42.880 1.00-10.43 C ATOM 75 1HB LEU A 6 -8.360 -8.846 42.528 1.00-10.43 H ATOM 76 2HB LEU A 6 -9.655 -8.088 43.445 1.00-10.43 H ATOM 77 CG LEU A 6 -9.130 -7.049 41.651 1.00-10.43 C ATOM 78 HG LEU A 6 -8.223 -6.753 41.126 1.00-10.43 H ATOM 79 CD1 LEU A 6 -9.974 -7.892 40.700 1.00-10.43 C ATOM 80 1HD1 LEU A 6 -10.236 -7.304 39.822 1.00-10.43 H ATOM 81 2HD1 LEU A 6 -10.883 -8.233 41.196 1.00-10.43 H ATOM 82 3HD1 LEU A 6 -9.391 -8.755 40.369 1.00-10.43 H ATOM 83 CD2 LEU A 6 -9.896 -5.779 42.035 1.00-10.43 C ATOM 84 1HD2 LEU A 6 -10.169 -5.231 41.133 1.00-10.43 H ATOM 85 2HD2 LEU A 6 -9.266 -5.139 42.650 1.00-10.43 H ATOM 86 3HD2 LEU A 6 -10.800 -6.038 42.588 1.00-10.43 H ATOM 87 N SER A 7 -6.570 -9.071 45.052 1.00 40.75 N ATOM 88 H SER A 7 -5.918 -9.069 44.279 1.00 40.75 H ATOM 89 CA SER A 7 -6.301 -9.955 46.180 1.00 40.75 C ATOM 90 HA SER A 7 -7.247 -10.223 46.650 1.00 40.75 H ATOM 91 C SER A 7 -5.449 -9.225 47.218 1.00 40.75 C ATOM 92 O SER A 7 -4.252 -9.479 47.376 1.00 40.75 O ATOM 93 CB SER A 7 -5.629 -11.237 45.705 1.00 40.75 C ATOM 94 1HB SER A 7 -4.715 -10.987 45.176 1.00 40.75 H ATOM 95 2HB SER A 7 -5.390 -11.862 46.566 1.00 40.75 H ATOM 96 OG SER A 7 -6.490 -11.947 44.833 1.00 40.75 O ATOM 97 HG SER A 7 -6.803 -11.347 44.151 1.00 40.75 H ATOM 98 N ALA A 8 -6.119 -8.314 47.913 1.00 32.95 N ATOM 99 H ALA A 8 -7.084 -8.144 47.637 1.00 32.95 H ATOM 100 CA ALA A 8 -5.586 -7.529 49.029 1.00 32.95 C ATOM 101 HA ALA A 8 -6.391 -6.861 49.338 1.00 32.95 H ATOM 102 C ALA A 8 -4.394 -6.611 48.713 1.00 32.95 C ATOM 103 O ALA A 8 -3.452 -6.521 49.497 1.00 32.95 O ATOM 104 CB ALA A 8 -5.294 -8.447 50.238 1.00 32.95 C ATOM 105 1HB ALA A 8 -6.169 -9.055 50.463 1.00 32.95 H ATOM 106 2HB ALA A 8 -5.049 -7.836 51.108 1.00 32.95 H ATOM 107 3HB ALA A 8 -4.445 -9.094 50.012 1.00 32.95 H ATOM 108 N PHE A 9 -4.484 -5.895 47.597 1.00-14.88 N ATOM 109 H PHE A 9 -5.146 -6.175 46.879 1.00-14.88 H ATOM 110 CA PHE A 9 -3.736 -4.651 47.354 1.00-14.88 C ATOM 111 HA PHE A 9 -4.040 -4.288 46.373 1.00-14.88 H ATOM 112 C PHE A 9 -2.218 -4.818 47.317 1.00-14.88 C ATOM 113 O PHE A 9 -1.447 -3.924 47.652 1.00-14.88 O ATOM 114 CB PHE A 9 -4.151 -3.580 48.371 1.00-14.88 C ATOM 115 1HB PHE A 9 -3.709 -3.819 49.339 1.00-14.88 H ATOM 116 2HB PHE A 9 -3.760 -2.616 48.046 1.00-14.88 H ATOM 117 CG PHE A 9 -5.643 -3.468 48.541 1.00-14.88 C ATOM 118 CD1 PHE A 9 -6.256 -3.895 49.734 1.00-14.88 C ATOM 119 HD1 PHE A 9 -5.648 -4.282 50.541 1.00-14.88 H ATOM 120 CD2 PHE A 9 -6.445 -2.966 47.501 1.00-14.88 C ATOM 121 HD2 PHE A 9 -5.986 -2.629 46.582 1.00-14.88 H ATOM 122 CE1 PHE A 9 -7.664 -3.842 49.886 1.00-14.88 C ATOM 123 HE1 PHE A 9 -8.122 -4.176 50.806 1.00-14.88 H ATOM 124 CE2 PHE A 9 -7.855 -2.905 47.637 1.00-14.88 C ATOM 125 HE2 PHE A 9 -8.461 -2.528 46.826 1.00-14.88 H ATOM 126 CZ PHE A 9 -8.466 -3.351 48.831 1.00-14.88 C ATOM 127 HZ PHE A 9 -9.541 -3.311 48.939 1.00-14.88 H ATOM 128 N GLY A 10 -1.799 -5.991 46.877 1.00 25.49 N ATOM 129 H GLY A 10 -2.478 -6.677 46.566 1.00 25.49 H ATOM 130 CA GLY A 10 -0.396 -6.336 46.763 1.00 25.49 C ATOM 131 1HA GLY A 10 0.195 -5.479 46.438 1.00 25.49 H ATOM 132 2HA GLY A 10 -0.021 -6.747 47.700 1.00 25.49 H ATOM 133 C GLY A 10 -0.444 -7.389 45.686 1.00 25.49 C ATOM 134 O GLY A 10 -1.519 -7.578 45.139 1.00 25.49 O ATOM 135 N VAL A 11 0.640 -8.087 45.384 1.00 18.86 N ATOM 136 H VAL A 11 1.499 -7.904 45.877 1.00 18.86 H ATOM 137 CA VAL A 11 0.665 -9.083 44.299 1.00 18.86 C ATOM 138 HA VAL A 11 0.257 -8.586 43.418 1.00 18.86 H ATOM 139 C VAL A 11 -0.178 -10.361 44.498 1.00 18.86 C ATOM 140 O VAL A 11 0.060 -11.376 43.861 1.00 18.86 O ATOM 141 CB VAL A 11 2.132 -9.506 43.943 1.00 18.86 C ATOM 142 HB VAL A 11 2.326 -10.499 44.340 1.00 18.86 H ATOM 143 CG1 VAL A 11 2.312 -9.532 42.418 1.00 18.86 C ATOM 144 1HG1 VAL A 11 3.303 -9.905 42.175 1.00 18.86 H ATOM 145 2HG1 VAL A 11 2.189 -8.533 41.998 1.00 18.86 H ATOM 146 3HG1 VAL A 11 1.580 -10.206 41.972 1.00 18.86 H ATOM 147 CG2 VAL A 11 3.188 -8.558 44.561 1.00 18.86 C ATOM 148 1HG2 VAL A 11 4.178 -8.866 44.222 1.00 18.86 H ATOM 149 2HG2 VAL A 11 3.182 -8.638 45.648 1.00 18.86 H ATOM 150 3HG2 VAL A 11 3.016 -7.527 44.244 1.00 18.86 H ATOM 151 N GLY A 12 -1.164 -10.356 45.381 1.00 29.28 N ATOM 152 H GLY A 12 -1.397 -9.497 45.867 1.00 29.28 H ATOM 153 CA GLY A 12 -2.020 -11.517 45.553 1.00 29.28 C ATOM 154 1HA GLY A 12 -2.845 -11.237 46.202 1.00 29.28 H ATOM 155 2HA GLY A 12 -2.431 -11.786 44.582 1.00 29.28 H ATOM 156 C GLY A 12 -1.372 -12.756 46.124 1.00 29.28 C ATOM 157 O GLY A 12 -1.831 -13.863 45.868 1.00 29.28 O ATOM 158 N HIS A 13 -0.320 -12.590 46.915 1.00 26.56 N ATOM 159 H HIS A 13 -0.002 -11.658 47.121 1.00 26.56 H ATOM 160 CA HIS A 13 0.412 -13.737 47.451 1.00 26.56 C ATOM 161 HA HIS A 13 0.815 -14.296 46.606 1.00 26.56 H ATOM 162 C HIS A 13 -0.495 -14.697 48.225 1.00 26.56 C ATOM 163 O HIS A 13 -0.322 -15.907 48.135 1.00 26.56 O ATOM 164 CB HIS A 13 1.598 -13.262 48.308 1.00 26.56 C ATOM 165 1HB HIS A 13 2.506 -13.695 47.908 1.00 26.56 H ATOM 166 2HB HIS A 13 1.684 -12.178 48.226 1.00 26.56 H ATOM 167 CG HIS A 13 1.502 -13.630 49.758 1.00 26.56 C ATOM 168 ND1 HIS A 13 1.763 -14.883 50.275 1.00 26.56 N ATOM 169 HD1 HIS A 13 2.037 -15.720 49.761 1.00 26.56 H ATOM 170 CD2 HIS A 13 1.162 -12.874 50.834 1.00 26.56 C ATOM 171 HD2 HIS A 13 0.903 -11.826 50.797 1.00 26.56 H ATOM 172 CE1 HIS A 13 1.560 -14.838 51.591 1.00 26.56 C ATOM 173 HE1 HIS A 13 1.681 -15.683 52.257 1.00 26.56 H ATOM 174 NE2 HIS A 13 1.186 -13.636 51.978 1.00 26.56 N ATOM 175 N ALA A 14 -1.492 -14.177 48.931 1.00 -0.25 N ATOM 176 H ALA A 14 -1.609 -13.180 48.966 1.00 -0.25 H ATOM 177 CA ALA A 14 -2.409 -15.023 49.686 1.00 -0.25 C ATOM 178 HA ALA A 14 -1.816 -15.715 50.286 1.00 -0.25 H ATOM 179 C ALA A 14 -3.325 -15.861 48.783 1.00 -0.25 C ATOM 180 O ALA A 14 -3.628 -17.004 49.104 1.00 -0.25 O ATOM 181 CB ALA A 14 -3.240 -14.149 50.634 1.00 -0.25 C ATOM 182 1HB ALA A 14 -2.579 -13.609 51.313 1.00 -0.25 H ATOM 183 2HB ALA A 14 -3.902 -14.787 51.223 1.00 -0.25 H ATOM 184 3HB ALA A 14 -3.844 -13.440 50.067 1.00 -0.25 H ATOM 185 N ALA A 15 -3.758 -15.314 47.655 1.00-10.00 N ATOM 186 H ALA A 15 -3.470 -14.384 47.398 1.00-10.00 H ATOM 187 CA ALA A 15 -4.633 -16.054 46.748 1.00-10.00 C ATOM 188 HA ALA A 15 -5.405 -16.560 47.330 1.00-10.00 H ATOM 189 C ALA A 15 -3.810 -17.114 46.012 1.00-10.00 C ATOM 190 O ALA A 15 -4.259 -18.240 45.812 1.00-10.00 O ATOM 191 CB ALA A 15 -5.306 -15.092 45.765 1.00-10.00 C ATOM 192 1HB ALA A 15 -5.966 -14.412 46.304 1.00-10.00 H ATOM 193 2HB ALA A 15 -5.896 -15.659 45.044 1.00-10.00 H ATOM 194 3HB ALA A 15 -4.555 -14.513 45.226 1.00-10.00 H ATOM 195 N CYS A 16 -2.578 -16.761 45.678 1.00 -0.17 N ATOM 196 H CYS A 16 -2.290 -15.796 45.816 1.00 -0.17 H ATOM 197 CA CYS A 16 -1.625 -17.700 45.093 1.00 -0.17 C ATOM 198 HA CYS A 16 -2.043 -18.126 44.183 1.00 -0.17 H ATOM 199 C CYS A 16 -1.363 -18.846 46.074 1.00 -0.17 C ATOM 200 O CYS A 16 -1.419 -20.020 45.702 1.00 -0.17 O ATOM 201 CB CYS A 16 -0.336 -16.937 44.758 1.00 -0.17 C ATOM 202 1HB CYS A 16 -0.519 -16.301 43.892 1.00 -0.17 H ATOM 203 2HB CYS A 16 -0.105 -16.288 45.600 1.00 -0.17 H ATOM 204 SG CYS A 16 1.137 -17.964 44.452 1.00 -0.17 S ATOM 205 N ALA A 17 -1.151 -18.517 47.341 1.00 -4.18 N ATOM 206 H ALA A 17 -1.104 -17.536 47.606 1.00 -4.18 H ATOM 207 CA ALA A 17 -0.953 -19.529 48.369 1.00 -4.18 C ATOM 208 HA ALA A 17 -0.110 -20.153 48.070 1.00 -4.18 H ATOM 209 C ALA A 17 -2.177 -20.433 48.505 1.00 -4.18 C ATOM 210 O ALA A 17 -2.034 -21.645 48.535 1.00 -4.18 O ATOM 211 CB ALA A 17 -0.634 -18.858 49.714 1.00 -4.18 C ATOM 212 1HB ALA A 17 0.250 -18.229 49.614 1.00 -4.18 H ATOM 213 2HB ALA A 17 -0.457 -19.622 50.471 1.00 -4.18 H ATOM 214 3HB ALA A 17 -1.474 -18.240 50.031 1.00 -4.18 H ATOM 215 N ALA A 18 -3.369 -19.855 48.571 1.00-14.42 N ATOM 216 H ALA A 18 -3.436 -18.840 48.542 1.00-14.42 H ATOM 217 CA ALA A 18 -4.594 -20.634 48.737 1.00-14.42 C ATOM 218 HA ALA A 18 -4.496 -21.247 49.632 1.00-14.42 H ATOM 219 C ALA A 18 -4.826 -21.571 47.550 1.00-14.42 C ATOM 220 O ALA A 18 -5.225 -22.722 47.722 1.00-14.42 O ATOM 221 CB ALA A 18 -5.784 -19.683 48.915 1.00-14.42 C ATOM 222 1HB ALA A 18 -5.617 -19.044 49.783 1.00-14.42 H ATOM 223 2HB ALA A 18 -6.693 -20.266 49.070 1.00-14.42 H ATOM 224 3HB ALA A 18 -5.903 -19.061 48.027 1.00-14.42 H ATOM 225 N HIS A 19 -4.545 -21.086 46.350 1.00 -5.48 N ATOM 226 H HIS A 19 -4.242 -20.119 46.256 1.00 -5.48 H ATOM 227 CA HIS A 19 -4.677 -21.902 45.150 1.00 -5.48 C ATOM 228 HA HIS A 19 -5.700 -22.271 45.082 1.00 -5.48 H ATOM 229 C HIS A 19 -3.741 -23.103 45.229 1.00 -5.48 C ATOM 230 O HIS A 19 -4.140 -24.230 44.967 1.00 -5.48 O ATOM 231 CB HIS A 19 -4.362 -21.055 43.916 1.00 -5.48 C ATOM 232 1HB HIS A 19 -5.008 -20.179 43.925 1.00 -5.48 H ATOM 233 2HB HIS A 19 -3.328 -20.717 43.966 1.00 -5.48 H ATOM 234 CG HIS A 19 -4.564 -21.778 42.622 1.00 -5.48 C ATOM 235 ND1 HIS A 19 -5.788 -21.965 42.024 1.00 -5.48 N ATOM 236 HD1 HIS A 19 -6.680 -21.669 42.392 1.00 -5.48 H ATOM 237 CD2 HIS A 19 -3.669 -22.365 41.785 1.00 -5.48 C ATOM 238 HD2 HIS A 19 -2.602 -22.411 41.956 1.00 -5.48 H ATOM 239 CE1 HIS A 19 -5.594 -22.617 40.876 1.00 -5.48 C ATOM 240 HE1 HIS A 19 -6.383 -22.899 40.191 1.00 -5.48 H ATOM 241 NE2 HIS A 19 -4.317 -22.880 40.684 1.00 -5.48 N ATOM 242 N CYS A 20 -2.504 -22.883 45.647 1.00 9.68 N ATOM 243 H CYS A 20 -2.196 -21.934 45.849 1.00 9.68 H ATOM 244 CA CYS A 20 -1.561 -23.982 45.809 1.00 9.68 C ATOM 245 HA CYS A 20 -1.612 -24.608 44.919 1.00 9.68 H ATOM 246 C CYS A 20 -1.840 -24.897 47.003 1.00 9.68 C ATOM 247 O CYS A 20 -1.507 -26.075 46.948 1.00 9.68 O ATOM 248 CB CYS A 20 -0.151 -23.416 45.886 1.00 9.68 C ATOM 249 1HB CYS A 20 -0.114 -22.632 46.643 1.00 9.68 H ATOM 250 2HB CYS A 20 0.534 -24.210 46.163 1.00 9.68 H ATOM 251 SG CYS A 20 0.369 -22.761 44.272 1.00 9.68 S ATOM 252 N ILE A 21 -2.513 -24.429 48.042 1.00 -4.22 N ATOM 253 H ILE A 21 -2.718 -23.434 48.106 1.00 -4.22 H ATOM 254 CA ILE A 21 -2.975 -25.319 49.115 1.00 -4.22 C ATOM 255 HA ILE A 21 -2.141 -25.921 49.465 1.00 -4.22 H ATOM 256 C ILE A 21 -3.997 -26.287 48.512 1.00 -4.22 C ATOM 257 O ILE A 21 -3.986 -27.479 48.818 1.00 -4.22 O ATOM 258 CB ILE A 21 -3.528 -24.517 50.334 1.00 -4.22 C ATOM 259 HB ILE A 21 -4.242 -23.780 49.971 1.00 -4.22 H ATOM 260 CG1 ILE A 21 -2.358 -23.796 51.038 1.00 -4.22 C ATOM 261 1HG1 ILE A 21 -1.787 -24.536 51.597 1.00 -4.22 H ATOM 262 2HG1 ILE A 21 -1.693 -23.382 50.287 1.00 -4.22 H ATOM 263 CG2 ILE A 21 -4.245 -25.440 51.355 1.00 -4.22 C ATOM 264 1HG2 ILE A 21 -4.606 -24.861 52.203 1.00 -4.22 H ATOM 265 2HG2 ILE A 21 -3.555 -26.210 51.710 1.00 -4.22 H ATOM 266 3HG2 ILE A 21 -5.103 -25.923 50.885 1.00 -4.22 H ATOM 267 CD1 ILE A 21 -2.742 -22.660 51.993 1.00 -4.22 C ATOM 268 1HD1 ILE A 21 -1.833 -22.212 52.395 1.00 -4.22 H ATOM 269 2HD1 ILE A 21 -3.338 -23.045 52.820 1.00 -4.22 H ATOM 270 3HD1 ILE A 21 -3.308 -21.899 51.457 1.00 -4.22 H ATOM 271 N GLY A 22 -4.778 -25.828 47.542 1.00 -2.85 N ATOM 272 H GLY A 22 -4.752 -24.842 47.296 1.00 -2.85 H ATOM 273 CA GLY A 22 -5.659 -26.716 46.794 1.00 -2.85 C ATOM 274 1HA GLY A 22 -6.304 -27.239 47.499 1.00 -2.85 H ATOM 275 2HA GLY A 22 -6.287 -26.111 46.141 1.00 -2.85 H ATOM 276 C GLY A 22 -4.959 -27.765 45.941 1.00 -2.85 C ATOM 277 O GLY A 22 -5.575 -28.739 45.525 1.00 -2.85 O ATOM 278 N HIS A 23 -3.660 -27.606 45.725 1.00-13.55 N ATOM 279 H HIS A 23 -3.204 -26.785 46.101 1.00-13.55 H ATOM 280 CA HIS A 23 -2.831 -28.575 44.998 1.00-13.55 C ATOM 281 HA HIS A 23 -3.472 -29.302 44.495 1.00-13.55 H ATOM 282 C HIS A 23 -1.906 -29.333 45.954 1.00-13.55 C ATOM 283 O HIS A 23 -1.011 -30.063 45.515 1.00-13.55 O ATOM 284 CB HIS A 23 -1.977 -27.864 43.945 1.00-13.55 C ATOM 285 1HB HIS A 23 -1.398 -27.082 44.430 1.00-13.55 H ATOM 286 2HB HIS A 23 -1.289 -28.582 43.502 1.00-13.55 H ATOM 287 CG HIS A 23 -2.765 -27.253 42.831 1.00-13.55 C ATOM 288 ND1 HIS A 23 -3.243 -27.991 41.769 1.00-13.55 N ATOM 289 CD2 HIS A 23 -3.118 -25.958 42.612 1.00-13.55 C ATOM 290 HD2 HIS A 23 -2.887 -25.141 43.280 1.00-13.55 H ATOM 291 CE1 HIS A 23 -3.878 -27.096 40.954 1.00-13.55 C ATOM 292 HE1 HIS A 23 -4.370 -27.366 40.030 1.00-13.55 H ATOM 293 NE2 HIS A 23 -3.807 -25.832 41.437 1.00-13.55 N ATOM 294 HE2 HIS A 23 -4.176 -24.980 41.024 1.00-13.55 H ATOM 295 N GLY A 24 -2.091 -29.158 47.257 1.00 1.71 N ATOM 296 H GLY A 24 -2.832 -28.544 47.588 1.00 1.71 H ATOM 297 CA GLY A 24 -1.285 -29.865 48.243 1.00 1.71 C ATOM 298 1HA GLY A 24 -1.865 -29.932 49.164 1.00 1.71 H ATOM 299 2HA GLY A 24 -1.113 -30.881 47.889 1.00 1.71 H ATOM 300 C GLY A 24 0.063 -29.259 48.597 1.00 1.71 C ATOM 301 O GLY A 24 0.997 -29.981 48.953 1.00 1.71 O ATOM 302 N TYR A 25 0.202 -27.950 48.475 1.00 8.74 N ATOM 303 H TYR A 25 -0.581 -27.390 48.150 1.00 8.74 H ATOM 304 CA TYR A 25 1.420 -27.243 48.880 1.00 8.74 C ATOM 305 HA TYR A 25 2.275 -27.913 48.949 1.00 8.74 H ATOM 306 C TYR A 25 1.120 -26.631 50.246 1.00 8.74 C ATOM 307 O TYR A 25 -0.030 -26.316 50.523 1.00 8.74 O ATOM 308 CB TYR A 25 1.714 -26.084 47.922 1.00 8.74 C ATOM 309 1HB TYR A 25 0.813 -25.486 47.844 1.00 8.74 H ATOM 310 2HB TYR A 25 2.470 -25.452 48.369 1.00 8.74 H ATOM 311 CG TYR A 25 2.183 -26.446 46.523 1.00 8.74 C ATOM 312 CD1 TYR A 25 1.301 -26.994 45.570 1.00 8.74 C ATOM 313 HD1 TYR A 25 0.289 -27.231 45.853 1.00 8.74 H ATOM 314 CD2 TYR A 25 3.505 -26.173 46.122 1.00 8.74 C ATOM 315 HD2 TYR A 25 4.195 -25.743 46.824 1.00 8.74 H ATOM 316 CE1 TYR A 25 1.718 -27.227 44.235 1.00 8.74 C ATOM 317 HE1 TYR A 25 1.021 -27.624 43.512 1.00 8.74 H ATOM 318 CE2 TYR A 25 3.936 -26.428 44.794 1.00 8.74 C ATOM 319 HE2 TYR A 25 4.951 -26.209 44.496 1.00 8.74 H ATOM 320 CZ TYR A 25 3.034 -26.948 43.864 1.00 8.74 C ATOM 321 OH TYR A 25 3.447 -27.194 42.580 1.00 8.74 O ATOM 322 HH TYR A 25 2.720 -27.410 41.992 1.00 8.74 H ATOM 323 N ARG A 26 2.129 -26.369 51.067 1.00-15.37 N ATOM 324 H ARG A 26 3.069 -26.704 50.840 1.00-15.37 H ATOM 325 CA ARG A 26 1.929 -25.599 52.304 1.00-15.37 C ATOM 326 HA ARG A 26 1.117 -26.045 52.879 1.00-15.37 H ATOM 327 C ARG A 26 1.537 -24.147 52.050 1.00-15.37 C ATOM 328 O ARG A 26 0.998 -23.490 52.934 1.00-15.37 O ATOM 329 CB ARG A 26 3.208 -25.619 53.143 1.00-15.37 C ATOM 330 1HB ARG A 26 4.049 -25.385 52.490 1.00-15.37 H ATOM 331 2HB ARG A 26 3.141 -24.846 53.909 1.00-15.37 H ATOM 332 CG ARG A 26 3.462 -26.948 53.837 1.00-15.37 C ATOM 333 1HG ARG A 26 2.747 -27.074 54.650 1.00-15.37 H ATOM 334 2HG ARG A 26 3.330 -27.762 53.130 1.00-15.37 H ATOM 335 CD ARG A 26 4.879 -26.992 54.386 1.00-15.37 C ATOM 336 1HD ARG A 26 5.583 -26.815 53.571 1.00-15.37 H ATOM 337 2HD ARG A 26 4.993 -26.197 55.123 1.00-15.37 H ATOM 338 NE ARG A 26 5.178 -28.286 55.019 1.00-15.37 N ATOM 339 HE ARG A 26 4.985 -28.350 56.002 1.00-15.37 H ATOM 340 CZ ARG A 26 5.682 -29.357 54.418 1.00-15.37 C ATOM 341 NH1 ARG A 26 5.906 -30.423 55.136 1.00-15.37 N ATOM 342 1HH1 ARG A 26 5.694 -30.425 56.118 1.00-15.37 H ATOM 343 2HH1 ARG A 26 6.287 -31.246 54.699 1.00-15.37 H ATOM 344 NH2 ARG A 26 5.985 -29.423 53.150 1.00-15.37 N ATOM 345 1HH2 ARG A 26 5.796 -28.621 52.538 1.00-15.37 H ATOM 346 2HH2 ARG A 26 6.387 -30.249 52.752 1.00-15.37 H ATOM 347 N GLY A 27 1.807 -23.633 50.860 1.00 11.02 N ATOM 348 H GLY A 27 2.292 -24.187 50.168 1.00 11.02 H ATOM 349 CA GLY A 27 1.402 -22.280 50.522 1.00 11.02 C ATOM 350 1HA GLY A 27 0.375 -22.295 50.156 1.00 11.02 H ATOM 351 2HA GLY A 27 1.447 -21.651 51.410 1.00 11.02 H ATOM 352 C GLY A 27 2.287 -21.687 49.453 1.00 11.02 C ATOM 353 O GLY A 27 2.828 -22.411 48.620 1.00 11.02 O ATOM 354 N GLY A 28 2.458 -20.374 49.457 1.00 17.81 N ATOM 355 H GLY A 28 2.020 -19.792 50.159 1.00 17.81 H ATOM 356 CA GLY A 28 3.267 -19.727 48.443 1.00 17.81 C ATOM 357 1HA GLY A 28 4.279 -20.130 48.482 1.00 17.81 H ATOM 358 2HA GLY A 28 2.844 -19.944 47.462 1.00 17.81 H ATOM 359 C GLY A 28 3.339 -18.227 48.606 1.00 17.81 C ATOM 360 O GLY A 28 2.810 -17.667 49.569 1.00 17.81 O ATOM 361 N TYR A 29 3.989 -17.579 47.657 1.00 0.23 N ATOM 362 H TYR A 29 4.385 -18.094 46.867 1.00 0.23 H ATOM 363 CA TYR A 29 4.134 -16.133 47.634 1.00 0.23 C ATOM 364 HA TYR A 29 3.319 -15.665 48.176 1.00 0.23 H ATOM 365 C TYR A 29 4.037 -15.802 46.154 1.00 0.23 C ATOM 366 O TYR A 29 4.043 -16.721 45.348 1.00 0.23 O ATOM 367 CB TYR A 29 5.476 -15.709 48.237 1.00 0.23 C ATOM 368 1HB TYR A 29 5.662 -16.315 49.124 1.00 0.23 H ATOM 369 2HB TYR A 29 6.272 -15.896 47.515 1.00 0.23 H ATOM 370 CG TYR A 29 5.492 -14.253 48.653 1.00 0.23 C ATOM 371 CD1 TYR A 29 4.969 -13.863 49.902 1.00 0.23 C ATOM 372 HD1 TYR A 29 4.602 -14.611 50.592 1.00 0.23 H ATOM 373 CD2 TYR A 29 5.995 -13.254 47.795 1.00 0.23 C ATOM 374 HD2 TYR A 29 6.438 -13.525 46.846 1.00 0.23 H ATOM 375 CE1 TYR A 29 4.902 -12.492 50.269 1.00 0.23 C ATOM 376 HE1 TYR A 29 4.488 -12.209 51.225 1.00 0.23 H ATOM 377 CE2 TYR A 29 5.914 -11.883 48.151 1.00 0.23 C ATOM 378 HE2 TYR A 29 6.279 -11.122 47.476 1.00 0.23 H ATOM 379 CZ TYR A 29 5.363 -11.516 49.381 1.00 0.23 C ATOM 380 OH TYR A 29 5.276 -10.190 49.716 1.00 0.23 O ATOM 381 HH TYR A 29 4.922 -10.056 50.597 1.00 0.23 H ATOM 382 N CYS A 30 3.959 -14.540 45.766 1.00 30.86 N ATOM 383 H CYS A 30 4.001 -13.788 46.441 1.00 30.86 H ATOM 384 CA CYS A 30 3.925 -14.188 44.354 1.00 30.86 C ATOM 385 HA CYS A 30 4.136 -15.066 43.748 1.00 30.86 H ATOM 386 C CYS A 30 5.020 -13.168 44.079 1.00 30.86 C ATOM 387 O CYS A 30 5.162 -12.179 44.798 1.00 30.86 O ATOM 388 CB CYS A 30 2.555 -13.653 43.947 1.00 30.86 C ATOM 389 1HB CYS A 30 1.790 -14.369 44.247 1.00 30.86 H ATOM 390 2HB CYS A 30 2.369 -12.702 44.444 1.00 30.86 H ATOM 391 SG CYS A 30 2.473 -13.422 42.147 1.00 30.86 S ATOM 392 N ASN A 31 5.814 -13.449 43.059 1.00 -2.66 N ATOM 393 H ASN A 31 5.631 -14.292 42.516 1.00 -2.66 H ATOM 394 CA ASN A 31 6.872 -12.555 42.610 1.00 -2.66 C ATOM 395 HA ASN A 31 7.517 -12.269 43.440 1.00 -2.66 H ATOM 396 C ASN A 31 6.180 -11.329 42.027 1.00 -2.66 C ATOM 397 O ASN A 31 5.114 -11.467 41.442 1.00 -2.66 O ATOM 398 CB ASN A 31 7.680 -13.269 41.523 1.00 -2.66 C ATOM 399 1HB ASN A 31 7.993 -14.243 41.896 1.00 -2.66 H ATOM 400 2HB ASN A 31 7.041 -13.410 40.656 1.00 -2.66 H ATOM 401 CG ASN A 31 8.894 -12.494 41.093 1.00 -2.66 C ATOM 402 OD1 ASN A 31 8.803 -11.528 40.350 1.00 -2.66 O ATOM 403 ND2 ASN A 31 10.040 -12.898 41.563 1.00 -2.66 N ATOM 404 1HD2 ASN A 31 10.872 -12.394 41.309 1.00 -2.66 H ATOM 405 2HD2 ASN A 31 10.085 -13.707 42.162 1.00 -2.66 H ATOM 406 N SER A 32 6.786 -10.153 42.123 1.00 -2.54 N ATOM 407 H SER A 32 7.695 -10.088 42.552 1.00 -2.54 H ATOM 408 CA SER A 32 6.197 -8.922 41.592 1.00 -2.54 C ATOM 409 HA SER A 32 5.264 -8.722 42.117 1.00 -2.54 H ATOM 410 C SER A 32 5.864 -8.978 40.100 1.00 -2.54 C ATOM 411 O SER A 32 4.946 -8.304 39.651 1.00 -2.54 O ATOM 412 CB SER A 32 7.154 -7.764 41.855 1.00 -2.54 C ATOM 413 1HB SER A 32 6.772 -6.859 41.381 1.00 -2.54 H ATOM 414 2HB SER A 32 7.226 -7.602 42.931 1.00 -2.54 H ATOM 415 OG SER A 32 8.445 -8.072 41.354 1.00 -2.54 O ATOM 416 HG SER A 32 9.015 -7.309 41.497 1.00 -2.54 H ATOM 417 N LYS A 33 6.533 -9.840 39.344 1.00 -6.13 N ATOM 418 H LYS A 33 7.294 -10.369 39.764 1.00 -6.13 H ATOM 419 CA LYS A 33 6.199 -10.088 37.934 1.00 -6.13 C ATOM 420 HA LYS A 33 5.903 -9.141 37.478 1.00 -6.13 H ATOM 421 C LYS A 33 5.028 -11.065 37.744 1.00 -6.13 C ATOM 422 O LYS A 33 5.013 -11.817 36.778 1.00 -6.13 O ATOM 423 CB LYS A 33 7.436 -10.618 37.200 1.00 -6.13 C ATOM 424 1HB LYS A 33 7.729 -11.570 37.644 1.00 -6.13 H ATOM 425 2HB LYS A 33 7.177 -10.788 36.154 1.00 -6.13 H ATOM 426 CG LYS A 33 8.627 -9.670 37.235 1.00 -6.13 C ATOM 427 1HG LYS A 33 8.322 -8.702 36.838 1.00 -6.13 H ATOM 428 2HG LYS A 33 8.971 -9.544 38.262 1.00 -6.13 H ATOM 429 CD LYS A 33 9.768 -10.215 36.390 1.00 -6.13 C ATOM 430 1HD LYS A 33 10.054 -11.198 36.768 1.00 -6.13 H ATOM 431 2HD LYS A 33 9.428 -10.313 35.358 1.00 -6.13 H ATOM 432 CE LYS A 33 10.972 -9.280 36.438 1.00 -6.13 C ATOM 433 1HE LYS A 33 10.659 -8.286 36.109 1.00 -6.13 H ATOM 434 2HE LYS A 33 11.325 -9.209 37.470 1.00 -6.13 H ATOM 435 NZ LYS A 33 12.090 -9.768 35.555 1.00 -6.13 N ATOM 436 1HZ LYS A 33 12.873 -9.129 35.606 1.00 -6.13 H ATOM 437 2HZ LYS A 33 11.771 -9.823 34.597 1.00 -6.13 H ATOM 438 3HZ LYS A 33 12.392 -10.685 35.856 1.00 -6.13 H ATOM 439 N ALA A 34 4.096 -11.072 38.690 1.00 28.46 N ATOM 440 H ALA A 34 4.212 -10.425 39.459 1.00 28.46 H ATOM 441 CA ALA A 34 2.905 -11.932 38.727 1.00 28.46 C ATOM 442 HA ALA A 34 2.404 -11.713 39.670 1.00 28.46 H ATOM 443 C ALA A 34 3.149 -13.454 38.733 1.00 28.46 C ATOM 444 O ALA A 34 2.221 -14.242 38.526 1.00 28.46 O ATOM 445 CB ALA A 34 1.921 -11.526 37.609 1.00 28.46 C ATOM 446 1HB ALA A 34 1.737 -10.452 37.651 1.00 28.46 H ATOM 447 2HB ALA A 34 0.978 -12.057 37.739 1.00 28.46 H ATOM 448 3HB ALA A 34 2.345 -11.783 36.636 1.00 28.46 H ATOM 449 N VAL A 35 4.377 -13.881 38.990 1.00-16.25 N ATOM 450 H VAL A 35 5.098 -13.209 39.180 1.00-16.25 H ATOM 451 CA VAL A 35 4.697 -15.309 39.015 1.00-16.25 C ATOM 452 HA VAL A 35 4.085 -15.804 38.262 1.00-16.25 H ATOM 453 C VAL A 35 4.336 -15.885 40.381 1.00-16.25 C ATOM 454 O VAL A 35 5.020 -15.649 41.383 1.00-16.25 O ATOM 455 CB VAL A 35 6.190 -15.603 38.683 1.00-16.25 C ATOM 456 HB VAL A 35 6.819 -15.170 39.454 1.00-16.25 H ATOM 457 CG1 VAL A 35 6.462 -17.115 38.632 1.00-16.25 C ATOM 458 1HG1 VAL A 35 7.507 -17.295 38.380 1.00-16.25 H ATOM 459 2HG1 VAL A 35 5.827 -17.592 37.884 1.00-16.25 H ATOM 460 3HG1 VAL A 35 6.268 -17.567 39.607 1.00-16.25 H ATOM 461 CG2 VAL A 35 6.583 -14.968 37.339 1.00-16.25 C ATOM 462 1HG2 VAL A 35 7.613 -15.227 37.094 1.00-16.25 H ATOM 463 2HG2 VAL A 35 6.504 -13.884 37.396 1.00-16.25 H ATOM 464 3HG2 VAL A 35 5.924 -15.328 36.546 1.00-16.25 H ATOM 465 N CYS A 36 3.248 -16.637 40.420 1.00 -6.08 N ATOM 466 H CYS A 36 2.690 -16.723 39.586 1.00 -6.08 H ATOM 467 CA CYS A 36 2.854 -17.373 41.617 1.00 -6.08 C ATOM 468 HA CYS A 36 2.782 -16.683 42.457 1.00 -6.08 H ATOM 469 C CYS A 36 3.958 -18.396 41.901 1.00 -6.08 C ATOM 470 O CYS A 36 4.319 -19.189 41.036 1.00 -6.08 O ATOM 471 CB CYS A 36 1.490 -18.032 41.374 1.00 -6.08 C ATOM 472 1HB CYS A 36 0.783 -17.248 41.104 1.00 -6.08 H ATOM 473 2HB CYS A 36 1.591 -18.703 40.521 1.00 -6.08 H ATOM 474 SG CYS A 36 0.763 -18.996 42.743 1.00 -6.08 S ATOM 475 N THR A 37 4.538 -18.319 43.089 1.00 -0.59 N ATOM 476 H THR A 37 4.167 -17.677 43.789 1.00 -0.59 H ATOM 477 CA THR A 37 5.732 -19.074 43.462 1.00 -0.59 C ATOM 478 HA THR A 37 5.997 -19.762 42.661 1.00 -0.59 H ATOM 479 C THR A 37 5.416 -19.874 44.724 1.00 -0.59 C ATOM 480 O THR A 37 5.531 -19.391 45.857 1.00 -0.59 O ATOM 481 CB THR A 37 6.920 -18.111 43.705 1.00 -0.59 C ATOM 482 HB THR A 37 6.721 -17.502 44.587 1.00 -0.59 H ATOM 483 OG1 THR A 37 7.077 -17.251 42.572 1.00 -0.59 O ATOM 484 HG1 THR A 37 6.206 -16.914 42.317 1.00 -0.59 H ATOM 485 CG2 THR A 37 8.234 -18.854 43.881 1.00 -0.59 C ATOM 486 1HG2 THR A 37 9.037 -18.130 44.013 1.00 -0.59 H ATOM 487 2HG2 THR A 37 8.440 -19.456 42.996 1.00 -0.59 H ATOM 488 3HG2 THR A 37 8.186 -19.497 44.761 1.00 -0.59 H ATOM 489 N CYS A 38 4.921 -21.085 44.525 1.00 -0.35 N ATOM 490 H CYS A 38 4.835 -21.439 43.585 1.00 -0.35 H ATOM 491 CA CYS A 38 4.473 -21.914 45.637 1.00 -0.35 C ATOM 492 HA CYS A 38 4.121 -21.258 46.422 1.00 -0.35 H ATOM 493 C CYS A 38 5.559 -22.786 46.252 1.00 -0.35 C ATOM 494 O CYS A 38 6.542 -23.146 45.608 1.00 -0.35 O ATOM 495 CB CYS A 38 3.274 -22.737 45.190 1.00 -0.35 C ATOM 496 1HB CYS A 38 3.540 -23.361 44.337 1.00 -0.35 H ATOM 497 2HB CYS A 38 2.939 -23.367 46.015 1.00 -0.35 H ATOM 498 SG CYS A 38 1.942 -21.583 44.747 1.00 -0.35 S ATOM 499 N ARG A 39 5.374 -23.110 47.524 1.00 0.40 N ATOM 500 H ARG A 39 4.496 -22.848 47.981 1.00 0.40 H ATOM 501 CA ARG A 39 6.354 -23.851 48.316 1.00 0.40 C ATOM 502 HA ARG A 39 7.191 -24.157 47.688 1.00 0.40 H ATOM 503 C ARG A 39 5.642 -25.077 48.849 1.00 0.40 C ATOM 504 O ARG A 39 4.578 -24.951 49.450 1.00 0.40 O ATOM 505 CB ARG A 39 6.852 -22.992 49.479 1.00 0.40 C ATOM 506 1HB ARG A 39 5.992 -22.685 50.075 1.00 0.40 H ATOM 507 2HB ARG A 39 7.501 -23.607 50.103 1.00 0.40 H ATOM 508 CG ARG A 39 7.615 -21.740 49.044 1.00 0.40 C ATOM 509 1HG ARG A 39 8.508 -22.038 48.494 1.00 0.40 H ATOM 510 2HG ARG A 39 6.984 -21.138 48.390 1.00 0.40 H ATOM 511 CD ARG A 39 8.020 -20.888 50.243 1.00 0.40 C ATOM 512 1HD ARG A 39 8.465 -19.962 49.877 1.00 0.40 H ATOM 513 2HD ARG A 39 7.126 -20.645 50.820 1.00 0.40 H ATOM 514 NE ARG A 39 8.984 -21.579 51.114 1.00 0.40 N ATOM 515 HE ARG A 39 9.270 -22.500 50.820 1.00 0.40 H ATOM 516 CZ ARG A 39 9.498 -21.114 52.245 1.00 0.40 C ATOM 517 NH1 ARG A 39 10.327 -21.868 52.914 1.00 0.40 N ATOM 518 1HH1 ARG A 39 10.557 -22.790 52.579 1.00 0.40 H ATOM 519 2HH1 ARG A 39 10.736 -21.535 53.772 1.00 0.40 H ATOM 520 NH2 ARG A 39 9.221 -19.930 52.735 1.00 0.40 N ATOM 521 1HH2 ARG A 39 8.594 -19.322 52.235 1.00 0.40 H ATOM 522 2HH2 ARG A 39 9.634 -19.626 53.601 1.00 0.40 H ATOM 523 N ARG A 40 6.193 -26.248 48.569 1.00-12.18 N ATOM 524 H ARG A 40 7.074 -26.289 48.089 1.00-12.18 H ATOM 525 CA ARG A 40 5.557 -27.496 48.983 1.00-12.18 C ATOM 526 HA ARG A 40 4.512 -27.480 48.690 1.00-12.18 H ATOM 527 C ARG A 40 5.568 -27.591 50.487 1.00-12.18 C ATOM 528 O ARG A 40 6.557 -27.235 51.151 1.00-12.18 O ATOM 529 OXT ARG A 40 4.530 -28.040 50.985 1.00-12.18 O ATOM 530 CB ARG A 40 6.247 -28.724 48.380 1.00-12.18 C ATOM 531 1HB ARG A 40 7.324 -28.559 48.388 1.00-12.18 H ATOM 532 2HB ARG A 40 6.034 -29.583 49.017 1.00-12.18 H ATOM 533 CG ARG A 40 5.796 -29.070 46.963 1.00-12.18 C ATOM 534 1HG ARG A 40 5.841 -28.176 46.342 1.00-12.18 H ATOM 535 2HG ARG A 40 6.468 -29.823 46.551 1.00-12.18 H ATOM 536 CD ARG A 40 4.370 -29.627 46.961 1.00-12.18 C ATOM 537 1HD ARG A 40 4.336 -30.518 47.589 1.00-12.18 H ATOM 538 2HD ARG A 40 3.696 -28.882 47.382 1.00-12.18 H ATOM 539 NE ARG A 40 3.897 -29.966 45.612 1.00-12.18 N ATOM 540 HE ARG A 40 4.562 -29.867 44.865 1.00-12.18 H ATOM 541 CZ ARG A 40 2.668 -30.354 45.300 1.00-12.18 C ATOM 542 NH1 ARG A 40 2.363 -30.575 44.052 1.00-12.18 N ATOM 543 1HH1 ARG A 40 3.053 -30.470 43.330 1.00-12.18 H ATOM 544 2HH1 ARG A 40 1.418 -30.844 43.822 1.00-12.18 H ATOM 545 NH2 ARG A 40 1.720 -30.522 46.175 1.00-12.18 N ATOM 546 1HH2 ARG A 40 1.905 -30.415 47.169 1.00-12.18 H ATOM 547 2HH2 ARG A 40 0.766 -30.709 45.876 1.00-12.18 H TER 548 ARG A 40 CONECT 36 33 391 CONECT 204 201 474 CONECT 251 248 498 CONECT 391 36 388 CONECT 474 204 471 CONECT 498 251 495 END
SEQUENCE	ATCDLLSAFGVGHAACAAHCIGHGYRGGYCNSKAVCTCRR
HELICITY	37.50	INSTAB. INDEX	33.67	FLEXIBILITY	16.89
a HYD. MOM.	36.35	b HYD. MOM.	17.84	c HYD. MOM	4.70
a MEAN HYD. MOM.	0.91	b MEAN HYD. MOM.	0.45	c MEAN HYD. MOM.	0.12
CHARGE pH5	5.79	CHARGE pH7	3.00	CHARGE pH9	-2.32
Δ CHARGE pH5-pH9	8.12	ISOELECTRIC POINT	8.68	BOMAN INDEX	1.00
ΔG	24	CPP	-0,29	MLP	-6,85
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	1	MIC M. luteus		MIC B. subtilis
MIC C. albicans	9	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Diptera
FAMILY	Psychodidae	GENUS	Phlebotomus	SPECIES	Phlebotomus duboscqi
DATE	2003
TITLE PAPER	Characterization of a Defensin from the Sand Fly Phlebotomus duboscqi Induced by Challenge with Bacteria or the Protozoan Parasite Leishmania major