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ID	1725	NAME	Varv peptide E   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\GLPICGETCVGGTCNTPGCSCSWPVCTRN.pdb REMARK YASARA Written on: Wed May 14 13:58:51 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 379 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 ILE 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 -10.815 -37.734 0.895 1.00-26.35 N ATOM 2 1H GLY A 1 -10.846 -36.925 1.500 1.00-26.35 H ATOM 3 2H GLY A 1 -9.856 -38.028 0.772 1.00-26.35 H ATOM 4 3H GLY A 1 -11.340 -38.490 1.311 1.00-26.35 H ATOM 5 CA GLY A 1 -11.398 -37.398 -0.420 1.00-26.35 C ATOM 6 1HA GLY A 1 -12.431 -37.080 -0.288 1.00-26.35 H ATOM 7 2HA GLY A 1 -10.821 -36.597 -0.880 1.00-26.35 H ATOM 8 C GLY A 1 -11.365 -38.604 -1.314 1.00-26.35 C ATOM 9 O GLY A 1 -11.037 -39.654 -0.785 1.00-26.35 O ATOM 10 N LEU A 2 -11.673 -38.475 -2.597 1.00 3.97 N ATOM 11 H LEU A 2 -11.946 -37.586 -2.981 1.00 3.97 H ATOM 12 CA LEU A 2 -11.565 -39.595 -3.532 1.00 3.97 C ATOM 13 HA LEU A 2 -12.161 -40.430 -3.169 1.00 3.97 H ATOM 14 C LEU A 2 -10.076 -39.968 -3.576 1.00 3.97 C ATOM 15 O LEU A 2 -9.238 -39.055 -3.503 1.00 3.97 O ATOM 16 CB LEU A 2 -12.085 -39.129 -4.900 1.00 3.97 C ATOM 17 1HB LEU A 2 -12.995 -38.557 -4.719 1.00 3.97 H ATOM 18 2HB LEU A 2 -11.349 -38.444 -5.318 1.00 3.97 H ATOM 19 CG LEU A 2 -12.431 -40.170 -5.976 1.00 3.97 C ATOM 20 HG LEU A 2 -11.542 -40.758 -6.198 1.00 3.97 H ATOM 21 CD1 LEU A 2 -13.553 -41.099 -5.516 1.00 3.97 C ATOM 22 1HD1 LEU A 2 -13.803 -41.788 -6.327 1.00 3.97 H ATOM 23 2HD1 LEU A 2 -14.439 -40.534 -5.234 1.00 3.97 H ATOM 24 3HD1 LEU A 2 -13.217 -41.714 -4.683 1.00 3.97 H ATOM 25 CD2 LEU A 2 -12.886 -39.455 -7.251 1.00 3.97 C ATOM 26 1HD2 LEU A 2 -13.017 -40.191 -8.045 1.00 3.97 H ATOM 27 2HD2 LEU A 2 -12.139 -38.729 -7.567 1.00 3.97 H ATOM 28 3HD2 LEU A 2 -13.831 -38.939 -7.081 1.00 3.97 H ATOM 29 N PRO A 3 -9.719 -41.267 -3.601 1.00 19.75 N ATOM 30 CA PRO A 3 -8.277 -41.548 -3.552 1.00 19.75 C ATOM 31 HA PRO A 3 -7.857 -41.128 -2.639 1.00 19.75 H ATOM 32 C PRO A 3 -7.527 -41.011 -4.764 1.00 19.75 C ATOM 33 O PRO A 3 -8.062 -40.938 -5.865 1.00 19.75 O ATOM 34 CB PRO A 3 -8.215 -43.078 -3.509 1.00 19.75 C ATOM 35 1HB PRO A 3 -8.057 -43.471 -4.509 1.00 19.75 H ATOM 36 2HB PRO A 3 -7.425 -43.417 -2.840 1.00 19.75 H ATOM 37 CG PRO A 3 -9.546 -43.494 -3.005 1.00 19.75 C ATOM 38 1HG PRO A 3 -9.775 -44.518 -3.301 1.00 19.75 H ATOM 39 2HG PRO A 3 -9.585 -43.387 -1.921 1.00 19.75 H ATOM 40 CD PRO A 3 -10.487 -42.524 -3.650 1.00 19.75 C ATOM 41 1HD PRO A 3 -10.683 -42.807 -4.686 1.00 19.75 H ATOM 42 2HD PRO A 3 -11.414 -42.456 -3.082 1.00 19.75 H ATOM 43 N ILE A 4 -6.286 -40.601 -4.552 1.00-12.68 N ATOM 44 H ILE A 4 -5.867 -40.719 -3.646 1.00-12.68 H ATOM 45 CA ILE A 4 -5.519 -39.910 -5.586 1.00-12.68 C ATOM 46 HA ILE A 4 -6.210 -39.542 -6.337 1.00-12.68 H ATOM 47 C ILE A 4 -4.528 -40.827 -6.298 1.00-12.68 C ATOM 48 O ILE A 4 -4.174 -41.898 -5.801 1.00-12.68 O ATOM 49 CB ILE A 4 -4.796 -38.660 -5.000 1.00-12.68 C ATOM 50 HB ILE A 4 -4.300 -38.141 -5.821 1.00-12.68 H ATOM 51 CG1 ILE A 4 -3.721 -39.061 -3.969 1.00-12.68 C ATOM 52 1HG1 ILE A 4 -4.212 -39.470 -3.086 1.00-12.68 H ATOM 53 2HG1 ILE A 4 -3.093 -39.841 -4.397 1.00-12.68 H ATOM 54 CG2 ILE A 4 -5.842 -37.692 -4.389 1.00-12.68 C ATOM 55 1HG2 ILE A 4 -5.362 -36.763 -4.082 1.00-12.68 H ATOM 56 2HG2 ILE A 4 -6.335 -38.142 -3.526 1.00-12.68 H ATOM 57 3HG2 ILE A 4 -6.598 -37.449 -5.138 1.00-12.68 H ATOM 58 CD1 ILE A 4 -2.793 -37.922 -3.522 1.00-12.68 C ATOM 59 1HD1 ILE A 4 -2.007 -38.328 -2.884 1.00-12.68 H ATOM 60 2HD1 ILE A 4 -3.352 -37.177 -2.957 1.00-12.68 H ATOM 61 3HD1 ILE A 4 -2.334 -37.449 -4.391 1.00-12.68 H ATOM 62 N CYS A 5 -4.062 -40.385 -7.456 1.00 22.05 N ATOM 63 H CYS A 5 -4.483 -39.548 -7.866 1.00 22.05 H ATOM 64 CA CYS A 5 -2.980 -41.049 -8.181 1.00 22.05 C ATOM 65 HA CYS A 5 -2.931 -42.097 -7.887 1.00 22.05 H ATOM 66 C CYS A 5 -1.632 -40.393 -7.896 1.00 22.05 C ATOM 67 O CYS A 5 -0.600 -40.876 -8.331 1.00 22.05 O ATOM 68 CB CYS A 5 -3.244 -40.973 -9.684 1.00 22.05 C ATOM 69 1HB CYS A 5 -3.165 -39.939 -10.013 1.00 22.05 H ATOM 70 2HB CYS A 5 -2.483 -41.558 -10.205 1.00 22.05 H ATOM 71 SG CYS A 5 -4.891 -41.612 -10.103 1.00 22.05 S ATOM 72 N GLY A 6 -1.655 -39.248 -7.228 1.00 2.86 N ATOM 73 H GLY A 6 -2.533 -38.876 -6.911 1.00 2.86 H ATOM 74 CA GLY A 6 -0.446 -38.476 -6.961 1.00 2.86 C ATOM 75 1HA GLY A 6 -0.609 -37.861 -6.077 1.00 2.86 H ATOM 76 2HA GLY A 6 0.388 -39.151 -6.766 1.00 2.86 H ATOM 77 C GLY A 6 -0.075 -37.561 -8.114 1.00 2.86 C ATOM 78 O GLY A 6 0.408 -36.453 -7.912 1.00 2.86 O ATOM 79 N GLU A 7 -0.378 -38.001 -9.325 1.00 4.03 N ATOM 80 H GLU A 7 -0.725 -38.941 -9.426 1.00 4.03 H ATOM 81 CA GLU A 7 -0.253 -37.175 -10.520 1.00 4.03 C ATOM 82 HA GLU A 7 0.766 -36.796 -10.601 1.00 4.03 H ATOM 83 C GLU A 7 -1.224 -35.996 -10.404 1.00 4.03 C ATOM 84 O GLU A 7 -2.352 -36.148 -9.923 1.00 4.03 O ATOM 85 CB GLU A 7 -0.591 -38.026 -11.751 1.00 4.03 C ATOM 86 1HB GLU A 7 0.030 -38.922 -11.731 1.00 4.03 H ATOM 87 2HB GLU A 7 -1.633 -38.331 -11.674 1.00 4.03 H ATOM 88 CG GLU A 7 -0.378 -37.317 -13.087 1.00 4.03 C ATOM 89 1HG GLU A 7 -0.953 -36.391 -13.095 1.00 4.03 H ATOM 90 2HG GLU A 7 0.679 -37.066 -13.181 1.00 4.03 H ATOM 91 CD GLU A 7 -0.803 -38.151 -14.288 1.00 4.03 C ATOM 92 OE1 GLU A 7 -1.428 -39.223 -14.137 1.00 4.03 O ATOM 93 OE2 GLU A 7 -0.525 -37.731 -15.424 1.00 4.03 O ATOM 94 N THR A 8 -0.811 -34.823 -10.855 1.00 -8.66 N ATOM 95 H THR A 8 0.119 -34.709 -11.232 1.00 -8.66 H ATOM 96 CA THR A 8 -1.671 -33.649 -10.850 1.00 -8.66 C ATOM 97 HA THR A 8 -2.561 -33.847 -10.263 1.00 -8.66 H ATOM 98 C THR A 8 -2.124 -33.328 -12.272 1.00 -8.66 C ATOM 99 O THR A 8 -1.337 -32.934 -13.133 1.00 -8.66 O ATOM 100 CB THR A 8 -0.940 -32.458 -10.203 1.00 -8.66 C ATOM 101 HB THR A 8 -1.488 -31.536 -10.397 1.00 -8.66 H ATOM 102 OG1 THR A 8 0.387 -32.372 -10.727 1.00 -8.66 O ATOM 103 HG1 THR A 8 0.827 -31.630 -10.310 1.00 -8.66 H ATOM 104 CG2 THR A 8 -0.803 -32.656 -8.700 1.00 -8.66 C ATOM 105 1HG2 THR A 8 -0.312 -31.789 -8.262 1.00 -8.66 H ATOM 106 2HG2 THR A 8 -0.210 -33.549 -8.491 1.00 -8.66 H ATOM 107 3HG2 THR A 8 -1.791 -32.767 -8.252 1.00 -8.66 H ATOM 108 N CYS A 9 -3.416 -33.485 -12.524 1.00 15.11 N ATOM 109 H CYS A 9 -4.029 -33.776 -11.781 1.00 15.11 H ATOM 110 CA CYS A 9 -4.014 -33.187 -13.822 1.00 15.11 C ATOM 111 HA CYS A 9 -3.337 -33.531 -14.605 1.00 15.11 H ATOM 112 C CYS A 9 -4.234 -31.691 -14.020 1.00 15.11 C ATOM 113 O CYS A 9 -5.340 -31.246 -14.300 1.00 15.11 O ATOM 114 CB CYS A 9 -5.347 -33.916 -13.994 1.00 15.11 C ATOM 115 1HB CYS A 9 -5.768 -33.632 -14.957 1.00 15.11 H ATOM 116 2HB CYS A 9 -5.147 -34.977 -14.041 1.00 15.11 H ATOM 117 SG CYS A 9 -6.600 -33.632 -12.707 1.00 15.11 S ATOM 118 N VAL A 10 -3.177 -30.901 -13.930 1.00 -4.16 N ATOM 119 H VAL A 10 -2.277 -31.314 -13.685 1.00 -4.16 H ATOM 120 CA VAL A 10 -3.275 -29.461 -14.172 1.00 -4.16 C ATOM 121 HA VAL A 10 -4.049 -29.050 -13.523 1.00 -4.16 H ATOM 122 C VAL A 10 -3.700 -29.251 -15.630 1.00 -4.16 C ATOM 123 O VAL A 10 -4.495 -28.370 -15.942 1.00 -4.16 O ATOM 124 CB VAL A 10 -1.929 -28.750 -13.856 1.00 -4.16 C ATOM 125 HB VAL A 10 -1.172 -29.112 -14.551 1.00 -4.16 H ATOM 126 CG1 VAL A 10 -2.052 -27.228 -14.004 1.00 -4.16 C ATOM 127 1HG1 VAL A 10 -1.098 -26.755 -13.770 1.00 -4.16 H ATOM 128 2HG1 VAL A 10 -2.820 -26.844 -13.330 1.00 -4.16 H ATOM 129 3HG1 VAL A 10 -2.319 -26.973 -15.031 1.00 -4.16 H ATOM 130 CG2 VAL A 10 -1.466 -29.089 -12.425 1.00 -4.16 C ATOM 131 1HG2 VAL A 10 -0.572 -28.512 -12.181 1.00 -4.16 H ATOM 132 2HG2 VAL A 10 -1.212 -30.146 -12.350 1.00 -4.16 H ATOM 133 3HG2 VAL A 10 -2.252 -28.853 -11.706 1.00 -4.16 H ATOM 134 N GLY A 11 -3.272 -30.157 -16.502 1.00 0.46 N ATOM 135 H GLY A 11 -2.638 -30.877 -16.194 1.00 0.46 H ATOM 136 CA GLY A 11 -3.708 -30.158 -17.893 1.00 0.46 C ATOM 137 1HA GLY A 11 -3.740 -29.128 -18.250 1.00 0.46 H ATOM 138 2HA GLY A 11 -2.968 -30.695 -18.486 1.00 0.46 H ATOM 139 C GLY A 11 -5.068 -30.788 -18.159 1.00 0.46 C ATOM 140 O GLY A 11 -5.403 -31.064 -19.305 1.00 0.46 O ATOM 141 N GLY A 12 -5.836 -31.078 -17.117 1.00 0.88 N ATOM 142 H GLY A 12 -5.512 -30.874 -16.175 1.00 0.88 H ATOM 143 CA GLY A 12 -7.167 -31.656 -17.260 1.00 0.88 C ATOM 144 1HA GLY A 12 -7.729 -31.452 -16.349 1.00 0.88 H ATOM 145 2HA GLY A 12 -7.675 -31.157 -18.086 1.00 0.88 H ATOM 146 C GLY A 12 -7.218 -33.149 -17.524 1.00 0.88 C ATOM 147 O GLY A 12 -8.283 -33.756 -17.508 1.00 0.88 O ATOM 148 N THR A 13 -6.066 -33.748 -17.782 1.00 -2.10 N ATOM 149 H THR A 13 -5.211 -33.219 -17.745 1.00 -2.10 H ATOM 150 CA THR A 13 -5.959 -35.151 -18.170 1.00 -2.10 C ATOM 151 HA THR A 13 -6.899 -35.674 -17.997 1.00 -2.10 H ATOM 152 C THR A 13 -4.872 -35.795 -17.322 1.00 -2.10 C ATOM 153 O THR A 13 -4.085 -35.084 -16.700 1.00 -2.10 O ATOM 154 CB THR A 13 -5.576 -35.260 -19.664 1.00 -2.10 C ATOM 155 HB THR A 13 -5.346 -36.297 -19.909 1.00 -2.10 H ATOM 156 OG1 THR A 13 -4.443 -34.428 -19.920 1.00 -2.10 O ATOM 157 HG1 THR A 13 -4.759 -33.527 -20.049 1.00 -2.10 H ATOM 158 CG2 THR A 13 -6.690 -34.765 -20.575 1.00 -2.10 C ATOM 159 1HG2 THR A 13 -6.396 -34.916 -21.613 1.00 -2.10 H ATOM 160 2HG2 THR A 13 -6.875 -33.703 -20.408 1.00 -2.10 H ATOM 161 3HG2 THR A 13 -7.606 -35.323 -20.379 1.00 -2.10 H ATOM 162 N CYS A 14 -4.851 -37.120 -17.291 1.00-11.71 N ATOM 163 H CYS A 14 -5.494 -37.648 -17.860 1.00-11.71 H ATOM 164 CA CYS A 14 -3.901 -37.897 -16.499 1.00-11.71 C ATOM 165 HA CYS A 14 -3.146 -37.252 -16.047 1.00-11.71 H ATOM 166 C CYS A 14 -3.251 -38.882 -17.457 1.00-11.71 C ATOM 167 O CYS A 14 -3.876 -39.256 -18.449 1.00-11.71 O ATOM 168 CB CYS A 14 -4.649 -38.683 -15.419 1.00-11.71 C ATOM 169 1HB CYS A 14 -5.365 -39.345 -15.907 1.00-11.71 H ATOM 170 2HB CYS A 14 -3.937 -39.295 -14.863 1.00-11.71 H ATOM 171 SG CYS A 14 -5.546 -37.609 -14.259 1.00-11.71 S ATOM 172 N ASN A 15 -2.031 -39.308 -17.177 1.00 -3.37 N ATOM 173 H ASN A 15 -1.523 -38.878 -16.391 1.00 -3.37 H ATOM 174 CA ASN A 15 -1.361 -40.353 -17.954 1.00 -3.37 C ATOM 175 HA ASN A 15 -1.921 -40.568 -18.864 1.00 -3.37 H ATOM 176 C ASN A 15 -1.300 -41.650 -17.153 1.00 -3.37 C ATOM 177 O ASN A 15 -1.129 -42.724 -17.728 1.00 -3.37 O ATOM 178 CB ASN A 15 0.065 -39.926 -18.337 1.00 -3.37 C ATOM 179 1HB ASN A 15 0.550 -39.470 -17.474 1.00 -3.37 H ATOM 180 2HB ASN A 15 0.625 -40.816 -18.622 1.00 -3.37 H ATOM 181 CG ASN A 15 0.121 -38.963 -19.514 1.00 -3.37 C ATOM 182 OD1 ASN A 15 1.181 -38.741 -20.073 1.00 -3.37 O ATOM 183 ND2 ASN A 15 -0.994 -38.409 -19.919 1.00 -3.37 N ATOM 184 1HD2 ASN A 15 -0.954 -37.770 -20.692 1.00 -3.37 H ATOM 185 2HD2 ASN A 15 -1.862 -38.616 -19.450 1.00 -3.37 H ATOM 186 N THR A 16 -1.451 -41.576 -15.838 1.00 0.37 N ATOM 187 H THR A 16 -1.568 -40.675 -15.376 1.00 0.37 H ATOM 188 CA THR A 16 -1.462 -42.787 -15.017 1.00 0.37 C ATOM 189 HA THR A 16 -0.569 -43.359 -15.250 1.00 0.37 H ATOM 190 C THR A 16 -2.720 -43.602 -15.352 1.00 0.37 C ATOM 191 O THR A 16 -3.837 -43.061 -15.331 1.00 0.37 O ATOM 192 CB THR A 16 -1.444 -42.443 -13.513 1.00 0.37 C ATOM 193 HB THR A 16 -2.372 -41.943 -13.248 1.00 0.37 H ATOM 194 OG1 THR A 16 -0.356 -41.557 -13.245 1.00 0.37 O ATOM 195 HG1 THR A 16 -0.627 -40.666 -13.543 1.00 0.37 H ATOM 196 CG2 THR A 16 -1.248 -43.668 -12.633 1.00 0.37 C ATOM 197 1HG2 THR A 16 -1.173 -43.348 -11.594 1.00 0.37 H ATOM 198 2HG2 THR A 16 -0.329 -44.183 -12.913 1.00 0.37 H ATOM 199 3HG2 THR A 16 -2.100 -44.343 -12.735 1.00 0.37 H ATOM 200 N PRO A 17 -2.572 -44.896 -15.702 1.00-12.14 N ATOM 201 CA PRO A 17 -3.797 -45.625 -16.055 1.00-12.14 C ATOM 202 HA PRO A 17 -4.267 -45.153 -16.917 1.00-12.14 H ATOM 203 C PRO A 17 -4.807 -45.742 -14.918 1.00-12.14 C ATOM 204 O PRO A 17 -4.448 -45.829 -13.746 1.00-12.14 O ATOM 205 CB PRO A 17 -3.277 -47.018 -16.429 1.00-12.14 C ATOM 206 1HB PRO A 17 -3.323 -47.678 -15.562 1.00-12.14 H ATOM 207 2HB PRO A 17 -3.847 -47.437 -17.258 1.00-12.14 H ATOM 208 CG PRO A 17 -1.865 -46.792 -16.823 1.00-12.14 C ATOM 209 1HG PRO A 17 -1.283 -47.711 -16.747 1.00-12.14 H ATOM 210 2HG PRO A 17 -1.820 -46.387 -17.835 1.00-12.14 H ATOM 211 CD PRO A 17 -1.391 -45.769 -15.837 1.00-12.14 C ATOM 212 1HD PRO A 17 -1.148 -46.234 -14.880 1.00-12.14 H ATOM 213 2HD PRO A 17 -0.535 -45.225 -16.239 1.00-12.14 H ATOM 214 N GLY A 18 -6.084 -45.742 -15.274 1.00-21.03 N ATOM 215 H GLY A 18 -6.332 -45.633 -16.245 1.00-21.03 H ATOM 216 CA GLY A 18 -7.153 -45.883 -14.295 1.00-21.03 C ATOM 217 1HA GLY A 18 -8.030 -46.299 -14.790 1.00-21.03 H ATOM 218 2HA GLY A 18 -6.830 -46.578 -13.519 1.00-21.03 H ATOM 219 C GLY A 18 -7.554 -44.584 -13.625 1.00-21.03 C ATOM 220 O GLY A 18 -8.562 -44.536 -12.922 1.00-21.03 O ATOM 221 N CYS A 19 -6.778 -43.532 -13.827 1.00 4.72 N ATOM 222 H CYS A 19 -5.949 -43.612 -14.402 1.00 4.72 H ATOM 223 CA CYS A 19 -7.083 -42.241 -13.230 1.00 4.72 C ATOM 224 HA CYS A 19 -7.516 -42.412 -12.248 1.00 4.72 H ATOM 225 C CYS A 19 -8.087 -41.419 -14.033 1.00 4.72 C ATOM 226 O CYS A 19 -8.275 -41.596 -15.234 1.00 4.72 O ATOM 227 CB CYS A 19 -5.784 -41.467 -13.030 1.00 4.72 C ATOM 228 1HB CYS A 19 -5.309 -41.313 -13.999 1.00 4.72 H ATOM 229 2HB CYS A 19 -6.002 -40.502 -12.578 1.00 4.72 H ATOM 230 SG CYS A 19 -4.663 -42.413 -11.950 1.00 4.72 S ATOM 231 N SER A 20 -8.703 -40.495 -13.319 1.00-17.78 N ATOM 232 H SER A 20 -8.465 -40.415 -12.332 1.00-17.78 H ATOM 233 CA SER A 20 -9.690 -39.546 -13.812 1.00-17.78 C ATOM 234 HA SER A 20 -9.693 -39.494 -14.901 1.00-17.78 H ATOM 235 C SER A 20 -9.196 -38.243 -13.204 1.00-17.78 C ATOM 236 O SER A 20 -8.307 -38.294 -12.358 1.00-17.78 O ATOM 237 CB SER A 20 -11.069 -39.913 -13.265 1.00-17.78 C ATOM 238 1HB SER A 20 -11.804 -39.184 -13.608 1.00-17.78 H ATOM 239 2HB SER A 20 -11.348 -40.901 -13.631 1.00-17.78 H ATOM 240 OG SER A 20 -11.043 -39.930 -11.846 1.00-17.78 O ATOM 241 HG SER A 20 -10.393 -40.587 -11.557 1.00-17.78 H ATOM 242 N CYS A 21 -9.720 -37.095 -13.603 1.00-10.22 N ATOM 243 H CYS A 21 -10.480 -37.084 -14.265 1.00-10.22 H ATOM 244 CA CYS A 21 -9.229 -35.818 -13.088 1.00-10.22 C ATOM 245 HA CYS A 21 -8.311 -35.974 -12.525 1.00-10.22 H ATOM 246 C CYS A 21 -10.240 -35.141 -12.167 1.00-10.22 C ATOM 247 O CYS A 21 -11.310 -34.734 -12.613 1.00-10.22 O ATOM 248 CB CYS A 21 -8.911 -34.894 -14.267 1.00-10.22 C ATOM 249 1HB CYS A 21 -8.178 -35.382 -14.910 1.00-10.22 H ATOM 250 2HB CYS A 21 -9.823 -34.743 -14.845 1.00-10.22 H ATOM 251 SG CYS A 21 -8.273 -33.256 -13.791 1.00-10.22 S ATOM 252 N SER A 22 -9.873 -34.962 -10.907 1.00 20.58 N ATOM 253 H SER A 22 -8.985 -35.334 -10.573 1.00 20.58 H ATOM 254 CA SER A 22 -10.618 -34.115 -9.977 1.00 20.58 C ATOM 255 HA SER A 22 -11.600 -33.868 -10.378 1.00 20.58 H ATOM 256 C SER A 22 -9.764 -32.861 -9.879 1.00 20.58 C ATOM 257 O SER A 22 -8.862 -32.776 -9.050 1.00 20.58 O ATOM 258 CB SER A 22 -10.768 -34.774 -8.609 1.00 20.58 C ATOM 259 1HB SER A 22 -9.782 -35.010 -8.209 1.00 20.58 H ATOM 260 2HB SER A 22 -11.269 -34.081 -7.933 1.00 20.58 H ATOM 261 OG SER A 22 -11.533 -35.965 -8.710 1.00 20.58 O ATOM 262 HG SER A 22 -10.964 -36.667 -9.065 1.00 20.58 H ATOM 263 N TRP A 23 -9.951 -31.961 -10.833 1.00 -7.71 N ATOM 264 H TRP A 23 -10.773 -32.022 -11.413 1.00 -7.71 H ATOM 265 CA TRP A 23 -8.962 -30.923 -11.123 1.00 -7.71 C ATOM 266 HA TRP A 23 -8.076 -31.418 -11.508 1.00 -7.71 H ATOM 267 C TRP A 23 -8.569 -30.111 -9.885 1.00 -7.71 C ATOM 268 O TRP A 23 -9.442 -29.667 -9.138 1.00 -7.71 O ATOM 269 CB TRP A 23 -9.506 -29.988 -12.210 1.00 -7.71 C ATOM 270 1HB TRP A 23 -9.929 -30.594 -13.011 1.00 -7.71 H ATOM 271 2HB TRP A 23 -10.299 -29.372 -11.786 1.00 -7.71 H ATOM 272 CG TRP A 23 -8.451 -29.098 -12.803 1.00 -7.71 C ATOM 273 CD1 TRP A 23 -7.711 -29.342 -13.915 1.00 -7.71 C ATOM 274 HD1 TRP A 23 -7.813 -30.228 -14.529 1.00 -7.71 H ATOM 275 CD2 TRP A 23 -7.984 -27.828 -12.307 1.00 -7.71 C ATOM 276 NE1 TRP A 23 -6.808 -28.344 -14.148 1.00 -7.71 N ATOM 277 HE1 TRP A 23 -6.149 -28.327 -14.927 1.00 -7.71 H ATOM 278 CE2 TRP A 23 -6.918 -27.412 -13.156 1.00 -7.71 C ATOM 279 CE3 TRP A 23 -8.321 -27.022 -11.200 1.00 -7.71 C ATOM 280 HE3 TRP A 23 -9.130 -27.306 -10.543 1.00 -7.71 H ATOM 281 CZ2 TRP A 23 -6.169 -26.244 -12.913 1.00 -7.71 C ATOM 282 HZ2 TRP A 23 -5.365 -25.957 -13.574 1.00 -7.71 H ATOM 283 CZ3 TRP A 23 -7.571 -25.842 -10.951 1.00 -7.71 C ATOM 284 HZ3 TRP A 23 -7.816 -25.221 -10.101 1.00 -7.71 H ATOM 285 CH2 TRP A 23 -6.496 -25.472 -11.812 1.00 -7.71 C ATOM 286 HH2 TRP A 23 -5.935 -24.572 -11.606 1.00 -7.71 H ATOM 287 N PRO A 24 -7.261 -29.877 -9.659 1.00 12.50 N ATOM 288 CA PRO A 24 -6.024 -30.236 -10.369 1.00 12.50 C ATOM 289 HA PRO A 24 -6.184 -30.180 -11.446 1.00 12.50 H ATOM 290 C PRO A 24 -5.362 -31.584 -10.038 1.00 12.50 C ATOM 291 O PRO A 24 -4.187 -31.745 -10.338 1.00 12.50 O ATOM 292 CB PRO A 24 -5.100 -29.087 -9.957 1.00 12.50 C ATOM 293 1HB PRO A 24 -4.047 -29.341 -10.061 1.00 12.50 H ATOM 294 2HB PRO A 24 -5.330 -28.195 -10.539 1.00 12.50 H ATOM 295 CG PRO A 24 -5.451 -28.879 -8.538 1.00 12.50 C ATOM 296 1HG PRO A 24 -4.971 -29.641 -7.923 1.00 12.50 H ATOM 297 2HG PRO A 24 -5.155 -27.884 -8.208 1.00 12.50 H ATOM 298 CD PRO A 24 -6.953 -29.037 -8.485 1.00 12.50 C ATOM 299 1HD PRO A 24 -7.256 -29.530 -7.560 1.00 12.50 H ATOM 300 2HD PRO A 24 -7.437 -28.063 -8.581 1.00 12.50 H ATOM 301 N VAL A 25 -6.032 -32.544 -9.409 1.00 -8.76 N ATOM 302 H VAL A 25 -7.026 -32.437 -9.196 1.00 -8.76 H ATOM 303 CA VAL A 25 -5.382 -33.793 -8.967 1.00 -8.76 C ATOM 304 HA VAL A 25 -4.335 -33.767 -9.250 1.00 -8.76 H ATOM 305 C VAL A 25 -6.010 -35.038 -9.607 1.00 -8.76 C ATOM 306 O VAL A 25 -7.229 -35.174 -9.682 1.00 -8.76 O ATOM 307 CB VAL A 25 -5.435 -33.911 -7.412 1.00 -8.76 C ATOM 308 HB VAL A 25 -6.471 -34.043 -7.103 1.00 -8.76 H ATOM 309 CG1 VAL A 25 -4.606 -35.105 -6.910 1.00 -8.76 C ATOM 310 1HG1 VAL A 25 -4.584 -35.108 -5.821 1.00 -8.76 H ATOM 311 2HG1 VAL A 25 -3.584 -35.046 -7.291 1.00 -8.76 H ATOM 312 3HG1 VAL A 25 -5.064 -36.036 -7.243 1.00 -8.76 H ATOM 313 CG2 VAL A 25 -4.899 -32.626 -6.749 1.00 -8.76 C ATOM 314 1HG2 VAL A 25 -4.842 -32.761 -5.669 1.00 -8.76 H ATOM 315 2HG2 VAL A 25 -5.580 -31.798 -6.945 1.00 -8.76 H ATOM 316 3HG2 VAL A 25 -3.909 -32.383 -7.136 1.00 -8.76 H ATOM 317 N CYS A 26 -5.194 -35.964 -10.090 1.00-14.44 N ATOM 318 H CYS A 26 -4.181 -35.864 -10.020 1.00-14.44 H ATOM 319 CA CYS A 26 -5.725 -37.203 -10.645 1.00-14.44 C ATOM 320 HA CYS A 26 -6.547 -36.972 -11.318 1.00-14.44 H ATOM 321 C CYS A 26 -6.236 -38.088 -9.514 1.00-14.44 C ATOM 322 O CYS A 26 -5.574 -38.231 -8.483 1.00-14.44 O ATOM 323 CB CYS A 26 -4.642 -37.954 -11.414 1.00-14.44 C ATOM 324 1HB CYS A 26 -3.782 -38.088 -10.761 1.00-14.44 H ATOM 325 2HB CYS A 26 -5.021 -38.933 -11.696 1.00-14.44 H ATOM 326 SG CYS A 26 -4.119 -37.084 -12.916 1.00-14.44 S ATOM 327 N THR A 27 -7.395 -38.691 -9.717 1.00 -1.88 N ATOM 328 H THR A 27 -7.877 -38.548 -10.604 1.00 -1.88 H ATOM 329 CA THR A 27 -8.066 -39.534 -8.729 1.00 -1.88 C ATOM 330 HA THR A 27 -7.401 -39.751 -7.902 1.00 -1.88 H ATOM 331 C THR A 27 -8.491 -40.855 -9.351 1.00 -1.88 C ATOM 332 O THR A 27 -8.663 -40.922 -10.564 1.00 -1.88 O ATOM 333 CB THR A 27 -9.313 -38.823 -8.197 1.00 -1.88 C ATOM 334 HB THR A 27 -9.942 -39.538 -7.670 1.00 -1.88 H ATOM 335 OG1 THR A 27 -10.026 -38.241 -9.296 1.00 -1.88 O ATOM 336 HG1 THR A 27 -10.394 -38.952 -9.837 1.00 -1.88 H ATOM 337 CG2 THR A 27 -8.940 -37.702 -7.244 1.00 -1.88 C ATOM 338 1HG2 THR A 27 -9.849 -37.216 -6.894 1.00 -1.88 H ATOM 339 2HG2 THR A 27 -8.312 -36.967 -7.748 1.00 -1.88 H ATOM 340 3HG2 THR A 27 -8.413 -38.116 -6.385 1.00 -1.88 H ATOM 341 N ARG A 28 -8.619 -41.906 -8.554 1.00 19.54 N ATOM 342 H ARG A 28 -8.530 -41.788 -7.537 1.00 19.54 H ATOM 343 CA ARG A 28 -8.833 -43.268 -9.054 1.00 19.54 C ATOM 344 HA ARG A 28 -9.522 -43.275 -9.898 1.00 19.54 H ATOM 345 C ARG A 28 -9.402 -44.072 -7.894 1.00 19.54 C ATOM 346 O ARG A 28 -8.909 -43.912 -6.782 1.00 19.54 O ATOM 347 CB ARG A 28 -7.452 -43.799 -9.464 1.00 19.54 C ATOM 348 1HB ARG A 28 -7.236 -43.466 -10.474 1.00 19.54 H ATOM 349 2HB ARG A 28 -6.754 -43.285 -8.814 1.00 19.54 H ATOM 350 CG ARG A 28 -7.172 -45.305 -9.388 1.00 19.54 C ATOM 351 1HG ARG A 28 -7.824 -45.762 -8.658 1.00 19.54 H ATOM 352 2HG ARG A 28 -7.368 -45.764 -10.357 1.00 19.54 H ATOM 353 CD ARG A 28 -5.733 -45.601 -8.948 1.00 19.54 C ATOM 354 1HD ARG A 28 -5.613 -46.681 -8.845 1.00 19.54 H ATOM 355 2HD ARG A 28 -5.052 -45.249 -9.725 1.00 19.54 H ATOM 356 NE ARG A 28 -5.385 -44.938 -7.676 1.00 19.54 N ATOM 357 HE ARG A 28 -4.839 -44.094 -7.752 1.00 19.54 H ATOM 358 CZ ARG A 28 -5.751 -45.299 -6.452 1.00 19.54 C ATOM 359 NH1 ARG A 28 -5.391 -44.542 -5.454 1.00 19.54 N ATOM 360 1HH1 ARG A 28 -4.868 -43.686 -5.620 1.00 19.54 H ATOM 361 2HH1 ARG A 28 -5.662 -44.787 -4.519 1.00 19.54 H ATOM 362 NH2 ARG A 28 -6.461 -46.360 -6.170 1.00 19.54 N ATOM 363 1HH2 ARG A 28 -6.817 -46.953 -6.915 1.00 19.54 H ATOM 364 2HH2 ARG A 28 -6.705 -46.571 -5.220 1.00 19.54 H ATOM 365 N ASN A 29 -10.353 -44.951 -8.200 1.00 -3.19 N ATOM 366 H ASN A 29 -10.664 -44.989 -9.153 1.00 -3.19 H ATOM 367 CA ASN A 29 -11.057 -45.806 -7.229 1.00 -3.19 C ATOM 368 HA ASN A 29 -11.863 -46.322 -7.744 1.00 -3.19 H ATOM 369 C ASN A 29 -11.714 -44.920 -6.182 1.00 -3.19 C ATOM 370 O ASN A 29 -11.793 -45.310 -5.002 1.00 -3.19 O ATOM 371 OXT ASN A 29 -12.173 -43.844 -6.604 1.00 -3.19 O ATOM 372 CB ASN A 29 -10.148 -46.862 -6.566 1.00 -3.19 C ATOM 373 1HB ASN A 29 -9.346 -46.357 -6.033 1.00 -3.19 H ATOM 374 2HB ASN A 29 -10.738 -47.423 -5.841 1.00 -3.19 H ATOM 375 CG ASN A 29 -9.561 -47.839 -7.546 1.00 -3.19 C ATOM 376 OD1 ASN A 29 -8.351 -47.983 -7.660 1.00 -3.19 O ATOM 377 ND2 ASN A 29 -10.407 -48.534 -8.255 1.00 -3.19 N ATOM 378 1HD2 ASN A 29 -10.047 -49.196 -8.918 1.00 -3.19 H ATOM 379 2HD2 ASN A 29 -11.394 -48.401 -8.121 1.00 -3.19 H TER 380 ASN A 29 CONECT 71 68 230 CONECT 117 114 251 CONECT 171 168 326 CONECT 230 71 227 CONECT 251 117 248 CONECT 326 171 323 END
SEQUENCE	GLPICGETCVGGTCNTPGCSCSWPVCTRN
HELICITY	0.00	INSTAB. INDEX	39.95	FLEXIBILITY	16.84
a HYD. MOM.	15.47	b HYD. MOM.	4.21	c HYD. MOM	1.47
a MEAN HYD. MOM.	0.53	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	0.67
ΔG	10	CPP	0,60	MLP	-7,87
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.