diff --git a/modules/io/tests/testfiles/pdb/ter4.pdb b/modules/io/tests/testfiles/pdb/ter4.pdb index c952f237ebe84e6f4d24a6b2cf13f1ab9383e4f4..aa16c89505638ed0741c1998fb8b4856c31d7996 100644 --- a/modules/io/tests/testfiles/pdb/ter4.pdb +++ b/modules/io/tests/testfiles/pdb/ter4.pdb @@ -1,27 +1,26 @@ -CRYST1 65.500 65.500 160.000 90.00 90.00 90.00 P 4 2 2 -ATOM 1 CB ARG A 5 54.221 28.817 46.886 1.00 80.23 A C -ATOM 2 CG ARG A 5 54.014 28.661 48.384 1.00 79.76 A C -ATOM 3 CD ARG A 5 53.901 29.993 49.091 1.00 79.93 A C -ATOM 4 NE ARG A 5 55.153 30.743 49.053 1.00 79.60 A N -ATOM 5 CZ ARG A 5 55.375 31.851 49.753 1.00 79.44 A C -ATOM 6 NH1 ARG A 5 54.425 32.333 50.545 1.00 79.21 A N -ATOM 7 NH2 ARG A 5 56.543 32.475 49.661 1.00 79.57 A N -ATOM 8 C ARG A 5 54.203 27.642 44.665 1.00 80.18 A C -ATOM 9 O ARG A 5 54.697 26.854 43.860 1.00 80.24 A O -ATOM 10 N ARG A 5 55.792 26.946 46.486 1.00 80.39 A N -ATOM 11 CA ARG A 5 54.437 27.479 46.167 1.00 80.33 A C -ATOM 12 N SER A 6 53.441 28.666 44.297 1.00 80.44 A N -ATOM 13 CA SER A 6 53.129 28.922 42.897 1.00 80.22 A C -ATOM 14 CB SER A 6 52.450 30.285 42.745 1.00 79.46 A C -ATOM 15 OG SER A 6 52.075 30.513 41.398 1.00 79.08 A O -ATOM 16 C SER A 6 54.371 28.872 42.015 1.00 80.20 A C -ATOM 17 O SER A 6 54.274 28.620 40.812 1.00 80.66 A O +ATOM 1 CB ARG A 5 54.221 28.817 46.886 1.00 80.23 C +ATOM 2 CG ARG A 5 54.014 28.661 48.384 1.00 79.76 C +ATOM 3 CD ARG A 5 53.901 29.993 49.091 1.00 79.93 C +ATOM 4 NE ARG A 5 55.153 30.743 49.053 1.00 79.60 N +ATOM 5 CZ ARG A 5 55.375 31.851 49.753 1.00 79.44 C +ATOM 6 NH1 ARG A 5 54.425 32.333 50.545 1.00 79.21 N +ATOM 7 NH2 ARG A 5 56.543 32.475 49.661 1.00 79.57 N +ATOM 8 C ARG A 5 54.203 27.642 44.665 1.00 80.18 C +ATOM 9 O ARG A 5 54.697 26.854 43.860 1.00 80.24 O +ATOM 10 N ARG A 5 55.792 26.946 46.486 1.00 80.39 N +ATOM 11 CA ARG A 5 54.437 27.479 46.167 1.00 80.33 C +ATOM 12 N SER A 6 53.441 28.666 44.297 1.00 80.44 N +ATOM 13 CA SER A 6 53.129 28.922 42.897 1.00 80.22 C +ATOM 14 CB SER A 6 52.450 30.285 42.745 1.00 79.46 C +ATOM 15 OG SER A 6 52.075 30.513 41.398 1.00 79.08 O +ATOM 16 C SER A 6 54.371 28.872 42.015 1.00 80.20 C +ATOM 17 O SER A 6 54.274 28.620 40.812 1.00 80.66 O TER 18 SER A 6 -ATOM 1680 C44 MC3 B 264 39.239 27.459 24.810 1.00 79.54 B C -ATOM 1681 C43 MC3 B 264 38.743 26.476 23.747 1.00 80.47 B C +ATOM 1680 C44 MC3 B 264 39.239 27.459 24.810 1.00 79.54 C +ATOM 1681 C43 MC3 B 264 38.743 26.476 23.747 1.00 80.47 C TER 1682 MC3 B 264 -ATOM 1726 C44 MC3 C 265 62.635 29.009 23.846 1.00 81.10 C C -ATOM 1727 C43 MC3 C 265 63.065 29.658 22.529 1.00 79.41 C C -ATOM 1728 C42 MC3 C 265 61.857 29.941 21.636 1.00 79.32 C C +ATOM 1726 C44 MC3 C 265 62.635 29.009 23.846 1.00 81.10 C +ATOM 1727 C43 MC3 C 265 63.065 29.658 22.529 1.00 79.41 C +ATOM 1728 C42 MC3 C 265 61.857 29.941 21.636 1.00 79.32 C TER 1729 MC3 C 265 END