HEADER DUMMY FOR WHATIF COMPND DUMMY SOURCE G. VRIENDS IMAGINATION AUTHOR G. VRIEND CRYST1 1000.000 1000.000 1000.000 90.00 90.00 90.00 P 1 SCALE1 .001000 0.000000 0.000000 0.00000 SCALE2 0.000000 0.001000 0.000000 0.00000 SCALE3 0.000000 0.000000 0.001000 0.00000 ATOM 1 N PRO 1 -6.430 -5.540 3.239 1.00 0.00 ATOM 2 CA PRO 1 -5.212 -4.954 3.843 1.00 0.00 ATOM 3 C PRO 1 -5.125 -3.461 3.509 1.00 0.00 ATOM 4 O PRO 1 -5.710 -3.010 2.546 1.00 0.00 ATOM 5 CB PRO 1 -4.035 -5.709 3.213 1.00 0.00 ATOM 6 CG PRO 1 -4.617 -6.745 2.227 1.00 0.00 ATOM 7 CD PRO 1 -6.146 -6.614 2.264 1.00 0.00 ATOM 8 HA PRO 1 -5.213 -5.102 4.910 1.00 0.00 ATOM 9 HB2 PRO 1 -3.374 -5.016 2.693 1.00 0.00 ATOM 10 HB3 PRO 1 -3.472 -6.218 3.980 1.00 0.00 ATOM 11 HG2 PRO 1 -4.269 -6.503 1.223 1.00 0.00 ATOM 12 HG3 PRO 1 -4.332 -7.741 2.531 1.00 0.00 ATOM 13 HD2 PRO 1 -6.529 -6.356 1.276 1.00 0.00 ATOM 14 HD3 PRO 1 -6.594 -7.539 2.591 1.00 0.00 ATOM 15 H2 PRO 1 -7.021 -5.932 3.998 1.00 0.00 ATOM 16 H3 PRO 1 -6.960 -4.784 2.760 1.00 0.00 ATOM 17 N ARG 2 -3.955 -2.977 3.959 1.00 0.00 ATOM 18 CA ARG 2 -3.305 -1.856 3.311 1.00 0.00 ATOM 19 C ARG 2 -2.006 -1.528 4.032 1.00 0.00 ATOM 20 O ARG 2 -1.654 -2.181 5.012 1.00 0.00 ATOM 21 CB ARG 2 -4.243 -0.653 3.314 1.00 0.00 ATOM 22 CG ARG 2 -3.563 0.525 2.621 1.00 0.00 ATOM 23 CD ARG 2 -4.500 1.728 2.625 1.00 0.00 ATOM 24 NE ARG 2 -3.879 2.879 1.970 1.00 0.00 ATOM 25 CZ ARG 2 -4.426 4.103 1.982 1.00 0.00 ATOM 26 NH1 ARG 2 -5.589 4.311 2.613 1.00 0.00 ATOM 27 NH2 ARG 2 -3.810 5.119 1.361 1.00 0.00 ATOM 28 H ARG 2 -3.510 -3.390 4.766 1.00 0.00 ATOM 29 HA ARG 2 -3.078 -2.126 2.280 1.00 0.00 ATOM 30 HB2 ARG 2 -5.161 -0.906 2.783 1.00 0.00 ATOM 31 HB3 ARG 2 -4.482 -0.381 4.341 1.00 0.00 ATOM 32 HG2 ARG 2 -2.645 0.777 3.152 1.00 0.00 ATOM 33 HG3 ARG 2 -3.324 0.252 1.593 1.00 0.00 ATOM 34 HD2 ARG 2 -5.418 1.468 2.096 1.00 0.00 ATOM 35 HD3 ARG 2 -4.743 1.990 3.655 1.00 0.00 ATOM 36 HE ARG 2 -3.003 2.733 1.492 1.00 0.00 ATOM 37 HH12 ARG 2 -6.001 5.233 2.621 1.00 0.00 ATOM 38 HH21 ARG 2 -2.932 4.962 0.886 1.00 0.00 ATOM 39 HH22 ARG 2 -4.222 6.041 1.371 1.00 0.00 ATOM 40 N LYS 3 -1.291 -0.511 3.545 1.00 0.00 ATOM 41 CA LYS 3 -0.036 -0.103 4.146 1.00 0.00 ATOM 42 C LYS 3 0.546 1.077 3.378 1.00 0.00 ATOM 43 O' LYS 3 -0.044 1.538 2.405 1.00 0.00 ATOM 44 CB LYS 3 0.934 -1.280 4.143 1.00 0.00 ATOM 45 CG LYS 3 2.249 -0.857 4.792 1.00 0.00 ATOM 46 CD LYS 3 3.220 -2.033 4.791 1.00 0.00 ATOM 47 CE LYS 3 4.536 -1.608 5.439 1.00 0.00 ATOM 48 NZ LYS 3 5.498 -2.720 5.455 1.00 0.00 ATOM 49 H LYS 3 -1.623 -0.004 2.737 1.00 0.00 ATOM 50 HA LYS 3 -0.220 0.202 5.175 1.00 0.00 ATOM 51 HB2 LYS 3 0.502 -2.108 4.706 1.00 0.00 ATOM 52 HB3 LYS 3 1.121 -1.596 3.117 1.00 0.00 ATOM 53 HG2 LYS 3 2.682 -0.029 4.229 1.00 0.00 ATOM 54 HG3 LYS 3 2.062 -0.540 5.819 1.00 0.00 ATOM 55 HD2 LYS 3 2.788 -2.861 5.354 1.00 0.00 ATOM 56 HD3 LYS 3 3.406 -2.350 3.765 1.00 0.00 ATOM 57 HE2 LYS 3 4.959 -0.776 4.876 1.00 0.00 ATOM 58 HE3 LYS 3 4.342 -1.287 6.462 1.00 0.00 ATOM 59 HZ1 LYS 3 5.685 -3.018 4.508 1.00 0.00 ATOM 60 HZ2 LYS 3 6.359 -2.413 5.887 1.00 0.00 ATOM 61 O'' LYS 3 1.718 1.795 3.585 1.00 0.00 ATOM 62 H'' LYS 3 1.804 2.514 2.895 1.00 0.00 TER