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%40015.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40015.pdb;h=e57d55cf729cd6d764f2c9722c72949f5f34f051;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@015.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@015.pdb new file mode 100644 index 0000000..e57d55c --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@015.pdb @@ -0,0 +1,61 @@ +REMARK GM 15 e 245371 m 642 ENERGY -7.93944E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.417 0.342 0.324 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.314 -5.509 0.507 0.000 +ATOM 5 CA TYR 3 5.638 -5.093 -3.201 0.000 +ATOM 6 CB TYR 3 7.969 -4.434 -3.750 0.000 +ATOM 7 CA ILE 4 6.535 -8.784 -3.106 0.000 +ATOM 8 CB ILE 4 5.250 -9.643 -2.229 0.000 +ATOM 9 CA GLN 5 7.163 -8.794 -6.854 0.000 +ATOM 10 CB GLN 5 5.609 -7.197 -7.089 0.000 +ATOM 11 CA TRP 6 10.135 -6.474 -6.377 0.000 +ATOM 12 CB TRP 6 12.283 -5.415 -7.400 0.000 +ATOM 13 CA LEU 7 11.397 -8.597 -3.489 0.000 +ATOM 14 CB LEU 7 11.126 -7.319 -2.057 0.000 +ATOM 15 CA LYS 8 11.115 -11.725 -5.628 0.000 +ATOM 16 CB LYS 8 8.951 -12.567 -4.594 0.000 +ATOM 17 CA ASP 9 12.871 -9.990 -8.517 0.000 +ATOM 18 CB ASP 9 11.734 -9.011 -9.334 0.000 +ATOM 19 CA GLY 10 16.091 -9.636 -6.530 0.000 +ATOM 20 CA GLY 11 18.334 -9.358 -9.585 0.000 +ATOM 21 CA PRO 12 17.100 -5.865 -10.433 0.000 +ATOM 22 CB PRO 12 16.683 -6.378 -11.605 0.000 +ATOM 23 CA SER 13 16.984 -4.724 -6.810 0.000 +ATOM 24 CB SER 13 18.027 -4.478 -6.394 0.000 +ATOM 25 CA SER 14 15.375 -1.389 -5.955 0.000 +ATOM 26 CB SER 14 14.240 -1.470 -6.117 0.000 +ATOM 27 CA GLY 15 15.115 -0.090 -2.393 0.000 +ATOM 28 CA ARG 16 11.619 -1.440 -1.766 0.000 +ATOM 29 CB ARG 16 8.793 -0.748 -2.575 0.000 +ATOM 30 CA PRO 17 9.831 -2.098 1.523 0.000 +ATOM 31 CB PRO 17 8.816 -2.696 0.873 0.000 +ATOM 32 CA PRO 18 10.580 -5.460 3.127 0.000 +ATOM 33 CB PRO 18 10.416 -5.142 4.423 0.000 +ATOM 34 CA PRO 19 7.516 -7.705 3.001 0.000 +ATOM 35 CB PRO 19 7.416 -7.371 1.702 0.000 +ATOM 36 CA SER 20 8.357 -9.425 6.283 0.000 +ATOM 37 CB SER 20 9.415 -9.174 6.658 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