FMO DATABASE

FMODB ID: 1JL1Z

Calculation Name: 5RFS-A-Xray143

Preferred Name:

Target Type:

Ligand Name: 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one

ligand 3-letter code: T84

PDB ID: 5RFS

Chain ID: A

ChEMBL ID:

UniProt ID: P0DTD1

Base Structure: X-ray

Registration Date: 2020-06-22

Reference: K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published

DOI:

IFIE MAP

IFIE Diagram

Modeling method

Optimization	MOE:Amber10:EHT
Restraint	OptHLSideSolv
Protonation	MOE:Protonate 3D
Complement	MOE:Structure Preparation
Water	Selected crystal waters in PDB
Procedure	Manual calculation

FMO calculation

FMO method	FMO2-MP2/6-31G(d)
Fragmentation	Manual
Number of fragment	377
LigandCharge	None
Software	MIZUHO/ABINIT-MP 4.0(SMP)

Total energy (hartree)

FMO2-HF: Electronic energy	-4632776.072305
FMO2-HF: Nuclear repulsion	4505157.942469
FMO2-HF: Total energy	-127618.129836
FMO2-MP2: Total energy	-127975.909997

3D Structure

Snapshot

Ligand structure

T84

Ligand Interaction

Ligand binding energy (frag 1-144,146-304 : frag 305)

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.
-162.8086	-141.5090	32.0275	-12.8110	-40.5161	0.0812

Interactive mode: IFIE and PIEDA for fragment #305(A:405:T84 )

Summations of interaction energy for fragment #305(A:405:T84 )

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.
-181.319	-158.837	36.964	-15.088	-44.352	-0.104

Interaction energy analysis for fragmet #305(A:405:T84 )

Snapshot

IFIE Diagram

Base fragment(s) of PIEDA/IFIE

Single fragment	Multi fragments
	Fragment list

Charge [e] FCHARGE : 0 / q_Mulliken : 0.794 / q_NPA : 0.853

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].
1	A	1	SER	1	0.854	0.914	35.564	7.917	7.917	0.000	0.000	0.000	0.000
2	A	2	GLY	0	0.046	0.036	32.708	-0.024	-0.024	0.000	0.000	0.000	0.000
3	A	3	PHE	0	0.032	0.009	27.336	0.037	0.037	0.000	0.000	0.000	0.000
4	A	4	ARG	1	0.957	0.967	25.259	10.220	10.220	0.000	0.000	0.000	0.000
5	A	5	LYS	1	0.894	0.964	20.026	13.041	13.041	0.000	0.000	0.000	0.000
6	A	6	MET	0	-0.031	-0.002	21.958	-0.061	-0.061	0.000	0.000	0.000	0.000
7	A	7	ALA	0	0.020	0.021	17.839	-0.189	-0.189	0.000	0.000	0.000	0.000
8	A	8	PHE	0	0.011	-0.013	19.469	0.591	0.591	0.000	0.000	0.000	0.000
9	A	9	PRO	0	0.036	0.017	19.609	-0.364	-0.364	0.000	0.000	0.000	0.000
10	A	10	SER	0	0.017	-0.026	16.707	-0.069	-0.069	0.000	0.000	0.000	0.000
11	A	11	GLY	0	0.034	0.031	18.165	-0.374	-0.374	0.000	0.000	0.000	0.000
12	A	12	LYS	1	0.864	0.926	20.138	10.733	10.733	0.000	0.000	0.000	0.000
13	A	13	VAL	0	0.051	0.036	14.352	-0.039	-0.039	0.000	0.000	0.000	0.000
14	A	14	GLU	-1	-0.800	-0.873	15.802	-13.609	-13.609	0.000	0.000	0.000	0.000
15	A	15	GLY	0	-0.029	-0.003	16.823	-0.256	-0.256	0.000	0.000	0.000	0.000
16	A	16	CYS	0	-0.046	-0.013	16.330	0.500	0.500	0.000	0.000	0.000	0.000
17	A	17	MET	0	-0.045	0.021	10.248	-0.647	-0.647	0.000	0.000	0.000	0.000
18	A	18	VAL	0	-0.009	-0.003	13.143	0.975	0.975	0.000	0.000	0.000	0.000
19	A	19	GLN	0	-0.033	-0.016	10.536	-1.814	-1.814	0.000	0.000	0.000	0.000
20	A	20	VAL	0	0.001	-0.010	10.102	1.205	1.205	0.000	0.000	0.000	0.000
21	A	21	THR	0	0.032	0.009	9.690	-1.583	-1.583	0.000	0.000	0.000	0.000
22	A	22	CYS	0	-0.027	0.008	9.986	1.934	1.934	0.000	0.000	0.000	0.000
23	A	23	GLY	0	0.000	0.003	10.334	-1.690	-1.690	0.000	0.000	0.000	0.000
24	A	24	THR	0	0.030	0.003	9.519	1.480	1.480	0.000	0.000	0.000	0.000
25	A	25	THR	0	-0.049	0.009	4.816	-0.308	-0.308	0.000	0.000	0.000	0.000
26	A	26	THR	0	0.011	-0.007	6.639	2.469	2.469	0.000	0.000	0.000	0.000
27	A	27	LEU	0	-0.068	-0.028	3.933	-2.877	-2.384	0.000	-0.065	-0.428	0.000
28	A	28	ASN	0	-0.061	-0.033	5.622	4.325	4.325	0.000	0.000	0.000	0.000
29	A	29	GLY	0	0.040	0.017	8.387	-2.233	-2.233	0.000	0.000	0.000	0.000
30	A	30	LEU	0	-0.003	-0.009	11.424	0.962	0.962	0.000	0.000	0.000	0.000
31	A	31	TRP	0	-0.017	-0.012	13.814	0.043	0.043	0.000	0.000	0.000	0.000
32	A	32	LEU	0	-0.010	-0.001	17.425	0.532	0.532	0.000	0.000	0.000	0.000
33	A	33	ASP	-1	-0.772	-0.870	20.103	-12.225	-12.225	0.000	0.000	0.000	0.000
34	A	34	ASP	-1	-0.860	-0.907	22.677	-12.192	-12.192	0.000	0.000	0.000	0.000
35	A	35	VAL	0	0.024	0.014	18.432	-0.177	-0.177	0.000	0.000	0.000	0.000
36	A	36	VAL	0	-0.008	-0.009	14.182	-0.016	-0.016	0.000	0.000	0.000	0.000
37	A	37	TYR	0	-0.027	-0.017	14.126	-0.632	-0.632	0.000	0.000	0.000	0.000
38	A	38	CYS	0	0.019	0.003	9.481	0.514	0.514	0.000	0.000	0.000	0.000
39	A	39	PRO	0	0.038	0.029	5.737	1.595	1.595	0.000	0.000	0.000	0.000
40	A	40	ARG	1	0.858	0.904	7.342	29.540	29.540	0.000	0.000	0.000	0.000
41	A	41	HIS	0	0.004	-0.004	2.599	-11.273	-6.195	5.279	-2.887	-7.470	-0.037
42	A	42	VAL	0	-0.024	-0.015	4.873	-2.387	-2.213	-0.001	-0.004	-0.168	0.000
43	A	43	ILE	0	-0.025	-0.023	6.672	2.530	2.530	0.000	0.000	0.000	0.000
44	A	44	CYS	0	-0.099	-0.040	4.826	4.591	4.591	0.000	0.000	0.000	0.000
45	A	45	THR	0	0.034	0.010	6.120	-2.835	-2.835	0.000	0.000	0.000	0.000
46	A	46	SER	0	-0.029	-0.052	4.798	-2.792	-2.707	-0.001	-0.013	-0.071	0.000
47	A	47	GLU	-1	-0.847	-0.910	5.858	-29.897	-29.897	0.000	0.000	0.000	0.000
48	A	48	ASP	-1	-0.783	-0.872	7.240	-26.675	-26.675	0.000	0.000	0.000	0.000
49	A	49	MET	0	-0.063	-0.022	2.550	-6.987	-5.664	7.231	-1.545	-7.008	0.000
50	A	50	LEU	0	0.021	0.030	5.034	-0.082	0.209	0.001	-0.027	-0.264	0.000
51	A	51	ASN	0	-0.066	-0.048	7.400	1.277	1.277	0.000	0.000	0.000	0.000
52	A	52	PRO	0	0.032	0.054	6.470	2.372	2.372	0.000	0.000	0.000	0.000
53	A	53	ASN	0	0.013	0.017	9.737	0.115	0.115	0.000	0.000	0.000	0.000
54	A	54	TYR	0	0.022	-0.036	4.935	-0.167	-0.167	0.000	0.000	0.000	0.000
55	A	55	GLU	-1	-0.816	-0.901	11.491	-17.435	-17.435	0.000	0.000	0.000	0.000
56	A	56	ASP	-1	-0.830	-0.923	15.206	-15.672	-15.672	0.000	0.000	0.000	0.000
57	A	57	LEU	0	-0.049	-0.030	9.542	0.683	0.683	0.000	0.000	0.000	0.000
58	A	58	LEU	0	-0.010	-0.007	13.010	0.055	0.055	0.000	0.000	0.000	0.000
59	A	59	ILE	0	0.023	0.036	14.601	0.791	0.791	0.000	0.000	0.000	0.000
60	A	60	ARG	1	0.802	0.907	15.928	16.687	16.687	0.000	0.000	0.000	0.000
61	A	61	LYS	1	0.860	0.961	11.311	23.307	23.307	0.000	0.000	0.000	0.000
62	A	62	SER	0	0.022	0.005	16.796	0.906	0.906	0.000	0.000	0.000	0.000
63	A	63	ASN	0	0.046	0.021	18.277	-1.303	-1.303	0.000	0.000	0.000	0.000
64	A	64	HIS	0	0.056	0.055	18.841	-0.405	-0.405	0.000	0.000	0.000	0.000
65	A	65	ASN	0	-0.037	-0.015	15.760	0.246	0.246	0.000	0.000	0.000	0.000
66	A	66	PHE	0	0.016	0.010	11.900	-1.274	-1.274	0.000	0.000	0.000	0.000
67	A	67	LEU	0	0.010	0.020	14.418	1.212	1.212	0.000	0.000	0.000	0.000
68	A	68	VAL	0	0.029	0.020	14.311	-1.303	-1.303	0.000	0.000	0.000	0.000
69	A	69	GLN	0	-0.030	-0.007	15.168	0.908	0.908	0.000	0.000	0.000	0.000
70	A	70	ALA	0	0.061	0.029	15.596	-0.792	-0.792	0.000	0.000	0.000	0.000
71	A	71	GLY	0	0.039	0.023	17.440	0.746	0.746	0.000	0.000	0.000	0.000
72	A	72	ASN	0	-0.030	-0.022	18.177	-0.462	-0.462	0.000	0.000	0.000	0.000
73	A	73	VAL	0	-0.021	0.001	20.821	0.405	0.405	0.000	0.000	0.000	0.000
74	A	74	GLN	0	-0.022	-0.010	17.559	-0.300	-0.300	0.000	0.000	0.000	0.000
75	A	75	LEU	0	-0.010	-0.011	18.723	0.578	0.578	0.000	0.000	0.000	0.000
76	A	76	ARG	1	0.906	0.955	20.765	10.608	10.608	0.000	0.000	0.000	0.000
77	A	77	VAL	0	-0.004	0.005	17.688	0.122	0.122	0.000	0.000	0.000	0.000
78	A	78	ILE	0	-0.031	-0.027	21.074	0.352	0.352	0.000	0.000	0.000	0.000
79	A	79	GLY	0	-0.005	0.001	21.629	0.537	0.537	0.000	0.000	0.000	0.000
80	A	80	HIS	0	-0.012	-0.008	16.435	-0.896	-0.896	0.000	0.000	0.000	0.000
81	A	81	SER	0	0.006	0.021	17.210	0.749	0.749	0.000	0.000	0.000	0.000
82	A	82	MET	0	0.016	0.032	12.178	-1.966	-1.966	0.000	0.000	0.000	0.000
83	A	83	GLN	0	0.047	0.051	14.205	1.687	1.687	0.000	0.000	0.000	0.000
84	A	84	ASN	0	-0.042	-0.019	12.951	-0.768	-0.768	0.000	0.000	0.000	0.000
85	A	85	CYS	0	-0.013	-0.004	7.585	-0.299	-0.299	0.000	0.000	0.000	0.000
86	A	86	VAL	0	0.024	0.022	8.510	-3.534	-3.534	0.000	0.000	0.000	0.000
87	A	87	LEU	0	-0.043	-0.029	10.702	1.635	1.635	0.000	0.000	0.000	0.000
88	A	88	LYS	1	0.870	0.938	13.043	15.921	15.921	0.000	0.000	0.000	0.000
89	A	89	LEU	0	-0.008	-0.023	13.583	0.557	0.557	0.000	0.000	0.000	0.000
90	A	90	LYS	1	0.838	0.921	17.566	12.340	12.340	0.000	0.000	0.000	0.000
91	A	91	VAL	0	0.015	0.006	19.641	-0.046	-0.046	0.000	0.000	0.000	0.000
92	A	92	ASP	-1	-0.866	-0.931	22.356	-11.120	-11.120	0.000	0.000	0.000	0.000
93	A	93	THR	0	-0.034	-0.015	24.572	0.638	0.638	0.000	0.000	0.000	0.000
94	A	94	ALA	0	0.029	0.001	23.979	-0.548	-0.548	0.000	0.000	0.000	0.000
95	A	95	ASN	0	-0.003	-0.008	19.831	0.794	0.794	0.000	0.000	0.000	0.000
96	A	96	PRO	0	-0.006	0.004	23.263	0.175	0.175	0.000	0.000	0.000	0.000
97	A	97	LYS	1	0.866	0.931	21.422	12.372	12.372	0.000	0.000	0.000	0.000
98	A	98	THR	0	0.038	0.029	22.082	-0.551	-0.551	0.000	0.000	0.000	0.000
99	A	99	PRO	0	-0.051	-0.004	20.924	0.527	0.527	0.000	0.000	0.000	0.000
100	A	100	LYS	1	0.897	0.918	24.009	9.331	9.331	0.000	0.000	0.000	0.000
101	A	101	TYR	0	-0.047	-0.051	20.831	-0.401	-0.401	0.000	0.000	0.000	0.000
102	A	102	LYS	1	0.961	0.976	21.933	11.385	11.385	0.000	0.000	0.000	0.000
103	A	103	PHE	0	0.000	0.013	17.965	-0.539	-0.539	0.000	0.000	0.000	0.000
104	A	104	VAL	0	-0.003	-0.010	19.269	0.615	0.615	0.000	0.000	0.000	0.000
105	A	105	ARG	1	0.840	0.902	14.466	17.593	17.593	0.000	0.000	0.000	0.000
106	A	106	ILE	0	-0.056	-0.026	16.254	0.858	0.858	0.000	0.000	0.000	0.000
107	A	107	GLN	0	0.061	0.021	19.531	-0.609	-0.609	0.000	0.000	0.000	0.000
108	A	108	PRO	0	0.029	0.012	19.558	-0.197	-0.197	0.000	0.000	0.000	0.000
109	A	109	GLY	0	0.029	0.013	20.242	0.772	0.772	0.000	0.000	0.000	0.000
110	A	110	GLN	0	-0.034	-0.015	20.539	0.710	0.710	0.000	0.000	0.000	0.000
111	A	111	THR	0	-0.037	-0.038	18.819	-0.806	-0.806	0.000	0.000	0.000	0.000
112	A	112	PHE	0	0.013	0.011	12.005	0.178	0.178	0.000	0.000	0.000	0.000
113	A	113	SER	0	0.009	0.012	15.887	0.058	0.058	0.000	0.000	0.000	0.000
114	A	114	VAL	0	0.021	0.014	9.157	-0.488	-0.488	0.000	0.000	0.000	0.000
115	A	115	LEU	0	-0.010	0.009	11.625	0.914	0.914	0.000	0.000	0.000	0.000
116	A	116	ALA	0	0.057	0.050	8.086	-1.285	-1.285	0.000	0.000	0.000	0.000
117	A	117	CYS	0	-0.048	-0.004	7.599	2.186	2.186	0.000	0.000	0.000	0.000
118	A	118	TYR	0	0.074	0.042	5.507	-2.605	-2.605	0.000	0.000	0.000	0.000
119	A	119	ASN	0	-0.008	-0.008	7.912	0.774	0.774	0.000	0.000	0.000	0.000
120	A	120	GLY	0	0.064	0.031	9.649	1.059	1.059	0.000	0.000	0.000	0.000
121	A	121	SER	0	-0.056	-0.013	11.488	1.407	1.407	0.000	0.000	0.000	0.000
122	A	122	PRO	0	0.015	-0.013	11.566	-0.816	-0.816	0.000	0.000	0.000	0.000
123	A	123	SER	0	-0.072	-0.034	10.461	0.329	0.329	0.000	0.000	0.000	0.000
124	A	124	GLY	0	0.023	0.002	12.364	0.807	0.807	0.000	0.000	0.000	0.000
125	A	125	VAL	0	-0.023	-0.010	12.669	-0.897	-0.897	0.000	0.000	0.000	0.000
126	A	126	TYR	0	-0.005	-0.005	8.482	0.524	0.524	0.000	0.000	0.000	0.000
127	A	127	GLN	0	0.006	0.011	14.769	-0.790	-0.790	0.000	0.000	0.000	0.000
128	A	128	CYS	0	-0.035	-0.005	12.837	-0.653	-0.653	0.000	0.000	0.000	0.000
129	A	129	ALA	0	0.038	0.012	15.490	0.951	0.951	0.000	0.000	0.000	0.000
130	A	130	MET	0	-0.022	0.032	13.388	-1.271	-1.271	0.000	0.000	0.000	0.000
131	A	131	ARG	1	0.720	0.808	15.342	16.211	16.211	0.000	0.000	0.000	0.000
132	A	132	PRO	0	0.029	0.002	17.637	-0.439	-0.439	0.000	0.000	0.000	0.000
133	A	133	ASN	0	-0.025	0.025	15.886	-0.495	-0.495	0.000	0.000	0.000	0.000
134	A	134	PHE	0	0.027	-0.005	13.915	-0.983	-0.983	0.000	0.000	0.000	0.000
135	A	135	THR	0	-0.023	-0.015	11.386	-1.716	-1.716	0.000	0.000	0.000	0.000
136	A	136	ILE	0	-0.002	0.000	9.392	1.680	1.680	0.000	0.000	0.000	0.000
137	A	137	LYS	1	0.885	0.924	10.967	14.576	14.576	0.000	0.000	0.000	0.000
138	A	138	GLY	0	0.019	0.009	9.129	1.302	1.302	0.000	0.000	0.000	0.000
139	A	139	SER	0	-0.045	-0.029	9.025	0.430	0.430	0.000	0.000	0.000	0.000
140	A	140	PHE	0	-0.009	-0.012	3.867	0.320	0.499	0.002	-0.058	-0.123	0.000
141	A	141	LEU	0	0.067	0.051	5.358	-2.054	-1.950	-0.001	-0.020	-0.083	0.000
142	A	142	ASN	0	0.039	0.013	2.462	-14.449	-11.202	1.843	-1.922	-3.168	-0.007
143	A	143	GLY	0	0.044	0.021	1.916	-2.867	-5.210	7.557	-2.465	-2.749	0.029
144	A	144	SER	0	-0.013	-0.022	2.645	-6.224	-3.259	0.992	-1.561	-2.396	-0.013
146	A	146	GLY	0	0.048	0.019	3.006	6.205	4.720	0.271	2.040	-0.827	-0.001
147	A	147	SER	0	-0.036	-0.015	5.574	3.941	3.941	0.000	0.000	0.000	0.000
148	A	148	VAL	0	-0.016	-0.019	7.393	-2.019	-2.019	0.000	0.000	0.000	0.000
149	A	149	GLY	0	-0.035	-0.031	10.400	0.621	0.621	0.000	0.000	0.000	0.000
150	A	150	PHE	0	-0.024	-0.035	12.837	0.249	0.249	0.000	0.000	0.000	0.000
151	A	151	ASN	0	0.012	-0.009	16.505	0.456	0.456	0.000	0.000	0.000	0.000
152	A	152	ILE	0	-0.047	-0.016	20.105	-0.167	-0.167	0.000	0.000	0.000	0.000
153	A	153	ASP	-1	-0.953	-0.961	22.862	-9.923	-9.923	0.000	0.000	0.000	0.000
154	A	154	TYR	0	0.075	0.038	26.517	0.115	0.115	0.000	0.000	0.000	0.000
155	A	155	ASP	-1	-0.849	-0.915	27.165	-9.868	-9.868	0.000	0.000	0.000	0.000
156	A	156	CYS	0	0.016	0.020	24.390	-0.277	-0.277	0.000	0.000	0.000	0.000
157	A	157	VAL	0	0.012	0.020	18.522	0.001	0.001	0.000	0.000	0.000	0.000
158	A	158	SER	0	-0.012	-0.015	20.638	0.020	0.020	0.000	0.000	0.000	0.000
159	A	159	PHE	0	0.044	0.013	14.986	-0.287	-0.287	0.000	0.000	0.000	0.000
160	A	160	CYS	0	0.028	0.021	15.211	0.429	0.429	0.000	0.000	0.000	0.000
161	A	161	TYR	0	-0.043	0.008	7.014	0.045	0.045	0.000	0.000	0.000	0.000
162	A	162	MET	0	0.039	0.050	8.212	0.350	0.350	0.000	0.000	0.000	0.000
163	A	163	HIS	0	-0.003	0.009	2.679	-2.121	-1.039	0.794	-0.674	-1.202	-0.005
164	A	164	HIS	0	0.012	-0.013	4.153	-7.004	-6.561	0.000	-0.093	-0.349	0.000
165	A	165	MET	0	-0.037	-0.031	2.360	-30.133	-24.593	4.005	-3.120	-6.425	-0.028
166	A	166	GLU	-1	-0.882	-0.910	3.396	-26.542	-26.170	0.009	0.201	-0.582	0.000
167	A	167	LEU	0	0.006	0.015	5.358	-2.763	-2.587	-0.001	-0.002	-0.172	0.000
168	A	168	PRO	0	0.021	0.001	7.479	0.934	0.934	0.000	0.000	0.000	0.000
169	A	169	THR	0	-0.014	-0.011	9.787	1.116	1.116	0.000	0.000	0.000	0.000
170	A	170	GLY	0	-0.002	0.006	9.619	1.665	1.665	0.000	0.000	0.000	0.000
171	A	171	VAL	0	-0.034	-0.002	10.170	0.995	0.995	0.000	0.000	0.000	0.000
172	A	172	HIS	0	-0.048	-0.035	5.499	-2.030	-2.030	0.000	0.000	0.000	0.000
173	A	173	ALA	0	0.054	0.021	6.695	3.686	3.686	0.000	0.000	0.000	0.000
174	A	174	GLY	0	0.038	0.000	6.631	-6.552	-6.552	0.000	0.000	0.000	0.000
175	A	175	THR	0	-0.062	-0.017	8.449	1.483	1.483	0.000	0.000	0.000	0.000
176	A	176	ASP	-1	-0.715	-0.835	11.004	-19.014	-19.014	0.000	0.000	0.000	0.000
177	A	177	LEU	0	-0.014	-0.017	13.229	-1.692	-1.692	0.000	0.000	0.000	0.000
178	A	178	GLU	-1	-0.905	-0.919	15.438	-14.675	-14.675	0.000	0.000	0.000	0.000
179	A	179	GLY	0	0.017	0.012	11.617	0.140	0.140	0.000	0.000	0.000	0.000
180	A	180	ASN	0	-0.020	-0.020	11.272	-0.693	-0.693	0.000	0.000	0.000	0.000
181	A	181	PHE	0	0.012	-0.002	4.886	-0.177	-0.177	0.000	0.000	0.000	0.000
182	A	182	TYR	0	-0.051	-0.010	10.781	2.978	2.978	0.000	0.000	0.000	0.000
183	A	183	GLY	0	0.030	0.002	11.340	-1.510	-1.510	0.000	0.000	0.000	0.000
184	A	184	PRO	0	-0.032	-0.014	11.753	-0.197	-0.197	0.000	0.000	0.000	0.000
185	A	185	PHE	0	-0.040	-0.005	6.691	-0.216	-0.216	0.000	0.000	0.000	0.000
186	A	186	VAL	0	0.061	0.025	5.960	1.464	1.464	0.000	0.000	0.000	0.000
187	A	187	ASP	-1	-0.712	-0.783	2.621	-40.975	-40.172	0.277	-0.332	-0.748	-0.001
188	A	188	ARG	1	0.896	0.942	3.025	25.799	26.912	0.278	-0.246	-1.144	-0.002
189	A	189	GLN	0	-0.009	-0.023	2.871	-14.976	-11.629	3.345	-2.101	-4.590	-0.015
190	A	190	THR	0	-0.027	-0.016	3.670	5.887	4.130	0.151	2.086	-0.481	-0.001
191	A	191	ALA	0	-0.010	0.000	6.956	-1.491	-1.491	0.000	0.000	0.000	0.000
192	A	192	GLN	0	0.006	-0.003	4.423	2.968	3.038	-0.001	-0.001	-0.068	0.000
193	A	193	ALA	0	0.021	0.020	9.295	-0.945	-0.945	0.000	0.000	0.000	0.000
194	A	194	ALA	0	0.034	0.021	12.381	0.050	0.050	0.000	0.000	0.000	0.000
195	A	195	GLY	0	0.011	0.012	13.600	0.842	0.842	0.000	0.000	0.000	0.000
196	A	196	THR	0	0.009	-0.013	17.061	-0.550	-0.550	0.000	0.000	0.000	0.000
197	A	197	ASP	-1	-0.816	-0.879	18.526	-16.076	-16.076	0.000	0.000	0.000	0.000
198	A	198	THR	0	-0.026	-0.036	20.103	0.231	0.231	0.000	0.000	0.000	0.000
199	A	199	THR	0	-0.020	-0.010	22.331	-0.431	-0.431	0.000	0.000	0.000	0.000
200	A	200	ILE	0	-0.015	-0.001	20.493	0.366	0.366	0.000	0.000	0.000	0.000
201	A	201	THR	0	0.004	-0.035	25.034	0.123	0.123	0.000	0.000	0.000	0.000
202	A	202	VAL	0	0.022	0.014	27.491	0.279	0.279	0.000	0.000	0.000	0.000
203	A	203	ASN	0	0.007	-0.012	23.112	0.606	0.606	0.000	0.000	0.000	0.000
204	A	204	VAL	0	-0.011	0.018	27.021	0.185	0.185	0.000	0.000	0.000	0.000
205	A	205	LEU	0	0.000	-0.002	28.723	0.268	0.268	0.000	0.000	0.000	0.000
206	A	206	ALA	0	0.022	0.019	29.032	0.287	0.287	0.000	0.000	0.000	0.000
207	A	207	TRP	0	-0.031	-0.021	27.930	0.251	0.251	0.000	0.000	0.000	0.000
208	A	208	LEU	0	0.010	0.008	30.044	0.202	0.202	0.000	0.000	0.000	0.000
209	A	209	TYR	0	-0.019	-0.038	33.409	0.211	0.211	0.000	0.000	0.000	0.000
210	A	210	ALA	0	0.038	0.023	31.155	0.226	0.226	0.000	0.000	0.000	0.000
211	A	211	ALA	0	0.013	0.003	33.125	0.162	0.162	0.000	0.000	0.000	0.000
212	A	212	VAL	0	-0.001	0.012	34.498	0.227	0.227	0.000	0.000	0.000	0.000
213	A	213	ILE	0	-0.010	-0.008	35.258	0.238	0.238	0.000	0.000	0.000	0.000
214	A	214	ASN	0	-0.087	-0.056	33.775	0.202	0.202	0.000	0.000	0.000	0.000
215	A	215	GLY	0	-0.037	-0.012	36.830	0.024	0.024	0.000	0.000	0.000	0.000
216	A	216	ASP	-1	-0.836	-0.904	34.885	-8.090	-8.090	0.000	0.000	0.000	0.000
217	A	217	ARG	1	0.863	0.898	37.852	7.075	7.075	0.000	0.000	0.000	0.000
218	A	218	TRP	0	-0.022	-0.011	35.614	0.163	0.163	0.000	0.000	0.000	0.000
219	A	219	PHE	0	0.027	0.014	36.269	0.091	0.091	0.000	0.000	0.000	0.000
220	A	220	LEU	0	-0.011	0.004	39.594	-0.030	-0.030	0.000	0.000	0.000	0.000
221	A	221	ASN	0	0.002	0.007	41.758	0.212	0.212	0.000	0.000	0.000	0.000
222	A	222	ARG	1	0.935	0.962	44.353	6.067	6.067	0.000	0.000	0.000	0.000
223	A	223	PHE	0	-0.017	0.005	43.851	0.188	0.188	0.000	0.000	0.000	0.000
224	A	224	THR	0	0.030	-0.014	43.962	-0.108	-0.108	0.000	0.000	0.000	0.000
225	A	225	THR	0	-0.038	-0.042	40.012	-0.024	-0.024	0.000	0.000	0.000	0.000
226	A	226	THR	0	0.024	0.017	42.598	0.059	0.059	0.000	0.000	0.000	0.000
227	A	227	LEU	0	0.080	0.035	37.038	-0.109	-0.109	0.000	0.000	0.000	0.000
228	A	228	ASN	0	0.000	0.002	38.279	-0.064	-0.064	0.000	0.000	0.000	0.000
229	A	229	ASP	-1	-0.813	-0.865	39.192	-7.547	-7.547	0.000	0.000	0.000	0.000
230	A	230	PHE	0	0.036	0.014	33.246	-0.126	-0.126	0.000	0.000	0.000	0.000
231	A	231	ASN	0	0.029	0.007	34.689	-0.349	-0.349	0.000	0.000	0.000	0.000
232	A	232	LEU	0	-0.029	0.009	34.695	-0.219	-0.219	0.000	0.000	0.000	0.000
233	A	233	VAL	0	-0.017	-0.013	35.476	-0.136	-0.136	0.000	0.000	0.000	0.000
234	A	234	ALA	0	0.013	-0.005	31.690	-0.199	-0.199	0.000	0.000	0.000	0.000
235	A	235	MET	0	0.006	0.005	30.989	-0.425	-0.425	0.000	0.000	0.000	0.000
236	A	236	LYS	1	0.850	0.934	30.747	8.457	8.457	0.000	0.000	0.000	0.000
237	A	237	TYR	0	-0.051	-0.049	30.687	0.015	0.015	0.000	0.000	0.000	0.000
238	A	238	ASN	0	-0.046	-0.011	25.615	-0.518	-0.518	0.000	0.000	0.000	0.000
239	A	239	TYR	0	0.054	0.036	26.525	-0.466	-0.466	0.000	0.000	0.000	0.000
240	A	240	GLU	-1	-0.854	-0.891	24.851	-12.072	-12.072	0.000	0.000	0.000	0.000
241	A	241	PRO	0	-0.019	0.005	27.952	0.336	0.336	0.000	0.000	0.000	0.000
242	A	242	LEU	0	-0.026	-0.010	30.779	-0.204	-0.204	0.000	0.000	0.000	0.000
243	A	243	THR	0	0.042	-0.001	31.927	0.285	0.285	0.000	0.000	0.000	0.000
244	A	244	GLN	0	0.006	-0.030	34.573	0.046	0.046	0.000	0.000	0.000	0.000
245	A	245	ASP	-1	-0.864	-0.919	33.071	-8.990	-8.990	0.000	0.000	0.000	0.000
246	A	246	HIS	0	-0.004	-0.001	28.775	0.213	0.213	0.000	0.000	0.000	0.000
247	A	247	VAL	0	-0.029	-0.015	33.103	0.010	0.010	0.000	0.000	0.000	0.000
248	A	248	ASP	-1	-0.827	-0.904	36.605	-7.867	-7.867	0.000	0.000	0.000	0.000
249	A	249	ILE	0	-0.051	-0.024	30.455	0.074	0.074	0.000	0.000	0.000	0.000
250	A	250	LEU	0	-0.040	-0.020	32.023	-0.051	-0.051	0.000	0.000	0.000	0.000
251	A	251	GLY	0	0.041	0.033	35.137	0.163	0.163	0.000	0.000	0.000	0.000
252	A	252	PRO	0	-0.004	-0.012	35.981	0.190	0.190	0.000	0.000	0.000	0.000
253	A	253	LEU	0	0.016	0.020	32.375	0.129	0.129	0.000	0.000	0.000	0.000
254	A	254	SER	0	-0.041	-0.018	37.082	0.186	0.186	0.000	0.000	0.000	0.000
255	A	255	ALA	0	-0.023	-0.013	40.032	0.179	0.179	0.000	0.000	0.000	0.000
256	A	256	GLN	0	-0.025	-0.002	37.600	0.028	0.028	0.000	0.000	0.000	0.000
257	A	257	THR	0	-0.060	-0.056	38.650	0.128	0.128	0.000	0.000	0.000	0.000
258	A	258	GLY	0	0.025	0.029	41.687	0.126	0.126	0.000	0.000	0.000	0.000
259	A	259	ILE	0	-0.032	0.005	40.684	0.124	0.124	0.000	0.000	0.000	0.000
260	A	260	ALA	0	0.075	0.057	41.188	-0.206	-0.206	0.000	0.000	0.000	0.000
261	A	261	VAL	0	0.056	0.024	36.846	-0.061	-0.061	0.000	0.000	0.000	0.000
262	A	262	LEU	0	-0.007	-0.010	38.857	-0.155	-0.155	0.000	0.000	0.000	0.000
263	A	263	ASP	-1	-0.756	-0.837	41.032	-6.873	-6.873	0.000	0.000	0.000	0.000
264	A	264	MET	0	-0.028	0.014	36.189	-0.024	-0.024	0.000	0.000	0.000	0.000
265	A	265	CYS	0	-0.049	-0.029	36.605	-0.226	-0.226	0.000	0.000	0.000	0.000
266	A	266	ALA	0	0.018	0.020	37.676	-0.121	-0.121	0.000	0.000	0.000	0.000
267	A	267	SER	0	0.001	-0.005	38.341	0.066	0.066	0.000	0.000	0.000	0.000
268	A	268	LEU	0	-0.012	-0.007	31.661	-0.060	-0.060	0.000	0.000	0.000	0.000
269	A	269	LYS	1	0.880	0.931	35.374	7.259	7.259	0.000	0.000	0.000	0.000
270	A	270	GLU	-1	-0.891	-0.957	37.472	-7.437	-7.437	0.000	0.000	0.000	0.000
271	A	271	LEU	0	-0.012	0.001	34.156	-0.012	-0.012	0.000	0.000	0.000	0.000
272	A	272	LEU	0	-0.049	-0.013	30.981	-0.140	-0.140	0.000	0.000	0.000	0.000
273	A	273	GLN	0	-0.029	-0.006	34.450	0.024	0.024	0.000	0.000	0.000	0.000
274	A	274	ASN	0	-0.070	-0.038	37.721	0.183	0.183	0.000	0.000	0.000	0.000
275	A	275	GLY	0	0.012	0.019	34.455	0.039	0.039	0.000	0.000	0.000	0.000
276	A	276	MET	0	-0.021	-0.013	31.294	0.250	0.250	0.000	0.000	0.000	0.000
277	A	277	ASN	0	-0.017	-0.002	35.455	0.246	0.246	0.000	0.000	0.000	0.000
278	A	278	GLY	0	0.026	0.016	35.244	0.193	0.193	0.000	0.000	0.000	0.000
279	A	279	ARG	1	0.833	0.928	36.229	7.652	7.652	0.000	0.000	0.000	0.000
280	A	280	THR	0	0.008	-0.008	31.885	-0.144	-0.144	0.000	0.000	0.000	0.000
281	A	281	ILE	0	-0.014	0.007	31.959	0.308	0.308	0.000	0.000	0.000	0.000
282	A	282	LEU	0	0.000	0.014	30.139	-0.320	-0.320	0.000	0.000	0.000	0.000
283	A	283	GLY	0	-0.033	-0.008	29.357	-0.320	-0.320	0.000	0.000	0.000	0.000
284	A	284	SER	0	-0.014	-0.017	25.914	-0.216	-0.216	0.000	0.000	0.000	0.000
285	A	285	ALA	0	0.012	-0.009	28.208	0.377	0.377	0.000	0.000	0.000	0.000
286	A	286	LEU	0	-0.058	-0.015	23.573	0.078	0.078	0.000	0.000	0.000	0.000
287	A	287	LEU	0	0.000	-0.015	27.913	0.141	0.141	0.000	0.000	0.000	0.000
288	A	288	GLU	-1	-0.767	-0.820	23.321	-12.377	-12.377	0.000	0.000	0.000	0.000
289	A	289	ASP	-1	-0.727	-0.818	21.945	-12.882	-12.882	0.000	0.000	0.000	0.000
290	A	290	GLU	-1	-0.785	-0.864	17.569	-16.118	-16.118	0.000	0.000	0.000	0.000
291	A	291	PHE	0	-0.045	-0.017	21.706	-0.218	-0.218	0.000	0.000	0.000	0.000
292	A	292	THR	0	0.012	0.016	23.418	0.382	0.382	0.000	0.000	0.000	0.000
293	A	293	PRO	0	0.054	0.004	26.051	0.190	0.190	0.000	0.000	0.000	0.000
294	A	294	PHE	0	0.017	0.014	26.997	0.225	0.225	0.000	0.000	0.000	0.000
295	A	295	ASP	-1	-0.718	-0.781	23.387	-11.925	-11.925	0.000	0.000	0.000	0.000
296	A	296	VAL	0	-0.006	-0.004	26.625	0.141	0.141	0.000	0.000	0.000	0.000
297	A	297	VAL	0	0.032	0.023	29.650	0.236	0.236	0.000	0.000	0.000	0.000
298	A	298	ARG	1	0.940	0.964	24.432	11.177	11.177	0.000	0.000	0.000	0.000
299	A	299	GLN	0	-0.017	-0.027	26.014	0.393	0.393	0.000	0.000	0.000	0.000
300	A	300	CYS	0	-0.082	-0.044	29.665	0.208	0.208	0.000	0.000	0.000	0.000
301	A	301	SER	0	-0.023	-0.001	32.932	0.190	0.190	0.000	0.000	0.000	0.000
302	A	302	GLY	0	-0.044	-0.005	31.901	0.192	0.192	0.000	0.000	0.000	0.000
303	A	303	VAL	0	-0.052	-0.027	29.506	0.121	0.121	0.000	0.000	0.000	0.000
304	A	304	THR	-1	-0.887	-0.927	28.947	-9.696	-9.696	0.000	0.000	0.000	0.000
306	A	501	HOH	0	-0.009	-0.034	21.785	-0.028	-0.028	0.000	0.000	0.000	0.000
307	A	502	HOH	0	-0.015	-0.014	5.870	-0.623	-0.623	0.000	0.000	0.000	0.000
308	A	509	HOH	0	-0.061	-0.058	21.004	0.121	0.121	0.000	0.000	0.000	0.000
309	A	516	HOH	0	-0.014	-0.009	40.242	0.036	0.036	0.000	0.000	0.000	0.000
310	A	524	HOH	0	-0.012	-0.025	18.456	0.405	0.405	0.000	0.000	0.000	0.000
311	A	529	HOH	0	-0.063	-0.043	20.177	0.333	0.333	0.000	0.000	0.000	0.000
312	A	531	HOH	0	0.002	-0.009	17.880	0.085	0.085	0.000	0.000	0.000	0.000
313	A	541	HOH	0	0.012	0.022	35.403	-0.010	-0.010	0.000	0.000	0.000	0.000
314	A	545	HOH	0	-0.021	-0.016	12.869	-0.112	-0.112	0.000	0.000	0.000	0.000
315	A	549	HOH	0	-0.008	-0.028	10.307	-0.424	-0.424	0.000	0.000	0.000	0.000
316	A	550	HOH	0	-0.004	-0.018	45.543	-0.026	-0.026	0.000	0.000	0.000	0.000
317	A	553	HOH	0	-0.049	-0.039	45.086	0.029	0.029	0.000	0.000	0.000	0.000
318	A	555	HOH	0	-0.030	-0.022	10.168	0.351	0.351	0.000	0.000	0.000	0.000
319	A	556	HOH	0	-0.022	-0.022	17.896	0.389	0.389	0.000	0.000	0.000	0.000
320	A	562	HOH	0	0.025	-0.003	22.968	-0.120	-0.120	0.000	0.000	0.000	0.000
321	A	568	HOH	0	-0.055	-0.048	17.210	0.147	0.147	0.000	0.000	0.000	0.000
322	A	570	HOH	0	0.000	-0.003	48.606	0.014	0.014	0.000	0.000	0.000	0.000
323	A	571	HOH	0	-0.037	-0.029	22.398	0.050	0.050	0.000	0.000	0.000	0.000
324	A	573	HOH	0	-0.021	-0.029	22.677	0.105	0.105	0.000	0.000	0.000	0.000
325	A	578	HOH	0	-0.028	-0.015	37.991	0.012	0.012	0.000	0.000	0.000	0.000
326	A	583	HOH	0	-0.028	-0.016	9.128	-0.043	-0.043	0.000	0.000	0.000	0.000
327	A	584	HOH	0	0.011	0.002	19.042	-0.156	-0.156	0.000	0.000	0.000	0.000
328	A	585	HOH	0	0.005	-0.006	20.904	0.203	0.203	0.000	0.000	0.000	0.000
329	A	591	HOH	0	-0.012	-0.017	48.200	-0.050	-0.050	0.000	0.000	0.000	0.000
330	A	592	HOH	0	-0.021	-0.019	21.144	0.045	0.045	0.000	0.000	0.000	0.000
331	A	594	HOH	0	0.001	-0.013	17.860	-0.355	-0.355	0.000	0.000	0.000	0.000
332	A	596	HOH	0	-0.006	-0.014	13.629	0.325	0.325	0.000	0.000	0.000	0.000
333	A	598	HOH	0	0.013	0.005	26.156	0.055	0.055	0.000	0.000	0.000	0.000
334	A	600	HOH	0	-0.010	-0.022	16.816	0.024	0.024	0.000	0.000	0.000	0.000
335	A	602	HOH	0	-0.027	-0.052	25.833	-0.159	-0.159	0.000	0.000	0.000	0.000
336	A	604	HOH	0	-0.023	-0.035	21.815	-0.030	-0.030	0.000	0.000	0.000	0.000
337	A	608	HOH	0	-0.017	-0.017	25.650	0.179	0.179	0.000	0.000	0.000	0.000
338	A	609	HOH	0	-0.015	-0.025	10.429	-1.069	-1.069	0.000	0.000	0.000	0.000
339	A	610	HOH	0	-0.088	-0.061	26.743	-0.122	-0.122	0.000	0.000	0.000	0.000
340	A	617	HOH	0	0.004	0.000	4.231	-5.082	-4.910	0.001	-0.049	-0.124	0.000
341	A	619	HOH	0	-0.039	-0.052	15.134	-0.481	-0.481	0.000	0.000	0.000	0.000
342	A	620	HOH	0	-0.039	-0.026	24.414	0.224	0.224	0.000	0.000	0.000	0.000
343	A	621	HOH	0	-0.004	-0.013	22.226	0.214	0.214	0.000	0.000	0.000	0.000
344	A	626	HOH	0	-0.002	-0.010	13.067	0.467	0.467	0.000	0.000	0.000	0.000
345	A	630	HOH	0	-0.004	-0.010	27.097	-0.027	-0.027	0.000	0.000	0.000	0.000
346	A	637	HOH	0	0.029	0.017	43.168	-0.042	-0.042	0.000	0.000	0.000	0.000
347	A	639	HOH	0	-0.013	-0.010	24.400	0.112	0.112	0.000	0.000	0.000	0.000
348	A	642	HOH	0	-0.008	-0.004	21.444	-0.236	-0.236	0.000	0.000	0.000	0.000
349	A	643	HOH	0	-0.005	-0.013	18.992	0.102	0.102	0.000	0.000	0.000	0.000
350	A	644	HOH	0	-0.070	-0.045	20.279	0.214	0.214	0.000	0.000	0.000	0.000
351	A	645	HOH	0	0.031	0.018	42.358	-0.048	-0.048	0.000	0.000	0.000	0.000
352	A	652	HOH	0	0.008	-0.025	2.433	-14.236	-13.226	4.933	-2.230	-3.712	-0.023
353	A	657	HOH	0	0.001	-0.004	15.363	0.125	0.125	0.000	0.000	0.000	0.000
354	A	661	HOH	0	-0.012	-0.012	45.388	-0.004	-0.004	0.000	0.000	0.000	0.000
355	A	665	HOH	0	0.019	0.012	16.298	-0.305	-0.305	0.000	0.000	0.000	0.000
356	A	666	HOH	0	-0.035	-0.033	5.162	-0.429	-0.429	0.000	0.000	0.000	0.000
357	A	667	HOH	0	-0.022	-0.021	20.353	0.150	0.150	0.000	0.000	0.000	0.000
358	A	669	HOH	0	0.019	0.005	11.378	0.178	0.178	0.000	0.000	0.000	0.000
359	A	670	HOH	0	-0.023	-0.016	33.176	0.047	0.047	0.000	0.000	0.000	0.000
360	A	674	HOH	0	-0.008	-0.040	7.108	0.466	0.466	0.000	0.000	0.000	0.000
361	A	676	HOH	0	-0.017	-0.018	12.907	0.014	0.014	0.000	0.000	0.000	0.000
362	A	683	HOH	0	-0.003	-0.002	9.136	0.337	0.337	0.000	0.000	0.000	0.000
363	A	687	HOH	0	-0.012	-0.017	25.355	0.151	0.151	0.000	0.000	0.000	0.000
364	A	690	HOH	0	0.010	-0.004	27.452	0.105	0.105	0.000	0.000	0.000	0.000
365	A	691	HOH	0	-0.043	-0.032	15.227	0.315	0.315	0.000	0.000	0.000	0.000
366	A	692	HOH	0	0.000	-0.011	42.041	-0.052	-0.052	0.000	0.000	0.000	0.000
367	A	694	HOH	0	-0.023	-0.016	24.789	-0.154	-0.154	0.000	0.000	0.000	0.000
368	A	696	HOH	0	-0.035	-0.031	37.193	-0.067	-0.067	0.000	0.000	0.000	0.000
369	A	697	HOH	0	-0.032	-0.034	20.038	-0.216	-0.216	0.000	0.000	0.000	0.000
370	A	706	HOH	0	-0.017	-0.015	20.758	0.157	0.157	0.000	0.000	0.000	0.000
371	A	710	HOH	0	-0.007	-0.019	10.474	-0.164	-0.164	0.000	0.000	0.000	0.000
372	A	720	HOH	0	0.020	0.003	29.120	-0.061	-0.061	0.000	0.000	0.000	0.000
373	A	728	HOH	0	0.001	-0.011	32.605	-0.117	-0.117	0.000	0.000	0.000	0.000
374	A	733	HOH	0	-0.055	-0.043	45.947	0.013	0.013	0.000	0.000	0.000	0.000
375	A	799	HOH	0	-0.019	-0.016	23.746	0.238	0.238	0.000	0.000	0.000	0.000
376	A	812	HOH	0	-0.017	-0.006	24.078	-0.141	-0.141	0.000	0.000	0.000	0.000
377	A	822	HOH	0	-0.005	-0.016	29.061	0.146	0.146	0.000	0.000	0.000	0.000

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Interactive mode: IFIE and PIEDA for fragment #305(A:405:T84 )