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%40039.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40039.pdb;h=6cd0945738c448153f5b0edb83ebd946ace2437d;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@039.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@039.pdb new file mode 100644 index 0000000..6cd0945 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@039.pdb @@ -0,0 +1,61 @@ +REMARK GM 39 e 8978923 m 29574 ENERGY -9.23025E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.441 0.152 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.631 -5.640 -0.401 0.000 +ATOM 5 CA TYR 3 6.063 -3.754 -3.227 0.000 +ATOM 6 CB TYR 3 5.904 -1.303 -3.602 0.000 +ATOM 7 CA ILE 4 9.302 -3.213 -1.315 0.000 +ATOM 8 CB ILE 4 10.004 -1.617 -0.977 0.000 +ATOM 9 CA GLN 5 8.310 -5.877 1.207 0.000 +ATOM 10 CB GLN 5 7.178 -4.403 2.459 0.000 +ATOM 11 CA TRP 6 7.147 -8.134 -1.619 0.000 +ATOM 12 CB TRP 6 5.713 -10.172 -2.378 0.000 +ATOM 13 CA LEU 7 10.221 -7.235 -3.664 0.000 +ATOM 14 CB LEU 7 9.008 -6.656 -5.061 0.000 +ATOM 15 CA LYS 8 12.462 -7.940 -0.677 0.000 +ATOM 16 CB LYS 8 12.896 -5.586 0.177 0.000 +ATOM 17 CA ASP 9 10.721 -11.246 0.016 0.000 +ATOM 18 CB ASP 9 9.261 -10.595 0.619 0.000 +ATOM 19 CA GLY 10 12.581 -12.837 -2.890 0.000 +ATOM 20 CA GLY 11 11.168 -10.924 -5.854 0.000 +ATOM 21 CA PRO 12 7.592 -12.187 -5.614 0.000 +ATOM 22 CB PRO 12 7.040 -11.094 -6.169 0.000 +ATOM 23 CA SER 13 8.685 -15.601 -4.351 0.000 +ATOM 24 CB SER 13 9.813 -15.704 -4.150 0.000 +ATOM 25 CA SER 14 7.635 -14.917 -0.763 0.000 +ATOM 26 CB SER 14 7.279 -13.838 -0.589 0.000 +ATOM 27 CA GLY 15 4.470 -16.480 0.645 0.000 +ATOM 28 CA ARG 16 2.290 -13.446 -0.050 0.000 +ATOM 29 CB ARG 16 3.966 -11.104 0.859 0.000 +ATOM 30 CA PRO 17 0.565 -12.230 -3.210 0.000 +ATOM 31 CB PRO 17 0.567 -11.056 -2.554 0.000 +ATOM 32 CA PRO 18 2.859 -10.888 -5.927 0.000 +ATOM 33 CB PRO 18 2.222 -11.824 -6.654 0.000 +ATOM 34 CA PRO 19 2.725 -7.151 -6.603 0.000 +ATOM 35 CB PRO 19 3.628 -7.054 -5.611 0.000 +ATOM 36 CA SER 20 4.476 -7.430 -9.965 0.000 +ATOM 37 CB SER 20 5.594 -7.674 -9.859 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