X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Funrestrained%2Foutput%2F1l2y_csa%40005.pdb;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Funrestrained%2Foutput%2F1l2y_csa%40005.pdb;h=e132666dff5e57d7d2746fc326f98c4f1a3d8731;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=0000000000000000000000000000000000000000;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/output/1l2y_csa@005.pdb b/examples/unres/CSA/GAB/CSA/global/unrestrained/output/1l2y_csa@005.pdb new file mode 100644 index 0000000..e132666 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/global/unrestrained/output/1l2y_csa@005.pdb @@ -0,0 +1,60 @@ +REMARK GM 5 e 7630 m 15 ENERGY -6.00184E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.257 1.445 0.734 0.000 +ATOM 3 CA LEU 2 4.039 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.876 -5.393 0.706 0.000 +ATOM 5 CA TYR 3 0.845 -5.583 -1.016 0.000 +ATOM 6 CB TYR 3 0.334 -5.516 -3.446 0.000 +ATOM 7 CA ILE 4 1.176 -9.360 -1.263 0.000 +ATOM 8 CB ILE 4 2.393 -9.899 -0.087 0.000 +ATOM 9 CA GLN 5 -2.575 -9.820 -1.663 0.000 +ATOM 10 CB GLN 5 -4.393 -8.513 -1.722 0.000 +ATOM 11 CA TRP 6 -2.515 -7.868 -4.923 0.000 +ATOM 12 CB TRP 6 -4.768 -7.301 -6.102 0.000 +ATOM 13 CA LEU 7 0.842 -9.312 -5.963 0.000 +ATOM 14 CB LEU 7 2.694 -9.553 -5.444 0.000 +ATOM 15 CA LYS 8 -0.673 -12.738 -6.602 0.000 +ATOM 16 CB LYS 8 0.742 -12.622 -8.709 0.000 +ATOM 17 CA ASP 9 -1.550 -15.186 -3.830 0.000 +ATOM 18 CB ASP 9 -1.742 -15.460 -2.154 0.000 +ATOM 19 CA GLY 10 -3.497 -18.295 -4.821 0.000 +ATOM 20 CA GLY 11 -6.787 -16.491 -5.421 0.000 +ATOM 21 CA PRO 12 -7.847 -13.821 -7.909 0.000 +ATOM 22 CB PRO 12 -8.806 -13.323 -7.108 0.000 +ATOM 23 CA SER 13 -6.183 -10.444 -8.423 0.000 +ATOM 24 CB SER 13 -5.146 -10.642 -7.967 0.000 +ATOM 25 CA SER 14 -6.859 -7.800 -11.067 0.000 +ATOM 26 CB SER 14 -7.926 -7.390 -10.947 0.000 +ATOM 27 CA GLY 15 -5.227 -4.543 -9.984 0.000 +ATOM 28 CA ARG 16 -8.053 -3.566 -7.639 0.000 +ATOM 29 CB ARG 16 -10.622 -4.163 -9.111 0.000 +ATOM 30 CA PRO 17 -9.098 -5.621 -4.619 0.000 +ATOM 31 CB PRO 17 -9.543 -4.405 -4.255 0.000 +ATOM 32 CA PRO 18 -11.169 -8.763 -5.147 0.000 +ATOM 33 CB PRO 18 -10.585 -8.801 -6.358 0.000 +ATOM 34 CA PRO 19 -9.008 -10.752 -2.737 0.000 +ATOM 35 CB PRO 19 -7.970 -10.463 -3.542 0.000 +ATOM 36 CA SER 20 -9.167 -8.030 -0.091 0.000 +ATOM 37 CB SER 20 -9.631 -7.086 -0.557 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