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ID	1737	NAME	Varv peptide F   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\GVPICGETCTLGTCYTAGCSCSWPVCTRN.pdb REMARK YASARA Written on: Wed May 14 14:00:46 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 389 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 VAL PRO ILE CYS GLY GLU THR CYS THR LEU GLY THR SEQRES 2 A 29 CYS TYR THR ALA 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 43.650 -1.760 -12.287 1.00-18.94 N ATOM 2 1H GLY A 1 42.784 -2.048 -11.856 1.00-18.94 H ATOM 3 2H GLY A 1 44.237 -2.565 -12.449 1.00-18.94 H ATOM 4 3H GLY A 1 43.456 -1.311 -13.173 1.00-18.94 H ATOM 5 CA GLY A 1 44.356 -0.811 -11.409 1.00-18.94 C ATOM 6 1HA GLY A 1 43.735 0.071 -11.262 1.00-18.94 H ATOM 7 2HA GLY A 1 44.560 -1.285 -10.451 1.00-18.94 H ATOM 8 C GLY A 1 45.653 -0.401 -12.041 1.00-18.94 C ATOM 9 O GLY A 1 46.284 -1.267 -12.615 1.00-18.94 O ATOM 10 N VAL A 2 46.001 0.876 -11.993 1.00 2.01 N ATOM 11 H VAL A 2 45.574 1.502 -11.332 1.00 2.01 H ATOM 12 CA VAL A 2 46.883 1.493 -12.986 1.00 2.01 C ATOM 13 HA VAL A 2 46.716 0.993 -13.936 1.00 2.01 H ATOM 14 C VAL A 2 48.385 1.437 -12.659 1.00 2.01 C ATOM 15 O VAL A 2 48.841 2.166 -11.771 1.00 2.01 O ATOM 16 CB VAL A 2 46.452 2.999 -13.128 1.00 2.01 C ATOM 17 HB VAL A 2 46.639 3.503 -12.180 1.00 2.01 H ATOM 18 CG1 VAL A 2 47.216 3.744 -14.221 1.00 2.01 C ATOM 19 1HG1 VAL A 2 46.847 4.767 -14.296 1.00 2.01 H ATOM 20 2HG1 VAL A 2 47.076 3.240 -15.176 1.00 2.01 H ATOM 21 3HG1 VAL A 2 48.273 3.782 -13.973 1.00 2.01 H ATOM 22 CG2 VAL A 2 44.941 3.111 -13.418 1.00 2.01 C ATOM 23 1HG2 VAL A 2 44.676 4.152 -13.610 1.00 2.01 H ATOM 24 2HG2 VAL A 2 44.350 2.767 -12.575 1.00 2.01 H ATOM 25 3HG2 VAL A 2 44.688 2.523 -14.303 1.00 2.01 H ATOM 26 N PRO A 3 49.191 0.607 -13.356 1.00 11.49 N ATOM 27 CA PRO A 3 50.554 1.132 -13.496 1.00 11.49 C ATOM 28 HA PRO A 3 51.020 1.242 -12.517 1.00 11.49 H ATOM 29 C PRO A 3 50.610 2.449 -14.263 1.00 11.49 C ATOM 30 O PRO A 3 50.147 2.561 -15.402 1.00 11.49 O ATOM 31 CB PRO A 3 51.270 0.040 -14.302 1.00 11.49 C ATOM 32 1HB PRO A 3 51.236 0.267 -15.368 1.00 11.49 H ATOM 33 2HB PRO A 3 52.302 -0.072 -13.971 1.00 11.49 H ATOM 34 CG PRO A 3 50.495 -1.181 -14.029 1.00 11.49 C ATOM 35 1HG PRO A 3 50.659 -1.931 -14.803 1.00 11.49 H ATOM 36 2HG PRO A 3 50.753 -1.576 -13.045 1.00 11.49 H ATOM 37 CD PRO A 3 49.080 -0.695 -14.040 1.00 11.49 C ATOM 38 1HD PRO A 3 48.729 -0.575 -15.061 1.00 11.49 H ATOM 39 2HD PRO A 3 48.450 -1.384 -13.487 1.00 11.49 H ATOM 40 N ILE A 4 51.220 3.453 -13.661 1.00-33.15 N ATOM 41 H ILE A 4 51.538 3.351 -12.709 1.00-33.15 H ATOM 42 CA ILE A 4 51.546 4.677 -14.382 1.00-33.15 C ATOM 43 HA ILE A 4 50.790 4.887 -15.137 1.00-33.15 H ATOM 44 C ILE A 4 52.855 4.276 -15.054 1.00-33.15 C ATOM 45 O ILE A 4 53.768 3.806 -14.385 1.00-33.15 O ATOM 46 CB ILE A 4 51.691 5.897 -13.433 1.00-33.15 C ATOM 47 HB ILE A 4 52.458 5.671 -12.692 1.00-33.15 H ATOM 48 CG1 ILE A 4 50.354 6.137 -12.697 1.00-33.15 C ATOM 49 1HG1 ILE A 4 49.608 6.451 -13.427 1.00-33.15 H ATOM 50 2HG1 ILE A 4 50.014 5.199 -12.260 1.00-33.15 H ATOM 51 CG2 ILE A 4 52.125 7.153 -14.226 1.00-33.15 C ATOM 52 1HG2 ILE A 4 52.218 8.010 -13.558 1.00-33.15 H ATOM 53 2HG2 ILE A 4 51.394 7.385 -15.003 1.00-33.15 H ATOM 54 3HG2 ILE A 4 53.098 6.986 -14.681 1.00-33.15 H ATOM 55 CD1 ILE A 4 50.392 7.173 -11.566 1.00-33.15 C ATOM 56 1HD1 ILE A 4 49.427 7.182 -11.057 1.00-33.15 H ATOM 57 2HD1 ILE A 4 50.584 8.168 -11.967 1.00-33.15 H ATOM 58 3HD1 ILE A 4 51.170 6.910 -10.847 1.00-33.15 H ATOM 59 N CYS A 5 52.935 4.394 -16.371 1.00 18.65 N ATOM 60 H CYS A 5 52.178 4.838 -16.882 1.00 18.65 H ATOM 61 CA CYS A 5 54.083 3.885 -17.119 1.00 18.65 C ATOM 62 HA CYS A 5 54.388 2.933 -16.682 1.00 18.65 H ATOM 63 C CYS A 5 55.270 4.844 -17.054 1.00 18.65 C ATOM 64 O CYS A 5 56.374 4.503 -17.459 1.00 18.65 O ATOM 65 CB CYS A 5 53.697 3.647 -18.581 1.00 18.65 C ATOM 66 1HB CYS A 5 53.498 4.604 -19.052 1.00 18.65 H ATOM 67 2HB CYS A 5 54.544 3.185 -19.090 1.00 18.65 H ATOM 68 SG CYS A 5 52.231 2.582 -18.771 1.00 18.65 S ATOM 69 N GLY A 6 55.027 6.062 -16.589 1.00 -3.67 N ATOM 70 H GLY A 6 54.080 6.312 -16.354 1.00 -3.67 H ATOM 71 CA GLY A 6 56.084 7.043 -16.372 1.00 -3.67 C ATOM 72 1HA GLY A 6 55.739 7.767 -15.635 1.00 -3.67 H ATOM 73 2HA GLY A 6 56.953 6.530 -15.960 1.00 -3.67 H ATOM 74 C GLY A 6 56.538 7.807 -17.601 1.00 -3.67 C ATOM 75 O GLY A 6 56.999 8.939 -17.500 1.00 -3.67 O ATOM 76 N GLU A 7 56.379 7.200 -18.766 1.00 6.56 N ATOM 77 H GLU A 7 56.027 6.256 -18.774 1.00 6.56 H ATOM 78 CA GLU A 7 56.706 7.831 -20.039 1.00 6.56 C ATOM 79 HA GLU A 7 57.764 8.090 -20.053 1.00 6.56 H ATOM 80 C GLU A 7 55.885 9.110 -20.219 1.00 6.56 C ATOM 81 O GLU A 7 54.669 9.123 -20.022 1.00 6.56 O ATOM 82 CB GLU A 7 56.396 6.836 -21.161 1.00 6.56 C ATOM 83 1HB GLU A 7 56.974 5.928 -20.988 1.00 6.56 H ATOM 84 2HB GLU A 7 55.344 6.581 -21.086 1.00 6.56 H ATOM 85 CG GLU A 7 56.673 7.336 -22.571 1.00 6.56 C ATOM 86 1HG GLU A 7 56.165 8.289 -22.720 1.00 6.56 H ATOM 87 2HG GLU A 7 57.747 7.494 -22.681 1.00 6.56 H ATOM 88 CD GLU A 7 56.192 6.368 -23.642 1.00 6.56 C ATOM 89 OE1 GLU A 7 55.483 5.379 -23.349 1.00 6.56 O ATOM 90 OE2 GLU A 7 56.511 6.590 -24.818 1.00 6.56 O ATOM 91 N THR A 8 56.542 10.199 -20.583 1.00-10.69 N ATOM 92 H THR A 8 57.541 10.174 -20.724 1.00-10.69 H ATOM 93 CA THR A 8 55.867 11.477 -20.763 1.00-10.69 C ATOM 94 HA THR A 8 55.007 11.527 -20.097 1.00-10.69 H ATOM 95 C THR A 8 55.363 11.633 -22.195 1.00-10.69 C ATOM 96 O THR A 8 56.059 12.162 -23.067 1.00-10.69 O ATOM 97 CB THR A 8 56.811 12.637 -20.409 1.00-10.69 C ATOM 98 HB THR A 8 56.361 13.584 -20.708 1.00-10.69 H ATOM 99 OG1 THR A 8 58.059 12.447 -21.082 1.00-10.69 O ATOM 100 HG1 THR A 8 57.875 12.451 -22.031 1.00-10.69 H ATOM 101 CG2 THR A 8 57.106 12.669 -18.917 1.00-10.69 C ATOM 102 1HG2 THR A 8 57.783 13.496 -18.704 1.00-10.69 H ATOM 103 2HG2 THR A 8 57.577 11.736 -18.602 1.00-10.69 H ATOM 104 3HG2 THR A 8 56.180 12.812 -18.360 1.00-10.69 H ATOM 105 N CYS A 9 54.142 11.185 -22.440 1.00 14.80 N ATOM 106 H CYS A 9 53.628 10.755 -21.683 1.00 14.80 H ATOM 107 CA CYS A 9 53.470 11.352 -23.726 1.00 14.80 C ATOM 108 HA CYS A 9 54.174 11.095 -24.518 1.00 14.80 H ATOM 109 C CYS A 9 52.994 12.784 -23.978 1.00 14.80 C ATOM 110 O CYS A 9 51.823 13.035 -24.237 1.00 14.80 O ATOM 111 CB CYS A 9 52.277 10.404 -23.830 1.00 14.80 C ATOM 112 1HB CYS A 9 51.777 10.573 -24.782 1.00 14.80 H ATOM 113 2HB CYS A 9 52.661 9.390 -23.847 1.00 14.80 H ATOM 114 SG CYS A 9 51.054 10.543 -22.487 1.00 14.80 S ATOM 115 N THR A 10 53.909 13.737 -24.015 1.00 4.22 N ATOM 116 H THR A 10 54.879 13.512 -23.792 1.00 4.22 H ATOM 117 CA THR A 10 53.575 15.104 -24.410 1.00 4.22 C ATOM 118 HA THR A 10 52.741 15.470 -23.811 1.00 4.22 H ATOM 119 C THR A 10 53.157 15.115 -25.882 1.00 4.22 C ATOM 120 O THR A 10 52.397 15.968 -26.323 1.00 4.22 O ATOM 121 CB THR A 10 54.789 16.020 -24.214 1.00 4.22 C ATOM 122 HB THR A 10 54.583 17.004 -24.635 1.00 4.22 H ATOM 123 OG1 THR A 10 55.914 15.422 -24.861 1.00 4.22 O ATOM 124 HG1 THR A 10 56.670 16.005 -24.747 1.00 4.22 H ATOM 125 CG2 THR A 10 55.146 16.157 -22.741 1.00 4.22 C ATOM 126 1HG2 THR A 10 55.979 16.852 -22.635 1.00 4.22 H ATOM 127 2HG2 THR A 10 55.435 15.191 -22.324 1.00 4.22 H ATOM 128 3HG2 THR A 10 54.291 16.549 -22.189 1.00 4.22 H ATOM 129 N LEU A 11 53.585 14.092 -26.611 1.00-17.19 N ATOM 130 H LEU A 11 54.228 13.445 -26.184 1.00-17.19 H ATOM 131 CA LEU A 11 53.185 13.855 -27.999 1.00-17.19 C ATOM 132 HA LEU A 11 53.193 14.801 -28.543 1.00-17.19 H ATOM 133 C LEU A 11 51.789 13.237 -28.138 1.00-17.19 C ATOM 134 O LEU A 11 51.340 12.952 -29.241 1.00-17.19 O ATOM 135 CB LEU A 11 54.190 12.890 -28.644 1.00-17.19 C ATOM 136 1HB LEU A 11 54.121 11.941 -28.112 1.00-17.19 H ATOM 137 2HB LEU A 11 53.874 12.713 -29.673 1.00-17.19 H ATOM 138 CG LEU A 11 55.671 13.299 -28.680 1.00-17.19 C ATOM 139 HG LEU A 11 56.005 13.500 -27.663 1.00-17.19 H ATOM 140 CD1 LEU A 11 56.499 12.140 -29.229 1.00-17.19 C ATOM 141 1HD1 LEU A 11 57.556 12.412 -29.228 1.00-17.19 H ATOM 142 2HD1 LEU A 11 56.192 11.905 -30.250 1.00-17.19 H ATOM 143 3HD1 LEU A 11 56.369 11.264 -28.594 1.00-17.19 H ATOM 144 CD2 LEU A 11 55.915 14.551 -29.523 1.00-17.19 C ATOM 145 1HD2 LEU A 11 56.981 14.776 -29.549 1.00-17.19 H ATOM 146 2HD2 LEU A 11 55.395 15.402 -29.083 1.00-17.19 H ATOM 147 3HD2 LEU A 11 55.555 14.396 -30.542 1.00-17.19 H ATOM 148 N GLY A 12 51.135 12.938 -27.023 1.00 -3.11 N ATOM 149 H GLY A 12 51.534 13.171 -26.117 1.00 -3.11 H ATOM 150 CA GLY A 12 49.831 12.288 -27.045 1.00 -3.11 C ATOM 151 1HA GLY A 12 49.343 12.447 -26.085 1.00 -3.11 H ATOM 152 2HA GLY A 12 49.218 12.748 -27.822 1.00 -3.11 H ATOM 153 C GLY A 12 49.894 10.797 -27.315 1.00 -3.11 C ATOM 154 O GLY A 12 48.880 10.107 -27.316 1.00 -3.11 O ATOM 155 N THR A 13 51.099 10.299 -27.545 1.00 1.95 N ATOM 156 H THR A 13 51.901 10.897 -27.457 1.00 1.95 H ATOM 157 CA THR A 13 51.335 8.923 -27.969 1.00 1.95 C ATOM 158 HA THR A 13 50.401 8.363 -27.975 1.00 1.95 H ATOM 159 C THR A 13 52.314 8.298 -26.989 1.00 1.95 C ATOM 160 O THR A 13 53.239 8.979 -26.548 1.00 1.95 O ATOM 161 CB THR A 13 51.947 8.927 -29.390 1.00 1.95 C ATOM 162 HB THR A 13 52.946 9.362 -29.350 1.00 1.95 H ATOM 163 OG1 THR A 13 51.127 9.727 -30.247 1.00 1.95 O ATOM 164 HG1 THR A 13 51.115 10.631 -29.911 1.00 1.95 H ATOM 165 CG2 THR A 13 52.018 7.541 -30.006 1.00 1.95 C ATOM 166 1HG2 THR A 13 52.394 7.626 -31.025 1.00 1.95 H ATOM 167 2HG2 THR A 13 51.026 7.091 -30.031 1.00 1.95 H ATOM 168 3HG2 THR A 13 52.700 6.906 -29.437 1.00 1.95 H ATOM 169 N CYS A 14 52.101 7.033 -26.654 1.00 -9.73 N ATOM 170 H CYS A 14 51.343 6.523 -27.079 1.00 -9.73 H ATOM 171 CA CYS A 14 52.981 6.278 -25.769 1.00 -9.73 C ATOM 172 HA CYS A 14 53.761 6.917 -25.352 1.00 -9.73 H ATOM 173 C CYS A 14 53.605 5.189 -26.617 1.00 -9.73 C ATOM 174 O CYS A 14 52.944 4.668 -27.516 1.00 -9.73 O ATOM 175 CB CYS A 14 52.176 5.613 -24.651 1.00 -9.73 C ATOM 176 1HB CYS A 14 51.414 4.973 -25.098 1.00 -9.73 H ATOM 177 2HB CYS A 14 52.847 4.989 -24.058 1.00 -9.73 H ATOM 178 SG CYS A 14 51.376 6.821 -23.557 1.00 -9.73 S ATOM 179 N TYR A 15 54.847 4.850 -26.323 1.00-15.45 N ATOM 180 H TYR A 15 55.357 5.387 -25.611 1.00-15.45 H ATOM 181 CA TYR A 15 55.561 3.789 -27.019 1.00-15.45 C ATOM 182 HA TYR A 15 54.933 3.400 -27.819 1.00-15.45 H ATOM 183 C TYR A 15 55.875 2.640 -26.064 1.00-15.45 C ATOM 184 O TYR A 15 56.245 1.545 -26.490 1.00-15.45 O ATOM 185 CB TYR A 15 56.822 4.379 -27.653 1.00-15.45 C ATOM 186 1HB TYR A 15 57.491 4.720 -26.863 1.00-15.45 H ATOM 187 2HB TYR A 15 57.325 3.606 -28.234 1.00-15.45 H ATOM 188 CG TYR A 15 56.487 5.554 -28.556 1.00-15.45 C ATOM 189 CD1 TYR A 15 56.653 6.882 -28.106 1.00-15.45 C ATOM 190 HD1 TYR A 15 57.068 7.067 -27.125 1.00-15.45 H ATOM 191 CD2 TYR A 15 55.954 5.347 -29.846 1.00-15.45 C ATOM 192 HD2 TYR A 15 55.817 4.341 -30.214 1.00-15.45 H ATOM 193 CE1 TYR A 15 56.259 7.982 -28.911 1.00-15.45 C ATOM 194 HE1 TYR A 15 56.369 8.985 -28.535 1.00-15.45 H ATOM 195 CE2 TYR A 15 55.571 6.450 -30.661 1.00-15.45 C ATOM 196 HE2 TYR A 15 55.156 6.286 -31.644 1.00-15.45 H ATOM 197 CZ TYR A 15 55.721 7.753 -30.179 1.00-15.45 C ATOM 198 OH TYR A 15 55.329 8.817 -30.952 1.00-15.45 O ATOM 199 HH TYR A 15 55.465 9.657 -30.512 1.00-15.45 H ATOM 200 N THR A 16 55.666 2.855 -24.771 1.00 4.75 N ATOM 201 H THR A 16 55.426 3.786 -24.433 1.00 4.75 H ATOM 202 CA THR A 16 55.724 1.757 -23.808 1.00 4.75 C ATOM 203 HA THR A 16 56.650 1.206 -23.967 1.00 4.75 H ATOM 204 C THR A 16 54.530 0.853 -24.101 1.00 4.75 C ATOM 205 O THR A 16 53.382 1.306 -24.169 1.00 4.75 O ATOM 206 CB THR A 16 55.671 2.257 -22.347 1.00 4.75 C ATOM 207 HB THR A 16 54.695 2.698 -22.149 1.00 4.75 H ATOM 208 OG1 THR A 16 56.677 3.252 -22.153 1.00 4.75 O ATOM 209 HG1 THR A 16 56.353 4.074 -22.567 1.00 4.75 H ATOM 210 CG2 THR A 16 55.950 1.145 -21.348 1.00 4.75 C ATOM 211 1HG2 THR A 16 55.955 1.569 -20.344 1.00 4.75 H ATOM 212 2HG2 THR A 16 56.926 0.704 -21.548 1.00 4.75 H ATOM 213 3HG2 THR A 16 55.173 0.382 -21.407 1.00 4.75 H ATOM 214 N ALA A 17 54.800 -0.424 -24.335 1.00 -2.14 N ATOM 215 H ALA A 17 55.745 -0.752 -24.236 1.00 -2.14 H ATOM 216 CA ALA A 17 53.777 -1.343 -24.816 1.00 -2.14 C ATOM 217 HA ALA A 17 53.431 -0.957 -25.776 1.00 -2.14 H ATOM 218 C ALA A 17 52.555 -1.434 -23.895 1.00 -2.14 C ATOM 219 O ALA A 17 52.660 -1.676 -22.688 1.00 -2.14 O ATOM 220 CB ALA A 17 54.394 -2.729 -25.044 1.00 -2.14 C ATOM 221 1HB ALA A 17 55.223 -2.651 -25.750 1.00 -2.14 H ATOM 222 2HB ALA A 17 53.642 -3.402 -25.457 1.00 -2.14 H ATOM 223 3HB ALA A 17 54.756 -3.134 -24.098 1.00 -2.14 H ATOM 224 N GLY A 18 51.386 -1.248 -24.491 1.00-19.98 N ATOM 225 H GLY A 18 51.364 -1.000 -25.470 1.00-19.98 H ATOM 226 CA GLY A 18 50.127 -1.361 -23.774 1.00-19.98 C ATOM 227 1HA GLY A 18 49.342 -1.618 -24.486 1.00-19.98 H ATOM 228 2HA GLY A 18 50.211 -2.168 -23.049 1.00-19.98 H ATOM 229 C GLY A 18 49.702 -0.108 -23.034 1.00-19.98 C ATOM 230 O GLY A 18 48.581 -0.055 -22.537 1.00-19.98 O ATOM 231 N CYS A 19 50.564 0.891 -22.935 1.00 0.30 N ATOM 232 H CYS A 19 51.483 0.833 -23.365 1.00 0.30 H ATOM 233 CA CYS A 19 50.201 2.121 -22.244 1.00 0.30 C ATOM 234 HA CYS A 19 49.587 1.874 -21.381 1.00 0.30 H ATOM 235 C CYS A 19 49.383 3.020 -23.170 1.00 0.30 C ATOM 236 O CYS A 19 49.432 2.899 -24.391 1.00 0.30 O ATOM 237 CB CYS A 19 51.459 2.830 -21.745 1.00 0.30 C ATOM 238 1HB CYS A 19 52.078 3.100 -22.603 1.00 0.30 H ATOM 239 2HB CYS A 19 51.165 3.735 -21.219 1.00 0.30 H ATOM 240 SG CYS A 19 52.425 1.766 -20.622 1.00 0.30 S ATOM 241 N SER A 20 48.639 3.930 -22.566 1.00-18.82 N ATOM 242 H SER A 20 48.681 4.008 -21.550 1.00-18.82 H ATOM 243 CA SER A 20 47.764 4.869 -23.253 1.00-18.82 C ATOM 244 HA SER A 20 48.000 4.920 -24.316 1.00-18.82 H ATOM 245 C SER A 20 48.063 6.202 -22.587 1.00-18.82 C ATOM 246 O SER A 20 48.650 6.215 -21.507 1.00-18.82 O ATOM 247 CB SER A 20 46.306 4.462 -23.043 1.00-18.82 C ATOM 248 1HB SER A 20 45.652 5.177 -23.542 1.00-18.82 H ATOM 249 2HB SER A 20 46.147 3.472 -23.471 1.00-18.82 H ATOM 250 OG SER A 20 46.001 4.425 -21.658 1.00-18.82 O ATOM 251 HG SER A 20 46.612 3.820 -21.222 1.00-18.82 H ATOM 252 N CYS A 21 47.739 7.316 -23.222 1.00-12.04 N ATOM 253 H CYS A 21 47.208 7.282 -24.078 1.00-12.04 H ATOM 254 CA CYS A 21 48.184 8.613 -22.726 1.00-12.04 C ATOM 255 HA CYS A 21 49.073 8.467 -22.114 1.00-12.04 H ATOM 256 C CYS A 21 47.147 9.347 -21.875 1.00-12.04 C ATOM 257 O CYS A 21 46.171 9.875 -22.403 1.00-12.04 O ATOM 258 CB CYS A 21 48.582 9.483 -23.921 1.00-12.04 C ATOM 259 1HB CYS A 21 49.289 8.931 -24.539 1.00-12.04 H ATOM 260 2HB CYS A 21 47.692 9.693 -24.518 1.00-12.04 H ATOM 261 SG CYS A 21 49.345 11.064 -23.449 1.00-12.04 S ATOM 262 N SER A 22 47.392 9.442 -20.576 1.00 19.46 N ATOM 263 H SER A 22 48.191 8.969 -20.166 1.00 19.46 H ATOM 264 CA SER A 22 46.637 10.344 -19.706 1.00 19.46 C ATOM 265 HA SER A 22 45.638 10.516 -20.105 1.00 19.46 H ATOM 266 C SER A 22 47.435 11.640 -19.730 1.00 19.46 C ATOM 267 O SER A 22 48.331 11.845 -18.914 1.00 19.46 O ATOM 268 CB SER A 22 46.534 9.806 -18.280 1.00 19.46 C ATOM 269 1HB SER A 22 47.531 9.598 -17.892 1.00 19.46 H ATOM 270 2HB SER A 22 46.057 10.558 -17.651 1.00 19.46 H ATOM 271 OG SER A 22 45.757 8.619 -18.256 1.00 19.46 O ATOM 272 HG SER A 22 46.336 7.862 -18.437 1.00 19.46 H ATOM 273 N TRP A 23 47.209 12.435 -20.764 1.00-13.57 N ATOM 274 H TRP A 23 46.401 12.267 -21.345 1.00-13.57 H ATOM 275 CA TRP A 23 48.145 13.490 -21.152 1.00-13.57 C ATOM 276 HA TRP A 23 49.045 13.001 -21.509 1.00-13.57 H ATOM 277 C TRP A 23 48.523 14.419 -19.995 1.00-13.57 C ATOM 278 O TRP A 23 47.645 14.912 -19.286 1.00-13.57 O ATOM 279 CB TRP A 23 47.544 14.300 -22.306 1.00-13.57 C ATOM 280 1HB TRP A 23 47.123 13.608 -23.034 1.00-13.57 H ATOM 281 2HB TRP A 23 46.739 14.925 -21.919 1.00-13.57 H ATOM 282 CG TRP A 23 48.546 15.170 -23.014 1.00-13.57 C ATOM 283 CD1 TRP A 23 49.224 14.870 -24.153 1.00-13.57 C ATOM 284 HD1 TRP A 23 49.106 13.944 -24.700 1.00-13.57 H ATOM 285 CD2 TRP A 23 49.005 16.482 -22.634 1.00-13.57 C ATOM 286 NE1 TRP A 23 50.076 15.876 -24.511 1.00-13.57 N ATOM 287 HE1 TRP A 23 50.672 15.868 -25.338 1.00-13.57 H ATOM 288 CE2 TRP A 23 50.008 16.863 -23.571 1.00-13.57 C ATOM 289 CE3 TRP A 23 48.704 17.360 -21.572 1.00-13.57 C ATOM 290 HE3 TRP A 23 47.936 17.107 -20.854 1.00-13.57 H ATOM 291 CZ2 TRP A 23 50.737 18.063 -23.453 1.00-13.57 C ATOM 292 HZ2 TRP A 23 51.492 18.324 -24.180 1.00-13.57 H ATOM 293 CZ3 TRP A 23 49.435 18.570 -21.447 1.00-13.57 C ATOM 294 HZ3 TRP A 23 49.218 19.246 -20.632 1.00-13.57 H ATOM 295 CH2 TRP A 23 50.450 18.903 -22.392 1.00-13.57 C ATOM 296 HH2 TRP A 23 50.996 19.829 -22.282 1.00-13.57 H ATOM 297 N PRO A 24 49.828 14.697 -19.799 1.00 7.82 N ATOM 298 CA PRO A 24 51.065 14.299 -20.487 1.00 7.82 C ATOM 299 HA PRO A 24 50.890 14.252 -21.562 1.00 7.82 H ATOM 300 C PRO A 24 51.776 13.004 -20.051 1.00 7.82 C ATOM 301 O PRO A 24 52.943 12.849 -20.390 1.00 7.82 O ATOM 302 CB PRO A 24 51.963 15.506 -20.202 1.00 7.82 C ATOM 303 1HB PRO A 24 53.021 15.272 -20.298 1.00 7.82 H ATOM 304 2HB PRO A 24 51.699 16.330 -20.864 1.00 7.82 H ATOM 305 CG PRO A 24 51.625 15.843 -18.806 1.00 7.82 C ATOM 306 1HG PRO A 24 52.139 15.164 -18.127 1.00 7.82 H ATOM 307 2HG PRO A 24 51.893 16.875 -18.582 1.00 7.82 H ATOM 308 CD PRO A 24 50.129 15.645 -18.708 1.00 7.82 C ATOM 309 1HD PRO A 24 49.859 15.224 -17.738 1.00 7.82 H ATOM 310 2HD PRO A 24 49.612 16.590 -18.878 1.00 7.82 H ATOM 311 N VAL A 25 51.162 12.093 -19.299 1.00 -7.24 N ATOM 312 H VAL A 25 50.177 12.202 -19.047 1.00 -7.24 H ATOM 313 CA VAL A 25 51.866 10.899 -18.789 1.00 -7.24 C ATOM 314 HA VAL A 25 52.862 10.871 -19.223 1.00 -7.24 H ATOM 315 C VAL A 25 51.169 9.580 -19.157 1.00 -7.24 C ATOM 316 O VAL A 25 49.959 9.427 -19.042 1.00 -7.24 O ATOM 317 CB VAL A 25 52.046 10.977 -17.239 1.00 -7.24 C ATOM 318 HB VAL A 25 51.066 10.916 -16.767 1.00 -7.24 H ATOM 319 CG1 VAL A 25 52.927 9.826 -16.712 1.00 -7.24 C ATOM 320 1HG1 VAL A 25 53.084 9.943 -15.640 1.00 -7.24 H ATOM 321 2HG1 VAL A 25 53.896 9.829 -17.220 1.00 -7.24 H ATOM 322 3HG1 VAL A 25 52.430 8.872 -16.883 1.00 -7.24 H ATOM 323 CG2 VAL A 25 52.695 12.312 -16.828 1.00 -7.24 C ATOM 324 1HG2 VAL A 25 52.911 12.308 -15.760 1.00 -7.24 H ATOM 325 2HG2 VAL A 25 52.007 13.131 -17.029 1.00 -7.24 H ATOM 326 3HG2 VAL A 25 53.622 12.468 -17.383 1.00 -7.24 H ATOM 327 N CYS A 26 51.933 8.606 -19.620 1.00-16.55 N ATOM 328 H CYS A 26 52.939 8.753 -19.721 1.00-16.55 H ATOM 329 CA CYS A 26 51.380 7.308 -19.980 1.00-16.55 C ATOM 330 HA CYS A 26 50.526 7.471 -20.630 1.00-16.55 H ATOM 331 C CYS A 26 50.922 6.493 -18.773 1.00-16.55 C ATOM 332 O CYS A 26 51.582 6.458 -17.733 1.00-16.55 O ATOM 333 CB CYS A 26 52.432 6.517 -20.744 1.00-16.55 C ATOM 334 1HB CYS A 26 53.322 6.425 -20.123 1.00-16.55 H ATOM 335 2HB CYS A 26 52.049 5.526 -20.966 1.00-16.55 H ATOM 336 SG CYS A 26 52.877 7.335 -22.298 1.00-16.55 S ATOM 337 N THR A 27 49.797 5.817 -18.935 1.00 -7.86 N ATOM 338 H THR A 27 49.298 5.898 -19.824 1.00 -7.86 H ATOM 339 CA THR A 27 49.161 4.990 -17.911 1.00 -7.86 C ATOM 340 HA THR A 27 49.850 4.740 -17.107 1.00 -7.86 H ATOM 341 C THR A 27 48.664 3.713 -18.578 1.00 -7.86 C ATOM 342 O THR A 27 48.443 3.713 -19.788 1.00 -7.86 O ATOM 343 CB THR A 27 47.932 5.732 -17.355 1.00 -7.86 C ATOM 344 HB THR A 27 47.323 5.049 -16.765 1.00 -7.86 H ATOM 345 OG1 THR A 27 47.171 6.252 -18.452 1.00 -7.86 O ATOM 346 HG1 THR A 27 46.835 5.513 -18.973 1.00 -7.86 H ATOM 347 CG2 THR A 27 48.333 6.918 -16.494 1.00 -7.86 C ATOM 348 1HG2 THR A 27 47.434 7.380 -16.085 1.00 -7.86 H ATOM 349 2HG2 THR A 27 48.869 7.657 -17.091 1.00 -7.86 H ATOM 350 3HG2 THR A 27 48.965 6.585 -15.673 1.00 -7.86 H ATOM 351 N ARG A 28 48.463 2.636 -17.835 1.00 12.93 N ATOM 352 H ARG A 28 48.667 2.650 -16.832 1.00 12.93 H ATOM 353 CA ARG A 28 47.966 1.377 -18.393 1.00 12.93 C ATOM 354 HA ARG A 28 47.398 1.554 -19.306 1.00 12.93 H ATOM 355 C ARG A 28 47.056 0.752 -17.348 1.00 12.93 C ATOM 356 O ARG A 28 47.328 0.933 -16.178 1.00 12.93 O ATOM 357 CB ARG A 28 49.175 0.475 -18.682 1.00 12.93 C ATOM 358 1HB ARG A 28 49.816 0.989 -19.392 1.00 12.93 H ATOM 359 2HB ARG A 28 49.736 0.343 -17.755 1.00 12.93 H ATOM 360 CG ARG A 28 48.851 -0.902 -19.235 1.00 12.93 C ATOM 361 1HG ARG A 28 48.358 -1.478 -18.456 1.00 12.93 H ATOM 362 2HG ARG A 28 48.173 -0.805 -20.081 1.00 12.93 H ATOM 363 CD ARG A 28 50.090 -1.660 -19.675 1.00 12.93 C ATOM 364 1HD ARG A 28 50.523 -1.175 -20.551 1.00 12.93 H ATOM 365 2HD ARG A 28 50.819 -1.656 -18.863 1.00 12.93 H ATOM 366 NE ARG A 28 49.718 -3.048 -19.981 1.00 12.93 N ATOM 367 HE ARG A 28 48.761 -3.299 -19.785 1.00 12.93 H ATOM 368 CZ ARG A 28 50.515 -4.003 -20.438 1.00 12.93 C ATOM 369 NH1 ARG A 28 50.070 -5.229 -20.437 1.00 12.93 N ATOM 370 1HH1 ARG A 28 49.158 -5.433 -20.058 1.00 12.93 H ATOM 371 2HH1 ARG A 28 50.639 -5.975 -20.801 1.00 12.93 H ATOM 372 NH2 ARG A 28 51.718 -3.795 -20.903 1.00 12.93 N ATOM 373 1HH2 ARG A 28 52.052 -2.844 -21.045 1.00 12.93 H ATOM 374 2HH2 ARG A 28 52.311 -4.565 -21.156 1.00 12.93 H ATOM 375 N ASN A 29 46.064 -0.014 -17.788 1.00 -1.64 N ATOM 376 H ASN A 29 45.864 -0.008 -18.772 1.00 -1.64 H ATOM 377 CA ASN A 29 45.213 -0.867 -16.940 1.00 -1.64 C ATOM 378 HA ASN A 29 44.492 -1.346 -17.599 1.00 -1.64 H ATOM 379 C ASN A 29 44.395 -0.095 -15.900 1.00 -1.64 C ATOM 380 O ASN A 29 44.046 -0.659 -14.832 1.00 -1.64 O ATOM 381 OXT ASN A 29 44.050 1.053 -16.208 1.00 -1.64 O ATOM 382 CB ASN A 29 46.060 -1.981 -16.293 1.00 -1.64 C ATOM 383 1HB ASN A 29 46.977 -2.104 -16.858 1.00 -1.64 H ATOM 384 2HB ASN A 29 46.322 -1.693 -15.275 1.00 -1.64 H ATOM 385 CG ASN A 29 45.363 -3.316 -16.278 1.00 -1.64 C ATOM 386 OD1 ASN A 29 45.888 -4.297 -16.781 1.00 -1.64 O ATOM 387 ND2 ASN A 29 44.177 -3.364 -15.747 1.00 -1.64 N ATOM 388 1HD2 ASN A 29 43.681 -4.237 -15.746 1.00 -1.64 H ATOM 389 2HD2 ASN A 29 43.786 -2.504 -15.375 1.00 -1.64 H TER 390 ASN A 29 CONECT 68 65 240 CONECT 114 111 261 CONECT 178 175 336 CONECT 240 68 237 CONECT 261 114 258 CONECT 336 178 333 END
SEQUENCE	GVPICGETCTLGTCYTAGCSCSWPVCTRN
HELICITY	0.00	INSTAB. INDEX	52.46	FLEXIBILITY	16.08
a HYD. MOM.	21.70	b HYD. MOM.	7.38	c HYD. MOM	2.34
a MEAN HYD. MOM.	0.75	b MEAN HYD. MOM.	0.25	c MEAN HYD. MOM.	0.08
CHARGE pH5	0.15	CHARGE pH7	-0.27	CHARGE pH9	-5.20
Δ CHARGE pH5-pH9	5.35	ISOELECTRIC POINT	5.96	BOMAN INDEX	0.51
ΔG	8	CPP	0,21	MLP	-1,52
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 arvensis
DATE	2002
TITLE PAPER	Cyclotides: a novel type of cytotoxic agents.