X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40002.pdb;fp=examples%2Funres%2FCSA%2F4P%2FCSA%2Foutput%2F1l2y_csa%40002.pdb;h=3478ac47aa9201711f2cea0f80e761b7feb8a9c2;hb=6c23f8d4f1fe8f0479fb8c6b16ff17e6c59c03d2;hp=0000000000000000000000000000000000000000;hpb=c6cc12f77df252d56c9480ce4822c58fc8981c32;p=unres.git diff --git a/examples/unres/CSA/4P/CSA/output/1l2y_csa@002.pdb b/examples/unres/CSA/4P/CSA/output/1l2y_csa@002.pdb new file mode 100644 index 0000000..3478ac4 --- /dev/null +++ b/examples/unres/CSA/4P/CSA/output/1l2y_csa@002.pdb @@ -0,0 +1,60 @@ +REMARK GM 2 e 356 m 2 ENERGY -7.16926E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.251 0.743 0.420 0.000 +ATOM 3 CA LEU 2 5.560 -3.368 0.000 0.000 +ATOM 4 CB LEU 2 4.449 -4.469 -1.146 0.000 +ATOM 5 CA TYR 3 9.068 -3.804 1.394 0.000 +ATOM 6 CB TYR 3 9.259 -1.455 2.181 0.000 +ATOM 7 CA ILE 4 11.338 -6.849 1.281 0.000 +ATOM 8 CB ILE 4 11.568 -7.541 -0.339 0.000 +ATOM 9 CA GLN 5 14.536 -7.080 3.319 0.000 +ATOM 10 CB GLN 5 13.541 -8.541 4.694 0.000 +ATOM 11 CA TRP 6 18.019 -6.019 2.230 0.000 +ATOM 12 CB TRP 6 19.908 -4.777 0.935 0.000 +ATOM 13 CA LEU 7 21.220 -7.403 3.739 0.000 +ATOM 14 CB LEU 7 20.537 -9.146 4.241 0.000 +ATOM 15 CA LYS 8 24.476 -5.446 3.641 0.000 +ATOM 16 CB LYS 8 25.272 -5.653 6.045 0.000 +ATOM 17 CA ASP 9 26.757 -5.077 0.624 0.000 +ATOM 18 CB ASP 9 25.650 -4.886 -0.664 0.000 +ATOM 19 CA GLY 10 30.444 -4.282 1.087 0.000 +ATOM 20 CA GLY 11 32.875 -3.520 -1.732 0.000 +ATOM 21 CA PRO 12 36.459 -2.279 -1.967 0.000 +ATOM 22 CB PRO 12 36.331 -2.859 -3.174 0.000 +ATOM 23 CA SER 13 37.260 1.150 -0.538 0.000 +ATOM 24 CB SER 13 37.307 1.161 0.611 0.000 +ATOM 25 CA SER 14 39.430 3.823 -2.145 0.000 +ATOM 26 CB SER 14 38.816 4.550 -2.792 0.000 +ATOM 27 CA GLY 15 41.324 6.536 -0.277 0.000 +ATOM 28 CA ARG 16 39.862 9.651 1.336 0.000 +ATOM 29 CB ARG 16 39.972 12.579 2.066 0.000 +ATOM 30 CA PRO 17 36.929 11.067 -0.622 0.000 +ATOM 31 CB PRO 17 37.731 10.716 -1.644 0.000 +ATOM 32 CA PRO 18 33.385 9.748 -0.248 0.000 +ATOM 33 CB PRO 18 33.463 10.367 0.944 0.000 +ATOM 34 CA PRO 19 30.773 10.690 -2.843 0.000 +ATOM 35 CB PRO 19 30.922 9.382 -3.120 0.000 +ATOM 36 CA SER 20 28.013 13.078 -1.787 0.000 +ATOM 37 CB SER 20 27.900 13.960 -2.517 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