X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Funrestrained%2Foutput%2F1l2y_csa%40010.pdb;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Funrestrained%2Foutput%2F1l2y_csa%40010.pdb;h=e3a06969856ebac8edb78c1bb938715ca27098d3;hb=6c23f8d4f1fe8f0479fb8c6b16ff17e6c59c03d2;hp=0000000000000000000000000000000000000000;hpb=c6cc12f77df252d56c9480ce4822c58fc8981c32;p=unres.git diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/output/1l2y_csa@010.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/output/1l2y_csa@010.pdb new file mode 100644 index 0000000..e3a0696 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/output/1l2y_csa@010.pdb @@ -0,0 +1,60 @@ +REMARK GM 10 e 106653 m 220 ENERGY -6.94120E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.306 0.717 0.235 0.000 +ATOM 3 CA LEU 2 5.613 -3.340 0.000 0.000 +ATOM 4 CB LEU 2 5.824 -5.074 -0.841 0.000 +ATOM 5 CA TYR 3 9.259 -3.128 1.048 0.000 +ATOM 6 CB TYR 3 10.241 -2.969 3.325 0.000 +ATOM 7 CA ILE 4 10.431 -3.331 -2.561 0.000 +ATOM 8 CB ILE 4 10.235 -4.912 -3.346 0.000 +ATOM 9 CA GLN 5 9.189 0.208 -3.172 0.000 +ATOM 10 CB GLN 5 7.078 -0.528 -3.030 0.000 +ATOM 11 CA TRP 6 10.302 1.252 0.308 0.000 +ATOM 12 CB TRP 6 10.765 3.211 1.961 0.000 +ATOM 13 CA LEU 7 13.849 0.032 -0.299 0.000 +ATOM 14 CB LEU 7 13.705 -1.864 0.080 0.000 +ATOM 15 CA LYS 8 14.511 2.922 -2.676 0.000 +ATOM 16 CB LYS 8 11.973 2.915 -2.814 0.000 +ATOM 17 CA ASP 9 16.497 4.873 -0.090 0.000 +ATOM 18 CB ASP 9 17.918 5.739 0.300 0.000 +ATOM 19 CA GLY 10 14.589 6.215 2.910 0.000 +ATOM 20 CA GLY 11 11.894 8.894 2.973 0.000 +ATOM 21 CA PRO 12 10.544 10.582 6.098 0.000 +ATOM 22 CB PRO 12 10.242 11.647 5.335 0.000 +ATOM 23 CA SER 13 10.245 7.313 8.012 0.000 +ATOM 24 CB SER 13 9.998 6.443 7.301 0.000 +ATOM 25 CA SER 14 13.000 5.437 9.837 0.000 +ATOM 26 CB SER 14 12.617 4.895 10.776 0.000 +ATOM 27 CA GLY 15 14.751 2.420 8.330 0.000 +ATOM 28 CA ARG 16 13.045 -0.973 8.466 0.000 +ATOM 29 CB ARG 16 11.342 1.017 6.963 0.000 +ATOM 30 CA PRO 17 14.380 -4.361 7.381 0.000 +ATOM 31 CB PRO 17 13.807 -4.672 8.557 0.000 +ATOM 32 CA PRO 18 14.133 -5.227 3.689 0.000 +ATOM 33 CB PRO 18 15.415 -5.615 3.811 0.000 +ATOM 34 CA PRO 19 11.855 -7.894 2.227 0.000 +ATOM 35 CB PRO 19 11.025 -7.165 1.460 0.000 +ATOM 36 CA SER 20 13.919 -8.270 -0.941 0.000 +ATOM 37 CB SER 20 13.803 -7.324 -1.585 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