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%40003.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40003.pdb;h=78519c31499fe4e2874c047a3c82b40d94ece75a;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@003.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@003.pdb new file mode 100644 index 0000000..78519c3 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@003.pdb @@ -0,0 +1,61 @@ +REMARK GM 3 e 4496 m 11 ENERGY -7.11986E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.370 0.201 1.572 0.000 +ATOM 3 CA LEU 2 5.695 -3.294 0.000 0.000 +ATOM 4 CB LEU 2 5.763 -4.106 -1.759 0.000 +ATOM 5 CA TYR 3 7.271 -2.513 3.369 0.000 +ATOM 6 CB TYR 3 8.067 -0.945 5.122 0.000 +ATOM 7 CA ILE 4 3.909 -2.936 5.088 0.000 +ATOM 8 CB ILE 4 2.719 -3.271 3.813 0.000 +ATOM 9 CA GLN 5 5.469 -5.447 7.476 0.000 +ATOM 10 CB GLN 5 5.772 -6.903 5.801 0.000 +ATOM 11 CA TRP 6 7.731 -2.683 8.774 0.000 +ATOM 12 CB TRP 6 8.360 -0.631 10.250 0.000 +ATOM 13 CA LEU 7 4.749 -0.330 8.868 0.000 +ATOM 14 CB LEU 7 4.839 1.225 7.714 0.000 +ATOM 15 CA LYS 8 3.090 -2.554 11.465 0.000 +ATOM 16 CB LYS 8 1.219 -3.223 9.882 0.000 +ATOM 17 CA ASP 9 6.432 -3.455 13.035 0.000 +ATOM 18 CB ASP 9 7.153 -4.567 11.955 0.000 +ATOM 19 CA GLY 10 6.879 0.035 14.471 0.000 +ATOM 20 CA GLY 11 6.022 3.097 12.392 0.000 +ATOM 21 CA PRO 12 8.168 3.759 9.327 0.000 +ATOM 22 CB PRO 12 8.277 5.023 9.772 0.000 +ATOM 23 CA SER 13 11.382 1.825 9.940 0.000 +ATOM 24 CB SER 13 12.335 2.440 9.751 0.000 +ATOM 25 CA SER 14 11.386 2.312 13.708 0.000 +ATOM 26 CB SER 14 12.131 2.352 14.584 0.000 +ATOM 27 CA GLY 15 10.422 5.983 13.516 0.000 +ATOM 28 CA ARG 16 8.001 8.754 12.566 0.000 +ATOM 29 CB ARG 16 8.023 11.763 12.820 0.000 +ATOM 30 CA PRO 17 5.641 8.749 9.588 0.000 +ATOM 31 CB PRO 17 5.200 9.883 10.161 0.000 +ATOM 32 CA PRO 18 7.103 8.924 6.084 0.000 +ATOM 33 CB PRO 18 6.853 7.605 6.162 0.000 +ATOM 34 CA PRO 19 6.459 12.085 4.076 0.000 +ATOM 35 CB PRO 19 7.762 12.410 4.004 0.000 +ATOM 36 CA SER 20 5.926 10.184 0.829 0.000 +ATOM 37 CB SER 20 6.354 9.120 0.913 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