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%40005.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40005.pdb;h=549485ee6752a5d1aa721668a62e2c2cc429c695;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@005.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@005.pdb new file mode 100644 index 0000000..549485e --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@005.pdb @@ -0,0 +1,60 @@ +REMARK GM 5 e 52053 m 108 ENERGY -7.21588E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.277 1.605 0.184 0.000 +ATOM 3 CA LEU 2 5.757 -3.257 0.000 0.000 +ATOM 4 CB LEU 2 6.809 -4.523 -1.026 0.000 +ATOM 5 CA TYR 3 7.201 -4.199 3.386 0.000 +ATOM 6 CB TYR 3 8.144 -2.149 4.425 0.000 +ATOM 7 CA ILE 4 8.646 -7.481 2.129 0.000 +ATOM 8 CB ILE 4 7.668 -8.821 1.493 0.000 +ATOM 9 CA GLN 5 11.747 -5.757 0.769 0.000 +ATOM 10 CB GLN 5 11.549 -4.728 -1.210 0.000 +ATOM 11 CA TRP 6 11.771 -3.374 3.729 0.000 +ATOM 12 CB TRP 6 12.476 -1.037 4.637 0.000 +ATOM 13 CA LEU 7 11.734 -6.280 6.178 0.000 +ATOM 14 CB LEU 7 9.817 -6.410 6.438 0.000 +ATOM 15 CA LYS 8 15.141 -7.377 4.902 0.000 +ATOM 16 CB LYS 8 13.645 -7.928 2.924 0.000 +ATOM 17 CA ASP 9 16.546 -3.932 5.679 0.000 +ATOM 18 CB ASP 9 16.320 -2.256 5.925 0.000 +ATOM 19 CA GLY 10 18.290 -5.236 8.793 0.000 +ATOM 20 CA GLY 11 16.281 -8.429 9.248 0.000 +ATOM 21 CA PRO 12 13.043 -6.876 10.490 0.000 +ATOM 22 CB PRO 12 12.418 -8.060 10.364 0.000 +ATOM 23 CA SER 13 14.771 -3.725 11.726 0.000 +ATOM 24 CB SER 13 15.904 -3.595 11.575 0.000 +ATOM 25 CA SER 14 13.499 -1.621 8.829 0.000 +ATOM 26 CB SER 14 12.788 -2.326 8.263 0.000 +ATOM 27 CA GLY 15 11.464 1.586 8.697 0.000 +ATOM 28 CA ARG 16 10.741 3.286 5.376 0.000 +ATOM 29 CB ARG 16 12.273 5.625 6.517 0.000 +ATOM 30 CA PRO 17 9.728 1.268 2.319 0.000 +ATOM 31 CB PRO 17 8.827 2.250 2.138 0.000 +ATOM 32 CA PRO 18 11.866 0.408 -0.702 0.000 +ATOM 33 CB PRO 18 12.372 -0.646 -0.037 0.000 +ATOM 34 CA PRO 19 9.211 -1.077 -2.980 0.000 +ATOM 35 CB PRO 19 8.486 -0.117 -2.379 0.000 +ATOM 36 CA SER 20 10.398 -2.994 -6.039 0.000 +ATOM 37 CB SER 20 9.976 -4.063 -6.004 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