[ CRO ] [ atoms ] N N -0.876045 1 H H 0.368246 2 CA1 CT 0.115696 2 CB1 CT 0.113550 3 CG1 CT -0.136032 4 HG11 HC 0.053862 5 HG12 HC 0.053862 6 HG13 HC 0.053862 7 OG1 OH -0.571904 8 HOG1 HO 0.399623 9 HB1 H1 0.097810 10 HA1 H1 0.092700 11 C1 CK 0.472086 12 N2 NB -0.558701 13 CA2 CC -0.025035 14 C2 C 0.695711 15 O2 O -0.569654 16 CB2 CD 0.034545 17 CG2 CA -0.122048 18 CD1 CA -0.052320 19 CE1 CA -0.195100 20 CZ CA 0.150344 21 CE2 CA -0.195100 22 CD2 CA -0.052320 23 HD2 HA 0.155863 24 HE2 HA 0.149731 25 OH OH -0.482226 26 HOH HO 0.432328 27 HE1 HA 0.149731 28 HD1 HA 0.155863 29 HB2 HA 0.150242 30 N3 N* -0.426678 31 CA3 CT 0.071544 32 HA31 H1 0.105476 33 HA32 H1 0.105476 34 C C 0.630709 35 O O -0.545695 36 [ bonds ] N H C O O CA3 CA3 HA32 CA3 HA31 CA3 N3 N3 C2 N3 C1 C2 O2 C2 CA2 CA2 N2 N2 C1 C1 CA1 CA1 N CA1 HA1 CA1 CB1 CB1 OG1 CB1 HB1 CB1 CG1 OG1 HOG1 CG1 HG12 CG1 HG11 CG1 HG13 CA2 CB2 CB2 HB1 CB2 CG2 CG2 CD2 CD2 CE2 CE2 CZ CZ CE1 CE1 CD1 CD1 CG2 CD2 HD2 CE2 HE2 CE1 HE1 CD1 HD1 CZ OH OH HOH -C N