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%40024.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40024.pdb;h=be798908e4551eab29efa64ca9e5c9cd5bfd6173;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@024.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@024.pdb new file mode 100644 index 0000000..be79890 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@024.pdb @@ -0,0 +1,61 @@ +REMARK GM 24 e 1035770 m 3218 ENERGY -8.75655E+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 5.241 0.835 0.247 0.000 +ATOM 3 CA LEU 2 5.632 -3.329 0.000 0.000 +ATOM 4 CB LEU 2 6.173 -4.807 -1.132 0.000 +ATOM 5 CA TYR 3 8.223 -4.134 2.660 0.000 +ATOM 6 CB TYR 3 7.521 -4.703 4.974 0.000 +ATOM 7 CA ILE 4 9.784 -7.598 2.564 0.000 +ATOM 8 CB ILE 4 9.942 -7.909 0.823 0.000 +ATOM 9 CA GLN 5 12.435 -6.495 5.054 0.000 +ATOM 10 CB GLN 5 12.434 -4.486 4.061 0.000 +ATOM 11 CA TRP 6 9.833 -6.579 7.822 0.000 +ATOM 12 CB TRP 6 9.191 -7.196 10.270 0.000 +ATOM 13 CA LEU 7 8.852 -10.101 6.787 0.000 +ATOM 14 CB LEU 7 7.043 -9.538 6.377 0.000 +ATOM 15 CA LYS 8 12.455 -11.244 7.180 0.000 +ATOM 16 CB LYS 8 12.825 -11.386 4.670 0.000 +ATOM 17 CA ASP 9 12.969 -9.064 10.250 0.000 +ATOM 18 CB ASP 9 13.273 -7.533 9.553 0.000 +ATOM 19 CA GLY 10 10.399 -11.021 12.251 0.000 +ATOM 20 CA GLY 11 6.739 -10.797 11.255 0.000 +ATOM 21 CA PRO 12 5.087 -7.386 10.982 0.000 +ATOM 22 CB PRO 12 4.272 -8.028 10.127 0.000 +ATOM 23 CA SER 13 5.754 -5.143 13.976 0.000 +ATOM 24 CB SER 13 6.487 -5.532 14.772 0.000 +ATOM 25 CA SER 14 8.155 -2.931 12.032 0.000 +ATOM 26 CB SER 14 8.195 -3.373 10.971 0.000 +ATOM 27 CA GLY 15 7.740 0.638 10.794 0.000 +ATOM 28 CA ARG 16 7.005 -0.335 7.195 0.000 +ATOM 29 CB ARG 16 9.339 -2.249 7.272 0.000 +ATOM 30 CA PRO 17 3.859 -1.985 5.844 0.000 +ATOM 31 CB PRO 17 4.365 -1.786 4.613 0.000 +ATOM 32 CA PRO 18 3.449 -5.759 6.018 0.000 +ATOM 33 CB PRO 18 2.494 -5.419 6.902 0.000 +ATOM 34 CA PRO 19 3.020 -7.659 2.755 0.000 +ATOM 35 CB PRO 19 4.324 -7.409 2.542 0.000 +ATOM 36 CA SER 20 1.582 -10.715 4.497 0.000 +ATOM 37 CB SER 20 1.839 -10.752 5.617 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