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%40029.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40029.pdb;h=f503ca3bc46f032a489c46451548932aa274b08a;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@029.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@029.pdb new file mode 100644 index 0000000..f503ca3 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@029.pdb @@ -0,0 +1,61 @@ +REMARK GM 29 e 2705963 m 8476 ENERGY -9.07467E+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 5.452 0.320 0.060 0.000 +ATOM 3 CA LEU 2 4.063 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.755 -5.652 -0.450 0.000 +ATOM 5 CA TYR 3 6.277 -3.723 -3.088 0.000 +ATOM 6 CB TYR 3 6.177 -5.869 -4.336 0.000 +ATOM 7 CA ILE 4 9.403 -3.277 -0.975 0.000 +ATOM 8 CB ILE 4 10.220 -1.736 -0.640 0.000 +ATOM 9 CA GLN 5 8.165 -5.896 1.485 0.000 +ATOM 10 CB GLN 5 7.139 -4.213 2.550 0.000 +ATOM 11 CA TRP 6 7.178 -8.173 -1.392 0.000 +ATOM 12 CB TRP 6 6.728 -10.373 -2.713 0.000 +ATOM 13 CA LEU 7 10.481 -7.551 -3.165 0.000 +ATOM 14 CB LEU 7 10.546 -6.050 -4.390 0.000 +ATOM 15 CA LYS 8 12.411 -8.295 0.022 0.000 +ATOM 16 CB LYS 8 13.131 -5.896 0.445 0.000 +ATOM 17 CA ASP 9 10.037 -11.090 1.017 0.000 +ATOM 18 CB ASP 9 9.082 -10.107 2.037 0.000 +ATOM 19 CA GLY 10 10.723 -13.078 -2.149 0.000 +ATOM 20 CA GLY 11 9.557 -12.278 -5.675 0.000 +ATOM 21 CA PRO 12 6.253 -12.147 -7.548 0.000 +ATOM 22 CB PRO 12 6.487 -13.128 -8.437 0.000 +ATOM 23 CA SER 13 3.954 -14.755 -6.012 0.000 +ATOM 24 CB SER 13 3.428 -15.469 -6.743 0.000 +ATOM 25 CA SER 14 6.909 -17.017 -5.244 0.000 +ATOM 26 CB SER 14 7.848 -16.449 -5.588 0.000 +ATOM 27 CA GLY 15 7.187 -15.741 -1.675 0.000 +ATOM 28 CA ARG 16 4.651 -13.433 -0.039 0.000 +ATOM 29 CB ARG 16 5.157 -10.655 1.032 0.000 +ATOM 30 CA PRO 17 1.876 -11.673 -1.947 0.000 +ATOM 31 CB PRO 17 1.507 -11.260 -0.721 0.000 +ATOM 32 CA PRO 18 2.806 -9.004 -4.487 0.000 +ATOM 33 CB PRO 18 2.976 -10.098 -5.252 0.000 +ATOM 34 CA PRO 19 0.856 -5.932 -5.581 0.000 +ATOM 35 CB PRO 19 1.626 -5.106 -4.849 0.000 +ATOM 36 CA SER 20 3.102 -5.300 -8.580 0.000 +ATOM 37 CB SER 20 4.205 -5.525 -8.349 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