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ID	1726	NAME	Varv peptide A   Blast NCBI-PROT
LENGTH	29	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\GLPVCGETCVGGTCNTPGCSCSWPVCTRN.pdb REMARK YASARA Written on: Wed May 14 13:56:27 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 376 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.80 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 -1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 42.04050 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.04050 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 42.04050 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.04050 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 42.04050 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 42.04050 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 42.04050 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 42.04050 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 42.04050 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 42.04050 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 42.04050 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 42.04050 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 63.06075 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 21.02025 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 63.06075 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 63.06075 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 21.02025 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 63.06075 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 21.02025 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 21.02025 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 21.02025 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 21.02025 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 63.06075 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 21.02025 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 63.06075 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 63.06075 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 21.02025 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 63.06075 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 63.06075 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 21.02025 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 21.02025 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 21.02025 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 21.02025 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 63.06075 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 63.06075 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 63.06075 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 42.04050 REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 42.04050 REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 42.04050 REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 42.04050 REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 42.04050 REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 42.04050 REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 42.04050 REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 42.04050 REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 42.04050 REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 42.04050 REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 42.04050 REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 42.04050 REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 42.04050 REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 21.02025 REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 63.06075 REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 21.02025 REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 21.02025 REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 63.06075 REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 21.02025 REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 63.06075 REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 63.06075 REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 63.06075 REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 63.06075 REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 21.02025 REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 63.06075 REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 21.02025 REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 21.02025 REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 63.06075 REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 21.02025 REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 21.02025 REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 63.06075 REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 63.06075 REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 63.06075 REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 21.02025 REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 63.06075 REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 21.02025 REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 63.06075 REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 21.02025 REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 21.02025 REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 21.02025 COMPND MOL_ID: 1; COMPND 2 MOLECULE: VARV PEPTIDE F; 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 0.278.; SEQRES 1 A 29 GLY LEU PRO VAL CYS GLY GLU THR CYS VAL GLY GLY THR SEQRES 2 A 29 CYS ASN THR PRO GLY CYS SER CYS SER TRP PRO VAL CYS SEQRES 3 A 29 THR ARG ASN CRYST1 84.081 84.081 84.081 90.00 90.00 90.00 I 41 3 2 48 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 0.011893 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011893 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011893 0.00000 SSBOND 1 CYS A 5 CYS A 19 2.03 SSBOND 3 CYS A 9 CYS A 21 2.03 SSBOND 5 CYS A 14 CYS A 26 2.03 ATOM 1 N GLY A 1 -13.313 -38.758 2.155 1.00-35.20 N ATOM 2 1H GLY A 1 -13.387 -38.085 2.904 1.00-35.20 H ATOM 3 2H GLY A 1 -12.339 -38.944 1.962 1.00-35.20 H ATOM 4 3H GLY A 1 -13.765 -39.619 2.426 1.00-35.20 H ATOM 5 CA GLY A 1 -13.961 -38.226 0.938 1.00-35.20 C ATOM 6 1HA GLY A 1 -15.009 -38.017 1.145 1.00-35.20 H ATOM 7 2HA GLY A 1 -13.457 -37.311 0.631 1.00-35.20 H ATOM 8 C GLY A 1 -13.868 -39.234 -0.170 1.00-35.20 C ATOM 9 O GLY A 1 -13.523 -40.362 0.150 1.00-35.20 O ATOM 10 N LEU A 2 -14.129 -38.862 -1.416 1.00 0.89 N ATOM 11 H LEU A 2 -14.420 -37.922 -1.630 1.00 0.89 H ATOM 12 CA LEU A 2 -13.916 -39.768 -2.544 1.00 0.89 C ATOM 13 HA LEU A 2 -14.474 -40.689 -2.386 1.00 0.89 H ATOM 14 C LEU A 2 -12.403 -40.044 -2.577 1.00 0.89 C ATOM 15 O LEU A 2 -11.627 -39.147 -2.210 1.00 0.89 O ATOM 16 CB LEU A 2 -14.395 -39.075 -3.833 1.00 0.89 C ATOM 17 1HB LEU A 2 -15.371 -38.640 -3.620 1.00 0.89 H ATOM 18 2HB LEU A 2 -13.710 -38.252 -4.036 1.00 0.89 H ATOM 19 CG LEU A 2 -14.548 -39.887 -5.132 1.00 0.89 C ATOM 20 HG LEU A 2 -13.586 -40.330 -5.383 1.00 0.89 H ATOM 21 CD1 LEU A 2 -15.593 -40.995 -4.995 1.00 0.89 C ATOM 22 1HD1 LEU A 2 -15.669 -41.533 -5.945 1.00 0.89 H ATOM 23 2HD1 LEU A 2 -16.569 -40.579 -4.750 1.00 0.89 H ATOM 24 3HD1 LEU A 2 -15.299 -41.713 -4.236 1.00 0.89 H ATOM 25 CD2 LEU A 2 -14.978 -38.972 -6.276 1.00 0.89 C ATOM 26 1HD2 LEU A 2 -14.972 -39.546 -7.208 1.00 0.89 H ATOM 27 2HD2 LEU A 2 -14.286 -38.141 -6.377 1.00 0.89 H ATOM 28 3HD2 LEU A 2 -15.982 -38.586 -6.104 1.00 0.89 H ATOM 29 N PRO A 3 -11.962 -41.265 -2.940 1.00 23.39 N ATOM 30 CA PRO A 3 -10.510 -41.469 -3.046 1.00 23.39 C ATOM 31 HA PRO A 3 -10.032 -41.331 -2.077 1.00 23.39 H ATOM 32 C PRO A 3 -9.859 -40.559 -4.084 1.00 23.39 C ATOM 33 O PRO A 3 -10.543 -39.938 -4.890 1.00 23.39 O ATOM 34 CB PRO A 3 -10.402 -42.930 -3.499 1.00 23.39 C ATOM 35 1HB PRO A 3 -10.329 -42.979 -4.583 1.00 23.39 H ATOM 36 2HB PRO A 3 -9.547 -43.416 -3.033 1.00 23.39 H ATOM 37 CG PRO A 3 -11.657 -43.558 -3.057 1.00 23.39 C ATOM 38 1HG PRO A 3 -11.873 -44.454 -3.639 1.00 23.39 H ATOM 39 2HG PRO A 3 -11.602 -43.791 -1.992 1.00 23.39 H ATOM 40 CD PRO A 3 -12.683 -42.501 -3.299 1.00 23.39 C ATOM 41 1HD PRO A 3 -12.976 -42.481 -4.349 1.00 23.39 H ATOM 42 2HD PRO A 3 -13.549 -42.658 -2.656 1.00 23.39 H ATOM 43 N VAL A 4 -8.533 -40.489 -4.084 1.00-10.67 N ATOM 44 H VAL A 4 -7.997 -41.018 -3.418 1.00-10.67 H ATOM 45 CA VAL A 4 -7.797 -39.661 -5.044 1.00-10.67 C ATOM 46 HA VAL A 4 -8.478 -39.325 -5.809 1.00-10.67 H ATOM 47 C VAL A 4 -6.703 -40.443 -5.758 1.00-10.67 C ATOM 48 O VAL A 4 -6.267 -41.499 -5.279 1.00-10.67 O ATOM 49 CB VAL A 4 -7.179 -38.396 -4.367 1.00-10.67 C ATOM 50 HB VAL A 4 -6.610 -37.849 -5.117 1.00-10.67 H ATOM 51 CG1 VAL A 4 -8.279 -37.461 -3.844 1.00-10.67 C ATOM 52 1HG1 VAL A 4 -7.828 -36.566 -3.414 1.00-10.67 H ATOM 53 2HG1 VAL A 4 -8.884 -37.958 -3.085 1.00-10.67 H ATOM 54 3HG1 VAL A 4 -8.924 -37.159 -4.668 1.00-10.67 H ATOM 55 CG2 VAL A 4 -6.227 -38.770 -3.217 1.00-10.67 C ATOM 56 1HG2 VAL A 4 -5.756 -37.865 -2.829 1.00-10.67 H ATOM 57 2HG2 VAL A 4 -5.442 -39.436 -3.575 1.00-10.67 H ATOM 58 3HG2 VAL A 4 -6.772 -39.253 -2.406 1.00-10.67 H ATOM 59 N CYS A 5 -6.263 -39.909 -6.891 1.00 21.27 N ATOM 60 H CYS A 5 -6.753 -39.104 -7.285 1.00 21.27 H ATOM 61 CA CYS A 5 -5.071 -40.390 -7.587 1.00 21.27 C ATOM 62 HA CYS A 5 -4.872 -41.426 -7.311 1.00 21.27 H ATOM 63 C CYS A 5 -3.849 -39.550 -7.230 1.00 21.27 C ATOM 64 O CYS A 5 -2.727 -39.969 -7.451 1.00 21.27 O ATOM 65 CB CYS A 5 -5.254 -40.304 -9.103 1.00 21.27 C ATOM 66 1HB CYS A 5 -5.539 -39.289 -9.375 1.00 21.27 H ATOM 67 2HB CYS A 5 -4.298 -40.532 -9.578 1.00 21.27 H ATOM 68 SG CYS A 5 -6.488 -41.468 -9.746 1.00 21.27 S ATOM 69 N GLY A 6 -4.059 -38.340 -6.730 1.00 -3.38 N ATOM 70 H GLY A 6 -5.002 -38.006 -6.600 1.00 -3.38 H ATOM 71 CA GLY A 6 -2.955 -37.446 -6.394 1.00 -3.38 C ATOM 72 1HA GLY A 6 -3.286 -36.756 -5.618 1.00 -3.38 H ATOM 73 2HA GLY A 6 -2.122 -38.030 -6.002 1.00 -3.38 H ATOM 74 C GLY A 6 -2.453 -36.625 -7.569 1.00 -3.38 C ATOM 75 O GLY A 6 -1.895 -35.545 -7.395 1.00 -3.38 O ATOM 76 N GLU A 7 -2.718 -37.108 -8.774 1.00 4.75 N ATOM 77 H GLU A 7 -3.120 -38.025 -8.848 1.00 4.75 H ATOM 78 CA GLU A 7 -2.506 -36.343 -10.001 1.00 4.75 C ATOM 79 HA GLU A 7 -1.476 -35.991 -10.047 1.00 4.75 H ATOM 80 C GLU A 7 -3.455 -35.136 -9.944 1.00 4.75 C ATOM 81 O GLU A 7 -4.484 -35.175 -9.264 1.00 4.75 O ATOM 82 CB GLU A 7 -2.803 -37.251 -11.209 1.00 4.75 C ATOM 83 1HB GLU A 7 -2.208 -38.158 -11.101 1.00 4.75 H ATOM 84 2HB GLU A 7 -3.853 -37.532 -11.172 1.00 4.75 H ATOM 85 CG GLU A 7 -2.502 -36.639 -12.582 1.00 4.75 C ATOM 86 1HG GLU A 7 -3.056 -35.707 -12.679 1.00 4.75 H ATOM 87 2HG GLU A 7 -1.436 -36.411 -12.637 1.00 4.75 H ATOM 88 CD GLU A 7 -2.883 -37.531 -13.759 1.00 4.75 C ATOM 89 OE1 GLU A 7 -3.350 -38.678 -13.581 1.00 4.75 O ATOM 90 OE2 GLU A 7 -2.735 -37.076 -14.907 1.00 4.75 O ATOM 91 N THR A 8 -3.147 -34.060 -10.648 1.00 -8.42 N ATOM 92 H THR A 8 -2.302 -34.027 -11.201 1.00 -8.42 H ATOM 93 CA THR A 8 -4.010 -32.887 -10.678 1.00 -8.42 C ATOM 94 HA THR A 8 -4.839 -33.017 -9.991 1.00 -8.42 H ATOM 95 C THR A 8 -4.610 -32.700 -12.070 1.00 -8.42 C ATOM 96 O THR A 8 -3.905 -32.460 -13.049 1.00 -8.42 O ATOM 97 CB THR A 8 -3.220 -31.643 -10.227 1.00 -8.42 C ATOM 98 HB THR A 8 -3.786 -30.742 -10.458 1.00 -8.42 H ATOM 99 OG1 THR A 8 -1.953 -31.620 -10.891 1.00 -8.42 O ATOM 100 HG1 THR A 8 -1.467 -30.854 -10.581 1.00 -8.42 H ATOM 101 CG2 THR A 8 -2.934 -31.688 -8.732 1.00 -8.42 C ATOM 102 1HG2 THR A 8 -2.395 -30.790 -8.438 1.00 -8.42 H ATOM 103 2HG2 THR A 8 -2.330 -32.565 -8.490 1.00 -8.42 H ATOM 104 3HG2 THR A 8 -3.874 -31.735 -8.181 1.00 -8.42 H ATOM 105 N CYS A 9 -5.930 -32.800 -12.162 1.00 14.98 N ATOM 106 H CYS A 9 -6.469 -32.963 -11.328 1.00 14.98 H ATOM 107 CA CYS A 9 -6.656 -32.618 -13.416 1.00 14.98 C ATOM 108 HA CYS A 9 -6.071 -33.064 -14.220 1.00 14.98 H ATOM 109 C CYS A 9 -6.834 -31.140 -13.746 1.00 14.98 C ATOM 110 O CYS A 9 -7.943 -30.664 -13.955 1.00 14.98 O ATOM 111 CB CYS A 9 -8.026 -33.309 -13.386 1.00 14.98 C ATOM 112 1HB CYS A 9 -8.532 -33.099 -14.328 1.00 14.98 H ATOM 113 2HB CYS A 9 -7.863 -34.378 -13.346 1.00 14.98 H ATOM 114 SG CYS A 9 -9.144 -32.871 -12.018 1.00 14.98 S ATOM 115 N VAL A 10 -5.739 -30.401 -13.831 1.00 -5.69 N ATOM 116 H VAL A 10 -4.839 -30.845 -13.658 1.00 -5.69 H ATOM 117 CA VAL A 10 -5.791 -28.974 -14.154 1.00 -5.69 C ATOM 118 HA VAL A 10 -6.472 -28.486 -13.457 1.00 -5.69 H ATOM 119 C VAL A 10 -6.349 -28.806 -15.572 1.00 -5.69 C ATOM 120 O VAL A 10 -7.106 -27.883 -15.855 1.00 -5.69 O ATOM 121 CB VAL A 10 -4.387 -28.317 -14.020 1.00 -5.69 C ATOM 122 HB VAL A 10 -3.727 -28.749 -14.771 1.00 -5.69 H ATOM 123 CG1 VAL A 10 -4.456 -26.798 -14.233 1.00 -5.69 C ATOM 124 1HG1 VAL A 10 -3.462 -26.362 -14.121 1.00 -5.69 H ATOM 125 2HG1 VAL A 10 -5.131 -26.343 -13.505 1.00 -5.69 H ATOM 126 3HG1 VAL A 10 -4.815 -26.576 -15.239 1.00 -5.69 H ATOM 127 CG2 VAL A 10 -3.789 -28.607 -12.632 1.00 -5.69 C ATOM 128 1HG2 VAL A 10 -2.857 -28.054 -12.508 1.00 -5.69 H ATOM 129 2HG2 VAL A 10 -3.561 -29.669 -12.537 1.00 -5.69 H ATOM 130 3HG2 VAL A 10 -4.488 -28.315 -11.847 1.00 -5.69 H ATOM 131 N GLY A 11 -6.068 -29.775 -16.436 1.00 -4.62 N ATOM 132 H GLY A 11 -5.460 -30.529 -16.157 1.00 -4.62 H ATOM 133 CA GLY A 11 -6.635 -29.790 -17.779 1.00 -4.62 C ATOM 134 1HA GLY A 11 -6.676 -28.768 -18.159 1.00 -4.62 H ATOM 135 2HA GLY A 11 -5.976 -30.366 -18.428 1.00 -4.62 H ATOM 136 C GLY A 11 -8.029 -30.388 -17.876 1.00 -4.62 C ATOM 137 O GLY A 11 -8.522 -30.632 -18.969 1.00 -4.62 O ATOM 138 N GLY A 12 -8.650 -30.685 -16.742 1.00 -2.37 N ATOM 139 H GLY A 12 -8.206 -30.477 -15.852 1.00 -2.37 H ATOM 140 CA GLY A 12 -9.971 -31.299 -16.707 1.00 -2.37 C ATOM 141 1HA GLY A 12 -10.451 -31.031 -15.766 1.00 -2.37 H ATOM 142 2HA GLY A 12 -10.572 -30.901 -17.525 1.00 -2.37 H ATOM 143 C GLY A 12 -9.955 -32.811 -16.819 1.00 -2.37 C ATOM 144 O GLY A 12 -10.944 -33.477 -16.528 1.00 -2.37 O ATOM 145 N THR A 13 -8.823 -33.362 -17.226 1.00 -4.56 N ATOM 146 H THR A 13 -8.032 -32.776 -17.440 1.00 -4.56 H ATOM 147 CA THR A 13 -8.650 -34.796 -17.436 1.00 -4.56 C ATOM 148 HA THR A 13 -9.527 -35.342 -17.089 1.00 -4.56 H ATOM 149 C THR A 13 -7.431 -35.263 -16.656 1.00 -4.56 C ATOM 150 O THR A 13 -6.639 -34.437 -16.201 1.00 -4.56 O ATOM 151 CB THR A 13 -8.422 -35.086 -18.936 1.00 -4.56 C ATOM 152 HB THR A 13 -8.218 -36.147 -19.080 1.00 -4.56 H ATOM 153 OG1 THR A 13 -7.317 -34.306 -19.398 1.00 -4.56 O ATOM 154 HG1 THR A 13 -7.274 -34.383 -20.353 1.00 -4.56 H ATOM 155 CG2 THR A 13 -9.625 -34.686 -19.779 1.00 -4.56 C ATOM 156 1HG2 THR A 13 -9.478 -35.023 -20.804 1.00 -4.56 H ATOM 157 2HG2 THR A 13 -9.741 -33.601 -19.774 1.00 -4.56 H ATOM 158 3HG2 THR A 13 -10.530 -35.146 -19.379 1.00 -4.56 H ATOM 159 N CYS A 14 -7.288 -36.573 -16.518 1.00-12.67 N ATOM 160 H CYS A 14 -7.949 -37.197 -16.952 1.00-12.67 H ATOM 161 CA CYS A 14 -6.172 -37.202 -15.819 1.00-12.67 C ATOM 162 HA CYS A 14 -5.437 -36.462 -15.495 1.00-12.67 H ATOM 163 C CYS A 14 -5.569 -38.160 -16.832 1.00-12.67 C ATOM 164 O CYS A 14 -6.264 -38.543 -17.775 1.00-12.67 O ATOM 165 CB CYS A 14 -6.698 -38.001 -14.625 1.00-12.67 C ATOM 166 1HB CYS A 14 -7.339 -38.797 -15.005 1.00-12.67 H ATOM 167 2HB CYS A 14 -5.861 -38.457 -14.094 1.00-12.67 H ATOM 168 SG CYS A 14 -7.672 -36.986 -13.473 1.00-12.67 S ATOM 169 N ASN A 15 -4.320 -38.559 -16.662 1.00 4.81 N ATOM 170 H ASN A 15 -3.762 -38.147 -15.904 1.00 4.81 H ATOM 171 CA ASN A 15 -3.700 -39.566 -17.527 1.00 4.81 C ATOM 172 HA ASN A 15 -4.290 -39.704 -18.433 1.00 4.81 H ATOM 173 C ASN A 15 -3.652 -40.916 -16.821 1.00 4.81 C ATOM 174 O ASN A 15 -3.633 -41.958 -17.475 1.00 4.81 O ATOM 175 CB ASN A 15 -2.272 -39.152 -17.918 1.00 4.81 C ATOM 176 1HB ASN A 15 -1.752 -38.774 -17.038 1.00 4.81 H ATOM 177 2HB ASN A 15 -1.748 -40.036 -18.279 1.00 4.81 H ATOM 178 CG ASN A 15 -2.219 -38.110 -19.023 1.00 4.81 C ATOM 179 OD1 ASN A 15 -1.170 -37.884 -19.602 1.00 4.81 O ATOM 180 ND2 ASN A 15 -3.325 -37.490 -19.347 1.00 4.81 N ATOM 181 1HD2 ASN A 15 -3.288 -36.802 -20.074 1.00 4.81 H ATOM 182 2HD2 ASN A 15 -4.182 -37.700 -18.860 1.00 4.81 H ATOM 183 N THR A 16 -3.631 -40.922 -15.497 1.00 0.04 N ATOM 184 H THR A 16 -3.630 -40.050 -14.969 1.00 0.04 H ATOM 185 CA THR A 16 -3.598 -42.183 -14.758 1.00 0.04 C ATOM 186 HA THR A 16 -2.808 -42.796 -15.180 1.00 0.04 H ATOM 187 C THR A 16 -4.953 -42.901 -14.896 1.00 0.04 C ATOM 188 O THR A 16 -6.014 -42.288 -14.712 1.00 0.04 O ATOM 189 CB THR A 16 -3.261 -41.920 -13.276 1.00 0.04 C ATOM 190 HB THR A 16 -4.071 -41.369 -12.817 1.00 0.04 H ATOM 191 OG1 THR A 16 -2.080 -41.118 -13.206 1.00 0.04 O ATOM 192 HG1 THR A 16 -2.359 -40.193 -13.309 1.00 0.04 H ATOM 193 CG2 THR A 16 -2.999 -43.191 -12.488 1.00 0.04 C ATOM 194 1HG2 THR A 16 -2.703 -42.922 -11.475 1.00 0.04 H ATOM 195 2HG2 THR A 16 -2.196 -43.760 -12.955 1.00 0.04 H ATOM 196 3HG2 THR A 16 -3.907 -43.795 -12.441 1.00 0.04 H ATOM 197 N PRO A 17 -4.957 -44.201 -15.256 1.00-12.83 N ATOM 198 CA PRO A 17 -6.271 -44.853 -15.345 1.00-12.83 C ATOM 199 HA PRO A 17 -6.890 -44.334 -16.077 1.00-12.83 H ATOM 200 C PRO A 17 -7.010 -44.952 -14.009 1.00-12.83 C ATOM 201 O PRO A 17 -6.390 -45.042 -12.947 1.00-12.83 O ATOM 202 CB PRO A 17 -5.923 -46.263 -15.844 1.00-12.83 C ATOM 203 1HB PRO A 17 -5.842 -46.947 -14.999 1.00-12.83 H ATOM 204 2HB PRO A 17 -6.668 -46.620 -16.555 1.00-12.83 H ATOM 205 CG PRO A 17 -4.601 -46.113 -16.501 1.00-12.83 C ATOM 206 1HG PRO A 17 -4.076 -47.067 -16.554 1.00-12.83 H ATOM 207 2HG PRO A 17 -4.726 -45.683 -17.496 1.00-12.83 H ATOM 208 CD PRO A 17 -3.882 -45.148 -15.608 1.00-12.83 C ATOM 209 1HD PRO A 17 -3.506 -45.648 -14.714 1.00-12.83 H ATOM 210 2HD PRO A 17 -3.077 -44.655 -16.154 1.00-12.83 H ATOM 211 N GLY A 18 -8.338 -44.988 -14.066 1.00-21.91 N ATOM 212 H GLY A 18 -8.806 -44.902 -14.954 1.00-21.91 H ATOM 213 CA GLY A 18 -9.143 -45.163 -12.863 1.00-21.91 C ATOM 214 1HA GLY A 18 -10.069 -45.674 -13.126 1.00-21.91 H ATOM 215 2HA GLY A 18 -8.592 -45.792 -12.164 1.00-21.91 H ATOM 216 C GLY A 18 -9.490 -43.873 -12.150 1.00-21.91 C ATOM 217 O GLY A 18 -10.305 -43.855 -11.224 1.00-21.91 O ATOM 218 N CYS A 19 -8.864 -42.785 -12.568 1.00 6.85 N ATOM 219 H CYS A 19 -8.188 -42.841 -13.315 1.00 6.85 H ATOM 220 CA CYS A 19 -9.128 -41.488 -11.970 1.00 6.85 C ATOM 221 HA CYS A 19 -9.188 -41.607 -10.893 1.00 6.85 H ATOM 222 C CYS A 19 -10.427 -40.870 -12.480 1.00 6.85 C ATOM 223 O CYS A 19 -10.955 -41.219 -13.538 1.00 6.85 O ATOM 224 CB CYS A 19 -7.983 -40.537 -12.274 1.00 6.85 C ATOM 225 1HB CYS A 19 -7.955 -40.363 -13.348 1.00 6.85 H ATOM 226 2HB CYS A 19 -8.158 -39.589 -11.766 1.00 6.85 H ATOM 227 SG CYS A 19 -6.383 -41.217 -11.758 1.00 6.85 S ATOM 228 N SER A 20 -10.918 -39.926 -11.702 1.00-20.11 N ATOM 229 H SER A 20 -10.417 -39.700 -10.844 1.00-20.11 H ATOM 230 CA SER A 20 -12.089 -39.108 -11.989 1.00-20.11 C ATOM 231 HA SER A 20 -12.371 -39.167 -13.041 1.00-20.11 H ATOM 232 C SER A 20 -11.543 -37.710 -11.681 1.00-20.11 C ATOM 233 O SER A 20 -10.366 -37.602 -11.346 1.00-20.11 O ATOM 234 CB SER A 20 -13.261 -39.555 -11.106 1.00-20.11 C ATOM 235 1HB SER A 20 -14.095 -38.862 -11.215 1.00-20.11 H ATOM 236 2HB SER A 20 -13.581 -40.542 -11.441 1.00-20.11 H ATOM 237 OG SER A 20 -12.893 -39.656 -9.740 1.00-20.11 O ATOM 238 HG SER A 20 -13.405 -40.401 -9.353 1.00-20.11 H ATOM 239 N CYS A 21 -12.317 -36.640 -11.806 1.00-12.17 N ATOM 240 H CYS A 21 -13.297 -36.732 -12.028 1.00-12.17 H ATOM 241 CA CYS A 21 -11.778 -35.296 -11.596 1.00-12.17 C ATOM 242 HA CYS A 21 -10.835 -35.348 -11.055 1.00-12.17 H ATOM 243 C CYS A 21 -12.734 -34.466 -10.763 1.00-12.17 C ATOM 244 O CYS A 21 -13.907 -34.344 -11.088 1.00-12.17 O ATOM 245 CB CYS A 21 -11.530 -34.616 -12.949 1.00-12.17 C ATOM 246 1HB CYS A 21 -10.789 -35.196 -13.500 1.00-12.17 H ATOM 247 2HB CYS A 21 -12.463 -34.639 -13.512 1.00-12.17 H ATOM 248 SG CYS A 21 -10.984 -32.875 -12.877 1.00-12.17 S ATOM 249 N SER A 22 -12.200 -33.853 -9.720 1.00 16.72 N ATOM 250 H SER A 22 -11.223 -34.025 -9.482 1.00 16.72 H ATOM 251 CA SER A 22 -12.898 -32.841 -8.937 1.00 16.72 C ATOM 252 HA SER A 22 -13.855 -32.584 -9.391 1.00 16.72 H ATOM 253 C SER A 22 -11.939 -31.663 -9.016 1.00 16.72 C ATOM 254 O SER A 22 -10.943 -31.603 -8.302 1.00 16.72 O ATOM 255 CB SER A 22 -13.112 -33.291 -7.498 1.00 16.72 C ATOM 256 1HB SER A 22 -12.151 -33.543 -7.050 1.00 16.72 H ATOM 257 2HB SER A 22 -13.576 -32.484 -6.931 1.00 16.72 H ATOM 258 OG SER A 22 -13.955 -34.427 -7.486 1.00 16.72 O ATOM 259 HG SER A 22 -13.569 -35.097 -8.062 1.00 16.72 H ATOM 260 N TRP A 23 -12.155 -30.814 -10.008 1.00-10.83 N ATOM 261 H TRP A 23 -13.039 -30.834 -10.489 1.00-10.83 H ATOM 262 CA TRP A 23 -11.134 -29.873 -10.473 1.00-10.83 C ATOM 263 HA TRP A 23 -10.311 -30.449 -10.887 1.00-10.83 H ATOM 264 C TRP A 23 -10.610 -28.997 -9.333 1.00-10.83 C ATOM 265 O TRP A 23 -11.402 -28.473 -8.550 1.00-10.83 O ATOM 266 CB TRP A 23 -11.728 -28.993 -11.583 1.00-10.83 C ATOM 267 1HB TRP A 23 -12.232 -29.634 -12.306 1.00-10.83 H ATOM 268 2HB TRP A 23 -12.463 -28.318 -11.146 1.00-10.83 H ATOM 269 CG TRP A 23 -10.700 -28.184 -12.313 1.00-10.83 C ATOM 270 CD1 TRP A 23 -10.063 -28.521 -13.461 1.00-10.83 C ATOM 271 HD1 TRP A 23 -10.239 -29.439 -14.008 1.00-10.83 H ATOM 272 CD2 TRP A 23 -10.155 -26.904 -11.938 1.00-10.83 C ATOM 273 NE1 TRP A 23 -9.157 -27.569 -13.831 1.00-10.83 N ATOM 274 HE1 TRP A 23 -8.572 -27.621 -14.665 1.00-10.83 H ATOM 275 CE2 TRP A 23 -9.154 -26.576 -12.896 1.00-10.83 C ATOM 276 CE3 TRP A 23 -10.378 -26.019 -10.864 1.00-10.83 C ATOM 277 HE3 TRP A 23 -11.140 -26.234 -10.128 1.00-10.83 H ATOM 278 CZ2 TRP A 23 -8.353 -25.419 -12.793 1.00-10.83 C ATOM 279 HZ2 TRP A 23 -7.599 -25.202 -13.535 1.00-10.83 H ATOM 280 CZ3 TRP A 23 -9.575 -24.849 -10.754 1.00-10.83 C ATOM 281 HZ3 TRP A 23 -9.732 -24.167 -9.931 1.00-10.83 H ATOM 282 CH2 TRP A 23 -8.566 -24.568 -11.723 1.00-10.83 C ATOM 283 HH2 TRP A 23 -7.965 -23.675 -11.625 1.00-10.83 H ATOM 284 N PRO A 24 -9.281 -28.805 -9.229 1.00 7.85 N ATOM 285 CA PRO A 24 -8.124 -29.265 -10.010 1.00 7.85 C ATOM 286 HA PRO A 24 -8.368 -29.274 -11.072 1.00 7.85 H ATOM 287 C PRO A 24 -7.501 -30.616 -9.632 1.00 7.85 C ATOM 288 O PRO A 24 -6.385 -30.881 -10.048 1.00 7.85 O ATOM 289 CB PRO A 24 -7.119 -28.141 -9.749 1.00 7.85 C ATOM 290 1HB PRO A 24 -6.091 -28.458 -9.917 1.00 7.85 H ATOM 291 2HB PRO A 24 -7.352 -27.277 -10.371 1.00 7.85 H ATOM 292 CG PRO A 24 -7.344 -27.826 -8.324 1.00 7.85 C ATOM 293 1HG PRO A 24 -6.854 -28.574 -7.700 1.00 7.85 H ATOM 294 2HG PRO A 24 -6.973 -26.830 -8.084 1.00 7.85 H ATOM 295 CD PRO A 24 -8.845 -27.899 -8.148 1.00 7.85 C ATOM 296 1HD PRO A 24 -9.100 -28.305 -7.168 1.00 7.85 H ATOM 297 2HD PRO A 24 -9.289 -26.911 -8.285 1.00 7.85 H ATOM 298 N VAL A 25 -8.138 -31.464 -8.834 1.00 -8.55 N ATOM 299 H VAL A 25 -9.096 -31.277 -8.538 1.00 -8.55 H ATOM 300 CA VAL A 25 -7.504 -32.692 -8.328 1.00 -8.55 C ATOM 301 HA VAL A 25 -6.444 -32.679 -8.568 1.00 -8.55 H ATOM 302 C VAL A 25 -8.120 -33.945 -8.949 1.00 -8.55 C ATOM 303 O VAL A 25 -9.345 -34.085 -9.019 1.00 -8.55 O ATOM 304 CB VAL A 25 -7.636 -32.765 -6.774 1.00 -8.55 C ATOM 305 HB VAL A 25 -8.693 -32.819 -6.515 1.00 -8.55 H ATOM 306 CG1 VAL A 25 -6.920 -34.004 -6.194 1.00 -8.55 C ATOM 307 1HG1 VAL A 25 -6.968 -33.982 -5.105 1.00 -8.55 H ATOM 308 2HG1 VAL A 25 -5.874 -34.021 -6.508 1.00 -8.55 H ATOM 309 3HG1 VAL A 25 -7.413 -34.914 -6.534 1.00 -8.55 H ATOM 310 CG2 VAL A 25 -7.047 -31.497 -6.126 1.00 -8.55 C ATOM 311 1HG2 VAL A 25 -7.078 -31.589 -5.040 1.00 -8.55 H ATOM 312 2HG2 VAL A 25 -7.637 -30.625 -6.406 1.00 -8.55 H ATOM 313 3HG2 VAL A 25 -6.013 -31.353 -6.445 1.00 -8.55 H ATOM 314 N CYS A 26 -7.290 -34.881 -9.390 1.00-14.97 N ATOM 315 H CYS A 26 -6.279 -34.771 -9.316 1.00-14.97 H ATOM 316 CA CYS A 26 -7.796 -36.168 -9.850 1.00-14.97 C ATOM 317 HA CYS A 26 -8.658 -36.009 -10.496 1.00-14.97 H ATOM 318 C CYS A 26 -8.230 -36.962 -8.629 1.00-14.97 C ATOM 319 O CYS A 26 -7.412 -37.427 -7.819 1.00-14.97 O ATOM 320 CB CYS A 26 -6.748 -36.978 -10.611 1.00-14.97 C ATOM 321 1HB CYS A 26 -5.862 -37.080 -9.987 1.00-14.97 H ATOM 322 2HB CYS A 26 -7.150 -37.973 -10.798 1.00-14.97 H ATOM 323 SG CYS A 26 -6.282 -36.238 -12.202 1.00-14.97 S ATOM 324 N THR A 27 -9.532 -37.139 -8.526 1.00 -0.94 N ATOM 325 H THR A 27 -10.149 -36.723 -9.209 1.00 -0.94 H ATOM 326 CA THR A 27 -10.127 -38.071 -7.593 1.00 -0.94 C ATOM 327 HA THR A 27 -9.602 -38.057 -6.646 1.00 -0.94 H ATOM 328 C THR A 27 -9.961 -39.437 -8.250 1.00 -0.94 C ATOM 329 O THR A 27 -9.365 -39.545 -9.321 1.00 -0.94 O ATOM 330 CB THR A 27 -11.586 -37.699 -7.332 1.00 -0.94 C ATOM 331 HB THR A 27 -12.123 -38.554 -6.924 1.00 -0.94 H ATOM 332 OG1 THR A 27 -12.187 -37.264 -8.552 1.00 -0.94 O ATOM 333 HG1 THR A 27 -12.516 -38.057 -9.004 1.00 -0.94 H ATOM 334 CG2 THR A 27 -11.659 -36.549 -6.348 1.00 -0.94 C ATOM 335 1HG2 THR A 27 -12.703 -36.290 -6.180 1.00 -0.94 H ATOM 336 2HG2 THR A 27 -11.127 -35.682 -6.741 1.00 -0.94 H ATOM 337 3HG2 THR A 27 -11.220 -36.854 -5.398 1.00 -0.94 H ATOM 338 N ARG A 28 -10.428 -40.497 -7.622 1.00 15.23 N ATOM 339 H ARG A 28 -10.925 -40.392 -6.735 1.00 15.23 H ATOM 340 CA ARG A 28 -10.282 -41.841 -8.155 1.00 15.23 C ATOM 341 HA ARG A 28 -10.201 -41.825 -9.236 1.00 15.23 H ATOM 342 C ARG A 28 -11.550 -42.546 -7.766 1.00 15.23 C ATOM 343 O ARG A 28 -12.005 -42.332 -6.647 1.00 15.23 O ATOM 344 CB ARG A 28 -9.064 -42.502 -7.521 1.00 15.23 C ATOM 345 1HB ARG A 28 -8.204 -41.869 -7.706 1.00 15.23 H ATOM 346 2HB ARG A 28 -9.225 -42.543 -6.447 1.00 15.23 H ATOM 347 CG ARG A 28 -8.765 -43.897 -8.029 1.00 15.23 C ATOM 348 1HG ARG A 28 -9.555 -44.562 -7.696 1.00 15.23 H ATOM 349 2HG ARG A 28 -8.742 -43.894 -9.117 1.00 15.23 H ATOM 350 CD ARG A 28 -7.430 -44.412 -7.517 1.00 15.23 C ATOM 351 1HD ARG A 28 -7.341 -45.471 -7.762 1.00 15.23 H ATOM 352 2HD ARG A 28 -6.637 -43.874 -8.039 1.00 15.23 H ATOM 353 NE ARG A 28 -7.237 -44.208 -6.073 1.00 15.23 N ATOM 354 HE ARG A 28 -6.668 -43.407 -5.813 1.00 15.23 H ATOM 355 CZ ARG A 28 -7.713 -44.959 -5.090 1.00 15.23 C ATOM 356 NH1 ARG A 28 -7.216 -44.777 -3.898 1.00 15.23 N ATOM 357 1HH1 ARG A 28 -6.483 -44.100 -3.766 1.00 15.23 H ATOM 358 2HH1 ARG A 28 -7.556 -45.315 -3.122 1.00 15.23 H ATOM 359 NH2 ARG A 28 -8.660 -45.854 -5.226 1.00 15.23 N ATOM 360 1HH2 ARG A 28 -9.161 -45.937 -6.106 1.00 15.23 H ATOM 361 2HH2 ARG A 28 -8.937 -46.432 -4.457 1.00 15.23 H ATOM 362 N ASN A 29 -12.057 -43.355 -8.687 1.00 -4.68 N ATOM 363 H ASN A 29 -11.571 -43.446 -9.572 1.00 -4.68 H ATOM 364 CA ASN A 29 -13.332 -44.058 -8.543 1.00 -4.68 C ATOM 365 HA ASN A 29 -13.546 -44.574 -9.475 1.00 -4.68 H ATOM 366 C ASN A 29 -14.436 -43.020 -8.345 1.00 -4.68 C ATOM 367 O ASN A 29 -15.450 -43.354 -7.710 1.00 -4.68 O ATOM 368 OXT ASN A 29 -14.272 -41.896 -8.881 1.00 -4.68 O ATOM 369 CB ASN A 29 -13.286 -45.095 -7.400 1.00 -4.68 C ATOM 370 1HB ASN A 29 -13.126 -44.580 -6.454 1.00 -4.68 H ATOM 371 2HB ASN A 29 -14.245 -45.608 -7.348 1.00 -4.68 H ATOM 372 CG ASN A 29 -12.194 -46.116 -7.584 1.00 -4.68 C ATOM 373 OD1 ASN A 29 -11.246 -46.213 -6.806 1.00 -4.68 O ATOM 374 ND2 ASN A 29 -12.303 -46.886 -8.631 1.00 -4.68 N ATOM 375 1HD2 ASN A 29 -11.595 -47.574 -8.800 1.00 -4.68 H ATOM 376 2HD2 ASN A 29 -13.088 -46.771 -9.248 1.00 -4.68 H TER 377 ASN A 29 CONECT 68 65 227 CONECT 114 111 248 CONECT 168 165 323 CONECT 227 68 224 CONECT 248 114 245 CONECT 323 168 320 END
SEQUENCE	GLPVCGETCVGGTCNTPGCSCSWPVCTRN
HELICITY	0.00	INSTAB. INDEX	46.59	FLEXIBILITY	16.87
a HYD. MOM.	19.49	b HYD. MOM.	4.27	c HYD. MOM	1.46
a MEAN HYD. MOM.	0.67	b MEAN HYD. MOM.	0.15	c MEAN HYD. MOM.	0.05
CHARGE pH5	0.15	CHARGE pH7	-0.27	CHARGE pH9	-5.11
Δ CHARGE pH5-pH9	5.26	ISOELECTRIC POINT	5.96	BOMAN INDEX	0.70
ΔG	10	CPP	0,78	MLP	-7,77
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	Magnoliophyta	CLASS	Magnoliopsida	ORDER	Violales
FAMILY	Violaceae	GENUS	Viola	SPECIES	Viola tricolor
DATE	2004
TITLE PAPER	Cytotoxic cyclotides from Viola tricolor.