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ID	2291	NAME	TAP_2   Blast NCBI-PROT
LENGTH	38	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\NPVSCVRNKGICVPIRCPGNMKQIGTCVGRAVKCCRKK.pdb REMARK YASARA Written on: Wed May 14 17:53:47 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 587 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.70 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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 39.97500 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-DEFENSIN 2; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: `NOTE:` This template has been downloaded from PDB_REDO (www.cmbi.ru.nl/pdb_redo), since re-refinement improved the structure quality Z-score by 0.519.; SEQRES 1 A 38 ASN PRO VAL SER CYS VAL ARG ASN LYS GLY ILE CYS VAL SEQRES 2 A 38 PRO ILE ARG CYS PRO GLY ASN MET LYS GLN ILE GLY THR SEQRES 3 A 38 CYS VAL GLY ARG ALA VAL LYS CYS CYS ARG LYS LYS CRYST1 54.525 79.950 74.271 90.00 105.30 90.00 P 1 21 1 32 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 0.018340 0.000000 0.005017 0.00000 SCALE2 0.000000 0.012508 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013959 0.00000 SSBOND 1 CYS A 5 CYS A 34 2.03 SSBOND 3 CYS A 12 CYS A 27 2.03 SSBOND 5 CYS A 17 CYS A 35 2.03 ATOM 1 N ASN A 1 -0.572 -32.760 60.081 1.00 -4.38 N ATOM 2 1H ASN A 1 0.247 -32.263 59.752 1.00 -4.38 H ATOM 3 2H ASN A 1 -0.709 -32.563 61.063 1.00 -4.38 H ATOM 4 3H ASN A 1 -1.384 -32.446 59.567 1.00 -4.38 H ATOM 5 CA ASN A 1 -0.375 -34.232 59.887 1.00 -4.38 C ATOM 6 HA ASN A 1 -0.272 -34.431 58.821 1.00 -4.38 H ATOM 7 C ASN A 1 -1.591 -34.966 60.417 1.00 -4.38 C ATOM 8 O ASN A 1 -2.244 -34.429 61.308 1.00 -4.38 O ATOM 9 CB ASN A 1 0.895 -34.721 60.604 1.00 -4.38 C ATOM 10 1HB ASN A 1 0.832 -34.466 61.661 1.00 -4.38 H ATOM 11 2HB ASN A 1 0.964 -35.804 60.513 1.00 -4.38 H ATOM 12 CG ASN A 1 2.156 -34.107 60.034 1.00 -4.38 C ATOM 13 OD1 ASN A 1 2.181 -32.928 59.745 1.00 -4.38 O ATOM 14 ND2 ASN A 1 3.188 -34.888 59.853 1.00 -4.38 N ATOM 15 1HD2 ASN A 1 4.031 -34.483 59.468 1.00 -4.38 H ATOM 16 2HD2 ASN A 1 3.162 -35.863 60.099 1.00 -4.38 H ATOM 17 N PRO A 2 -1.937 -36.160 59.894 1.00 19.58 N ATOM 18 CA PRO A 2 -3.222 -36.718 60.352 1.00 19.58 C ATOM 19 HA PRO A 2 -4.024 -36.023 60.100 1.00 19.58 H ATOM 20 C PRO A 2 -3.319 -37.068 61.836 1.00 19.58 C ATOM 21 O PRO A 2 -4.361 -36.877 62.446 1.00 19.58 O ATOM 22 CB PRO A 2 -3.367 -37.995 59.514 1.00 19.58 C ATOM 23 1HB PRO A 2 -3.000 -38.856 60.073 1.00 19.58 H ATOM 24 2HB PRO A 2 -4.406 -38.148 59.219 1.00 19.58 H ATOM 25 CG PRO A 2 -2.511 -37.761 58.321 1.00 19.58 C ATOM 26 1HG PRO A 2 -2.222 -38.702 57.854 1.00 19.58 H ATOM 27 2HG PRO A 2 -3.032 -37.121 57.608 1.00 19.58 H ATOM 28 CD PRO A 2 -1.321 -37.046 58.887 1.00 19.58 C ATOM 29 1HD PRO A 2 -0.642 -37.754 59.365 1.00 19.58 H ATOM 30 2HD PRO A 2 -0.806 -36.484 58.108 1.00 19.58 H ATOM 31 N VAL A 3 -2.228 -37.522 62.439 1.00 9.06 N ATOM 32 H VAL A 3 -1.393 -37.696 61.907 1.00 9.06 H ATOM 33 CA VAL A 3 -2.230 -37.852 63.868 1.00 9.06 C ATOM 34 HA VAL A 3 -3.021 -38.580 64.060 1.00 9.06 H ATOM 35 C VAL A 3 -2.527 -36.604 64.699 1.00 9.06 C ATOM 36 O VAL A 3 -3.329 -36.630 65.629 1.00 9.06 O ATOM 37 CB VAL A 3 -0.863 -38.468 64.291 1.00 9.06 C ATOM 38 HB VAL A 3 -0.080 -37.732 64.104 1.00 9.06 H ATOM 39 CG1 VAL A 3 -0.842 -38.837 65.782 1.00 9.06 C ATOM 40 1HG1 VAL A 3 0.113 -39.301 66.035 1.00 9.06 H ATOM 41 2HG1 VAL A 3 -1.649 -39.538 66.006 1.00 9.06 H ATOM 42 3HG1 VAL A 3 -0.966 -37.941 66.390 1.00 9.06 H ATOM 43 CG2 VAL A 3 -0.556 -39.718 63.449 1.00 9.06 C ATOM 44 1HG2 VAL A 3 0.375 -40.175 63.790 1.00 9.06 H ATOM 45 2HG2 VAL A 3 -0.439 -39.465 62.397 1.00 9.06 H ATOM 46 3HG2 VAL A 3 -1.361 -40.451 63.554 1.00 9.06 H ATOM 47 N SER A 4 -1.929 -35.482 64.323 1.00 -9.69 N ATOM 48 H SER A 4 -1.286 -35.478 63.551 1.00 -9.69 H ATOM 49 CA SER A 4 -2.172 -34.220 65.011 1.00 -9.69 C ATOM 50 HA SER A 4 -1.953 -34.344 66.071 1.00 -9.69 H ATOM 51 C SER A 4 -3.619 -33.777 64.855 1.00 -9.69 C ATOM 52 O SER A 4 -4.200 -33.193 65.758 1.00 -9.69 O ATOM 53 CB SER A 4 -1.257 -33.150 64.422 1.00 -9.69 C ATOM 54 1HB SER A 4 -1.742 -32.702 63.554 1.00 -9.69 H ATOM 55 2HB SER A 4 -1.072 -32.375 65.168 1.00 -9.69 H ATOM 56 OG SER A 4 -0.036 -33.745 64.006 1.00 -9.69 O ATOM 57 HG SER A 4 0.685 -33.151 64.249 1.00 -9.69 H ATOM 58 N CYS A 5 -4.212 -34.092 63.713 1.00 -1.30 N ATOM 59 H CYS A 5 -3.699 -34.593 63.001 1.00 -1.30 H ATOM 60 CA CYS A 5 -5.601 -33.740 63.461 1.00 -1.30 C ATOM 61 HA CYS A 5 -5.725 -32.675 63.653 1.00 -1.30 H ATOM 62 C CYS A 5 -6.535 -34.503 64.400 1.00 -1.30 C ATOM 63 O CYS A 5 -7.395 -33.904 65.034 1.00 -1.30 O ATOM 64 CB CYS A 5 -5.953 -34.024 61.998 1.00 -1.30 C ATOM 65 1HB CYS A 5 -5.181 -33.593 61.364 1.00 -1.30 H ATOM 66 2HB CYS A 5 -5.978 -35.101 61.837 1.00 -1.30 H ATOM 67 SG CYS A 5 -7.556 -33.334 61.493 1.00 -1.30 S ATOM 68 N VAL A 6 -6.318 -35.802 64.556 1.00 8.75 N ATOM 69 H VAL A 6 -5.588 -36.258 64.016 1.00 8.75 H ATOM 70 CA VAL A 6 -7.131 -36.618 65.465 1.00 8.75 C ATOM 71 HA VAL A 6 -8.183 -36.468 65.218 1.00 8.75 H ATOM 72 C VAL A 6 -6.921 -36.181 66.918 1.00 8.75 C ATOM 73 O VAL A 6 -7.874 -36.091 67.708 1.00 8.75 O ATOM 74 CB VAL A 6 -6.793 -38.131 65.291 1.00 8.75 C ATOM 75 HB VAL A 6 -5.731 -38.275 65.489 1.00 8.75 H ATOM 76 CG1 VAL A 6 -7.593 -39.017 66.261 1.00 8.75 C ATOM 77 1HG1 VAL A 6 -7.366 -40.068 66.075 1.00 8.75 H ATOM 78 2HG1 VAL A 6 -8.664 -38.855 66.121 1.00 8.75 H ATOM 79 3HG1 VAL A 6 -7.326 -38.787 67.291 1.00 8.75 H ATOM 80 CG2 VAL A 6 -7.088 -38.585 63.850 1.00 8.75 C ATOM 81 1HG2 VAL A 6 -6.858 -39.645 63.741 1.00 8.75 H ATOM 82 2HG2 VAL A 6 -6.480 -38.031 63.139 1.00 8.75 H ATOM 83 3HG2 VAL A 6 -8.142 -38.423 63.613 1.00 8.75 H ATOM 84 N ARG A 7 -5.694 -35.831 67.285 1.00-23.00 N ATOM 85 H ARG A 7 -4.927 -35.929 66.621 1.00-23.00 H ATOM 86 CA ARG A 7 -5.436 -35.302 68.631 1.00-23.00 C ATOM 87 HA ARG A 7 -5.784 -36.022 69.367 1.00-23.00 H ATOM 88 C ARG A 7 -6.206 -34.009 68.864 1.00-23.00 C ATOM 89 O ARG A 7 -6.794 -33.828 69.928 1.00-23.00 O ATOM 90 CB ARG A 7 -3.944 -35.046 68.857 1.00-23.00 C ATOM 91 1HB ARG A 7 -3.555 -34.456 68.028 1.00-23.00 H ATOM 92 2HB ARG A 7 -3.832 -34.463 69.772 1.00-23.00 H ATOM 93 CG ARG A 7 -3.117 -36.315 69.005 1.00-23.00 C ATOM 94 1HG ARG A 7 -3.479 -36.876 69.866 1.00-23.00 H ATOM 95 2HG ARG A 7 -3.225 -36.931 68.116 1.00-23.00 H ATOM 96 CD ARG A 7 -1.648 -35.984 69.207 1.00-23.00 C ATOM 97 1HD ARG A 7 -1.297 -35.396 68.357 1.00-23.00 H ATOM 98 2HD ARG A 7 -1.544 -35.390 70.116 1.00-23.00 H ATOM 99 NE ARG A 7 -0.833 -37.204 69.326 1.00-23.00 N ATOM 100 HE ARG A 7 -1.324 -38.078 69.232 1.00-23.00 H ATOM 101 CZ ARG A 7 0.473 -37.259 69.553 1.00-23.00 C ATOM 102 NH1 ARG A 7 1.050 -38.427 69.619 1.00-23.00 N ATOM 103 1HH1 ARG A 7 0.512 -39.269 69.506 1.00-23.00 H ATOM 104 2HH1 ARG A 7 2.039 -38.492 69.795 1.00-23.00 H ATOM 105 NH2 ARG A 7 1.226 -36.200 69.720 1.00-23.00 N ATOM 106 1HH2 ARG A 7 0.808 -35.285 69.694 1.00-23.00 H ATOM 107 2HH2 ARG A 7 2.212 -36.297 69.887 1.00-23.00 H ATOM 108 N ASN A 8 -6.274 -33.160 67.852 1.00 -9.42 N ATOM 109 H ASN A 8 -5.794 -33.383 66.986 1.00 -9.42 H ATOM 110 CA ASN A 8 -6.955 -31.870 67.954 1.00 -9.42 C ATOM 111 HA ASN A 8 -6.896 -31.532 68.990 1.00 -9.42 H ATOM 112 C ASN A 8 -8.439 -31.950 67.584 1.00 -9.42 C ATOM 113 O ASN A 8 -9.115 -30.918 67.479 1.00 -9.42 O ATOM 114 CB ASN A 8 -6.236 -30.841 67.074 1.00 -9.42 C ATOM 115 1HB ASN A 8 -6.202 -31.206 66.048 1.00 -9.42 H ATOM 116 2HB ASN A 8 -6.791 -29.908 67.096 1.00 -9.42 H ATOM 117 CG ASN A 8 -4.831 -30.545 67.544 1.00 -9.42 C ATOM 118 OD1 ASN A 8 -4.446 -30.863 68.656 1.00 -9.42 O ATOM 119 ND2 ASN A 8 -4.068 -29.888 66.714 1.00 -9.42 N ATOM 120 1HD2 ASN A 8 -3.139 -29.649 67.015 1.00 -9.42 H ATOM 121 2HD2 ASN A 8 -4.410 -29.623 65.808 1.00 -9.42 H ATOM 122 N LYS A 9 -8.936 -33.174 67.428 1.00 9.28 N ATOM 123 H LYS A 9 -8.291 -33.954 67.473 1.00 9.28 H ATOM 124 CA LYS A 9 -10.353 -33.492 67.184 1.00 9.28 C ATOM 125 HA LYS A 9 -10.411 -34.566 67.019 1.00 9.28 H ATOM 126 C LYS A 9 -10.915 -32.876 65.911 1.00 9.28 C ATOM 127 O LYS A 9 -12.065 -32.435 65.851 1.00 9.28 O ATOM 128 CB LYS A 9 -11.213 -33.173 68.420 1.00 9.28 C ATOM 129 1HB LYS A 9 -11.216 -32.094 68.574 1.00 9.28 H ATOM 130 2HB LYS A 9 -12.239 -33.493 68.233 1.00 9.28 H ATOM 131 CG LYS A 9 -10.722 -33.846 69.709 1.00 9.28 C ATOM 132 1HG LYS A 9 -9.682 -33.573 69.876 1.00 9.28 H ATOM 133 2HG LYS A 9 -11.307 -33.472 70.549 1.00 9.28 H ATOM 134 CD LYS A 9 -10.856 -35.376 69.668 1.00 9.28 C ATOM 135 1HD LYS A 9 -11.915 -35.635 69.686 1.00 9.28 H ATOM 136 2HD LYS A 9 -10.419 -35.770 68.752 1.00 9.28 H ATOM 137 CE LYS A 9 -10.150 -36.038 70.839 1.00 9.28 C ATOM 138 1HE LYS A 9 -10.453 -35.557 71.772 1.00 9.28 H ATOM 139 2HE LYS A 9 -10.435 -37.092 70.872 1.00 9.28 H ATOM 140 NZ LYS A 9 -8.662 -35.936 70.658 1.00 9.28 N ATOM 141 1HZ LYS A 9 -8.183 -36.442 71.389 1.00 9.28 H ATOM 142 2HZ LYS A 9 -8.367 -34.964 70.682 1.00 9.28 H ATOM 143 3HZ LYS A 9 -8.400 -36.314 69.752 1.00 9.28 H ATOM 144 N GLY A 10 -10.093 -32.905 64.878 1.00 -0.95 N ATOM 145 H GLY A 10 -9.150 -33.270 64.990 1.00 -0.95 H ATOM 146 CA GLY A 10 -10.531 -32.563 63.540 1.00 -0.95 C ATOM 147 1HA GLY A 10 -11.504 -32.088 63.574 1.00 -0.95 H ATOM 148 2HA GLY A 10 -9.819 -31.882 63.081 1.00 -0.95 H ATOM 149 C GLY A 10 -10.638 -33.815 62.699 1.00 -0.95 C ATOM 150 O GLY A 10 -10.143 -34.875 63.077 1.00 -0.95 O ATOM 151 N ILE A 11 -11.279 -33.674 61.550 1.00-19.08 N ATOM 152 H ILE A 11 -11.681 -32.769 61.320 1.00-19.08 H ATOM 153 CA ILE A 11 -11.457 -34.743 60.573 1.00-19.08 C ATOM 154 HA ILE A 11 -11.008 -35.670 60.927 1.00-19.08 H ATOM 155 C ILE A 11 -10.713 -34.236 59.343 1.00-19.08 C ATOM 156 O ILE A 11 -10.839 -33.060 58.995 1.00-19.08 O ATOM 157 CB ILE A 11 -12.972 -34.968 60.262 1.00-19.08 C ATOM 158 HB ILE A 11 -13.389 -34.029 59.897 1.00-19.08 H ATOM 159 CG1 ILE A 11 -13.720 -35.361 61.557 1.00-19.08 C ATOM 160 1HG1 ILE A 11 -13.346 -36.330 61.888 1.00-19.08 H ATOM 161 2HG1 ILE A 11 -13.491 -34.633 62.334 1.00-19.08 H ATOM 162 CG2 ILE A 11 -13.161 -36.049 59.162 1.00-19.08 C ATOM 163 1HG2 ILE A 11 -14.217 -36.162 58.919 1.00-19.08 H ATOM 164 2HG2 ILE A 11 -12.770 -37.010 59.502 1.00-19.08 H ATOM 165 3HG2 ILE A 11 -12.645 -35.754 58.247 1.00-19.08 H ATOM 166 CD1 ILE A 11 -15.254 -35.444 61.454 1.00-19.08 C ATOM 167 1HD1 ILE A 11 -15.669 -35.628 62.445 1.00-19.08 H ATOM 168 2HD1 ILE A 11 -15.544 -36.263 60.796 1.00-19.08 H ATOM 169 3HD1 ILE A 11 -15.653 -34.507 61.068 1.00-19.08 H ATOM 170 N CYS A 12 -9.919 -35.080 58.703 1.00-12.72 N ATOM 171 H CYS A 12 -9.814 -36.023 59.037 1.00-12.72 H ATOM 172 CA CYS A 12 -9.230 -34.682 57.479 1.00-12.72 C ATOM 173 HA CYS A 12 -8.780 -33.708 57.634 1.00-12.72 H ATOM 174 C CYS A 12 -10.216 -34.598 56.311 1.00-12.72 C ATOM 175 O CYS A 12 -10.932 -35.561 56.049 1.00-12.72 O ATOM 176 CB CYS A 12 -8.130 -35.691 57.146 1.00-12.72 C ATOM 177 1HB CYS A 12 -8.584 -36.677 57.038 1.00-12.72 H ATOM 178 2HB CYS A 12 -7.684 -35.416 56.194 1.00-12.72 H ATOM 179 SG CYS A 12 -6.818 -35.770 58.408 1.00-12.72 S ATOM 180 N VAL A 13 -10.251 -33.472 55.608 1.00 4.64 N ATOM 181 H VAL A 13 -9.632 -32.705 55.871 1.00 4.64 H ATOM 182 CA VAL A 13 -11.159 -33.271 54.468 1.00 4.64 C ATOM 183 HA VAL A 13 -11.570 -34.234 54.173 1.00 4.64 H ATOM 184 C VAL A 13 -10.318 -32.692 53.322 1.00 4.64 C ATOM 185 O VAL A 13 -9.530 -31.778 53.552 1.00 4.64 O ATOM 186 CB VAL A 13 -12.343 -32.322 54.841 1.00 4.64 C ATOM 187 HB VAL A 13 -11.943 -31.335 55.068 1.00 4.64 H ATOM 188 CG1 VAL A 13 -13.343 -32.201 53.684 1.00 4.64 C ATOM 189 1HG1 VAL A 13 -14.152 -31.530 53.963 1.00 4.64 H ATOM 190 2HG1 VAL A 13 -13.760 -33.179 53.438 1.00 4.64 H ATOM 191 3HG1 VAL A 13 -12.853 -31.780 52.809 1.00 4.64 H ATOM 192 CG2 VAL A 13 -13.094 -32.840 56.087 1.00 4.64 C ATOM 193 1HG2 VAL A 13 -13.966 -32.221 56.288 1.00 4.64 H ATOM 194 2HG2 VAL A 13 -12.440 -32.795 56.957 1.00 4.64 H ATOM 195 3HG2 VAL A 13 -13.411 -33.873 55.935 1.00 4.64 H ATOM 196 N PRO A 14 -10.396 -33.250 52.098 1.00 26.55 N ATOM 197 CA PRO A 14 -9.236 -33.020 51.223 1.00 26.55 C ATOM 198 HA PRO A 14 -8.334 -33.248 51.778 1.00 26.55 H ATOM 199 C PRO A 14 -8.996 -31.670 50.542 1.00 26.55 C ATOM 200 O PRO A 14 -7.903 -31.470 50.032 1.00 26.55 O ATOM 201 CB PRO A 14 -9.414 -34.101 50.153 1.00 26.55 C ATOM 202 1HB PRO A 14 -8.980 -33.789 49.203 1.00 26.55 H ATOM 203 2HB PRO A 14 -8.967 -35.039 50.483 1.00 26.55 H ATOM 204 CG PRO A 14 -10.875 -34.260 50.049 1.00 26.55 C ATOM 205 1HG PRO A 14 -11.307 -33.431 49.487 1.00 26.55 H ATOM 206 2HG PRO A 14 -11.130 -35.213 49.585 1.00 26.55 H ATOM 207 CD PRO A 14 -11.319 -34.227 51.488 1.00 26.55 C ATOM 208 1HD PRO A 14 -12.354 -33.895 51.559 1.00 26.55 H ATOM 209 2HD PRO A 14 -11.192 -35.208 51.951 1.00 26.55 H ATOM 210 N ILE A 15 -9.970 -30.767 50.481 1.00 10.50 N ATOM 211 H ILE A 15 -10.850 -30.966 50.922 1.00 10.50 H ATOM 212 CA ILE A 15 -9.778 -29.501 49.747 1.00 10.50 C ATOM 213 HA ILE A 15 -8.715 -29.379 49.537 1.00 10.50 H ATOM 214 C ILE A 15 -10.223 -28.271 50.545 1.00 10.50 C ATOM 215 O ILE A 15 -9.520 -27.263 50.625 1.00 10.50 O ATOM 216 CB ILE A 15 -10.537 -29.511 48.367 1.00 10.50 C ATOM 217 HB ILE A 15 -11.610 -29.515 48.561 1.00 10.50 H ATOM 218 CG1 ILE A 15 -10.193 -30.774 47.543 1.00 10.50 C ATOM 219 1HG1 ILE A 15 -9.135 -30.741 47.282 1.00 10.50 H ATOM 220 2HG1 ILE A 15 -10.356 -31.655 48.157 1.00 10.50 H ATOM 221 CG2 ILE A 15 -10.183 -28.245 47.533 1.00 10.50 C ATOM 222 1HG2 ILE A 15 -10.787 -28.204 46.627 1.00 10.50 H ATOM 223 2HG2 ILE A 15 -9.126 -28.265 47.257 1.00 10.50 H ATOM 224 3HG2 ILE A 15 -10.373 -27.340 48.105 1.00 10.50 H ATOM 225 CD1 ILE A 15 -11.006 -30.980 46.255 1.00 10.50 C ATOM 226 1HD1 ILE A 15 -10.761 -31.954 45.830 1.00 10.50 H ATOM 227 2HD1 ILE A 15 -10.761 -30.211 45.523 1.00 10.50 H ATOM 228 3HD1 ILE A 15 -12.073 -30.949 46.478 1.00 10.50 H ATOM 229 N ARG A 16 -11.407 -28.335 51.138 1.00 -0.79 N ATOM 230 H ARG A 16 -11.953 -29.184 51.089 1.00 -0.79 H ATOM 231 CA ARG A 16 -11.979 -27.234 51.917 1.00 -0.79 C ATOM 232 HA ARG A 16 -11.204 -26.592 52.332 1.00 -0.79 H ATOM 233 C ARG A 16 -12.721 -27.954 53.015 1.00 -0.79 C ATOM 234 O ARG A 16 -13.112 -29.093 52.795 1.00 -0.79 O ATOM 235 CB ARG A 16 -12.998 -26.425 51.100 1.00 -0.79 C ATOM 236 1HB ARG A 16 -13.698 -27.124 50.641 1.00 -0.79 H ATOM 237 2HB ARG A 16 -13.556 -25.791 51.789 1.00 -0.79 H ATOM 238 CG ARG A 16 -12.402 -25.539 50.010 1.00 -0.79 C ATOM 239 1HG ARG A 16 -11.813 -24.748 50.474 1.00 -0.79 H ATOM 240 2HG ARG A 16 -11.750 -26.138 49.379 1.00 -0.79 H ATOM 241 CD ARG A 16 -13.483 -24.917 49.129 1.00 -0.79 C ATOM 242 1HD ARG A 16 -12.997 -24.361 48.325 1.00 -0.79 H ATOM 243 2HD ARG A 16 -14.076 -25.719 48.687 1.00 -0.79 H ATOM 244 NE ARG A 16 -14.377 -24.012 49.871 1.00 -0.79 N ATOM 245 HE ARG A 16 -14.187 -23.902 50.854 1.00 -0.79 H ATOM 246 CZ ARG A 16 -15.407 -23.340 49.372 1.00 -0.79 C ATOM 247 NH1 ARG A 16 -16.116 -22.592 50.173 1.00 -0.79 N ATOM 248 1HH1 ARG A 16 -15.889 -22.537 51.151 1.00 -0.79 H ATOM 249 2HH1 ARG A 16 -16.894 -22.066 49.813 1.00 -0.79 H ATOM 250 NH2 ARG A 16 -15.757 -23.382 48.111 1.00 -0.79 N ATOM 251 1HH2 ARG A 16 -15.233 -23.952 47.469 1.00 -0.79 H ATOM 252 2HH2 ARG A 16 -16.541 -22.845 47.781 1.00 -0.79 H ATOM 253 N CYS A 17 -12.948 -27.304 54.142 1.00 -6.23 N ATOM 254 H CYS A 17 -12.587 -26.379 54.285 1.00 -6.23 H ATOM 255 CA CYS A 17 -13.812 -27.879 55.163 1.00 -6.23 C ATOM 256 HA CYS A 17 -13.571 -28.933 55.273 1.00 -6.23 H ATOM 257 C CYS A 17 -15.266 -27.724 54.716 1.00 -6.23 C ATOM 258 O CYS A 17 -15.588 -26.762 54.005 1.00 -6.23 O ATOM 259 CB CYS A 17 -13.608 -27.166 56.504 1.00 -6.23 C ATOM 260 1HB CYS A 17 -13.819 -26.103 56.382 1.00 -6.23 H ATOM 261 2HB CYS A 17 -14.320 -27.569 57.225 1.00 -6.23 H ATOM 262 SG CYS A 17 -11.926 -27.380 57.166 1.00 -6.23 S ATOM 263 N PRO A 18 -16.155 -28.641 55.137 1.00 -6.24 N ATOM 264 CA PRO A 18 -17.590 -28.401 54.945 1.00 -6.24 C ATOM 265 HA PRO A 18 -17.825 -28.276 53.888 1.00 -6.24 H ATOM 266 C PRO A 18 -18.078 -27.201 55.752 1.00 -6.24 C ATOM 267 O PRO A 18 -17.379 -26.695 56.633 1.00 -6.24 O ATOM 268 CB PRO A 18 -18.233 -29.679 55.499 1.00 -6.24 C ATOM 269 1HB PRO A 18 -18.549 -29.518 56.530 1.00 -6.24 H ATOM 270 2HB PRO A 18 -19.077 -29.989 54.883 1.00 -6.24 H ATOM 271 CG PRO A 18 -17.150 -30.695 55.458 1.00 -6.24 C ATOM 272 1HG PRO A 18 -17.346 -31.509 56.156 1.00 -6.24 H ATOM 273 2HG PRO A 18 -17.028 -31.073 54.443 1.00 -6.24 H ATOM 274 CD PRO A 18 -15.948 -29.905 55.866 1.00 -6.24 C ATOM 275 1HD PRO A 18 -15.940 -29.726 56.941 1.00 -6.24 H ATOM 276 2HD PRO A 18 -15.038 -30.407 55.548 1.00 -6.24 H ATOM 277 N GLY A 19 -19.306 -26.774 55.492 1.00 1.06 N ATOM 278 H GLY A 19 -19.862 -27.221 54.783 1.00 1.06 H ATOM 279 CA GLY A 19 -19.881 -25.701 56.283 1.00 1.06 C ATOM 280 1HA GLY A 19 -19.201 -24.850 56.266 1.00 1.06 H ATOM 281 2HA GLY A 19 -20.844 -25.401 55.871 1.00 1.06 H ATOM 282 C GLY A 19 -20.063 -26.153 57.720 1.00 1.06 C ATOM 283 O GLY A 19 -20.215 -27.345 57.995 1.00 1.06 O ATOM 284 N ASN A 20 -20.018 -25.192 58.635 1.00 -8.60 N ATOM 285 H ASN A 20 -19.907 -24.238 58.326 1.00 -8.60 H ATOM 286 CA ASN A 20 -20.086 -25.426 60.083 1.00 -8.60 C ATOM 287 HA ASN A 20 -19.923 -24.463 60.568 1.00 -8.60 H ATOM 288 C ASN A 20 -18.987 -26.362 60.595 1.00 -8.60 C ATOM 289 O ASN A 20 -19.174 -27.081 61.580 1.00 -8.60 O ATOM 290 CB ASN A 20 -21.482 -25.905 60.514 1.00 -8.60 C ATOM 291 1HB ASN A 20 -21.694 -26.867 60.055 1.00 -8.60 H ATOM 292 2HB ASN A 20 -21.498 -26.023 61.597 1.00 -8.60 H ATOM 293 CG ASN A 20 -22.560 -24.928 60.139 1.00 -8.60 C ATOM 294 OD1 ASN A 20 -22.393 -23.730 60.274 1.00 -8.60 O ATOM 295 ND2 ASN A 20 -23.664 -25.421 59.651 1.00 -8.60 N ATOM 296 1HD2 ASN A 20 -24.400 -24.780 59.404 1.00 -8.60 H ATOM 297 2HD2 ASN A 20 -23.766 -26.411 59.522 1.00 -8.60 H ATOM 298 N MET A 21 -17.833 -26.341 59.943 1.00 16.14 N ATOM 299 H MET A 21 -17.739 -25.809 59.086 1.00 16.14 H ATOM 300 CA MET A 21 -16.627 -27.002 60.433 1.00 16.14 C ATOM 301 HA MET A 21 -16.733 -27.238 61.492 1.00 16.14 H ATOM 302 C MET A 21 -15.515 -25.978 60.261 1.00 16.14 C ATOM 303 O MET A 21 -15.607 -25.128 59.378 1.00 16.14 O ATOM 304 CB MET A 21 -16.327 -28.287 59.655 1.00 16.14 C ATOM 305 1HB MET A 21 -16.251 -28.061 58.594 1.00 16.14 H ATOM 306 2HB MET A 21 -15.371 -28.675 59.999 1.00 16.14 H ATOM 307 CG MET A 21 -17.393 -29.350 59.867 1.00 16.14 C ATOM 308 1HG MET A 21 -17.529 -29.475 60.937 1.00 16.14 H ATOM 309 2HG MET A 21 -18.332 -28.985 59.448 1.00 16.14 H ATOM 310 SD MET A 21 -17.044 -30.970 59.152 1.00 16.14 S ATOM 311 CE MET A 21 -15.711 -31.607 60.169 1.00 16.14 C ATOM 312 1HE MET A 21 -15.359 -32.552 59.755 1.00 16.14 H ATOM 313 2HE MET A 21 -16.058 -31.768 61.187 1.00 16.14 H ATOM 314 3HE MET A 21 -14.883 -30.901 60.182 1.00 16.14 H ATOM 315 N LYS A 22 -14.499 -26.015 61.112 1.00-15.14 N ATOM 316 H LYS A 22 -14.462 -26.759 61.809 1.00-15.14 H ATOM 317 CA LYS A 22 -13.438 -25.001 61.100 1.00-15.14 C ATOM 318 HA LYS A 22 -13.677 -24.233 60.365 1.00-15.14 H ATOM 319 C LYS A 22 -12.088 -25.587 60.743 1.00-15.14 C ATOM 320 O LYS A 22 -11.707 -26.617 61.286 1.00-15.14 O ATOM 321 CB LYS A 22 -13.328 -24.345 62.477 1.00-15.14 C ATOM 322 1HB LYS A 22 -13.182 -25.122 63.229 1.00-15.14 H ATOM 323 2HB LYS A 22 -12.451 -23.697 62.476 1.00-15.14 H ATOM 324 CG LYS A 22 -14.540 -23.506 62.854 1.00-15.14 C ATOM 325 1HG LYS A 22 -14.707 -22.759 62.078 1.00-15.14 H ATOM 326 2HG LYS A 22 -15.418 -24.148 62.931 1.00-15.14 H ATOM 327 CD LYS A 22 -14.305 -22.799 64.182 1.00-15.14 C ATOM 328 1HD LYS A 22 -14.173 -23.549 64.965 1.00-15.14 H ATOM 329 2HD LYS A 22 -13.393 -22.206 64.110 1.00-15.14 H ATOM 330 CE LYS A 22 -15.459 -21.871 64.557 1.00-15.14 C ATOM 331 1HE LYS A 22 -15.193 -21.345 65.476 1.00-15.14 H ATOM 332 2HE LYS A 22 -15.597 -21.136 63.762 1.00-15.14 H ATOM 333 NZ LYS A 22 -16.743 -22.613 64.777 1.00-15.14 N ATOM 334 1HZ LYS A 22 -17.458 -21.992 65.122 1.00-15.14 H ATOM 335 2HZ LYS A 22 -16.586 -23.355 65.463 1.00-15.14 H ATOM 336 3HZ LYS A 22 -17.045 -23.044 63.917 1.00-15.14 H ATOM 337 N GLN A 23 -11.353 -24.914 59.871 1.00 -4.78 N ATOM 338 H GLN A 23 -11.713 -24.068 59.465 1.00 -4.78 H ATOM 339 CA GLN A 23 -9.990 -25.327 59.539 1.00 -4.78 C ATOM 340 HA GLN A 23 -9.969 -26.394 59.322 1.00 -4.78 H ATOM 341 C GLN A 23 -9.130 -25.035 60.765 1.00 -4.78 C ATOM 342 O GLN A 23 -8.959 -23.879 61.134 1.00 -4.78 O ATOM 343 CB GLN A 23 -9.455 -24.532 58.337 1.00 -4.78 C ATOM 344 1HB GLN A 23 -10.116 -24.686 57.484 1.00 -4.78 H ATOM 345 2HB GLN A 23 -9.483 -23.475 58.599 1.00 -4.78 H ATOM 346 CG GLN A 23 -8.020 -24.881 57.919 1.00 -4.78 C ATOM 347 1HG GLN A 23 -7.388 -24.908 58.805 1.00 -4.78 H ATOM 348 2HG GLN A 23 -8.008 -25.867 57.454 1.00 -4.78 H ATOM 349 CD GLN A 23 -7.427 -23.858 56.966 1.00 -4.78 C ATOM 350 OE1 GLN A 23 -7.343 -24.072 55.761 1.00 -4.78 O ATOM 351 NE2 GLN A 23 -6.994 -22.745 57.497 1.00 -4.78 N ATOM 352 1HE2 GLN A 23 -6.593 -22.045 56.897 1.00 -4.78 H ATOM 353 2HE2 GLN A 23 -7.071 -22.591 58.490 1.00 -4.78 H ATOM 354 N ILE A 24 -8.585 -26.074 61.379 1.00 -2.61 N ATOM 355 H ILE A 24 -8.787 -27.012 61.036 1.00 -2.61 H ATOM 356 CA ILE A 24 -7.726 -25.937 62.559 1.00 -2.61 C ATOM 357 HA ILE A 24 -7.663 -24.886 62.842 1.00 -2.61 H ATOM 358 C ILE A 24 -6.304 -26.399 62.249 1.00 -2.61 C ATOM 359 O ILE A 24 -5.465 -26.545 63.133 1.00 -2.61 O ATOM 360 CB ILE A 24 -8.297 -26.721 63.769 1.00 -2.61 C ATOM 361 HB ILE A 24 -7.589 -26.629 64.592 1.00 -2.61 H ATOM 362 CG1 ILE A 24 -8.457 -28.212 63.417 1.00 -2.61 C ATOM 363 1HG1 ILE A 24 -9.391 -28.352 62.873 1.00 -2.61 H ATOM 364 2HG1 ILE A 24 -7.641 -28.513 62.764 1.00 -2.61 H ATOM 365 CG2 ILE A 24 -9.638 -26.100 64.227 1.00 -2.61 C ATOM 366 1HG2 ILE A 24 -9.973 -26.575 65.146 1.00 -2.61 H ATOM 367 2HG2 ILE A 24 -10.401 -26.226 63.460 1.00 -2.61 H ATOM 368 3HG2 ILE A 24 -9.503 -25.033 64.415 1.00 -2.61 H ATOM 369 CD1 ILE A 24 -8.437 -29.139 64.613 1.00 -2.61 C ATOM 370 1HD1 ILE A 24 -8.606 -30.164 64.286 1.00 -2.61 H ATOM 371 2HD1 ILE A 24 -9.207 -28.862 65.325 1.00 -2.61 H ATOM 372 3HD1 ILE A 24 -7.463 -29.077 65.093 1.00 -2.61 H ATOM 373 N GLY A 25 -6.038 -26.651 60.977 1.00 -1.14 N ATOM 374 H GLY A 25 -6.759 -26.557 60.279 1.00 -1.14 H ATOM 375 CA GLY A 25 -4.719 -27.081 60.553 1.00 -1.14 C ATOM 376 1HA GLY A 25 -4.061 -26.218 60.449 1.00 -1.14 H ATOM 377 2HA GLY A 25 -4.301 -27.767 61.291 1.00 -1.14 H ATOM 378 C GLY A 25 -4.844 -27.797 59.230 1.00 -1.14 C ATOM 379 O GLY A 25 -5.877 -27.685 58.560 1.00 -1.14 O ATOM 380 N THR A 26 -3.831 -28.569 58.872 1.00 8.63 N ATOM 381 H THR A 26 -3.003 -28.622 59.448 1.00 8.63 H ATOM 382 CA THR A 26 -3.863 -29.406 57.679 1.00 8.63 C ATOM 383 HA THR A 26 -4.865 -29.428 57.257 1.00 8.63 H ATOM 384 C THR A 26 -3.470 -30.815 58.095 1.00 8.63 C ATOM 385 O THR A 26 -2.811 -31.021 59.122 1.00 8.63 O ATOM 386 CB THR A 26 -2.871 -28.914 56.600 1.00 8.63 C ATOM 387 HB THR A 26 -2.889 -29.597 55.752 1.00 8.63 H ATOM 388 OG1 THR A 26 -1.556 -28.887 57.159 1.00 8.63 O ATOM 389 HG1 THR A 26 -0.985 -28.392 56.564 1.00 8.63 H ATOM 390 CG2 THR A 26 -3.204 -27.512 56.115 1.00 8.63 C ATOM 391 1HG2 THR A 26 -2.549 -27.254 55.284 1.00 8.63 H ATOM 392 2HG2 THR A 26 -3.064 -26.791 56.921 1.00 8.63 H ATOM 393 3HG2 THR A 26 -4.240 -27.478 55.774 1.00 8.63 H ATOM 394 N CYS A 27 -3.829 -31.800 57.288 1.00 24.25 N ATOM 395 H CYS A 27 -4.382 -31.591 56.454 1.00 24.25 H ATOM 396 CA CYS A 27 -3.414 -33.174 57.534 1.00 24.25 C ATOM 397 HA CYS A 27 -3.183 -33.291 58.591 1.00 24.25 H ATOM 398 C CYS A 27 -2.148 -33.477 56.744 1.00 24.25 C ATOM 399 O CYS A 27 -1.693 -34.607 56.752 1.00 24.25 O ATOM 400 CB CYS A 27 -4.525 -34.164 57.205 1.00 24.25 C ATOM 401 1HB CYS A 27 -4.841 -34.028 56.175 1.00 24.25 H ATOM 402 2HB CYS A 27 -4.142 -35.177 57.324 1.00 24.25 H ATOM 403 SG CYS A 27 -5.939 -33.942 58.325 1.00 24.25 S ATOM 404 N VAL A 28 -1.575 -32.449 56.129 1.00 36.83 N ATOM 405 H VAL A 28 -2.054 -31.561 56.155 1.00 36.83 H ATOM 406 CA VAL A 28 -0.283 -32.461 55.418 1.00 36.83 C ATOM 407 HA VAL A 28 -0.124 -31.426 55.118 1.00 36.83 H ATOM 408 C VAL A 28 -0.244 -33.226 54.088 1.00 36.83 C ATOM 409 O VAL A 28 0.660 -33.033 53.278 1.00 36.83 O ATOM 410 CB VAL A 28 0.910 -32.785 56.387 1.00 36.83 C ATOM 411 HB VAL A 28 0.517 -32.744 57.401 1.00 36.83 H ATOM 412 CG1 VAL A 28 1.524 -34.183 56.185 1.00 36.83 C ATOM 413 1HG1 VAL A 28 2.271 -34.370 56.956 1.00 36.83 H ATOM 414 2HG1 VAL A 28 2.015 -34.240 55.210 1.00 36.83 H ATOM 415 3HG1 VAL A 28 0.755 -34.951 56.238 1.00 36.83 H ATOM 416 CG2 VAL A 28 1.987 -31.710 56.286 1.00 36.83 C ATOM 417 1HG2 VAL A 28 2.783 -31.913 57.005 1.00 36.83 H ATOM 418 2HG2 VAL A 28 1.564 -30.730 56.508 1.00 36.83 H ATOM 419 3HG2 VAL A 28 2.412 -31.698 55.279 1.00 36.83 H ATOM 420 N GLY A 29 -1.294 -33.978 53.790 1.00 20.33 N ATOM 421 H GLY A 29 -1.978 -34.184 54.497 1.00 20.33 H ATOM 422 CA GLY A 29 -1.517 -34.418 52.424 1.00 20.33 C ATOM 423 1HA GLY A 29 -0.618 -34.903 52.044 1.00 20.33 H ATOM 424 2HA GLY A 29 -2.352 -35.117 52.386 1.00 20.33 H ATOM 425 C GLY A 29 -1.834 -33.202 51.569 1.00 20.33 C ATOM 426 O GLY A 29 -2.190 -32.151 52.108 1.00 20.33 O ATOM 427 N ARG A 30 -1.727 -33.331 50.250 1.00-21.58 N ATOM 428 H ARG A 30 -1.491 -34.234 49.870 1.00-21.58 H ATOM 429 CA ARG A 30 -1.929 -32.211 49.317 1.00-21.58 C ATOM 430 HA ARG A 30 -1.139 -31.480 49.484 1.00-21.58 H ATOM 431 C ARG A 30 -3.270 -31.512 49.529 1.00-21.58 C ATOM 432 O ARG A 30 -4.308 -32.084 49.239 1.00-21.58 O ATOM 433 CB ARG A 30 -1.843 -32.722 47.872 1.00-21.58 C ATOM 434 1HB ARG A 30 -0.902 -33.258 47.748 1.00-21.58 H ATOM 435 2HB ARG A 30 -2.660 -33.426 47.708 1.00-21.58 H ATOM 436 CG ARG A 30 -1.930 -31.632 46.803 1.00-21.58 C ATOM 437 1HG ARG A 30 -2.858 -31.073 46.931 1.00-21.58 H ATOM 438 2HG ARG A 30 -1.085 -30.952 46.909 1.00-21.58 H ATOM 439 CD ARG A 30 -1.921 -32.243 45.408 1.00-21.58 C ATOM 440 1HD ARG A 30 -0.995 -32.804 45.275 1.00-21.58 H ATOM 441 2HD ARG A 30 -2.767 -32.927 45.322 1.00-21.58 H ATOM 442 NE ARG A 30 -2.026 -31.214 44.360 1.00-21.58 N ATOM 443 HE ARG A 30 -2.077 -30.260 44.677 1.00-21.58 H ATOM 444 CZ ARG A 30 -2.073 -31.428 43.050 1.00-21.58 C ATOM 445 NH1 ARG A 30 -2.161 -30.401 42.250 1.00-21.58 N ATOM 446 1HH1 ARG A 30 -2.199 -29.467 42.620 1.00-21.58 H ATOM 447 2HH1 ARG A 30 -2.190 -30.541 41.254 1.00-21.58 H ATOM 448 NH2 ARG A 30 -2.035 -32.619 42.507 1.00-21.58 N ATOM 449 1HH2 ARG A 30 -1.977 -33.432 43.095 1.00-21.58 H ATOM 450 2HH2 ARG A 30 -2.066 -32.724 41.507 1.00-21.58 H ATOM 451 N ALA A 31 -3.194 -30.291 50.052 1.00 35.65 N ATOM 452 H ALA A 31 -2.279 -29.946 50.282 1.00 35.65 H ATOM 453 CA ALA A 31 -4.328 -29.420 50.393 1.00 35.65 C ATOM 454 HA ALA A 31 -3.900 -28.516 50.825 1.00 35.65 H ATOM 455 C ALA A 31 -5.302 -29.967 51.451 1.00 35.65 C ATOM 456 O ALA A 31 -6.301 -29.313 51.757 1.00 35.65 O ATOM 457 CB ALA A 31 -5.090 -28.992 49.118 1.00 35.65 C ATOM 458 1HB ALA A 31 -4.399 -28.581 48.385 1.00 35.65 H ATOM 459 2HB ALA A 31 -5.836 -28.238 49.375 1.00 35.65 H ATOM 460 3HB ALA A 31 -5.607 -29.856 48.693 1.00 35.65 H ATOM 461 N VAL A 32 -5.000 -31.120 52.033 1.00 14.95 N ATOM 462 H VAL A 32 -4.119 -31.571 51.825 1.00 14.95 H ATOM 463 CA VAL A 32 -5.933 -31.786 52.936 1.00 14.95 C ATOM 464 HA VAL A 32 -6.911 -31.770 52.463 1.00 14.95 H ATOM 465 C VAL A 32 -6.022 -30.994 54.228 1.00 14.95 C ATOM 466 O VAL A 32 -5.036 -30.799 54.944 1.00 14.95 O ATOM 467 CB VAL A 32 -5.541 -33.264 53.216 1.00 14.95 C ATOM 468 HB VAL A 32 -4.581 -33.281 53.733 1.00 14.95 H ATOM 469 CG1 VAL A 32 -6.589 -33.961 54.097 1.00 14.95 C ATOM 470 1HG1 VAL A 32 -6.272 -34.982 54.307 1.00 14.95 H ATOM 471 2HG1 VAL A 32 -7.553 -33.989 53.592 1.00 14.95 H ATOM 472 3HG1 VAL A 32 -6.707 -33.429 55.041 1.00 14.95 H ATOM 473 CG2 VAL A 32 -5.394 -34.054 51.905 1.00 14.95 C ATOM 474 1HG2 VAL A 32 -5.183 -35.101 52.117 1.00 14.95 H ATOM 475 2HG2 VAL A 32 -4.577 -33.650 51.313 1.00 14.95 H ATOM 476 3HG2 VAL A 32 -6.307 -33.983 51.314 1.00 14.95 H ATOM 477 N LYS A 33 -7.217 -30.509 54.512 1.00 -6.43 N ATOM 478 H LYS A 33 -7.998 -30.760 53.907 1.00 -6.43 H ATOM 479 CA LYS A 33 -7.489 -29.649 55.653 1.00 -6.43 C ATOM 480 HA LYS A 33 -6.638 -29.000 55.849 1.00 -6.43 H ATOM 481 C LYS A 33 -7.762 -30.522 56.854 1.00 -6.43 C ATOM 482 O LYS A 33 -8.241 -31.635 56.698 1.00 -6.43 O ATOM 483 CB LYS A 33 -8.745 -28.823 55.360 1.00 -6.43 C ATOM 484 1HB LYS A 33 -9.590 -29.508 55.280 1.00 -6.43 H ATOM 485 2HB LYS A 33 -8.925 -28.156 56.204 1.00 -6.43 H ATOM 486 CG LYS A 33 -8.700 -27.998 54.080 1.00 -6.43 C ATOM 487 1HG LYS A 33 -8.581 -28.653 53.217 1.00 -6.43 H ATOM 488 2HG LYS A 33 -9.646 -27.466 53.982 1.00 -6.43 H ATOM 489 CD LYS A 33 -7.571 -26.988 54.102 1.00 -6.43 C ATOM 490 1HD LYS A 33 -7.659 -26.401 55.011 1.00 -6.43 H ATOM 491 2HD LYS A 33 -6.610 -27.502 54.099 1.00 -6.43 H ATOM 492 CE LYS A 33 -7.635 -26.069 52.902 1.00 -6.43 C ATOM 493 1HE LYS A 33 -7.488 -26.657 51.991 1.00 -6.43 H ATOM 494 2HE LYS A 33 -8.620 -25.600 52.863 1.00 -6.43 H ATOM 495 NZ LYS A 33 -6.585 -25.011 53.013 1.00 -6.43 N ATOM 496 1HZ LYS A 33 -6.655 -24.376 52.230 1.00 -6.43 H ATOM 497 2HZ LYS A 33 -5.671 -25.439 53.019 1.00 -6.43 H ATOM 498 3HZ LYS A 33 -6.721 -24.496 53.880 1.00 -6.43 H ATOM 499 N CYS A 34 -7.510 -30.001 58.039 1.00-16.09 N ATOM 500 H CYS A 34 -7.082 -29.082 58.111 1.00-16.09 H ATOM 501 CA CYS A 34 -7.943 -30.639 59.272 1.00-16.09 C ATOM 502 HA CYS A 34 -8.277 -31.661 59.090 1.00-16.09 H ATOM 503 C CYS A 34 -9.114 -29.789 59.741 1.00-16.09 C ATOM 504 O CYS A 34 -8.938 -28.597 60.010 1.00-16.09 O ATOM 505 CB CYS A 34 -6.825 -30.629 60.311 1.00-16.09 C ATOM 506 1HB CYS A 34 -5.970 -31.184 59.928 1.00-16.09 H ATOM 507 2HB CYS A 34 -6.528 -29.598 60.494 1.00-16.09 H ATOM 508 SG CYS A 34 -7.359 -31.356 61.886 1.00-16.09 S ATOM 509 N CYS A 35 -10.302 -30.371 59.763 1.00-17.69 N ATOM 510 H CYS A 35 -10.385 -31.359 59.526 1.00-17.69 H ATOM 511 CA CYS A 35 -11.533 -29.636 60.027 1.00-17.69 C ATOM 512 HA CYS A 35 -11.308 -28.577 60.085 1.00-17.69 H ATOM 513 C CYS A 35 -12.203 -30.074 61.324 1.00-17.69 C ATOM 514 O CYS A 35 -12.680 -31.201 61.426 1.00-17.69 O ATOM 515 CB CYS A 35 -12.482 -29.861 58.855 1.00-17.69 C ATOM 516 1HB CYS A 35 -12.740 -30.921 58.816 1.00-17.69 H ATOM 517 2HB CYS A 35 -13.393 -29.283 59.007 1.00-17.69 H ATOM 518 SG CYS A 35 -11.716 -29.396 57.273 1.00-17.69 S ATOM 519 N ARG A 36 -12.236 -29.210 62.326 1.00-10.04 N ATOM 520 H ARG A 36 -11.851 -28.276 62.187 1.00-10.04 H ATOM 521 CA ARG A 36 -12.893 -29.532 63.594 1.00-10.04 C ATOM 522 HA ARG A 36 -12.698 -30.567 63.861 1.00-10.04 H ATOM 523 C ARG A 36 -14.387 -29.352 63.388 1.00-10.04 C ATOM 524 O ARG A 36 -14.812 -28.433 62.699 1.00-10.04 O ATOM 525 CB ARG A 36 -12.366 -28.625 64.707 1.00-10.04 C ATOM 526 1HB ARG A 36 -11.285 -28.684 64.696 1.00-10.04 H ATOM 527 2HB ARG A 36 -12.653 -27.597 64.484 1.00-10.04 H ATOM 528 CG ARG A 36 -12.851 -28.980 66.115 1.00-10.04 C ATOM 529 1HG ARG A 36 -13.932 -28.885 66.148 1.00-10.04 H ATOM 530 2HG ARG A 36 -12.583 -30.006 66.355 1.00-10.04 H ATOM 531 CD ARG A 36 -12.259 -28.053 67.159 1.00-10.04 C ATOM 532 1HD ARG A 36 -12.342 -27.026 66.800 1.00-10.04 H ATOM 533 2HD ARG A 36 -12.836 -28.150 68.079 1.00-10.04 H ATOM 534 NE ARG A 36 -10.857 -28.386 67.450 1.00-10.04 N ATOM 535 HE ARG A 36 -10.547 -29.321 67.206 1.00-10.04 H ATOM 536 CZ ARG A 36 -9.961 -27.598 68.027 1.00-10.04 C ATOM 537 NH1 ARG A 36 -8.787 -28.094 68.286 1.00-10.04 N ATOM 538 1HH1 ARG A 36 -8.615 -29.069 68.064 1.00-10.04 H ATOM 539 2HH1 ARG A 36 -8.070 -27.529 68.703 1.00-10.04 H ATOM 540 NH2 ARG A 36 -10.189 -26.350 68.351 1.00-10.04 N ATOM 541 1HH2 ARG A 36 -11.091 -25.949 68.160 1.00-10.04 H ATOM 542 2HH2 ARG A 36 -9.468 -25.796 68.775 1.00-10.04 H ATOM 543 N LYS A 37 -15.183 -30.225 63.990 1.00 16.21 N ATOM 544 H LYS A 37 -14.760 -30.965 64.533 1.00 16.21 H ATOM 545 CA LYS A 37 -16.648 -30.175 63.882 1.00 16.21 C ATOM 546 HA LYS A 37 -16.890 -29.975 62.842 1.00 16.21 H ATOM 547 C LYS A 37 -17.293 -29.050 64.714 1.00 16.21 C ATOM 548 O LYS A 37 -18.513 -28.910 64.737 1.00 16.21 O ATOM 549 CB LYS A 37 -17.189 -31.572 64.256 1.00 16.21 C ATOM 550 1HB LYS A 37 -16.585 -32.308 63.724 1.00 16.21 H ATOM 551 2HB LYS A 37 -17.026 -31.724 65.323 1.00 16.21 H ATOM 552 CG LYS A 37 -18.673 -31.891 63.950 1.00 16.21 C ATOM 553 1HG LYS A 37 -18.883 -32.903 64.295 1.00 16.21 H ATOM 554 2HG LYS A 37 -19.307 -31.220 64.523 1.00 16.21 H ATOM 555 CD LYS A 37 -19.054 -31.801 62.465 1.00 16.21 C ATOM 556 1HD LYS A 37 -18.261 -31.321 61.904 1.00 16.21 H ATOM 557 2HD LYS A 37 -19.170 -32.815 62.078 1.00 16.21 H ATOM 558 CE LYS A 37 -20.361 -31.031 62.238 1.00 16.21 C ATOM 559 1HE LYS A 37 -20.655 -31.145 61.192 1.00 16.21 H ATOM 560 2HE LYS A 37 -21.138 -31.480 62.860 1.00 16.21 H ATOM 561 NZ LYS A 37 -20.270 -29.558 62.557 1.00 16.21 N ATOM 562 1HZ LYS A 37 -21.182 -29.129 62.520 1.00 16.21 H ATOM 563 2HZ LYS A 37 -19.666 -29.077 61.897 1.00 16.21 H ATOM 564 3HZ LYS A 37 -19.878 -29.419 63.485 1.00 16.21 H ATOM 565 N LYS A 38 -16.490 -28.243 65.388 1.00-12.29 N ATOM 566 H LYS A 38 -15.488 -28.300 65.265 1.00-12.29 H ATOM 567 CA LYS A 38 -16.948 -27.137 66.218 1.00-12.29 C ATOM 568 HA LYS A 38 -17.925 -26.777 65.900 1.00-12.29 H ATOM 569 C LYS A 38 -15.913 -26.071 65.960 1.00-12.29 C ATOM 570 O LYS A 38 -14.844 -26.476 65.470 1.00-12.29 O ATOM 571 OXT LYS A 38 -16.161 -24.885 66.228 1.00-12.29 O ATOM 572 CB LYS A 38 -16.961 -27.489 67.706 1.00-12.29 C ATOM 573 1HB LYS A 38 -15.989 -27.896 67.985 1.00-12.29 H ATOM 574 2HB LYS A 38 -17.115 -26.563 68.261 1.00-12.29 H ATOM 575 CG LYS A 38 -18.052 -28.466 68.113 1.00-12.29 C ATOM 576 1HG LYS A 38 -19.012 -28.093 67.755 1.00-12.29 H ATOM 577 2HG LYS A 38 -17.858 -29.442 67.667 1.00-12.29 H ATOM 578 CD LYS A 38 -18.114 -28.597 69.629 1.00-12.29 C ATOM 579 1HD LYS A 38 -17.148 -28.942 69.999 1.00-12.29 H ATOM 580 2HD LYS A 38 -18.332 -27.617 70.058 1.00-12.29 H ATOM 581 CE LYS A 38 -19.202 -29.581 70.046 1.00-12.29 C ATOM 582 1HE LYS A 38 -20.159 -29.241 69.642 1.00-12.29 H ATOM 583 2HE LYS A 38 -18.974 -30.563 69.624 1.00-12.29 H ATOM 584 NZ LYS A 38 -19.301 -29.690 71.543 1.00-12.29 N ATOM 585 1HZ LYS A 38 -20.020 -30.356 71.794 1.00-12.29 H ATOM 586 2HZ LYS A 38 -19.536 -28.788 71.936 1.00-12.29 H ATOM 587 3HZ LYS A 38 -18.417 -29.996 71.925 1.00-12.29 H TER 588 LYS A 38 CONECT 67 64 508 CONECT 179 176 403 CONECT 262 259 518 CONECT 403 179 400 CONECT 508 67 505 CONECT 518 262 515 END
SEQUENCE	NPVSCVRNKGICVPIRCPGNMKQIGTCVGRAVKCCRKK
HELICITY	39.50	INSTAB. INDEX	30.59	FLEXIBILITY	12.15
a HYD. MOM.	72.99	b HYD. MOM.	38.23	c HYD. MOM	8.15
a MEAN HYD. MOM.	1.92	b MEAN HYD. MOM.	1.01	c MEAN HYD. MOM.	0.21
CHARGE pH5	9.00	CHARGE pH7	8.73	CHARGE pH9	3.73
Δ CHARGE pH5-pH9	5.27	ISOELECTRIC POINT	10.00	BOMAN INDEX	1.80
ΔG	24	CPP	0,04	MLP	-16,33
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	Chordata	CLASS	Mammalia	ORDER	Artiodactyla
FAMILY	Bovidae	GENUS	Bos	SPECIES	Bos taurus
DATE	1991
TITLE PAPER	Tracheal antimicrobial peptide, a cysteine-rich peptide from mammalian tracheal mucosa: peptide isolation and cloning of a cDNA.