--- a +++ b/tests/data/pdb/4yzm_ring.pdb @@ -0,0 +1,33 @@ +HEADER 4YZM_PROTEIN +COMPND 4YZM_PROTEIN +REMARK GENERATED BY X-TOOL on Sun Nov 13 13:39:13 2016 +ATOM 1 N VAL A1079 -20.548 -3.532 -17.962 1.00 39.74 N +ATOM 2 H VAL A1079 -19.600 -3.800 -17.629 1.00 0.00 H +ATOM 3 CA VAL A1079 -21.703 -3.900 -17.181 1.00 40.23 C +ATOM 4 C VAL A1079 -22.430 -2.750 -16.608 1.00 41.04 C +ATOM 5 O VAL A1079 -23.627 -2.719 -16.620 1.00 42.28 O +ATOM 6 CB VAL A1079 -21.318 -4.765 -16.009 1.00 40.42 C +ATOM 7 CG1 VAL A1079 -22.538 -5.368 -15.398 1.00 39.84 C +ATOM 8 CG2 VAL A1079 -20.415 -5.856 -16.480 1.00 40.72 C +ATOM 9 N PHE A1080 -21.699 -1.815 -16.065 1.00 41.51 N +ATOM 10 H PHE A1080 -20.662 -1.895 -16.069 1.00 0.00 H +ATOM 11 CA PHE A1080 -22.325 -0.690 -15.470 1.00 42.16 C +ATOM 12 C PHE A1080 -23.098 0.085 -16.479 1.00 40.18 C +ATOM 13 O PHE A1080 -24.224 0.396 -16.243 1.00 40.82 O +ATOM 14 CB PHE A1080 -21.224 0.171 -14.879 1.00 44.34 C +ATOM 15 CG PHE A1080 -21.675 1.502 -14.400 1.00 47.05 C +ATOM 16 CD1 PHE A1080 -23.553 1.613 -13.364 1.00 47.00 C +ATOM 17 CD2 PHE A1080 -21.188 2.636 -14.965 1.00 46.27 C +ATOM 18 CE1 PHE A1080 -22.964 2.833 -12.925 1.00 47.28 C +ATOM 19 CE2 PHE A1080 -21.595 3.857 -14.526 1.00 46.80 C +ATOM 20 CZ PHE A1080 -22.483 3.953 -13.506 1.00 46.27 C +ATOM 21 N ILE A1081 -22.489 0.402 -17.604 1.00 37.20 N +ATOM 22 H ILE A1081 -21.501 0.109 -17.743 1.00 0.00 H +ATOM 23 CA ILE A1081 -23.158 1.148 -18.655 1.00 36.09 C +ATOM 24 C ILE A1081 -24.323 0.471 -19.309 1.00 36.24 C +ATOM 25 O ILE A1081 -25.279 1.098 -19.626 1.00 36.36 O +ATOM 26 CB ILE A1081 -22.193 1.570 -19.754 1.00 34.38 C +ATOM 27 CG1 ILE A1081 -21.058 2.340 -19.145 1.00 35.31 C +ATOM 28 CG2 ILE A1081 -22.889 2.440 -20.769 1.00 32.78 C +ATOM 29 CD1 ILE A1081 -20.190 3.058 -20.128 1.00 34.86 C +END