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%40023.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40023.pdb;h=64a15b62c9573e418908c1c15e5d825d39882575;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@023.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@023.pdb new file mode 100644 index 0000000..64a15b6 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@023.pdb @@ -0,0 +1,61 @@ +REMARK GM 23 e 1022819 m 3172 ENERGY -8.75615E+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 4.132 1.548 0.573 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.671 -5.690 0.152 0.000 +ATOM 5 CA TYR 3 1.360 -4.041 -2.684 0.000 +ATOM 6 CB TYR 3 1.128 -1.573 -2.521 0.000 +ATOM 7 CA ILE 4 3.969 -3.744 -5.430 0.000 +ATOM 8 CB ILE 4 4.367 -2.216 -6.244 0.000 +ATOM 9 CA GLN 5 6.195 -6.240 -3.626 0.000 +ATOM 10 CB GLN 5 7.220 -4.585 -2.517 0.000 +ATOM 11 CA TRP 6 3.236 -8.582 -3.183 0.000 +ATOM 12 CB TRP 6 1.752 -10.723 -3.181 0.000 +ATOM 13 CA LEU 7 1.951 -7.792 -6.671 0.000 +ATOM 14 CB LEU 7 0.379 -6.987 -5.872 0.000 +ATOM 15 CA LYS 8 5.363 -8.578 -8.148 0.000 +ATOM 16 CB LYS 8 5.942 -6.211 -8.867 0.000 +ATOM 17 CA ASP 9 5.963 -11.382 -5.654 0.000 +ATOM 18 CB ASP 9 6.347 -10.471 -4.261 0.000 +ATOM 19 CA GLY 10 3.033 -13.372 -7.032 0.000 +ATOM 20 CA GLY 11 -0.513 -12.041 -6.732 0.000 +ATOM 21 CA PRO 12 -3.179 -11.771 -4.037 0.000 +ATOM 22 CB PRO 12 -4.144 -12.361 -4.765 0.000 +ATOM 23 CA SER 13 -2.788 -14.859 -1.857 0.000 +ATOM 24 CB SER 13 -3.723 -15.516 -1.729 0.000 +ATOM 25 CA SER 14 -1.340 -16.820 -4.772 0.000 +ATOM 26 CB SER 14 -1.261 -16.134 -5.692 0.000 +ATOM 27 CA GLY 15 2.210 -16.079 -3.637 0.000 +ATOM 28 CA ARG 16 2.492 -13.918 -0.525 0.000 +ATOM 29 CB ARG 16 4.392 -11.574 -0.400 0.000 +ATOM 30 CA PRO 17 0.038 -11.531 1.126 0.000 +ATOM 31 CB PRO 17 0.760 -11.853 2.215 0.000 +ATOM 32 CA PRO 18 -0.363 -7.906 0.059 0.000 +ATOM 33 CB PRO 18 -0.954 -8.420 -1.034 0.000 +ATOM 34 CA PRO 19 -2.134 -5.132 1.958 0.000 +ATOM 35 CB PRO 19 -1.140 -4.384 1.449 0.000 +ATOM 36 CA SER 20 -4.766 -4.718 -0.751 0.000 +ATOM 37 CB SER 20 -4.323 -5.053 -1.758 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