PDB-3psh: Classification of a Haemophilus influenzae ABC transporter HI1470...

Basic information

• Entry: Database: PDB / ID: 3psh
• Title: Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to Molybdate)
• Components: protein HI_1472
• Keywords: METAL TRANSPORT / Substrate binding protein / Periplasmic binding protein / molybdate binding protein

Function / homology

Function:

monoatomic ion transport / cellular response to iron ion / periplasmic space

Domain/homology:

ABC transporter periplasmic binding domain / Periplasmic binding protein / Iron siderophore/cobalamin periplasmic-binding domain profile. / Nitrogenase molybdenum iron protein domain / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta

Component:

MOLYBDATE ION / Molybdate-binding protein MolA

• Biological species: Haemophilus influenzae (bacteria)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / SAD / MAD / Resolution: 1.5 Å
• Authors: Tirado-Lee, L. / Lee, A. / Rees, D.C. / Pinkett, H.W.
• Citation: Journal: Structure / Year: 2011; Title: Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA.; Authors: Tirado-Lee, L. / Lee, A. / Rees, D.C. / Pinkett, H.W.

History

Deposition	Dec 1, 2010	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 30, 2011	Provider: repository / Type: Initial release
Revision 1.1	Feb 21, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond / database_2 / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Assembly

Deposited unit

A: protein HI_1472

hetero molecules

Summary:

• 36.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	36,803	2
Polymers	36,643	1
Non-polymers	160	1
Water	3,909	217

1

Summary:

• Idetical with deposited unit
• defined by author&software

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

Unit cell

Length a, b, c (Å)	123.295, 123.295, 103.037
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	152
Space group name H-M	P3121

Components

#1: Protein

A protein HI_1472 / periplasmic binding protein MolA

Details:

Mass: 36642.934 Da / Num. of mol.: 1 / Fragment: UNP residues 22-347
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Haemophilus influenzae (bacteria) / Gene: HI1472, HI_1472 / Production host: Escherichia coli (E. coli) / References: UniProt: P44206

#2: Chemical

A-1 ChemComp-MOO / MOLYBDATE ION / MOLYBDATE / Molybdate

Details:

Mass: 159.938 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: MoO₄

#3: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 217 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION / Number of used crystals: 2

Sample preparation

• Crystal: Density Matthews: 6.17 ų/Da / Density % sol: 80.06 %
• Crystal grow: Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 4.5 ; Details: 24% PEG2000 MME, 0.1 M sodium acetate pH 4.5, 0.2 M ammonium sulfate, 12% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 1.54, 1.00
• Detector: Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Dec 7, 2007
• Radiation: Monochromator: Liquid nitrogen-cooled double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

ID	Wavelength (Å)	Relative weight
1	1.54	1
2	1	1

• Reflection: Resolution: 1.5→20 Å / Num. all: 144042 / Num. obs: 138477 / % possible obs: 96.05 %

Phasing

• Phasing: Method: MAD

Phasing MAD set site

ID	Cartn x (Å)	Cartn y (Å)	Cartn z (Å)	Atom type symbol	B iso	Occupancy
1	91.293	44.239	3.73	N	31.37	1
2	89.84	44.444	3.955	CA	31.72	1
3	89.559	45.903	4.352	CB	32.98	1
4	90.302	46.954	3.383	CG	36.08	1
5	91.152	46.528	2.563	OD1	35.02	1
6	90.023	48.188	3.416	OD2	39.07	1
7	89.182	44.124	2.628	C	31.02	1
8	89.188	44.929	1.705	O	34.32	1
9	88.635	42.942	2.478	N	28.85	1
10	87.985	42.673	1.244	CA	25.98	1
11	88.162	41.204	0.894	CB	26.58	1
12	89.532	40.624	1.169	CG	24.4	1
13	89.513	39.114	1.091	CD	24.41	1
14	89.31	38.512	2.416	NE	24.9	1
15	89.035	37.236	2.629	CZ	24.03	1
16	88.887	36.4	1.605	NH1	22.46	1
17	88.888	36.798	3.871	NH2	24.92	1
18	86.505	42.965	1.426	C	25.13	1
19	85.986	42.931	2.55	O	24.84	1
20	85.821	43.195	0.309	N	23.55	1
21	84.384	43.369	0.263	CA	21.76	1
22	84.053	44.631	-0.532	CB	21.79	1
23	84.721	45.86	0.144	CG1	23.38	1
24	84.488	47.227	-0.507	CD1	22.86	1
25	82.577	44.804	-0.634	CG2	21.46	1
26	83.762	42.179	-0.453	C	21.75	1
27	84.188	41.826	-1.539	O	21.86	1
28	82.74	41.554	0.116	N	20.44	1
29	82.086	40.482	-0.581	CA	19.49	1
30	82.395	39.107	0.065	CB	20.31	1
31	81.853	39.038	1.486	CG1	19.92	1
32	80.403	38.73	1.493	CD1	20.49	1
33	83.895	38.853	0.098	CG2	19.34	1
34	80.605	40.766	-0.706	C	19.26	1
35	80.094	41.672	-0.042	O	20.25	1
36	79.914	40.043	-1.579	N	17.76	1
37	78.47	40.144	-1.668	CA	18.06	1
38	78.034	40.451	-3.083	CB	18.93	1
39	78.828	41.543	-3.555	OG1	24.31	1
40	76.615	40.89	-3.091	CG2	18.28	1
41	77.8	38.854	-1.217	C	18.06	1
42	78.057	37.791	-1.771	O	18.94	1
43	76.947	38.938	-0.197	N	17.78	1
44	76.402	37.745	0.395	CA	17.15	1
45	76.219	37.86	1.932	CB	16.78	1
46	75.024	38.699	2.303	CG	19.89	1
47	74.425	39.283	1.369	OD1	19.86	1
48	74.695	38.78	3.526	OD2	20.73	1
49	75.135	37.392	-0.377	C	17.21	1
50	74.871	37.959	-1.426	O	16.23	1
51	74.393	36.394	0.093	N	17.81	1
52	73.345	35.865	-0.738	CA	18.51	1
53	73.298	34.334	-0.649	CB	18.32	1
54	74.538	33.641	-1.253	CG	16.6	1
55	74.354	32.138	-1.355	CD	18.26	1
56	74.151	31.458	-0.339	OE1	23.13	1
57	74.385	31.608	-2.573	NE2	15.32	1
58	72.041	36.508	-0.324	C	19.95	1
59	70.955	36.087	-0.768	O	20.75	1
60	72.124	37.512	0.541	N	20.13	1
61	70.982	38.429	0.662	CA	21.21	1
62	70.652	38.729	2.117	CB	20.83	1
63	69.957	37.65	2.919	CG	22.48	1
64	69.93	38.103	4.377	CD1	22.59	1
65	68.551	37.331	2.407	CD2	18.36	1
66	71.257	39.728	-0.12	C	21.64	1
67	70.693	40.775	0.186	O	21.11	1
68	72.153	39.638	-1.104	N	23.07	1
69	72.535	40.767	-1.964	CA	26.06	1
70	71.356	41.253	-2.832	CB	26.3	1
71	71.201	40.427	-4.139	CG	31.11	1
72	72.138	39.651	-4.486	OD1	33.36	1
73	70.15	40.543	-4.837	OD2	35.09	1
74	73.13	41.923	-1.193	C	27.25	1
75	73.072	43.055	-1.621	O	29.41	1
76	73.715	41.67	-0.033	N	28.06	1
77	74.312	42.777	0.712	CA	27.49	1
78	73.741	42.835	2.127	CB	27.96	1
79	73.986	41.669	2.891	CG	28.88	1
80	72.97	41.463	4.064	CD	29.19	1
81	73.837	40.931	5.12	NE	32.42	1
82	74.375	41.704	6.047	CZ	29.79	1
83	74.075	42.956	6.096	NH1	32.81	1
84	75.176	41.233	6.939	NH2	34.22	1
85	75.843	42.799	0.693	C	26.36	1
86	76.51	41.745	0.559	O	25.52	1
87	76.369	44.019	0.78	N	24.71	1
88	77.792	44.265	0.683	CA	24.93	1
89	78.068	45.686	0.196	CB	25.94	1
90	77.705	45.918	-1.268	CG	29.83	1
91	78.554	45.055	-2.206	CD	33.7	1
92	77.956	45.137	-3.583	CE	38.21	1
93	77.96	43.774	-4.234	NZ	40.13	1
94	78.418	44.188	2.028	C	23.76	1
95	78.203	45.064	2.862	O	24.36	1
96	79.24	43.183	2.252	N	21.88	1
97	79.825	43.051	3.565	CA	19.5	1
98	79.57	41.64	4.141	CB	19.81	1
99	79.733	41.676	5.607	CG1	16.22	1
100	78.148	41.163	3.76	CG2	19.75	1
101	81.305	43.28	3.479	C	18.84	1
102	81.956	42.771	2.573	O	18.79	1
103	81.855	43.991	4.445	N	17.59	1
104	83.289	44.185	4.495	CA	18.15	1
105	83.568	45.677	4.787	CB	19.05	1
106	82.845	46.436	3.827	OG1	24.2	1
107	85.037	46.035	4.681	CG2	16.73	1
108	83.886	43.27	5.56	C	17.65	1
109	83.417	43.252	6.675	O	17.57	1
110	84.892	42.487	5.202	N	17.45	1
111	85.455	41.496	6.105	CA	17.95	1
112	85.053	40.073	5.717	CB	17.5	1
113	85.515	39.739	4.306	CG1	18.25	1
114	85.718	38.191	4.075	CD1	18.06	1
115	83.547	39.897	5.762	CG2	17.37	1
116	86.962	41.618	6.058	C	19.36	1
117	87.524	42.144	5.094	O	19.88	1
118	87.631	41.17	7.116	N	20.4	1
119	89.099	41.283	7.17	CA	20.54	1
120	89.466	40.809	8.572	CB	20.03	1
121	88.166	40.547	9.302	CG	20.61	1
122	87.017	40.584	8.326	CD	20.34	1
123	89.809	40.431	6.11	C	21.52	1
124	89.175	39.639	5.429	O	20.65	1
125	91.132	40.603	5.993	N	22.66	1
126	91.923	39.902	5.002	CA	23.18	1
127	93.285	40.582	4.805	CB	23.71	1
128	93.173	41.844	3.936	CG	24.06	1
129	92.075	42.105	3.353	OD1	25.49	1
130	94.162	42.577	3.842	OD2	21.93	1
131	92.052	38.424	5.275	C	23.84	1
132	91.999	37.592	4.363	O	25.48	1
133	92.151	38.054	6.525	N	23.57	1
134	92.173	36.663	6.804	CA	23.05	1
135	93.596	36.223	7.159	CB	23.77	1
136	94.578	36.58	6.09	CG	27.12	1
137	95.495	37.612	6.225	ND1	28.95	1
138	96.193	37.714	5.101	CE1	29.75	1
139	95.741	36.818	4.238	NE2	24.12	1
140	94.713	36.117	4.822	CD2	27.97	1
141	91.184	36.418	7.897	C	22.13	1
142	90.947	37.312	8.714	O	22.1	1
143	90.6	35.208	7.885	N	20.62	1
144	89.584	34.808	8.821	CA	18.96	1
145	88.294	34.371	8.074	CB	20.01	1
146	87.606	35.554	7.408	CG1	17.34	1
147	87.342	36.668	8.338	CD1	18.11	1
148	87.316	33.63	9.04	CG2	19.9	1
149	90.085	33.608	9.62	C	18.46	1
150	90.337	32.53	9.067	O	17.96	1
151	90.215	33.785	10.93	N	17.76	1
152	90.626	32.673	11.789	CA	17.67	1
153	92.005	32.968	12.375	CB	18.68	1
154	93.065	32.964	11.314	CG	22.31	1
155	93.51	31.89	10.849	OD1	23.39	1
156	93.401	34.161	10.834	ND2	21.69	1
157	89.658	32.38	12.923	C	17.07	1
158	89.843	31.364	13.622	O	15.45	1
159	88.64	33.257	13.087	N	15.97	1
160	87.748	33.187	14.231	CA	16.66	1
161	88.146	34.206	15.315	CB	17.27	1
162	89.631	34.483	15.429	CG	21.18	1
163	90.276	34.297	16.76	CD	24.52	1
164	89.324	34.251	17.845	NE	27.25	1
165	89.389	33.34	18.818	CZ	29.27	1
166	90.39	32.432	18.835	NH1	27.28	1
167	88.434	33.31	19.737	NH2	25.5	1
168	86.281	33.361	13.807	C	15.71	1
169	85.494	34.101	14.43	O	15.82	1
170	85.922	32.666	12.735	N	14.24	1
171	84.579	32.704	12.209	CA	11.72	1
172	84.578	32.08	10.854	CB	12.29	1
173	83.631	31.933	13.133	C	11.13	1
174	84.016	30.921	13.776	O	8.7	1
175	82.383	32.387	13.146	N	8.91	1
176	81.4	31.705	13.876	CA	9.91	1
177	80.879	32.574	15.061	CB	11.03	1
178	79.597	32.054	15.55	CG1	11.83	1
179	81.895	32.532	16.212	CG2	12.07	1
180	80.313	31.339	12.868	C	10.12	1
181	79.846	32.18	12.096	O	10.82	1
182	79.88	30.084	12.872	N	9.65	1
183	79.036	29.632	11.81	CA	9.86	1
184	79.768	28.445	11.097	CB	11.43	1
185	78.922	27.908	9.957	CG1	11.23	1
186	81.139	28.902	10.643	CG2	8.31	1
187	77.699	29.187	12.383	C	8.78	1
188	77.625	28.149	12.981	O	8.96	1
189	76.643	29.942	12.154	N	9.4	1
190	75.322	29.698	12.772	CA	10.25	1
191	74.722	31.036	13.263	CB	10.65	1
192	75.585	31.735	14.328	CG	13.21	1
193	74.854	32.869	14.988	CD1	14.22	1
194	76.098	30.702	15.401	CD2	10.33	1
195	74.348	29.104	11.774	C	11.11	1
196	73.162	29.415	11.78	O	11.13	1
197	74.836	28.249	10.897	N	12.4	1
198	73.954	27.512	10.006	CA	13.49	1
199	73.798	28.307	8.724	CB	14.55	1
200	72.841	27.721	7.752	CG	15.59	1
201	73.132	28.179	6.328	CD	20.62	1
202	74.22	27.869	5.744	OE1	19.44	1
203	72.169	28.916	5.749	NE2	16.19	1
204	74.701	26.244	9.704	C	13.12	1
205	75.868	26.291	9.321	O	12.74	1
206	74.037	25.113	9.848	N	13.01	1
207	74.691	23.829	9.615	CA	12.86	1
208	73.762	22.696	10.106	CB	13.61	1
209	72.363	22.768	9.562	CG	13.79	1
210	71.493	23.799	9.863	ND1	14.43	1
211	70.331	23.6	9.254	CE1	11.32	1
212	70.417	22.487	8.551	NE2	14.19	1
213	71.673	21.93	8.748	CD2	14.97	1
214	75.158	23.621	8.114	C	12.81	1
215	76.174	22.963	7.852	O	11.59	1
216	74.44	24.182	7.141	N	12.55	1
217	74.781	23.877	5.717	CA	12.35	1
218	73.73	24.418	4.716	CB	12.02	1
219	72.383	23.811	4.824	CG	11.61	1
220	71.421	24.53	5.801	CD	16.64	1
221	71.82	25.452	6.571	OE1	15.88	1
222	70.137	24.132	5.747	NE2	8.76	1
223	76.157	24.441	5.407	C	13.26	1
224	77	23.82	4.696	O	13.1	1
225	76.391	25.626	5.977	N	13.98	1
226	77.641	26.305	5.786	CA	14.12	1
227	77.609	27.756	6.254	CB	14.53	1
228	76.784	28.535	5.385	OG1	11.66	1
229	79.025	28.329	6.229	CG2	16.32	1
230	78.691	25.551	6.572	C	15.24	1
231	79.88	25.525	6.161	O	17.25	1
232	78.302	24.887	7.665	N	13.37	1
233	79.362	24.287	8.437	CA	12.87	1
234	78.938	24.02	9.904	CB	13.12	1
235	79.929	23.297	10.83	CG	11.92	1
236	81.174	24.134	11.189	CD1	10.18	1
237	79.159	22.943	12.071	CD2	13.21	1
238	79.724	23.003	7.73	C	11.57	1
239	80.878	22.647	7.708	O	12.95	1
240	78.755	22.298	7.155	N	10.33	1
241	79.075	21.129	6.333	CA	10.55	1
242	77.789	20.53	5.787	CB	11.58	1
243	77.979	19.163	5.13	CG	14.51	1
244	78.807	18.336	5.539	OD1	13.35	1
245	77.123	18.89	4.137	ND2	16.75	1
246	80.015	21.569	5.171	C	10.25	1
247	81.086	21.017	4.952	O	9.35	1
248	79.664	22.63	4.46	N	10.04	1
249	80.545	22.995	3.39	CA	9.37	1
250	79.971	24.16	2.615	CB	10.37	1
251	78.758	23.679	1.809	CG1	9.16	1
252	77.92	24.817	1.224	CD1	11.68	1
253	81.071	24.856	1.835	CG2	8.15	1
254	81.928	23.353	3.968	C	10.14	1
255	82.956	22.98	3.397	O	8.48	1
256	81.963	24.062	5.098	N	9.92	1
257	83.249	24.518	5.625	CA	10.58	1
258	83.046	25.4	6.873	CB	11.97	1
259	84.141	23.318	5.964	C	11.97	1
260	85.361	23.334	5.677	O	13.41	1
261	83.57	22.268	6.551	N	11.07	1
262	84.332	21.099	6.873	CA	11.46	1
263	83.438	20.027	7.517	CB	13.39	1
264	84.265	18.697	7.766	CG1	10.99	1
265	82.804	20.58	8.791	CG2	9.87	1
266	84.87	20.519	5.584	C	12.79	1
267	86.028	20.083	5.484	O	12.85	1
268	84.026	20.506	4.577	N	13.35	1
269	84.467	19.988	3.328	CA	14.73	1
270	83.283	19.701	2.421	CB	15.6	1
271	82.513	18.429	2.764	CG	16.72	1
272	81.249	18.211	1.948	CD	16.75	1
273	80.231	18.804	2.216	OE1	23.05	1
274	81.307	17.329	0.987	NE2	20.54	1
275	85.478	20.962	2.673	C	15.53	1
276	86.332	20.504	1.912	O	17.19	1
277	85.427	22.276	2.936	N	14.4	1
278	86.468	23.147	2.401	CA	14.42	1
279	86.09	24.613	2.471	CB	15.19	1
280	85.09	25.021	1.374	CG	18.86	1
281	84.976	26.543	1.342	CD1	20.87	1
282	85.452	24.474	-0.042	CD2	16.32	1
283	87.747	22.981	3.166	C	15.18	1
284	88.734	23.667	2.891	O	14.36	1
285	87.746	22.075	4.145	N	16.57	1
286	88.872	21.932	5.097	CA	16.78	1
287	90.124	21.508	4.373	CB	17.07	1
288	91.113	20.746	5.291	CG	23.15	1
289	90.934	20.787	6.552	OD1	23.24	1
290	92.097	20.102	4.748	OD2	28.97	1
291	89.182	23.202	5.916	C	16.7	1
292	90.332	23.463	6.197	O	15.74	1
293	88.164	23.952	6.333	N	16.77	1
294	88.376	25.301	6.899	CA	18.07	1
295	87.48	26.391	6.202	CB	17.51	1
296	88.068	25.275	8.367	C	18.06	1
297	87.976	26.283	9.032	O	17.45	1
298	87.916	24.085	8.868	N	19.46	1
299	87.527	23.912	10.242	CA	21.58	1
300	87.344	22.413	10.467	CB	21.87	1
301	86.24	22.225	11.325	OG1	27.71	1
302	88.546	21.799	11.075	CG2	24.5	1
303	88.416	24.596	11.313	C	21.32	1
304	87.899	25.059	12.318	O	21.5	1
305	89.734	24.701	11.103	N	21.97	1
306	90.646	25.391	12.046	CA	23.24	1
307	92.125	25.131	11.676	CB	23.68	1
308	92.721	23.81	12.282	CG	28.63	1
309	94.006	23.26	11.523	CD	29.71	1
310	93.668	21.976	10.685	CE	37.09	1
311	94.73	20.857	10.856	NZ	41.51	1
312	90.444	26.919	12.131	C	21.85	1
313	91.02	27.585	12.978	O	22.72	1
314	89.673	27.473	11.221	N	19.81	1
315	89.391	28.869	11.212	CA	17.43	1
316	89.407	29.349	9.785	CB	17.74	1
317	90.809	29.287	9.166	CG	17.67	1
318	90.765	29.324	7.67	CD	17.97	1
319	90.664	28.294	7.055	OE1	22.75	1
320	90.779	30.496	7.089	NE2	12.39	1
321	88.038	29.087	11.788	C	16.8	1
322	87.416	30.141	11.558	O	16.03	1
323	87.575	28.125	12.597	N	17.28	1
324	86.253	28.267	13.209	CA	17.18	1
325	85.229	27.279	12.642	CB	18.67	1
326	84.935	27.571	11.16	CG1	18.86	1
327	84.122	26.408	10.513	CD1	18.72	1
328	83.905	27.264	13.457	CG2	19.23	1
329	86.313	28.149	14.711	C	16.56	1
330	86.926	27.226	15.255	O	17.28	1
331	85.632	29.065	15.393	N	16.02	1
332	85.642	29.037	16.841	CA	16.68	1
333	86.385	30.244	17.446	CB	16.93	1
334	87.843	30.282	16.909	CG1	17.72	1
335	85.637	31.503	17.115	CG2	14.67	1
336	84.262	28.979	17.488	C	16.81	1
337	84.176	28.792	18.726	O	17.47	1
338	83.196	29.172	16.712	N	15.38	1
339	81.864	28.88	17.256	CA	14.58	1
340	80.886	28.353	16.224	C	14.09	1
341	81.017	28.633	15.037	O	14.35	1
342	79.882	27.614	16.677	N	13.51	1
343	78.896	27.014	15.776	CA	13.14	1
344	79.258	25.588	15.426	CB	14.17	1
345	80.66	25.557	14.951	CG1	13.78	1
346	79.064	24.621	16.64	CG2	10.85	1
347	77.513	27.033	16.421	C	13.89	1
348	77.392	27.238	17.693	O	13.67	1
349	76.495	26.88	15.569	N	11.57	1
350	75.12	26.891	16.046	CA	12	1
351	74.139	26.654	14.911	CB	11.1	1
352	74.073	25.276	14.266	CG	13.37	1
353	72.794	25.178	13.374	CD1	11.23	1
354	75.308	24.963	13.473	CD2	12.03	1
355	74.981	25.824	17.122	C	12.52	1
356	75.685	24.793	17.09	O	12.73	1
357	74.112	26.077	18.096	N	13.17	1
358	74.077	25.234	19.268	CA	15.57	1
359	73.48	26.014	20.427	CB	15.68	1
360	72.129	26.355	20.165	OG	19.84	1
361	73.331	23.891	18.994	C	16.4	1
362	73.592	22.857	19.616	O	15.17	1
363	72.415	23.909	18.035	N	17.88	1
364	71.72	22.694	17.674	CA	19.92	1
365	70.275	22.997	17.24	CB	20.84	1
366	70.207	24.085	16.154	CG	25.14	1
367	71.216	24.741	15.88	OD1	28.24	1
368	69.023	24.289	15.539	ND2	28.04	1
369	72.464	21.995	16.531	C	20.47	1
370	71.829	21.348	15.686	O	21.63	1
371	73.792	22.062	16.492	N	20.72	1
372	74.463	21.402	15.373	CA	21.75	1
373	75.957	21.752	15.244	CB	22.57	1
374	76.793	21.257	16.396	CG	24.3	1
375	76.86	21.796	17.643	CD1	24.3	1
376	77.709	21.084	18.423	NE1	22.67	1
377	78.229	20.06	17.69	CE2	23.59	1
378	77.66	20.128	16.409	CD2	25.05	1
379	78.016	19.173	15.457	CE3	27.64	1
380	78.937	18.213	15.806	CZ3	26.91	1
381	79.48	18.172	17.101	CH2	27.51	1
382	79.126	19.083	18.057	CZ2	23.02	1
383	74.266	19.901	15.365	C	21.51	1
384	74.184	19.308	14.292	O	22.28	1
385	74.176	19.27	16.526	N	21.85	1
386	74.097	17.794	16.581	CA	22.8	1
387	74.307	17.268	17.992	CB	22.33	1
388	73.617	15.951	18.214	CG	28.55	1
389	73.073	15.686	19.721	CD	31.94	1
390	71.512	15.505	19.789	CE	32.78	1
391	70.809	16.758	20.324	NZ	29.18	1
392	72.77	17.318	16.006	C	22.3	1
393	72.683	16.314	15.288	O	21.38	1
394	71.714	18.057	16.29	N	22.04	1
395	70.448	17.694	15.71	CA	21.85	1
396	69.284	18.364	16.444	CB	22.14	1
397	68.148	18.643	15.486	CG	27.28	1
398	66.918	19.242	16.126	CD	33.26	1
399	65.874	18.138	16.31	CE	37.31	1
400	65.16	17.983	15	NZ	39.95	1
401	70.409	18.011	14.175	C	20.73	1
402	69.882	17.207	13.402	O	21.33	1
403	70.934	19.149	13.716	N	17.86	1
404	70.761	19.441	12.288	CA	16.64	1
405	70.914	20.94	11.918	CB	16.83	1
406	70.004	21.838	12.695	CG	19.39	1
407	68.599	21.587	12.333	CD	22.47	1
408	68.323	20.945	11.32	OE1	27.76	1
409	67.682	22.054	13.155	NE2	20.68	1
410	71.664	18.575	11.386	C	14.58	1
411	71.308	18.335	10.222	O	12.05	1
412	72.816	18.16	11.912	N	13.25	1
413	73.789	17.363	11.141	CA	13.64	1
414	75.198	17.867	11.408	CB	14.33	1
415	75.455	19.261	10.802	CG	17.13	1
416	76.614	19.923	11.491	CD1	16.51	1
417	75.657	19.234	9.26	CD2	15.27	1
418	73.767	15.87	11.422	C	13.36	1
419	74.369	15.097	10.692	O	15.06	1
420	73.112	15.435	12.485	N	13.93	1
421	73.134	14.021	12.839	CA	15.34	1
422	74.108	13.671	13.968	C	17.52	1
423	75.123	14.325	14.181	O	18.84	1
424	73.837	12.604	14.691	N	19.15	1
425	74.726	12.269	15.75	CA	21.02	1
426	74.01	11.37	16.774	CB	22.71	1
427	73.687	10	16.282	CG	26.05	1
428	72.665	9.348	17.177	CD	32.32	1
429	72.211	8.043	16.54	CE	36.46	1
430	73.361	7.085	16.354	NZ	38.13	1
431	76.017	11.649	15.248	C	20.87	1
432	76.966	11.579	15.983	O	23.12	1
433	76.115	11.209	14.005	N	21.05	1
434	77.406	10.645	13.565	CA	21.43	1
435	77.182	9.369	12.732	CB	22.17	1
436	76.475	8.308	13.524	CG	23.76	1
437	75.443	7.769	13.113	OD1	23.29	1
438	76.98	8.065	14.724	ND2	27.2	1
439	78.29	11.644	12.803	C	21.45	1
440	79.374	11.302	12.324	O	21.91	1
441	77.837	12.881	12.695	N	21.63	1
442	78.59	13.866	11.998	CA	22.61	1
443	77.754	15.162	11.857	CB	24.16	1
444	78.346	16.114	10.827	CG	23.13	1
445	78.119	15.91	9.464	CD1	21.88	1
446	78.696	16.724	8.503	CE1	21.23	1
447	79.492	17.774	8.923	CZ	24.75	1
448	80.007	18.61	7.966	OH	25.79	1
449	79.748	18.003	10.282	CE2	21.09	1
450	79.175	17.175	11.218	CD2	21.34	1
451	79.907	14.158	12.722	C	22.55	1
452	80.947	14.411	12.086	O	22.91	1
453	79.863	14.153	14.05	N	23.2	1
454	81.07	14.412	14.857	CA	23.28	1
455	80.767	14.467	16.383	CB	24.03	1
456	80.523	13.086	16.956	CG1	22.64	1
457	81.893	15.132	17.143	CG2	24.28	1
458	82.193	13.424	14.535	C	23.5	1
459	83.351	13.716	14.767	O	25.19	1
460	81.912	12.269	13.948	N	23.88	1
461	83.055	11.516	13.406	CA	24.58	1
462	82.647	10.117	13.01	CB	24.32	1
463	83.837	9.207	12.694	CG	26.7	1
464	83.352	7.844	12.178	CD	28.47	1
465	82.8	7.998	10.815	NE	31.6	1
466	83.559	7.97	9.71	CZ	31.14	1
467	84.882	7.782	9.803	NH1	30.82	1
468	83.022	8.135	8.519	NH2	27.3	1
469	83.741	12.254	12.208	C	24.79	1
470	84.962	12.122	11.989	O	25.22	1
471	82.959	12.985	11.409	N	24.37	1
472	83.519	13.641	10.251	CA	24.65	1
473	82.415	14.016	9.258	CB	24.71	1
474	81.585	12.783	8.892	CG	24.85	1
475	80.477	13.11	7.935	CD1	25.03	1
476	82.463	11.725	8.248	CD2	23.08	1
477	84.281	14.873	10.722	C	24.91	1
478	85.219	15.341	10.081	O	25.52	1
479	83.915	15.408	11.875	N	25.13	1
480	84.563	16.648	12.302	CA	24.63	1
481	83.69	17.823	11.912	CB	24.57	1
482	84.8	16.682	13.798	C	24.51	1
483	84.011	17.353	14.481	O	25.61	1
484	84.482	19.855	16.521	N	26.06	1
485	83.135	20.376	16.857	CA	28.35	1
486	82.052	20.03	15.827	CB	27.56	1
487	82.346	20.262	14.343	CG	28.29	1
488	81.148	19.748	13.449	CD1	27.5	1
489	82.625	21.673	14.075	CD2	23.59	1
490	82.625	19.936	18.21	C	28.74	1
491	81.88	20.687	18.823	O	28.7	1
492	82.995	18.721	18.649	N	29.93	1
493	82.559	18.21	19.946	CA	31.74	1
494	83.326	16.96	20.343	CB	32.03	1
495	82.552	16.039	21.345	CG	34.7	1
496	81.111	15.678	20.881	CD	36.31	1
497	80.307	16.594	20.643	OE1	38.07	1
498	80.751	14.48	20.783	OE2	37.13	1
499	82.749	19.205	21.085	C	32.98	1
500	81.954	19.209	22.03	O	34.23	1
501	83.782	20.042	20.986	N	32.59	1
502	84.214	20.88	22.061	CA	33.17	1
503	85.586	20.401	22.614	CB	34.19	1
504	85.426	19.315	23.713	CG	37.31	1
505	86.331	18.474	23.943	OD1	36.34	1
506	84.253	19.334	24.392	ND2	36.65	1
507	84.407	22.281	21.547	C	32.36	1
508	85.452	22.893	21.785	O	34.09	1
509	83.451	22.787	20.802	N	28.98	1
510	83.619	24.077	20.251	CA	26.04	1
511	83.622	23.964	18.763	CB	26.33	1
512	84.266	25.181	18.228	CG	28.99	1
513	84.224	25.222	16.503	SD	29.64	1
514	85.735	24.366	16.057	CE	26.07	1
515	82.475	25.004	20.708	C	23.59	1
516	81.333	24.528	20.925	O	22.57	1
517	82.766	26.295	20.881	N	19.78	1
518	81.785	27.166	21.514	CA	19.21	1
519	82.392	28.526	21.828	CB	18.46	1
520	80.464	27.304	20.654	C	19.35	1
521	80.485	27.233	19.4	O	18.11	1
522	79.338	27.48	21.356	N	18.12	1
523	78.021	27.549	20.752	CA	18.52	1
524	77.162	26.28	21.076	CB	19.03	1
525	77.776	24.966	20.541	CG	20.43	1
526	76.947	23.456	21.079	SD	23.71	1
527	77.373	23.462	22.804	CE	22.21	1
528	77.285	28.775	21.207	C	16.19	1
529	76.436	28.666	22.021	O	16.61	1
530	77.611	29.936	20.665	N	15.63	1
531	77.041	31.215	21.023	CA	15.29	1
532	78.131	32.205	20.611	CB	15.46	1
533	78.783	31.558	19.356	CG	15.94	1
534	78.749	30.063	19.713	CD	16.94	1
535	75.772	31.674	20.329	C	16.85	1
536	75.465	32.873	20.432	O	18.3	1
537	75.032	30.798	19.663	N	15.78	1
538	73.773	31.192	19.042	CA	15.41	1
539	73.252	29.983	18.271	C	15.91	1
540	73.836	28.888	18.325	O	15.24	1
541	72.183	30.184	17.522	N	16.54	1
542	71.59	29.132	16.699	CA	18.1	1
543	70.304	28.6	17.357	CB	19.99	1
544	69.731	27.438	16.562	CG	32.24	1
545	70.579	26.479	16.382	OD1	35.89	1
546	68.503	27.474	16.076	OD2	37.8	1
547	71.217	29.744	15.345	C	16.4	1
548	71.737	30.795	14.972	O	15.31	1
549	70.281	29.122	14.642	N	15.43	1
550	69.812	29.644	13.342	CA	17.71	1
551	68.847	28.62	12.68	CB	18.22	1
552	69.524	27.33	12.305	CG	17.63	1
553	68.446	26.298	11.98	CD1	20.33	1
554	70.326	27.661	11.096	CD2	15.74	1
555	69.079	30.976	13.415	C	16.51	1
556	69.202	31.822	12.544	O	16.25	1
557	68.273	31.146	14.446	N	17.76	1
558	67.438	32.333	14.539	CA	19.47	1
559	65.95	31.922	14.443	CB	21.9	1
560	65.597	30.837	15.441	CG	22.93	1
561	66.109	30.813	16.566	OD1	25.76	1
562	64.755	29.905	15.02	ND2	27.34	1
563	67.618	33.077	15.831	C	18.93	1
564	66.746	33.798	16.263	O	21.35	1
565	68.714	32.886	16.52	N	18.08	1
566	68.91	33.677	17.711	CA	17.44	1
567	68.109	33.122	18.906	CB	17.48	1
568	68.619	31.865	19.257	OG	18.8	1
569	70.408	33.708	17.959	C	16.65	1
570	71.178	32.884	17.414	O	17.05	1
571	70.832	34.676	18.738	N	14.78	1
572	72.225	34.813	18.971	CA	13.97	1
573	72.84	35.804	17.954	CB	15.44	1
574	72.262	37.208	18.212	CG1	16.23	1
575	74.393	35.813	18.081	CG2	13.9	1
576	72.368	35.364	20.353	C	12.66	1
577	71.51	36.069	20.843	O	9.64	1
578	73.475	35.015	20.973	N	13.79	1
579	73.807	35.5	22.308	CA	14.77	1
580	74.058	34.297	23.209	CB	16.31	1
581	74.332	34.704	24.678	CG	21.46	1
582	74.458	35.903	25.024	OD1	26.51	1
583	74.453	33.703	25.538	ND2	20.7	1
584	75.03	36.463	22.254	C	13.94	1
585	76.17	36.027	22.192	O	13.4	1
586	74.8	37.775	22.222	N	14.49	1
587	75.893	38.683	21.915	CA	15.56	1
588	75.406	40.122	21.747	CB	16.65	1
589	74.467	40.193	20.543	CG1	17.44	1
590	75.22	40.002	19.189	CD1	17.09	1
591	76.609	41.036	21.508	CG2	13.34	1
592	77.051	38.633	22.912	C	16.6	1
593	78.223	38.627	22.515	O	18.11	1
594	76.735	38.555	24.202	N	17.3	1
595	77.75	38.476	25.252	CA	17.52	1
596	77.114	38.483	26.632	CB	18.05	1
597	76.182	39.715	26.852	CG	23.05	1
598	76.901	40.983	27.345	CD	29.57	1
599	78.121	41.204	27.139	OE1	27.23	1
600	76.207	41.798	27.976	OE2	37.14	1
601	78.681	37.286	25.104	C	17.52	1
602	79.885	37.425	25.329	O	18.84	1
603	78.152	36.124	24.746	N	17.11	1
604	78.988	34.958	24.513	CA	17.37	1
605	78.163	33.673	24.377	CB	18.18	1
606	77.578	33.298	25.597	OG	18.86	1
607	79.717	35.158	23.201	C	17.51	1
608	80.909	34.846	23.087	O	19.31	1
609	79.021	35.675	22.202	N	16.7	1
610	79.645	35.885	20.911	CA	16.9	1
611	78.628	36.538	19.981	CB	15.97	1
612	79.214	36.684	18.6	CG	16.87	1
613	79.56	35.308	18.087	CD1	16.52	1
614	78.251	37.395	17.697	CD2	16.82	1
615	80.929	36.762	21.103	C	17	1
616	82.045	36.36	20.79	O	17.07	1
617	80.783	37.923	21.725	N	17.16	1
618	81.913	38.83	21.824	CA	17.16	1
619	81.49	40.136	22.485	CB	15.93	1
620	80.555	41.009	21.667	CG	14.49	1
621	79.999	42.2	22.465	CD1	10.97	1
622	81.296	41.532	20.424	CD2	15.19	1
623	83.101	38.228	22.567	C	18.02	1
624	84.229	38.542	22.241	O	20.74	1
625	82.894	37.372	23.554	N	17.92	1
626	84.046	36.848	24.293	CA	18.4	1
627	83.587	36.039	25.529	CB	18.07	1
628	84.944	35.988	23.401	C	18.58	1
629	86.118	35.878	23.65	O	18.48	1
630	84.384	35.364	22.365	N	19.74	1
631	85.188	34.601	21.395	CA	20.66	1
632	84.268	33.725	20.548	CB	21.31	1
633	83.296	32.891	21.383	CG	22.95	1
634	82.206	32.277	20.472	CD1	18.98	1
635	84.101	31.833	22.225	CD2	20.84	1
636	86.019	35.447	20.426	C	19.96	1
637	86.861	34.918	19.67	O	20.66	1
638	85.737	36.734	20.379	N	19.79	1
639	86.438	37.609	19.455	CA	21.29	1
640	87.945	37.589	19.78	CB	22.44	1
641	88.346	38.165	21.167	CG	22.51	1
642	89.855	38.033	21.274	CD	25.92	1
643	90.462	38.598	22.563	CE	28.93	1
644	90.05	37.705	23.692	NZ	35.77	1
645	86.248	37.207	17.988	C	20.92	1
646	87.229	37.049	17.275	O	22.44	1
647	85.001	37.033	17.528	N	20.24	1
648	84.795	36.637	16.148	CA	19.56	1
649	83.261	36.581	16.017	CB	21.24	1
650	82.7	37.031	17.312	CG	20.76	1
651	83.749	37.221	18.279	CD	20.45	1
652	85.279	37.731	15.182	C	18.59	1
653	84.968	38.906	15.391	O	18.52	1
654	85.949	37.341	14.1	N	17.8	1
655	86.193	38.255	12.973	CA	16.58	1
656	87.54	37.979	12.308	CB	17.9	1
657	87.819	36.47	12.117	CG	21.85	1
658	86.883	35.659	12.241	OD1	25.8	1
659	88.98	36.078	11.832	OD2	24.57	1
660	85.062	38.18	11.941	C	15.95	1
661	84.916	39.111	11.103	O	15.31	1
662	84.251	37.11	11.97	N	14.16	1
663	83.096	37.057	11.054	CA	13.99	1
664	83.481	36.607	9.63	CB	14.65	1
665	83.806	35.153	9.617	CG1	11.63	1
666	82.319	36.869	8.662	CG2	12.75	1
667	82.052	36.104	11.519	C	14.43	1
668	82.399	35.054	12.058	O	16.05	1
669	80.777	36.423	11.293	N	14.03	1
670	79.701	35.475	11.584	CA	13.53	1
671	78.67	36.012	12.632	CB	15.08	1
672	77.635	34.947	12.954	CG1	13.04	1
673	79.364	36.427	13.938	CG2	16.23	1
674	78.907	35.083	10.348	C	13.58	1
675	78.42	35.954	9.598	O	13.16	1
676	78.729	33.775	10.175	N	12.92	1
677	77.89	33.268	9.131	CA	12.45	1
678	78.439	31.963	8.559	CB	14.5	1
679	79.57	32.127	7.597	CG	14.83	1
680	79.329	32.256	6.244	CD1	13.46	1
681	80.358	32.373	5.358	CE1	14.85	1
682	81.683	32.362	5.828	CZ	15.62	1
683	81.928	32.217	7.175	CE2	15.64	1
684	80.876	32.095	8.051	CD2	14.39	1
685	76.515	32.964	9.652	C	12.26	1
686	76.326	32.217	10.638	O	9.95	1
687	75.533	33.426	8.899	N	12.32	1
688	74.166	33.362	9.361	CA	12.82	1
689	73.745	34.815	9.674	CB	13.95	1
690	72.594	35.274	8.859	CG1	10.66	1
691	73.665	35.097	11.204	CG2	14.84	1
692	73.387	32.753	8.188	C	14.83	1
693	73.857	32.842	7.033	O	16.03	1
694	72.215	32.174	8.457	N	15.04	1
695	71.372	31.653	7.425	CA	15.52	1
696	70.48	30.484	7.928	CB	17.08	1
697	69.924	29.795	6.79	OG1	19.48	1
698	69.395	30.982	8.79	CG2	13.3	1
699	70.5	32.738	6.819	C	15.5	1
700	70.181	33.758	7.479	O	14.77	1
701	70.103	32.509	5.56	N	14.01	1
702	69.48	33.563	4.785	CA	15.01	1
703	69.206	33.109	3.346	CB	15.18	1
704	68.278	31.914	3.283	CG	15.7	1
705	68.594	30.839	3.785	OD1	13.9	1
706	67.12	32.105	2.663	ND2	15.18	1
707	68.178	34.035	5.378	C	15.26	1
708	67.707	35.106	5.021	O	16.5	1
709	67.535	33.24	6.23	N	15.68	1
710	66.255	33.708	6.713	CA	16.29	1
711	65.173	32.653	6.529	CB	16.18	1
712	65.454	31.408	7.306	CG	15.95	1
713	65.099	31.317	8.646	CD1	14.66	1
714	65.367	30.193	9.382	CE1	13.31	1
715	65.983	29.114	8.762	CZ	16.68	1
716	66.236	27.967	9.497	OH	17.83	1
717	66.34	29.172	7.409	CE2	15.88	1
718	66.081	30.313	6.703	CD2	15.51	1
719	66.349	34.161	8.156	C	16.57	1
720	65.334	34.31	8.849	O	16.68	1
721	67.571	34.374	8.62	N	17.36	1
722	67.766	34.858	9.998	CA	17.33	1
723	69.239	35.019	10.323	CB	17.83	1
724	67.044	36.181	10.176	C	16.49	1
725	67.068	37.078	9.296	O	16.05	1
726	66.365	36.307	11.304	N	16.2	1
727	65.622	37.574	11.58	CA	17.09	1
728	65.069	37.338	12.99	CB	17.79	1
729	65.029	35.778	13.15	CG	16.2	1
730	66.211	35.284	12.356	CD	15.77	1
731	66.592	38.766	11.573	C	17.63	1
732	67.803	38.55	11.694	O	17.2	1
733	66.11	39.998	11.498	N	19.22	1
734	67.024	41.129	11.783	CA	21.72	1
735	66.695	42.294	10.849	CB	24.36	1
736	65.463	42.062	10.168	OG	25.19	1
737	67.077	41.592	13.224	C	21.59	1
738	66.171	41.239	14.052	O	22.85	1
739	69.932	36.724	14.589	N	19.49	1
740	69.533	38.199	14.577	CA	19.7	1
741	68.876	38.597	15.89	CB	21.72	1
742	67.835	37.486	16.51	CG	25.48	1
743	66.814	37.997	17.919	SD	14.35	1
744	65.849	39.219	17.308	CE	14.05	1
745	70.632	39.247	14.134	C	18.84	1
746	71.577	39.55	14.855	O	19.76	1
747	70.48	39.791	12.939	N	17.05	1
748	71.585	40.373	12.193	CA	16.54	1
749	71.206	40.46	10.635	CB	17.04	1
750	71.083	39.026	10.033	CG1	15.8	1
751	70.225	38.95	8.802	CD1	17.29	1
752	72.175	41.385	9.843	CG2	12.77	1
753	71.997	41.73	12.804	C	16.78	1
754	73.192	41.996	12.976	O	16.93	1
755	71.004	42.53	13.208	N	16	1
756	71.233	43.863	13.657	CA	16.91	1
757	69.937	44.673	13.609	CB	16.82	1
758	70.012	46.132	14.079	CG	18.39	1
759	68.603	46.685	14.251	CD	21.57	1
760	68.575	48.011	15.006	CE	26.6	1
761	69.74	48.831	14.542	NZ	31.88	1
762	71.944	43.819	15.041	C	17.29	1
763	72.904	44.521	15.277	O	17.96	1
764	71.577	42.9	15.903	N	17.4	1
765	72.386	42.701	17.097	CA	17.64	1
766	71.838	41.532	17.95	CB	18.23	1
767	70.727	41.884	18.898	CG	18.63	1
768	70.324	40.692	19.784	CD	21.31	1
769	69.354	39.997	19.469	OE1	25.46	1
770	71.055	40.456	20.884	NE2	19.77	1
771	73.867	42.41	16.814	C	16.65	1
772	74.732	42.875	17.523	O	15.99	1
773	74.154	41.564	15.83	N	16.4	1
774	75.53	41.13	15.607	CA	14.61	1
775	75.582	39.94	14.606	CB	15.31	1
776	74.999	38.653	15.213	CG1	14.94	1
777	75.033	37.411	14.228	CD1	13.45	1
778	76.98	39.719	14.094	CG2	13.6	1
779	76.248	42.315	14.986	C	15.02	1
780	77.398	42.621	15.321	O	16.77	1
781	75.572	43.061	14.119	N	14.5	1
782	76.302	44.146	13.464	CA	14.68	1
783	75.822	44.357	12.021	CB	16.26	1
784	74.714	45.199	11.968	OG	14.57	1
785	76.327	45.455	14.249	C	14.23	1
786	77.187	46.283	13.985	O	14.35	1
787	75.386	45.645	15.188	N	14.44	1
788	75.367	46.801	16.102	CA	14.2	1
789	74.142	46.778	16.985	CB	13.32	1
790	73.037	47.56	16.407	CG	16.7	1
791	73.25	48.092	15.317	OD1	22.59	1
792	71.957	47.668	17.016	OD2	19.03	1
793	76.602	46.739	17.01	C	14.55	1
794	76.923	47.682	17.69	O	14.66	1
795	77.281	45.606	17.004	N	14.03	1
796	78.429	45.44	17.811	CA	14.19	1
797	78.159	44.276	18.775	CB	15.55	1
798	79.388	43.488	19.058	CG1	19.77	1
799	77.445	44.741	20.081	CG2	16.17	1
800	79.616	45.215	16.836	C	13.94	1
801	80.681	44.733	17.217	O	11.76	1
802	79.428	45.588	15.567	N	14.26	1
803	80.57	45.716	14.638	CA	15.87	1
804	81.687	46.547	15.296	CB	16.62	1
805	81.137	47.799	16.058	CG	19.13	1
806	80.097	48.373	15.682	OD1	20.23	1
807	81.857	48.226	17.097	ND2	17.13	1
808	81.204	44.394	14.196	C	16.13	1
809	82.419	44.33	14.045	O	17.77	1
810	80.427	43.335	14.022	N	15.51	1
811	80.99	42.096	13.522	CA	15.59	1
812	80.678	40.889	14.455	CB	16.72	1
813	81.126	41.144	15.88	CG1	16.46	1
814	80.698	40.051	16.764	CD1	17.37	1
815	81.344	39.608	13.993	CG2	16.58	1
816	80.351	41.891	12.137	C	15.3	1
817	79.124	41.949	11.985	O	15.03	1
818	81.185	41.669	11.108	N	15.33	1
819	80.679	41.42	9.713	CA	14.24	1
820	81.959	41.274	8.903	CB	14.66	1
821	83.027	40.931	9.943	CG	17.48	1
822	82.653	41.578	11.219	CD	14.84	1
823	79.832	40.105	9.661	C	14.24	1
824	80.206	39.043	10.183	O	14.29	1
825	78.675	40.207	9.059	N	13.37	1
826	77.763	39.136	8.947	CA	12.09	1
827	76.392	39.641	9.45	CB	12.52	1
828	75.304	38.641	9.097	CG1	11.98	1
829	76.451	39.872	10.927	CG2	11.51	1
830	77.678	38.76	7.437	C	11.56	1
831	77.549	39.656	6.576	O	9.64	1
832	77.696	37.452	7.173	N	10.32	1
833	77.652	36.858	5.867	CA	10.79	1
834	78.936	36.054	5.553	CB	12.22	1
835	78.771	35.272	4.23	CG1	12.14	1
836	80.156	37.009	5.412	CG2	13.21	1
837	76.48	35.885	5.807	C	11.19	1
838	76.461	34.847	6.48	O	11.71	1
839	75.459	36.24	5.035	N	11.79	1
840	74.24	35.433	4.939	CA	11.41	1
841	73.055	36.347	4.722	CB	10.51	1
842	74.368	34.449	3.764	C	11.76	1
843	74.8	34.856	2.652	O	11.82	1
844	73.993	33.184	4.013	N	11.53	1
845	73.994	32.097	3.036	CA	12.73	1
846	74.982	31.005	3.473	CB	13.92	1
847	76.417	31.572	3.608	CG1	13.28	1
848	77.009	32.064	2.244	CD1	11.44	1
849	74.852	29.791	2.576	CG2	11.61	1
850	72.599	31.383	2.799	C	14.11	1
851	71.944	30.924	3.755	O	14.69	1
852	72.177	31.264	1.53	N	13.37	1
853	70.895	30.64	1.153	CA	12.94	1
854	70.024	31.604	0.314	CB	13.71	1
855	70.734	32.058	-0.838	OG	14.39	1
856	71.15	29.431	0.28	C	13.04	1
857	70.294	28.581	0.175	O	12.6	1
858	72.33	29.352	-0.333	N	13.28	1
859	72.599	28.283	-1.288	CA	15.39	1
860	72.64	26.934	-0.584	CB	15.68	1
861	73.807	26.758	0.389	CG	16.13	1
862	73.913	25.311	0.869	CD1	14.1	1
863	75.112	27.253	-0.281	CD2	13.43	1
864	71.527	28.287	-2.419	C	16.4	1
865	71.193	27.255	-2.996	O	16.55	1
866	71.02	29.479	-2.707	N	16.18	1
867	69.936	29.732	-3.637	CA	16.75	1
868	68.668	29.942	-2.801	CB	17.6	1
869	67.455	30.187	-3.595	CG	19.49	1
870	66.168	29.836	-2.824	CD	21.96	1
871	65.624	30.892	-1.963	NE	19.62	1
872	65.498	30.721	-0.668	CZ	22.58	1
873	65.892	29.57	-0.15	NH1	22.75	1
874	64.984	31.66	0.097	NH2	22.69	1
875	70.178	31.092	-4.326	C	16.68	1
876	70.504	32.089	-3.669	O	15.79	1
877	69.965	31.197	-5.62	N	17.08	1
878	69.812	32.573	-6.141	CA	17.87	1
879	70.421	32.741	-7.524	CB	18.14	1
880	69.858	31.732	-8.378	OG1	17.75	1
881	71.977	32.605	-7.462	CG2	15.55	1
882	68.297	32.862	-6.164	C	18.63	1
883	67.623	32.738	-7.21	O	19.89	1
884	67.749	33.202	-5.011	N	18.31	1
885	66.354	33.498	-4.875	CA	19.28	1
886	66.029	32.973	-3.502	C	22.93	1
887	64.913	33.108	-2.943	O	26.36	1
888	62.696	37.433	-2.632	N	26.35	1
889	62.425	36.241	-1.819	CA	27.68	1
890	61.58	35.238	-2.607	CB	29.32	1
891	60.109	35.693	-2.644	CG	35.44	1
892	59.191	34.551	-2.6	CD	41.76	1
893	58.835	34.061	-3.699	OE1	47.86	1
894	58.835	34.128	-1.476	OE2	45.02	1
895	63.606	35.516	-1.187	C	26.82	1
896	63.418	34.447	-0.604	O	25.86	1
897	64.799	36.115	-1.282	N	26.43	1
898	66.048	35.596	-0.739	CA	27.77	1
899	67.221	36.564	-1.067	CB	28.6	1
900	67.6	36.728	-2.593	CG	31.26	1
901	69.168	36.675	-2.826	CD	33.94	1
902	69.607	36.589	-4.336	CE	35	1
903	68.697	37.499	-5.118	NZ	39.86	1
904	66.048	35.39	0.772	C	26.16	1
905	66.788	34.543	1.256	O	27.19	1
906	65.291	36.193	1.526	N	24.07	1
907	65.359	36.168	2.992	CA	22.36	1
908	64.237	35.328	3.597	C	23.38	1
909	63.993	35.329	4.836	O	23.24	1
910	63.532	34.587	2.727	N	22.92	1
911	62.393	33.847	3.208	CA	23.06	1
912	61.137	34.142	2.37	CB	24.5	1
913	59.863	33.329	2.86	CG	29.96	1
914	59.211	33.871	4.212	CD	31.26	1
915	58.111	32.936	4.729	CE	26.42	1
916	58.494	31.558	4.639	NZ	20.84	1
917	62.701	32.34	3.387	C	22.15	1
918	63.397	31.693	2.584	O	20.81	1
919	62.226	31.83	4.513	N	21.07	1
920	62.362	30.427	4.9	CA	20.57	1
921	61.578	30.193	6.205	CB	20.88	1
922	61.441	28.768	6.764	CG	23.36	1
923	62.815	28.275	7.197	CD1	20.87	1
924	60.451	28.774	7.965	CD2	20.26	1
925	61.787	29.534	3.797	C	19.37	1
926	62.458	28.61	3.376	O	18.52	1
927	60.538	29.793	3.36	N	18.4	1
928	59.925	28.997	2.289	CA	17.79	1
929	58.679	28.393	2.816	CB	17.74	1
930	58.92	27.631	4.095	CG	20.51	1
931	59.823	26.761	4.194	OD1	18.85	1
932	58.101	27.942	5.097	ND2	20.95	1
933	59.592	29.786	1.031	C	17.8	1
934	58.514	30.346	0.937	O	17.76	1
935	60.512	29.835	0.06	N	17.5	1
936	60.357	30.732	-1.067	CA	17.7	1
937	61.762	30.779	-1.654	CB	17.03	1
938	62.277	29.443	-1.406	CG	17.54	1
939	61.766	29.064	-0.024	CD	18.33	1
940	59.444	30.13	-2.12	C	18.42	1
941	59.146	28.938	-2.076	O	18.68	1
942	59.045	30.98	-3.052	N	18.25	1
943	58.316	30.661	-4.236	CA	18.29	1
944	57.192	31.694	-4.363	CB	20.03	1
945	56.208	31.43	-3.347	OG1	24.24	1
946	56.547	31.7	-5.754	CG2	17.82	1
947	59.3	31.011	-5.346	C	18.77	1
948	59.664	32.204	-5.524	O	17.05	1
949	59.73	29.979	-6.079	N	18.87	1
950	60.773	30.068	-7.092	CA	19.16	1
951	61.876	29.071	-6.788	CB	19.79	1
952	62.439	29.166	-5.372	CG	20.51	1
953	63.452	28.043	-5.085	CD1	18.05	1
954	63.116	30.544	-5.306	CD2	20.67	1
955	60.213	29.701	-8.421	C	19.27	1
956	59.478	28.748	-8.543	O	20.94	1
957	60.635	30.41	-9.441	N	20.15	1
958	60.103	30.261	-10.773	CA	20.79	1
959	59.989	31.677	-11.414	CB	21.19	1
960	59.171	31.576	-12.572	OG1	30.63	1
961	61.325	32.207	-11.865	CG2	19.72	1
962	60.99	29.302	-11.601	C	20.11	1
963	60.53	28.671	-12.586	O	20.96	1
964	62.257	29.174	-11.192	N	18.39	1
965	63.154	28.185	-11.736	CA	17.44	1
966	64.021	28.791	-12.805	CB	17.22	1
967	64.652	27.747	-13.709	CG	20.39	1
968	64.735	26.545	-13.328	OD1	20.5	1
969	65.087	28.132	-14.819	OD2	21.65	1
970	64.006	27.602	-10.568	C	17.94	1
971	65.23	27.926	-10.384	O	16.28	1
972	63.312	26.801	-9.754	N	17.22	1
973	63.879	26.073	-8.594	CA	18.49	1
974	62.933	24.911	-8.31	CB	20.61	1
975	62.352	24.827	-6.938	CG	26.94	1
976	61.746	23.452	-6.673	CD	33.92	1
977	61.714	22.589	-7.597	OE1	33.53	1
978	61.314	23.245	-5.512	OE2	40.2	1
979	65.228	25.425	-8.888	C	17.52	1
980	66.2	25.546	-8.136	O	18.17	1
981	65.306	24.732	-10.011	N	17.03	1
982	66.492	23.977	-10.334	CA	17.66	1
983	66.16	23.039	-11.499	CB	18.63	1
984	67.244	21.981	-11.747	CG	23.96	1
985	67.62	21.213	-10.807	OD1	25.47	1
986	67.703	21.908	-12.917	OD2	28.33	1
987	67.682	24.918	-10.664	C	16.5	1
988	68.811	24.692	-10.212	O	16.15	1
989	67.435	25.978	-11.438	N	15.51	1
990	68.474	26.988	-11.686	CA	15.68	1
991	68.063	27.916	-12.829	CB	16.31	1
992	69.129	28.922	-13.301	CG	18.62	1
993	68.397	30.101	-14.087	CD	20.76	1
994	69.349	31.141	-14.62	CE	23.09	1
995	70.354	30.416	-15.491	NZ	33.08	1
996	68.843	27.783	-10.404	C	13.36	1
997	69.999	27.97	-10.098	O	14.3	1
998	67.873	28.169	-9.619	N	10.8	1
999	68.201	28.823	-8.396	CA	11.77	1
1000	66.956	29.282	-7.704	CB	10.55	1
1001	69.089	27.988	-7.413	C	11.52	1
1002	70.023	28.509	-6.811	O	11.99	1
1003	68.818	26.695	-7.265	N	12.63	1
1004	69.638	25.842	-6.386	CA	12.01	1
1005	68.805	24.705	-5.852	CB	13.52	1
1006	67.785	25.184	-4.795	CG	13.81	1
1007	68.208	25.822	-3.646	CD1	14.19	1
1008	67.327	26.228	-2.656	CE1	10.99	1
1009	66.011	25.995	-2.806	CZ	13.41	1
1010	65.148	26.434	-1.848	OH	14.08	1
1011	65.532	25.366	-3.956	CE2	14.2	1
1012	66.434	25.001	-4.961	CD2	11.91	1
1013	70.892	25.336	-7.034	C	11.75	1
1014	71.915	25.145	-6.336	O	13.35	1
1015	70.899	25.175	-8.35	N	10.3	1
1016	72.194	24.964	-9.013	CA	11.72	1
1017	72.029	24.533	-10.485	CB	12.44	1
1018	71.321	23.172	-10.594	CG	18.17	1
1019	71.258	22.394	-9.587	OD1	19.08	1
1020	70.783	22.866	-11.797	ND2	14.66	1
1021	73.15	26.181	-8.874	C	10.87	1
1022	74.285	26.065	-8.353	O	10.12	1
1023	72.71	27.344	-9.336	N	9.9	1
1024	73.583	28.515	-9.298	CA	10.59	1
1025	72.956	29.684	-10.091	CB	10.48	1
1026	72.915	29.382	-11.588	CG	15.05	1
1027	73.509	28.351	-12	OD1	19.89	1
1028	72.316	30.129	-12.368	OD2	19.45	1
1029	73.844	28.889	-7.843	C	10.87	1
1030	74.948	29.404	-7.499	O	10.47	1
1031	72.831	28.635	-6.994	N	8.88	1
1032	72.928	29.02	-5.638	CA	10.84	1
1033	73.942	28.226	-4.845	C	12.47	1
1034	74.629	28.789	-4.018	O	10.84	1
1035	74.018	26.911	-5.086	N	14.53	1
1036	74.947	26.079	-4.369	CA	15.87	1
1037	74.633	24.657	-4.711	CB	16.47	1
1038	75.666	23.576	-4.468	CG	17.73	1
1039	75.962	23.445	-2.995	CD1	19.11	1
1040	74.978	22.336	-4.942	CD2	21.12	1
1041	76.358	26.408	-4.793	C	17.19	1
1042	77.303	26.425	-3.978	O	17.3	1
1043	76.52	26.659	-6.094	N	18.59	1
1044	77.859	26.988	-6.678	CA	18.9	1
1045	77.739	27.001	-8.198	CB	19.51	1
1046	78.929	27.532	-8.938	CG	21.43	1
1047	78.625	27.611	-10.438	CD	23.54	1
1048	79.902	27.243	-11.25	CE	25.41	1
1049	80.935	28.211	-10.932	NZ	27.63	1
1050	78.385	28.359	-6.19	C	18.08	1
1051	79.551	28.542	-5.854	O	19.07	1
1052	77.507	29.335	-6.178	N	17.59	1
1053	77.828	30.68	-5.697	CA	17.94	1
1054	76.66	31.583	-6.027	CB	17.72	1
1055	76.618	32.794	-5.207	CG	25.65	1
1056	75.811	33.934	-5.901	CD	31.6	1
1057	74.578	34.007	-5.814	OE1	32.59	1
1058	76.535	34.836	-6.563	NE2	34.9	1
1059	78.135	30.684	-4.188	C	16.23	1
1060	79.045	31.355	-3.732	O	15.97	1
1061	77.44	29.816	-3.454	N	14.91	1
1062	77.551	29.714	-2.024	CA	12.74	1
1063	78.864	29.103	-1.625	C	12.71	1
1064	79.547	29.604	-0.699	O	12.08	1
1065	79.228	28.043	-2.33	N	11.76	1
1066	80.478	27.408	-2.064	CA	12.07	1
1067	80.606	26.006	-2.747	CB	12.8	1
1068	79.601	25.034	-2.112	CG1	10.65	1
1069	79.535	23.704	-2.802	CD1	12.03	1
1070	82.004	25.441	-2.594	CG2	9.17	1
1071	81.607	28.352	-2.421	C	12.74	1
1072	82.612	28.435	-1.703	O	13.6	1
1073	81.419	29.133	-3.464	N	13.02	1
1074	82.445	30.094	-3.827	CA	14.88	1
1075	82.223	30.653	-5.242	CB	15.02	1
1076	82.629	29.636	-6.357	CG	18.58	1
1077	81.999	29.955	-7.72	CD	26.86	1
1078	81.283	30.98	-7.83	OE1	34.95	1
1079	82.202	29.198	-8.704	OE2	32.9	1
1080	82.619	31.206	-2.815	C	14.05	1
1081	83.752	31.597	-2.541	O	14.61	1
1082	81.514	31.703	-2.236	N	14.54	1
1083	81.554	32.759	-1.204	CA	13.98	1
1084	80.131	33.158	-0.925	CB	14.22	1
1085	79.937	34.223	0.126	CG	15.39	1
1086	80.724	35.499	-0.328	CD1	16.49	1
1087	78.43	34.512	0.239	CD2	11.26	1
1088	82.245	32.247	0.11	C	14.63	1
1089	83.191	32.875	0.645	O	12.86	1
1090	81.829	31.046	0.562	N	13.91	1
1091	82.399	30.473	1.761	CA	13.75	1
1092	81.68	29.172	2.184	CB	13.24	1
1093	80.208	29.488	2.455	CG1	14.46	1
1094	79.262	28.259	2.523	CD1	14.98	1
1095	82.302	28.627	3.388	CG2	11.93	1
1096	83.878	30.226	1.492	C	14.24	1
1097	84.77	30.552	2.325	O	15.37	1
1098	84.161	29.698	0.315	N	13.41	1
1099	85.553	29.388	-0.006	CA	14.08	1
1100	85.699	28.682	-1.367	CB	13.41	1
1101	86.42	30.65	0.005	C	14.16	1
1102	87.584	30.596	0.414	O	15.59	1
1103	85.884	31.747	-0.511	N	14.37	1
1104	86.612	32.985	-0.587	CA	15.78	1
1105	85.846	33.991	-1.427	CB	16.59	1
1106	86.326	35.413	-1.286	CG	18.66	1
1107	85.504	36.348	-2.14	CD	25.4	1
1108	84.379	35.966	-2.582	OE1	31.7	1
1109	85.939	37.485	-2.361	OE2	27.64	1
1110	86.811	33.59	0.791	C	16.15	1
1111	87.864	34.162	1.045	O	16.85	1
1112	85.805	33.483	1.684	N	16.48	1
1113	85.95	34.046	3.031	CA	15.28	1
1114	84.722	33.858	3.823	CB	15.68	1
1115	84.999	34.178	5.275	CG1	16.95	1
1116	83.641	34.74	3.274	CG2	13.08	1
1117	87.106	33.315	3.728	C	15.83	1
1118	87.951	33.927	4.421	O	15.82	1
1119	87.187	32.014	3.477	N	15.29	1
1120	88.108	31.195	4.202	CA	16.26	1
1121	87.504	29.815	4.48	CB	16.59	1
1122	86.497	29.777	5.608	CG	16.9	1
1123	86.857	30.097	6.895	CD1	16.17	1
1124	85.905	30.046	7.935	CE1	14.6	1
1125	84.597	29.66	7.684	CZ	14.87	1
1126	84.244	29.284	6.427	CE2	14.44	1
1127	85.178	29.351	5.379	CD2	16.86	1
1128	89.447	31.038	3.457	C	16.55	1
1129	90.324	30.366	3.916	O	16.02	1
1130	89.617	31.624	2.285	N	19.67	1
1131	90.837	31.277	1.571	CA	23.05	1
1132	90.638	31.393	0.083	CB	25.33	1
1133	91.243	32.746	-0.493	CG	28.4	1
1134	91.132	32.894	-2.008	CD	26.08	1
1135	90.368	33.773	-2.531	OE1	13.7	1
1136	91.828	32.039	-2.61	OE2	33.02	1
1137	91.975	32.257	1.956	C	24.18	1
1138	91.766	33.495	1.999	O	24.79	1
1139	89.758	28.228	-1.857	N	18.66	1
1140	89.305	28.522	-3.254	CA	20.37	1
1141	89.902	29.803	-3.814	CB	21.01	1
1142	89.785	29.859	-5.341	CG	23.37	1
1143	90.296	31.209	-5.854	CD	28.56	1
1144	89.412	31.8	-6.968	CE	29.86	1
1145	89.524	31.069	-8.25	NZ	34.83	1
1146	89.594	27.394	-4.268	C	19.37	1
1147	88.684	26.841	-4.866	O	17.67	1
1148	90.872	27.046	-4.422	N	20.39	1
1149	91.271	25.725	-4.962	CA	20.92	1
1150	92.654	25.365	-4.402	CB	22.15	1
1151	92.67	24.576	-2.938	CG	26.23	1
1152	92.547	25.426	-1.607	CD	20.53	1
1153	92.61	26.637	-1.613	OE1	31.79	1
1154	92.411	24.771	-0.528	NE2	12.48	1
1155	90.232	24.633	-4.569	C	19.93	1
1156	89.473	24.075	-5.413	O	18.27	1
1157	90.165	24.354	-3.269	N	19.56	1
1158	89.265	23.299	-2.771	CA	19.65	1
1159	89.539	22.993	-1.315	CB	19.21	1
1160	88.595	21.876	-0.772	CG	24.51	1
1161	89.346	20.724	-0.125	CD	25.93	1
1162	90.268	20.147	-0.746	OE1	32.18	1
1163	88.955	20.362	1.093	NE2	20.93	1
1164	87.752	23.555	-3.033	C	19.49	1
1165	86.983	22.61	-3.273	O	21.22	1
1166	87.314	24.809	-3.031	N	19.06	1
1167	85.918	25.124	-3.324	CA	18.65	1
1168	85.593	24.811	-4.783	C	19.28	1
1169	84.458	24.389	-5.122	O	20.07	1
1170	86.57	25.008	-5.667	N	18.84	1
1171	86.353	24.776	-7.09	CA	18.86	1
1172	87.445	25.421	-7.947	CB	19.21	1
1173	87.304	26.935	-8.041	CG	21.08	1
1174	86.207	27.471	-7.776	OD1	24.68	1
1175	88.308	27.616	-8.361	OD2	24.33	1
1176	86.3	23.29	-7.387	C	19.18	1
1177	85.527	22.866	-8.245	O	20.52	1
1178	87.09	22.486	-6.675	N	19.22	1
1179	87.006	21.046	-6.784	CA	19.24	1
1180	88.132	20.385	-5.975	CB	20.51	1
1181	89.529	20.626	-6.556	CG	23.12	1
1182	90.664	20.426	-5.529	CD	26.54	1
1183	90.378	20.211	-4.312	OE1	32.5	1
1184	91.86	20.513	-5.931	OE2	30.79	1
1185	85.684	20.609	-6.196	C	18.28	1
1186	85.072	19.583	-6.608	O	17.69	1
1187	85.219	21.358	-5.204	N	16.11	1
1188	84.053	20.846	-4.511	CA	15.66	1
1189	83.933	21.445	-3.108	CB	15.4	1
1190	82.719	20.977	-2.306	CG	16.59	1
1191	82.931	19.489	-2.027	CD1	16.1	1
1192	82.489	21.781	-1.002	CD2	14.39	1
1193	82.795	21.076	-5.379	C	15	1
1194	81.93	20.228	-5.449	O	14.61	1
1195	82.743	22.211	-6.067	N	15.05	1
1196	81.646	22.518	-6.993	CA	16.44	1
1197	81.815	23.949	-7.564	CB	16.82	1
1198	80.8	24.253	-8.641	CG1	16.31	1
1199	81.725	24.951	-6.451	CG2	16.27	1
1200	81.649	21.582	-8.188	C	16.8	1
1201	80.589	21.149	-8.655	O	16.84	1
1202	82.85	21.276	-8.674	N	17.07	1
1203	83.007	20.376	-9.791	CA	19.1	1
1204	84.44	20.475	-10.345	CB	20.65	1
1205	84.747	19.645	-11.6	CG	23.71	1
1206	86.234	19.831	-11.999	CD	28.07	1
1207	86.584	19.371	-13.476	CE	31.47	1
1208	87.105	17.968	-13.587	NZ	33.06	1
1209	82.625	18.941	-9.382	C	17.71	1
1210	82.112	18.144	-10.202	O	17.31	1
1211	82.816	18.624	-8.098	N	16.64	1
1212	82.415	17.308	-7.602	CA	14.05	1
1213	83.049	17.037	-6.26	CB	14.5	1
1214	80.879	17.177	-7.541	C	13.22	1
1215	80.305	16.123	-7.882	O	11.83	1
1216	80.231	18.267	-7.135	N	11.37	1
1217	78.825	18.25	-6.847	CA	11.07	1
1218	78.369	19.624	-6.279	CB	11.66	1
1219	78.004	17.898	-8.092	C	11.51	1
1220	76.943	17.253	-7.96	O	12.79	1
1221	78.463	18.365	-9.25	N	10.67	1
1222	77.766	18.264	-10.51	CA	12.97	1
1223	77.779	19.617	-11.274	CB	13.73	1
1224	77.141	20.717	-10.5	CG	17.12	1
1225	75.76	20.918	-10.571	CD1	14.7	1
1226	75.179	21.866	-9.825	CE1	14.21	1
1227	75.943	22.662	-8.98	CZ	14.84	1
1228	77.312	22.509	-8.926	CE2	17.06	1
1229	77.908	21.517	-9.647	CD2	17.05	1
1230	78.325	17.182	-11.464	C	12.51	1
1231	77.816	17.014	-12.549	O	12.12	1
1232	79.356	16.46	-11.069	N	12.81	1
1233	80.006	15.556	-12.022	CA	14.56	1
1234	81.361	15.085	-11.466	CB	15.33	1
1235	79.189	14.333	-12.456	C	14.21	1
1236	79.556	13.657	-13.393	O	15.95	1
1237	78.115	14.028	-11.761	N	14.49	1
1238	77.317	12.837	-12.048	CA	14.07	1
1239	77.123	12.047	-10.768	CB	13.48	1
1240	78.392	11.463	-10.322	CG	16.54	1
1241	79.306	11.269	-11.156	OD1	20.55	1
1242	78.513	11.167	-9.03	ND2	18.12	1
1243	75.957	13.199	-12.634	C	13.5	1
1244	75.131	12.335	-12.833	O	13.68	1
1245	75.757	14.471	-12.936	N	13.53	1
1246	74.435	14.995	-13.255	CA	15.41	1
1247	74.473	16.504	-12.917	CB	15.46	1
1248	73.213	17.244	-12.655	CG	18.18	1
1249	72.343	16.657	-11.591	CD	22.52	1
1250	72.137	17.5	-10.428	NE	24.86	1
1251	71.622	18.722	-10.413	CZ	24.62	1
1252	71.279	19.363	-11.518	NH1	29.43	1
1253	71.494	19.321	-9.267	NH2	24.67	1
1254	74.122	14.643	-14.773	C	15.77	1
1255	72.966	14.387	-15.152	O	14.71	1
1256	75.164	14.518	-15.591	N	15.71	1
1257	75.014	14.168	-16.982	CA	17.37	1
1258	76.327	14.459	-17.718	CB	18.9	1
1259	76.371	13.973	-19.124	CG	21	1
1260	75.769	15.004	-20.148	CD	27.63	1
1261	76.227	14.644	-21.614	CE	28.13	1
1262	77.523	13.802	-21.555	NZ	31.3	1
1263	74.588	12.708	-17.181	C	18.2	1
1264	73.677	12.398	-17.989	O	18.32	1
1265	75.217	11.813	-16.436	N	18.49	1
1266	74.82	10.405	-16.396	CA	19.89	1
1267	75.699	9.696	-15.357	CB	21.12	1
1268	75.321	8.261	-14.935	CG	23.25	1
1269	75.71	7.297	-16.067	CD1	20.5	1
1270	76.059	7.909	-13.641	CD2	21.93	1
1271	73.326	10.223	-16.008	C	19.45	1
1272	72.52	9.546	-16.675	O	20.26	1
1273	72.931	10.877	-14.944	N	18.34	1
1274	71.566	10.706	-14.5	CA	17.79	1
1275	71.336	11.336	-13.122	CB	17.93	1
1276	72.303	10.808	-12.055	CG	16.95	1
1277	71.929	11.504	-10.752	CD1	17.18	1
1278	72.189	9.28	-11.958	CD2	12.31	1
1279	70.639	11.287	-15.533	C	16.95	1
1280	69.614	10.674	-15.834	O	17.19	1
1281	70.984	12.443	-16.102	N	16.04	1
1282	70.101	13.031	-17.125	CA	15.94	1
1283	70.591	14.427	-17.579	CB	14.31	1
1284	69.946	12.057	-18.334	C	16.78	1
1285	68.876	11.933	-18.882	O	18.54	1
1286	71.006	11.352	-18.703	N	16.77	1
1287	70.937	10.392	-19.79	CA	19.25	1
1288	72.348	9.994	-20.265	CB	20.08	1
1289	73.029	11.118	-21.001	CG	24.56	1
1290	72.305	12.04	-21.478	OD1	28.08	1
1291	74.28	11.085	-21.077	OD2	27.3	1
1292	70.177	9.108	-19.498	C	18.7	1
1293	69.34	8.696	-20.305	O	20.21	1
1294	70.492	8.434	-18.403	N	17.21	1
1295	69.911	7.161	-18.188	CA	17.2	1
1296	70.706	6.394	-17.128	CB	19.63	1
1297	72.244	6.319	-17.436	CG	21.05	1
1298	72.694	4.953	-17.892	CD	20.87	1
1299	74.159	4.835	-17.988	NE	20.07	1
1300	74.888	4.003	-17.266	CZ	20.55	1
1301	74.312	3.219	-16.34	NH1	22.18	1
1302	76.202	3.971	-17.445	NH2	20.51	1
1303	68.484	7.282	-17.77	C	16.53	1
1304	67.76	6.301	-17.885	O	18.77	1
1305	68.026	8.463	-17.341	N	15.94	1
1306	66.62	8.632	-16.977	CA	15.89	1
1307	66.459	9.079	-15.519	CB	16	1
1308	67.075	8.035	-14.567	CG	18.84	1
1309	67.346	8.538	-13.117	CD1	16.73	1
1310	66.207	6.773	-14.563	CD2	17.57	1
1311	65.848	9.551	-17.897	C	16.5	1
1312	64.698	9.865	-17.638	O	17.12	1
1313	66.44	9.947	-19.021	N	17.95	1
1314	65.801	10.941	-19.923	CA	18.03	1
1315	64.461	10.538	-20.527	C	18.93	1
1316	63.613	11.399	-20.859	O	19.96	1
1317	64.23	9.238	-20.623	N	19.23	1
1318	62.985	8.688	-21.163	CA	19.49	1
1319	63.293	7.361	-21.836	CB	20.01	1
1320	63.924	6.368	-20.877	CG	25.16	1
1321	64.918	6.714	-20.174	OD1	27.79	1
1322	63.428	5.224	-20.806	OD2	27.64	1
1323	61.94	8.41	-20.086	C	18.96	1
1324	60.869	7.915	-20.403	O	19.21	1
1325	62.223	8.699	-18.812	N	18.94	1
1326	61.226	8.449	-17.773	CA	18.29	1
1327	61.841	8.424	-16.367	CB	19.06	1
1328	60.747	8.475	-15.33	CG1	19.54	1
1329	62.625	7.141	-16.183	CG2	19.18	1
1330	60.075	9.448	-17.831	C	18.51	1
1331	60.21	10.629	-17.498	O	18.53	1
1332	58.908	8.986	-18.227	N	17.83	1
1333	57.873	9.932	-18.478	CA	18.36	1
1334	56.909	9.408	-19.551	CB	18.7	1
1335	56.092	8.406	-18.973	OG	19.79	1
1336	57.136	10.274	-17.192	C	18.29	1
1337	57.158	9.522	-16.203	O	18.94	1
1338	56.429	11.385	-17.235	N	18.66	1
1339	55.858	11.95	-16.059	CA	20.1	1
1340	55.192	13.246	-16.403	CB	20.6	1
1341	54.86	11.013	-15.41	C	21.15	1
1342	54.726	10.996	-14.187	O	21.9	1
1343	54.11	10.245	-16.199	N	22.77	1
1344	53.25	9.244	-15.566	CA	23.71	1
1345	52.136	8.752	-16.503	CB	25.4	1
1346	52.588	7.602	-17.397	CG	31.97	1
1347	53.334	7.891	-18.375	OD1	39.4	1
1348	52.229	6.407	-17.118	OD2	37.24	1
1349	54.031	8.059	-14.946	C	22.51	1
1350	53.487	7.366	-14.147	O	20.86	1
1351	55.296	7.831	-15.292	N	23.06	1
1352	56.027	6.705	-14.654	CA	24.77	1
1353	56.663	5.77	-15.711	CB	25.27	1
1354	55.561	4.761	-16.243	CG	29.01	1
1355	55.853	4.148	-17.633	CD	32.98	1
1356	56.65	2.791	-17.541	CE	36.35	1
1357	56.472	1.979	-18.795	NZ	35.71	1
1358	56.998	7.088	-13.561	C	23.28	1
1359	57.609	6.249	-12.947	O	23.5	1
1360	57.122	8.385	-13.308	N	22.08	1
1361	58.039	8.862	-12.318	CA	20.38	1
1362	57.978	10.391	-12.331	CB	21.1	1
1363	59.285	11.093	-12.129	CG	18.95	1
1364	59.082	12.616	-12.407	CD	19.07	1
1365	59.863	13.055	-13.546	NE	13.84	1
1366	61.172	13.198	-13.506	CZ	13.08	1
1367	61.837	12.997	-12.356	NH1	12.92	1
1368	61.808	13.566	-14.601	NH2	12.04	1
1369	57.65	8.316	-10.947	C	19.14	1
1370	56.477	8.361	-10.571	O	17.11	1
1371	58.626	7.823	-10.176	N	18.53	1
1372	58.289	7.153	-8.898	CA	17.78	1
1373	59.461	6.326	-8.381	CB	19.51	1
1374	59.02	5.479	-7.173	CG1	16.94	1
1375	60.049	5.435	-9.508	CG2	17.23	1
1376	57.782	8.127	-7.8	C	18.35	1
1377	58.527	9.003	-7.324	O	17.93	1
1378	56.498	8.034	-7.451	N	17.9	1
1379	55.914	8.95	-6.483	CA	16.99	1
1380	54.407	8.817	-6.452	CB	17.41	1
1381	53.768	9.434	-7.686	CG	20.26	1
1382	52.251	9.265	-7.791	CD	22.13	1
1383	51.523	9.72	-6.608	NE	26.08	1
1384	51.188	10.981	-6.309	CZ	25.25	1
1385	51.508	12.027	-7.087	NH1	25.31	1
1386	50.514	11.188	-5.194	NH2	23.52	1
1387	56.508	8.709	-5.093	C	17.7	1
1388	56.308	7.64	-4.479	O	16.12	1
1389	57.2	9.741	-4.592	N	17.52	1
1390	58.074	9.607	-3.444	CA	17.96	1
1391	59.514	9.763	-3.87	CB	19.1	1
1392	59.866	8.658	-4.716	OG1	21.47	1
1393	60.399	9.74	-2.652	CG2	21.79	1
1394	57.745	10.599	-2.329	C	16.41	1
1395	57.308	11.693	-2.559	O	16.86	1
1396	57.93	10.198	-1.1	N	15.81	1
1397	57.506	11.042	-0.013	CA	16.22	1
1398	56.192	10.552	0.597	CB	16.44	1
1399	55.819	11.275	1.867	CG	18.51	1
1400	55.015	12.427	1.828	CD1	19.94	1
1401	54.639	13.105	2.961	CE1	16.31	1
1402	55.063	12.666	4.152	CZ	17.61	1
1403	54.713	13.395	5.236	OH	19.61	1
1404	55.889	11.545	4.262	CE2	19.17	1
1405	56.274	10.853	3.101	CD2	19.64	1
1406	58.632	11.093	1.018	C	15.74	1
1407	59.301	10.098	1.305	O	13.87	1
1408	58.873	12.29	1.522	N	16.65	1
1409	59.905	12.475	2.494	CA	17.73	1
1410	60.705	13.702	2.122	CB	18.5	1
1411	61.713	14.121	3.198	CG	23.53	1
1412	62.862	12.81	3.69	SD	30.86	1
1413	63.816	12.8	2.201	CE	27.54	1
1414	59.26	12.62	3.896	C	17.33	1
1415	58.52	13.574	4.16	O	17.53	1
1416	59.54	11.667	4.78	N	16.89	1
1417	59.007	11.7	6.155	CA	17.11	1
1418	58.589	10.315	6.595	CB	17.79	1
1419	59.961	12.295	7.212	C	16.72	1
1420	60.974	11.684	7.585	O	13.36	1
1421	59.602	13.468	7.718	N	17.85	1
1422	60.428	14.067	8.741	CA	20.48	1
1423	60.716	15.538	8.441	CB	19.64	1
1424	62.059	15.739	7.764	CG	23.65	1
1425	62.733	16.774	7.973	OD1	28.89	1
1426	62.488	14.764	6.986	ND2	22.5	1
1427	59.761	13.866	10.083	C	21.56	1
1428	58.593	13.488	10.163	O	22.34	1
1429	60.5	14.117	11.162	N	22.87	1
1430	59.87	13.884	12.471	CA	22.99	1
1431	60.921	14.392	13.463	CB	22.81	1
1432	62.23	14.262	12.723	CG	23.81	1
1433	61.92	14.523	11.264	CD	22.56	1
1434	58.583	14.652	12.6	C	23.23	1
1435	58.531	15.784	12.16	O	24.19	1
1436	57.563	14.046	13.208	N	24.37	1
1437	56.279	14.726	13.571	CA	25.31	1
1438	56.494	16.016	14.397	CB	26.87	1
1439	57.407	15.806	15.587	CG	33.26	1
1440	57.21	14.776	16.294	OD1	37.88	1
1441	58.341	16.656	15.819	OD2	40.26	1
1442	55.412	15.097	12.375	C	24.1	1
1443	54.89	16.217	12.319	O	24.26	1
1444	55.227	14.169	11.44	N	22.54	1
1445	54.466	14.456	10.221	CA	20.25	1
1446	52.973	14.447	10.476	CB	21.71	1
1447	52.439	12.971	10.487	CG	23.83	1
1448	50.957	12.895	10.687	CD1	25.4	1
1449	52.729	12.287	9.198	CD2	26.68	1
1450	54.937	15.711	9.485	C	18.71	1
1451	54.159	16.386	8.782	O	17.15	1
1452	56.23	15.995	9.639	N	16.92	1
1453	56.88	16.988	8.799	CA	16.88	1
1454	57.25	16.498	7.396	C	16.46	1
1455	57.803	15.405	7.212	O	15.35	1
1456	56.969	17.317	6.396	N	16.44	1
1457	57.52	17.003	5.086	CA	17.37	1
1458	56.497	16.257	4.228	CB	17.97	1
1459	57.197	15.53	3.229	OG1	17.92	1
1460	55.526	17.222	3.649	CG2	16.27	1
1461	57.989	18.254	4.37	C	17.32	1
1462	57.758	19.361	4.884	O	18.34	1
1463	58.665	18.112	3.226	N	16.24	1
1464	59.025	19.288	2.403	CA	16.33	1
1465	60.453	19.181	1.917	CB	17.8	1
1466	61.484	19.12	3.002	CG	18.1	1
1467	62.168	20.252	3.356	CD1	17.45	1
1468	63.114	20.232	4.357	CE1	21	1
1469	63.43	19.047	4.997	CZ	20.58	1
1470	64.409	19.097	5.982	OH	22.62	1
1471	62.765	17.892	4.666	CE2	20.17	1
1472	61.78	17.93	3.658	CD2	17.57	1
1473	58.182	19.399	1.146	C	15.66	1
1474	58.047	18.433	0.442	O	16.6	1
1475	57.674	20.58	0.821	N	14.5	1
1476	56.96	20.758	-0.418	CA	13.21	1
1477	57.853	21.467	-1.414	C	14.95	1
1478	59.016	21.133	-1.556	O	14.97	1
1479	57.317	22.432	-2.136	N	15.51	1
1480	58.041	23.06	-3.231	CA	13.58	1
1481	57.021	23.767	-4.115	CB	14.55	1
1482	56.321	24.66	-3.296	OG	15.81	1
1483	58.979	24.142	-2.73	C	11.99	1
1484	58.856	24.551	-1.596	O	11.39	1
1485	59.87	24.631	-3.601	N	10.86	1
1486	60.849	25.627	-3.225	CA	12.19	1
1487	62.006	25.009	-2.48	C	14.07	1
1488	62.824	25.731	-1.863	O	14.56	1
1489	62.081	23.655	-2.517	N	14.46	1
1490	63.089	22.906	-1.803	CA	14.18	1
1491	62.419	22.163	-0.682	CB	15.4	1
1492	61.743	23.111	0.294	CG	16.6	1
1493	62.784	23.958	0.985	CD	17.23	1
1494	62.115	25.029	1.857	CE	19.88	1
1495	63.107	26.004	2.426	NZ	18.45	1
1496	63.916	21.953	-2.661	C	14.35	1
1497	63.507	21.579	-3.713	O	15.72	1
1498	65.095	21.555	-2.211	N	15.33	1
1499	65.979	20.692	-3.028	CA	15.28	1
1500	67.431	20.821	-2.521	CB	16.64	1
1501	68.324	19.748	-3.057	CG	17.31	1
1502	68.769	19.79	-4.374	CD1	16.12	1
1503	69.547	18.768	-4.869	CE1	18.22	1
1504	69.896	17.723	-4.028	CZ	17.06	1
1505	70.672	16.704	-4.492	OH	21.4	1
1506	69.462	17.67	-2.741	CE2	15.5	1
1507	68.673	18.652	-2.263	CD2	13.88	1
1508	65.528	19.244	-2.966	C	13.81	1
1509	65.812	18.424	-3.839	O	14.55	1
1510	64.816	18.934	-1.902	N	13.67	1
1511	64.3	17.617	-1.68	CA	14.11	1
1512	63.233	17.648	-0.569	CB	15.24	1
1513	63.835	18.2	0.603	OG1	15.47	1
1514	62.703	16.211	-0.29	CG2	15.42	1
1515	63.61	17.11	-2.92	C	13.34	1
1516	63.87	16.03	-3.365	O	13	1
1517	62.724	17.924	-3.469	N	13.44	1
1518	61.969	17.536	-4.619	CA	13.75	1
1519	62.845	17.513	-5.853	C	14.87	1
1520	62.497	16.866	-6.873	O	14.25	1
1521	63.938	18.254	-5.813	N	14.75	1
1522	64.837	18.25	-6.96	CA	16.41	1
1523	65.737	19.514	-7.005	CB	15.82	1
1524	65.034	20.805	-7.446	CG	18.6	1
1525	65.905	22.093	-7.263	CD1	20.59	1
1526	64.561	20.694	-8.878	CD2	17.58	1
1527	65.693	16.995	-6.939	C	16.27	1
1528	65.927	16.41	-7.987	O	16.06	1
1529	66.193	16.605	-5.751	N	16.64	1
1530	66.963	15.38	-5.687	CA	18.77	1
1531	67.456	15.055	-4.246	CB	18.72	1
1532	67.755	13.583	-4.027	CG	20.85	1
1533	68.389	13.216	-2.386	SD	25.89	1
1534	70.038	13.86	-2.442	CE	23.27	1
1535	66.081	14.259	-6.302	C	17.75	1
1536	66.507	13.531	-7.214	O	18.22	1
1537	64.842	14.162	-5.871	N	16.67	1
1538	63.903	13.265	-6.563	CA	19.83	1
1539	62.527	13.277	-5.889	CB	19.41	1
1540	62.594	12.775	-4.397	CG	20.79	1
1541	61.035	13.396	-3.771	SD	30.1	1
1542	60.896	12.828	-2.008	CE	21.36	1
1543	63.816	13.384	-8.117	C	18.22	1
1544	64.015	12.357	-8.827	O	19.53	1
1545	63.626	14.598	-8.657	N	16.68	1
1546	63.508	14.743	-10.104	CA	16.79	1
1547	63.202	16.156	-10.558	CB	16.91	1
1548	61.882	16.635	-10.108	CG	20.88	1
1549	61.727	18.16	-10.283	CD	24.43	1
1550	62.568	18.795	-10.962	OE1	27.13	1
1551	60.743	18.707	-9.739	OE2	24.74	1
1552	64.731	14.223	-10.823	C	15.6	1
1553	64.612	13.527	-11.803	O	17.32	1
1554	65.91	14.535	-10.352	N	15.04	1
1555	67.092	13.98	-11.002	CA	15.41	1
1556	68.332	14.759	-10.523	CB	14.97	1
1557	68.338	16.208	-10.961	CG	18.25	1
1558	67.688	17.213	-10.256	ND1	17.38	1
1559	67.874	18.37	-10.87	CE1	11.53	1
1560	68.623	18.158	-11.945	NE2	14.28	1
1561	68.905	16.814	-12.043	CD2	14.69	1
1562	67.217	12.428	-10.827	C	14.54	1
1563	68.036	11.768	-11.462	O	14.94	1
1564	66.387	11.818	-9.997	N	13.82	1
1565	66.597	10.415	-9.768	CA	13.98	1
1566	66.908	10.112	-8.234	CB	14.29	1
1567	65.342	9.672	-10.269	C	13.99	1
1568	65.05	8.535	-9.855	O	13.77	1
1569	64.607	10.321	-11.168	N	13.22	1
1570	63.502	9.654	-11.861	CA	13.15	1
1571	62.315	9.504	-10.948	C	13.95	1
1572	61.403	8.648	-11.186	O	15.28	1
1573	62.263	10.339	-9.917	N	12.44	1
1574	61.113	10.29	-9.066	CA	12.59	1
1575	61.518	9.759	-7.63	CB	14.03	1
1576	60.413	11.614	-8.974	C	12.92	1
1577	60.685	12.558	-9.751	O	10.9	1
1578	59.497	11.689	-8.01	N	13.11	1
1579	58.745	12.917	-7.775	CA	13.89	1
1580	57.581	13.037	-8.793	CB	15.75	1
1581	56.596	14.092	-8.426	CG	16.62	1
1582	56.932	15.418	-8.524	CD1	19.75	1
1583	56.063	16.414	-8.194	CE1	19.08	1
1584	54.828	16.074	-7.735	CZ	22.12	1
1585	53.933	17.101	-7.385	OH	22.33	1
1586	54.47	14.733	-7.625	CE2	19.79	1
1587	55.356	13.766	-7.954	CD2	18.68	1
1588	58.186	12.998	-6.351	C	13.4	1
1589	57.716	11.995	-5.769	O	12.68	1
1590	58.187	14.214	-5.817	N	14.11	1
1591	57.812	14.492	-4.429	CA	14.12	1
1592	58.562	15.727	-3.889	CB	14.51	1
1593	58.137	16.091	-2.488	CG	17.3	1
1594	57.352	15.373	-1.865	OD1	23.48	1
1595	58.613	17.232	-1.992	ND2	21.06	1
1596	56.32	14.75	-4.415	C	13.73	1
1597	55.854	15.833	-4.821	O	12.94	1
1598	55.555	13.756	-3.961	N	13.51	1
1599	54.107	13.932	-3.925	CA	14.22	1
1600	53.399	12.728	-3.321	CB	14.31	1
1601	53.667	11.496	-4.159	CG1	15.38	1
1602	53.87	12.485	-1.876	CG2	14.45	1
1603	53.68	15.193	-3.14	C	14.23	1
1604	52.615	15.695	-3.366	O	16.26	1
1605	54.476	15.7	-2.195	N	13.7	1
1606	53.934	16.745	-1.356	CA	13.88	1
1607	54.669	16.784	0.003	CB	13.79	1
1608	54.089	18.053	-2.072	C	14.39	1
1609	53.568	19.047	-1.645	O	14.95	1
1610	54.889	18.072	-3.13	N	16.51	1
1611	55.415	19.322	-3.655	CA	17.37	1
1612	56.687	19.077	-4.519	CB	17.07	1
1613	54.373	20.155	-4.42	C	18.86	1
1614	54.635	21.298	-4.751	O	20.59	1
1615	53.195	19.633	-4.7	N	20.29	1
1616	52.205	20.479	-5.373	CA	21.93	1
1617	51.388	19.669	-6.395	CB	22.11	1
1618	51.236	21.18	-4.41	C	22.1	1
1619	50.667	22.212	-4.785	O	21.99	1
1620	51.001	20.64	-3.199	N	22.18	1
1621	50.044	21.339	-2.311	CA	23.15	1
1622	48.862	20.475	-1.935	CB	23.49	1
1623	49.348	19.294	-1.306	OG1	26.87	1
1624	48.083	20.053	-3.203	CG2	23.71	1
1625	50.714	21.988	-1.079	C	22.78	1
1626	50.096	22.792	-0.386	O	23.05	1
1627	51.982	21.657	-0.84	N	22.07	1
1628	52.689	22.138	0.319	CA	22.33	1
1629	53.295	20.946	1.133	CB	22.84	1
1630	52.204	19.944	1.542	CG1	23.68	1
1631	50.978	20.612	2.181	CD1	18.99	1
1632	53.883	21.439	2.397	CG2	22.28	1
1633	53.81	23.103	-0.073	C	22.56	1
1634	54.636	22.813	-0.968	O	21.88	1
1635	53.891	24.234	0.627	N	23.19	1
1636	54.966	25.178	0.335	CA	23.47	1
1637	54.415	26.578	0.264	CB	24.01	1
1638	55.463	27.627	-0.03	CG	26.3	1
1639	54.852	29.03	0.186	CD	28.69	1
1640	55.75	30.078	-0.463	CE	28.42	1
1641	55.317	31.375	0.026	NZ	29.81	1
1642	56.15	25.093	1.319	C	23.05	1
1643	56.073	25.583	2.438	O	23.97	1
1644	57.248	24.471	0.906	N	21.6	1
1645	58.376	24.357	1.786	CA	21.31	1
1646	58.202	23.356	2.909	C	21.32	1
1647	57.475	22.383	2.752	O	20.18	1
1648	58.903	23.583	4.022	N	21.43	1
1649	58.854	22.695	5.125	CA	23.4	1
1650	60.14	22.777	5.914	CB	24.44	1
1651	60.257	21.732	6.969	CG	26.25	1
1652	60.381	20.395	6.621	CD1	24.49	1
1653	60.453	19.398	7.62	CE1	28.57	1
1654	60.383	19.737	8.996	CZ	28.62	1
1655	60.244	21.083	9.356	CE2	30.2	1
1656	60.186	22.083	8.324	CD2	28.64	1
1657	57.646	23.084	5.96	C	25.54	1
1658	57.512	24.235	6.368	O	26.36	1
1659	56.722	22.14	6.131	N	26.91	1
1660	55.426	22.389	6.778	CA	28.69	1
1661	54.357	22.916	5.794	CB	28.48	1
1662	54.075	24.454	5.953	CG	29.06	1
1663	53.425	25.186	4.7	CD	30.35	1
1664	52.133	24.433	4.061	CE	30.01	1
1665	51.524	24.957	2.717	NZ	19.15	1
1666	54.996	21.112	7.454	C	28.83	1
1667	55.57	20.044	7.223	O	29.59	1
1668	54.057	21.204	8.37	N	30	1
1669	53.608	19.972	9.028	CA	31.11	1
1670	53.421	20.15	10.537	CB	31.15	1
1671	53.28	18.825	11.259	CG	34.51	1
1672	52.328	18.865	12.446	CD	37.87	1
1673	51.359	19.626	12.461	OE1	42.73	1
1674	52.606	18.048	13.454	NE2	35.29	1
1675	52.298	19.541	8.345	C	30.3	1
1676	51.474	20.397	7.98	O	30.63	1
1677	52.104	18.241	8.156	N	28.86	1
1678	50.906	17.782	7.453	CA	27.86	1
1679	51.307	17.203	6.069	CB	28.14	1
1680	52.028	18.294	5.213	CG1	26.15	1
1681	52.218	15.941	6.22	CG2	22.89	1
1682	50.123	16.741	8.278	C	29.23	1
1683	50.671	16.105	9.215	O	28.54	1
1684	48.853	16.536	7.921	N	30.88	1
1685	48.068	15.374	8.431	CA	31.94	1
1686	46.574	15.598	8.241	CB	32.33	1
1687	46.315	15.991	6.913	OG	32.77	1
1688	48.393	14.05	7.754	C	32.21	1
1689	49.219	13.96	6.847	O	30.97	1
1690	47.716	13.018	8.224	N	33.66	1
1691	47.851	11.679	7.686	CA	34.47	1
1692	47.325	10.678	8.667	CB	35.24	1
1693	48.434	9.818	9.136	CG	37.02	1
1694	49.289	10.893	9.772	CD1	40.95	1
1695	47.87	8.758	10.108	CD2	34.72	1
1696	46.981	11.525	6.481	C	34.54	1
1697	47.343	10.841	5.536	O	34.43	1
1698	45.792	12.11	6.55	N	34.96	1
1699	44.899	12.08	5.391	CA	35.48	1
1700	43.632	12.933	5.601	CB	35.96	1
1701	42.343	12.104	5.754	CG	40.52	1
1702	42.283	10.862	4.812	CD	46.46	1
1703	42.639	10.981	3.597	OE1	49.37	1
1704	41.883	9.754	5.281	OE2	47.61	1
1705	45.659	12.5	4.14	C	34.3	1
1706	45.486	11.898	3.07	O	35.79	1
1707	46.492	13.541	4.272	N	33.06	1
1708	47.304	14.019	3.137	CA	31.87	1
1709	48.148	15.264	3.492	CB	32.52	1
1710	47.306	16.437	3.979	CG	32.89	1
1711	46.228	16.703	3.435	OD1	34.34	1
1712	47.802	17.152	5.013	ND2	31.06	1
1713	48.27	12.95	2.663	C	30.02	1
1714	48.593	12.913	1.5	O	30.18	1
1715	48.778	12.12	3.567	N	28.3	1
1716	49.751	11.117	3.161	CA	27.68	1
1717	50.697	10.725	4.324	CB	28.38	1
1718	51.914	9.908	3.794	CG1	27.86	1
1719	51.125	11.938	5.075	CG2	28.67	1
1720	49.079	9.874	2.561	C	26.83	1
1721	49.487	9.356	1.508	O	25.73	1
1722	48.023	9.422	3.236	N	27.17	1
1723	47.201	8.339	2.765	CA	27.23	1
1724	46.099	8.082	3.771	CB	27.19	1
1725	46.457	7.395	5.13	CG	28.59	1
1726	45.28	7.463	6.155	CD1	27.81	1
1727	46.907	5.993	5.015	CD2	27.88	1
1728	46.637	8.716	1.381	C	27.75	1
1729	46.659	7.922	0.441	O	27.93	1
1730	46.192	9.954	1.255	N	27.95	1
1731	45.666	10.499	0.035	CA	28.78	1
1732	45.243	11.909	0.349	CB	30.2	1
1733	44.262	12.512	-0.596	CG	37.68	1
1734	43.222	13.357	0.18	CD	49.44	1
1735	43.63	14.321	0.935	OE1	52.69	1
1736	41.996	13.042	0.052	OE2	51.13	1
1737	46.695	10.556	-1.091	C	28.64	1
1738	46.371	10.324	-2.26	O	28.59	1
1739	47.946	10.882	-0.769	N	28.23	1
1740	48.996	10.872	-1.798	CA	27.39	1
1741	50.192	11.738	-1.371	CB	27.63	1
1742	49.948	13.209	-1.298	CG	26.88	1
1743	49.251	13.984	-2.186	CD1	26.05	1
1744	49.26	15.299	-1.758	NE1	25.56	1
1745	49.979	15.385	-0.589	CE2	25.33	1
1746	50.432	14.091	-0.274	CD2	25.38	1
1747	51.189	13.904	0.88	CE3	25.7	1
1748	51.483	15.007	1.681	CZ3	26.47	1
1749	51.035	16.274	1.333	CH2	26.44	1
1750	50.28	16.486	0.204	CZ2	25.37	1
1751	49.523	9.479	-2.155	C	25.97	1
1752	50.056	9.257	-3.245	O	25.56	1
1753	49.434	8.578	-1.188	N	25.49	1
1754	49.779	7.181	-1.387	CA	24.95	1
1755	48.651	6.447	-2.119	CB	25.7	1
1756	48.555	4.998	-1.667	CG	30.49	1
1757	48.959	4.086	-2.374	OD1	38.09	1
1758	48.101	4.791	-0.44	ND2	37.42	1
1759	51.101	6.948	-2.106	C	23.08	1
1760	51.129	6.295	-3.146	O	23.13	1
1761	52.203	7.457	-1.539	N	22.28	1
1762	53.495	7.301	-2.208	CA	21.02	1
1763	54.484	7.98	-1.241	CB	20.64	1
1764	53.806	7.972	0.067	CG	20.75	1
1765	52.335	8.156	-0.233	CD	22.41	1
1766	53.883	5.834	-2.354	C	20.28	1
1767	53.602	5.014	-1.45	O	20.5	1
1768	54.558	5.53	-3.464	N	19.04	1
1769	55.143	4.2	-3.742	CA	17.78	1
1770	55.497	4.085	-5.23	CB	15.47	1
1771	56.406	4.018	-2.903	C	17.82	1
1772	56.806	2.882	-2.552	O	19.03	1
1773	57.062	5.139	-2.59	N	16.41	1
1774	58.299	5.049	-1.881	CA	15.77	1
1775	59.494	5.156	-2.85	CB	15.64	1
1776	60.81	5.241	-2.076	CG1	13.71	1
1777	59.475	3.949	-3.852	CG2	14.03	1
1778	58.328	6.122	-0.807	C	17.1	1
1779	57.866	7.253	-1.037	O	17.22	1
1780	58.888	5.789	0.355	N	16.69	1
1781	58.957	6.737	1.465	CA	16.53	1
1782	58.113	6.262	2.665	CB	16.89	1
1783	56.677	6.757	2.531	CG1	16.35	1
1784	55.704	6.092	3.486	CD1	13.78	1
1785	58.667	6.83	3.933	CG2	18.78	1
1786	60.42	6.867	1.903	C	16.68	1
1787	61.091	5.857	2.167	O	16.45	1
1788	60.95	8.091	1.937	N	16.02	1
1789	62.365	8.253	2.271	CA	15.76	1
1790	63.092	9.026	1.172	CB	16.44	1
1791	63.015	8.408	-0.239	CG	17.42	1
1792	63.669	9.337	-1.315	CD1	16.47	1
1793	63.68	7.035	-0.213	CD2	14.61	1
1794	62.526	8.937	3.605	C	15.57	1
1795	61.657	9.705	4.037	O	14.38	1
1796	63.611	8.607	4.294	N	16.27	1
1797	63.926	9.26	5.579	CA	17	1
1798	63.715	8.342	6.803	CB	18.82	1
1799	63.918	9.13	8.118	CG1	18.51	1
1800	62.337	7.604	6.764	CG2	18.69	1
1801	65.38	9.704	5.628	C	16.48	1
1802	66.292	9.006	5.193	O	16.39	1
1803	65.589	10.871	6.196	N	17.31	1
1804	66.929	11.398	6.332	CA	18.8	1
1805	66.857	12.905	6.571	CB	19.26	1
1806	65.922	13.637	5.628	CG	18.63	1
1807	65.839	15.122	5.977	CD	20.65	1
1808	65.979	15.534	7.158	OE1	18.79	1
1809	65.612	15.932	4.967	NE2	18.25	1
1810	67.705	10.71	7.466	C	19	1
1811	67.135	10.426	8.534	O	18.43	1
1812	68.987	10.449	7.207	N	19.66	1
1813	69.873	9.797	8.143	CA	21.55	1
1814	71.31	9.829	7.648	CB	21.67	1
1815	72.184	8.792	8.378	CG	25.51	1
1816	71.716	7.638	8.54	OD1	25.53	1
1817	73.338	9.117	8.795	OD2	28.18	1
1818	69.879	10.417	9.538	C	21.88	1
1819	70.139	9.7	10.557	O	23.27	1
1820	69.652	11.727	9.6	N	20.87	1
1821	69.744	12.443	10.867	CA	20.97	1
1822	69.93	13.94	10.633	CB	20.85	1
1823	68.801	14.559	9.842	CG	19.45	1
1824	68.983	16.072	9.675	CD	18.57	1
1825	68.032	16.614	8.723	NE	15.3	1
1826	68.059	17.85	8.266	CZ	14.79	1
1827	68.988	18.69	8.682	NH1	14.8	1
1828	67.155	18.245	7.395	NH2	13.59	1
1829	68.543	12.166	11.802	C	21.83	1
1830	68.606	12.476	12.993	O	21.12	1
1831	67.459	11.59	11.245	N	22.9	1
1832	66.225	11.263	11.999	CA	23.77	1
1833	65.065	12.102	11.514	CB	23.98	1
1834	65.319	13.583	11.541	CG	27.21	1
1835	65.845	14.192	12.677	CD1	27.53	1
1836	66.067	15.568	12.706	CE1	28.56	1
1837	65.759	16.333	11.594	CZ	28.05	1
1838	66.004	17.71	11.623	OH	31.18	1
1839	65.207	15.746	10.466	CE2	26.59	1
1840	64.984	14.399	10.437	CD2	25.36	1
1841	65.773	9.79	11.911	C	23.79	1
1842	64.633	9.545	11.643	O	22.95	1
1843	66.654	8.824	12.222	N	25.8	1
1844	66.397	7.403	11.954	CA	26.38	1
1845	67.678	6.709	12.456	CB	26.58	1
1846	68.282	7.676	13.491	CG	26.77	1
1847	67.95	9.046	12.936	CD	26.45	1
1848	65.148	6.839	12.657	C	27.32	1
1849	64.394	6.04	12.07	O	28.22	1
1850	64.871	7.282	13.872	N	27.89	1
1851	63.716	6.737	14.573	CA	29.23	1
1852	63.52	7.383	15.948	CB	30.34	1
1853	64.693	7.148	16.863	CG	32.92	1
1854	65.32	6.065	16.74	OD1	33.71	1
1855	64.987	8.046	17.694	OD2	35.9	1
1856	62.42	6.87	13.806	C	29.02	1
1857	61.409	6.199	14.172	O	30.74	1
1858	62.392	7.735	12.797	N	27.36	1
1859	61.158	7.869	12.019	CA	27.61	1
1860	61.253	8.996	10.957	CB	27.71	1
1861	59.914	9.176	10.237	CG1	27.7	1
1862	61.684	10.262	11.601	CG2	26.85	1
1863	60.761	6.538	11.319	C	27.68	1
1864	59.546	6.252	11.136	O	27.53	1
1865	61.761	5.724	10.944	N	27.08	1
1866	61.463	4.501	10.212	CA	27.53	1
1867	62.75	3.835	9.665	CB	27.91	1
1868	62.446	2.381	9.103	CG1	27.68	1
1869	63.416	4.714	8.646	CG2	24.77	1
1870	60.686	3.522	11.122	C	28.42	1
1871	59.557	3.091	10.805	O	28.59	1
1872	61.249	3.214	12.292	N	29.41	1
1873	60.568	2.262	13.188	CA	29.5	1
1874	61.428	2.267	14.45	CB	29.44	1
1875	62.838	2.761	13.96	CG	30.49	1
1876	62.494	3.77	12.871	CD	29.98	1
1877	59.216	2.814	13.551	C	30.04	1
1878	58.271	2.034	13.696	O	31.18	1
1879	59.098	4.13	13.729	N	29.66	1
1880	57.796	4.702	14.102	CA	30.53	1
1881	57.927	6.08	14.805	CB	29.52	1
1882	57.538	7.361	14.071	CG	32.51	1
1883	58.311	8.649	14.603	CD	36.74	1
1884	59.138	8.504	15.542	OE1	40.02	1
1885	58.076	9.892	13.976	NE2	31.4	1
1886	56.79	4.67	12.94	C	30.57	1
1887	55.59	4.641	13.162	O	31.57	1
1888	57.262	4.634	11.694	N	31.37	1
1889	56.354	4.417	10.54	CA	31.56	1
1890	57.019	4.782	9.211	CB	31.18	1
1891	57.234	6.279	9.145	CG1	33.87	1
1892	56.203	7.057	9.955	CD1	36.47	1
1893	56.144	4.39	8.088	CG2	32.46	1
1894	55.933	2.929	10.487	C	30.77	1
1895	54.753	2.614	10.565	O	30.86	1
1896	56.902	2.027	10.379	N	29.88	1
1897	56.631	0.579	10.486	CA	31.48	1
1898	57.951	-0.204	10.529	CB	31.26	1
1899	58.76	-0.315	9.223	CG	32.19	1
1900	58.856	1.025	8.573	CD1	34.08	1
1901	60.145	-0.918	9.446	CD2	31.97	1
1902	55.676	0.073	11.623	C	31.96	1
1903	54.994	-0.921	11.45	O	33.29	1
1904	55.608	0.735	12.768	N	32.55	1
1905	54.706	0.296	13.832	CA	34.02	1
1906	55.443	0.205	15.184	CB	34.44	1
1907	56.842	-0.42	15.045	CG	37.38	1
1908	57.047	-1.338	14.239	OD1	41.32	1
1909	57.812	0.09	15.805	ND2	38.48	1
1910	53.476	1.204	13.944	C	34.12	1
1911	52.609	0.989	14.776	O	34.24	1
1912	53.391	2.232	13.118	N	34.12	1
1913	52.184	3.018	13.145	CA	34.51	1
1914	52.473	4.451	12.793	CB	33.84	1
1915	51.368	5.375	13.217	CG	36.81	1
1916	50.166	4.977	13.189	OD1	36.51	1
1917	51.705	6.53	13.586	OD2	42.07	1
1918	51.17	2.372	12.171	C	34.85	1
1919	51.422	2.261	10.952	O	34.71	1
1920	50.042	1.908	12.712	N	34.51	1
1921	49.129	1.119	11.913	CA	33.85	1
1922	48.432	0.033	12.759	CB	35.48	1
1923	48.273	-1.298	11.953	CG	39.71	1
1924	48.473	-2.563	12.781	CD	43.92	1
1925	49.59	-3.129	12.835	OE1	43.53	1
1926	47.386	-3.027	13.43	NE2	43.98	1
1927	48.191	2.037	11.136	C	31.96	1
1928	47.567	1.638	10.16	O	31.83	1
1929	48.168	3.306	11.485	N	30.08	1
1930	47.533	4.271	10.582	CA	29.76	1
1931	48.25	4.462	9.242	C	29.27	1
1932	47.661	4.956	8.275	O	28.83	1
1933	49.522	4.079	9.174	N	29.81	1
1934	50.288	4.201	7.92	CA	31.45	1
1935	51.762	4.615	8.161	CB	31.17	1
1936	51.965	6.008	8.644	CG	32.15	1
1937	51.437	6.562	9.77	CD1	31.33	1
1938	51.861	7.855	9.9	NE1	31.2	1
1939	52.693	8.167	8.861	CE2	32.04	1
1940	52.798	7.017	8.052	CD2	32.35	1
1941	53.598	7.069	6.905	CE3	30.57	1
1942	54.252	8.246	6.604	CZ3	29.33	1
1943	54.137	9.375	7.438	CH2	30.59	1
1944	53.371	9.356	8.568	CZ2	31.22	1
1945	50.379	2.887	7.157	C	31.82	1
1946	51.249	2.765	6.289	O	32.9	1
1947	49.568	1.883	7.495	N	31.59	1
1948	49.772	0.543	6.886	CA	31.13	1
1949	49.152	-0.525	7.744	CB	30.82	1
1950	49.243	0.427	5.452	C	30.42	1
1951	49.725	-0.374	4.674	O	30.2	1
1952	48.243	1.219	5.104	N	30.64	1
1953	47.63	1.078	3.77	CA	31.26	1
1954	46.109	1.311	3.819	CB	32.1	1
1955	45.348	0.02	4.122	CG	38.01	1
1956	45.78	-0.816	4.962	OD1	37.58	1
1957	44.214	-0.183	3.401	ND2	45.32	1
1958	48.313	1.89	2.654	C	28.95	1
1959	47.854	1.909	1.503	O	29.15	1
1960	49.418	2.536	2.997	N	26.53	1
1961	50.182	3.268	2.02	CA	24.03	1
1962	51.144	4.237	2.731	CB	24.11	1
1963	50.361	5.273	3.551	CG1	23.35	1
1964	51.248	6.053	4.487	CD1	25.14	1
1965	52.056	4.931	1.743	CG2	23.71	1
1966	50.941	2.211	1.283	C	23.24	1
1967	51.384	1.216	1.884	O	24.51	1
1968	51.107	2.403	-0.016	N	22.23	1
1969	51.81	1.444	-0.846	CA	21.04	1
1970	51.856	1.923	-2.295	CB	21.97	1
1971	50.502	2.11	-2.87	CG	24.34	1
1972	49.784	0.773	-3.21	CD	28.21	1
1973	50.422	-0.315	-3.306	OE1	25.76	1
1974	48.444	0.861	-3.399	NE2	26.47	1
1975	53.206	1.206	-0.403	C	20.2	1
1976	53.663	0.074	-0.46	O	21.25	1
1977	53.915	2.263	-0.01	N	19.06	1
1978	55.28	2.128	0.46	CA	18.7	1
1979	55.893	3.536	0.863	CB	19.33	1
1980	55.351	1.175	1.64	C	18.46	1
1981	56.312	0.384	1.743	O	19.81	1
1982	54.381	1.235	2.547	N	18.02	1
1983	54.371	0.22	3.647	CA	20.19	1
1984	53.506	0.632	4.884	CB	19.38	1
1985	54.381	1.529	5.772	CG	21.16	1
1986	53.801	2.892	5.857	CD1	22.17	1
1987	54.753	1.011	7.155	CD2	22.12	1
1988	53.982	-1.166	3.107	C	19.7	1
1989	54.659	-2.137	3.384	O	19.53	1
1990	52.934	-1.256	2.294	N	19.71	1
1991	52.614	-2.563	1.724	CA	20.86	1
1992	51.442	-2.455	0.759	CB	22.53	1
1993	50.134	-2.109	1.497	CG	27.57	1
1994	49.904	-3.151	2.616	CD	34.35	1
1995	48.884	-4.255	2.125	CE	38.97	1
1996	48.859	-5.558	2.917	NZ	37.69	1
1997	53.81	-3.221	1.03	C	20.15	1
1998	54.027	-4.431	1.185	O	17.98	1
1999	54.597	-2.421	0.286	N	20.28	1
2000	55.63	-2.943	-0.651	CA	19.93	1
2001	55.675	-2.096	-1.931	CB	20.09	1
2002	54.411	-2.216	-2.737	CG	22.95	1
2003	53.738	-3.275	-2.628	OD1	25.7	1
2004	54.054	-1.26	-3.464	OD2	23.62	1
2005	57.045	-3.004	-0.049	C	19.99	1
2006	58.002	-3.443	-0.689	O	18.1	1
2007	57.185	-2.536	1.186	N	22.96	1
2008	58.505	-2.504	1.804	CA	25.54	1
2009	59.388	-3.611	1.234	CB	27.13	1
2010	60.388	-3.025	0.156	CG	30.83	1
2011	61.125	-4.085	-0.761	CD	30.61	1
2012	60.975	-3.676	-2.274	CE	33.66	1
2013	61.116	-4.821	-3.283	NZ	38.6	1
2014	59.286	-1.301	1.409	C	24.56	1
2015	60.505	-1.313	1.581	O	26.3	1
2016	58.681	-0.273	0.854	N	23.84	1
2017	59.578	0.732	0.309	CA	24.13	1
2018	59.156	1.084	-1.099	CB	24.89	1
2019	59.361	-0.116	-2.068	CG	26.16	1
2020	58.978	0.309	-3.481	CD	30.31	1
2021	58.897	-0.833	-4.548	CE	29.8	1
2022	60.112	-1.611	-4.647	NZ	29.53	1
2023	59.78	1.946	1.248	C	23.68	1
2024	59.53	3.097	0.869	O	23.63	1
2025	60.218	1.683	2.482	N	22.68	1
2026	60.45	2.774	3.421	CA	23.01	1
2027	59.665	2.57	4.715	CB	22.93	1
2028	59.767	3.773	5.551	CG1	22.22	1
2029	58.217	2.304	4.391	CG2	22.06	1
2030	61.933	2.862	3.701	C	23.1	1
2031	62.449	2.04	4.397	O	24.87	1
2032	62.64	3.817	3.132	N	23.63	1
2033	64.1	3.77	3.143	CA	24.15	1
2034	64.665	4.065	1.746	CB	26.15	1
2035	64.648	2.89	0.806	CG	29.51	1
2036	63.459	2.245	0.485	CD1	32.98	1
2037	63.424	1.12	-0.423	CE1	34.73	1
2038	64.606	0.676	-1.036	CZ	36.1	1
2039	65.855	1.353	-0.753	CE2	38.46	1
2040	65.847	2.456	0.183	CD2	36.12	1
2041	64.656	4.835	4.046	C	23.32	1
2042	64.202	5.987	4.058	O	24.42	1
2043	65.669	4.466	4.799	N	22.36	1
2044	66.509	5.425	5.491	CA	19.92	1
2045	67.091	4.727	6.709	CB	19.74	1
2046	68.036	5.567	7.562	CG	20.87	1
2047	67.211	6.405	8.564	CD1	21.19	1
2048	69.016	4.644	8.279	CD2	21.98	1
2049	67.658	5.761	4.542	C	19.04	1
2050	68.418	4.858	4.177	O	18.88	1
2051	67.828	7.021	4.16	N	18.05	1
2052	68.963	7.374	3.31	CA	19.42	1
2053	68.632	8.639	2.495	CB	19.09	1
2054	67.194	8.67	1.975	CG	20.16	1
2055	66.936	10.135	0.929	SD	23.11	1
2056	65.513	10.749	1.673	CE	17.53	1
2057	70.248	7.605	4.125	C	18.48	1
2058	70.193	7.92	5.294	O	18.6	1
2059	71.399	7.442	3.501	N	18.88	1
2060	72.738	7.689	4.044	CA	20.21	1
2061	73.697	7.285	2.895	CB	20.42	1
2062	72.896	6.636	1.839	CG	19.14	1
2063	71.402	6.794	2.163	CD	19.87	1
2064	73.092	9.127	4.443	C	21.29	1
2065	72.469	10.089	3.956	O	22.86	1
2066	74.127	9.279	5.271	N	20.72	1
2067	74.586	10.611	5.666	CA	22.12	1
2068	76.059	10.603	6.123	CB	22.7	1
2069	76.316	10.299	7.524	CG	26.44	1
2070	77.791	10.35	7.794	CD	31.56	1
2071	78.539	10.291	6.79	OE1	25.07	1
2072	78.178	10.472	8.997	OE2	33.84	1
2073	74.602	11.488	4.431	C	20.93	1
2074	74.092	12.625	4.467	O	20.57	1
2075	75.246	10.959	3.374	N	19.69	1
2076	75.61	11.714	2.203	CA	21.05	1
2077	76.768	11.012	1.396	CB	22.69	1
2078	78.174	10.8	2.175	CG	30.12	1
2079	78.265	10.656	3.6	CD1	30.83	1
2080	79.532	10.472	4.257	CE1	24.48	1
2081	80.725	10.376	3.564	CZ	27.95	1
2082	81.926	10.172	4.272	OH	27.21	1
2083	80.737	10.502	2.181	CE2	27.62	1
2084	79.442	10.719	1.473	CD2	35.12	1
2085	74.392	12.3	1.368	C	19.99	1
2086	74.597	13.202	0.606	O	18.87	1
2087	73.133	11.852	1.566	N	20.79	1
2088	71.884	12.558	0.965	CA	21.72	1
2089	70.668	11.641	1.011	CB	20.3	1
2090	71.367	13.961	1.368	C	23.88	1
2091	72.037	14.852	1.963	O	26.71	1
2092	70.074	14.136	1.125	N	25.58	1
2093	69.489	15.418	1.299	CA	24.36	1
2094	69.936	16.3	0.201	CB	25.8	1
2095	71.278	16.959	0.434	CG	31.06	1
2096	71.179	18.305	1.092	CD	27.48	1
2097	70.66	19.302	0.205	CE	26.7	1
2098	70.809	20.683	0.817	NZ	34.01	1
2099	68.011	15.432	1.142	C	25.44	1
2100	67.363	14.474	0.639	O	25.76	1
2101	67.498	16.609	1.505	N	24.28	1
2102	66.192	16.975	1.232	CA	24.43	1
2103	65.327	16.113	1.955	CB	24.99	1
2104	66.16	18.424	1.765	C	26.99	1
2105	66.872	19.319	1.261	O	26.42	1
2106	67.555	22.736	1.454	N	10.82	1
2107	68.8	23.316	0.871	CA	13.2	1
2108	69.69	23.96	1.971	CB	14.21	1
2109	69.069	25.183	2.632	CG	15.04	1
2110	69.592	26.434	2.431	CD1	13.17	1
2111	68.997	27.528	3.004	CE1	17.37	1
2112	67.908	27.37	3.824	CZ	15.59	1
2113	67.327	28.463	4.396	OH	19.44	1
2114	67.374	26.139	4.033	CE2	14.56	1
2115	67.939	25.058	3.443	CD2	13.23	1
2116	69.634	22.234	0.155	C	12.84	1
2117	69.651	21.122	0.635	O	14.9	1
2118	70.334	22.554	-0.958	N	12.41	1
2119	71.16	21.486	-1.604	CA	11.74	1
2120	71.373	22.011	-3.034	CB	11.93	1
2121	71.341	23.538	-2.868	CG	10.65	1
2122	70.388	23.833	-1.714	CD	12.05	1
2123	72.506	21.343	-0.934	C	12.06	1
2124	73.005	22.306	-0.385	O	12.62	1
2125	73.149	20.191	-1.042	N	12.36	1
2126	74.538	20.127	-0.6	CA	12.63	1
2127	74.586	19.527	0.807	CB	14.52	1
2128	73.786	20.347	1.84	CG	17.04	1
2129	74.877	20.857	3.164	SD	18.66	1
2130	73.998	22.298	3.697	CE	20.36	1
2131	75.431	19.331	-1.551	C	12.11	1
2132	74.987	18.381	-2.223	O	13.03	1
2133	76.727	19.657	-1.572	N	11.72	1
2134	77.505	19.107	-2.648	CA	11.96	1
2135	78.901	19.599	-2.337	CB	13.77	1
2136	78.866	20	-0.84	CG	12.68	1
2137	77.515	20.465	-0.629	CD	11.49	1
2138	77.473	17.562	-2.71	C	12.14	1
2139	77.52	16.98	-3.759	O	12.69	1
2140	77.383	16.885	-1.587	N	13.68	1
2141	77.504	15.447	-1.641	CA	14.7	1
2142	78.18	14.842	-0.398	CB	15.45	1
2143	79.705	15.364	-0.022	CG	23.23	1
2144	80.848	15.476	-1.152	CD	24	1
2145	81.739	14.543	-1.267	OE1	24.89	1
2146	80.861	16.534	-1.808	OE2	15.11	1
2147	76.152	14.853	-1.869	C	13.56	1
2148	76.052	13.689	-2.158	O	15.02	1
2149	75.101	15.653	-1.781	N	13	1
2150	73.815	15.101	-2.097	CA	13.24	1
2151	72.695	15.841	-1.421	CB	12.64	1
2152	73.629	15.107	-3.601	C	13.84	1
2153	72.908	14.238	-4.152	O	15.11	1
2154	74.262	16.055	-4.287	N	13.86	1
2155	74.257	15.99	-5.753	CA	15.64	1
2156	74.664	17.349	-6.387	CB	17.74	1
2157	73.534	18.426	-6.397	CG	19.5	1
2158	73.131	18.943	-4.953	CD1	15.6	1
2159	73.84	19.589	-7.366	CD2	14.93	1
2160	75.133	14.812	-6.3	C	15.29	1
2161	74.639	13.881	-6.921	O	14.84	1
2162	76.424	14.838	-6.013	N	15.23	1
2163	77.342	13.801	-6.497	CA	15.31	1
2164	78.822	14.126	-6.045	CB	14.26	1
2165	76.96	12.371	-6.071	C	15.01	1
2166	77.07	11.454	-6.878	O	16.55	1
2167	76.558	12.157	-4.808	N	13.37	1
2168	76.448	10.794	-4.305	CA	12.47	1
2169	77.296	10.592	-3.027	CB	11.91	1
2170	78.742	11.129	-3.128	CG	13.75	1
2171	79.44	11.177	-1.772	CD1	14.84	1
2172	79.649	10.403	-4.128	CD2	14.1	1
2173	75.001	10.409	-4.072	C	12.27	1
2174	74.549	9.256	-4.372	O	14.61	1
2175	74.236	11.364	-3.577	N	11.27	1
2176	72.929	11.06	-3.129	CA	11.25	1
2177	71.94	10.824	-4.231	C	11.02	1
2178	71.077	9.967	-4.122	O	12.63	1
2179	72.004	11.633	-5.267	N	11.46	1
2180	71.087	11.463	-6.379	CA	12.98	1
2181	71.213	12.657	-7.378	CB	13.6	1
2182	70.514	13.927	-6.9	CG	14.69	1
2183	70.822	15.188	-7.706	CD	16.54	1
2184	71.378	15.102	-8.849	OE1	16.82	1
2185	70.479	16.286	-7.156	OE2	18.77	1
2186	71.441	10.157	-7.03	C	11.9	1
2187	70.58	9.502	-7.523	O	12.8	1
2188	72.716	9.77	-7.016	N	12.66	1
2189	73.116	8.556	-7.688	CA	14.19	1
2190	74.655	8.464	-7.833	CB	15.79	1
2191	75.13	7.104	-8.392	CG1	16.32	1
2192	75.159	9.585	-8.693	CG2	15.64	1
2193	72.538	7.382	-6.88	C	15.09	1
2194	72.024	6.406	-7.462	O	15.11	1
2195	72.56	7.519	-5.545	N	14.38	1
2196	72.093	6.454	-4.663	CA	14.17	1
2197	72.385	6.781	-3.173	CB	13.97	1
2198	71.737	5.792	-2.233	CG	13.97	1
2199	72.266	4.616	-1.831	CD1	14.81	1
2200	71.402	3.949	-1.034	NE1	15.1	1
2201	70.255	4.671	-0.896	CE2	13.55	1
2202	70.422	5.855	-1.625	CD2	13.9	1
2203	69.363	6.777	-1.667	CE3	12.08	1
2204	68.219	6.504	-0.952	CZ3	12.47	1
2205	68.089	5.332	-0.219	CH2	13.84	1
2206	69.111	4.403	-0.157	CZ2	14.38	1
2207	70.593	6.233	-4.868	C	13.51	1
2208	70.088	5.092	-4.873	O	13.41	1
2209	69.862	7.33	-5.044	N	13.61	1
2210	68.401	7.199	-5.158	CA	14.11	1
2211	67.711	8.523	-4.89	CB	13.52	1
2212	66.195	8.457	-5.093	CG	18.16	1
2213	65.461	7.499	-4.097	CD1	18.63	1
2214	65.555	9.841	-5.07	CD2	14.52	1
2215	68.067	6.579	-6.526	C	13.16	1
2216	67.181	5.713	-6.668	O	14.62	1
2217	68.876	6.921	-7.522	N	13.2	1
2218	68.663	6.419	-8.872	CA	12.98	1
2219	69.519	7.205	-9.904	CB	12.92	1
2220	68.969	4.932	-8.914	C	12.74	1
2221	68.206	4.153	-9.548	O	11.47	1
2222	70.076	4.518	-8.279	N	12.66	1
2223	70.326	3.068	-8.228	CA	15.44	1
2224	71.684	2.676	-7.625	CB	15.64	1
2225	72.866	2.973	-8.503	CG	18.73	1
2226	74.188	2.424	-7.886	CD	21.63	1
2227	74.232	0.862	-7.819	CE	24.94	1
2228	74.987	0.245	-8.939	NZ	26.65	1
2229	69.226	2.325	-7.449	C	14.65	1
2230	68.915	1.197	-7.771	O	15.92	1
2231	68.629	2.944	-6.428	N	14.49	1
2232	67.622	2.212	-5.642	CA	14.77	1
2233	67.41	2.866	-4.265	CB	14.52	1
2234	66.319	2.135	-6.412	C	13.38	1
2235	65.668	1.134	-6.377	O	15.27	1
2236	65.927	3.192	-7.124	N	13.57	1
2237	64.673	3.138	-7.9	CA	14.04	1
2238	64.106	4.53	-8.091	CB	14.37	1
2239	63.966	5.188	-6.742	CG	14.79	1
2240	63.77	6.635	-6.947	CD1	16.74	1
2241	62.818	4.586	-6.011	CD2	16.56	1
2242	64.888	2.499	-9.281	C	13.85	1
2243	64.008	1.879	-9.788	O	14.65	1
2244	66.078	2.622	-9.858	N	14.29	1
2245	66.4	2.016	-11.15	CA	14.02	1
2246	66.585	3.141	-12.201	CB	15.37	1
2247	65.342	3.983	-12.346	CG	16.39	1
2248	64.32	3.618	-13.232	CD1	16.23	1
2249	63.162	4.385	-13.342	CE1	19.07	1
2250	63.013	5.512	-12.53	CZ	19.14	1
2251	61.893	6.339	-12.606	OH	18.79	1
2252	64.011	5.832	-11.64	CE2	19.09	1
2253	65.151	5.084	-11.556	CD2	15.87	1
2254	67.669	1.179	-11.151	C	13.61	1
2255	68.6	1.492	-11.914	O	13.69	1
2256	67.713	0.087	-10.357	N	13.26	1
2257	68.981	-0.68	-10.2	CA	12.83	1
2258	68.599	-1.832	-9.274	CB	12.88	1
2259	67.092	-1.87	-9.209	CG	12.89	1
2260	66.576	-0.492	-9.614	CD	14.34	1
2261	69.526	-1.204	-11.559	C	14.2	1
2262	70.733	-1.265	-11.768	O	13.07	1
2263	68.601	-1.513	-12.467	N	14.46	1
2264	68.84	-2.13	-13.771	CA	15.02	1
2265	67.442	-2.395	-14.373	CB	15.89	1
2266	66.669	-0.99	-14.922	CG	15.47	1
2267	65.302	-0.597	-14.208	CD	7.23	1
2268	65.212	-1.007	-13.078	OE1	2	1
2269	64.249	0.16	-14.946	NE2	2	1
2270	69.584	-1.183	-14.724	C	15.37	1
2271	70.258	-1.621	-15.667	O	15.58	1
2272	69.489	0.124	-14.481	N	14.98	1
2273	70.079	1.05	-15.438	CA	15.14	1
2274	69.182	2.277	-15.676	CB	15.37	1
2275	67.719	1.998	-15.902	CG	12.08	1
2276	67.008	3.265	-16.245	CD	13.06	1
2277	65.806	2.957	-16.994	NE	14.78	1
2278	65.172	3.781	-17.809	CZ	17.95	1
2279	65.603	5.052	-18.059	NH1	18.07	1
2280	64.097	3.317	-18.386	NH2	13.62	1
2281	71.421	1.558	-15.016	C	15.64	1
2282	72.066	2.305	-15.782	O	15.84	1
2283	71.843	1.164	-13.806	N	16.94	1
2284	72.994	1.77	-13.111	CA	17.18	1
2285	72.509	2.672	-11.976	CB	16.37	1
2286	71.888	3.913	-12.46	CG	17.5	1
2287	72.67	4.912	-13.026	CD1	13.09	1
2288	72.093	6.043	-13.48	CE1	16.5	1
2289	70.726	6.205	-13.444	CZ	16.15	1
2290	69.952	5.23	-12.882	CE2	16.09	1
2291	70.525	4.082	-12.407	CD2	14.9	1
2292	73.893	0.727	-12.515	C	18.97	1
2293	74.533	0.933	-11.434	O	20.43	1
2294	73.934	-0.403	-13.176	N	18.72	1
2295	74.631	-1.504	-12.617	CA	20.57	1
2296	74.01	-2.761	-13.22	CB	20.94	1
2297	74.234	-3.889	-12.417	CG	24.17	1
2298	73.267	-3.987	-11.291	CD	26.67	1
2299	73.649	-4.379	-10.199	OE1	31.5	1
2300	72.006	-3.694	-11.55	NE2	26	1
2301	76.163	-1.373	-12.877	C	21.27	1
2302	77.004	-2.006	-12.214	O	21.84	1
2303	76.555	-0.52	-13.817	N	21.16	1
2304	77.985	-0.313	-14.054	CA	20.69	1
2305	78.197	0.161	-15.483	CB	21.49	1
2306	77.311	1.389	-15.874	CG	25.1	1
2307	76.068	1.454	-15.619	OD1	26.38	1
2308	77.877	2.307	-16.517	OD2	30.33	1
2309	78.534	0.738	-13.091	C	20.54	1
2310	79.716	1.052	-13.08	O	18.61	1
2311	77.632	1.328	-12.305	N	20.53	1
2312	77.989	2.518	-11.571	CA	20.23	1
2313	76.774	3.451	-11.444	CB	21.09	1
2314	76.977	4.411	-10.263	CG1	21.28	1
2315	76.52	4.176	-12.766	CG2	19.91	1
2316	78.509	2.126	-10.191	C	19.49	1
2317	77.768	1.604	-9.33	O	17.95	1
2318	79.799	2.352	-9.988	N	19.64	1
2319	80.417	1.93	-8.736	CA	20.89	1
2320	81.89	1.56	-8.963	CB	20.88	1
2321	82.476	0.731	-7.809	CG	24.17	1
2322	81.744	0.451	-6.799	OD1	24.77	1
2323	83.684	0.381	-7.902	OD2	27.54	1
2324	80.195	2.988	-7.591	C	21.21	1
2325	81.073	3.822	-7.289	O	20.37	1
2326	79.006	2.965	-6.991	N	20.91	1
2327	78.663	3.944	-5.995	CA	21.13	1
2328	77.267	3.68	-5.444	CB	20.81	1
2329	76.819	4.826	-4.535	CG	19.94	1
2330	76.96	6.116	-5.295	CD1	15.9	1
2331	75.4	4.633	-4.001	CD2	21.26	1
2332	79.68	3.894	-4.852	C	22.38	1
2333	80.191	4.942	-4.442	O	21.36	1
2334	79.976	2.689	-4.349	N	23.44	1
2335	80.793	2.531	-3.139	CA	24.8	1
2336	81.137	1.079	-2.837	CB	25.23	1
2337	79.936	0.263	-2.404	CG	28.35	1
2338	78.958	0.856	-1.864	OD1	28.48	1
2339	79.979	-0.984	-2.63	OD2	29.56	1
2340	82.1	3.259	-3.246	C	25.46	1
2341	82.564	3.886	-2.282	O	26.08	1
2342	82.726	3.175	-4.403	N	26.33	1
2343	84.018	3.832	-4.539	CA	27.92	1
2344	84.931	3.064	-5.526	CB	29.05	1
2345	85.373	1.571	-5.05	CG	34.3	1
2346	85.205	1.242	-3.487	CD	34.71	1
2347	86.435	1.607	-2.672	CE	30.18	1
2348	85.976	1.233	-1.333	NZ	36.24	1
2349	83.885	5.293	-4.94	C	26.86	1
2350	84.817	6.08	-4.794	O	27.23	1
2351	82.738	5.652	-5.487	N	26.3	1
2352	82.493	7.03	-5.803	CA	26.51	1
2353	81.219	7.15	-6.591	CB	25.98	1
2354	81.376	7.869	-7.911	CG	30.48	1
2355	79.997	7.667	-9.116	SD	32.65	1
2356	78.542	7.637	-8.065	CE	22.21	1
2357	82.362	7.763	-4.46	C	25.08	1
2358	82.926	8.854	-4.291	O	25.22	1
2359	81.642	7.137	-3.526	N	22.59	1
2360	81.391	7.646	-2.216	CA	21.38	1
2361	80.463	6.679	-1.465	CB	22.39	1
2362	80.462	6.953	0.022	CG1	21.45	1
2363	79.035	6.734	-2.038	CG2	21.18	1
2364	82.691	7.77	-1.439	C	22.18	1
2365	83.05	8.844	-0.916	O	21.03	1
2366	83.429	6.669	-1.395	N	23.15	1
2367	84.79	6.665	-0.849	CA	23.37	1
2368	85.354	5.24	-0.766	CB	24.03	1
2369	86.136	4.99	0.551	CG	28.56	1
2370	87.386	4.874	0.514	OD1	26.86	1
2371	85.398	4.93	1.734	ND2	22.53	1
2372	85.786	7.627	-1.499	C	23.05	1
2373	86.526	8.285	-0.766	O	23.95	1
2374	85.862	7.764	-2.826	N	22.61	1
2375	86.835	8.762	-3.334	CA	23.77	1
2376	86.972	8.768	-4.84	CB	24.03	1
2377	87.582	7.488	-5.348	CG	29.48	1
2378	88.348	6.869	-4.561	OD1	35.33	1
2379	87.305	7.081	-6.517	OD2	32.43	1
2380	86.472	10.172	-2.867	C	23.94	1
2381	87.326	10.999	-2.514	O	23.95	1
2382	85.191	10.47	-2.801	N	22.86	1
2383	84.953	11.796	-2.391	CA	22.08	1
2384	83.808	12.386	-3.214	CB	22.09	1
2385	84.326	12.919	-4.703	CG	21.36	1
2386	85.695	12.824	-5.219	CD1	2	1
2387	85.999	13.21	-6.098	CE1	2	1
2388	85.079	13.786	-6.989	CZ	22.13	1
2389	85.159	14.377	-8.333	OH	23.67	1
2390	83.744	13.95	-6.654	CE2	28.32	1
2391	83.378	13.507	-5.494	CD2	24.8	1
2392	84.999	12.061	-0.87	C	22.82	1
2393	85.399	13.167	-0.445	O	20.15	1
2394	84.689	11.038	-0.06	N	23.24	1
2395	84.757	11.241	1.367	CA	25.85	1
2396	83.817	10.306	2.189	CB	27.71	1
2397	84.471	9.414	3.228	CG	34.61	1
2398	83.708	8.736	4.243	CD1	37.94	1
2399	84.36	7.795	5.216	CE1	37.93	1
2400	85.747	7.615	5.155	CZ	39.69	1
2401	86.413	6.788	6.026	OH	40.4	1
2402	86.514	8.296	4.199	CE2	40.52	1
2403	85.875	9.176	3.211	CD2	41.14	1
2404	86.231	11.392	1.816	C	25.35	1
2405	86.51	12.201	2.695	O	24.7	1
2406	87.176	10.759	1.116	N	24.9	1
2407	88.564	10.804	1.532	CA	24.68	1
2408	89.421	9.633	0.968	CB	25.5	1
2409	89.287	8.212	1.668	CG	27.58	1
2410	89.617	8.217	3.17	CD	31.12	1
2411	88.705	8.11	4.029	OE1	39.35	1
2412	90.876	8.413	3.502	NE2	27.67	1
2413	89.123	12.137	1.067	C	24.79	1
2414	90.136	12.659	1.636	O	25.21	1
2415	88.518	12.709	0.03	N	22.51	1
2416	89.028	14.019	-0.392	CA	21.82	1
2417	88.838	14.239	-1.877	CB	21.83	1
2418	89.779	15.291	-2.404	CG	26.54	1
2419	89.099	16.248	-3.375	CD	30.38	1
2420	90.162	16.966	-4.215	CE	31.84	1
2421	91.175	17.689	-3.379	NZ	37.68	1
2422	88.425	15.21	0.407	C	20.07	1
2423	89.122	16.08	0.886	O	19.02	1
2424	87.122	15.229	0.575	N	19.3	1
2425	86.505	16.358	1.223	CA	19.21	1
2426	85.202	16.705	0.472	CB	20.24	1
2427	85.426	17.113	-0.967	CG	19.45	1
2428	86.176	18.231	-1.264	CD1	14.66	1
2429	86.38	18.626	-2.562	CE1	13.31	1
2430	85.903	17.86	-3.641	CZ	16.82	1
2431	85.15	16.714	-3.377	CE2	19.37	1
2432	84.896	16.348	-2.028	CD2	20.82	1
2433	86.264	16.192	2.732	C	19.2	1
2434	86.131	17.16	3.43	O	17.66	1
2435	86.203	14.96	3.231	N	21.39	1
2436	86.065	14.723	4.679	CA	23.53	1
2437	84.85	13.84	4.975	CB	22.15	1
2438	83.476	14.462	4.788	CG	21.92	1
2439	83.038	15.527	5.587	CD1	18.02	1
2440	81.793	16.073	5.456	CE1	14.81	1
2441	80.901	15.559	4.512	CZ	21.58	1
2442	79.611	16.093	4.372	OH	19.86	1
2443	81.293	14.494	3.692	CE2	20.79	1
2444	82.583	13.944	3.844	CD2	20.08	1
2445	87.265	14.083	5.417	C	25.56	1
2446	87.501	14.367	6.574	O	26.43	1
2447	87.978	13.145	4.819	N	29.5	1
2448	88.809	12.322	5.687	CA	31.97	1
2449	89.04	10.913	5.226	CB	31.62	1
2450	87.99	9.858	5.749	CG	34.89	1
2451	87.681	10.084	7.262	CD	38.83	1
2452	87.591	8.822	8.027	NE	42.62	1
2453	88.513	8.371	8.918	CZ	49.78	1
2454	89.641	9.065	9.176	NH1	49.7	1
2455	88.341	7.196	9.57	NH2	49.8	1
2456	90.045	13.115	5.914	C	34.18	1
2457	90.83	12.76	6.809	O	35.01	1
2458	90.147	14.241	5.174	N	36.11	1
2459	90.978	15.359	5.52	CA	38.77	1
2460	91.404	15.475	6.871	CB	40.89	1
2461	90.496	16.434	7.505	OG1	42.05	1
2462	92.951	16.052	7.008	CG2	41.63	1
2463	90.633	16.735	5.563	C	39.01	1
2464	91.495	17.581	5.654	O	39.44	1
2465	89.364	16.977	5.82	N	40.45	1
2466	88.865	18.264	5.873	CA	40.89	1
2467	88.245	18.588	4.515	CB	41.51	1
2468	89.191	18.348	3.447	OG	41.45	1
2469	87.836	18.027	6.894	C	42.74	1
2470	86.668	17.968	6.571	O	44.37	1
2471	88.258	17.852	8.147	N	46.33	1
2472	87.308	17.796	9.293	CA	47.01	1
2473	87.109	16.356	9.803	CB	48.84	1
2474	88.244	15.763	10.668	CG	52.53	1
2475	89.114	16.596	11.407	CD1	54.49	1
2476	90.124	16.059	12.205	CE1	55.38	1
2477	90.267	14.669	12.304	CZ	55.09	1
2478	91.261	14.146	13.116	OH	53.82	1
2479	89.411	13.816	11.608	CE2	54.3	1
2480	88.397	14.364	10.8	CD2	54.85	1
2481	87.741	18.71	10.445	C	48.86	1
2482	88.917	19.143	10.502	O	50.46	1

Processing

Software

Name	Version	Classification	NB
SHELX		phasing
REFMAC	5.5.0109	refinement
PDB_EXTRACT	3.1	data extraction
ADSC	Quantum	data collection
MOSFLM		data reduction
SCALA		data scaling
SHELXD		phasing

Refinement

Method to determine structure: SAD / Resolution: 1.5→19.94 Å / Cor.coef. F_o:F_c: 0.897 / Cor.coef. F_o:F_c free: 0.886 / Occupancy max: 1 / Occupancy min: 0.5 / SU B: 1.597 / SU ML: 0.06 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.075 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY

	Rfactor	Num. reflection	% reflection	Selection details
Rfree	0.3167	13802	10 %	RANDOM
Rwork	0.2954	-	-	-
obs	0.2976	138475	96.14 %	-

• Solvent computation: Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso max: 48.12 Ų / B_iso mean: 18.1549 Ų / B_iso min: 2.56 Ų

	Baniso -1	Baniso -2	Baniso -3
1-	0.01 Å2	0 Å2	0 Å2
2-	-	0.01 Å2	0 Å2
3-	-	-	-0.01 Å2

Refinement step

Cycle: LAST / Resolution: 1.5→19.94 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	2578	0	5	217	2800

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.031	0.022	2638
X-RAY DIFFRACTION	r_angle_refined_deg	2.384	1.973	3582
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.893	5	327
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	34.907	25.574	122
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	12.848	15	471
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	15.819	15	12
X-RAY DIFFRACTION	r_chiral_restr	0.174	0.2	403
X-RAY DIFFRACTION	r_gen_planes_refined	0.015	0.021	1985
X-RAY DIFFRACTION	r_mcbond_it	1.531	1.5	1629
X-RAY DIFFRACTION	r_mcangle_it	2.195	2	2632
X-RAY DIFFRACTION	r_scbond_it	3.534	3	1009
X-RAY DIFFRACTION	r_scangle_it	4.886	4.5	949

LS refinement shell

Resolution: 1.5→1.539 Å / Total num. of bins used: 20

	Rfactor	Num. reflection	% reflection
Rfree	0.412	609	-
Rwork	0.4	5627	-
all	-	6236	-
obs	-	-	59.36 %