X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40020.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40020.pdb;h=b9ce34ebee2497afa5cad5ad383eedf0e84a4036;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@020.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@020.pdb new file mode 100644 index 0000000..b9ce34e --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@020.pdb @@ -0,0 +1,61 @@ +REMARK GM 20 e 594644 m 1753 ENERGY -8.61988E+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 4.363 0.476 1.514 0.000 +ATOM 3 CA LEU 2 5.512 -3.392 0.000 0.000 +ATOM 4 CB LEU 2 6.548 -4.935 -0.554 0.000 +ATOM 5 CA TYR 3 8.944 -1.766 0.142 0.000 +ATOM 6 CB TYR 3 8.101 0.554 -0.136 0.000 +ATOM 7 CA ILE 4 8.748 -1.477 3.926 0.000 +ATOM 8 CB ILE 4 8.350 0.019 4.796 0.000 +ATOM 9 CA GLN 5 7.345 -5.001 4.162 0.000 +ATOM 10 CB GLN 5 5.232 -4.298 3.919 0.000 +ATOM 11 CA TRP 6 9.984 -6.227 1.718 0.000 +ATOM 12 CB TRP 6 11.819 -7.680 0.575 0.000 +ATOM 13 CA LEU 7 12.688 -4.178 3.431 0.000 +ATOM 14 CB LEU 7 12.741 -2.916 1.960 0.000 +ATOM 15 CA LYS 8 11.721 -5.613 6.814 0.000 +ATOM 16 CB LYS 8 10.719 -3.465 7.731 0.000 +ATOM 17 CA ASP 9 10.937 -9.024 5.334 0.000 +ATOM 18 CB ASP 9 9.375 -8.491 4.889 0.000 +ATOM 19 CA GLY 10 14.550 -9.575 4.296 0.000 +ATOM 20 CA GLY 11 16.200 -7.386 1.663 0.000 +ATOM 21 CA PRO 12 15.965 -6.826 -2.088 0.000 +ATOM 22 CB PRO 12 17.244 -7.119 -2.383 0.000 +ATOM 23 CA SER 13 15.126 -10.179 -3.666 0.000 +ATOM 24 CB SER 13 15.790 -10.504 -4.547 0.000 +ATOM 25 CA SER 14 17.016 -12.034 -0.941 0.000 +ATOM 26 CB SER 14 17.460 -11.269 -0.206 0.000 +ATOM 27 CA GLY 15 13.861 -12.578 1.108 0.000 +ATOM 28 CA ARG 16 10.380 -11.747 -0.168 0.000 +ATOM 29 CB ARG 16 8.400 -9.787 0.999 0.000 +ATOM 30 CA PRO 17 9.682 -9.810 -3.361 0.000 +ATOM 31 CB PRO 17 8.401 -10.126 -3.100 0.000 +ATOM 32 CA PRO 18 10.479 -6.100 -3.571 0.000 +ATOM 33 CB PRO 18 11.708 -6.608 -3.775 0.000 +ATOM 34 CA PRO 19 8.478 -3.818 -5.857 0.000 +ATOM 35 CB PRO 19 8.297 -3.146 -4.706 0.000 +ATOM 36 CA SER 20 10.163 -2.452 -8.978 0.000 +ATOM 37 CB SER 20 9.547 -2.669 -9.924 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