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%40019.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40019.pdb;h=e0c8918df95c2573950efec08f599191ce7e7bf5;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@019.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@019.pdb new file mode 100644 index 0000000..e0c8918 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@019.pdb @@ -0,0 +1,60 @@ +REMARK GM 19 e 965794 m 2838 ENERGY -8.41936E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.321 0.337 1.565 0.000 +ATOM 3 CA LEU 2 5.616 -3.338 0.000 0.000 +ATOM 4 CB LEU 2 5.936 -5.130 -0.669 0.000 +ATOM 5 CA TYR 3 8.977 -3.276 1.773 0.000 +ATOM 6 CB TYR 3 8.539 -1.091 2.871 0.000 +ATOM 7 CA ILE 4 11.209 -6.254 2.539 0.000 +ATOM 8 CB ILE 4 12.745 -6.598 1.716 0.000 +ATOM 9 CA GLN 5 9.070 -7.243 5.520 0.000 +ATOM 10 CB GLN 5 8.454 -5.629 6.945 0.000 +ATOM 11 CA TRP 6 6.119 -7.872 3.210 0.000 +ATOM 12 CB TRP 6 5.964 -5.338 3.795 0.000 +ATOM 13 CA LEU 7 8.432 -9.493 0.668 0.000 +ATOM 14 CB LEU 7 9.921 -9.504 -0.574 0.000 +ATOM 15 CA LYS 8 9.587 -12.001 3.279 0.000 +ATOM 16 CB LYS 8 11.643 -10.733 4.068 0.000 +ATOM 17 CA ASP 9 6.024 -13.172 3.888 0.000 +ATOM 18 CB ASP 9 4.929 -11.886 4.149 0.000 +ATOM 19 CA GLY 10 6.582 -16.245 1.723 0.000 +ATOM 20 CA GLY 11 9.659 -15.089 -0.184 0.000 +ATOM 21 CA PRO 12 7.786 -12.623 -2.386 0.000 +ATOM 22 CB PRO 12 8.345 -13.128 -3.500 0.000 +ATOM 23 CA SER 13 4.441 -14.300 -1.723 0.000 +ATOM 24 CB SER 13 4.912 -15.348 -1.759 0.000 +ATOM 25 CA SER 14 3.189 -11.537 0.565 0.000 +ATOM 26 CB SER 14 3.942 -10.672 0.648 0.000 +ATOM 27 CA GLY 15 0.179 -9.799 -0.971 0.000 +ATOM 28 CA ARG 16 2.166 -6.960 -2.531 0.000 +ATOM 29 CB ARG 16 2.012 -3.969 -2.142 0.000 +ATOM 30 CA PRO 17 4.870 -6.952 -5.201 0.000 +ATOM 31 CB PRO 17 4.499 -5.660 -5.258 0.000 +ATOM 32 CA PRO 18 8.344 -8.157 -4.242 0.000 +ATOM 33 CB PRO 18 8.172 -8.984 -5.289 0.000 +ATOM 34 CA PRO 19 11.261 -5.736 -3.979 0.000 +ATOM 35 CB PRO 19 10.680 -5.378 -2.819 0.000 +ATOM 36 CA SER 20 13.688 -8.118 -5.674 0.000 +ATOM 37 CB SER 20 13.379 -9.211 -5.493 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