X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40022.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40022.pdb;h=edef53ff00f4671994567de201f56953b905ba98;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@022.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@022.pdb new file mode 100644 index 0000000..edef53f --- /dev/null +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@022.pdb @@ -0,0 +1,61 @@ +REMARK GM 22 e 1219385 m 4850 ENERGY -2.09450E+02 +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 5.355 0.453 0.460 0.000 +ATOM 3 CA LEU 2 4.043 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.568 -4.434 1.010 0.000 +ATOM 5 CA TYR 3 1.364 -4.129 -2.674 0.000 +ATOM 6 CB TYR 3 -0.817 -3.373 -3.591 0.000 +ATOM 7 CA ILE 4 2.487 -7.635 -3.619 0.000 +ATOM 8 CB ILE 4 4.132 -7.599 -2.949 0.000 +ATOM 9 CA GLN 5 0.526 -9.208 -0.769 0.000 +ATOM 10 CB GLN 5 1.337 -8.968 1.306 0.000 +ATOM 11 CA TRP 6 -2.426 -6.900 -1.398 0.000 +ATOM 12 CB TRP 6 -3.934 -4.796 -1.106 0.000 +ATOM 13 CA LEU 7 -2.628 -7.895 -5.060 0.000 +ATOM 14 CB LEU 7 -2.398 -6.567 -6.453 0.000 +ATOM 15 CA LYS 8 -2.771 -11.587 -4.170 0.000 +ATOM 16 CB LYS 8 -0.518 -11.214 -3.057 0.000 +ATOM 17 CA ASP 9 -5.665 -11.097 -1.755 0.000 +ATOM 18 CB ASP 9 -6.227 -9.499 -1.534 0.000 +ATOM 19 CA GLY 10 -8.269 -10.951 -4.519 0.000 +ATOM 20 CA GLY 11 -7.989 -7.189 -4.975 0.000 +ATOM 21 CA PRO 12 -8.755 -4.669 -7.714 0.000 +ATOM 22 CB PRO 12 -7.904 -3.830 -7.096 0.000 +ATOM 23 CA SER 13 -6.634 -6.541 -10.251 0.000 +ATOM 24 CB SER 13 -5.773 -7.113 -9.747 0.000 +ATOM 25 CA SER 14 -8.753 -9.683 -9.971 0.000 +ATOM 26 CB SER 14 -8.908 -9.846 -8.843 0.000 +ATOM 27 CA GLY 15 -12.015 -7.805 -10.492 0.000 +ATOM 28 CA ARG 16 -11.012 -6.323 -13.845 0.000 +ATOM 29 CB ARG 16 -8.160 -6.477 -14.824 0.000 +ATOM 30 CA PRO 17 -10.561 -8.508 -16.921 0.000 +ATOM 31 CB PRO 17 -11.454 -7.619 -17.391 0.000 +ATOM 32 CA PRO 18 -7.097 -9.944 -17.539 0.000 +ATOM 33 CB PRO 18 -7.772 -11.089 -17.742 0.000 +ATOM 34 CA PRO 19 -5.038 -8.486 -20.381 0.000 +ATOM 35 CB PRO 19 -4.215 -8.000 -19.435 0.000 +ATOM 36 CA SER 20 -3.835 -11.900 -21.538 0.000 +ATOM 37 CB SER 20 -3.506 -12.638 -20.720 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