X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40014.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40014.pdb;h=e76547f1ff4fa9daace4d7f7911c2fee8df87e17;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@014.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@014.pdb new file mode 100644 index 0000000..e76547f --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@014.pdb @@ -0,0 +1,62 @@ +REMARK GM 14 e 295608 m 767 ENERGY -7.86744E+01 +SHEET 1 B1 2 GLN 5 LEU 7 0 +SHEET 2 B1 2 GLY 10 PRO 12 -1 N PRO 12 O GLN 5 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.362 0.348 1.549 0.000 +ATOM 3 CA LEU 2 5.650 -3.319 0.000 0.000 +ATOM 4 CB LEU 2 6.835 -4.600 -0.846 0.000 +ATOM 5 CA TYR 3 6.709 -4.424 3.478 0.000 +ATOM 6 CB TYR 3 4.462 -5.404 3.877 0.000 +ATOM 7 CA ILE 4 8.041 -7.733 2.169 0.000 +ATOM 8 CB ILE 4 6.990 -9.123 1.826 0.000 +ATOM 9 CA GLN 5 10.723 -5.946 0.156 0.000 +ATOM 10 CB GLN 5 11.852 -4.352 -0.941 0.000 +ATOM 11 CA TRP 6 11.020 -3.313 2.879 0.000 +ATOM 12 CB TRP 6 12.432 -1.728 4.390 0.000 +ATOM 13 CA LEU 7 11.751 -5.959 5.507 0.000 +ATOM 14 CB LEU 7 9.919 -5.777 6.116 0.000 +ATOM 15 CA LYS 8 13.869 -8.037 3.133 0.000 +ATOM 16 CB LYS 8 12.640 -8.458 0.949 0.000 +ATOM 17 CA ASP 9 16.983 -7.265 5.170 0.000 +ATOM 18 CB ASP 9 18.332 -8.049 4.475 0.000 +ATOM 19 CA GLY 10 15.689 -3.761 5.868 0.000 +ATOM 20 CA GLY 11 15.309 -2.823 2.205 0.000 +ATOM 21 CA PRO 12 15.995 -5.717 -0.160 0.000 +ATOM 22 CB PRO 12 16.319 -4.819 -1.107 0.000 +ATOM 23 CA SER 13 19.294 -6.254 1.648 0.000 +ATOM 24 CB SER 13 20.212 -6.418 0.975 0.000 +ATOM 25 CA SER 14 19.827 -2.547 2.289 0.000 +ATOM 26 CB SER 14 19.130 -1.976 1.575 0.000 +ATOM 27 CA GLY 15 19.173 -0.435 5.380 0.000 +ATOM 28 CA ARG 16 16.326 1.589 3.884 0.000 +ATOM 29 CB ARG 16 14.279 0.631 1.881 0.000 +ATOM 30 CA PRO 17 13.546 3.336 5.798 0.000 +ATOM 31 CB PRO 17 13.491 3.993 4.625 0.000 +ATOM 32 CA PRO 18 10.973 1.119 7.502 0.000 +ATOM 33 CB PRO 18 11.206 1.926 8.552 0.000 +ATOM 34 CA PRO 19 7.462 0.841 6.074 0.000 +ATOM 35 CB PRO 19 7.927 -0.334 5.613 0.000 +ATOM 36 CA SER 20 4.487 1.122 8.421 0.000 +ATOM 37 CB SER 20 4.324 2.257 8.339 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL