FMO DATABASE

FMODB ID: P2LNR

Calculation Name: 4JMP-A-Xray29

Preferred Name:

Target Type:

Ligand Name:

ligand 3-letter code:

PDB ID: 4JMP

Chain ID: A

ChEMBL ID:

UniProt ID: A8YPQ5

Base Structure: X-ray

Registration Date: 2018-09-06

Reference:

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptH
Protonation	MOE:Protonate 3D
Complement	Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE.
Water	Apo structure with with a 3 angstrom solvent shell.
Procedure	Auto-FMO protocol ver. 1.20180227

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Auto
Number of fragment	374
LigandCharge
Software	MIZUHO/ABINIT-MP 3.0

Total energy (hartree)

FMO2-HF: Electronic energy	-3320300.930288
FMO2-HF: Nuclear repulsion	3222923.309855
FMO2-HF: Total energy	-97377.620433
FMO2-MP2: Total energy	-97660.837659

3D Structure

Snapshot

Ligand structure

Ligand Interaction

Ligand binding energy

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
N/A	N/A	N/A	N/A	N/A	N/A

Interactive mode: IFIE and PIEDA for fragment #1(A:200:ACE)

Summations of interaction energy for fragment #1(A:200:ACE)

IFIE [kcal/mol]	PIEDA [kcal/mol]				Charge transfer value [e]
IFIE SUMIFIE SUM at MP2 level.	ESElectro static interaction energy.	EXExchange-repulsion energy.	CT+mixCharge transfer and mixing terms energy.	DI(MP2)Dispersion energy.	q(I=>J)Charge transfer value from I to J fragments.
-0.203	1.398	1.072	-0.958	-1.715	-0.008

Interaction energy analysis for fragmet #1(A:200:ACE)

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.036 / q_NPA : 0.017

Distance from base fragment(s) [Å]

Dist

Interaction energy by IFIE and PIEDA
[kcal/mol]

| Total | > | ES | > | EX | >
| CT+mix | > | DI(MP2) | >

Fragment charge [e]

FCHARGE q_Mulliken
q_NPA q(I=>J)

Residue

Res # RES

Sort

Graph Options

X Axis Label
Y Axis Max Y Axis Min
Display ES EX CT+mix DI(MP2)

frag_NumFragment number.	ChainChain species.	Res #Residue number.	RES3-letter code of amino acid residue, ligand and solvent molecule.	FCHARGEFormal charge [e].	q_MullikenFragment charge evaluated by Mulliken charge [e].	q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e].	DISTDistance from Ligand [Å].	TotalIFIE at MP2 level [kcal/mol].	ESElectro static interaction energy by PIEDA [kcal/mol].	EXExchange-repulsion energy by PIEDA [kcal/mol].	CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol].	DI(MP2)Dispersion energy by PIEDA [kcal/mol].	q(I=>J)Charge transfer value from I to J fragmens [e].
3	A	202	GLU	-1	-0.762	-0.849	3.824	0.041	1.246	-0.014	-0.494	-0.696	-0.001
4	A	203	GLU	-1	-0.857	-0.892	3.965	0.639	0.869	0.000	-0.026	-0.203	0.000
5	A	204	ASP	-1	-0.773	-0.827	4.652	-1.915	-1.852	-0.001	-0.018	-0.044	0.000
6	A	205	VAL	0	-0.050	-0.030	6.424	0.350	0.350	0.000	0.000	0.000	0.000
7	A	206	GLU	-1	-0.886	-0.932	8.507	0.061	0.061	0.000	0.000	0.000	0.000
8	A	207	SER	0	-0.005	-0.002	8.513	0.071	0.071	0.000	0.000	0.000	0.000
9	A	208	GLN	0	-0.053	-0.029	10.366	0.109	0.109	0.000	0.000	0.000	0.000
10	A	209	LEU	0	-0.017	-0.007	12.366	0.054	0.054	0.000	0.000	0.000	0.000
11	A	210	GLY	0	0.026	0.021	13.504	0.048	0.048	0.000	0.000	0.000	0.000
12	A	211	LEU	0	-0.077	-0.044	13.960	0.035	0.035	0.000	0.000	0.000	0.000
13	A	212	PRO	0	0.051	0.038	13.283	-0.031	-0.031	0.000	0.000	0.000	0.000
14	A	213	ILE	0	-0.009	-0.006	9.406	-0.034	-0.034	0.000	0.000	0.000	0.000
15	A	214	LEU	0	-0.016	-0.001	12.675	0.052	0.052	0.000	0.000	0.000	0.000
16	A	215	GLY	0	0.036	0.005	12.596	0.046	0.046	0.000	0.000	0.000	0.000
17	A	216	SER	0	-0.053	-0.028	8.503	-0.110	-0.110	0.000	0.000	0.000	0.000
18	A	217	ILE	0	-0.030	-0.020	11.122	0.066	0.066	0.000	0.000	0.000	0.000
19	A	218	GLN	0	0.011	-0.006	11.252	-0.009	-0.009	0.000	0.000	0.000	0.000
20	A	219	LYS	1	0.890	0.965	13.356	0.229	0.229	0.000	0.000	0.000	0.000
21	A	220	PHE	0	-0.049	-0.013	16.211	0.023	0.023	0.000	0.000	0.000	0.000
22	A	221	NME	0	0.045	0.040	19.463	-0.008	-0.008	0.000	0.000	0.000	0.000
23	A	1008	ACE	0	0.041	0.015	31.784	0.000	0.000	0.000	0.000	0.000	0.000
24	A	1009	SER	0	0.015	-0.001	28.081	-0.002	-0.002	0.000	0.000	0.000	0.000
25	A	1010	SER	0	-0.022	0.006	25.597	-0.005	-0.005	0.000	0.000	0.000	0.000
26	A	1011	LEU	0	0.020	0.028	24.653	-0.006	-0.006	0.000	0.000	0.000	0.000
27	A	1012	ILE	0	0.045	0.024	20.045	0.007	0.007	0.000	0.000	0.000	0.000
28	A	1013	VAL	0	0.007	0.001	22.089	0.008	0.008	0.000	0.000	0.000	0.000
29	A	1014	HIS	0	0.063	0.063	24.378	0.007	0.007	0.000	0.000	0.000	0.000
30	A	1015	GLU	-1	-0.835	-0.905	27.106	-0.021	-0.021	0.000	0.000	0.000	0.000
31	A	1016	GLN	0	-0.045	-0.029	23.700	0.008	0.008	0.000	0.000	0.000	0.000
32	A	1017	PRO	0	0.084	0.066	23.645	0.003	0.003	0.000	0.000	0.000	0.000
33	A	1018	LYS	1	0.956	0.957	23.501	-0.033	-0.033	0.000	0.000	0.000	0.000
34	A	1019	SER	0	-0.017	0.007	20.086	0.009	0.009	0.000	0.000	0.000	0.000
35	A	1020	PRO	0	0.058	0.017	15.455	-0.004	-0.004	0.000	0.000	0.000	0.000
36	A	1021	ILE	0	0.032	0.018	15.379	0.002	0.002	0.000	0.000	0.000	0.000
37	A	1022	SER	0	0.037	0.018	16.966	-0.011	-0.011	0.000	0.000	0.000	0.000
38	A	1023	GLU	-1	-0.877	-0.911	17.381	0.050	0.050	0.000	0.000	0.000	0.000
39	A	1024	LYS	1	0.859	0.936	11.091	-0.069	-0.069	0.000	0.000	0.000	0.000
40	A	1025	PHE	0	0.036	0.010	16.005	-0.014	-0.014	0.000	0.000	0.000	0.000
41	A	1026	ARG	1	0.796	0.903	19.052	-0.020	-0.020	0.000	0.000	0.000	0.000
42	A	1027	GLY	0	0.040	0.024	16.864	0.003	0.003	0.000	0.000	0.000	0.000
43	A	1028	ILE	0	-0.033	-0.008	16.256	-0.003	-0.003	0.000	0.000	0.000	0.000
44	A	1029	ARG	1	0.927	0.971	18.413	-0.008	-0.008	0.000	0.000	0.000	0.000
45	A	1030	SER	0	-0.028	-0.023	20.148	0.000	0.000	0.000	0.000	0.000	0.000
46	A	1031	ASN	0	-0.018	-0.019	15.340	0.013	0.013	0.000	0.000	0.000	0.000
47	A	1032	ILE	0	-0.019	-0.007	19.645	-0.004	-0.004	0.000	0.000	0.000	0.000
48	A	1033	MET	0	-0.077	-0.002	22.358	-0.002	-0.002	0.000	0.000	0.000	0.000
49	A	1034	PHE	0	-0.008	-0.004	22.951	0.003	0.003	0.000	0.000	0.000	0.000
50	A	1035	ALA	0	0.001	0.028	21.541	0.006	0.006	0.000	0.000	0.000	0.000
51	A	1036	ASN	0	-0.100	-0.054	22.966	-0.001	-0.001	0.000	0.000	0.000	0.000
52	A	1037	PRO	0	0.032	0.016	26.053	-0.001	-0.001	0.000	0.000	0.000	0.000
53	A	1038	ASP	-1	-0.893	-0.941	29.051	0.004	0.004	0.000	0.000	0.000	0.000
54	A	1039	SER	0	-0.092	-0.037	27.503	-0.005	-0.005	0.000	0.000	0.000	0.000
55	A	1040	ALA	0	0.044	0.023	29.547	0.003	0.003	0.000	0.000	0.000	0.000
56	A	1041	VAL	0	-0.006	-0.007	26.441	-0.003	-0.003	0.000	0.000	0.000	0.000
57	A	1042	GLN	0	0.012	0.027	29.682	0.002	0.002	0.000	0.000	0.000	0.000
58	A	1043	SER	0	0.005	0.015	30.459	-0.001	-0.001	0.000	0.000	0.000	0.000
59	A	1044	ILE	0	-0.005	-0.003	24.262	-0.002	-0.002	0.000	0.000	0.000	0.000
60	A	1045	VAL	0	0.013	0.018	26.638	0.001	0.001	0.000	0.000	0.000	0.000
61	A	1046	ILE	0	0.002	0.011	22.541	-0.007	-0.007	0.000	0.000	0.000	0.000
62	A	1047	THR	0	0.034	0.009	23.482	0.000	0.000	0.000	0.000	0.000	0.000
63	A	1048	SER	0	-0.010	-0.012	21.160	-0.004	-0.004	0.000	0.000	0.000	0.000
64	A	1049	GLU	-1	-0.719	-0.847	19.077	-0.233	-0.233	0.000	0.000	0.000	0.000
65	A	1050	ALA	0	0.000	0.010	21.589	0.011	0.011	0.000	0.000	0.000	0.000
66	A	1051	PRO	0	0.034	0.013	23.288	-0.002	-0.002	0.000	0.000	0.000	0.000
67	A	1052	GLY	0	0.015	0.002	23.447	-0.013	-0.013	0.000	0.000	0.000	0.000
68	A	1053	ALA	0	0.032	0.023	19.267	-0.013	-0.013	0.000	0.000	0.000	0.000
69	A	1054	GLY	0	-0.020	-0.014	19.222	-0.012	-0.012	0.000	0.000	0.000	0.000
70	A	1055	LYS	1	0.851	0.936	21.507	0.106	0.106	0.000	0.000	0.000	0.000
71	A	1056	SER	0	0.002	-0.012	22.407	0.004	0.004	0.000	0.000	0.000	0.000
72	A	1057	THR	0	0.021	0.017	22.065	0.011	0.011	0.000	0.000	0.000	0.000
73	A	1058	ILE	0	-0.041	-0.013	17.703	0.009	0.009	0.000	0.000	0.000	0.000
74	A	1059	ALA	0	0.033	0.006	21.500	0.010	0.010	0.000	0.000	0.000	0.000
75	A	1060	ALA	0	0.028	0.023	24.593	0.008	0.008	0.000	0.000	0.000	0.000
76	A	1061	ASN	0	-0.047	-0.040	22.334	0.015	0.015	0.000	0.000	0.000	0.000
77	A	1062	LEU	0	0.008	0.012	21.252	0.008	0.008	0.000	0.000	0.000	0.000
78	A	1063	ALA	0	0.041	0.015	23.640	0.008	0.008	0.000	0.000	0.000	0.000
79	A	1064	VAL	0	0.004	0.006	26.389	0.005	0.005	0.000	0.000	0.000	0.000
80	A	1065	ALA	0	-0.016	-0.002	23.467	0.006	0.006	0.000	0.000	0.000	0.000
81	A	1066	TYR	0	0.019	-0.022	24.529	0.005	0.005	0.000	0.000	0.000	0.000
82	A	1067	ALA	0	0.033	0.031	27.816	0.004	0.004	0.000	0.000	0.000	0.000
83	A	1068	GLN	0	0.012	0.001	26.713	0.006	0.006	0.000	0.000	0.000	0.000
84	A	1069	ALA	0	-0.123	-0.052	27.150	0.004	0.004	0.000	0.000	0.000	0.000
85	A	1070	GLY	0	0.028	0.030	29.219	0.003	0.003	0.000	0.000	0.000	0.000
86	A	1071	TYR	0	-0.064	-0.040	28.458	0.000	0.000	0.000	0.000	0.000	0.000
87	A	1072	LYS	1	0.947	0.983	32.837	0.011	0.011	0.000	0.000	0.000	0.000
88	A	1073	THR	0	-0.042	-0.044	29.955	-0.002	-0.002	0.000	0.000	0.000	0.000
89	A	1074	LEU	0	-0.011	0.011	33.312	0.000	0.000	0.000	0.000	0.000	0.000
90	A	1075	ILE	0	-0.062	-0.020	28.364	-0.003	-0.003	0.000	0.000	0.000	0.000
91	A	1076	VAL	0	0.030	0.003	32.094	0.002	0.002	0.000	0.000	0.000	0.000
92	A	1077	ASP	-1	-0.731	-0.871	32.102	-0.065	-0.065	0.000	0.000	0.000	0.000
93	A	1078	GLY	0	0.032	0.012	32.401	0.003	0.003	0.000	0.000	0.000	0.000
94	A	1079	ASP	-1	-0.782	-0.864	30.870	-0.079	-0.079	0.000	0.000	0.000	0.000
95	A	1080	MET	0	0.006	-0.003	33.071	0.003	0.003	0.000	0.000	0.000	0.000
96	A	1081	ARG	1	0.821	0.889	34.155	0.065	0.065	0.000	0.000	0.000	0.000
97	A	1082	LYS	1	0.879	0.933	31.836	0.078	0.078	0.000	0.000	0.000	0.000
98	A	1083	PRO	0	0.080	0.075	32.160	-0.005	-0.005	0.000	0.000	0.000	0.000
99	A	1084	THR	0	-0.059	-0.038	29.592	-0.001	-0.001	0.000	0.000	0.000	0.000
100	A	1085	GLN	0	0.037	-0.001	27.729	0.005	0.005	0.000	0.000	0.000	0.000
101	A	1086	HIS	0	0.059	0.039	32.154	0.002	0.002	0.000	0.000	0.000	0.000
102	A	1087	TYR	0	-0.035	-0.003	32.439	0.003	0.003	0.000	0.000	0.000	0.000
103	A	1088	ILE	0	-0.045	-0.017	27.388	0.002	0.002	0.000	0.000	0.000	0.000
104	A	1089	PHE	0	0.001	-0.008	29.779	0.003	0.003	0.000	0.000	0.000	0.000
105	A	1090	ASN	0	-0.060	-0.015	33.642	0.002	0.002	0.000	0.000	0.000	0.000
106	A	1091	LEU	0	0.025	0.019	36.510	0.003	0.003	0.000	0.000	0.000	0.000
107	A	1092	PRO	0	-0.010	0.003	38.890	-0.002	-0.002	0.000	0.000	0.000	0.000
108	A	1093	ASN	0	0.037	-0.012	38.448	0.001	0.001	0.000	0.000	0.000	0.000
109	A	1094	ASN	0	-0.052	-0.027	41.249	-0.002	-0.002	0.000	0.000	0.000	0.000
110	A	1095	GLU	-1	-0.796	-0.862	43.928	-0.022	-0.022	0.000	0.000	0.000	0.000
111	A	1096	GLY	0	0.046	0.052	40.887	-0.001	-0.001	0.000	0.000	0.000	0.000
112	A	1097	LEU	0	-0.023	-0.016	37.023	0.001	0.001	0.000	0.000	0.000	0.000
113	A	1098	SER	0	-0.004	-0.042	40.644	0.002	0.002	0.000	0.000	0.000	0.000
114	A	1099	SER	0	0.014	-0.017	42.818	0.001	0.001	0.000	0.000	0.000	0.000
115	A	1100	LEU	0	0.007	0.036	42.505	0.002	0.002	0.000	0.000	0.000	0.000
116	A	1101	LEU	0	-0.042	-0.026	41.007	0.001	0.001	0.000	0.000	0.000	0.000
117	A	1102	LEU	0	-0.045	-0.020	45.458	0.001	0.001	0.000	0.000	0.000	0.000
118	A	1103	ASN	0	-0.061	-0.026	48.465	0.001	0.001	0.000	0.000	0.000	0.000
119	A	1104	TRP	0	-0.028	-0.025	48.990	0.001	0.001	0.000	0.000	0.000	0.000
120	A	1105	SER	0	0.021	0.020	46.156	0.000	0.000	0.000	0.000	0.000	0.000
121	A	1106	THR	0	0.015	0.012	48.638	0.000	0.000	0.000	0.000	0.000	0.000
122	A	1107	TYR	0	0.016	0.001	42.424	-0.001	-0.001	0.000	0.000	0.000	0.000
123	A	1108	GLN	0	-0.003	-0.018	45.047	-0.001	-0.001	0.000	0.000	0.000	0.000
124	A	1109	ASP	-1	-0.721	-0.839	46.067	-0.018	-0.018	0.000	0.000	0.000	0.000
125	A	1110	SER	0	-0.042	-0.022	43.214	-0.001	-0.001	0.000	0.000	0.000	0.000
126	A	1111	ILE	0	-0.017	0.008	39.330	-0.003	-0.003	0.000	0.000	0.000	0.000
127	A	1112	ILE	0	0.029	0.019	39.486	0.002	0.002	0.000	0.000	0.000	0.000
128	A	1113	SER	0	-0.021	-0.016	38.773	-0.001	-0.001	0.000	0.000	0.000	0.000
129	A	1114	THR	0	-0.070	-0.034	34.627	0.000	0.000	0.000	0.000	0.000	0.000
130	A	1115	GLU	-1	-0.894	-0.942	37.140	-0.012	-0.012	0.000	0.000	0.000	0.000
131	A	1116	ILE	0	-0.077	-0.026	30.859	0.002	0.002	0.000	0.000	0.000	0.000
132	A	1117	GLU	-1	-0.827	-0.890	34.854	-0.001	-0.001	0.000	0.000	0.000	0.000
133	A	1118	ASP	-1	-0.789	-0.893	34.326	-0.006	-0.006	0.000	0.000	0.000	0.000
134	A	1119	LEU	0	-0.044	-0.011	30.674	-0.002	-0.002	0.000	0.000	0.000	0.000
135	A	1120	ASP	-1	-0.702	-0.792	34.387	-0.017	-0.017	0.000	0.000	0.000	0.000
136	A	1121	VAL	0	-0.023	-0.031	33.474	-0.003	-0.003	0.000	0.000	0.000	0.000
137	A	1122	LEU	0	0.001	0.024	35.776	0.002	0.002	0.000	0.000	0.000	0.000
138	A	1123	THR	0	0.033	0.017	36.116	-0.003	-0.003	0.000	0.000	0.000	0.000
139	A	1124	SER	0	0.019	0.008	36.166	0.001	0.001	0.000	0.000	0.000	0.000
140	A	1125	GLY	0	-0.015	0.015	37.836	0.001	0.001	0.000	0.000	0.000	0.000
141	A	1126	PRO	0	0.006	0.006	40.673	-0.003	-0.003	0.000	0.000	0.000	0.000
142	A	1127	ILE	0	-0.033	0.006	38.527	-0.001	-0.001	0.000	0.000	0.000	0.000
143	A	1128	PRO	0	0.017	0.027	40.307	0.002	0.002	0.000	0.000	0.000	0.000
144	A	1129	PRO	0	-0.008	-0.005	42.188	-0.003	-0.003	0.000	0.000	0.000	0.000
145	A	1130	ASN	0	-0.032	-0.046	43.027	-0.003	-0.003	0.000	0.000	0.000	0.000
146	A	1131	PRO	0	0.056	0.030	37.971	0.001	0.001	0.000	0.000	0.000	0.000
147	A	1132	SER	0	0.049	0.019	38.427	0.002	0.002	0.000	0.000	0.000	0.000
148	A	1133	GLU	-1	-0.897	-0.933	39.551	-0.034	-0.034	0.000	0.000	0.000	0.000
149	A	1134	LEU	0	0.013	0.008	41.394	0.002	0.002	0.000	0.000	0.000	0.000
150	A	1135	ILE	0	-0.001	0.026	35.522	0.002	0.002	0.000	0.000	0.000	0.000
151	A	1136	THR	0	-0.076	-0.037	39.455	0.002	0.002	0.000	0.000	0.000	0.000
152	A	1137	SER	0	0.009	0.015	41.405	0.003	0.003	0.000	0.000	0.000	0.000
153	A	1138	ARG	1	0.967	0.993	43.813	0.022	0.022	0.000	0.000	0.000	0.000
154	A	1139	ALA	0	0.015	0.012	45.818	0.001	0.001	0.000	0.000	0.000	0.000
155	A	1140	PHE	0	0.056	0.031	36.523	0.001	0.001	0.000	0.000	0.000	0.000
156	A	1141	ALA	0	0.005	0.011	41.471	0.000	0.000	0.000	0.000	0.000	0.000
157	A	1142	ASN	0	0.023	0.001	42.539	0.001	0.001	0.000	0.000	0.000	0.000
158	A	1143	LEU	0	0.025	0.017	40.785	0.001	0.001	0.000	0.000	0.000	0.000
159	A	1144	TYR	0	-0.037	-0.028	33.916	0.001	0.001	0.000	0.000	0.000	0.000
160	A	1145	ASP	-1	-0.834	-0.917	39.590	-0.022	-0.022	0.000	0.000	0.000	0.000
161	A	1146	THR	0	-0.010	-0.011	41.943	0.002	0.002	0.000	0.000	0.000	0.000
162	A	1147	LEU	0	-0.052	-0.029	37.317	0.001	0.001	0.000	0.000	0.000	0.000
163	A	1148	LEU	0	-0.007	0.005	35.530	0.001	0.001	0.000	0.000	0.000	0.000
164	A	1149	MET	0	-0.046	-0.012	38.733	0.002	0.002	0.000	0.000	0.000	0.000
165	A	1150	ASN	0	-0.055	-0.017	40.985	0.003	0.003	0.000	0.000	0.000	0.000
166	A	1151	TYR	0	-0.015	-0.009	35.664	0.001	0.001	0.000	0.000	0.000	0.000
167	A	1152	ASN	0	0.037	0.028	34.223	0.001	0.001	0.000	0.000	0.000	0.000
168	A	1153	PHE	0	-0.005	-0.007	26.819	0.000	0.000	0.000	0.000	0.000	0.000
169	A	1154	VAL	0	0.023	0.021	31.781	0.000	0.000	0.000	0.000	0.000	0.000
170	A	1155	ILE	0	-0.011	-0.002	26.358	-0.003	-0.003	0.000	0.000	0.000	0.000
171	A	1156	ILE	0	0.020	0.011	29.363	0.001	0.001	0.000	0.000	0.000	0.000
172	A	1157	ASP	-1	-0.742	-0.854	27.200	-0.090	-0.090	0.000	0.000	0.000	0.000
173	A	1158	THR	0	-0.026	-0.019	27.588	0.004	0.004	0.000	0.000	0.000	0.000
174	A	1159	PRO	0	-0.016	-0.006	27.998	-0.007	-0.007	0.000	0.000	0.000	0.000
175	A	1160	PRO	0	-0.018	0.001	25.119	-0.002	-0.002	0.000	0.000	0.000	0.000
176	A	1161	VAL	0	0.031	0.043	24.254	0.010	0.010	0.000	0.000	0.000	0.000
177	A	1162	ASN	0	0.028	0.052	25.323	0.010	0.010	0.000	0.000	0.000	0.000
178	A	1163	THR	0	-0.054	-0.022	27.171	0.005	0.005	0.000	0.000	0.000	0.000
179	A	1164	VAL	0	0.027	0.011	30.906	0.007	0.007	0.000	0.000	0.000	0.000
180	A	1165	THR	0	0.031	0.017	31.116	-0.004	-0.004	0.000	0.000	0.000	0.000
181	A	1166	ASP	-1	-0.709	-0.828	32.616	-0.061	-0.061	0.000	0.000	0.000	0.000
182	A	1167	ALA	0	0.011	0.006	28.176	0.004	0.004	0.000	0.000	0.000	0.000
183	A	1168	GLN	0	0.022	-0.006	29.481	0.004	0.004	0.000	0.000	0.000	0.000
184	A	1169	LEU	0	-0.050	-0.007	31.316	0.005	0.005	0.000	0.000	0.000	0.000
185	A	1170	PHE	0	0.023	0.001	32.054	0.004	0.004	0.000	0.000	0.000	0.000
186	A	1171	SER	0	-0.033	-0.014	29.778	0.004	0.004	0.000	0.000	0.000	0.000
187	A	1172	LYS	1	0.905	0.971	31.603	0.038	0.038	0.000	0.000	0.000	0.000
188	A	1173	PHE	0	-0.035	-0.016	34.842	0.003	0.003	0.000	0.000	0.000	0.000
189	A	1174	THR	0	0.052	0.027	29.437	0.002	0.002	0.000	0.000	0.000	0.000
190	A	1175	GLY	0	0.038	0.040	31.181	0.003	0.003	0.000	0.000	0.000	0.000
191	A	1176	ASN	0	-0.025	-0.017	26.522	-0.001	-0.001	0.000	0.000	0.000	0.000
192	A	1177	VAL	0	0.007	0.007	23.534	0.000	0.000	0.000	0.000	0.000	0.000
193	A	1178	VAL	0	0.011	0.013	19.522	-0.003	-0.003	0.000	0.000	0.000	0.000
194	A	1179	TYR	0	-0.037	-0.034	18.223	0.002	0.002	0.000	0.000	0.000	0.000
195	A	1180	VAL	0	-0.004	-0.010	17.643	-0.019	-0.019	0.000	0.000	0.000	0.000
196	A	1181	VAL	0	0.021	0.011	14.269	0.005	0.005	0.000	0.000	0.000	0.000
197	A	1182	ASN	0	-0.023	-0.017	14.904	-0.056	-0.056	0.000	0.000	0.000	0.000
198	A	1183	SER	0	0.010	0.007	10.654	-0.031	-0.031	0.000	0.000	0.000	0.000
199	A	1184	GLU	-1	-0.826	-0.912	12.502	-0.330	-0.330	0.000	0.000	0.000	0.000
200	A	1185	ASN	0	-0.109	-0.049	14.875	0.027	0.027	0.000	0.000	0.000	0.000
201	A	1186	ASN	0	0.059	0.010	15.170	-0.103	-0.103	0.000	0.000	0.000	0.000
202	A	1187	ASN	0	0.006	0.017	16.746	-0.004	-0.004	0.000	0.000	0.000	0.000
203	A	1188	LYS	1	0.960	0.959	12.525	0.568	0.568	0.000	0.000	0.000	0.000
204	A	1189	ASP	-1	-0.786	-0.857	17.433	-0.185	-0.185	0.000	0.000	0.000	0.000
205	A	1190	GLU	-1	-0.837	-0.882	20.750	-0.170	-0.170	0.000	0.000	0.000	0.000
206	A	1191	VAL	0	-0.015	-0.001	15.148	0.015	0.015	0.000	0.000	0.000	0.000
207	A	1192	LYS	1	0.865	0.903	17.229	0.249	0.249	0.000	0.000	0.000	0.000
208	A	1193	LYS	1	1.012	1.018	19.394	0.131	0.131	0.000	0.000	0.000	0.000
209	A	1194	GLY	0	0.046	0.007	21.892	0.016	0.016	0.000	0.000	0.000	0.000
210	A	1195	LYS	1	0.863	0.942	17.953	0.176	0.176	0.000	0.000	0.000	0.000
211	A	1196	GLU	-1	-0.954	-0.966	21.294	-0.120	-0.120	0.000	0.000	0.000	0.000
212	A	1197	LEU	0	-0.047	-0.020	24.279	0.014	0.014	0.000	0.000	0.000	0.000
213	A	1198	ILE	0	0.046	0.021	22.239	0.011	0.011	0.000	0.000	0.000	0.000
214	A	1199	GLU	-1	-0.793	-0.869	21.889	-0.103	-0.103	0.000	0.000	0.000	0.000
215	A	1200	ALA	0	-0.038	0.000	25.840	0.010	0.010	0.000	0.000	0.000	0.000
216	A	1201	THR	0	-0.070	-0.037	28.248	0.007	0.007	0.000	0.000	0.000	0.000
217	A	1202	GLY	0	-0.008	0.005	29.308	0.006	0.006	0.000	0.000	0.000	0.000
218	A	1203	ALA	0	-0.022	0.003	28.257	0.005	0.005	0.000	0.000	0.000	0.000
219	A	1204	LYS	1	0.960	0.988	22.619	0.043	0.043	0.000	0.000	0.000	0.000
220	A	1205	LEU	0	-0.025	-0.018	19.584	-0.003	-0.003	0.000	0.000	0.000	0.000
221	A	1206	LEU	0	-0.020	-0.010	21.268	-0.001	-0.001	0.000	0.000	0.000	0.000
222	A	1207	GLY	0	0.058	0.028	17.452	0.010	0.010	0.000	0.000	0.000	0.000
223	A	1208	VAL	0	-0.018	-0.008	13.675	0.000	0.000	0.000	0.000	0.000	0.000
224	A	1209	VAL	0	-0.019	0.001	14.584	0.012	0.012	0.000	0.000	0.000	0.000
225	A	1210	LEU	0	0.047	0.022	8.744	-0.017	-0.017	0.000	0.000	0.000	0.000
226	A	1211	ASN	0	0.034	0.006	12.614	0.034	0.034	0.000	0.000	0.000	0.000
227	A	1212	ARG	1	0.860	0.934	13.657	0.138	0.138	0.000	0.000	0.000	0.000
228	A	1213	MET	0	0.058	0.041	6.435	-0.030	-0.030	0.000	0.000	0.000	0.000
229	A	1214	PRO	0	0.011	0.005	8.104	0.137	0.137	0.000	0.000	0.000	0.000
230	A	1215	LYS	1	0.918	0.953	9.656	0.061	0.061	0.000	0.000	0.000	0.000
231	A	1216	NME	0	0.050	0.038	7.934	-0.041	-0.041	0.000	0.000	0.000	0.000
232	A	1301	HOH	0	-0.011	-0.020	34.819	0.001	0.001	0.000	0.000	0.000	0.000
233	A	1302	HOH	0	0.004	0.003	29.477	0.003	0.003	0.000	0.000	0.000	0.000
234	A	1303	HOH	0	0.031	0.018	43.350	-0.001	-0.001	0.000	0.000	0.000	0.000
235	A	1305	HOH	0	-0.023	-0.023	30.684	-0.002	-0.002	0.000	0.000	0.000	0.000
236	A	1306	HOH	0	-0.057	-0.066	39.868	-0.001	-0.001	0.000	0.000	0.000	0.000
237	A	1307	HOH	0	-0.032	-0.027	14.768	0.009	0.009	0.000	0.000	0.000	0.000
238	A	1308	HOH	0	-0.024	-0.020	34.786	0.001	0.001	0.000	0.000	0.000	0.000
239	A	1309	HOH	0	-0.023	-0.035	29.268	0.002	0.002	0.000	0.000	0.000	0.000
240	A	1310	HOH	0	-0.001	0.003	23.287	0.003	0.003	0.000	0.000	0.000	0.000
241	A	1311	HOH	0	-0.015	-0.017	29.450	0.000	0.000	0.000	0.000	0.000	0.000
242	A	1312	HOH	0	-0.030	-0.018	20.114	-0.004	-0.004	0.000	0.000	0.000	0.000
243	A	1313	HOH	0	-0.025	-0.047	40.327	0.001	0.001	0.000	0.000	0.000	0.000
244	A	1314	HOH	0	-0.066	-0.048	32.659	0.000	0.000	0.000	0.000	0.000	0.000
245	A	1315	HOH	0	-0.013	-0.008	8.957	0.028	0.028	0.000	0.000	0.000	0.000
246	A	1316	HOH	0	-0.022	-0.018	23.539	0.002	0.002	0.000	0.000	0.000	0.000
247	A	1317	HOH	0	-0.066	-0.038	22.856	0.007	0.007	0.000	0.000	0.000	0.000
248	A	1319	HOH	0	-0.014	-0.005	14.647	0.010	0.010	0.000	0.000	0.000	0.000
249	A	1320	HOH	0	-0.039	-0.033	39.207	-0.001	-0.001	0.000	0.000	0.000	0.000
250	A	1322	HOH	0	-0.016	-0.010	19.445	0.004	0.004	0.000	0.000	0.000	0.000
251	A	1324	HOH	0	-0.040	-0.033	14.142	-0.024	-0.024	0.000	0.000	0.000	0.000
252	A	1325	HOH	0	-0.008	-0.031	30.727	0.001	0.001	0.000	0.000	0.000	0.000
253	A	1326	HOH	0	-0.034	-0.029	33.490	0.001	0.001	0.000	0.000	0.000	0.000
254	A	1327	HOH	0	-0.061	-0.033	33.395	0.001	0.001	0.000	0.000	0.000	0.000
255	A	1328	HOH	0	-0.016	-0.028	16.303	-0.002	-0.002	0.000	0.000	0.000	0.000
256	A	1329	HOH	0	-0.039	-0.021	53.941	0.000	0.000	0.000	0.000	0.000	0.000
257	A	1330	HOH	0	-0.012	-0.021	32.698	-0.001	-0.001	0.000	0.000	0.000	0.000
258	A	1331	HOH	0	-0.053	-0.039	41.215	-0.001	-0.001	0.000	0.000	0.000	0.000
259	A	1333	HOH	0	0.002	-0.011	9.405	0.012	0.012	0.000	0.000	0.000	0.000
260	A	1334	HOH	0	-0.027	-0.018	27.106	0.001	0.001	0.000	0.000	0.000	0.000
261	A	1335	HOH	0	-0.003	0.017	37.281	0.000	0.000	0.000	0.000	0.000	0.000
262	A	1336	HOH	0	-0.032	-0.049	6.539	0.058	0.058	0.000	0.000	0.000	0.000
263	A	1337	HOH	0	0.011	0.005	12.689	-0.009	-0.009	0.000	0.000	0.000	0.000
264	A	1338	HOH	0	-0.065	-0.058	18.263	0.002	0.002	0.000	0.000	0.000	0.000
265	A	1339	HOH	0	0.006	0.007	24.177	-0.006	-0.006	0.000	0.000	0.000	0.000
266	A	1341	HOH	0	-0.027	-0.020	27.455	0.001	0.001	0.000	0.000	0.000	0.000
267	A	1342	HOH	0	-0.036	-0.034	35.874	0.001	0.001	0.000	0.000	0.000	0.000
268	A	1343	HOH	0	0.034	0.020	34.885	-0.001	-0.001	0.000	0.000	0.000	0.000
269	A	1344	HOH	0	-0.003	-0.007	29.358	0.002	0.002	0.000	0.000	0.000	0.000
270	A	1345	HOH	0	0.010	0.012	49.697	0.000	0.000	0.000	0.000	0.000	0.000
271	A	1346	HOH	0	-0.043	-0.024	44.404	0.001	0.001	0.000	0.000	0.000	0.000
272	A	1347	HOH	0	0.018	0.015	53.251	0.000	0.000	0.000	0.000	0.000	0.000
273	A	1348	HOH	0	-0.035	-0.041	29.214	-0.003	-0.003	0.000	0.000	0.000	0.000
274	A	1349	HOH	0	0.005	0.006	11.046	-0.004	-0.004	0.000	0.000	0.000	0.000
275	A	1350	HOH	0	-0.034	-0.057	41.115	0.000	0.000	0.000	0.000	0.000	0.000
276	A	1352	HOH	0	-0.012	-0.011	49.192	0.001	0.001	0.000	0.000	0.000	0.000
277	A	1353	HOH	0	-0.016	-0.012	8.062	0.027	0.027	0.000	0.000	0.000	0.000
278	A	1354	HOH	0	-0.013	-0.008	37.899	-0.001	-0.001	0.000	0.000	0.000	0.000
279	A	1355	HOH	0	-0.043	-0.038	33.467	0.001	0.001	0.000	0.000	0.000	0.000
280	A	1356	HOH	0	-0.012	-0.016	27.480	0.002	0.002	0.000	0.000	0.000	0.000
281	A	1357	HOH	0	-0.018	-0.011	35.390	-0.001	-0.001	0.000	0.000	0.000	0.000
282	A	1358	HOH	0	-0.014	-0.022	25.468	0.003	0.003	0.000	0.000	0.000	0.000
283	A	1359	HOH	0	-0.009	-0.017	35.091	0.001	0.001	0.000	0.000	0.000	0.000
284	A	1360	HOH	0	-0.007	-0.007	10.876	0.007	0.007	0.000	0.000	0.000	0.000
285	A	1361	HOH	0	0.009	0.002	41.391	0.000	0.000	0.000	0.000	0.000	0.000
286	A	1362	HOH	0	0.029	0.016	39.113	0.001	0.001	0.000	0.000	0.000	0.000
287	A	1363	HOH	0	0.026	0.021	37.497	-0.001	-0.001	0.000	0.000	0.000	0.000
288	A	1364	HOH	0	-0.039	-0.024	50.246	0.000	0.000	0.000	0.000	0.000	0.000
289	A	1365	HOH	0	-0.058	-0.039	26.189	0.004	0.004	0.000	0.000	0.000	0.000
290	A	1366	HOH	0	-0.004	0.008	12.834	-0.024	-0.024	0.000	0.000	0.000	0.000
291	A	1368	HOH	0	-0.020	-0.026	28.305	0.001	0.001	0.000	0.000	0.000	0.000
292	A	1369	HOH	0	-0.049	-0.046	11.218	-0.045	-0.045	0.000	0.000	0.000	0.000
293	A	1370	HOH	0	0.016	0.006	31.611	0.000	0.000	0.000	0.000	0.000	0.000
294	A	1371	HOH	0	0.002	-0.005	43.539	-0.001	-0.001	0.000	0.000	0.000	0.000
295	A	1372	HOH	0	-0.040	-0.020	22.464	0.000	0.000	0.000	0.000	0.000	0.000
296	A	1373	HOH	0	0.014	0.013	30.971	-0.001	-0.001	0.000	0.000	0.000	0.000
297	A	1374	HOH	0	-0.076	-0.083	38.437	0.001	0.001	0.000	0.000	0.000	0.000
298	A	1375	HOH	0	-0.021	-0.014	39.078	0.001	0.001	0.000	0.000	0.000	0.000
299	A	1376	HOH	0	-0.026	-0.017	12.909	-0.021	-0.021	0.000	0.000	0.000	0.000
300	A	1377	HOH	0	-0.010	-0.004	44.664	0.000	0.000	0.000	0.000	0.000	0.000
301	A	1378	HOH	0	0.000	-0.004	36.764	-0.002	-0.002	0.000	0.000	0.000	0.000
302	A	1379	HOH	0	-0.017	-0.012	36.908	-0.001	-0.001	0.000	0.000	0.000	0.000
303	A	1381	HOH	0	-0.024	-0.022	35.707	0.000	0.000	0.000	0.000	0.000	0.000
304	A	1383	HOH	0	-0.022	-0.021	42.895	-0.001	-0.001	0.000	0.000	0.000	0.000
305	A	1384	HOH	0	-0.003	-0.003	28.273	0.000	0.000	0.000	0.000	0.000	0.000
306	A	1386	HOH	0	-0.009	-0.011	23.145	0.006	0.006	0.000	0.000	0.000	0.000
307	A	1390	HOH	0	-0.034	-0.023	33.547	0.000	0.000	0.000	0.000	0.000	0.000
308	A	1391	HOH	0	-0.005	-0.006	16.778	0.007	0.007	0.000	0.000	0.000	0.000
309	A	1392	HOH	0	0.043	0.022	24.675	-0.003	-0.003	0.000	0.000	0.000	0.000
310	A	1394	HOH	0	-0.030	-0.029	34.138	0.000	0.000	0.000	0.000	0.000	0.000
311	A	1395	HOH	0	-0.032	-0.021	44.523	0.001	0.001	0.000	0.000	0.000	0.000
312	A	1396	HOH	0	0.032	0.013	48.357	0.000	0.000	0.000	0.000	0.000	0.000
313	A	1397	HOH	0	-0.071	-0.053	38.946	0.000	0.000	0.000	0.000	0.000	0.000
314	A	1398	HOH	0	-0.022	-0.021	14.963	0.009	0.009	0.000	0.000	0.000	0.000
315	A	1399	HOH	0	0.006	0.004	18.482	-0.004	-0.004	0.000	0.000	0.000	0.000
316	A	1400	HOH	0	-0.051	-0.029	45.714	0.001	0.001	0.000	0.000	0.000	0.000
317	A	1401	HOH	0	-0.031	-0.035	29.781	-0.001	-0.001	0.000	0.000	0.000	0.000
318	A	1402	HOH	0	0.001	-0.007	40.587	-0.001	-0.001	0.000	0.000	0.000	0.000
319	A	1403	HOH	0	0.032	0.020	40.666	0.000	0.000	0.000	0.000	0.000	0.000
320	A	1404	HOH	0	0.017	0.014	39.282	0.000	0.000	0.000	0.000	0.000	0.000
321	A	1405	HOH	0	-0.053	-0.049	24.597	0.006	0.006	0.000	0.000	0.000	0.000
322	A	1406	HOH	0	0.005	0.015	29.576	0.000	0.000	0.000	0.000	0.000	0.000
323	A	1408	HOH	0	-0.029	-0.025	34.387	0.001	0.001	0.000	0.000	0.000	0.000
324	A	1409	HOH	0	-0.027	-0.018	41.808	0.001	0.001	0.000	0.000	0.000	0.000
325	A	1410	HOH	0	-0.046	-0.044	17.362	0.005	0.005	0.000	0.000	0.000	0.000
326	A	1411	HOH	0	0.012	0.020	36.509	0.001	0.001	0.000	0.000	0.000	0.000
327	A	1412	HOH	0	-0.051	-0.030	29.313	-0.001	-0.001	0.000	0.000	0.000	0.000
328	A	1414	HOH	0	0.021	0.018	47.911	-0.001	-0.001	0.000	0.000	0.000	0.000
329	A	1415	HOH	0	-0.021	-0.020	20.251	-0.007	-0.007	0.000	0.000	0.000	0.000
330	A	1416	HOH	0	-0.037	-0.021	34.599	-0.001	-0.001	0.000	0.000	0.000	0.000
331	A	1417	HOH	0	-0.012	-0.010	31.487	0.000	0.000	0.000	0.000	0.000	0.000
332	A	1418	HOH	0	0.010	0.008	25.589	0.001	0.001	0.000	0.000	0.000	0.000
333	A	1420	HOH	0	-0.058	-0.050	4.406	0.087	0.129	0.000	-0.019	-0.023	0.000
334	A	1424	HOH	0	-0.027	-0.023	37.782	0.000	0.000	0.000	0.000	0.000	0.000
335	A	1427	HOH	0	0.053	0.030	26.449	-0.004	-0.004	0.000	0.000	0.000	0.000
336	A	1430	HOH	0	-0.062	-0.049	6.322	0.221	0.221	0.000	0.000	0.000	0.000
337	A	1431	HOH	0	-0.014	-0.018	24.003	0.001	0.001	0.000	0.000	0.000	0.000
338	A	1435	HOH	0	-0.051	-0.031	36.982	0.001	0.001	0.000	0.000	0.000	0.000
339	A	1436	HOH	0	-0.044	-0.031	39.968	0.000	0.000	0.000	0.000	0.000	0.000
340	A	1438	HOH	0	-0.001	0.000	12.951	-0.012	-0.012	0.000	0.000	0.000	0.000
341	A	1439	HOH	0	0.018	0.004	27.927	0.000	0.000	0.000	0.000	0.000	0.000
342	A	1441	HOH	0	-0.030	-0.018	29.959	0.001	0.001	0.000	0.000	0.000	0.000
343	A	1442	HOH	0	-0.013	-0.008	47.286	0.000	0.000	0.000	0.000	0.000	0.000
344	A	1443	HOH	0	0.042	0.062	35.497	0.001	0.001	0.000	0.000	0.000	0.000
345	A	1447	HOH	0	0.032	0.018	30.721	0.002	0.002	0.000	0.000	0.000	0.000
346	A	1448	HOH	0	-0.017	-0.009	38.948	0.000	0.000	0.000	0.000	0.000	0.000
347	A	1449	HOH	0	-0.020	-0.022	20.790	0.006	0.006	0.000	0.000	0.000	0.000
348	A	1450	HOH	0	-0.045	-0.040	41.400	0.000	0.000	0.000	0.000	0.000	0.000
349	A	1451	HOH	0	-0.027	-0.014	36.767	0.000	0.000	0.000	0.000	0.000	0.000
350	A	1452	HOH	0	-0.024	-0.019	19.639	0.004	0.004	0.000	0.000	0.000	0.000
351	A	1454	HOH	0	0.032	0.018	18.884	-0.005	-0.005	0.000	0.000	0.000	0.000
352	A	1455	HOH	0	-0.022	-0.026	18.559	0.002	0.002	0.000	0.000	0.000	0.000
353	A	1456	HOH	0	-0.027	-0.057	36.727	0.000	0.000	0.000	0.000	0.000	0.000
354	A	1459	HOH	0	-0.002	-0.002	45.348	0.000	0.000	0.000	0.000	0.000	0.000
355	A	1466	HOH	0	-0.032	-0.023	30.060	0.002	0.002	0.000	0.000	0.000	0.000
356	A	1467	HOH	0	-0.044	-0.026	24.359	0.005	0.005	0.000	0.000	0.000	0.000
357	A	1468	HOH	0	-0.053	-0.033	35.834	0.001	0.001	0.000	0.000	0.000	0.000
358	A	1472	HOH	0	-0.048	-0.023	50.945	0.000	0.000	0.000	0.000	0.000	0.000
359	A	1474	HOH	0	0.038	0.029	21.466	-0.008	-0.008	0.000	0.000	0.000	0.000
360	A	1478	HOH	0	0.019	0.014	3.125	-0.269	-0.058	0.030	-0.141	-0.101	0.000
361	A	1485	HOH	0	-0.040	-0.033	25.764	0.002	0.002	0.000	0.000	0.000	0.000
362	A	1488	HOH	0	-0.047	-0.024	43.881	0.001	0.001	0.000	0.000	0.000	0.000
363	A	1489	HOH	0	-0.038	-0.019	15.004	0.015	0.015	0.000	0.000	0.000	0.000
364	A	1490	HOH	0	-0.040	-0.044	25.589	0.000	0.000	0.000	0.000	0.000	0.000
365	A	1492	HOH	0	-0.017	-0.011	40.879	0.001	0.001	0.000	0.000	0.000	0.000
366	A	1493	HOH	0	-0.015	-0.016	25.961	-0.003	-0.003	0.000	0.000	0.000	0.000
367	A	1494	HOH	0	0.049	0.023	43.062	0.000	0.000	0.000	0.000	0.000	0.000
368	A	1495	HOH	0	0.000	-0.003	2.793	-0.217	-0.367	1.057	-0.260	-0.648	-0.007
369	A	1496	HOH	0	-0.050	-0.030	30.457	0.000	0.000	0.000	0.000	0.000	0.000
370	A	1497	HOH	0	0.028	0.024	41.973	0.000	0.000	0.000	0.000	0.000	0.000
371	A	1498	HOH	0	-0.078	-0.053	48.442	0.000	0.000	0.000	0.000	0.000	0.000
372	A	1501	HOH	0	-0.063	-0.046	50.142	0.000	0.000	0.000	0.000	0.000	0.000
373	A	1505	HOH	0	-0.051	-0.040	21.000	-0.003	-0.003	0.000	0.000	0.000	0.000
374	A	1507	HOH	0	-0.014	-0.014	23.333	-0.001	-0.001	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #1(A:200:ACE)