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%40010.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40010.pdb;h=d11d352feb63e070ec33386209d41e4538484be1;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@010.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@010.pdb new file mode 100644 index 0000000..d11d352 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@010.pdb @@ -0,0 +1,60 @@ +REMARK GM 10 e 107542 m 228 ENERGY -7.49766E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.008 1.627 0.382 0.000 +ATOM 3 CA LEU 2 5.491 -3.403 0.000 0.000 +ATOM 4 CB LEU 2 5.274 -5.199 -0.698 0.000 +ATOM 5 CA TYR 3 8.830 -4.043 1.697 0.000 +ATOM 6 CB TYR 3 7.442 -5.190 3.408 0.000 +ATOM 7 CA ILE 4 11.200 -6.948 1.078 0.000 +ATOM 8 CB ILE 4 12.901 -6.523 0.790 0.000 +ATOM 9 CA GLN 5 9.506 -9.012 3.781 0.000 +ATOM 10 CB GLN 5 8.020 -9.326 5.427 0.000 +ATOM 11 CA TRP 6 6.185 -8.580 1.986 0.000 +ATOM 12 CB TRP 6 4.148 -9.187 3.492 0.000 +ATOM 13 CA LEU 7 7.868 -9.326 -1.339 0.000 +ATOM 14 CB LEU 7 9.235 -8.813 -2.615 0.000 +ATOM 15 CA LYS 8 9.413 -12.483 0.107 0.000 +ATOM 16 CB LYS 8 11.644 -11.525 0.857 0.000 +ATOM 17 CA ASP 9 5.982 -13.801 1.073 0.000 +ATOM 18 CB ASP 9 4.640 -12.772 1.318 0.000 +ATOM 19 CA GLY 10 5.876 -16.062 -1.979 0.000 +ATOM 20 CA GLY 11 6.338 -13.301 -4.548 0.000 +ATOM 21 CA PRO 12 9.297 -11.732 -6.344 0.000 +ATOM 22 CB PRO 12 8.400 -10.774 -6.639 0.000 +ATOM 23 CA SER 13 12.537 -10.853 -4.565 0.000 +ATOM 24 CB SER 13 13.314 -11.698 -4.637 0.000 +ATOM 25 CA SER 14 14.754 -8.079 -5.919 0.000 +ATOM 26 CB SER 14 14.086 -7.303 -6.442 0.000 +ATOM 27 CA GLY 15 16.115 -5.648 -3.334 0.000 +ATOM 28 CA ARG 16 13.116 -3.317 -3.456 0.000 +ATOM 29 CB ARG 16 12.587 -2.535 -0.587 0.000 +ATOM 30 CA PRO 17 9.711 -4.735 -4.371 0.000 +ATOM 31 CB PRO 17 9.397 -4.068 -3.246 0.000 +ATOM 32 CA PRO 18 8.888 -5.214 -8.050 0.000 +ATOM 33 CB PRO 18 9.610 -6.349 -8.025 0.000 +ATOM 34 CA PRO 19 5.187 -5.705 -7.342 0.000 +ATOM 35 CB PRO 19 5.736 -6.072 -6.170 0.000 +ATOM 36 CA SER 20 2.759 -3.222 -8.884 0.000 +ATOM 37 CB SER 20 2.459 -3.689 -9.891 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