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%40002.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40002.pdb;h=cbdd1df6314ab4ca10b6d48ceeb1260a855c57be;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@002.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@002.pdb new file mode 100644 index 0000000..cbdd1df --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@002.pdb @@ -0,0 +1,61 @@ +REMARK GM 2 e 3364 m 9 ENERGY -6.36426E+01 +HELIX 1 H1 LEU 2 GLY 11 1 9 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.467 0.111 0.212 0.000 +ATOM 3 CA LEU 2 4.066 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.436 -4.472 1.703 0.000 +ATOM 5 CA TYR 3 4.160 -3.913 -3.797 0.000 +ATOM 6 CB TYR 3 4.119 -2.841 -6.037 0.000 +ATOM 7 CA ILE 4 7.619 -2.341 -3.741 0.000 +ATOM 8 CB ILE 4 7.874 -0.585 -3.662 0.000 +ATOM 9 CA GLN 5 8.860 -5.326 -1.743 0.000 +ATOM 10 CB GLN 5 7.174 -6.435 -0.772 0.000 +ATOM 11 CA TRP 6 7.224 -7.647 -4.269 0.000 +ATOM 12 CB TRP 6 7.147 -10.181 -3.671 0.000 +ATOM 13 CA LEU 7 8.378 -5.415 -7.120 0.000 +ATOM 14 CB LEU 7 8.219 -3.682 -7.975 0.000 +ATOM 15 CA LYS 8 11.966 -5.625 -5.888 0.000 +ATOM 16 CB LYS 8 12.079 -3.173 -5.228 0.000 +ATOM 17 CA ASP 9 11.590 -9.315 -5.061 0.000 +ATOM 18 CB ASP 9 11.105 -9.422 -3.426 0.000 +ATOM 19 CA GLY 10 10.637 -10.213 -8.628 0.000 +ATOM 20 CA GLY 11 10.924 -8.247 -11.867 0.000 +ATOM 21 CA PRO 12 9.506 -4.984 -13.202 0.000 +ATOM 22 CB PRO 12 9.722 -5.570 -14.393 0.000 +ATOM 23 CA SER 13 6.187 -3.290 -12.456 0.000 +ATOM 24 CB SER 13 5.603 -3.719 -11.564 0.000 +ATOM 25 CA SER 14 6.096 0.224 -11.013 0.000 +ATOM 26 CB SER 14 5.577 1.075 -11.588 0.000 +ATOM 27 CA GLY 15 5.852 1.107 -7.326 0.000 +ATOM 28 CA ARG 16 4.966 4.115 -5.179 0.000 +ATOM 29 CB ARG 16 4.204 1.510 -3.854 0.000 +ATOM 30 CA PRO 17 7.767 6.298 -3.825 0.000 +ATOM 31 CB PRO 17 6.892 7.201 -4.303 0.000 +ATOM 32 CA PRO 18 7.735 5.538 -0.102 0.000 +ATOM 33 CB PRO 18 6.929 4.563 -0.560 0.000 +ATOM 34 CA PRO 19 11.484 4.926 0.026 0.000 +ATOM 35 CB PRO 19 11.228 4.678 -1.271 0.000 +ATOM 36 CA SER 20 13.456 7.039 2.493 0.000 +ATOM 37 CB SER 20 13.551 8.045 1.945 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