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ID	2394	NAME	Hadrurin   Blast NCBI-PROT
LENGTH	41	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\GILDTIKSIASKVWNSKTVQDLKRKGINWVANKLGVSPQAA.pdb REMARK YASARA Written on: Wed May 14 19:39:07 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 651 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 2.80 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 62.41150 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 36.03330 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 45.85900 REMARK 290 SMTRY1 5 -0.500000 -0.866025 0.000000 62.41150 REMARK 290 SMTRY2 5 0.866025 -0.500000 0.000000 36.03330 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 45.85900 REMARK 290 SMTRY1 6 -0.500000 0.866025 0.000000 62.41150 REMARK 290 SMTRY2 6 -0.866025 -0.500000 0.000000 36.03330 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 45.85900 REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 72.06659 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 91.71800 REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 72.06659 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 91.71800 REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 72.06659 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 91.71800 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; SEQRES 1 A 41 GLY ILE LEU ASP THR ILE LYS SER ILE ALA SER LYS VAL SEQRES 2 A 41 TRP ASN SER LYS THR VAL GLN ASP LEU LYS ARG LYS GLY SEQRES 3 A 41 ILE ASN TRP VAL ALA ASN LYS LEU GLY VAL SER PRO GLN SEQRES 4 A 41 ALA ALA CRYST1 124.823 124.823 137.577 90.00 90.00 120.00 H 3 36 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 0.008011 0.004625 0.000000 0.00000 SCALE2 0.000000 0.009251 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007269 0.00000 ATOM 1 N GLY A 1 63.443 95.370 40.642 1.00 -5.96 N ATOM 2 1H GLY A 1 63.231 94.544 40.102 1.00 -5.96 H ATOM 3 2H GLY A 1 64.165 95.148 41.313 1.00 -5.96 H ATOM 4 3H GLY A 1 63.767 96.107 40.032 1.00 -5.96 H ATOM 5 CA GLY A 1 62.235 95.815 41.359 1.00 -5.96 C ATOM 6 1HA GLY A 1 61.432 95.980 40.644 1.00 -5.96 H ATOM 7 2HA GLY A 1 61.937 95.042 42.066 1.00 -5.96 H ATOM 8 C GLY A 1 62.491 97.096 42.104 1.00 -5.96 C ATOM 9 O GLY A 1 62.569 98.138 41.470 1.00 -5.96 O ATOM 10 N ILE A 2 62.649 97.029 43.418 1.00-17.94 N ATOM 11 H ILE A 2 62.604 96.113 43.879 1.00-17.94 H ATOM 12 CA ILE A 2 62.958 98.199 44.239 1.00-17.94 C ATOM 13 HA ILE A 2 63.003 99.079 43.597 1.00-17.94 H ATOM 14 C ILE A 2 64.369 97.935 44.771 1.00-17.94 C ATOM 15 O ILE A 2 65.328 98.090 44.024 1.00-17.94 O ATOM 16 CB ILE A 2 61.884 98.474 45.348 1.00-17.94 C ATOM 17 HB ILE A 2 61.882 97.648 46.059 1.00-17.94 H ATOM 18 CG1 ILE A 2 60.476 98.559 44.716 1.00-17.94 C ATOM 19 1HG1 ILE A 2 60.444 99.427 44.057 1.00-17.94 H ATOM 20 2HG1 ILE A 2 60.303 97.672 44.110 1.00-17.94 H ATOM 21 CG2 ILE A 2 62.200 99.801 46.105 1.00-17.94 C ATOM 22 1HG2 ILE A 2 61.518 99.930 46.947 1.00-17.94 H ATOM 23 2HG2 ILE A 2 62.094 100.654 45.430 1.00-17.94 H ATOM 24 3HG2 ILE A 2 63.217 99.793 46.496 1.00-17.94 H ATOM 25 CD1 ILE A 2 59.305 98.658 45.708 1.00-17.94 C ATOM 26 1HD1 ILE A 2 58.364 98.596 45.159 1.00-17.94 H ATOM 27 2HD1 ILE A 2 59.333 99.609 46.239 1.00-17.94 H ATOM 28 3HD1 ILE A 2 59.351 97.837 46.425 1.00-17.94 H ATOM 29 N LEU A 3 64.516 97.470 46.007 1.00 -9.33 N ATOM 30 H LEU A 3 63.699 97.281 46.564 1.00 -9.33 H ATOM 31 CA LEU A 3 65.836 97.267 46.614 1.00 -9.33 C ATOM 32 HA LEU A 3 66.446 98.151 46.434 1.00 -9.33 H ATOM 33 C LEU A 3 66.563 96.071 46.017 1.00 -9.33 C ATOM 34 O LEU A 3 67.786 96.019 45.986 1.00 -9.33 O ATOM 35 CB LEU A 3 65.696 97.052 48.124 1.00 -9.33 C ATOM 36 1HB LEU A 3 65.094 96.157 48.279 1.00 -9.33 H ATOM 37 2HB LEU A 3 66.691 96.854 48.525 1.00 -9.33 H ATOM 38 CG LEU A 3 65.076 98.192 48.948 1.00 -9.33 C ATOM 39 HG LEU A 3 64.095 98.427 48.538 1.00 -9.33 H ATOM 40 CD1 LEU A 3 64.886 97.738 50.391 1.00 -9.33 C ATOM 41 1HD1 LEU A 3 64.408 98.530 50.969 1.00 -9.33 H ATOM 42 2HD1 LEU A 3 65.850 97.497 50.843 1.00 -9.33 H ATOM 43 3HD1 LEU A 3 64.249 96.852 50.423 1.00 -9.33 H ATOM 44 CD2 LEU A 3 65.927 99.463 48.919 1.00 -9.33 C ATOM 45 1HD2 LEU A 3 65.469 100.228 49.546 1.00 -9.33 H ATOM 46 2HD2 LEU A 3 65.992 99.848 47.901 1.00 -9.33 H ATOM 47 3HD2 LEU A 3 66.932 99.252 49.290 1.00 -9.33 H ATOM 48 N ASP A 4 65.775 95.153 45.481 1.00 24.22 N ATOM 49 H ASP A 4 64.772 95.288 45.514 1.00 24.22 H ATOM 50 CA ASP A 4 66.242 93.937 44.813 1.00 24.22 C ATOM 51 HA ASP A 4 67.002 93.451 45.424 1.00 24.22 H ATOM 52 C ASP A 4 66.829 94.211 43.428 1.00 24.22 C ATOM 53 O ASP A 4 67.324 93.315 42.751 1.00 24.22 O ATOM 54 CB ASP A 4 65.045 93.000 44.638 1.00 24.22 C ATOM 55 1HB ASP A 4 65.378 92.073 44.170 1.00 24.22 H ATOM 56 2HB ASP A 4 64.636 92.766 45.622 1.00 24.22 H ATOM 57 CG ASP A 4 63.953 93.629 43.793 1.00 24.22 C ATOM 58 OD1 ASP A 4 63.215 94.489 44.334 1.00 24.22 O ATOM 59 OD2 ASP A 4 63.871 93.381 42.575 1.00 24.22 O ATOM 60 N THR A 5 66.792 95.458 42.987 1.00 5.22 N ATOM 61 H THR A 5 66.370 96.186 43.549 1.00 5.22 H ATOM 62 CA THR A 5 67.453 95.814 41.740 1.00 5.22 C ATOM 63 HA THR A 5 67.161 95.108 40.964 1.00 5.22 H ATOM 64 C THR A 5 68.956 95.712 42.002 1.00 5.22 C ATOM 65 O THR A 5 69.433 96.161 43.037 1.00 5.22 O ATOM 66 CB THR A 5 67.060 97.242 41.316 1.00 5.22 C ATOM 67 HB THR A 5 67.480 97.963 42.016 1.00 5.22 H ATOM 68 OG1 THR A 5 65.635 97.346 41.340 1.00 5.22 O ATOM 69 HG1 THR A 5 65.396 97.778 42.175 1.00 5.22 H ATOM 70 CG2 THR A 5 67.505 97.580 39.902 1.00 5.22 C ATOM 71 1HG2 THR A 5 67.125 98.567 39.640 1.00 5.22 H ATOM 72 2HG2 THR A 5 67.097 96.851 39.200 1.00 5.22 H ATOM 73 3HG2 THR A 5 68.589 97.589 39.835 1.00 5.22 H ATOM 74 N ILE A 6 69.721 95.176 41.060 1.00 4.27 N ATOM 75 H ILE A 6 69.290 94.826 40.219 1.00 4.27 H ATOM 76 CA ILE A 6 71.175 95.014 41.210 1.00 4.27 C ATOM 77 HA ILE A 6 71.365 94.342 42.046 1.00 4.27 H ATOM 78 C ILE A 6 71.856 96.346 41.557 1.00 4.27 C ATOM 79 O ILE A 6 72.788 96.395 42.358 1.00 4.27 O ATOM 80 CB ILE A 6 71.754 94.361 39.912 1.00 4.27 C ATOM 81 HB ILE A 6 71.419 94.945 39.054 1.00 4.27 H ATOM 82 CG1 ILE A 6 71.194 92.926 39.789 1.00 4.27 C ATOM 83 1HG1 ILE A 6 71.588 92.335 40.618 1.00 4.27 H ATOM 84 2HG1 ILE A 6 70.111 92.955 39.892 1.00 4.27 H ATOM 85 CG2 ILE A 6 73.296 94.346 39.899 1.00 4.27 C ATOM 86 1HG2 ILE A 6 73.657 93.938 38.955 1.00 4.27 H ATOM 87 2HG2 ILE A 6 73.665 93.735 40.717 1.00 4.27 H ATOM 88 3HG2 ILE A 6 73.696 95.355 39.993 1.00 4.27 H ATOM 89 CD1 ILE A 6 71.502 92.183 38.486 1.00 4.27 C ATOM 90 1HD1 ILE A 6 70.964 91.235 38.475 1.00 4.27 H ATOM 91 2HD1 ILE A 6 72.570 91.979 38.409 1.00 4.27 H ATOM 92 3HD1 ILE A 6 71.185 92.782 37.631 1.00 4.27 H ATOM 93 N LYS A 7 71.313 97.444 41.047 1.00 -1.28 N ATOM 94 H LYS A 7 70.536 97.337 40.420 1.00 -1.28 H ATOM 95 CA LYS A 7 71.774 98.795 41.383 1.00 -1.28 C ATOM 96 HA LYS A 7 72.804 98.906 41.046 1.00 -1.28 H ATOM 97 C LYS A 7 71.749 99.105 42.884 1.00 -1.28 C ATOM 98 O LYS A 7 72.687 99.700 43.413 1.00 -1.28 O ATOM 99 CB LYS A 7 70.882 99.792 40.634 1.00 -1.28 C ATOM 100 1HB LYS A 7 70.856 99.503 39.584 1.00 -1.28 H ATOM 101 2HB LYS A 7 69.872 99.708 41.035 1.00 -1.28 H ATOM 102 CG LYS A 7 71.302 101.258 40.713 1.00 -1.28 C ATOM 103 1HG LYS A 7 71.362 101.565 41.757 1.00 -1.28 H ATOM 104 2HG LYS A 7 72.276 101.386 40.240 1.00 -1.28 H ATOM 105 CD LYS A 7 70.261 102.121 40.000 1.00 -1.28 C ATOM 106 1HD LYS A 7 70.170 101.783 38.967 1.00 -1.28 H ATOM 107 2HD LYS A 7 69.300 101.991 40.499 1.00 -1.28 H ATOM 108 CE LYS A 7 70.629 103.602 40.014 1.00 -1.28 C ATOM 109 1HE LYS A 7 70.763 103.924 41.050 1.00 -1.28 H ATOM 110 2HE LYS A 7 71.572 103.739 39.480 1.00 -1.28 H ATOM 111 NZ LYS A 7 69.557 104.441 39.364 1.00 -1.28 N ATOM 112 1HZ LYS A 7 69.823 105.417 39.383 1.00 -1.28 H ATOM 113 2HZ LYS A 7 68.682 104.329 39.859 1.00 -1.28 H ATOM 114 3HZ LYS A 7 69.430 104.154 38.402 1.00 -1.28 H ATOM 115 N SER A 8 70.691 98.713 43.577 1.00 22.82 N ATOM 116 H SER A 8 69.947 98.184 43.134 1.00 22.82 H ATOM 117 CA SER A 8 70.538 98.998 45.002 1.00 22.82 C ATOM 118 HA SER A 8 71.042 99.934 45.243 1.00 22.82 H ATOM 119 C SER A 8 71.142 97.906 45.876 1.00 22.82 C ATOM 120 O SER A 8 71.591 98.197 46.980 1.00 22.82 O ATOM 121 CB SER A 8 69.056 99.159 45.313 1.00 22.82 C ATOM 122 1HB SER A 8 68.860 98.910 46.357 1.00 22.82 H ATOM 123 2HB SER A 8 68.764 100.192 45.124 1.00 22.82 H ATOM 124 OG SER A 8 68.315 98.317 44.451 1.00 22.82 O ATOM 125 HG SER A 8 68.272 97.432 44.849 1.00 22.82 H ATOM 126 N ILE A 9 71.259 96.690 45.357 1.00 13.65 N ATOM 127 H ILE A 9 70.803 96.471 44.474 1.00 13.65 H ATOM 128 CA ILE A 9 72.021 95.634 46.036 1.00 13.65 C ATOM 129 HA ILE A 9 71.669 95.539 47.063 1.00 13.65 H ATOM 130 C ILE A 9 73.491 96.065 46.066 1.00 13.65 C ATOM 131 O ILE A 9 74.206 95.876 47.047 1.00 13.65 O ATOM 132 CB ILE A 9 71.874 94.255 45.317 1.00 13.65 C ATOM 133 HB ILE A 9 72.172 94.372 44.276 1.00 13.65 H ATOM 134 CG1 ILE A 9 70.408 93.777 45.365 1.00 13.65 C ATOM 135 1HG1 ILE A 9 70.148 93.562 46.402 1.00 13.65 H ATOM 136 2HG1 ILE A 9 69.764 94.581 45.024 1.00 13.65 H ATOM 137 CG2 ILE A 9 72.782 93.192 45.973 1.00 13.65 C ATOM 138 1HG2 ILE A 9 72.709 92.247 45.435 1.00 13.65 H ATOM 139 2HG2 ILE A 9 72.487 93.036 47.014 1.00 13.65 H ATOM 140 3HG2 ILE A 9 73.823 93.508 45.939 1.00 13.65 H ATOM 141 CD1 ILE A 9 70.085 92.539 44.516 1.00 13.65 C ATOM 142 1HD1 ILE A 9 69.017 92.330 44.582 1.00 13.65 H ATOM 143 2HD1 ILE A 9 70.626 91.667 44.883 1.00 13.65 H ATOM 144 3HD1 ILE A 9 70.343 92.721 43.473 1.00 13.65 H ATOM 145 N ALA A 10 73.950 96.706 45.003 1.00 1.04 N ATOM 146 H ALA A 10 73.361 96.791 44.177 1.00 1.04 H ATOM 147 CA ALA A 10 75.295 97.268 44.971 1.00 1.04 C ATOM 148 HA ALA A 10 76.000 96.525 45.345 1.00 1.04 H ATOM 149 C ALA A 10 75.429 98.530 45.825 1.00 1.04 C ATOM 150 O ALA A 10 76.531 98.895 46.233 1.00 1.04 O ATOM 151 CB ALA A 10 75.636 97.590 43.541 1.00 1.04 C ATOM 152 1HB ALA A 10 75.573 96.683 42.939 1.00 1.04 H ATOM 153 2HB ALA A 10 76.646 97.981 43.489 1.00 1.04 H ATOM 154 3HB ALA A 10 74.943 98.331 43.141 1.00 1.04 H ATOM 155 N SER A 11 74.297 99.201 46.005 1.00 31.30 N ATOM 156 H SER A 11 73.459 98.790 45.623 1.00 31.30 H ATOM 157 CA SER A 11 74.134 100.493 46.689 1.00 31.30 C ATOM 158 HA SER A 11 73.099 100.795 46.524 1.00 31.30 H ATOM 159 C SER A 11 74.998 101.648 46.179 1.00 31.30 C ATOM 160 O SER A 11 75.123 102.683 46.826 1.00 31.30 O ATOM 161 CB SER A 11 74.313 100.336 48.199 1.00 31.30 C ATOM 162 1HB SER A 11 75.365 100.151 48.417 1.00 31.30 H ATOM 163 2HB SER A 11 74.004 101.255 48.698 1.00 31.30 H ATOM 164 OG SER A 11 73.542 99.247 48.684 1.00 31.30 O ATOM 165 HG SER A 11 72.747 99.145 48.135 1.00 31.30 H ATOM 166 N LYS A 12 75.611 101.468 45.018 1.00 8.37 N ATOM 167 H LYS A 12 75.486 100.587 44.536 1.00 8.37 H ATOM 168 CA LYS A 12 76.489 102.464 44.415 1.00 8.37 C ATOM 169 HA LYS A 12 76.112 103.467 44.621 1.00 8.37 H ATOM 170 C LYS A 12 76.449 102.153 42.930 1.00 8.37 C ATOM 171 O LYS A 12 76.587 100.991 42.555 1.00 8.37 O ATOM 172 CB LYS A 12 77.894 102.290 45.009 1.00 8.37 C ATOM 173 1HB LYS A 12 77.800 102.330 46.094 1.00 8.37 H ATOM 174 2HB LYS A 12 78.253 101.301 44.748 1.00 8.37 H ATOM 175 CG LYS A 12 78.945 103.311 44.599 1.00 8.37 C ATOM 176 1HG LYS A 12 79.086 103.281 43.520 1.00 8.37 H ATOM 177 2HG LYS A 12 78.614 104.307 44.894 1.00 8.37 H ATOM 178 CD LYS A 12 80.268 102.988 45.303 1.00 8.37 C ATOM 179 1HD LYS A 12 80.086 102.943 46.378 1.00 8.37 H ATOM 180 2HD LYS A 12 80.618 102.012 44.966 1.00 8.37 H ATOM 181 CE LYS A 12 81.357 104.030 45.034 1.00 8.37 C ATOM 182 1HE LYS A 12 81.549 104.080 43.960 1.00 8.37 H ATOM 183 2HE LYS A 12 81.002 105.007 45.372 1.00 8.37 H ATOM 184 NZ LYS A 12 82.641 103.691 45.754 1.00 8.37 N ATOM 185 1HZ LYS A 12 83.344 104.391 45.553 1.00 8.37 H ATOM 186 2HZ LYS A 12 82.981 102.788 45.451 1.00 8.37 H ATOM 187 3HZ LYS A 12 82.481 103.665 46.753 1.00 8.37 H ATOM 188 N VAL A 13 76.276 103.155 42.082 1.00 -8.19 N ATOM 189 H VAL A 13 76.179 104.097 42.426 1.00 -8.19 H ATOM 190 CA VAL A 13 76.171 102.918 40.637 1.00 -8.19 C ATOM 191 HA VAL A 13 75.380 102.190 40.460 1.00 -8.19 H ATOM 192 C VAL A 13 77.479 102.328 40.115 1.00 -8.19 C ATOM 193 O VAL A 13 77.495 101.352 39.376 1.00 -8.19 O ATOM 194 CB VAL A 13 75.821 104.231 39.879 1.00 -8.19 C ATOM 195 HB VAL A 13 76.618 104.954 40.048 1.00 -8.19 H ATOM 196 CG1 VAL A 13 75.683 103.994 38.371 1.00 -8.19 C ATOM 197 1HG1 VAL A 13 75.407 104.924 37.871 1.00 -8.19 H ATOM 198 2HG1 VAL A 13 74.925 103.236 38.169 1.00 -8.19 H ATOM 199 3HG1 VAL A 13 76.636 103.662 37.953 1.00 -8.19 H ATOM 200 CG2 VAL A 13 74.509 104.824 40.429 1.00 -8.19 C ATOM 201 1HG2 VAL A 13 74.227 105.696 39.835 1.00 -8.19 H ATOM 202 2HG2 VAL A 13 74.637 105.153 41.459 1.00 -8.19 H ATOM 203 3HG2 VAL A 13 73.715 104.082 40.379 1.00 -8.19 H ATOM 204 N TRP A 14 78.588 102.850 40.613 1.00-21.30 N ATOM 205 H TRP A 14 78.528 103.648 41.221 1.00-21.30 H ATOM 206 CA TRP A 14 79.917 102.359 40.256 1.00-21.30 C ATOM 207 HA TRP A 14 80.043 102.453 39.175 1.00-21.30 H ATOM 208 C TRP A 14 80.164 100.902 40.642 1.00-21.30 C ATOM 209 O TRP A 14 81.002 100.223 40.065 1.00-21.30 O ATOM 210 CB TRP A 14 80.949 103.239 40.961 1.00-21.30 C ATOM 211 1HB TRP A 14 80.942 103.006 42.023 1.00-21.30 H ATOM 212 2HB TRP A 14 81.939 103.018 40.562 1.00-21.30 H ATOM 213 CG TRP A 14 80.647 104.701 40.790 1.00-21.30 C ATOM 214 CD1 TRP A 14 80.135 105.561 41.720 1.00-21.30 C ATOM 215 HD1 TRP A 14 79.893 105.287 42.735 1.00-21.30 H ATOM 216 CD2 TRP A 14 80.822 105.490 39.598 1.00-21.30 C ATOM 217 NE1 TRP A 14 79.966 106.814 41.202 1.00-21.30 N ATOM 218 HE1 TRP A 14 79.609 107.613 41.711 1.00-21.30 H ATOM 219 CE2 TRP A 14 80.371 106.809 39.895 1.00-21.30 C ATOM 220 CE3 TRP A 14 81.309 105.216 38.303 1.00-21.30 C ATOM 221 HE3 TRP A 14 81.666 104.230 38.048 1.00-21.30 H ATOM 222 CZ2 TRP A 14 80.393 107.847 38.941 1.00-21.30 C ATOM 223 HZ2 TRP A 14 80.053 108.841 39.192 1.00-21.30 H ATOM 224 CZ3 TRP A 14 81.331 106.257 37.340 1.00-21.30 C ATOM 225 HZ3 TRP A 14 81.708 106.060 36.345 1.00-21.30 H ATOM 226 CH2 TRP A 14 80.869 107.563 37.674 1.00-21.30 C ATOM 227 HH2 TRP A 14 80.898 108.344 36.927 1.00-21.30 H ATOM 228 N ASN A 15 79.417 100.414 41.622 1.00 1.25 N ATOM 229 H ASN A 15 78.681 100.980 42.019 1.00 1.25 H ATOM 230 CA ASN A 15 79.588 99.054 42.119 1.00 1.25 C ATOM 231 HA ASN A 15 80.575 98.686 41.834 1.00 1.25 H ATOM 232 C ASN A 15 78.537 98.125 41.520 1.00 1.25 C ATOM 233 O ASN A 15 78.517 96.932 41.803 1.00 1.25 O ATOM 234 CB ASN A 15 79.489 99.053 43.646 1.00 1.25 C ATOM 235 1HB ASN A 15 80.085 99.872 44.039 1.00 1.25 H ATOM 236 2HB ASN A 15 78.451 99.197 43.938 1.00 1.25 H ATOM 237 CG ASN A 15 79.994 97.778 44.257 1.00 1.25 C ATOM 238 OD1 ASN A 15 81.094 97.337 43.960 1.00 1.25 O ATOM 239 ND2 ASN A 15 79.222 97.192 45.127 1.00 1.25 N ATOM 240 1HD2 ASN A 15 79.539 96.336 45.547 1.00 1.25 H ATOM 241 2HD2 ASN A 15 78.331 97.600 45.376 1.00 1.25 H ATOM 242 N SER A 16 77.652 98.654 40.684 1.00 2.36 N ATOM 243 H SER A 16 77.698 99.640 40.435 1.00 2.36 H ATOM 244 CA SER A 16 76.585 97.830 40.112 1.00 2.36 C ATOM 245 HA SER A 16 76.064 97.314 40.911 1.00 2.36 H ATOM 246 C SER A 16 77.186 96.771 39.205 1.00 2.36 C ATOM 247 O SER A 16 76.736 95.632 39.196 1.00 2.36 O ATOM 248 CB SER A 16 75.573 98.693 39.362 1.00 2.36 C ATOM 249 1HB SER A 16 76.079 99.231 38.561 1.00 2.36 H ATOM 250 2HB SER A 16 74.800 98.055 38.932 1.00 2.36 H ATOM 251 OG SER A 16 74.979 99.623 40.258 1.00 2.36 O ATOM 252 HG SER A 16 75.648 99.918 40.887 1.00 2.36 H ATOM 253 N LYS A 17 78.270 97.119 38.521 1.00 -2.72 N ATOM 254 H LYS A 17 78.601 98.072 38.579 1.00 -2.72 H ATOM 255 CA LYS A 17 78.991 96.157 37.684 1.00 -2.72 C ATOM 256 HA LYS A 17 78.290 95.732 36.964 1.00 -2.72 H ATOM 257 C LYS A 17 79.560 95.000 38.501 1.00 -2.72 C ATOM 258 O LYS A 17 79.592 93.874 38.036 1.00 -2.72 O ATOM 259 CB LYS A 17 80.113 96.869 36.919 1.00 -2.72 C ATOM 260 1HB LYS A 17 79.691 97.748 36.431 1.00 -2.72 H ATOM 261 2HB LYS A 17 80.872 97.197 37.629 1.00 -2.72 H ATOM 262 CG LYS A 17 80.779 95.999 35.851 1.00 -2.72 C ATOM 263 1HG LYS A 17 81.225 95.127 36.327 1.00 -2.72 H ATOM 264 2HG LYS A 17 80.022 95.663 35.143 1.00 -2.72 H ATOM 265 CD LYS A 17 81.870 96.747 35.096 1.00 -2.72 C ATOM 266 1HD LYS A 17 81.444 97.645 34.645 1.00 -2.72 H ATOM 267 2HD LYS A 17 82.657 97.031 35.796 1.00 -2.72 H ATOM 268 CE LYS A 17 82.458 95.852 34.004 1.00 -2.72 C ATOM 269 1HE LYS A 17 82.852 94.943 34.467 1.00 -2.72 H ATOM 270 2HE LYS A 17 81.658 95.566 33.317 1.00 -2.72 H ATOM 271 NZ LYS A 17 83.555 96.532 33.228 1.00 -2.72 N ATOM 272 1HZ LYS A 17 83.899 95.913 32.506 1.00 -2.72 H ATOM 273 2HZ LYS A 17 84.318 96.771 33.847 1.00 -2.72 H ATOM 274 3HZ LYS A 17 83.199 97.375 32.798 1.00 -2.72 H ATOM 275 N THR A 18 79.984 95.260 39.727 1.00 14.22 N ATOM 276 H THR A 18 79.915 96.195 40.098 1.00 14.22 H ATOM 277 CA THR A 18 80.544 94.221 40.591 1.00 14.22 C ATOM 278 HA THR A 18 81.386 93.748 40.089 1.00 14.22 H ATOM 279 C THR A 18 79.512 93.153 40.935 1.00 14.22 C ATOM 280 O THR A 18 79.812 91.963 40.948 1.00 14.22 O ATOM 281 CB THR A 18 81.015 94.862 41.909 1.00 14.22 C ATOM 282 HB THR A 18 80.148 95.232 42.450 1.00 14.22 H ATOM 283 OG1 THR A 18 81.874 95.967 41.617 1.00 14.22 O ATOM 284 HG1 THR A 18 81.805 96.568 42.377 1.00 14.22 H ATOM 285 CG2 THR A 18 81.769 93.923 42.809 1.00 14.22 C ATOM 286 1HG2 THR A 18 82.216 94.484 43.631 1.00 14.22 H ATOM 287 2HG2 THR A 18 82.550 93.404 42.258 1.00 14.22 H ATOM 288 3HG2 THR A 18 81.086 93.189 43.224 1.00 14.22 H ATOM 289 N VAL A 19 78.286 93.575 41.205 1.00 12.02 N ATOM 290 H VAL A 19 78.070 94.564 41.176 1.00 12.02 H ATOM 291 CA VAL A 19 77.232 92.626 41.559 1.00 12.02 C ATOM 292 HA VAL A 19 77.665 91.839 42.172 1.00 12.02 H ATOM 293 C VAL A 19 76.692 91.973 40.287 1.00 12.02 C ATOM 294 O VAL A 19 76.456 90.773 40.274 1.00 12.02 O ATOM 295 CB VAL A 19 76.118 93.313 42.394 1.00 12.02 C ATOM 296 HB VAL A 19 75.671 94.108 41.800 1.00 12.02 H ATOM 297 CG1 VAL A 19 75.024 92.315 42.806 1.00 12.02 C ATOM 298 1HG1 VAL A 19 74.244 92.835 43.361 1.00 12.02 H ATOM 299 2HG1 VAL A 19 75.442 91.522 43.428 1.00 12.02 H ATOM 300 3HG1 VAL A 19 74.569 91.865 41.922 1.00 12.02 H ATOM 301 CG2 VAL A 19 76.723 93.936 43.667 1.00 12.02 C ATOM 302 1HG2 VAL A 19 75.925 94.345 44.287 1.00 12.02 H ATOM 303 2HG2 VAL A 19 77.401 94.749 43.405 1.00 12.02 H ATOM 304 3HG2 VAL A 19 77.262 93.180 44.238 1.00 12.02 H ATOM 305 N GLN A 20 76.571 92.735 39.208 1.00 17.31 N ATOM 306 H GLN A 20 76.788 93.726 39.270 1.00 17.31 H ATOM 307 CA GLN A 20 76.118 92.221 37.910 1.00 17.31 C ATOM 308 HA GLN A 20 75.125 91.785 38.027 1.00 17.31 H ATOM 309 C GLN A 20 77.043 91.142 37.349 1.00 17.31 C ATOM 310 O GLN A 20 76.597 90.200 36.700 1.00 17.31 O ATOM 311 CB GLN A 20 76.040 93.386 36.914 1.00 17.31 C ATOM 312 1HB GLN A 20 75.434 94.176 37.354 1.00 17.31 H ATOM 313 2HB GLN A 20 77.045 93.775 36.761 1.00 17.31 H ATOM 314 CG GLN A 20 75.454 93.044 35.547 1.00 17.31 C ATOM 315 1HG GLN A 20 75.511 93.925 34.907 1.00 17.31 H ATOM 316 2HG GLN A 20 76.047 92.254 35.089 1.00 17.31 H ATOM 317 CD GLN A 20 74.013 92.597 35.623 1.00 17.31 C ATOM 318 OE1 GLN A 20 73.109 93.403 35.778 1.00 17.31 O ATOM 319 NE2 GLN A 20 73.786 91.313 35.526 1.00 17.31 N ATOM 320 1HE2 GLN A 20 72.834 90.992 35.528 1.00 17.31 H ATOM 321 2HE2 GLN A 20 74.563 90.665 35.471 1.00 17.31 H ATOM 322 N ASP A 21 78.331 91.276 37.628 1.00 26.41 N ATOM 323 H ASP A 21 78.648 92.111 38.112 1.00 26.41 H ATOM 324 CA ASP A 21 79.336 90.280 37.256 1.00 26.41 C ATOM 325 HA ASP A 21 79.354 90.158 36.174 1.00 26.41 H ATOM 326 C ASP A 21 79.086 88.905 37.880 1.00 26.41 C ATOM 327 O ASP A 21 79.446 87.878 37.302 1.00 26.41 O ATOM 328 CB ASP A 21 80.702 90.783 37.723 1.00 26.41 C ATOM 329 1HB ASP A 21 80.935 91.718 37.216 1.00 26.41 H ATOM 330 2HB ASP A 21 80.661 90.964 38.793 1.00 26.41 H ATOM 331 CG ASP A 21 81.794 89.784 37.468 1.00 26.41 C ATOM 332 OD1 ASP A 21 82.410 89.798 36.386 1.00 26.41 O ATOM 333 OD2 ASP A 21 82.015 88.930 38.353 1.00 26.41 O ATOM 334 N LEU A 22 78.459 88.908 39.050 1.00 26.20 N ATOM 335 H LEU A 22 78.174 89.808 39.423 1.00 26.20 H ATOM 336 CA LEU A 22 78.070 87.725 39.830 1.00 26.20 C ATOM 337 HA LEU A 22 77.584 88.126 40.715 1.00 26.20 H ATOM 338 C LEU A 22 79.145 86.789 40.392 1.00 26.20 C ATOM 339 O LEU A 22 78.804 85.944 41.215 1.00 26.20 O ATOM 340 CB LEU A 22 76.989 86.909 39.098 1.00 26.20 C ATOM 341 1HB LEU A 22 77.368 86.655 38.110 1.00 26.20 H ATOM 342 2HB LEU A 22 76.843 85.973 39.635 1.00 26.20 H ATOM 343 CG LEU A 22 75.604 87.555 38.930 1.00 26.20 C ATOM 344 HG LEU A 22 75.726 88.547 38.505 1.00 26.20 H ATOM 345 CD1 LEU A 22 74.767 86.724 37.960 1.00 26.20 C ATOM 346 1HD1 LEU A 22 73.795 87.196 37.819 1.00 26.20 H ATOM 347 2HD1 LEU A 22 74.628 85.712 38.343 1.00 26.20 H ATOM 348 3HD1 LEU A 22 75.269 86.682 36.993 1.00 26.20 H ATOM 349 CD2 LEU A 22 74.853 87.685 40.262 1.00 26.20 C ATOM 350 1HD2 LEU A 22 73.867 88.113 40.081 1.00 26.20 H ATOM 351 2HD2 LEU A 22 75.395 88.360 40.924 1.00 26.20 H ATOM 352 3HD2 LEU A 22 74.742 86.710 40.732 1.00 26.20 H ATOM 353 N LYS A 23 80.424 86.965 40.073 1.00 -8.70 N ATOM 354 H LYS A 23 80.664 87.611 39.319 1.00 -8.70 H ATOM 355 CA LYS A 23 81.500 86.255 40.799 1.00 -8.70 C ATOM 356 HA LYS A 23 81.036 85.682 41.601 1.00 -8.70 H ATOM 357 C LYS A 23 82.456 87.196 41.521 1.00 -8.70 C ATOM 358 O LYS A 23 82.959 86.861 42.580 1.00 -8.70 O ATOM 359 CB LYS A 23 82.252 85.210 39.951 1.00 -8.70 C ATOM 360 1HB LYS A 23 82.963 84.716 40.615 1.00 -8.70 H ATOM 361 2HB LYS A 23 81.540 84.453 39.622 1.00 -8.70 H ATOM 362 CG LYS A 23 83.033 85.696 38.727 1.00 -8.70 C ATOM 363 1HG LYS A 23 83.448 86.682 38.930 1.00 -8.70 H ATOM 364 2HG LYS A 23 83.856 85.007 38.535 1.00 -8.70 H ATOM 365 CD LYS A 23 82.155 85.746 37.484 1.00 -8.70 C ATOM 366 1HD LYS A 23 81.833 84.741 37.217 1.00 -8.70 H ATOM 367 2HD LYS A 23 81.278 86.336 37.712 1.00 -8.70 H ATOM 368 CE LYS A 23 82.861 86.392 36.309 1.00 -8.70 C ATOM 369 1HE LYS A 23 83.589 87.117 36.682 1.00 -8.70 H ATOM 370 2HE LYS A 23 83.367 85.633 35.711 1.00 -8.70 H ATOM 371 NZ LYS A 23 81.837 87.123 35.499 1.00 -8.70 N ATOM 372 1HZ LYS A 23 82.256 87.500 34.661 1.00 -8.70 H ATOM 373 2HZ LYS A 23 81.491 87.905 36.050 1.00 -8.70 H ATOM 374 3HZ LYS A 23 81.061 86.521 35.271 1.00 -8.70 H ATOM 375 N ARG A 24 82.616 88.417 41.028 1.00 11.42 N ATOM 376 H ARG A 24 82.239 88.636 40.103 1.00 11.42 H ATOM 377 CA ARG A 24 83.353 89.463 41.748 1.00 11.42 C ATOM 378 HA ARG A 24 84.228 89.015 42.221 1.00 11.42 H ATOM 379 C ARG A 24 82.507 90.117 42.837 1.00 11.42 C ATOM 380 O ARG A 24 82.967 91.023 43.531 1.00 11.42 O ATOM 381 CB ARG A 24 83.814 90.543 40.763 1.00 11.42 C ATOM 382 1HB ARG A 24 83.851 90.111 39.764 1.00 11.42 H ATOM 383 2HB ARG A 24 83.083 91.351 40.761 1.00 11.42 H ATOM 384 CG ARG A 24 85.198 91.097 41.077 1.00 11.42 C ATOM 385 1HG ARG A 24 85.257 91.368 42.130 1.00 11.42 H ATOM 386 2HG ARG A 24 85.933 90.316 40.876 1.00 11.42 H ATOM 387 CD ARG A 24 85.532 92.319 40.228 1.00 11.42 C ATOM 388 1HD ARG A 24 86.615 92.444 40.199 1.00 11.42 H ATOM 389 2HD ARG A 24 85.181 92.146 39.210 1.00 11.42 H ATOM 390 NE ARG A 24 84.919 93.549 40.759 1.00 11.42 N ATOM 391 HE ARG A 24 84.015 93.793 40.390 1.00 11.42 H ATOM 392 CZ ARG A 24 85.445 94.363 41.667 1.00 11.42 C ATOM 393 NH1 ARG A 24 84.789 95.435 42.015 1.00 11.42 N ATOM 394 1HH1 ARG A 24 83.862 95.613 41.639 1.00 11.42 H ATOM 395 2HH1 ARG A 24 85.190 96.080 42.674 1.00 11.42 H ATOM 396 NH2 ARG A 24 86.606 94.162 42.241 1.00 11.42 N ATOM 397 1HH2 ARG A 24 87.134 93.336 42.009 1.00 11.42 H ATOM 398 2HH2 ARG A 24 86.961 94.819 42.915 1.00 11.42 H ATOM 399 N LYS A 25 81.255 89.696 42.950 1.00 28.51 N ATOM 400 H LYS A 25 80.950 88.936 42.368 1.00 28.51 H ATOM 401 CA LYS A 25 80.310 90.281 43.902 1.00 28.51 C ATOM 402 HA LYS A 25 80.239 91.343 43.690 1.00 28.51 H ATOM 403 C LYS A 25 80.824 90.122 45.331 1.00 28.51 C ATOM 404 O LYS A 25 81.416 89.111 45.692 1.00 28.51 O ATOM 405 CB LYS A 25 78.913 89.660 43.735 1.00 28.51 C ATOM 406 1HB LYS A 25 78.221 90.188 44.392 1.00 28.51 H ATOM 407 2HB LYS A 25 78.588 89.811 42.705 1.00 28.51 H ATOM 408 CG LYS A 25 78.829 88.168 44.053 1.00 28.51 C ATOM 409 1HG LYS A 25 79.523 87.624 43.414 1.00 28.51 H ATOM 410 2HG LYS A 25 79.113 88.015 45.090 1.00 28.51 H ATOM 411 CD LYS A 25 77.433 87.603 43.860 1.00 28.51 C ATOM 412 1HD LYS A 25 76.741 88.107 44.537 1.00 28.51 H ATOM 413 2HD LYS A 25 77.113 87.766 42.833 1.00 28.51 H ATOM 414 CE LYS A 25 77.435 86.106 44.160 1.00 28.51 C ATOM 415 1HE LYS A 25 78.167 85.608 43.524 1.00 28.51 H ATOM 416 2HE LYS A 25 77.716 85.956 45.203 1.00 28.51 H ATOM 417 NZ LYS A 25 76.094 85.494 43.949 1.00 28.51 N ATOM 418 1HZ LYS A 25 76.118 84.519 44.217 1.00 28.51 H ATOM 419 2HZ LYS A 25 75.796 85.595 42.992 1.00 28.51 H ATOM 420 3HZ LYS A 25 75.430 85.947 44.578 1.00 28.51 H ATOM 421 N GLY A 26 80.573 91.122 46.161 1.00 20.65 N ATOM 422 H GLY A 26 80.101 91.944 45.831 1.00 20.65 H ATOM 423 CA GLY A 26 80.934 91.032 47.567 1.00 20.65 C ATOM 424 1HA GLY A 26 81.899 90.535 47.673 1.00 20.65 H ATOM 425 2HA GLY A 26 80.988 92.029 48.004 1.00 20.65 H ATOM 426 C GLY A 26 79.865 90.231 48.278 1.00 20.65 C ATOM 427 O GLY A 26 78.901 90.816 48.761 1.00 20.65 O ATOM 428 N ILE A 27 79.989 88.911 48.286 1.00 -7.46 N ATOM 429 H ILE A 27 80.835 88.501 47.901 1.00 -7.46 H ATOM 430 CA ILE A 27 78.905 88.001 48.674 1.00 -7.46 C ATOM 431 HA ILE A 27 78.099 88.126 47.948 1.00 -7.46 H ATOM 432 C ILE A 27 78.318 88.317 50.051 1.00 -7.46 C ATOM 433 O ILE A 27 77.109 88.426 50.206 1.00 -7.46 O ATOM 434 CB ILE A 27 79.370 86.505 48.633 1.00 -7.46 C ATOM 435 HB ILE A 27 80.095 86.342 49.431 1.00 -7.46 H ATOM 436 CG1 ILE A 27 80.054 86.174 47.288 1.00 -7.46 C ATOM 437 1HG1 ILE A 27 79.321 86.291 46.497 1.00 -7.46 H ATOM 438 2HG1 ILE A 27 80.859 86.882 47.108 1.00 -7.46 H ATOM 439 CG2 ILE A 27 78.169 85.566 48.854 1.00 -7.46 C ATOM 440 1HG2 ILE A 27 78.493 84.526 48.911 1.00 -7.46 H ATOM 441 2HG2 ILE A 27 77.449 85.662 48.037 1.00 -7.46 H ATOM 442 3HG2 ILE A 27 77.664 85.798 49.789 1.00 -7.46 H ATOM 443 CD1 ILE A 27 80.665 84.771 47.166 1.00 -7.46 C ATOM 444 1HD1 ILE A 27 81.219 84.701 46.229 1.00 -7.46 H ATOM 445 2HD1 ILE A 27 79.881 84.012 47.165 1.00 -7.46 H ATOM 446 3HD1 ILE A 27 81.348 84.588 47.996 1.00 -7.46 H ATOM 447 N ASN A 28 79.151 88.551 51.053 1.00-13.63 N ATOM 448 H ASN A 28 80.146 88.464 50.910 1.00-13.63 H ATOM 449 CA ASN A 28 78.642 88.864 52.392 1.00-13.63 C ATOM 450 HA ASN A 28 77.931 88.091 52.684 1.00-13.63 H ATOM 451 C ASN A 28 77.910 90.206 52.444 1.00-13.63 C ATOM 452 O ASN A 28 77.015 90.407 53.255 1.00-13.63 O ATOM 453 CB ASN A 28 79.778 88.906 53.423 1.00-13.63 C ATOM 454 1HB ASN A 28 80.554 89.590 53.084 1.00-13.63 H ATOM 455 2HB ASN A 28 79.373 89.280 54.363 1.00-13.63 H ATOM 456 CG ASN A 28 80.395 87.553 53.679 1.00-13.63 C ATOM 457 OD1 ASN A 28 80.812 86.861 52.768 1.00-13.63 O ATOM 458 ND2 ASN A 28 80.475 87.174 54.925 1.00-13.63 N ATOM 459 1HD2 ASN A 28 80.905 86.285 55.124 1.00-13.63 H ATOM 460 2HD2 ASN A 28 80.116 87.757 55.661 1.00-13.63 H ATOM 461 N TRP A 29 78.270 91.136 51.574 1.00 5.64 N ATOM 462 H TRP A 29 78.957 90.928 50.860 1.00 5.64 H ATOM 463 CA TRP A 29 77.641 92.452 51.590 1.00 5.64 C ATOM 464 HA TRP A 29 77.466 92.740 52.625 1.00 5.64 H ATOM 465 C TRP A 29 76.293 92.376 50.881 1.00 5.64 C ATOM 466 O TRP A 29 75.355 93.068 51.255 1.00 5.64 O ATOM 467 CB TRP A 29 78.553 93.488 50.926 1.00 5.64 C ATOM 468 1HB TRP A 29 79.584 93.261 51.197 1.00 5.64 H ATOM 469 2HB TRP A 29 78.457 93.408 49.844 1.00 5.64 H ATOM 470 CG TRP A 29 78.264 94.903 51.352 1.00 5.64 C ATOM 471 CD1 TRP A 29 77.985 95.342 52.611 1.00 5.64 C ATOM 472 HD1 TRP A 29 77.927 94.697 53.479 1.00 5.64 H ATOM 473 CD2 TRP A 29 78.253 96.084 50.528 1.00 5.64 C ATOM 474 NE1 TRP A 29 77.806 96.697 52.644 1.00 5.64 N ATOM 475 HE1 TRP A 29 77.609 97.230 53.482 1.00 5.64 H ATOM 476 CE2 TRP A 29 77.963 97.190 51.379 1.00 5.64 C ATOM 477 CE3 TRP A 29 78.450 96.322 49.152 1.00 5.64 C ATOM 478 HE3 TRP A 29 78.678 95.506 48.482 1.00 5.64 H ATOM 479 CZ2 TRP A 29 77.852 98.510 50.892 1.00 5.64 C ATOM 480 HZ2 TRP A 29 77.629 99.330 51.559 1.00 5.64 H ATOM 481 CZ3 TRP A 29 78.353 97.652 48.661 1.00 5.64 C ATOM 482 HZ3 TRP A 29 78.512 97.853 47.614 1.00 5.64 H ATOM 483 CH2 TRP A 29 78.048 98.730 49.540 1.00 5.64 C ATOM 484 HH2 TRP A 29 77.974 99.734 49.146 1.00 5.64 H ATOM 485 N VAL A 30 76.186 91.489 49.901 1.00 9.92 N ATOM 486 H VAL A 30 77.008 90.975 49.598 1.00 9.92 H ATOM 487 CA VAL A 30 74.907 91.192 49.254 1.00 9.92 C ATOM 488 HA VAL A 30 74.419 92.122 48.961 1.00 9.92 H ATOM 489 C VAL A 30 74.015 90.479 50.271 1.00 9.92 C ATOM 490 O VAL A 30 72.846 90.821 50.434 1.00 9.92 O ATOM 491 CB VAL A 30 75.123 90.297 47.990 1.00 9.92 C ATOM 492 HB VAL A 30 75.679 89.411 48.285 1.00 9.92 H ATOM 493 CG1 VAL A 30 73.802 89.836 47.381 1.00 9.92 C ATOM 494 1HG1 VAL A 30 73.985 89.278 46.461 1.00 9.92 H ATOM 495 2HG1 VAL A 30 73.151 90.680 47.174 1.00 9.92 H ATOM 496 3HG1 VAL A 30 73.293 89.165 48.071 1.00 9.92 H ATOM 497 CG2 VAL A 30 75.949 91.041 46.924 1.00 9.92 C ATOM 498 1HG2 VAL A 30 76.094 90.389 46.062 1.00 9.92 H ATOM 499 2HG2 VAL A 30 76.924 91.310 47.320 1.00 9.92 H ATOM 500 3HG2 VAL A 30 75.429 91.943 46.608 1.00 9.92 H ATOM 501 N ALA A 31 74.584 89.531 51.002 1.00 -8.70 N ATOM 502 H ALA A 31 75.562 89.305 50.844 1.00 -8.70 H ATOM 503 CA ALA A 31 73.843 88.730 51.972 1.00 -8.70 C ATOM 504 HA ALA A 31 73.062 88.188 51.438 1.00 -8.70 H ATOM 505 C ALA A 31 73.170 89.590 53.036 1.00 -8.70 C ATOM 506 O ALA A 31 71.995 89.415 53.357 1.00 -8.70 O ATOM 507 CB ALA A 31 74.798 87.727 52.622 1.00 -8.70 C ATOM 508 1HB ALA A 31 75.374 87.215 51.855 1.00 -8.70 H ATOM 509 2HB ALA A 31 74.222 86.992 53.176 1.00 -8.70 H ATOM 510 3HB ALA A 31 75.474 88.237 53.308 1.00 -8.70 H ATOM 511 N ASN A 32 73.913 90.573 53.523 1.00-18.79 N ATOM 512 H ASN A 32 74.873 90.658 53.210 1.00-18.79 H ATOM 513 CA ASN A 32 73.422 91.485 54.554 1.00-18.79 C ATOM 514 HA ASN A 32 73.035 90.895 55.387 1.00-18.79 H ATOM 515 C ASN A 32 72.287 92.392 54.074 1.00-18.79 C ATOM 516 O ASN A 32 71.616 93.014 54.888 1.00-18.79 O ATOM 517 CB ASN A 32 74.567 92.368 55.068 1.00-18.79 C ATOM 518 1HB ASN A 32 75.054 92.853 54.223 1.00-18.79 H ATOM 519 2HB ASN A 32 74.147 93.137 55.715 1.00-18.79 H ATOM 520 CG ASN A 32 75.599 91.601 55.869 1.00-18.79 C ATOM 521 OD1 ASN A 32 75.465 90.426 56.155 1.00-18.79 O ATOM 522 ND2 ASN A 32 76.642 92.284 56.256 1.00-18.79 N ATOM 523 1HD2 ASN A 32 77.342 91.806 56.795 1.00-18.79 H ATOM 524 2HD2 ASN A 32 76.722 93.257 56.032 1.00-18.79 H ATOM 525 N LYS A 33 72.075 92.489 52.766 1.00-16.58 N ATOM 526 H LYS A 33 72.666 91.965 52.127 1.00-16.58 H ATOM 527 CA LYS A 33 71.003 93.322 52.207 1.00-16.58 C ATOM 528 HA LYS A 33 70.650 94.020 52.967 1.00-16.58 H ATOM 529 C LYS A 33 69.811 92.491 51.767 1.00-16.58 C ATOM 530 O LYS A 33 68.692 92.982 51.739 1.00-16.58 O ATOM 531 CB LYS A 33 71.535 94.118 51.017 1.00-16.58 C ATOM 532 1HB LYS A 33 71.921 93.418 50.277 1.00-16.58 H ATOM 533 2HB LYS A 33 70.718 94.684 50.567 1.00-16.58 H ATOM 534 CG LYS A 33 72.641 95.079 51.410 1.00-16.58 C ATOM 535 1HG LYS A 33 72.242 95.856 52.062 1.00-16.58 H ATOM 536 2HG LYS A 33 73.412 94.536 51.949 1.00-16.58 H ATOM 537 CD LYS A 33 73.274 95.704 50.195 1.00-16.58 C ATOM 538 1HD LYS A 33 73.539 94.915 49.490 1.00-16.58 H ATOM 539 2HD LYS A 33 72.571 96.391 49.720 1.00-16.58 H ATOM 540 CE LYS A 33 74.537 96.435 50.600 1.00-16.58 C ATOM 541 1HE LYS A 33 74.296 97.205 51.334 1.00-16.58 H ATOM 542 2HE LYS A 33 75.228 95.716 51.047 1.00-16.58 H ATOM 543 NZ LYS A 33 75.169 97.053 49.406 1.00-16.58 N ATOM 544 1HZ LYS A 33 76.115 97.348 49.612 1.00-16.58 H ATOM 545 2HZ LYS A 33 74.624 97.856 49.110 1.00-16.58 H ATOM 546 3HZ LYS A 33 75.177 96.388 48.639 1.00-16.58 H ATOM 547 N LEU A 34 70.049 91.232 51.435 1.00-18.26 N ATOM 548 H LEU A 34 71.004 90.895 51.397 1.00-18.26 H ATOM 549 CA LEU A 34 68.966 90.310 51.094 1.00-18.26 C ATOM 550 HA LEU A 34 68.157 90.864 50.617 1.00-18.26 H ATOM 551 C LEU A 34 68.392 89.637 52.342 1.00-18.26 C ATOM 552 O LEU A 34 67.326 89.036 52.288 1.00-18.26 O ATOM 553 CB LEU A 34 69.463 89.238 50.120 1.00-18.26 C ATOM 554 1HB LEU A 34 70.287 88.729 50.604 1.00-18.26 H ATOM 555 2HB LEU A 34 68.656 88.516 49.993 1.00-18.26 H ATOM 556 CG LEU A 34 69.944 89.634 48.716 1.00-18.26 C ATOM 557 HG LEU A 34 70.788 90.315 48.811 1.00-18.26 H ATOM 558 CD1 LEU A 34 70.415 88.372 47.992 1.00-18.26 C ATOM 559 1HD1 LEU A 34 70.813 88.634 47.011 1.00-18.26 H ATOM 560 2HD1 LEU A 34 69.588 87.671 47.867 1.00-18.26 H ATOM 561 3HD1 LEU A 34 71.206 87.885 48.565 1.00-18.26 H ATOM 562 CD2 LEU A 34 68.863 90.327 47.887 1.00-18.26 C ATOM 563 1HD2 LEU A 34 69.242 90.537 46.888 1.00-18.26 H ATOM 564 2HD2 LEU A 34 68.585 91.272 48.355 1.00-18.26 H ATOM 565 3HD2 LEU A 34 67.981 89.690 47.809 1.00-18.26 H ATOM 566 N GLY A 35 69.091 89.745 53.465 1.00-15.76 N ATOM 567 H GLY A 35 69.979 90.226 53.459 1.00-15.76 H ATOM 568 CA GLY A 35 68.618 89.161 54.714 1.00-15.76 C ATOM 569 1HA GLY A 35 69.118 89.653 55.547 1.00-15.76 H ATOM 570 2HA GLY A 35 67.544 89.331 54.800 1.00-15.76 H ATOM 571 C GLY A 35 68.878 87.669 54.810 1.00-15.76 C ATOM 572 O GLY A 35 68.126 86.932 55.444 1.00-15.76 O ATOM 573 N VAL A 36 69.938 87.217 54.157 1.00 2.83 N ATOM 574 H VAL A 36 70.572 87.880 53.726 1.00 2.83 H ATOM 575 CA VAL A 36 70.254 85.791 54.030 1.00 2.83 C ATOM 576 HA VAL A 36 69.573 85.207 54.649 1.00 2.83 H ATOM 577 C VAL A 36 71.679 85.535 54.505 1.00 2.83 C ATOM 578 O VAL A 36 72.438 86.471 54.736 1.00 2.83 O ATOM 579 CB VAL A 36 70.098 85.319 52.551 1.00 2.83 C ATOM 580 HB VAL A 36 70.349 84.260 52.498 1.00 2.83 H ATOM 581 CG1 VAL A 36 68.647 85.483 52.077 1.00 2.83 C ATOM 582 1HG1 VAL A 36 68.539 85.056 51.079 1.00 2.83 H ATOM 583 2HG1 VAL A 36 68.368 86.538 52.042 1.00 2.83 H ATOM 584 3HG1 VAL A 36 67.973 84.964 52.758 1.00 2.83 H ATOM 585 CG2 VAL A 36 71.036 86.085 51.617 1.00 2.83 C ATOM 586 1HG2 VAL A 36 70.817 85.830 50.580 1.00 2.83 H ATOM 587 2HG2 VAL A 36 72.068 85.814 51.822 1.00 2.83 H ATOM 588 3HG2 VAL A 36 70.924 87.152 51.752 1.00 2.83 H ATOM 589 N SER A 37 72.073 84.277 54.636 1.00 -4.27 N ATOM 590 H SER A 37 71.431 83.519 54.468 1.00 -4.27 H ATOM 591 CA SER A 37 73.473 83.956 54.897 1.00 -4.27 C ATOM 592 HA SER A 37 73.882 84.663 55.618 1.00 -4.27 H ATOM 593 C SER A 37 74.217 84.075 53.560 1.00 -4.27 C ATOM 594 O SER A 37 73.596 83.974 52.501 1.00 -4.27 O ATOM 595 CB SER A 37 73.586 82.533 55.453 1.00 -4.27 C ATOM 596 1HB SER A 37 74.628 82.318 55.689 1.00 -4.27 H ATOM 597 2HB SER A 37 72.995 82.456 56.366 1.00 -4.27 H ATOM 598 OG SER A 37 73.118 81.584 54.512 1.00 -4.27 O ATOM 599 HG SER A 37 73.333 80.694 54.839 1.00 -4.27 H ATOM 600 N PRO A 38 75.558 84.223 53.568 1.00 -2.31 N ATOM 601 CA PRO A 38 76.286 84.263 52.286 1.00 -2.31 C ATOM 602 HA PRO A 38 75.954 85.118 51.700 1.00 -2.31 H ATOM 603 C PRO A 38 76.192 83.011 51.409 1.00 -2.31 C ATOM 604 O PRO A 38 76.650 83.002 50.279 1.00 -2.31 O ATOM 605 CB PRO A 38 77.741 84.473 52.721 1.00 -2.31 C ATOM 606 1HB PRO A 38 78.253 83.513 52.782 1.00 -2.31 H ATOM 607 2HB PRO A 38 78.261 85.139 52.033 1.00 -2.31 H ATOM 608 CG PRO A 38 77.644 85.087 54.058 1.00 -2.31 C ATOM 609 1HG PRO A 38 78.562 84.936 54.625 1.00 -2.31 H ATOM 610 2HG PRO A 38 77.420 86.151 53.964 1.00 -2.31 H ATOM 611 CD PRO A 38 76.497 84.376 54.696 1.00 -2.31 C ATOM 612 1HD PRO A 38 76.807 83.399 55.072 1.00 -2.31 H ATOM 613 2HD PRO A 38 76.069 84.987 55.492 1.00 -2.31 H ATOM 614 N GLN A 39 75.580 81.953 51.919 1.00-20.53 N ATOM 615 H GLN A 39 75.196 82.009 52.846 1.00-20.53 H ATOM 616 CA GLN A 39 75.363 80.721 51.167 1.00-20.53 C ATOM 617 HA GLN A 39 76.292 80.418 50.683 1.00-20.53 H ATOM 618 C GLN A 39 74.279 80.881 50.095 1.00-20.53 C ATOM 619 O GLN A 39 74.107 79.998 49.263 1.00-20.53 O ATOM 620 CB GLN A 39 74.901 79.639 52.144 1.00-20.53 C ATOM 621 1HB GLN A 39 73.982 79.991 52.609 1.00-20.53 H ATOM 622 2HB GLN A 39 74.671 78.727 51.593 1.00-20.53 H ATOM 623 CG GLN A 39 75.902 79.301 53.248 1.00-20.53 C ATOM 624 1HG GLN A 39 76.695 78.680 52.833 1.00-20.53 H ATOM 625 2HG GLN A 39 76.347 80.211 53.644 1.00-20.53 H ATOM 626 CD GLN A 39 75.237 78.583 54.398 1.00-20.53 C ATOM 627 OE1 GLN A 39 74.418 79.159 55.100 1.00-20.53 O ATOM 628 NE2 GLN A 39 75.581 77.343 54.613 1.00-20.53 N ATOM 629 1HE2 GLN A 39 75.146 76.854 55.377 1.00-20.53 H ATOM 630 2HE2 GLN A 39 76.254 76.890 54.019 1.00-20.53 H ATOM 631 N ALA A 40 73.533 81.979 50.143 1.00 -0.95 N ATOM 632 H ALA A 40 73.718 82.683 50.851 1.00 -0.95 H ATOM 633 CA ALA A 40 72.417 82.220 49.230 1.00 -0.95 C ATOM 634 HA ALA A 40 72.512 81.563 48.365 1.00 -0.95 H ATOM 635 C ALA A 40 72.433 83.670 48.727 1.00 -0.95 C ATOM 636 O ALA A 40 71.390 84.320 48.650 1.00 -0.95 O ATOM 637 CB ALA A 40 71.098 81.900 49.958 1.00 -0.95 C ATOM 638 1HB ALA A 40 71.109 80.865 50.299 1.00 -0.95 H ATOM 639 2HB ALA A 40 70.261 82.043 49.274 1.00 -0.95 H ATOM 640 3HB ALA A 40 70.978 82.567 50.812 1.00 -0.95 H ATOM 641 N ALA A 41 73.620 84.179 48.429 1.00 18.41 N ATOM 642 H ALA A 41 74.444 83.590 48.437 1.00 18.41 H ATOM 643 CA ALA A 41 73.810 85.576 48.045 1.00 18.41 C ATOM 644 HA ALA A 41 72.856 86.011 47.745 1.00 18.41 H ATOM 645 C ALA A 41 74.759 85.650 46.856 1.00 18.41 C ATOM 646 O ALA A 41 74.826 86.698 46.178 1.00 18.41 O ATOM 647 OXT ALA A 41 75.434 84.632 46.602 1.00 18.41 O ATOM 648 CB ALA A 41 74.366 86.340 49.236 1.00 18.41 C ATOM 649 1HB ALA A 41 73.637 86.325 50.044 1.00 18.41 H ATOM 650 2HB ALA A 41 74.570 87.367 48.944 1.00 18.41 H ATOM 651 3HB ALA A 41 75.291 85.873 49.567 1.00 18.41 H TER 652 ALA A 41 END
SEQUENCE	GILDTIKSIASKVWNSKTVQDLKRKGINWVANKLGVSPQAA
HELICITY	95.10	INSTAB. INDEX	28.54	FLEXIBILITY	12.63
a HYD. MOM.	34.72	b HYD. MOM.	27.31	c HYD. MOM	3.98
a MEAN HYD. MOM.	0.85	b MEAN HYD. MOM.	0.67	c MEAN HYD. MOM.	0.10
CHARGE pH5	5.14	CHARGE pH7	5.00	CHARGE pH9	4.65
Δ CHARGE pH5-pH9	0.49	ISOELECTRIC POINT	10.30	BOMAN INDEX	1.22
ΔG	24	CPP	-0,44	MLP	-19,29
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Arachnida	ORDER	Scorpiones
FAMILY	Caraboctonidae	GENUS	Hadrurus	SPECIES	Hadrurus aztecus
DATE	2000
TITLE PAPER	Hadrurin, a new antimicrobial peptide from the venom of the scorpion Hadrurus aztecus.