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/tests/data/pdb/4e6d_residues.pdb
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--- a +++ b/tests/data/pdb/4e6d_residues.pdb @@ -0,0 +1,63 @@ +HEADER 4E6D_PROTEIN +COMPND 4E6D_PROTEIN +REMARK GENERATED BY X-TOOL on Wed Jul 31 18:36:03 2013 +ATOM 1 N ASP A 840 -24.300 -51.524 -12.153 0.00 30.00 N +ATOM 2 HN1 ASP A 840 -24.842 -51.989 -11.397 1.00 0.00 H +ATOM 3 HN2 ASP A 840 -23.963 -52.239 -12.829 1.00 0.00 H +ATOM 4 HN3 ASP A 840 -23.486 -51.024 -11.741 1.00 0.00 H +ATOM 5 CA ASP A 840 -25.157 -50.568 -12.845 0.00 30.00 C +ATOM 6 HA ASP A 840 -25.984 -51.121 -13.290 1.00 0.00 H +ATOM 7 C ASP A 840 -24.402 -49.861 -13.965 0.00 30.00 C +ATOM 8 O ASP A 840 -24.966 -49.574 -15.021 0.00 30.00 O +ATOM 9 CB ASP A 840 -25.718 -49.542 -11.858 0.00 20.00 C +ATOM 10 HB1 ASP A 840 -24.896 -49.145 -11.262 1.00 0.00 H +ATOM 11 HB2 ASP A 840 -26.181 -48.732 -12.422 1.00 0.00 H +ATOM 12 CG ASP A 840 -26.752 -50.137 -10.924 0.00 20.00 C +ATOM 13 OD1 ASP A 840 -27.245 -51.248 -11.210 0.00 20.00 O +ATOM 14 OD2 ASP A 840 -27.135 -49.566 -9.880 0.00 20.00 O +ATOM 15 N PRO A 841 -23.124 -49.584 -13.728 0.00 30.00 N +ATOM 16 CA PRO A 841 -22.286 -48.907 -14.722 0.00 30.00 C +ATOM 17 HA PRO A 841 -22.455 -47.830 -14.743 1.00 0.00 H +ATOM 18 C PRO A 841 -22.577 -49.397 -16.137 0.00 30.00 C +ATOM 19 O PRO A 841 -22.002 -50.393 -16.574 0.00 30.00 O +ATOM 20 CB PRO A 841 -20.869 -49.307 -14.309 0.00 20.00 C +ATOM 21 HB1 PRO A 841 -20.224 -49.399 -15.183 1.00 0.00 H +ATOM 22 HB2 PRO A 841 -20.446 -48.574 -13.622 1.00 0.00 H +ATOM 23 CG PRO A 841 -21.038 -50.626 -13.636 0.00 20.00 C +ATOM 24 HG1 PRO A 841 -21.043 -51.430 -14.372 1.00 0.00 H +ATOM 25 HG2 PRO A 841 -20.232 -50.794 -12.921 1.00 0.00 H +ATOM 26 CD PRO A 841 -22.361 -50.556 -12.927 0.00 20.00 C +ATOM 27 HD1 PRO A 841 -22.237 -50.206 -11.902 1.00 0.00 H +ATOM 28 HD2 PRO A 841 -22.853 -51.529 -12.921 1.00 0.00 H +ATOM 29 N THR A 842 -23.463 -48.698 -16.839 0.00 30.00 N +ATOM 30 H THR A 842 -23.910 -47.865 -16.405 1.00 0.00 H +ATOM 31 CA THR A 842 -23.824 -49.069 -18.202 0.00 30.00 C +ATOM 32 HA THR A 842 -24.879 -49.341 -18.184 1.00 0.00 H +ATOM 33 C THR A 842 -23.006 -50.262 -18.684 0.00 30.00 C +ATOM 34 O THR A 842 -22.487 -50.261 -19.801 0.00 30.00 O +ATOM 35 CB THR A 842 -23.627 -47.895 -19.178 0.00 20.00 C +ATOM 36 HB THR A 842 -23.803 -48.253 -20.192 1.00 0.00 H +ATOM 37 OG1 THR A 842 -22.289 -47.394 -19.064 0.00 20.00 O +ATOM 38 HG1 THR A 842 -21.648 -48.116 -19.283 1.00 0.00 H +ATOM 39 CG2 THR A 842 -24.611 -46.776 -18.872 0.00 20.00 C +ATOM 40 1HG2 THR A 842 -24.442 -46.412 -17.858 1.00 0.00 H +ATOM 41 2HG2 THR A 842 -24.464 -45.961 -19.581 1.00 0.00 H +ATOM 42 3HG2 THR A 842 -25.629 -47.156 -18.958 1.00 0.00 H +ATOM 43 N GLN A 843 -22.893 -51.278 -17.835 1.00 69.65 N +ATOM 44 H GLN A 843 -23.355 -51.215 -16.906 1.00 0.00 H +ATOM 45 CA GLN A 843 -22.138 -52.479 -18.172 1.00 73.88 C +ATOM 46 HA GLN A 843 -21.145 -52.381 -17.734 1.00 0.00 H +ATOM 47 C GLN A 843 -21.980 -52.627 -19.681 1.00 67.08 C +ATOM 48 O GLN A 843 -22.963 -52.612 -20.422 1.00 68.00 O +ATOM 49 CB GLN A 843 -22.817 -53.720 -17.590 1.00 85.84 C +ATOM 50 HB1 GLN A 843 -23.896 -53.566 -17.619 1.00 0.00 H +ATOM 51 HB2 GLN A 843 -22.557 -54.576 -18.212 1.00 0.00 H +ATOM 52 CG GLN A 843 -22.418 -54.032 -16.157 1.00 98.22 C +ATOM 53 HG1 GLN A 843 -22.168 -55.091 -16.086 1.00 0.00 H +ATOM 54 HG2 GLN A 843 -21.543 -53.435 -15.900 1.00 0.00 H +ATOM 55 CD GLN A 843 -23.523 -53.726 -15.165 1.00107.34 C +ATOM 56 OE1 GLN A 843 -23.413 -54.038 -13.979 1.00109.35 O +ATOM 57 NE2 GLN A 843 -24.598 -53.112 -15.647 1.00110.27 N +ATOM 58 1HE2 GLN A 843 -25.389 -52.876 -15.015 1.00 0.00 H +ATOM 59 2HE2 GLN A 843 -24.648 -52.867 -16.656 1.00 0.00 H +END