HIE
sasa= 191.633
numAtoms= 10
numHAtoms= 7
numBonds= 10
numBonds_H= 7
numAngles= 12
numDihedrals= 2
numImpropers= 1
Atom   N     -1.1630   -0.8930   -0.9570    11.200	-0.528120	*N 
Atom   C      0.8730   -1.9270   -1.7990     9.960	0.662405  *C 
Atom   CA     0.2760   -0.9170   -0.8660    10.830	0.031249  *CT
Atom   O      1.1630   -1.5910   -2.9360     9.440	-0.528966 *O 
Atom   CB     0.7130   -1.1200    0.5780    10.560	-0.152267	*CT
Atom   CG     1.9376   -0.3415    0.9362    11.930	0.278406	*CC
Atom   ND1    3.2127   -0.7742    0.6310    12.910	-0.423316	*NB
Atom   CD2    2.0856    0.8494    1.5601    12.240	-0.297563	*CW
Atom   CE1    4.0924    0.1114    1.0588    13.560	0.025960	*CR
Atom   NE2    3.4355    1.1055    1.6303    14.470	-0.097984	*NA
HAtom  HN 						0.281695	*H
HAtom  HA 						0.085175	*H1
HAtom 1HB 						0.054608	*HC
HAtom 2HB 						0.054608	*HC
HAtom  HD2						0.160413	*H4
HAtom  HE1						0.126832	*H5
HAtom  HE2						0.266865	*H
BOND  C   +N			1.3290    !0.0166	490.0    1.335	//checked
Bond  N    CA  	  		1.4584    !0.0197	337.0    1.475		
Bond  CA   C     		1.5229    !0.0204	317.0    1.522
Bond  C    O    		1.2325    !0.0197	570.0    1.229
Bond  CA   CB   		1.5322    !0.0221	310.0    1.526
Bond  CB   CG 			1.4956    !0.0160	317.0    1.504
Bond  CG   ND1   		1.3783    !0.0092	410.0    1.394
Bond  CG   CD2  		1.3537    !0.0089	518.0    1.371
Bond  ND1  CE1   		1.3232    !0.0082	477.0    1.343
Bond  CD2  NE2  		1.3739    !0.0115	427.0    1.381
Bond  CE1  NE2  		1.3208    !0.0077	477.0    1.343
Bond_H  N    HN 					434.0    1.010
Bond_H  CA   HA   					340.0    1.090
Bond_H  CB  1HB   					340.0    1.090
Bond_H  CB  2HB   					340.0    1.090
Bond_H  CD2  HD2					367.0    1.080
Bond_H  CE1  HE1					367.0    1.080
Bond_H  NE2  HE2					434.0    1.010
Angle  O    C   +N              122.7012  !2.2078	80.0      122.90		//checked
Angle  CA   C   +N              116.8151  !2.7893	70.0      116.60		//checked
Angle -C    N    CA             121.3417  !3.4917 	50.0      121.90		//checked
Angle  N    CA   C  		110.9044  !5.2466	63.0      110.10	//error
Angle  CA   C    O    		120.4480  !2.1875	80.0      120.40
Angle  N    CA   CB 		110.2974  !3.1452	80.0      109.70
Angle  C    CA   CB 		109.9254  !3.1484	63.0      111.10
Angle  CA   CB   CG 		113.6357  !2.7114	63.0      113.10
Angle  CB   CG   ND1 		122.6754  !1.4425	70.0      120.00
Angle  CB   CG   CD2  		131.0200  !1.6430	70.0      120.00
Angle  ND1  CG   CD2  		106.1875  !0.7109	70.0      120.00
Angle  CG   ND1  CE1     	109.1877  !1.2199	70.0      117.00
Angle  CG   CD2  NE2  		107.1978  !0.6757	70.0      120.00
Angle  ND1  CE1  NE2  		108.4899  !1.0527	70.0      120.00
Angle  CD2  NE2  CE1  		108.7753  !1.0131	70.0      120.00
Dihedral -CA  -C    N    CA     180.0     !2.0000	////added 
Dihedral  N    CA   CB   CG 
Dihedral  CA   CB   CG   ND1
Improper  ND1  CD2  CG   CB 