X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40004.pdb;h=48052413cba5aa150559e50fb19bbecc9c0333ea;hb=8fe319640b1d7d6e9471168cad02823d363aaaa1;hp=c13183cd9ddf8c7a0dccd5cc90f7c6e810d5480b;hpb=973e30c3fc3444f4e49450c68a510ce149896509;p=unres.git diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@004.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@004.pdb index c13183c..4805241 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@004.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@004.pdb @@ -1,41 +1,41 @@ -REMARK GM 4 e 3168 m 12 ENERGY -1.02386E+02 +REMARK GM 4 e 1661 m 6 ENERGY -1.26342E+02 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 4.248 1.454 0.723 0.000 -ATOM 3 CA LEU 2 4.040 -3.792 0.000 0.000 -ATOM 4 CB LEU 2 4.040 -5.658 0.528 0.000 -ATOM 5 CA TYR 3 1.446 -4.123 -2.758 0.000 -ATOM 6 CB TYR 3 1.444 -1.956 -3.971 0.000 -ATOM 7 CA ILE 4 2.790 -7.462 -3.976 0.000 -ATOM 8 CB ILE 4 4.497 -7.910 -4.169 0.000 -ATOM 9 CA GLN 5 2.119 -10.435 -1.706 0.000 -ATOM 10 CB GLN 5 0.759 -8.981 -0.680 0.000 -ATOM 11 CA TRP 6 2.774 -13.430 -3.951 0.000 -ATOM 12 CB TRP 6 1.152 -11.507 -4.626 0.000 -ATOM 13 CA LEU 7 6.215 -14.783 -4.831 0.000 -ATOM 14 CB LEU 7 7.437 -16.197 -4.317 0.000 -ATOM 15 CA LYS 8 8.340 -13.326 -7.624 0.000 -ATOM 16 CB LYS 8 9.659 -11.239 -7.022 0.000 -ATOM 17 CA ASP 9 11.183 -15.504 -8.896 0.000 -ATOM 18 CB ASP 9 11.620 -14.919 -10.441 0.000 -ATOM 19 CA GLY 10 12.553 -16.040 -5.392 0.000 -ATOM 20 CA GLY 11 11.100 -14.164 -2.424 0.000 -ATOM 21 CA PRO 12 9.130 -10.915 -2.334 0.000 -ATOM 22 CB PRO 12 8.494 -11.580 -1.353 0.000 -ATOM 23 CA SER 13 10.896 -7.755 -3.491 0.000 -ATOM 24 CB SER 13 10.281 -6.785 -3.428 0.000 -ATOM 25 CA SER 14 12.752 -7.292 -0.208 0.000 -ATOM 26 CB SER 14 12.110 -7.626 0.686 0.000 -ATOM 27 CA GLY 15 15.865 -9.206 0.834 0.000 -ATOM 28 CA ARG 16 14.414 -10.495 4.101 0.000 -ATOM 29 CB ARG 16 12.400 -9.105 5.872 0.000 -ATOM 30 CA PRO 17 12.583 -13.740 4.848 0.000 -ATOM 31 CB PRO 17 13.030 -13.467 6.087 0.000 -ATOM 32 CA PRO 18 8.891 -14.002 3.987 0.000 -ATOM 33 CB PRO 18 9.409 -14.297 2.782 0.000 -ATOM 34 CA PRO 19 6.713 -15.906 6.451 0.000 -ATOM 35 CB PRO 19 7.922 -16.022 7.029 0.000 -ATOM 36 CA SER 20 3.320 -14.483 7.404 0.000 -ATOM 37 CB SER 20 2.541 -14.973 6.714 0.000 +ATOM 2 CB ASN 1 5.337 0.493 0.480 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.308 -4.092 1.438 0.000 +ATOM 5 CA TYR 3 1.321 -4.143 -2.629 0.000 +ATOM 6 CB TYR 3 -0.790 -4.706 -1.447 0.000 +ATOM 7 CA ILE 4 1.984 -3.713 -6.346 0.000 +ATOM 8 CB ILE 4 3.575 -3.378 -7.059 0.000 +ATOM 9 CA GLN 5 -0.447 -4.946 -8.994 0.000 +ATOM 10 CB GLN 5 -2.542 -5.164 -9.755 0.000 +ATOM 11 CA TRP 6 0.267 -5.129 -12.722 0.000 +ATOM 12 CB TRP 6 2.255 -3.605 -13.438 0.000 +ATOM 13 CA LEU 7 -2.280 -5.327 -15.535 0.000 +ATOM 14 CB LEU 7 -1.934 -4.176 -17.057 0.000 +ATOM 15 CA LYS 8 -4.403 -8.469 -15.779 0.000 +ATOM 16 CB LYS 8 -3.819 -8.478 -13.306 0.000 +ATOM 17 CA ASP 9 -6.194 -9.906 -18.807 0.000 +ATOM 18 CB ASP 9 -5.441 -11.243 -19.560 0.000 +ATOM 19 CA GLY 10 -9.117 -12.304 -18.423 0.000 +ATOM 20 CA GLY 11 -11.277 -14.323 -20.810 0.000 +ATOM 21 CA PRO 12 -13.998 -13.165 -23.196 0.000 +ATOM 22 CB PRO 12 -13.973 -14.481 -23.473 0.000 +ATOM 23 CA SER 13 -16.792 -10.832 -22.105 0.000 +ATOM 24 CB SER 13 -17.526 -10.480 -21.292 0.000 +ATOM 25 CA SER 14 -17.359 -7.236 -23.193 0.000 +ATOM 26 CB SER 14 -18.482 -6.997 -23.256 0.000 +ATOM 27 CA GLY 15 -16.400 -4.104 -21.265 0.000 +ATOM 28 CA ARG 16 -17.628 -0.509 -21.201 0.000 +ATOM 29 CB ARG 16 -19.200 -1.800 -18.969 0.000 +ATOM 30 CA PRO 17 -16.001 2.547 -22.769 0.000 +ATOM 31 CB PRO 17 -17.302 2.842 -22.942 0.000 +ATOM 32 CA PRO 18 -13.317 4.356 -20.779 0.000 +ATOM 33 CB PRO 18 -12.605 4.173 -21.905 0.000 +ATOM 34 CA PRO 19 -14.130 7.807 -19.410 0.000 +ATOM 35 CB PRO 19 -14.174 7.093 -18.271 0.000 +ATOM 36 CA SER 20 -12.103 10.750 -20.702 0.000 +ATOM 37 CB SER 20 -12.764 11.622 -21.055 0.000 TER CONECT 1 3 2 CONECT 3 5 4