X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40004.pdb;h=22802acf7de16aee8e4afdfd031e8e6b2802951e;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;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..22802ac 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 3696 m 14 ENERGY -1.03107E+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 5.339 0.487 0.479 0.000 +ATOM 3 CA LEU 2 4.042 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.903 -4.354 1.644 0.000 +ATOM 5 CA TYR 3 1.284 -4.145 -2.590 0.000 +ATOM 6 CB TYR 3 -0.629 -4.863 -1.177 0.000 +ATOM 7 CA ILE 4 1.746 -3.628 -6.326 0.000 +ATOM 8 CB ILE 4 3.344 -3.336 -7.044 0.000 +ATOM 9 CA GLN 5 -0.858 -4.700 -8.878 0.000 +ATOM 10 CB GLN 5 -2.801 -4.881 -9.976 0.000 +ATOM 11 CA TRP 6 -0.274 -4.860 -12.629 0.000 +ATOM 12 CB TRP 6 2.112 -3.970 -12.082 0.000 +ATOM 13 CA LEU 7 -2.933 -4.734 -15.342 0.000 +ATOM 14 CB LEU 7 -2.385 -3.205 -16.402 0.000 +ATOM 15 CA LYS 8 -5.287 -7.639 -16.015 0.000 +ATOM 16 CB LYS 8 -5.103 -8.136 -13.530 0.000 +ATOM 17 CA ASP 9 -7.228 -8.271 -19.220 0.000 +ATOM 18 CB ASP 9 -6.378 -9.362 -20.224 0.000 +ATOM 19 CA GLY 10 -10.230 -10.601 -19.284 0.000 +ATOM 20 CA GLY 11 -12.565 -11.929 -21.972 0.000 +ATOM 21 CA PRO 12 -15.334 -10.158 -23.880 0.000 +ATOM 22 CB PRO 12 -15.400 -11.370 -24.459 0.000 +ATOM 23 CA SER 13 -17.993 -8.073 -22.142 0.000 +ATOM 24 CB SER 13 -18.367 -8.408 -21.107 0.000 +ATOM 25 CA SER 14 -18.461 -4.307 -22.330 0.000 +ATOM 26 CB SER 14 -19.574 -4.018 -22.313 0.000 +ATOM 27 CA GLY 15 -17.343 -1.740 -19.760 0.000 +ATOM 28 CA ARG 16 -18.469 1.766 -18.826 0.000 +ATOM 29 CB ARG 16 -20.725 0.081 -17.735 0.000 +ATOM 30 CA PRO 17 -16.734 5.049 -19.637 0.000 +ATOM 31 CB PRO 17 -18.024 5.403 -19.769 0.000 +ATOM 32 CA PRO 18 -14.006 6.252 -17.281 0.000 +ATOM 33 CB PRO 18 -13.295 6.337 -18.419 0.000 +ATOM 34 CA PRO 19 -14.717 9.310 -15.140 0.000 +ATOM 35 CB PRO 19 -14.847 8.343 -14.215 0.000 +ATOM 36 CA SER 20 -12.583 12.402 -15.709 0.000 +ATOM 37 CB SER 20 -13.219 13.348 -15.863 0.000 TER CONECT 1 3 2 CONECT 3 5 4