TITLE OMEGA-AGA-IVB REMARK THIS IS A SIMULATION BOX CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 MODEL 1 ATOM 1 N CYS A 4 -4.232 -17.209 -14.076 1.00 0.00 ATOM 2 CA CYS A 4 -4.104 -17.623 -12.650 1.00 0.00 ATOM 3 C CYS A 4 -4.102 -19.151 -12.561 1.00 0.00 ATOM 4 O CYS A 4 -4.060 -19.841 -13.560 1.00 0.00 : : ATOM 485 HA PRO A 38 -9.981 -25.115 -3.783 1.00 0.00 ATOM 486 HB2 PRO A 38 -11.705 -27.372 -3.349 1.00 0.00 ATOM 487 HB3 PRO A 38 -11.139 -26.719 -4.891 1.00 0.00 ATOM 488 HG2 PRO A 38 -10.323 -29.171 -3.599 1.00 0.00 ATOM 489 HG3 PRO A 38 -9.768 -28.525 -5.148 1.00 0.00 ATOM 490 HD2 PRO A 38 -8.321 -28.635 -2.654 1.00 0.00 ATOM 491 HD3 PRO A 38 -7.763 -27.989 -4.209 1.00 0.00 TER ENDMDL TITLE OMEGA-AGA-IVB REMARK THIS IS A SIMULATION BOX CRYST1 52.479 52.479 52.479 90.00 90.00 90.00 P 1 1 MODEL 2 ATOM 1 N CYS 4 -5.050 -19.270 -13.870 1.00 0.00 ATOM 2 H1 CYS 4 -4.807 -18.921 -14.774 1.00 0.00 ATOM 3 H2 CYS 4 -5.412 -20.190 -13.983 1.00 0.00 ATOM 4 H3 CYS 4 -5.756 -18.688 -13.462 1.00 0.00 : : : ATOM 322 C THR 37 -8.748 -27.036 -2.555 1.00 0.00 ATOM 323 O THR 37 -8.490 -26.908 -3.750 1.00 0.00 ATOM 324 N PRO 38 -9.854 -27.666 -2.169 1.00 0.00 ATOM 325 CA PRO 38 -11.089 -27.614 -2.967 1.00 0.00 ATOM 326 CB PRO 38 -12.061 -28.569 -2.267 1.00 0.00 ATOM 327 CG PRO 38 -11.168 -29.651 -1.664 1.00 0.00 ATOM 328 CD PRO 38 -9.906 -28.857 -1.309 1.00 0.00 ATOM 329 C PRO 38 -11.628 -26.180 -3.009 1.00 0.00 ATOM 330 O1 PRO 38 -12.033 -25.777 -4.115 1.00 0.00 ATOM 331 O2 PRO 38 -11.245 -25.464 -2.059 1.00 0.00 TER ENDMDL