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tutorial: Commit

This repository is for tutorials of Eos.


Commit MetaInfo

Revision09f0d5aab6dde973362127b04a72237eeb6ef129 (tree)
Time2014-09-04 13:06:11
Authorkinoshita-eos <kinoshita@yasu...>
Commiterkinoshita-eos

Log Message

Modified: Automatically getting Coordinates about CenterGet
modified: CTFCorrection/CTFCorrection1/Makefile

Add: Tutorial data of CTF Correlation
new file: CTFCorrection/CTFCorrection2/Input.inimrc
new file: CTFCorrection/CTFCorrection2/Input.pdb
new file: CTFCorrection/CTFCorrection2/Makefile

Change Summary

Incremental Difference

--- a/CTFCorrection/CTFCorrection1/Makefile
+++ b/CTFCorrection/CTFCorrection1/Makefile
@@ -96,7 +96,10 @@ CTFS::
9696 tiff2mrc -i $*.tif -o $*.mrc -r $(RESOLUTION) -m 0
9797
9898 .mrc.cen:
99- mrcImageCenterGet -i $*.mrc -o $*.cen -Nx 1000 -Ny 1000
99+ mrcInfo -i $*.mrc -o INFO;
100+ NX=$$(head -1 INFO | awk '{printf("%d\n", $$4);}'); \
101+ NY=$$(head -1 INFO | awk '{printf("%d\n", $$5);}'); \
102+ mrcImageCenterGet -i $*.mrc -o $*.cen -Nx $$NX -Ny $$NY
100103
101104 DispCEN:
102105 for i in $(CENS) ;\
Binary files /dev/null and b/CTFCorrection/CTFCorrection2/Input.inimrc differ
--- /dev/null
+++ b/CTFCorrection/CTFCorrection2/Input.pdb
@@ -0,0 +1,2021 @@
1+HEADER ONCOGENE PROTEIN 06-JUN-91 121P
2+TITLE STRUKTUR UND GUANOSINTRIPHOSPHAT-HYDROLYSEMECHANISMUS DES C-
3+TITLE 2 TERMINAL VERKUERZTEN MENSCHLICHEN KREBSPROTEINS P21-H-RAS
4+COMPND MOL_ID: 1;
5+COMPND 2 MOLECULE: H-RAS P21 PROTEIN;
6+COMPND 3 CHAIN: A;
7+COMPND 4 ENGINEERED: YES
8+SOURCE MOL_ID: 1;
9+SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
10+SOURCE 3 ORGANISM_COMMON: HUMAN;
11+SOURCE 4 ORGANISM_TAXID: 9606
12+KEYWDS ONCOGENE PROTEIN
13+EXPDTA X-RAY DIFFRACTION
14+AUTHOR U.KRENGEL,K.SCHEFFZEK,A.SCHERER,W.KABSCH,A.WITTINGHOFER,
15+AUTHOR 2 E.F.PAI
16+REVDAT 2 24-FEB-09 121P 1 VERSN
17+REVDAT 1 31-JAN-94 121P 0
18+JRNL AUTH U.KRENGEL
19+JRNL TITL STRUKTUR UND
20+JRNL TITL 2 GUANOSINTRIPHOSPHAT-HYDROLYSEMECHANISMUS DES
21+JRNL TITL 3 C-TERMINAL VERKUERZTEN MENSCHLICHEN KREBSPROTEINS
22+JRNL TITL 4 P21-H-RAS
23+JRNL REF THESIS 1991
24+JRNL REFN ISSN 3540559515
25+REMARK 1
26+REMARK 1 REFERENCE 1
27+REMARK 1 AUTH U.KRENGEL,I.SCHLICHTING,A.SCHEIDIG,M.FRECH,J.JOHN,
28+REMARK 1 AUTH 2 A.LAUTWEIN,F.WITTINGHOFER,W.KABSCH,E.F.PAI
29+REMARK 1 TITL THE THREE-DIMENSIONAL STRUCTURE OF P21 IN THE
30+REMARK 1 TITL 2 CATALYTICALLY ACTIVE CONFORMATION AND ANALYSIS OF
31+REMARK 1 TITL 3 ONCOGENIC MUTANTS
32+REMARK 1 REF NATO ASI SER.,SER.A V. 220 183 1991
33+REMARK 1 REFN ISSN 0161-0449
34+REMARK 1 REFERENCE 2
35+REMARK 1 AUTH E.F.PAI,U.KRENGEL,G.A.PETSKO,R.S.GOODY,W.KABSCH,
36+REMARK 1 AUTH 2 A.WITTINGHOFER
37+REMARK 1 TITL REFINED CRYSTAL STRUCTURE OF THE TRIPHOSPHATE
38+REMARK 1 TITL 2 CONFORMATION OF H-RAS P21 AT 1.35 ANGSTROMS
39+REMARK 1 TITL 3 RESOLUTION: IMPLICATIONS FOR THE MECHANISM OF GTP
40+REMARK 1 TITL 4 HYDROLYSIS
41+REMARK 1 REF EMBO J. V. 9 2351 1990
42+REMARK 1 REFN ISSN 0261-4189
43+REMARK 2
44+REMARK 2 RESOLUTION. 1.54 ANGSTROMS.
45+REMARK 3
46+REMARK 3 REFINEMENT.
47+REMARK 3 PROGRAM : X-PLOR
48+REMARK 3 AUTHORS : BRUNGER
49+REMARK 3
50+REMARK 3 DATA USED IN REFINEMENT.
51+REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.54
52+REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL
53+REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
54+REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
55+REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
56+REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL
57+REMARK 3 NUMBER OF REFLECTIONS : NULL
58+REMARK 3
59+REMARK 3 FIT TO DATA USED IN REFINEMENT.
60+REMARK 3 CROSS-VALIDATION METHOD : NULL
61+REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
62+REMARK 3 R VALUE (WORKING SET) : 0.195
63+REMARK 3 FREE R VALUE : NULL
64+REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
65+REMARK 3 FREE R VALUE TEST SET COUNT : NULL
66+REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
67+REMARK 3
68+REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
69+REMARK 3 TOTAL NUMBER OF BINS USED : NULL
70+REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
71+REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
72+REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
73+REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
74+REMARK 3 BIN R VALUE (WORKING SET) : NULL
75+REMARK 3 BIN FREE R VALUE : NULL
76+REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
77+REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
78+REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
79+REMARK 3
80+REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
81+REMARK 3 PROTEIN ATOMS : 1322
82+REMARK 3 NUCLEIC ACID ATOMS : 0
83+REMARK 3 HETEROGEN ATOMS : 33
84+REMARK 3 SOLVENT ATOMS : 195
85+REMARK 3
86+REMARK 3 B VALUES.
87+REMARK 3 FROM WILSON PLOT (A**2) : NULL
88+REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
89+REMARK 3 OVERALL ANISOTROPIC B VALUE.
90+REMARK 3 B11 (A**2) : NULL
91+REMARK 3 B22 (A**2) : NULL
92+REMARK 3 B33 (A**2) : NULL
93+REMARK 3 B12 (A**2) : NULL
94+REMARK 3 B13 (A**2) : NULL
95+REMARK 3 B23 (A**2) : NULL
96+REMARK 3
97+REMARK 3 ESTIMATED COORDINATE ERROR.
98+REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
99+REMARK 3 ESD FROM SIGMAA (A) : NULL
100+REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
101+REMARK 3
102+REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
103+REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
104+REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
105+REMARK 3
106+REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
107+REMARK 3 BOND LENGTHS (A) : 0.014
108+REMARK 3 BOND ANGLES (DEGREES) : 2.80
109+REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
110+REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
111+REMARK 3
112+REMARK 3 ISOTROPIC THERMAL MODEL : NULL
113+REMARK 3
114+REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
115+REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
116+REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
117+REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
118+REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
119+REMARK 3
120+REMARK 3 NCS MODEL : NULL
121+REMARK 3
122+REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
123+REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
124+REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
125+REMARK 3
126+REMARK 3 PARAMETER FILE 1 : NULL
127+REMARK 3 TOPOLOGY FILE 1 : NULL
128+REMARK 3
129+REMARK 3 OTHER REFINEMENT REMARKS: RESIDUES 61 - 64 (GLN - GLU - GLU -
130+REMARK 3 TYR) ADOPT SEVERAL CONFORMATIONS IN THE CRYSTAL. THE
131+REMARK 3 COORDINATES GIVEN APPROXIMATE ONE OF THESE. THE ELECTRON
132+REMARK 3 DENSITY FOR THIS PART OF THE STRUCTURE IS NOT AS WELL DEFINED
133+REMARK 3 AS FOR THE REST OF THE STRUCTURE.
134+REMARK 4
135+REMARK 4 121P COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
136+REMARK 100
137+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
138+REMARK 200
139+REMARK 200 EXPERIMENTAL DETAILS
140+REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
141+REMARK 200 DATE OF DATA COLLECTION : NULL
142+REMARK 200 TEMPERATURE (KELVIN) : NULL
143+REMARK 200 PH : NULL
144+REMARK 200 NUMBER OF CRYSTALS USED : NULL
145+REMARK 200
146+REMARK 200 SYNCHROTRON (Y/N) : NULL
147+REMARK 200 RADIATION SOURCE : NULL
148+REMARK 200 BEAMLINE : NULL
149+REMARK 200 X-RAY GENERATOR MODEL : NULL
150+REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL
151+REMARK 200 WAVELENGTH OR RANGE (A) : NULL
152+REMARK 200 MONOCHROMATOR : NULL
153+REMARK 200 OPTICS : NULL
154+REMARK 200
155+REMARK 200 DETECTOR TYPE : NULL
156+REMARK 200 DETECTOR MANUFACTURER : NULL
157+REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
158+REMARK 200 DATA SCALING SOFTWARE : NULL
159+REMARK 200
160+REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL
161+REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
162+REMARK 200 RESOLUTION RANGE LOW (A) : NULL
163+REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
164+REMARK 200
165+REMARK 200 OVERALL.
166+REMARK 200 COMPLETENESS FOR RANGE (%) : NULL
167+REMARK 200 DATA REDUNDANCY : NULL
168+REMARK 200 R MERGE (I) : NULL
169+REMARK 200 R SYM (I) : NULL
170+REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
171+REMARK 200
172+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
173+REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
174+REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
175+REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
176+REMARK 200 DATA REDUNDANCY IN SHELL : NULL
177+REMARK 200 R MERGE FOR SHELL (I) : NULL
178+REMARK 200 R SYM FOR SHELL (I) : NULL
179+REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
180+REMARK 200
181+REMARK 200 DIFFRACTION PROTOCOL: NULL
182+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
183+REMARK 200 SOFTWARE USED: X-PLOR
184+REMARK 200 STARTING MODEL: NULL
185+REMARK 200
186+REMARK 200 REMARK: NULL
187+REMARK 280
188+REMARK 280 CRYSTAL
189+REMARK 280 SOLVENT CONTENT, VS (%): 38.32
190+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99
191+REMARK 280
192+REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
193+REMARK 290
194+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
195+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1
196+REMARK 290
197+REMARK 290 SYMOP SYMMETRY
198+REMARK 290 NNNMMM OPERATOR
199+REMARK 290 1555 X,Y,Z
200+REMARK 290 2555 -Y,X-Y,Z+2/3
201+REMARK 290 3555 -X+Y,-X,Z+1/3
202+REMARK 290 4555 Y,X,-Z
203+REMARK 290 5555 X-Y,-Y,-Z+1/3
204+REMARK 290 6555 -X,-X+Y,-Z+2/3
205+REMARK 290
206+REMARK 290 WHERE NNN -> OPERATOR NUMBER
207+REMARK 290 MMM -> TRANSLATION VECTOR
208+REMARK 290
209+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
210+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
211+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
212+REMARK 290 RELATED MOLECULES.
213+REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
214+REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
215+REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
216+REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000
217+REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
218+REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 107.60000
219+REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
220+REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
221+REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 53.80000
222+REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000
223+REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000
224+REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
225+REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
226+REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000
227+REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 53.80000
228+REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000
229+REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000
230+REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 107.60000
231+REMARK 290
232+REMARK 290 REMARK: NULL
233+REMARK 300
234+REMARK 300 BIOMOLECULE: 1
235+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
236+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
237+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
238+REMARK 300 BURIED SURFACE AREA.
239+REMARK 350
240+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
241+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
242+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
243+REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
244+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
245+REMARK 350
246+REMARK 350 BIOMOLECULE: 1
247+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
248+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
249+REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
250+REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
251+REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
252+REMARK 350 BIOMT1 2 -0.500000 0.866025 0.000000 0.00000
253+REMARK 350 BIOMT2 2 0.866025 0.500000 0.000000 0.00000
254+REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000
255+REMARK 400
256+REMARK 400 COMPOUND
257+REMARK 400 SECONDARY STRUCTURE ELEMENTS HAVE BEEN ASSIGNED ACCORDING
258+REMARK 400 TO THE PROGRAM DSSP (W.KABSCH AND C.SANDER, 1983,
259+REMARK 400 BIOPOLYMERS 22:2577-2637).
260+REMARK 470
261+REMARK 470 MISSING ATOM
262+REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER;
263+REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
264+REMARK 470 I=INSERTION CODE):
265+REMARK 470 M RES CSSEQI ATOMS
266+REMARK 470 ALA A 122 CB
267+REMARK 500
268+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
269+REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
270+REMARK 500
271+REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
272+REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
273+REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
274+REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
275+REMARK 500
276+REMARK 500 STANDARD TABLE:
277+REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
278+REMARK 500
279+REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
280+REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
281+REMARK 500
282+REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
283+REMARK 500 MET A 1 CG - SD - CE ANGL. DEV. = -11.1 DEGREES
284+REMARK 500 TYR A 64 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES
285+REMARK 500 ARG A 68 CA - CB - CG ANGL. DEV. = 13.5 DEGREES
286+REMARK 500 ARG A 123 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
287+REMARK 500 ARG A 123 NE - CZ - NH2 ANGL. DEV. = -7.6 DEGREES
288+REMARK 500 ARG A 161 NE - CZ - NH1 ANGL. DEV. = 6.9 DEGREES
289+REMARK 500 ARG A 161 NE - CZ - NH2 ANGL. DEV. = -6.1 DEGREES
290+REMARK 500 ARG A 164 NE - CZ - NH1 ANGL. DEV. = 7.5 DEGREES
291+REMARK 500 ARG A 164 NE - CZ - NH2 ANGL. DEV. = -7.0 DEGREES
292+REMARK 500
293+REMARK 500 REMARK: NULL
294+REMARK 500
295+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
296+REMARK 500 SUBTOPIC: TORSION ANGLES
297+REMARK 500
298+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
299+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
300+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
301+REMARK 500
302+REMARK 500 STANDARD TABLE:
303+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
304+REMARK 500
305+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
306+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
307+REMARK 500
308+REMARK 500 M RES CSSEQI PSI PHI
309+REMARK 500 ASP A 33 75.75 -157.86
310+REMARK 500 ILE A 36 -71.13 -96.57
311+REMARK 500 TYR A 64 56.62 73.62
312+REMARK 500 ALA A 122 57.45 -64.61
313+REMARK 500 ARG A 149 -2.03 75.82
314+REMARK 500
315+REMARK 500 REMARK: NULL
316+REMARK 525
317+REMARK 525 SOLVENT
318+REMARK 525
319+REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
320+REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
321+REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
322+REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
323+REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
324+REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
325+REMARK 525 NUMBER; I=INSERTION CODE):
326+REMARK 525
327+REMARK 525 M RES CSSEQI
328+REMARK 525 HOH A 222 DISTANCE = 6.39 ANGSTROMS
329+REMARK 525 HOH A 235 DISTANCE = 6.69 ANGSTROMS
330+REMARK 525 HOH A 244 DISTANCE = 5.54 ANGSTROMS
331+REMARK 525 HOH A 265 DISTANCE = 13.30 ANGSTROMS
332+REMARK 525 HOH A 266 DISTANCE = 5.05 ANGSTROMS
333+REMARK 525 HOH A 269 DISTANCE = 6.94 ANGSTROMS
334+REMARK 525 HOH A 273 DISTANCE = 5.54 ANGSTROMS
335+REMARK 525 HOH A 274 DISTANCE = 6.42 ANGSTROMS
336+REMARK 525 HOH A 282 DISTANCE = 5.15 ANGSTROMS
337+REMARK 525 HOH A 287 DISTANCE = 6.85 ANGSTROMS
338+REMARK 525 HOH A 289 DISTANCE = 8.39 ANGSTROMS
339+REMARK 525 HOH A 290 DISTANCE = 5.86 ANGSTROMS
340+REMARK 525 HOH A 291 DISTANCE = 5.43 ANGSTROMS
341+REMARK 525 HOH A 293 DISTANCE = 6.77 ANGSTROMS
342+REMARK 525 HOH A 297 DISTANCE = 5.86 ANGSTROMS
343+REMARK 525 HOH A 298 DISTANCE = 5.10 ANGSTROMS
344+REMARK 525 HOH A 300 DISTANCE = 11.44 ANGSTROMS
345+REMARK 525 HOH A 314 DISTANCE = 8.21 ANGSTROMS
346+REMARK 525 HOH A 331 DISTANCE = 6.22 ANGSTROMS
347+REMARK 525 HOH A 332 DISTANCE = 7.69 ANGSTROMS
348+REMARK 525 HOH A 333 DISTANCE = 5.86 ANGSTROMS
349+REMARK 525 HOH A 342 DISTANCE = 6.20 ANGSTROMS
350+REMARK 525 HOH A 346 DISTANCE = 6.65 ANGSTROMS
351+REMARK 525 HOH A 348 DISTANCE = 6.43 ANGSTROMS
352+REMARK 525 HOH A 351 DISTANCE = 5.06 ANGSTROMS
353+REMARK 525 HOH A 355 DISTANCE = 6.60 ANGSTROMS
354+REMARK 620
355+REMARK 620 METAL COORDINATION
356+REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
357+REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
358+REMARK 620
359+REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
360+REMARK 620 MG A 168 MG
361+REMARK 620 N RES CSSEQI ATOM
362+REMARK 620 1 SER A 17 OG
363+REMARK 620 2 THR A 35 OG1 83.3
364+REMARK 620 3 GCP A 167 O2G 172.8 92.1
365+REMARK 620 4 HOH A 173 O 86.1 94.6 88.8
366+REMARK 620 5 GCP A 167 O2B 89.8 173.0 94.8 86.0
367+REMARK 620 6 HOH A 172 O 87.5 91.3 98.1 170.7 87.3
368+REMARK 620 N 1 2 3 4 5
369+REMARK 800
370+REMARK 800 SITE
371+REMARK 800 SITE_IDENTIFIER: AC1
372+REMARK 800 EVIDENCE_CODE: SOFTWARE
373+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 168
374+REMARK 800 SITE_IDENTIFIER: AC2
375+REMARK 800 EVIDENCE_CODE: SOFTWARE
376+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GCP A 167
377+DBREF 121P A 1 166 UNP P01112 RASH_HUMAN 1 166
378+SEQRES 1 A 166 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY GLY
379+SEQRES 2 A 166 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN
380+SEQRES 3 A 166 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER
381+SEQRES 4 A 166 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS LEU
382+SEQRES 5 A 166 LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SER
383+SEQRES 6 A 166 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE
384+SEQRES 7 A 166 LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU
385+SEQRES 8 A 166 ASP ILE HIS GLN TYR ARG GLU GLN ILE LYS ARG VAL LYS
386+SEQRES 9 A 166 ASP SER ASP ASP VAL PRO MET VAL LEU VAL GLY ASN LYS
387+SEQRES 10 A 166 CYS ASP LEU ALA ALA ARG THR VAL GLU SER ARG GLN ALA
388+SEQRES 11 A 166 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO TYR ILE GLU
389+SEQRES 12 A 166 THR SER ALA LYS THR ARG GLN GLY VAL GLU ASP ALA PHE
390+SEQRES 13 A 166 TYR THR LEU VAL ARG GLU ILE ARG GLN HIS
391+HET MG A 168 1
392+HET GCP A 167 32
393+HETNAM MG MAGNESIUM ION
394+HETNAM GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
395+FORMUL 2 MG MG 2+
396+FORMUL 3 GCP C11 H18 N5 O13 P3
397+FORMUL 4 HOH *195(H2 O)
398+HELIX 1 A1 LYS A 16 GLN A 25 1 10
399+HELIX 2 A2 SER A 65 THR A 74 1 10
400+HELIX 3 A3 THR A 87 VAL A 103 1 17
401+HELIX 4 A4 SER A 127 TYR A 137 1 11
402+HELIX 5 A5 VAL A 152 ARG A 164 1 13
403+SHEET 1 S 6 GLU A 37 ILE A 46 0
404+SHEET 2 S 6 GLU A 49 THR A 58 -1 O LEU A 53 N LYS A 42
405+SHEET 3 S 6 THR A 2 VAL A 9 1 N LEU A 6 O ASP A 54
406+SHEET 4 S 6 GLY A 77 ALA A 83 1 N LEU A 79 O VAL A 7
407+SHEET 5 S 6 MET A 111 ASN A 116 1 N VAL A 114 O CYS A 80
408+SHEET 6 S 6 TYR A 141 GLU A 143 1 N ILE A 142 O LEU A 113
409+LINK OG SER A 17 MG MG A 168 1555 1555 2.28
410+LINK OG1 THR A 35 MG MG A 168 1555 1555 2.26
411+LINK MG MG A 168 O2G GCP A 167 1555 1555 2.21
412+LINK MG MG A 168 O HOH A 173 1555 1555 2.25
413+LINK MG MG A 168 O2B GCP A 167 1555 1555 2.29
414+LINK MG MG A 168 O HOH A 172 1555 1555 2.26
415+SITE 1 AC1 5 SER A 17 THR A 35 GCP A 167 HOH A 172
416+SITE 2 AC1 5 HOH A 173
417+SITE 1 AC2 28 GLY A 12 GLY A 13 VAL A 14 GLY A 15
418+SITE 2 AC2 28 LYS A 16 SER A 17 ALA A 18 PHE A 28
419+SITE 3 AC2 28 VAL A 29 ASP A 30 TYR A 32 PRO A 34
420+SITE 4 AC2 28 THR A 35 GLY A 60 ASN A 116 LYS A 117
421+SITE 5 AC2 28 ASP A 119 LEU A 120 SER A 145 ALA A 146
422+SITE 6 AC2 28 LYS A 147 MG A 168 HOH A 170 HOH A 172
423+SITE 7 AC2 28 HOH A 175 HOH A 186 HOH A 188 HOH A 289
424+CRYST1 40.200 40.200 161.400 90.00 90.00 120.00 P 32 2 1 6
425+ORIGX1 1.000000 0.000000 0.000000 0.00000
426+ORIGX2 0.000000 1.000000 0.000000 0.00000
427+ORIGX3 0.000000 0.000000 1.000000 0.00000
428+SCALE1 0.024876 0.014362 0.000000 0.00000
429+SCALE2 0.000000 0.028724 0.000000 0.00000
430+SCALE3 0.000000 0.000000 0.006196 0.00000
431+ATOM 1 N MET A 1 -7.176 32.630 -6.655 1.00 14.06 N
432+ATOM 2 CA MET A 1 -5.913 31.928 -6.676 1.00 17.27 C
433+ATOM 3 C MET A 1 -5.903 30.860 -5.600 1.00 16.41 C
434+ATOM 4 O MET A 1 -6.703 30.881 -4.654 1.00 16.12 O
435+ATOM 5 CB MET A 1 -4.712 32.869 -6.415 1.00 17.94 C
436+ATOM 6 CG MET A 1 -4.594 33.420 -4.990 1.00 19.41 C
437+ATOM 7 SD MET A 1 -3.193 34.558 -4.899 1.00 21.82 S
438+ATOM 8 CE MET A 1 -4.325 35.886 -4.618 1.00 23.68 C
439+ATOM 9 N THR A 2 -4.966 29.934 -5.760 1.00 15.08 N
440+ATOM 10 CA THR A 2 -4.759 28.930 -4.751 1.00 16.71 C
441+ATOM 11 C THR A 2 -4.312 29.597 -3.441 1.00 16.63 C
442+ATOM 12 O THR A 2 -3.423 30.479 -3.406 1.00 17.08 O
443+ATOM 13 CB THR A 2 -3.707 27.952 -5.310 1.00 16.63 C
444+ATOM 14 OG1 THR A 2 -4.298 27.397 -6.486 1.00 20.57 O
445+ATOM 15 CG2 THR A 2 -3.318 26.861 -4.361 1.00 15.26 C
446+ATOM 16 N GLU A 3 -4.956 29.200 -2.361 1.00 16.48 N
447+ATOM 17 CA GLU A 3 -4.531 29.674 -1.062 1.00 19.32 C
448+ATOM 18 C GLU A 3 -4.016 28.444 -0.302 1.00 18.43 C
449+ATOM 19 O GLU A 3 -4.525 27.315 -0.502 1.00 18.03 O
450+ATOM 20 CB GLU A 3 -5.690 30.302 -0.312 1.00 21.18 C
451+ATOM 21 CG GLU A 3 -6.329 31.456 -1.109 1.00 26.05 C
452+ATOM 22 CD GLU A 3 -7.235 32.429 -0.346 1.00 28.96 C
453+ATOM 23 OE1 GLU A 3 -7.498 32.239 0.846 1.00 30.26 O
454+ATOM 24 OE2 GLU A 3 -7.662 33.416 -0.948 1.00 31.23 O
455+ATOM 25 N TYR A 4 -2.943 28.607 0.490 1.00 16.16 N
456+ATOM 26 CA TYR A 4 -2.465 27.513 1.336 1.00 15.13 C
457+ATOM 27 C TYR A 4 -2.582 27.972 2.788 1.00 14.74 C
458+ATOM 28 O TYR A 4 -2.028 29.008 3.186 1.00 13.18 O
459+ATOM 29 CB TYR A 4 -1.024 27.210 0.979 1.00 14.62 C
460+ATOM 30 CG TYR A 4 -0.821 26.708 -0.444 1.00 14.92 C
461+ATOM 31 CD1 TYR A 4 -1.082 25.378 -0.723 1.00 14.30 C
462+ATOM 32 CD2 TYR A 4 -0.358 27.561 -1.437 1.00 15.17 C
463+ATOM 33 CE1 TYR A 4 -0.875 24.904 -2.001 1.00 15.20 C
464+ATOM 34 CE2 TYR A 4 -0.149 27.092 -2.725 1.00 12.99 C
465+ATOM 35 CZ TYR A 4 -0.416 25.766 -2.979 1.00 14.46 C
466+ATOM 36 OH TYR A 4 -0.280 25.278 -4.241 1.00 12.37 O
467+ATOM 37 N LYS A 5 -3.316 27.216 3.592 1.00 15.93 N
468+ATOM 38 CA LYS A 5 -3.586 27.580 4.978 1.00 16.80 C
469+ATOM 39 C LYS A 5 -2.569 26.825 5.797 1.00 14.24 C
470+ATOM 40 O LYS A 5 -2.689 25.602 5.979 1.00 14.36 O
471+ATOM 41 CB LYS A 5 -5.006 27.164 5.387 1.00 18.79 C
472+ATOM 42 CG LYS A 5 -5.762 28.262 6.168 1.00 24.69 C
473+ATOM 43 CD LYS A 5 -5.662 28.204 7.726 1.00 25.19 C
474+ATOM 44 CE LYS A 5 -4.314 28.470 8.439 1.00 23.75 C
475+ATOM 45 NZ LYS A 5 -3.792 29.796 8.192 1.00 22.37 N
476+ATOM 46 N LEU A 6 -1.566 27.570 6.250 1.00 12.91 N
477+ATOM 47 CA LEU A 6 -0.458 26.983 7.005 1.00 12.83 C
478+ATOM 48 C LEU A 6 -0.596 27.343 8.479 1.00 12.13 C
479+ATOM 49 O LEU A 6 -1.039 28.461 8.817 1.00 11.96 O
480+ATOM 50 CB LEU A 6 0.888 27.523 6.486 1.00 13.33 C
481+ATOM 51 CG LEU A 6 1.093 27.605 4.964 1.00 15.17 C
482+ATOM 52 CD1 LEU A 6 2.538 27.996 4.659 1.00 13.67 C
483+ATOM 53 CD2 LEU A 6 0.749 26.272 4.336 1.00 13.14 C
484+ATOM 54 N VAL A 7 -0.170 26.432 9.364 1.00 11.29 N
485+ATOM 55 CA VAL A 7 -0.267 26.691 10.787 1.00 10.98 C
486+ATOM 56 C VAL A 7 1.091 26.405 11.448 1.00 11.40 C
487+ATOM 57 O VAL A 7 1.682 25.360 11.185 1.00 10.51 O
488+ATOM 58 CB VAL A 7 -1.372 25.802 11.404 1.00 9.84 C
489+ATOM 59 CG1 VAL A 7 -1.552 26.169 12.875 1.00 12.43 C
490+ATOM 60 CG2 VAL A 7 -2.698 26.030 10.766 1.00 10.88 C
491+ATOM 61 N VAL A 8 1.605 27.333 12.259 1.00 10.76 N
492+ATOM 62 CA VAL A 8 2.893 27.179 12.917 1.00 9.76 C
493+ATOM 63 C VAL A 8 2.618 26.842 14.371 1.00 11.92 C
494+ATOM 64 O VAL A 8 1.969 27.646 15.074 1.00 11.56 O
495+ATOM 65 CB VAL A 8 3.690 28.481 12.828 1.00 9.60 C
496+ATOM 66 CG1 VAL A 8 5.125 28.227 13.263 1.00 10.79 C
497+ATOM 67 CG2 VAL A 8 3.679 29.010 11.411 1.00 12.22 C
498+ATOM 68 N VAL A 9 3.105 25.677 14.841 1.00 11.30 N
499+ATOM 69 CA VAL A 9 2.792 25.223 16.192 1.00 10.54 C
500+ATOM 70 C VAL A 9 4.094 24.799 16.834 1.00 10.18 C
501+ATOM 71 O VAL A 9 5.077 24.562 16.130 1.00 10.49 O
502+ATOM 72 CB VAL A 9 1.801 23.996 16.206 1.00 10.31 C
503+ATOM 73 CG1 VAL A 9 0.552 24.411 15.495 1.00 11.22 C
504+ATOM 74 CG2 VAL A 9 2.360 22.756 15.496 1.00 10.36 C
505+ATOM 75 N GLY A 10 4.099 24.675 18.158 1.00 8.38 N
506+ATOM 76 CA GLY A 10 5.273 24.275 18.922 1.00 8.62 C
507+ATOM 77 C GLY A 10 5.215 24.973 20.267 1.00 10.53 C
508+ATOM 78 O GLY A 10 4.408 25.891 20.507 1.00 12.43 O
509+ATOM 79 N ALA A 11 6.061 24.485 21.153 1.00 11.52 N
510+ATOM 80 CA ALA A 11 6.166 24.956 22.526 1.00 10.49 C
511+ATOM 81 C ALA A 11 6.515 26.423 22.661 1.00 10.81 C
512+ATOM 82 O ALA A 11 7.060 27.080 21.758 1.00 10.94 O
513+ATOM 83 CB ALA A 11 7.232 24.156 23.268 1.00 9.53 C
514+ATOM 84 N GLY A 12 6.246 26.970 23.838 1.00 12.46 N
515+ATOM 85 CA GLY A 12 6.551 28.372 24.135 1.00 13.97 C
516+ATOM 86 C GLY A 12 8.033 28.737 24.038 1.00 14.75 C
517+ATOM 87 O GLY A 12 8.936 28.109 24.616 1.00 15.53 O
518+ATOM 88 N GLY A 13 8.285 29.798 23.266 1.00 14.67 N
519+ATOM 89 CA GLY A 13 9.624 30.363 23.104 1.00 14.45 C
520+ATOM 90 C GLY A 13 10.532 29.741 22.046 1.00 11.53 C
521+ATOM 91 O GLY A 13 11.703 30.132 21.941 1.00 11.21 O
522+ATOM 92 N VAL A 14 10.027 28.810 21.219 1.00 11.18 N
523+ATOM 93 CA VAL A 14 10.881 28.162 20.206 1.00 10.76 C
524+ATOM 94 C VAL A 14 11.152 29.001 18.973 1.00 10.14 C
525+ATOM 95 O VAL A 14 12.050 28.660 18.207 1.00 11.54 O
526+ATOM 96 CB VAL A 14 10.302 26.801 19.717 1.00 11.53 C
527+ATOM 97 CG1 VAL A 14 10.229 25.862 20.943 1.00 10.78 C
528+ATOM 98 CG2 VAL A 14 8.959 26.981 19.009 1.00 11.03 C
529+ATOM 99 N GLY A 15 10.391 30.080 18.756 1.00 9.06 N
530+ATOM 100 CA GLY A 15 10.639 31.015 17.671 1.00 8.98 C
531+ATOM 101 C GLY A 15 9.613 30.934 16.551 1.00 10.01 C
532+ATOM 102 O GLY A 15 9.867 31.333 15.404 1.00 9.27 O
533+ATOM 103 N LYS A 16 8.403 30.448 16.864 1.00 9.06 N
534+ATOM 104 CA LYS A 16 7.318 30.376 15.875 1.00 8.87 C
535+ATOM 105 C LYS A 16 7.098 31.743 15.240 1.00 9.51 C
536+ATOM 106 O LYS A 16 7.020 31.845 14.013 1.00 9.82 O
537+ATOM 107 CB LYS A 16 5.994 29.945 16.525 1.00 7.76 C
538+ATOM 108 CG LYS A 16 6.084 28.561 17.109 1.00 7.03 C
539+ATOM 109 CD LYS A 16 4.764 28.147 17.759 1.00 8.33 C
540+ATOM 110 CE LYS A 16 4.322 28.945 18.975 1.00 9.04 C
541+ATOM 111 NZ LYS A 16 5.197 28.736 20.110 1.00 10.04 N
542+ATOM 112 N SER A 17 6.964 32.794 16.075 1.00 9.82 N
543+ATOM 113 CA SER A 17 6.697 34.143 15.565 1.00 10.35 C
544+ATOM 114 C SER A 17 7.879 34.700 14.804 1.00 10.88 C
545+ATOM 115 O SER A 17 7.700 35.312 13.748 1.00 11.89 O
546+ATOM 116 CB SER A 17 6.402 35.109 16.687 1.00 10.70 C
547+ATOM 117 OG SER A 17 5.144 34.750 17.209 1.00 9.86 O
548+ATOM 118 N ALA A 18 9.082 34.523 15.364 1.00 10.16 N
549+ATOM 119 CA ALA A 18 10.247 35.073 14.687 1.00 11.02 C
550+ATOM 120 C ALA A 18 10.385 34.431 13.299 1.00 10.36 C
551+ATOM 121 O ALA A 18 10.769 35.109 12.331 1.00 12.09 O
552+ATOM 122 CB ALA A 18 11.538 34.817 15.511 1.00 10.40 C
553+ATOM 123 N LEU A 19 10.084 33.145 13.160 1.00 7.89 N
554+ATOM 124 CA LEU A 19 10.150 32.495 11.853 1.00 9.41 C
555+ATOM 125 C LEU A 19 9.160 33.132 10.911 1.00 10.06 C
556+ATOM 126 O LEU A 19 9.513 33.539 9.796 1.00 10.43 O
557+ATOM 127 CB LEU A 19 9.795 31.014 11.949 1.00 10.43 C
558+ATOM 128 CG LEU A 19 10.870 30.076 12.406 1.00 11.64 C
559+ATOM 129 CD1 LEU A 19 10.176 28.715 12.599 1.00 10.81 C
560+ATOM 130 CD2 LEU A 19 12.070 30.108 11.442 1.00 11.84 C
561+ATOM 131 N THR A 20 7.902 33.232 11.324 1.00 10.65 N
562+ATOM 132 CA THR A 20 6.887 33.834 10.462 1.00 13.00 C
563+ATOM 133 C THR A 20 7.183 35.303 10.074 1.00 13.82 C
564+ATOM 134 O THR A 20 6.976 35.736 8.929 1.00 13.36 O
565+ATOM 135 CB THR A 20 5.539 33.741 11.159 1.00 14.26 C
566+ATOM 136 OG1 THR A 20 5.366 32.405 11.548 1.00 16.02 O
567+ATOM 137 CG2 THR A 20 4.376 34.048 10.238 1.00 15.48 C
568+ATOM 138 N ILE A 21 7.663 36.128 11.011 1.00 12.21 N
569+ATOM 139 CA ILE A 21 7.922 37.512 10.662 1.00 12.46 C
570+ATOM 140 C ILE A 21 9.139 37.610 9.763 1.00 13.97 C
571+ATOM 141 O ILE A 21 9.206 38.520 8.908 1.00 14.26 O
572+ATOM 142 CB ILE A 21 8.089 38.292 11.941 1.00 12.42 C
573+ATOM 143 CG1 ILE A 21 6.709 38.401 12.562 1.00 13.33 C
574+ATOM 144 CG2 ILE A 21 8.624 39.686 11.697 1.00 12.97 C
575+ATOM 145 CD1 ILE A 21 6.761 38.719 14.074 1.00 16.01 C
576+ATOM 146 N GLN A 22 10.112 36.711 9.916 1.00 14.01 N
577+ATOM 147 CA GLN A 22 11.239 36.693 8.992 1.00 14.40 C
578+ATOM 148 C GLN A 22 10.703 36.493 7.610 1.00 16.50 C
579+ATOM 149 O GLN A 22 11.067 37.257 6.702 1.00 15.12 O
580+ATOM 150 CB GLN A 22 12.203 35.570 9.207 1.00 14.59 C
581+ATOM 151 CG GLN A 22 13.417 36.093 9.897 1.00 16.52 C
582+ATOM 152 CD GLN A 22 14.297 37.146 9.215 1.00 15.96 C
583+ATOM 153 OE1 GLN A 22 14.107 37.716 8.131 1.00 16.24 O
584+ATOM 154 NE2 GLN A 22 15.359 37.402 9.941 1.00 15.14 N
585+ATOM 155 N LEU A 23 9.810 35.500 7.473 1.00 16.67 N
586+ATOM 156 CA LEU A 23 9.217 35.245 6.174 1.00 18.58 C
587+ATOM 157 C LEU A 23 8.393 36.426 5.685 1.00 20.34 C
588+ATOM 158 O LEU A 23 8.617 36.872 4.563 1.00 22.77 O
589+ATOM 159 CB LEU A 23 8.297 34.024 6.184 1.00 17.55 C
590+ATOM 160 CG LEU A 23 7.733 33.626 4.803 1.00 18.46 C
591+ATOM 161 CD1 LEU A 23 8.785 32.906 3.935 1.00 17.92 C
592+ATOM 162 CD2 LEU A 23 6.535 32.740 5.043 1.00 18.89 C
593+ATOM 163 N ILE A 24 7.450 36.964 6.452 1.00 21.88 N
594+ATOM 164 CA ILE A 24 6.596 38.028 5.955 1.00 22.87 C
595+ATOM 165 C ILE A 24 7.261 39.407 5.987 1.00 25.24 C
596+ATOM 166 O ILE A 24 7.121 40.154 5.009 1.00 26.54 O
597+ATOM 167 CB ILE A 24 5.258 38.036 6.784 1.00 22.97 C
598+ATOM 168 CG1 ILE A 24 4.568 36.674 6.705 1.00 23.16 C
599+ATOM 169 CG2 ILE A 24 4.274 39.060 6.229 1.00 21.61 C
600+ATOM 170 CD1 ILE A 24 4.159 36.160 5.302 1.00 25.94 C
601+ATOM 171 N GLN A 25 7.962 39.789 7.059 1.00 23.48 N
602+ATOM 172 CA GLN A 25 8.438 41.139 7.139 1.00 24.44 C
603+ATOM 173 C GLN A 25 9.943 41.286 6.998 1.00 22.94 C
604+ATOM 174 O GLN A 25 10.507 42.379 7.158 1.00 22.99 O
605+ATOM 175 CB GLN A 25 7.904 41.738 8.472 1.00 25.07 C
606+ATOM 176 CG GLN A 25 6.363 41.869 8.465 1.00 27.57 C
607+ATOM 177 CD GLN A 25 5.700 42.329 9.762 1.00 28.54 C
608+ATOM 178 OE1 GLN A 25 6.366 42.713 10.719 1.00 29.17 O
609+ATOM 179 NE2 GLN A 25 4.363 42.328 9.852 1.00 28.34 N
610+ATOM 180 N ASN A 26 10.617 40.190 6.680 1.00 22.18 N
611+ATOM 181 CA ASN A 26 12.042 40.179 6.520 1.00 23.56 C
612+ATOM 182 C ASN A 26 12.863 40.822 7.654 1.00 22.91 C
613+ATOM 183 O ASN A 26 13.811 41.577 7.409 1.00 25.41 O
614+ATOM 184 CB ASN A 26 12.347 40.826 5.149 1.00 26.19 C
615+ATOM 185 CG ASN A 26 13.797 40.668 4.715 1.00 28.71 C
616+ATOM 186 OD1 ASN A 26 14.285 39.571 4.402 1.00 30.21 O
617+ATOM 187 ND2 ASN A 26 14.491 41.803 4.697 1.00 30.24 N
618+ATOM 188 N HIS A 27 12.561 40.584 8.932 1.00 19.09 N
619+ATOM 189 CA HIS A 27 13.460 41.032 9.975 1.00 18.21 C
620+ATOM 190 C HIS A 27 13.357 40.145 11.191 1.00 15.69 C
621+ATOM 191 O HIS A 27 12.344 39.468 11.349 1.00 15.44 O
622+ATOM 192 CB HIS A 27 13.212 42.485 10.406 1.00 19.11 C
623+ATOM 193 CG HIS A 27 11.961 42.816 11.151 1.00 20.00 C
624+ATOM 194 ND1 HIS A 27 12.062 43.265 12.376 1.00 21.45 N
625+ATOM 195 CD2 HIS A 27 10.691 42.605 10.728 1.00 21.29 C
626+ATOM 196 CE1 HIS A 27 10.813 43.330 12.760 1.00 21.93 C
627+ATOM 197 NE2 HIS A 27 10.006 42.941 11.791 1.00 22.01 N
628+ATOM 198 N PHE A 28 14.427 40.072 11.979 1.00 15.64 N
629+ATOM 199 CA PHE A 28 14.471 39.237 13.181 1.00 15.21 C
630+ATOM 200 C PHE A 28 13.907 39.937 14.409 1.00 15.63 C
631+ATOM 201 O PHE A 28 14.453 40.978 14.768 1.00 15.64 O
632+ATOM 202 CB PHE A 28 15.900 38.835 13.449 1.00 14.22 C
633+ATOM 203 CG PHE A 28 16.119 38.012 14.713 1.00 16.05 C
634+ATOM 204 CD1 PHE A 28 15.445 36.807 14.872 1.00 14.56 C
635+ATOM 205 CD2 PHE A 28 17.029 38.453 15.667 1.00 16.40 C
636+ATOM 206 CE1 PHE A 28 15.698 36.044 15.983 1.00 15.13 C
637+ATOM 207 CE2 PHE A 28 17.269 37.677 16.787 1.00 16.03 C
638+ATOM 208 CZ PHE A 28 16.603 36.476 16.934 1.00 15.23 C
639+ATOM 209 N VAL A 29 12.836 39.433 15.034 1.00 16.57 N
640+ATOM 210 CA VAL A 29 12.302 40.029 16.258 1.00 20.26 C
641+ATOM 211 C VAL A 29 13.005 39.413 17.465 1.00 19.38 C
642+ATOM 212 O VAL A 29 13.138 38.187 17.643 1.00 20.22 O
643+ATOM 213 CB VAL A 29 10.764 39.826 16.450 1.00 22.76 C
644+ATOM 214 CG1 VAL A 29 10.019 40.537 15.308 1.00 25.49 C
645+ATOM 215 CG2 VAL A 29 10.396 38.343 16.471 1.00 25.22 C
646+ATOM 216 N ASP A 30 13.545 40.301 18.268 1.00 19.20 N
647+ATOM 217 CA ASP A 30 14.256 39.878 19.432 1.00 23.42 C
648+ATOM 218 C ASP A 30 13.672 40.604 20.617 1.00 25.49 C
649+ATOM 219 O ASP A 30 14.220 41.598 21.079 1.00 28.78 O
650+ATOM 220 CB ASP A 30 15.720 40.208 19.271 1.00 26.58 C
651+ATOM 221 CG ASP A 30 16.587 39.740 20.426 1.00 29.11 C
652+ATOM 222 OD1 ASP A 30 16.147 38.975 21.295 1.00 30.12 O
653+ATOM 223 OD2 ASP A 30 17.748 40.143 20.425 1.00 33.90 O
654+ATOM 224 N GLU A 31 12.492 40.217 21.054 1.00 24.67 N
655+ATOM 225 CA GLU A 31 11.888 40.784 22.228 1.00 25.91 C
656+ATOM 226 C GLU A 31 10.859 39.801 22.740 1.00 24.26 C
657+ATOM 227 O GLU A 31 10.490 38.847 22.053 1.00 24.90 O
658+ATOM 228 CB GLU A 31 11.247 42.145 21.918 1.00 29.70 C
659+ATOM 229 CG GLU A 31 10.457 42.383 20.647 1.00 34.92 C
660+ATOM 230 CD GLU A 31 10.187 43.873 20.413 1.00 37.19 C
661+ATOM 231 OE1 GLU A 31 11.132 44.680 20.451 1.00 39.07 O
662+ATOM 232 OE2 GLU A 31 9.030 44.234 20.185 1.00 38.89 O
663+ATOM 233 N TYR A 32 10.387 40.014 23.958 1.00 21.36 N
664+ATOM 234 CA TYR A 32 9.503 39.093 24.633 1.00 18.15 C
665+ATOM 235 C TYR A 32 8.127 39.548 24.245 1.00 17.10 C
666+ATOM 236 O TYR A 32 7.710 40.634 24.637 1.00 17.31 O
667+ATOM 237 CB TYR A 32 9.732 39.211 26.129 1.00 17.50 C
668+ATOM 238 CG TYR A 32 8.924 38.221 26.950 1.00 15.64 C
669+ATOM 239 CD1 TYR A 32 7.647 38.555 27.350 1.00 16.43 C
670+ATOM 240 CD2 TYR A 32 9.477 37.011 27.323 1.00 16.70 C
671+ATOM 241 CE1 TYR A 32 6.900 37.706 28.131 1.00 14.01 C
672+ATOM 242 CE2 TYR A 32 8.720 36.141 28.107 1.00 16.54 C
673+ATOM 243 CZ TYR A 32 7.444 36.499 28.508 1.00 15.66 C
674+ATOM 244 OH TYR A 32 6.710 35.661 29.323 1.00 13.82 O
675+ATOM 245 N ASP A 33 7.401 38.695 23.538 1.00 14.84 N
676+ATOM 246 CA ASP A 33 6.083 39.040 23.030 1.00 15.62 C
677+ATOM 247 C ASP A 33 5.228 37.808 22.736 1.00 13.65 C
678+ATOM 248 O ASP A 33 5.049 37.395 21.579 1.00 13.30 O
679+ATOM 249 CB ASP A 33 6.244 39.879 21.765 1.00 17.31 C
680+ATOM 250 CG ASP A 33 4.941 40.444 21.227 1.00 21.54 C
681+ATOM 251 OD1 ASP A 33 3.887 40.333 21.871 1.00 22.53 O
682+ATOM 252 OD2 ASP A 33 4.996 41.003 20.127 1.00 24.70 O
683+ATOM 253 N PRO A 34 4.698 37.172 23.804 1.00 12.50 N
684+ATOM 254 CA PRO A 34 3.902 35.962 23.705 1.00 12.14 C
685+ATOM 255 C PRO A 34 2.698 36.139 22.796 1.00 11.67 C
686+ATOM 256 O PRO A 34 1.961 37.135 22.852 1.00 11.91 O
687+ATOM 257 CB PRO A 34 3.515 35.611 25.134 1.00 11.59 C
688+ATOM 258 CG PRO A 34 4.539 36.343 25.976 1.00 11.74 C
689+ATOM 259 CD PRO A 34 4.771 37.626 25.203 1.00 12.86 C
690+ATOM 260 N THR A 35 2.485 35.142 21.941 1.00 10.59 N
691+ATOM 261 CA THR A 35 1.386 35.209 20.991 1.00 11.94 C
692+ATOM 262 C THR A 35 0.122 34.641 21.604 1.00 14.12 C
693+ATOM 263 O THR A 35 0.169 33.679 22.369 1.00 12.75 O
694+ATOM 264 CB THR A 35 1.740 34.402 19.706 1.00 12.15 C
695+ATOM 265 OG1 THR A 35 2.931 35.025 19.238 1.00 11.27 O
696+ATOM 266 CG2 THR A 35 0.747 34.455 18.548 1.00 12.75 C
697+ATOM 267 N ILE A 36 -1.003 35.234 21.243 1.00 16.13 N
698+ATOM 268 CA ILE A 36 -2.313 34.684 21.550 1.00 19.12 C
699+ATOM 269 C ILE A 36 -2.655 33.946 20.255 1.00 18.52 C
700+ATOM 270 O ILE A 36 -2.606 32.714 20.222 1.00 18.51 O
701+ATOM 271 CB ILE A 36 -3.335 35.842 21.872 1.00 20.83 C
702+ATOM 272 CG1 ILE A 36 -3.134 36.451 23.278 1.00 22.10 C
703+ATOM 273 CG2 ILE A 36 -4.728 35.231 21.882 1.00 20.33 C
704+ATOM 274 CD1 ILE A 36 -1.767 37.123 23.578 1.00 24.41 C
705+ATOM 275 N GLU A 37 -2.950 34.665 19.150 1.00 20.67 N
706+ATOM 276 CA GLU A 37 -3.199 34.070 17.823 1.00 21.18 C
707+ATOM 277 C GLU A 37 -2.981 35.221 16.860 1.00 20.97 C
708+ATOM 278 O GLU A 37 -3.516 36.294 17.152 1.00 23.61 O
709+ATOM 279 CB GLU A 37 -4.635 33.577 17.654 1.00 24.08 C
710+ATOM 280 CG GLU A 37 -4.885 32.788 16.367 1.00 28.60 C
711+ATOM 281 CD GLU A 37 -6.260 32.102 16.223 1.00 31.80 C
712+ATOM 282 OE1 GLU A 37 -7.295 32.772 16.114 1.00 34.29 O
713+ATOM 283 OE2 GLU A 37 -6.296 30.876 16.173 1.00 33.47 O
714+ATOM 284 N ASP A 38 -2.155 35.097 15.824 1.00 17.95 N
715+ATOM 285 CA ASP A 38 -2.019 36.112 14.782 1.00 18.14 C
716+ATOM 286 C ASP A 38 -2.097 35.474 13.394 1.00 18.90 C
717+ATOM 287 O ASP A 38 -1.690 34.311 13.209 1.00 17.64 O
718+ATOM 288 CB ASP A 38 -0.691 36.836 14.886 1.00 21.35 C
719+ATOM 289 CG ASP A 38 -0.520 37.702 16.129 1.00 21.85 C
720+ATOM 290 OD1 ASP A 38 -1.489 38.294 16.593 1.00 25.77 O
721+ATOM 291 OD2 ASP A 38 0.586 37.807 16.639 1.00 22.93 O
722+ATOM 292 N SER A 39 -2.658 36.220 12.426 1.00 16.93 N
723+ATOM 293 CA SER A 39 -2.840 35.794 11.045 1.00 17.66 C
724+ATOM 294 C SER A 39 -1.983 36.652 10.163 1.00 17.08 C
725+ATOM 295 O SER A 39 -1.869 37.874 10.384 1.00 16.12 O
726+ATOM 296 CB SER A 39 -4.252 35.996 10.506 1.00 19.79 C
727+ATOM 297 OG SER A 39 -5.152 35.028 10.992 1.00 25.88 O
728+ATOM 298 N TYR A 40 -1.370 36.023 9.165 1.00 15.96 N
729+ATOM 299 CA TYR A 40 -0.625 36.801 8.189 1.00 16.94 C
730+ATOM 300 C TYR A 40 -1.070 36.266 6.856 1.00 17.95 C
731+ATOM 301 O TYR A 40 -1.235 35.048 6.730 1.00 18.56 O
732+ATOM 302 CB TYR A 40 0.889 36.617 8.321 1.00 16.58 C
733+ATOM 303 CG TYR A 40 1.406 37.175 9.630 1.00 18.10 C
734+ATOM 304 CD1 TYR A 40 1.811 38.502 9.693 1.00 18.93 C
735+ATOM 305 CD2 TYR A 40 1.483 36.347 10.751 1.00 18.29 C
736+ATOM 306 CE1 TYR A 40 2.302 38.993 10.886 1.00 18.82 C
737+ATOM 307 CE2 TYR A 40 1.963 36.841 11.949 1.00 17.30 C
738+ATOM 308 CZ TYR A 40 2.370 38.158 11.977 1.00 18.76 C
739+ATOM 309 OH TYR A 40 2.850 38.683 13.134 1.00 21.77 O
740+ATOM 310 N ARG A 41 -1.286 37.155 5.872 1.00 18.19 N
741+ATOM 311 CA ARG A 41 -1.718 36.760 4.530 1.00 15.53 C
742+ATOM 312 C ARG A 41 -0.717 37.411 3.599 1.00 17.76 C
743+ATOM 313 O ARG A 41 -0.357 38.580 3.830 1.00 17.44 O
744+ATOM 314 CB ARG A 41 -3.107 37.291 4.269 1.00 17.31 C
745+ATOM 315 CG ARG A 41 -4.164 36.460 4.973 1.00 17.53 C
746+ATOM 316 CD ARG A 41 -5.569 37.064 4.916 1.00 20.20 C
747+ATOM 317 NE ARG A 41 -6.055 37.216 3.552 1.00 20.76 N
748+ATOM 318 CZ ARG A 41 -6.620 36.221 2.868 1.00 20.73 C
749+ATOM 319 NH1 ARG A 41 -6.776 35.001 3.357 1.00 19.14 N
750+ATOM 320 NH2 ARG A 41 -7.044 36.463 1.649 1.00 22.23 N
751+ATOM 321 N LYS A 42 -0.202 36.692 2.588 1.00 16.41 N
752+ATOM 322 CA LYS A 42 0.789 37.278 1.692 1.00 18.01 C
753+ATOM 323 C LYS A 42 0.699 36.598 0.334 1.00 17.04 C
754+ATOM 324 O LYS A 42 0.581 35.365 0.254 1.00 15.48 O
755+ATOM 325 CB LYS A 42 2.232 37.096 2.201 1.00 18.95 C
756+ATOM 326 CG LYS A 42 3.128 37.926 1.279 1.00 22.88 C
757+ATOM 327 CD LYS A 42 4.434 38.345 1.914 1.00 25.20 C
758+ATOM 328 CE LYS A 42 5.149 39.281 0.968 1.00 26.20 C
759+ATOM 329 NZ LYS A 42 4.577 40.621 1.028 1.00 28.49 N
760+ATOM 330 N GLN A 43 0.691 37.441 -0.713 1.00 16.80 N
761+ATOM 331 CA GLN A 43 0.625 36.928 -2.057 1.00 18.61 C
762+ATOM 332 C GLN A 43 2.034 36.559 -2.421 1.00 17.83 C
763+ATOM 333 O GLN A 43 2.902 37.421 -2.273 1.00 17.79 O
764+ATOM 334 CB GLN A 43 0.146 37.963 -3.044 1.00 20.25 C
765+ATOM 335 CG GLN A 43 -1.334 38.357 -2.976 1.00 24.90 C
766+ATOM 336 CD GLN A 43 -1.553 39.525 -3.935 1.00 26.49 C
767+ATOM 337 OE1 GLN A 43 -1.329 39.394 -5.133 1.00 30.38 O
768+ATOM 338 NE2 GLN A 43 -1.938 40.709 -3.491 1.00 27.86 N
769+ATOM 339 N VAL A 44 2.339 35.343 -2.886 1.00 17.74 N
770+ATOM 340 CA VAL A 44 3.708 34.991 -3.286 1.00 17.31 C
771+ATOM 341 C VAL A 44 3.625 34.180 -4.585 1.00 16.53 C
772+ATOM 342 O VAL A 44 2.535 33.824 -5.083 1.00 15.29 O
773+ATOM 343 CB VAL A 44 4.446 34.124 -2.217 1.00 16.57 C
774+ATOM 344 CG1 VAL A 44 4.626 34.877 -0.901 1.00 18.47 C
775+ATOM 345 CG2 VAL A 44 3.617 32.903 -1.928 1.00 15.48 C
776+ATOM 346 N VAL A 45 4.805 33.933 -5.144 1.00 14.46 N
777+ATOM 347 CA VAL A 45 4.898 33.082 -6.309 1.00 13.26 C
778+ATOM 348 C VAL A 45 5.829 31.954 -5.959 1.00 13.08 C
779+ATOM 349 O VAL A 45 7.007 32.225 -5.680 1.00 13.72 O
780+ATOM 350 CB VAL A 45 5.460 33.812 -7.541 1.00 15.20 C
781+ATOM 351 CG1 VAL A 45 5.410 32.819 -8.721 1.00 13.97 C
782+ATOM 352 CG2 VAL A 45 4.652 35.097 -7.826 1.00 14.68 C
783+ATOM 353 N ILE A 46 5.318 30.715 -5.927 1.00 11.55 N
784+ATOM 354 CA ILE A 46 6.185 29.612 -5.575 1.00 12.27 C
785+ATOM 355 C ILE A 46 6.248 28.689 -6.787 1.00 13.28 C
786+ATOM 356 O ILE A 46 5.205 28.205 -7.263 1.00 13.46 O
787+ATOM 357 CB ILE A 46 5.614 28.866 -4.302 1.00 12.26 C
788+ATOM 358 CG1 ILE A 46 5.579 29.848 -3.134 1.00 13.39 C
789+ATOM 359 CG2 ILE A 46 6.504 27.665 -3.903 1.00 12.19 C
790+ATOM 360 CD1 ILE A 46 4.907 29.323 -1.860 1.00 12.98 C
791+ATOM 361 N ASP A 47 7.453 28.381 -7.279 1.00 13.22 N
792+ATOM 362 CA ASP A 47 7.657 27.490 -8.431 1.00 12.90 C
793+ATOM 363 C ASP A 47 6.695 27.804 -9.556 1.00 13.88 C
794+ATOM 364 O ASP A 47 5.977 26.958 -10.096 1.00 16.10 O
795+ATOM 365 CB ASP A 47 7.471 25.995 -8.070 1.00 13.57 C
796+ATOM 366 CG ASP A 47 8.290 25.644 -6.862 1.00 12.83 C
797+ATOM 367 OD1 ASP A 47 9.468 25.968 -6.889 1.00 12.71 O
798+ATOM 368 OD2 ASP A 47 7.739 25.126 -5.892 1.00 11.41 O
799+ATOM 369 N GLY A 48 6.672 29.101 -9.826 1.00 15.19 N
800+ATOM 370 CA GLY A 48 5.859 29.644 -10.900 1.00 17.29 C
801+ATOM 371 C GLY A 48 4.368 29.804 -10.611 1.00 18.09 C
802+ATOM 372 O GLY A 48 3.681 30.432 -11.424 1.00 18.93 O
803+ATOM 373 N GLU A 49 3.829 29.272 -9.518 1.00 17.37 N
804+ATOM 374 CA GLU A 49 2.414 29.374 -9.213 1.00 18.04 C
805+ATOM 375 C GLU A 49 2.168 30.601 -8.362 1.00 18.90 C
806+ATOM 376 O GLU A 49 2.843 30.815 -7.354 1.00 16.90 O
807+ATOM 377 CB GLU A 49 1.955 28.137 -8.445 1.00 18.35 C
808+ATOM 378 CG GLU A 49 0.465 28.162 -8.098 1.00 19.12 C
809+ATOM 379 CD GLU A 49 0.066 27.056 -7.140 1.00 20.16 C
810+ATOM 380 OE1 GLU A 49 0.685 26.916 -6.091 1.00 18.45 O
811+ATOM 381 OE2 GLU A 49 -0.859 26.313 -7.458 1.00 21.95 O
812+ATOM 382 N THR A 50 1.235 31.450 -8.764 1.00 19.21 N
813+ATOM 383 CA THR A 50 0.855 32.596 -7.963 1.00 20.75 C
814+ATOM 384 C THR A 50 -0.040 32.034 -6.864 1.00 18.50 C
815+ATOM 385 O THR A 50 -0.997 31.296 -7.135 1.00 20.07 O
816+ATOM 386 CB THR A 50 0.114 33.623 -8.870 1.00 22.18 C
817+ATOM 387 OG1 THR A 50 -0.382 34.679 -8.042 1.00 25.79 O
818+ATOM 388 CG2 THR A 50 -1.078 33.012 -9.569 1.00 24.74 C
819+ATOM 389 N CYS A 51 0.252 32.323 -5.611 1.00 16.23 N
820+ATOM 390 CA CYS A 51 -0.598 31.825 -4.556 1.00 16.32 C
821+ATOM 391 C CYS A 51 -0.618 32.744 -3.329 1.00 15.40 C
822+ATOM 392 O CYS A 51 0.167 33.691 -3.191 1.00 13.78 O
823+ATOM 393 CB CYS A 51 -0.130 30.404 -4.185 1.00 16.28 C
824+ATOM 394 SG CYS A 51 1.572 30.278 -3.554 1.00 17.84 S
825+ATOM 395 N LEU A 52 -1.558 32.436 -2.447 1.00 16.20 N
826+ATOM 396 CA LEU A 52 -1.673 33.157 -1.199 1.00 18.46 C
827+ATOM 397 C LEU A 52 -1.384 32.256 0.003 1.00 15.43 C
828+ATOM 398 O LEU A 52 -1.946 31.160 0.183 1.00 16.18 O
829+ATOM 399 CB LEU A 52 -3.077 33.741 -1.113 1.00 21.24 C
830+ATOM 400 CG LEU A 52 -3.327 34.688 0.055 1.00 23.04 C
831+ATOM 401 CD1 LEU A 52 -3.506 36.119 -0.404 1.00 23.59 C
832+ATOM 402 CD2 LEU A 52 -4.582 34.218 0.741 1.00 25.14 C
833+ATOM 403 N LEU A 53 -0.427 32.723 0.784 1.00 15.17 N
834+ATOM 404 CA LEU A 53 -0.024 32.083 2.028 1.00 13.81 C
835+ATOM 405 C LEU A 53 -0.878 32.689 3.135 1.00 13.29 C
836+ATOM 406 O LEU A 53 -0.760 33.896 3.392 1.00 13.37 O
837+ATOM 407 CB LEU A 53 1.411 32.385 2.318 1.00 13.83 C
838+ATOM 408 CG LEU A 53 2.586 31.476 1.938 1.00 19.28 C
839+ATOM 409 CD1 LEU A 53 2.248 30.615 0.715 1.00 19.38 C
840+ATOM 410 CD2 LEU A 53 3.841 32.382 1.875 1.00 18.90 C
841+ATOM 411 N ASP A 54 -1.725 31.887 3.773 1.00 13.20 N
842+ATOM 412 CA ASP A 54 -2.529 32.341 4.883 1.00 13.95 C
843+ATOM 413 C ASP A 54 -1.914 31.592 6.067 1.00 13.55 C
844+ATOM 414 O ASP A 54 -2.126 30.378 6.242 1.00 12.79 O
845+ATOM 415 CB ASP A 54 -3.970 31.954 4.644 1.00 17.88 C
846+ATOM 416 CG ASP A 54 -4.846 32.524 5.749 1.00 23.43 C
847+ATOM 417 OD1 ASP A 54 -4.636 32.182 6.911 1.00 26.85 O
848+ATOM 418 OD2 ASP A 54 -5.743 33.315 5.472 1.00 27.34 O
849+ATOM 419 N ILE A 55 -1.133 32.308 6.872 1.00 12.01 N
850+ATOM 420 CA ILE A 55 -0.358 31.696 7.944 1.00 13.28 C
851+ATOM 421 C ILE A 55 -0.912 32.039 9.327 1.00 14.78 C
852+ATOM 422 O ILE A 55 -1.126 33.225 9.636 1.00 13.63 O
853+ATOM 423 CB ILE A 55 1.094 32.161 7.885 1.00 13.94 C
854+ATOM 424 CG1 ILE A 55 1.755 31.780 6.555 1.00 16.67 C
855+ATOM 425 CG2 ILE A 55 1.853 31.457 8.988 1.00 15.03 C
856+ATOM 426 CD1 ILE A 55 3.112 32.432 6.247 1.00 16.85 C
857+ATOM 427 N LEU A 56 -1.122 30.993 10.147 1.00 12.34 N
858+ATOM 428 CA LEU A 56 -1.606 31.232 11.492 1.00 13.19 C
859+ATOM 429 C LEU A 56 -0.473 30.977 12.451 1.00 11.14 C
860+ATOM 430 O LEU A 56 0.083 29.870 12.468 1.00 11.36 O
861+ATOM 431 CB LEU A 56 -2.757 30.301 11.861 1.00 13.94 C
862+ATOM 432 CG LEU A 56 -3.508 30.672 13.145 1.00 15.29 C
863+ATOM 433 CD1 LEU A 56 -4.410 31.877 12.874 1.00 16.29 C
864+ATOM 434 CD2 LEU A 56 -4.368 29.524 13.593 1.00 17.00 C
865+ATOM 435 N ASP A 57 -0.176 32.012 13.236 1.00 10.88 N
866+ATOM 436 CA ASP A 57 0.878 31.980 14.223 1.00 11.48 C
867+ATOM 437 C ASP A 57 0.238 31.743 15.564 1.00 12.99 C
868+ATOM 438 O ASP A 57 -0.613 32.531 16.015 1.00 14.17 O
869+ATOM 439 CB ASP A 57 1.605 33.287 14.248 1.00 10.77 C
870+ATOM 440 CG ASP A 57 2.868 33.251 15.119 1.00 12.96 C
871+ATOM 441 OD1 ASP A 57 3.364 32.179 15.470 1.00 11.09 O
872+ATOM 442 OD2 ASP A 57 3.362 34.335 15.447 1.00 13.30 O
873+ATOM 443 N THR A 58 0.610 30.644 16.229 1.00 15.77 N
874+ATOM 444 CA THR A 58 -0.144 30.265 17.432 1.00 15.72 C
875+ATOM 445 C THR A 58 0.559 30.474 18.748 1.00 15.13 C
876+ATOM 446 O THR A 58 1.757 30.728 18.836 1.00 16.03 O
877+ATOM 447 CB THR A 58 -0.581 28.790 17.285 1.00 14.82 C
878+ATOM 448 OG1 THR A 58 0.576 27.973 17.429 1.00 14.59 O
879+ATOM 449 CG2 THR A 58 -1.250 28.532 15.919 1.00 13.43 C
880+ATOM 450 N ALA A 59 -0.177 30.352 19.847 1.00 17.00 N
881+ATOM 451 CA ALA A 59 0.389 30.456 21.188 1.00 15.53 C
882+ATOM 452 C ALA A 59 1.111 29.185 21.538 1.00 14.63 C
883+ATOM 453 O ALA A 59 0.641 28.088 21.235 1.00 14.45 O
884+ATOM 454 CB ALA A 59 -0.715 30.645 22.244 1.00 14.44 C
885+ATOM 455 N GLY A 60 2.231 29.262 22.231 1.00 16.99 N
886+ATOM 456 CA GLY A 60 2.859 28.068 22.758 1.00 22.67 C
887+ATOM 457 C GLY A 60 2.131 27.532 23.988 1.00 26.91 C
888+ATOM 458 O GLY A 60 2.164 26.334 24.223 1.00 27.98 O
889+ATOM 459 N GLN A 61 1.448 28.364 24.774 1.00 32.19 N
890+ATOM 460 CA GLN A 61 0.832 27.982 26.057 1.00 37.29 C
891+ATOM 461 C GLN A 61 -0.392 27.069 26.082 1.00 39.01 C
892+ATOM 462 O GLN A 61 -1.098 26.928 25.092 1.00 39.08 O
893+ATOM 463 CB GLN A 61 0.512 29.261 26.803 1.00 39.02 C
894+ATOM 464 CG GLN A 61 1.668 29.969 27.508 1.00 40.32 C
895+ATOM 465 CD GLN A 61 2.138 29.235 28.756 1.00 42.01 C
896+ATOM 466 OE1 GLN A 61 2.827 28.229 28.683 1.00 42.70 O
897+ATOM 467 NE2 GLN A 61 1.796 29.662 29.960 1.00 41.99 N
898+ATOM 468 N GLU A 62 -0.669 26.430 27.228 1.00 42.31 N
899+ATOM 469 CA GLU A 62 -1.679 25.377 27.386 1.00 43.48 C
900+ATOM 470 C GLU A 62 -3.133 25.761 27.476 1.00 43.54 C
901+ATOM 471 O GLU A 62 -3.987 24.931 27.147 1.00 43.73 O
902+ATOM 472 CB GLU A 62 -1.282 24.527 28.619 1.00 44.44 C
903+ATOM 473 CG GLU A 62 -2.288 24.174 29.746 1.00 47.12 C
904+ATOM 474 CD GLU A 62 -2.785 25.315 30.658 1.00 48.47 C
905+ATOM 475 OE1 GLU A 62 -1.981 26.151 31.096 1.00 48.81 O
906+ATOM 476 OE2 GLU A 62 -3.987 25.357 30.945 1.00 48.42 O
907+ATOM 477 N GLU A 63 -3.414 26.971 27.957 1.00 45.52 N
908+ATOM 478 CA GLU A 63 -4.781 27.454 28.100 1.00 46.89 C
909+ATOM 479 C GLU A 63 -5.541 27.200 26.813 1.00 47.38 C
910+ATOM 480 O GLU A 63 -5.226 27.717 25.746 1.00 47.10 O
911+ATOM 481 CB GLU A 63 -4.879 28.954 28.358 1.00 47.46 C
912+ATOM 482 CG GLU A 63 -3.947 29.495 29.438 1.00 48.01 C
913+ATOM 483 CD GLU A 63 -2.496 29.523 28.972 1.00 48.19 C
914+ATOM 484 OE1 GLU A 63 -2.229 30.159 27.949 1.00 46.96 O
915+ATOM 485 OE2 GLU A 63 -1.643 28.895 29.612 1.00 48.99 O
916+ATOM 486 N TYR A 64 -6.529 26.326 27.012 1.00 48.61 N
917+ATOM 487 CA TYR A 64 -7.481 25.839 26.030 1.00 48.21 C
918+ATOM 488 C TYR A 64 -6.813 24.851 25.064 1.00 48.32 C
919+ATOM 489 O TYR A 64 -6.908 25.036 23.843 1.00 49.22 O
920+ATOM 490 CB TYR A 64 -8.076 26.982 25.215 1.00 48.30 C
921+ATOM 491 CG TYR A 64 -8.448 28.298 25.874 1.00 48.60 C
922+ATOM 492 CD1 TYR A 64 -8.738 28.407 27.223 1.00 49.27 C
923+ATOM 493 CD2 TYR A 64 -8.534 29.397 25.043 1.00 48.74 C
924+ATOM 494 CE1 TYR A 64 -9.125 29.624 27.737 1.00 49.27 C
925+ATOM 495 CE2 TYR A 64 -8.919 30.615 25.543 1.00 49.22 C
926+ATOM 496 CZ TYR A 64 -9.214 30.707 26.888 1.00 49.76 C
927+ATOM 497 OH TYR A 64 -9.657 31.914 27.379 1.00 50.85 O
928+ATOM 498 N SER A 65 -6.186 23.742 25.493 1.00 47.56 N
929+ATOM 499 CA SER A 65 -5.586 22.830 24.521 1.00 47.96 C
930+ATOM 500 C SER A 65 -6.654 22.406 23.515 1.00 46.86 C
931+ATOM 501 O SER A 65 -6.358 22.241 22.329 1.00 46.02 O
932+ATOM 502 CB SER A 65 -5.008 21.591 25.196 1.00 49.47 C
933+ATOM 503 OG SER A 65 -3.604 21.478 24.968 1.00 51.90 O
934+ATOM 504 N ALA A 66 -7.918 22.257 23.921 1.00 45.50 N
935+ATOM 505 CA ALA A 66 -8.995 22.027 22.965 1.00 43.35 C
936+ATOM 506 C ALA A 66 -9.276 23.235 22.056 1.00 41.57 C
937+ATOM 507 O ALA A 66 -9.929 23.046 21.032 1.00 41.45 O
938+ATOM 508 CB ALA A 66 -10.266 21.664 23.722 1.00 43.47 C
939+ATOM 509 N MET A 67 -8.848 24.497 22.302 1.00 39.82 N
940+ATOM 510 CA MET A 67 -9.043 25.587 21.327 1.00 37.96 C
941+ATOM 511 C MET A 67 -7.956 25.443 20.251 1.00 36.46 C
942+ATOM 512 O MET A 67 -7.910 26.241 19.292 1.00 34.75 O
943+ATOM 513 CB MET A 67 -8.867 27.005 21.902 1.00 41.04 C
944+ATOM 514 CG MET A 67 -10.094 27.915 21.715 1.00 42.82 C
945+ATOM 515 SD MET A 67 -10.041 29.642 22.277 1.00 45.66 S
946+ATOM 516 CE MET A 67 -11.233 30.464 21.255 1.00 43.39 C
947+ATOM 517 N ARG A 68 -7.029 24.462 20.380 1.00 32.09 N
948+ATOM 518 CA ARG A 68 -6.117 24.205 19.291 1.00 29.81 C
949+ATOM 519 C ARG A 68 -6.964 23.402 18.297 1.00 27.62 C
950+ATOM 520 O ARG A 68 -6.776 23.562 17.085 1.00 27.66 O
951+ATOM 521 CB ARG A 68 -4.928 23.300 19.614 1.00 32.03 C
952+ATOM 522 CG ARG A 68 -4.065 23.327 20.889 1.00 34.91 C
953+ATOM 523 CD ARG A 68 -3.082 24.436 21.240 1.00 37.42 C
954+ATOM 524 NE ARG A 68 -2.389 24.003 22.460 1.00 39.51 N
955+ATOM 525 CZ ARG A 68 -1.398 24.676 23.060 1.00 40.34 C
956+ATOM 526 NH1 ARG A 68 -0.974 25.862 22.622 1.00 41.08 N
957+ATOM 527 NH2 ARG A 68 -0.834 24.140 24.140 1.00 38.99 N
958+ATOM 528 N ASP A 69 -7.940 22.563 18.691 1.00 23.54 N
959+ATOM 529 CA ASP A 69 -8.705 21.757 17.742 1.00 21.27 C
960+ATOM 530 C ASP A 69 -9.274 22.563 16.599 1.00 19.77 C
961+ATOM 531 O ASP A 69 -9.256 22.188 15.426 1.00 18.51 O
962+ATOM 532 CB ASP A 69 -9.900 21.058 18.383 1.00 22.06 C
963+ATOM 533 CG ASP A 69 -9.581 19.956 19.372 1.00 23.15 C
964+ATOM 534 OD1 ASP A 69 -8.426 19.775 19.737 1.00 24.62 O
965+ATOM 535 OD2 ASP A 69 -10.501 19.254 19.782 1.00 24.94 O
966+ATOM 536 N GLN A 70 -9.724 23.749 16.917 1.00 20.44 N
967+ATOM 537 CA GLN A 70 -10.351 24.538 15.891 1.00 23.04 C
968+ATOM 538 C GLN A 70 -9.338 24.929 14.821 1.00 22.09 C
969+ATOM 539 O GLN A 70 -9.640 24.773 13.631 1.00 22.49 O
970+ATOM 540 CB GLN A 70 -10.968 25.753 16.546 1.00 25.34 C
971+ATOM 541 CG GLN A 70 -11.766 26.446 15.484 1.00 28.11 C
972+ATOM 542 CD GLN A 70 -12.535 27.648 15.963 1.00 29.51 C
973+ATOM 543 OE1 GLN A 70 -12.030 28.486 16.706 1.00 31.10 O
974+ATOM 544 NE2 GLN A 70 -13.777 27.723 15.500 1.00 31.59 N
975+ATOM 545 N TYR A 71 -8.128 25.378 15.194 1.00 20.71 N
976+ATOM 546 CA TYR A 71 -7.204 25.774 14.136 1.00 20.29 C
977+ATOM 547 C TYR A 71 -6.523 24.573 13.537 1.00 19.82 C
978+ATOM 548 O TYR A 71 -6.089 24.628 12.384 1.00 20.05 O
979+ATOM 549 CB TYR A 71 -6.145 26.769 14.637 1.00 20.48 C
980+ATOM 550 CG TYR A 71 -5.102 26.385 15.679 1.00 20.54 C
981+ATOM 551 CD1 TYR A 71 -4.198 25.360 15.467 1.00 20.81 C
982+ATOM 552 CD2 TYR A 71 -5.042 27.135 16.836 1.00 20.90 C
983+ATOM 553 CE1 TYR A 71 -3.230 25.084 16.404 1.00 20.88 C
984+ATOM 554 CE2 TYR A 71 -4.080 26.865 17.778 1.00 21.59 C
985+ATOM 555 CZ TYR A 71 -3.185 25.847 17.549 1.00 22.06 C
986+ATOM 556 OH TYR A 71 -2.200 25.603 18.482 1.00 24.37 O
987+ATOM 557 N MET A 72 -6.456 23.468 14.276 1.00 17.89 N
988+ATOM 558 CA MET A 72 -5.948 22.252 13.666 1.00 20.48 C
989+ATOM 559 C MET A 72 -6.914 21.680 12.600 1.00 20.90 C
990+ATOM 560 O MET A 72 -6.473 21.205 11.543 1.00 19.14 O
991+ATOM 561 CB MET A 72 -5.693 21.242 14.753 1.00 18.40 C
992+ATOM 562 CG MET A 72 -4.510 21.665 15.561 1.00 18.63 C
993+ATOM 563 SD MET A 72 -4.084 20.471 16.838 1.00 20.15 S
994+ATOM 564 CE MET A 72 -2.537 21.235 17.313 1.00 16.95 C
995+ATOM 565 N ARG A 73 -8.231 21.752 12.812 1.00 20.69 N
996+ATOM 566 CA ARG A 73 -9.167 21.226 11.828 1.00 22.59 C
997+ATOM 567 C ARG A 73 -9.077 21.905 10.447 1.00 22.64 C
998+ATOM 568 O ARG A 73 -9.083 21.257 9.386 1.00 21.87 O
999+ATOM 569 CB ARG A 73 -10.566 21.362 12.424 1.00 23.77 C
1000+ATOM 570 CG ARG A 73 -11.650 20.621 11.666 1.00 25.01 C
1001+ATOM 571 CD ARG A 73 -12.950 20.685 12.455 1.00 26.56 C
1002+ATOM 572 NE ARG A 73 -12.866 19.861 13.643 1.00 29.02 N
1003+ATOM 573 CZ ARG A 73 -12.927 20.343 14.894 1.00 29.92 C
1004+ATOM 574 NH1 ARG A 73 -13.084 21.634 15.164 1.00 30.75 N
1005+ATOM 575 NH2 ARG A 73 -12.815 19.503 15.910 1.00 30.74 N
1006+ATOM 576 N THR A 74 -8.925 23.228 10.480 1.00 21.95 N
1007+ATOM 577 CA THR A 74 -8.861 24.077 9.301 1.00 23.80 C
1008+ATOM 578 C THR A 74 -7.526 24.132 8.568 1.00 21.05 C
1009+ATOM 579 O THR A 74 -7.490 24.450 7.368 1.00 21.29 O
1010+ATOM 580 CB THR A 74 -9.316 25.485 9.760 1.00 24.03 C
1011+ATOM 581 OG1 THR A 74 -10.702 25.307 10.013 1.00 28.40 O
1012+ATOM 582 CG2 THR A 74 -9.151 26.614 8.783 1.00 26.24 C
1013+ATOM 583 N GLY A 75 -6.425 23.879 9.266 1.00 18.04 N
1014+ATOM 584 CA GLY A 75 -5.104 23.986 8.661 1.00 16.27 C
1015+ATOM 585 C GLY A 75 -4.851 22.936 7.598 1.00 14.12 C
1016+ATOM 586 O GLY A 75 -5.252 21.778 7.748 1.00 15.11 O
1017+ATOM 587 N GLU A 76 -4.184 23.290 6.508 1.00 13.72 N
1018+ATOM 588 CA GLU A 76 -3.884 22.283 5.501 1.00 14.37 C
1019+ATOM 589 C GLU A 76 -2.512 21.654 5.727 1.00 14.34 C
1020+ATOM 590 O GLU A 76 -2.299 20.484 5.405 1.00 13.34 O
1021+ATOM 591 CB GLU A 76 -3.912 22.891 4.127 1.00 14.92 C
1022+ATOM 592 CG GLU A 76 -5.337 23.310 3.740 1.00 18.91 C
1023+ATOM 593 CD GLU A 76 -5.300 24.006 2.387 1.00 21.63 C
1024+ATOM 594 OE1 GLU A 76 -4.797 25.125 2.295 1.00 21.45 O
1025+ATOM 595 OE2 GLU A 76 -5.726 23.419 1.405 1.00 23.57 O
1026+ATOM 596 N GLY A 77 -1.577 22.419 6.331 1.00 13.86 N
1027+ATOM 597 CA GLY A 77 -0.235 21.951 6.564 1.00 10.44 C
1028+ATOM 598 C GLY A 77 0.289 22.588 7.839 1.00 10.03 C
1029+ATOM 599 O GLY A 77 -0.149 23.689 8.195 1.00 10.31 O
1030+ATOM 600 N PHE A 78 1.230 21.920 8.521 1.00 10.08 N
1031+ATOM 601 CA PHE A 78 1.717 22.401 9.803 1.00 10.74 C
1032+ATOM 602 C PHE A 78 3.234 22.463 9.864 1.00 10.87 C
1033+ATOM 603 O PHE A 78 3.920 21.535 9.429 1.00 9.53 O
1034+ATOM 604 CB PHE A 78 1.219 21.477 10.946 1.00 9.73 C
1035+ATOM 605 CG PHE A 78 -0.304 21.381 11.007 1.00 10.59 C
1036+ATOM 606 CD1 PHE A 78 -0.999 20.576 10.116 1.00 9.66 C
1037+ATOM 607 CD2 PHE A 78 -0.999 22.149 11.926 1.00 12.52 C
1038+ATOM 608 CE1 PHE A 78 -2.379 20.545 10.134 1.00 10.64 C
1039+ATOM 609 CE2 PHE A 78 -2.392 22.114 11.932 1.00 13.24 C
1040+ATOM 610 CZ PHE A 78 -3.077 21.317 11.036 1.00 12.28 C
1041+ATOM 611 N LEU A 79 3.793 23.544 10.381 1.00 9.95 N
1042+ATOM 612 CA LEU A 79 5.228 23.546 10.668 1.00 10.80 C
1043+ATOM 613 C LEU A 79 5.310 23.226 12.156 1.00 12.26 C
1044+ATOM 614 O LEU A 79 4.801 24.004 12.980 1.00 12.44 O
1045+ATOM 615 CB LEU A 79 5.910 24.896 10.499 1.00 13.24 C
1046+ATOM 616 CG LEU A 79 6.262 25.448 9.143 1.00 16.05 C
1047+ATOM 617 CD1 LEU A 79 7.195 26.634 9.329 1.00 17.07 C
1048+ATOM 618 CD2 LEU A 79 7.057 24.437 8.346 1.00 15.77 C
1049+ATOM 619 N CYS A 80 5.896 22.101 12.517 1.00 11.40 N
1050+ATOM 620 CA CYS A 80 6.047 21.690 13.913 1.00 11.84 C
1051+ATOM 621 C CYS A 80 7.437 22.104 14.350 1.00 9.15 C
1052+ATOM 622 O CYS A 80 8.455 21.517 13.946 1.00 9.61 O
1053+ATOM 623 CB CYS A 80 5.876 20.193 13.998 1.00 14.44 C
1054+ATOM 624 SG CYS A 80 4.164 19.719 13.644 1.00 19.30 S
1055+ATOM 625 N VAL A 81 7.492 23.142 15.175 1.00 8.36 N
1056+ATOM 626 CA VAL A 81 8.766 23.778 15.499 1.00 8.01 C
1057+ATOM 627 C VAL A 81 9.269 23.436 16.882 1.00 9.29 C
1058+ATOM 628 O VAL A 81 8.469 23.492 17.834 1.00 8.59 O
1059+ATOM 629 CB VAL A 81 8.620 25.328 15.382 1.00 8.31 C
1060+ATOM 630 CG1 VAL A 81 10.014 25.922 15.454 1.00 9.90 C
1061+ATOM 631 CG2 VAL A 81 8.042 25.793 14.035 1.00 8.35 C
1062+ATOM 632 N PHE A 82 10.545 23.073 17.016 1.00 9.30 N
1063+ATOM 633 CA PHE A 82 11.180 23.024 18.324 1.00 9.44 C
1064+ATOM 634 C PHE A 82 12.480 23.831 18.237 1.00 9.71 C
1065+ATOM 635 O PHE A 82 12.908 24.277 17.153 1.00 11.00 O
1066+ATOM 636 CB PHE A 82 11.480 21.548 18.777 1.00 9.01 C
1067+ATOM 637 CG PHE A 82 12.529 20.810 17.936 1.00 10.06 C
1068+ATOM 638 CD1 PHE A 82 12.129 20.120 16.803 1.00 8.82 C
1069+ATOM 639 CD2 PHE A 82 13.880 20.870 18.271 1.00 10.45 C
1070+ATOM 640 CE1 PHE A 82 13.062 19.491 16.006 1.00 9.94 C
1071+ATOM 641 CE2 PHE A 82 14.813 20.233 17.454 1.00 9.42 C
1072+ATOM 642 CZ PHE A 82 14.402 19.552 16.322 1.00 10.16 C
1073+ATOM 643 N ALA A 83 13.147 24.056 19.362 1.00 8.77 N
1074+ATOM 644 CA ALA A 83 14.417 24.796 19.338 1.00 10.28 C
1075+ATOM 645 C ALA A 83 15.540 23.828 19.671 1.00 9.49 C
1076+ATOM 646 O ALA A 83 15.406 23.022 20.607 1.00 8.40 O
1077+ATOM 647 CB ALA A 83 14.390 25.939 20.368 1.00 9.40 C
1078+ATOM 648 N ILE A 84 16.654 23.891 18.940 1.00 10.76 N
1079+ATOM 649 CA ILE A 84 17.724 22.889 19.092 1.00 12.94 C
1080+ATOM 650 C ILE A 84 18.491 22.984 20.427 1.00 14.25 C
1081+ATOM 651 O ILE A 84 19.320 22.108 20.786 1.00 15.24 O
1082+ATOM 652 CB ILE A 84 18.752 22.956 17.872 1.00 13.97 C
1083+ATOM 653 CG1 ILE A 84 19.455 24.301 17.657 1.00 14.11 C
1084+ATOM 654 CG2 ILE A 84 17.921 22.565 16.629 1.00 12.53 C
1085+ATOM 655 CD1 ILE A 84 20.619 24.719 18.573 1.00 14.57 C
1086+ATOM 656 N ASN A 85 18.214 24.058 21.184 1.00 13.29 N
1087+ATOM 657 CA ASN A 85 18.828 24.237 22.487 1.00 16.91 C
1088+ATOM 658 C ASN A 85 17.817 23.973 23.600 1.00 16.87 C
1089+ATOM 659 O ASN A 85 18.017 24.400 24.750 1.00 16.28 O
1090+ATOM 660 CB ASN A 85 19.373 25.663 22.637 1.00 15.58 C
1091+ATOM 661 CG ASN A 85 18.284 26.737 22.727 1.00 15.19 C
1092+ATOM 662 OD1 ASN A 85 17.186 26.617 22.194 1.00 15.53 O
1093+ATOM 663 ND2 ASN A 85 18.552 27.816 23.435 1.00 15.78 N
1094+ATOM 664 N ASN A 86 16.674 23.342 23.285 1.00 18.68 N
1095+ATOM 665 CA ASN A 86 15.705 23.079 24.320 1.00 17.66 C
1096+ATOM 666 C ASN A 86 15.069 21.706 24.131 1.00 17.17 C
1097+ATOM 667 O ASN A 86 14.110 21.505 23.378 1.00 16.67 O
1098+ATOM 668 CB ASN A 86 14.664 24.207 24.311 1.00 20.09 C
1099+ATOM 669 CG ASN A 86 13.782 24.105 25.540 1.00 23.32 C
1100+ATOM 670 OD1 ASN A 86 14.014 24.659 26.623 1.00 26.42 O
1101+ATOM 671 ND2 ASN A 86 12.740 23.319 25.386 1.00 25.08 N
1102+ATOM 672 N THR A 87 15.605 20.732 24.859 1.00 16.81 N
1103+ATOM 673 CA THR A 87 15.174 19.349 24.797 1.00 18.21 C
1104+ATOM 674 C THR A 87 13.683 19.152 25.092 1.00 18.31 C
1105+ATOM 675 O THR A 87 12.983 18.445 24.345 1.00 15.46 O
1106+ATOM 676 CB THR A 87 16.090 18.559 25.763 1.00 19.15 C
1107+ATOM 677 OG1 THR A 87 17.361 18.618 25.118 1.00 20.82 O
1108+ATOM 678 CG2 THR A 87 15.730 17.121 26.016 1.00 20.83 C
1109+ATOM 679 N LYS A 88 13.131 19.850 26.086 1.00 16.88 N
1110+ATOM 680 CA LYS A 88 11.725 19.690 26.384 1.00 18.79 C
1111+ATOM 681 C LYS A 88 10.906 20.045 25.125 1.00 17.85 C
1112+ATOM 682 O LYS A 88 9.930 19.370 24.775 1.00 16.48 O
1113+ATOM 683 CB LYS A 88 11.330 20.615 27.562 1.00 21.88 C
1114+ATOM 684 CG LYS A 88 9.976 20.230 28.154 1.00 27.28 C
1115+ATOM 685 CD LYS A 88 9.382 21.188 29.191 1.00 30.37 C
1116+ATOM 686 CE LYS A 88 10.224 21.363 30.475 1.00 33.38 C
1117+ATOM 687 NZ LYS A 88 9.559 22.242 31.436 1.00 33.39 N
1118+ATOM 688 N SER A 89 11.335 21.073 24.377 1.00 13.71 N
1119+ATOM 689 CA SER A 89 10.514 21.475 23.243 1.00 12.89 C
1120+ATOM 690 C SER A 89 10.511 20.374 22.196 1.00 11.98 C
1121+ATOM 691 O SER A 89 9.514 20.253 21.499 1.00 10.84 O
1122+ATOM 692 CB SER A 89 11.026 22.760 22.591 1.00 12.53 C
1123+ATOM 693 OG SER A 89 12.292 22.737 21.956 1.00 11.68 O
1124+ATOM 694 N PHE A 90 11.615 19.621 22.076 1.00 11.39 N
1125+ATOM 695 CA PHE A 90 11.730 18.546 21.107 1.00 12.98 C
1126+ATOM 696 C PHE A 90 10.785 17.409 21.515 1.00 16.64 C
1127+ATOM 697 O PHE A 90 10.022 16.851 20.713 1.00 15.03 O
1128+ATOM 698 CB PHE A 90 13.195 18.090 21.068 1.00 14.31 C
1129+ATOM 699 CG PHE A 90 13.424 16.912 20.124 1.00 16.73 C
1130+ATOM 700 CD1 PHE A 90 13.140 17.026 18.772 1.00 17.56 C
1131+ATOM 701 CD2 PHE A 90 13.884 15.702 20.627 1.00 17.61 C
1132+ATOM 702 CE1 PHE A 90 13.318 15.938 17.930 1.00 17.66 C
1133+ATOM 703 CE2 PHE A 90 14.046 14.617 19.779 1.00 17.82 C
1134+ATOM 704 CZ PHE A 90 13.758 14.725 18.441 1.00 17.61 C
1135+ATOM 705 N GLU A 91 10.758 17.109 22.813 1.00 18.35 N
1136+ATOM 706 CA GLU A 91 9.861 16.101 23.376 1.00 21.95 C
1137+ATOM 707 C GLU A 91 8.392 16.458 23.219 1.00 21.45 C
1138+ATOM 708 O GLU A 91 7.556 15.606 22.916 1.00 21.69 O
1139+ATOM 709 CB GLU A 91 10.198 15.924 24.853 1.00 24.58 C
1140+ATOM 710 CG GLU A 91 11.613 15.395 24.962 1.00 28.21 C
1141+ATOM 711 CD GLU A 91 12.113 15.079 26.347 1.00 31.41 C
1142+ATOM 712 OE1 GLU A 91 11.555 15.560 27.338 1.00 32.87 O
1143+ATOM 713 OE2 GLU A 91 13.084 14.329 26.411 1.00 32.54 O
1144+ATOM 714 N ASP A 92 8.036 17.715 23.436 1.00 20.50 N
1145+ATOM 715 CA ASP A 92 6.684 18.196 23.182 1.00 21.08 C
1146+ATOM 716 C ASP A 92 6.157 17.969 21.755 1.00 19.55 C
1147+ATOM 717 O ASP A 92 4.932 17.912 21.527 1.00 17.62 O
1148+ATOM 718 CB ASP A 92 6.619 19.692 23.488 1.00 22.88 C
1149+ATOM 719 CG ASP A 92 6.565 20.064 24.970 1.00 24.29 C
1150+ATOM 720 OD1 ASP A 92 6.455 19.176 25.821 1.00 23.22 O
1151+ATOM 721 OD2 ASP A 92 6.644 21.262 25.261 1.00 26.30 O
1152+ATOM 722 N ILE A 93 7.032 17.823 20.753 1.00 17.45 N
1153+ATOM 723 CA ILE A 93 6.578 17.666 19.368 1.00 18.21 C
1154+ATOM 724 C ILE A 93 5.527 16.559 19.252 1.00 18.25 C
1155+ATOM 725 O ILE A 93 4.465 16.715 18.626 1.00 17.64 O
1156+ATOM 726 CB ILE A 93 7.802 17.342 18.429 1.00 17.92 C
1157+ATOM 727 CG1 ILE A 93 8.633 18.596 18.236 1.00 18.31 C
1158+ATOM 728 CG2 ILE A 93 7.326 16.755 17.104 1.00 18.24 C
1159+ATOM 729 CD1 ILE A 93 8.053 19.727 17.370 1.00 20.61 C
1160+ATOM 730 N HIS A 94 5.838 15.436 19.898 1.00 18.45 N
1161+ATOM 731 CA HIS A 94 5.034 14.237 19.830 1.00 18.25 C
1162+ATOM 732 C HIS A 94 3.591 14.637 20.169 1.00 17.03 C
1163+ATOM 733 O HIS A 94 2.660 14.327 19.409 1.00 16.77 O
1164+ATOM 734 CB HIS A 94 5.657 13.202 20.819 1.00 20.46 C
1165+ATOM 735 CG HIS A 94 7.191 13.001 20.683 1.00 25.91 C
1166+ATOM 736 ND1 HIS A 94 8.067 14.018 20.706 1.00 26.90 N
1167+ATOM 737 CD2 HIS A 94 7.853 11.783 20.642 1.00 27.09 C
1168+ATOM 738 CE1 HIS A 94 9.260 13.434 20.689 1.00 28.10 C
1169+ATOM 739 NE2 HIS A 94 9.130 12.113 20.651 1.00 27.07 N
1170+ATOM 740 N GLN A 95 3.370 15.426 21.240 1.00 16.48 N
1171+ATOM 741 CA GLN A 95 2.025 15.819 21.631 1.00 19.09 C
1172+ATOM 742 C GLN A 95 1.316 16.640 20.571 1.00 17.74 C
1173+ATOM 743 O GLN A 95 0.103 16.460 20.370 1.00 18.33 O
1174+ATOM 744 CB GLN A 95 2.032 16.642 22.936 1.00 21.91 C
1175+ATOM 745 CG GLN A 95 1.842 15.873 24.260 1.00 26.26 C
1176+ATOM 746 CD GLN A 95 2.762 14.680 24.516 1.00 28.32 C
1177+ATOM 747 OE1 GLN A 95 3.931 14.802 24.862 1.00 30.24 O
1178+ATOM 748 NE2 GLN A 95 2.271 13.458 24.380 1.00 30.51 N
1179+ATOM 749 N TYR A 96 1.998 17.565 19.877 1.00 16.32 N
1180+ATOM 750 CA TYR A 96 1.327 18.330 18.832 1.00 16.12 C
1181+ATOM 751 C TYR A 96 1.012 17.423 17.651 1.00 15.00 C
1182+ATOM 752 O TYR A 96 -0.123 17.464 17.161 1.00 15.21 O
1183+ATOM 753 CB TYR A 96 2.192 19.489 18.355 1.00 19.02 C
1184+ATOM 754 CG TYR A 96 2.391 20.566 19.414 1.00 19.68 C
1185+ATOM 755 CD1 TYR A 96 3.457 20.450 20.275 1.00 21.95 C
1186+ATOM 756 CD2 TYR A 96 1.553 21.639 19.517 1.00 20.35 C
1187+ATOM 757 CE1 TYR A 96 3.709 21.397 21.252 1.00 23.67 C
1188+ATOM 758 CE2 TYR A 96 1.789 22.599 20.495 1.00 22.33 C
1189+ATOM 759 CZ TYR A 96 2.863 22.466 21.354 1.00 23.79 C
1190+ATOM 760 OH TYR A 96 3.109 23.377 22.359 1.00 25.95 O
1191+ATOM 761 N ARG A 97 1.916 16.544 17.201 1.00 14.98 N
1192+ATOM 762 CA ARG A 97 1.573 15.634 16.095 1.00 17.04 C
1193+ATOM 763 C ARG A 97 0.369 14.732 16.428 1.00 16.39 C
1194+ATOM 764 O ARG A 97 -0.581 14.589 15.624 1.00 16.03 O
1195+ATOM 765 CB ARG A 97 2.740 14.719 15.726 1.00 17.93 C
1196+ATOM 766 CG ARG A 97 2.352 13.996 14.426 1.00 20.29 C
1197+ATOM 767 CD ARG A 97 3.485 13.296 13.718 1.00 23.28 C
1198+ATOM 768 NE ARG A 97 2.957 12.194 12.895 1.00 25.59 N
1199+ATOM 769 CZ ARG A 97 2.910 12.183 11.553 1.00 27.62 C
1200+ATOM 770 NH1 ARG A 97 3.341 13.236 10.836 1.00 28.55 N
1201+ATOM 771 NH2 ARG A 97 2.413 11.107 10.928 1.00 27.52 N
1202+ATOM 772 N GLU A 98 0.344 14.141 17.633 1.00 16.88 N
1203+ATOM 773 CA GLU A 98 -0.799 13.298 17.959 1.00 17.29 C
1204+ATOM 774 C GLU A 98 -2.091 14.096 17.985 1.00 17.77 C
1205+ATOM 775 O GLU A 98 -3.145 13.642 17.516 1.00 16.25 O
1206+ATOM 776 CB GLU A 98 -0.573 12.630 19.294 1.00 20.97 C
1207+ATOM 777 CG GLU A 98 0.613 11.688 19.323 1.00 25.74 C
1208+ATOM 778 CD GLU A 98 0.647 10.567 18.287 1.00 30.48 C
1209+ATOM 779 OE1 GLU A 98 -0.291 9.757 18.222 1.00 33.26 O
1210+ATOM 780 OE2 GLU A 98 1.619 10.506 17.528 1.00 32.21 O
1211+ATOM 781 N GLN A 99 -2.071 15.323 18.494 1.00 18.19 N
1212+ATOM 782 CA GLN A 99 -3.293 16.103 18.504 1.00 19.81 C
1213+ATOM 783 C GLN A 99 -3.713 16.428 17.063 1.00 19.61 C
1214+ATOM 784 O GLN A 99 -4.920 16.359 16.727 1.00 19.20 O
1215+ATOM 785 CB GLN A 99 -3.090 17.391 19.321 1.00 20.79 C
1216+ATOM 786 CG GLN A 99 -4.479 17.982 19.534 1.00 21.96 C
1217+ATOM 787 CD GLN A 99 -4.557 19.107 20.550 1.00 22.72 C
1218+ATOM 788 OE1 GLN A 99 -3.675 19.265 21.395 1.00 25.63 O
1219+ATOM 789 NE2 GLN A 99 -5.635 19.884 20.535 1.00 21.63 N
1220+ATOM 790 N ILE A 100 -2.771 16.756 16.177 1.00 16.11 N
1221+ATOM 791 CA ILE A 100 -3.158 17.046 14.795 1.00 16.33 C
1222+ATOM 792 C ILE A 100 -3.745 15.791 14.161 1.00 15.17 C
1223+ATOM 793 O ILE A 100 -4.768 15.903 13.484 1.00 14.76 O
1224+ATOM 794 CB ILE A 100 -1.918 17.551 13.971 1.00 16.96 C
1225+ATOM 795 CG1 ILE A 100 -1.416 18.897 14.506 1.00 18.34 C
1226+ATOM 796 CG2 ILE A 100 -2.318 17.732 12.517 1.00 17.33 C
1227+ATOM 797 CD1 ILE A 100 0.060 19.235 14.156 1.00 18.02 C
1228+ATOM 798 N LYS A 101 -3.150 14.606 14.355 1.00 15.78 N
1229+ATOM 799 CA LYS A 101 -3.687 13.414 13.712 1.00 18.51 C
1230+ATOM 800 C LYS A 101 -5.107 13.089 14.152 1.00 20.33 C
1231+ATOM 801 O LYS A 101 -5.972 12.664 13.376 1.00 20.71 O
1232+ATOM 802 CB LYS A 101 -2.849 12.197 14.005 1.00 18.71 C
1233+ATOM 803 CG LYS A 101 -1.466 12.157 13.332 1.00 19.65 C
1234+ATOM 804 CD LYS A 101 -0.750 10.837 13.553 1.00 22.09 C
1235+ATOM 805 CE LYS A 101 -0.927 10.334 14.979 1.00 26.26 C
1236+ATOM 806 NZ LYS A 101 0.217 9.581 15.445 1.00 29.72 N
1237+ATOM 807 N ARG A 102 -5.329 13.341 15.442 1.00 22.33 N
1238+ATOM 808 CA ARG A 102 -6.596 13.074 16.106 1.00 23.28 C
1239+ATOM 809 C ARG A 102 -7.651 13.979 15.542 1.00 21.25 C
1240+ATOM 810 O ARG A 102 -8.654 13.449 15.076 1.00 23.14 O
1241+ATOM 811 CB ARG A 102 -6.489 13.323 17.601 1.00 26.87 C
1242+ATOM 812 CG ARG A 102 -7.551 12.550 18.376 1.00 31.26 C
1243+ATOM 813 CD ARG A 102 -7.775 13.127 19.772 1.00 33.40 C
1244+ATOM 814 NE ARG A 102 -8.553 14.362 19.709 1.00 36.06 N
1245+ATOM 815 CZ ARG A 102 -8.105 15.534 20.186 1.00 38.31 C
1246+ATOM 816 NH1 ARG A 102 -6.883 15.656 20.737 1.00 39.99 N
1247+ATOM 817 NH2 ARG A 102 -8.898 16.604 20.119 1.00 39.11 N
1248+ATOM 818 N VAL A 103 -7.466 15.290 15.472 1.00 18.57 N
1249+ATOM 819 CA VAL A 103 -8.533 16.136 14.956 1.00 20.78 C
1250+ATOM 820 C VAL A 103 -8.722 16.052 13.440 1.00 18.93 C
1251+ATOM 821 O VAL A 103 -9.830 16.302 12.950 1.00 18.38 O
1252+ATOM 822 CB VAL A 103 -8.321 17.630 15.360 1.00 22.99 C
1253+ATOM 823 CG1 VAL A 103 -8.326 17.744 16.885 1.00 25.08 C
1254+ATOM 824 CG2 VAL A 103 -7.008 18.145 14.849 1.00 25.37 C
1255+ATOM 825 N LYS A 104 -7.684 15.744 12.657 1.00 18.27 N
1256+ATOM 826 CA LYS A 104 -7.846 15.609 11.221 1.00 16.92 C
1257+ATOM 827 C LYS A 104 -8.153 14.213 10.722 1.00 18.72 C
1258+ATOM 828 O LYS A 104 -8.142 13.990 9.498 1.00 18.27 O
1259+ATOM 829 CB LYS A 104 -6.602 16.105 10.514 1.00 19.67 C
1260+ATOM 830 CG LYS A 104 -6.449 17.616 10.702 1.00 19.72 C
1261+ATOM 831 CD LYS A 104 -5.379 18.182 9.810 1.00 20.18 C
1262+ATOM 832 CE LYS A 104 -5.965 18.508 8.460 1.00 19.57 C
1263+ATOM 833 NZ LYS A 104 -6.737 19.734 8.478 1.00 19.33 N
1264+ATOM 834 N ASP A 105 -8.355 13.267 11.659 1.00 19.08 N
1265+ATOM 835 CA ASP A 105 -8.690 11.880 11.333 1.00 20.61 C
1266+ATOM 836 C ASP A 105 -7.691 11.316 10.311 1.00 20.56 C
1267+ATOM 837 O ASP A 105 -8.059 10.638 9.338 1.00 20.54 O
1268+ATOM 838 CB ASP A 105 -10.121 11.828 10.756 1.00 23.01 C
1269+ATOM 839 CG ASP A 105 -11.309 12.008 11.686 1.00 27.64 C
1270+ATOM 840 OD1 ASP A 105 -11.207 11.802 12.887 1.00 27.57 O
1271+ATOM 841 OD2 ASP A 105 -12.384 12.332 11.193 1.00 29.78 O
1272+ATOM 842 N SER A 106 -6.400 11.563 10.499 1.00 19.86 N
1273+ATOM 843 CA SER A 106 -5.462 11.204 9.472 1.00 21.37 C
1274+ATOM 844 C SER A 106 -4.085 10.889 9.975 1.00 20.91 C
1275+ATOM 845 O SER A 106 -3.564 11.596 10.822 1.00 23.05 O
1276+ATOM 846 CB SER A 106 -5.430 12.358 8.484 1.00 23.32 C
1277+ATOM 847 OG SER A 106 -4.447 12.229 7.486 1.00 27.36 O
1278+ATOM 848 N ASP A 107 -3.482 9.842 9.423 1.00 20.66 N
1279+ATOM 849 CA ASP A 107 -2.136 9.420 9.776 1.00 20.80 C
1280+ATOM 850 C ASP A 107 -1.103 10.142 8.920 1.00 19.88 C
1281+ATOM 851 O ASP A 107 0.092 10.134 9.242 1.00 19.82 O
1282+ATOM 852 CB ASP A 107 -1.982 7.899 9.596 1.00 20.80 C
1283+ATOM 853 CG ASP A 107 -2.943 7.030 10.396 1.00 22.52 C
1284+ATOM 854 OD1 ASP A 107 -3.532 7.508 11.349 1.00 23.47 O
1285+ATOM 855 OD2 ASP A 107 -3.127 5.863 10.057 1.00 24.66 O
1286+ATOM 856 N ASP A 108 -1.496 10.754 7.809 1.00 19.98 N
1287+ATOM 857 CA ASP A 108 -0.560 11.568 7.077 1.00 22.37 C
1288+ATOM 858 C ASP A 108 -1.176 12.905 6.799 1.00 22.38 C
1289+ATOM 859 O ASP A 108 -2.164 13.066 6.093 1.00 25.77 O
1290+ATOM 860 CB ASP A 108 -0.148 10.945 5.763 1.00 26.29 C
1291+ATOM 861 CG ASP A 108 -1.182 10.351 4.838 1.00 28.82 C
1292+ATOM 862 OD1 ASP A 108 -2.317 10.831 4.729 1.00 29.76 O
1293+ATOM 863 OD2 ASP A 108 -0.801 9.364 4.206 1.00 32.71 O
1294+ATOM 864 N VAL A 109 -0.670 13.897 7.492 1.00 20.74 N
1295+ATOM 865 CA VAL A 109 -1.115 15.270 7.308 1.00 18.03 C
1296+ATOM 866 C VAL A 109 0.128 15.993 6.797 1.00 15.43 C
1297+ATOM 867 O VAL A 109 1.215 15.680 7.302 1.00 12.79 O
1298+ATOM 868 CB VAL A 109 -1.590 15.856 8.665 1.00 18.62 C
1299+ATOM 869 CG1 VAL A 109 -1.849 17.339 8.516 1.00 17.98 C
1300+ATOM 870 CG2 VAL A 109 -2.895 15.177 9.120 1.00 18.59 C
1301+ATOM 871 N PRO A 110 0.082 16.903 5.806 1.00 12.62 N
1302+ATOM 872 CA PRO A 110 1.228 17.702 5.404 1.00 11.80 C
1303+ATOM 873 C PRO A 110 1.853 18.378 6.636 1.00 12.83 C
1304+ATOM 874 O PRO A 110 1.222 19.146 7.375 1.00 10.46 O
1305+ATOM 875 CB PRO A 110 0.676 18.684 4.398 1.00 12.54 C
1306+ATOM 876 CG PRO A 110 -0.465 17.919 3.769 1.00 13.23 C
1307+ATOM 877 CD PRO A 110 -1.080 17.212 4.979 1.00 13.57 C
1308+ATOM 878 N MET A 111 3.146 18.105 6.856 1.00 11.97 N
1309+ATOM 879 CA MET A 111 3.835 18.571 8.040 1.00 13.34 C
1310+ATOM 880 C MET A 111 5.325 18.657 7.747 1.00 13.65 C
1311+ATOM 881 O MET A 111 5.836 17.905 6.923 1.00 10.65 O
1312+ATOM 882 CB MET A 111 3.562 17.570 9.152 1.00 14.66 C
1313+ATOM 883 CG MET A 111 3.867 17.998 10.533 1.00 19.53 C
1314+ATOM 884 SD MET A 111 3.239 16.717 11.675 1.00 21.77 S
1315+ATOM 885 CE MET A 111 1.533 17.082 11.652 1.00 21.30 C
1316+ATOM 886 N VAL A 112 6.021 19.594 8.380 1.00 12.46 N
1317+ATOM 887 CA VAL A 112 7.484 19.658 8.325 1.00 12.03 C
1318+ATOM 888 C VAL A 112 7.930 19.803 9.760 1.00 11.17 C
1319+ATOM 889 O VAL A 112 7.343 20.581 10.536 1.00 10.56 O
1320+ATOM 890 CB VAL A 112 7.981 20.893 7.506 1.00 13.37 C
1321+ATOM 891 CG1 VAL A 112 9.514 21.097 7.529 1.00 14.03 C
1322+ATOM 892 CG2 VAL A 112 7.549 20.632 6.066 1.00 15.72 C
1323+ATOM 893 N LEU A 113 8.963 19.057 10.108 1.00 10.90 N
1324+ATOM 894 CA LEU A 113 9.584 19.156 11.428 1.00 10.71 C
1325+ATOM 895 C LEU A 113 10.695 20.197 11.357 1.00 11.07 C
1326+ATOM 896 O LEU A 113 11.636 20.046 10.557 1.00 10.49 O
1327+ATOM 897 CB LEU A 113 10.181 17.801 11.832 1.00 10.88 C
1328+ATOM 898 CG LEU A 113 10.731 17.779 13.248 1.00 10.74 C
1329+ATOM 899 CD1 LEU A 113 9.593 18.040 14.260 1.00 13.62 C
1330+ATOM 900 CD2 LEU A 113 11.378 16.448 13.518 1.00 10.50 C
1331+ATOM 901 N VAL A 114 10.619 21.268 12.141 1.00 10.01 N
1332+ATOM 902 CA VAL A 114 11.581 22.343 12.013 1.00 8.84 C
1333+ATOM 903 C VAL A 114 12.384 22.435 13.305 1.00 9.45 C
1334+ATOM 904 O VAL A 114 11.810 22.555 14.410 1.00 9.93 O
1335+ATOM 905 CB VAL A 114 10.803 23.662 11.701 1.00 9.89 C
1336+ATOM 906 CG1 VAL A 114 11.749 24.848 11.670 1.00 10.04 C
1337+ATOM 907 CG2 VAL A 114 10.172 23.576 10.313 1.00 10.28 C
1338+ATOM 908 N GLY A 115 13.701 22.412 13.165 1.00 6.88 N
1339+ATOM 909 CA GLY A 115 14.578 22.585 14.305 1.00 8.65 C
1340+ATOM 910 C GLY A 115 15.153 23.974 14.195 1.00 9.23 C
1341+ATOM 911 O GLY A 115 16.082 24.220 13.403 1.00 8.94 O
1342+ATOM 912 N ASN A 116 14.547 24.895 14.945 1.00 9.21 N
1343+ATOM 913 CA ASN A 116 14.953 26.294 14.912 1.00 9.85 C
1344+ATOM 914 C ASN A 116 16.090 26.669 15.876 1.00 9.06 C
1345+ATOM 915 O ASN A 116 16.449 25.905 16.787 1.00 10.28 O
1346+ATOM 916 CB ASN A 116 13.695 27.157 15.185 1.00 9.77 C
1347+ATOM 917 CG ASN A 116 13.878 28.649 14.867 1.00 11.23 C
1348+ATOM 918 OD1 ASN A 116 14.465 29.041 13.868 1.00 9.53 O
1349+ATOM 919 ND2 ASN A 116 13.412 29.529 15.744 1.00 9.58 N
1350+ATOM 920 N LYS A 117 16.600 27.892 15.672 1.00 9.44 N
1351+ATOM 921 CA LYS A 117 17.696 28.504 16.423 1.00 12.40 C
1352+ATOM 922 C LYS A 117 18.989 27.772 16.115 1.00 13.20 C
1353+ATOM 923 O LYS A 117 19.903 27.711 16.948 1.00 15.16 O
1354+ATOM 924 CB LYS A 117 17.439 28.472 17.975 1.00 10.62 C
1355+ATOM 925 CG LYS A 117 16.075 28.994 18.355 1.00 10.24 C
1356+ATOM 926 CD LYS A 117 16.054 29.501 19.763 1.00 10.38 C
1357+ATOM 927 CE LYS A 117 14.650 29.978 20.092 1.00 10.08 C
1358+ATOM 928 NZ LYS A 117 14.621 30.545 21.429 1.00 9.04 N
1359+ATOM 929 N CYS A 118 19.153 27.290 14.878 1.00 13.85 N
1360+ATOM 930 CA CYS A 118 20.377 26.565 14.564 1.00 16.37 C
1361+ATOM 931 C CYS A 118 21.635 27.444 14.591 1.00 14.67 C
1362+ATOM 932 O CYS A 118 22.744 26.944 14.452 1.00 13.91 O
1363+ATOM 933 CB CYS A 118 20.271 25.869 13.188 1.00 17.21 C
1364+ATOM 934 SG CYS A 118 20.116 26.926 11.729 1.00 19.59 S
1365+ATOM 935 N ASP A 119 21.487 28.749 14.803 1.00 15.69 N
1366+ATOM 936 CA ASP A 119 22.643 29.641 14.898 1.00 16.73 C
1367+ATOM 937 C ASP A 119 23.319 29.508 16.258 1.00 15.80 C
1368+ATOM 938 O ASP A 119 24.482 29.886 16.392 1.00 16.49 O
1369+ATOM 939 CB ASP A 119 22.235 31.127 14.687 1.00 15.33 C
1370+ATOM 940 CG ASP A 119 21.104 31.532 15.609 1.00 17.28 C
1371+ATOM 941 OD1 ASP A 119 19.971 31.107 15.358 1.00 14.61 O
1372+ATOM 942 OD2 ASP A 119 21.360 32.268 16.554 1.00 16.48 O
1373+ATOM 943 N LEU A 120 22.600 28.986 17.258 1.00 15.91 N
1374+ATOM 944 CA LEU A 120 23.071 28.933 18.632 1.00 17.42 C
1375+ATOM 945 C LEU A 120 24.037 27.785 18.808 1.00 19.00 C
1376+ATOM 946 O LEU A 120 23.845 26.713 18.231 1.00 18.91 O
1377+ATOM 947 CB LEU A 120 21.922 28.737 19.601 1.00 16.57 C
1378+ATOM 948 CG LEU A 120 20.906 29.877 19.848 1.00 19.72 C
1379+ATOM 949 CD1 LEU A 120 19.989 29.458 21.002 1.00 19.48 C
1380+ATOM 950 CD2 LEU A 120 21.590 31.177 20.243 1.00 18.86 C
1381+ATOM 951 N ALA A 121 25.100 27.973 19.583 1.00 19.44 N
1382+ATOM 952 CA ALA A 121 26.031 26.874 19.696 1.00 21.19 C
1383+ATOM 953 C ALA A 121 25.683 25.900 20.797 1.00 22.11 C
1384+ATOM 954 O ALA A 121 25.948 24.711 20.648 1.00 23.31 O
1385+ATOM 955 CB ALA A 121 27.386 27.446 19.906 1.00 20.04 C
1386+ATOM 956 N ALA A 122 25.044 26.354 21.878 1.00 23.22 N
1387+ATOM 957 CA ALA A 122 24.629 25.506 22.993 1.00 23.07 C
1388+ATOM 958 C ALA A 122 23.571 24.478 22.560 1.00 23.57 C
1389+ATOM 959 O ALA A 122 22.446 24.446 23.061 1.00 25.91 O
1390+ATOM 960 N ARG A 123 23.853 23.645 21.588 1.00 23.05 N
1391+ATOM 961 CA ARG A 123 22.920 22.649 21.106 1.00 21.52 C
1392+ATOM 962 C ARG A 123 22.652 21.527 22.086 1.00 21.15 C
1393+ATOM 963 O ARG A 123 23.611 20.909 22.557 1.00 21.47 O
1394+ATOM 964 CB ARG A 123 23.521 22.153 19.796 1.00 21.52 C
1395+ATOM 965 CG ARG A 123 22.901 20.978 19.163 1.00 21.85 C
1396+ATOM 966 CD ARG A 123 23.209 21.171 17.725 1.00 25.26 C
1397+ATOM 967 NE ARG A 123 22.123 20.499 17.097 1.00 26.56 N
1398+ATOM 968 CZ ARG A 123 21.596 20.834 15.933 1.00 24.42 C
1399+ATOM 969 NH1 ARG A 123 22.011 21.860 15.184 1.00 22.27 N
1400+ATOM 970 NH2 ARG A 123 20.594 20.068 15.595 1.00 23.89 N
1401+ATOM 971 N THR A 124 21.395 21.206 22.421 1.00 20.78 N
1402+ATOM 972 CA THR A 124 21.127 20.039 23.249 1.00 21.02 C
1403+ATOM 973 C THR A 124 20.377 18.948 22.464 1.00 22.27 C
1404+ATOM 974 O THR A 124 20.307 17.797 22.906 1.00 22.82 O
1405+ATOM 975 CB THR A 124 20.317 20.421 24.530 1.00 22.07 C
1406+ATOM 976 OG1 THR A 124 19.110 21.077 24.170 1.00 22.74 O
1407+ATOM 977 CG2 THR A 124 21.157 21.276 25.452 1.00 22.09 C
1408+ATOM 978 N VAL A 125 19.795 19.216 21.284 1.00 20.01 N
1409+ATOM 979 CA VAL A 125 19.117 18.186 20.530 1.00 19.29 C
1410+ATOM 980 C VAL A 125 20.026 17.849 19.353 1.00 19.34 C
1411+ATOM 981 O VAL A 125 20.288 18.728 18.535 1.00 17.99 O
1412+ATOM 982 CB VAL A 125 17.721 18.695 20.005 1.00 19.36 C
1413+ATOM 983 CG1 VAL A 125 17.054 17.575 19.198 1.00 18.82 C
1414+ATOM 984 CG2 VAL A 125 16.773 19.059 21.152 1.00 19.92 C
1415+ATOM 985 N GLU A 126 20.571 16.655 19.189 1.00 20.50 N
1416+ATOM 986 CA GLU A 126 21.355 16.341 17.991 1.00 25.55 C
1417+ATOM 987 C GLU A 126 20.490 16.241 16.719 1.00 23.99 C
1418+ATOM 988 O GLU A 126 19.377 15.681 16.734 1.00 24.61 O
1419+ATOM 989 CB GLU A 126 22.112 15.011 18.254 1.00 29.39 C
1420+ATOM 990 CG GLU A 126 22.300 13.991 17.134 1.00 33.89 C
1421+ATOM 991 CD GLU A 126 23.536 14.083 16.237 1.00 36.13 C
1422+ATOM 992 OE1 GLU A 126 23.565 14.915 15.331 1.00 36.81 O
1423+ATOM 993 OE2 GLU A 126 24.459 13.274 16.417 1.00 38.39 O
1424+ATOM 994 N SER A 127 21.010 16.710 15.587 1.00 22.99 N
1425+ATOM 995 CA SER A 127 20.310 16.597 14.292 1.00 23.13 C
1426+ATOM 996 C SER A 127 19.917 15.168 13.969 1.00 21.86 C
1427+ATOM 997 O SER A 127 18.798 14.886 13.549 1.00 22.11 O
1428+ATOM 998 CB SER A 127 21.183 17.098 13.162 1.00 21.85 C
1429+ATOM 999 OG SER A 127 21.490 18.467 13.421 1.00 25.75 O
1430+ATOM 1000 N ARG A 128 20.807 14.218 14.206 1.00 22.31 N
1431+ATOM 1001 CA ARG A 128 20.500 12.815 13.961 1.00 24.95 C
1432+ATOM 1002 C ARG A 128 19.245 12.396 14.731 1.00 22.58 C
1433+ATOM 1003 O ARG A 128 18.376 11.706 14.189 1.00 21.02 O
1434+ATOM 1004 CB ARG A 128 21.706 11.943 14.384 1.00 27.42 C
1435+ATOM 1005 CG ARG A 128 21.965 10.802 13.419 1.00 31.70 C
1436+ATOM 1006 CD ARG A 128 23.024 9.807 13.900 1.00 35.09 C
1437+ATOM 1007 NE ARG A 128 24.341 10.339 14.253 1.00 37.96 N
1438+ATOM 1008 CZ ARG A 128 25.307 10.634 13.380 1.00 38.50 C
1439+ATOM 1009 NH1 ARG A 128 25.113 10.608 12.066 1.00 40.86 N
1440+ATOM 1010 NH2 ARG A 128 26.479 11.049 13.837 1.00 38.51 N
1441+ATOM 1011 N GLN A 129 19.085 12.849 15.983 1.00 22.66 N
1442+ATOM 1012 CA GLN A 129 17.914 12.449 16.781 1.00 23.19 C
1443+ATOM 1013 C GLN A 129 16.660 12.969 16.073 1.00 21.06 C
1444+ATOM 1014 O GLN A 129 15.662 12.283 15.874 1.00 20.14 O
1445+ATOM 1015 CB GLN A 129 17.916 13.068 18.191 1.00 26.03 C
1446+ATOM 1016 CG GLN A 129 19.032 12.830 19.220 1.00 28.34 C
1447+ATOM 1017 CD GLN A 129 18.891 13.814 20.388 1.00 29.72 C
1448+ATOM 1018 OE1 GLN A 129 19.831 14.513 20.776 1.00 29.87 O
1449+ATOM 1019 NE2 GLN A 129 17.699 13.959 20.971 1.00 31.18 N
1450+ATOM 1020 N ALA A 130 16.688 14.224 15.665 1.00 17.50 N
1451+ATOM 1021 CA ALA A 130 15.549 14.848 14.990 1.00 16.53 C
1452+ATOM 1022 C ALA A 130 15.252 14.239 13.644 1.00 15.79 C
1453+ATOM 1023 O ALA A 130 14.085 14.078 13.273 1.00 13.61 O
1454+ATOM 1024 CB ALA A 130 15.794 16.316 14.755 1.00 15.43 C
1455+ATOM 1025 N GLN A 131 16.302 13.931 12.869 1.00 17.84 N
1456+ATOM 1026 CA GLN A 131 16.108 13.295 11.575 1.00 19.36 C
1457+ATOM 1027 C GLN A 131 15.482 11.912 11.766 1.00 19.14 C
1458+ATOM 1028 O GLN A 131 14.555 11.555 11.016 1.00 16.84 O
1459+ATOM 1029 CB GLN A 131 17.437 13.168 10.836 1.00 22.07 C
1460+ATOM 1030 CG GLN A 131 17.173 12.566 9.454 1.00 25.38 C
1461+ATOM 1031 CD GLN A 131 16.221 13.430 8.618 1.00 28.24 C
1462+ATOM 1032 OE1 GLN A 131 16.486 14.626 8.436 1.00 31.52 O
1463+ATOM 1033 NE2 GLN A 131 15.103 12.912 8.107 1.00 28.17 N
1464+ATOM 1034 N ASP A 132 15.936 11.130 12.755 1.00 19.56 N
1465+ATOM 1035 CA ASP A 132 15.292 9.862 13.035 1.00 22.51 C
1466+ATOM 1036 C ASP A 132 13.809 10.042 13.345 1.00 22.18 C
1467+ATOM 1037 O ASP A 132 12.944 9.331 12.803 1.00 22.94 O
1468+ATOM 1038 CB ASP A 132 15.982 9.208 14.202 1.00 25.79 C
1469+ATOM 1039 CG ASP A 132 17.344 8.587 13.866 1.00 29.50 C
1470+ATOM 1040 OD1 ASP A 132 17.676 8.370 12.690 1.00 31.18 O
1471+ATOM 1041 OD2 ASP A 132 18.086 8.275 14.805 1.00 31.95 O
1472+ATOM 1042 N LEU A 133 13.467 11.008 14.217 1.00 21.78 N
1473+ATOM 1043 CA LEU A 133 12.078 11.280 14.533 1.00 20.14 C
1474+ATOM 1044 C LEU A 133 11.321 11.628 13.266 1.00 18.75 C
1475+ATOM 1045 O LEU A 133 10.272 11.030 12.987 1.00 19.65 O
1476+ATOM 1046 CB LEU A 133 11.938 12.451 15.504 1.00 20.86 C
1477+ATOM 1047 CG LEU A 133 10.521 12.691 16.046 1.00 22.65 C
1478+ATOM 1048 CD1 LEU A 133 10.165 11.586 17.050 1.00 21.97 C
1479+ATOM 1049 CD2 LEU A 133 10.448 14.084 16.691 1.00 21.90 C
1480+ATOM 1050 N ALA A 134 11.820 12.562 12.478 1.00 14.93 N
1481+ATOM 1051 CA ALA A 134 11.146 12.955 11.257 1.00 16.76 C
1482+ATOM 1052 C ALA A 134 10.891 11.760 10.326 1.00 16.85 C
1483+ATOM 1053 O ALA A 134 9.773 11.583 9.816 1.00 13.82 O
1484+ATOM 1054 CB ALA A 134 12.006 14.004 10.527 1.00 16.58 C
1485+ATOM 1055 N ARG A 135 11.910 10.896 10.183 1.00 18.18 N
1486+ATOM 1056 CA ARG A 135 11.827 9.720 9.341 1.00 20.93 C
1487+ATOM 1057 C ARG A 135 10.732 8.790 9.858 1.00 22.77 C
1488+ATOM 1058 O ARG A 135 9.925 8.282 9.051 1.00 23.96 O
1489+ATOM 1059 CB ARG A 135 13.215 9.019 9.297 1.00 22.82 C
1490+ATOM 1060 CG ARG A 135 13.304 7.821 8.338 1.00 27.46 C
1491+ATOM 1061 CD ARG A 135 12.633 8.142 6.985 1.00 32.50 C
1492+ATOM 1062 NE ARG A 135 12.064 6.972 6.319 1.00 36.16 N
1493+ATOM 1063 CZ ARG A 135 12.696 6.323 5.336 1.00 36.17 C
1494+ATOM 1064 NH1 ARG A 135 13.881 6.734 4.868 1.00 37.01 N
1495+ATOM 1065 NH2 ARG A 135 12.121 5.254 4.795 1.00 36.55 N
1496+ATOM 1066 N SER A 136 10.610 8.562 11.176 1.00 23.10 N
1497+ATOM 1067 CA SER A 136 9.530 7.736 11.679 1.00 22.46 C
1498+ATOM 1068 C SER A 136 8.170 8.363 11.376 1.00 22.52 C
1499+ATOM 1069 O SER A 136 7.169 7.649 11.266 1.00 23.04 O
1500+ATOM 1070 CB SER A 136 9.686 7.529 13.189 1.00 22.95 C
1501+ATOM 1071 OG SER A 136 9.312 8.632 14.001 1.00 24.22 O
1502+ATOM 1072 N TYR A 137 8.072 9.694 11.240 1.00 22.19 N
1503+ATOM 1073 CA TYR A 137 6.799 10.326 10.949 1.00 21.10 C
1504+ATOM 1074 C TYR A 137 6.558 10.381 9.457 1.00 21.55 C
1505+ATOM 1075 O TYR A 137 5.430 10.686 9.022 1.00 22.61 O
1506+ATOM 1076 CB TYR A 137 6.716 11.763 11.446 1.00 20.05 C
1507+ATOM 1077 CG TYR A 137 6.733 11.981 12.947 1.00 21.79 C
1508+ATOM 1078 CD1 TYR A 137 6.487 10.945 13.835 1.00 22.83 C
1509+ATOM 1079 CD2 TYR A 137 6.962 13.274 13.426 1.00 23.07 C
1510+ATOM 1080 CE1 TYR A 137 6.470 11.218 15.200 1.00 24.28 C
1511+ATOM 1081 CE2 TYR A 137 6.939 13.548 14.787 1.00 22.74 C
1512+ATOM 1082 CZ TYR A 137 6.689 12.501 15.667 1.00 23.53 C
1513+ATOM 1083 OH TYR A 137 6.638 12.736 17.029 1.00 24.70 O
1514+ATOM 1084 N GLY A 138 7.624 10.105 8.708 1.00 18.97 N
1515+ATOM 1085 CA GLY A 138 7.601 10.175 7.268 1.00 16.10 C
1516+ATOM 1086 C GLY A 138 7.501 11.608 6.811 1.00 15.71 C
1517+ATOM 1087 O GLY A 138 6.831 11.846 5.811 1.00 16.52 O
1518+ATOM 1088 N ILE A 139 8.093 12.581 7.494 1.00 13.39 N
1519+ATOM 1089 CA ILE A 139 7.993 13.967 7.056 1.00 14.17 C
1520+ATOM 1090 C ILE A 139 9.376 14.575 6.958 1.00 14.29 C
1521+ATOM 1091 O ILE A 139 10.289 14.032 7.587 1.00 14.40 O
1522+ATOM 1092 CB ILE A 139 7.106 14.816 8.042 1.00 14.41 C
1523+ATOM 1093 CG1 ILE A 139 7.612 14.786 9.471 1.00 15.91 C
1524+ATOM 1094 CG2 ILE A 139 5.703 14.248 8.016 1.00 14.46 C
1525+ATOM 1095 CD1 ILE A 139 6.814 15.702 10.425 1.00 14.37 C
1526+ATOM 1096 N PRO A 140 9.610 15.660 6.202 1.00 13.09 N
1527+ATOM 1097 CA PRO A 140 10.900 16.341 6.180 1.00 14.64 C
1528+ATOM 1098 C PRO A 140 11.305 16.951 7.524 1.00 14.47 C
1529+ATOM 1099 O PRO A 140 10.474 17.405 8.313 1.00 15.15 O
1530+ATOM 1100 CB PRO A 140 10.740 17.387 5.098 1.00 14.39 C
1531+ATOM 1101 CG PRO A 140 9.439 17.080 4.381 1.00 14.37 C
1532+ATOM 1102 CD PRO A 140 8.613 16.432 5.452 1.00 13.89 C
1533+ATOM 1103 N TYR A 141 12.614 17.023 7.736 1.00 14.28 N
1534+ATOM 1104 CA TYR A 141 13.214 17.739 8.855 1.00 13.13 C
1535+ATOM 1105 C TYR A 141 14.042 18.861 8.215 1.00 12.61 C
1536+ATOM 1106 O TYR A 141 14.861 18.591 7.309 1.00 12.35 O
1537+ATOM 1107 CB TYR A 141 14.165 16.858 9.662 1.00 13.18 C
1538+ATOM 1108 CG TYR A 141 14.977 17.623 10.711 1.00 12.35 C
1539+ATOM 1109 CD1 TYR A 141 14.283 18.358 11.662 1.00 11.14 C
1540+ATOM 1110 CD2 TYR A 141 16.360 17.534 10.756 1.00 11.72 C
1541+ATOM 1111 CE1 TYR A 141 14.944 19.011 12.667 1.00 11.69 C
1542+ATOM 1112 CE2 TYR A 141 17.038 18.181 11.773 1.00 12.66 C
1543+ATOM 1113 CZ TYR A 141 16.309 18.905 12.721 1.00 13.75 C
1544+ATOM 1114 OH TYR A 141 16.932 19.481 13.807 1.00 13.76 O
1545+ATOM 1115 N ILE A 142 13.823 20.103 8.666 1.00 10.75 N
1546+ATOM 1116 CA ILE A 142 14.587 21.239 8.199 1.00 11.89 C
1547+ATOM 1117 C ILE A 142 15.069 22.036 9.398 1.00 10.85 C
1548+ATOM 1118 O ILE A 142 14.299 22.304 10.326 1.00 10.99 O
1549+ATOM 1119 CB ILE A 142 13.718 22.145 7.269 1.00 11.11 C
1550+ATOM 1120 CG1 ILE A 142 13.447 21.352 5.969 1.00 13.06 C
1551+ATOM 1121 CG2 ILE A 142 14.403 23.451 6.946 1.00 11.13 C
1552+ATOM 1122 CD1 ILE A 142 12.569 21.977 4.842 1.00 12.03 C
1553+ATOM 1123 N GLU A 143 16.361 22.392 9.400 1.00 10.86 N
1554+ATOM 1124 CA GLU A 143 16.860 23.286 10.433 1.00 9.12 C
1555+ATOM 1125 C GLU A 143 16.800 24.728 9.959 1.00 10.53 C
1556+ATOM 1126 O GLU A 143 17.131 25.050 8.807 1.00 10.81 O
1557+ATOM 1127 CB GLU A 143 18.301 22.951 10.810 1.00 10.86 C
1558+ATOM 1128 CG GLU A 143 18.270 21.622 11.552 1.00 11.12 C
1559+ATOM 1129 CD GLU A 143 19.430 21.360 12.499 1.00 12.33 C
1560+ATOM 1130 OE1 GLU A 143 20.397 22.120 12.552 1.00 13.97 O
1561+ATOM 1131 OE2 GLU A 143 19.366 20.362 13.195 1.00 13.45 O
1562+ATOM 1132 N THR A 144 16.403 25.634 10.859 1.00 11.28 N
1563+ATOM 1133 CA THR A 144 16.259 27.028 10.507 1.00 10.22 C
1564+ATOM 1134 C THR A 144 16.907 27.926 11.539 1.00 11.08 C
1565+ATOM 1135 O THR A 144 17.175 27.550 12.689 1.00 10.61 O
1566+ATOM 1136 CB THR A 144 14.772 27.423 10.418 1.00 12.14 C
1567+ATOM 1137 OG1 THR A 144 14.237 27.169 11.728 1.00 9.94 O
1568+ATOM 1138 CG2 THR A 144 13.990 26.678 9.302 1.00 10.91 C
1569+ATOM 1139 N SER A 145 17.141 29.152 11.094 1.00 11.51 N
1570+ATOM 1140 CA SER A 145 17.480 30.218 12.004 1.00 10.87 C
1571+ATOM 1141 C SER A 145 16.684 31.444 11.590 1.00 11.28 C
1572+ATOM 1142 O SER A 145 16.873 32.000 10.499 1.00 11.70 O
1573+ATOM 1143 CB SER A 145 18.968 30.551 11.961 1.00 10.84 C
1574+ATOM 1144 OG SER A 145 19.138 31.688 12.788 1.00 13.10 O
1575+ATOM 1145 N ALA A 146 15.759 31.891 12.453 1.00 11.09 N
1576+ATOM 1146 CA ALA A 146 15.077 33.147 12.220 1.00 12.13 C
1577+ATOM 1147 C ALA A 146 16.057 34.296 12.389 1.00 14.03 C
1578+ATOM 1148 O ALA A 146 15.840 35.376 11.847 1.00 16.30 O
1579+ATOM 1149 CB ALA A 146 13.927 33.313 13.218 1.00 13.81 C
1580+ATOM 1150 N LYS A 147 17.162 34.116 13.105 1.00 14.77 N
1581+ATOM 1151 CA LYS A 147 18.114 35.188 13.274 1.00 18.12 C
1582+ATOM 1152 C LYS A 147 18.849 35.486 11.967 1.00 19.70 C
1583+ATOM 1153 O LYS A 147 18.958 36.654 11.571 1.00 21.70 O
1584+ATOM 1154 CB LYS A 147 19.111 34.809 14.369 1.00 18.91 C
1585+ATOM 1155 CG LYS A 147 20.103 35.953 14.657 1.00 21.42 C
1586+ATOM 1156 CD LYS A 147 20.598 35.828 16.086 1.00 23.82 C
1587+ATOM 1157 CE LYS A 147 21.670 36.884 16.467 1.00 24.92 C
1588+ATOM 1158 NZ LYS A 147 23.005 36.457 16.078 1.00 27.84 N
1589+ATOM 1159 N THR A 148 19.363 34.438 11.283 1.00 20.11 N
1590+ATOM 1160 CA THR A 148 20.181 34.643 10.071 1.00 18.74 C
1591+ATOM 1161 C THR A 148 19.384 34.426 8.791 1.00 21.25 C
1592+ATOM 1162 O THR A 148 19.964 34.557 7.706 1.00 22.23 O
1593+ATOM 1163 CB THR A 148 21.387 33.685 10.053 1.00 16.15 C
1594+ATOM 1164 OG1 THR A 148 20.858 32.383 9.933 1.00 14.43 O
1595+ATOM 1165 CG2 THR A 148 22.179 33.656 11.307 1.00 15.52 C
1596+ATOM 1166 N ARG A 149 18.096 34.008 8.923 1.00 19.76 N
1597+ATOM 1167 CA ARG A 149 17.171 33.679 7.848 1.00 19.98 C
1598+ATOM 1168 C ARG A 149 17.481 32.325 7.229 1.00 19.37 C
1599+ATOM 1169 O ARG A 149 16.777 31.836 6.342 1.00 22.18 O
1600+ATOM 1170 CB ARG A 149 17.190 34.762 6.754 1.00 21.05 C
1601+ATOM 1171 CG ARG A 149 15.828 34.921 6.134 1.00 23.99 C
1602+ATOM 1172 CD ARG A 149 15.869 35.848 4.915 1.00 26.03 C
1603+ATOM 1173 NE ARG A 149 14.709 35.579 4.070 1.00 26.94 N
1604+ATOM 1174 CZ ARG A 149 13.514 36.086 4.348 1.00 26.73 C
1605+ATOM 1175 NH1 ARG A 149 13.386 36.937 5.345 1.00 26.90 N
1606+ATOM 1176 NH2 ARG A 149 12.460 35.761 3.610 1.00 27.38 N
1607+ATOM 1177 N GLN A 150 18.526 31.638 7.673 1.00 18.04 N
1608+ATOM 1178 CA GLN A 150 18.882 30.321 7.198 1.00 17.64 C
1609+ATOM 1179 C GLN A 150 17.696 29.357 7.265 1.00 15.65 C
1610+ATOM 1180 O GLN A 150 17.080 29.169 8.318 1.00 15.10 O
1611+ATOM 1181 CB GLN A 150 20.020 29.823 8.061 1.00 19.99 C
1612+ATOM 1182 CG GLN A 150 20.387 28.374 7.908 1.00 26.08 C
1613+ATOM 1183 CD GLN A 150 21.160 27.954 6.659 1.00 30.18 C
1614+ATOM 1184 OE1 GLN A 150 22.315 28.353 6.468 1.00 33.46 O
1615+ATOM 1185 NE2 GLN A 150 20.577 27.090 5.811 1.00 32.38 N
1616+ATOM 1186 N GLY A 151 17.375 28.775 6.132 1.00 13.98 N
1617+ATOM 1187 CA GLY A 151 16.337 27.766 6.047 1.00 13.79 C
1618+ATOM 1188 C GLY A 151 14.910 28.270 6.165 1.00 13.36 C
1619+ATOM 1189 O GLY A 151 14.032 27.423 5.992 1.00 14.19 O
1620+ATOM 1190 N VAL A 152 14.566 29.548 6.384 1.00 13.64 N
1621+ATOM 1191 CA VAL A 152 13.172 29.929 6.614 1.00 13.54 C
1622+ATOM 1192 C VAL A 152 12.301 29.714 5.378 1.00 15.43 C
1623+ATOM 1193 O VAL A 152 11.293 28.985 5.460 1.00 15.03 O
1624+ATOM 1194 CB VAL A 152 13.115 31.408 7.104 1.00 15.32 C
1625+ATOM 1195 CG1 VAL A 152 11.668 31.864 7.316 1.00 15.00 C
1626+ATOM 1196 CG2 VAL A 152 13.872 31.539 8.432 1.00 13.90 C
1627+ATOM 1197 N GLU A 153 12.650 30.283 4.221 1.00 15.74 N
1628+ATOM 1198 CA GLU A 153 11.936 29.982 2.957 1.00 17.32 C
1629+ATOM 1199 C GLU A 153 11.793 28.508 2.640 1.00 14.65 C
1630+ATOM 1200 O GLU A 153 10.757 27.999 2.203 1.00 15.65 O
1631+ATOM 1201 CB GLU A 153 12.638 30.581 1.755 1.00 19.25 C
1632+ATOM 1202 CG GLU A 153 12.361 32.070 1.832 1.00 23.81 C
1633+ATOM 1203 CD GLU A 153 13.173 32.957 0.916 1.00 26.91 C
1634+ATOM 1204 OE1 GLU A 153 14.235 32.577 0.410 1.00 28.89 O
1635+ATOM 1205 OE2 GLU A 153 12.721 34.079 0.755 1.00 29.50 O
1636+ATOM 1206 N ASP A 154 12.886 27.800 2.849 1.00 14.30 N
1637+ATOM 1207 CA ASP A 154 12.930 26.381 2.630 1.00 14.15 C
1638+ATOM 1208 C ASP A 154 11.868 25.678 3.452 1.00 12.61 C
1639+ATOM 1209 O ASP A 154 11.104 24.820 2.961 1.00 13.50 O
1640+ATOM 1210 CB ASP A 154 14.274 25.926 3.026 1.00 17.89 C
1641+ATOM 1211 CG ASP A 154 14.749 24.652 2.389 1.00 21.19 C
1642+ATOM 1212 OD1 ASP A 154 13.953 23.919 1.791 1.00 23.41 O
1643+ATOM 1213 OD2 ASP A 154 15.954 24.400 2.523 1.00 23.81 O
1644+ATOM 1214 N ALA A 155 11.774 26.036 4.736 1.00 12.26 N
1645+ATOM 1215 CA ALA A 155 10.819 25.364 5.620 1.00 11.97 C
1646+ATOM 1216 C ALA A 155 9.399 25.604 5.139 1.00 13.61 C
1647+ATOM 1217 O ALA A 155 8.601 24.661 5.010 1.00 13.92 O
1648+ATOM 1218 CB ALA A 155 10.909 25.879 7.050 1.00 11.45 C
1649+ATOM 1219 N PHE A 156 9.081 26.853 4.800 1.00 13.02 N
1650+ATOM 1220 CA PHE A 156 7.723 27.181 4.388 1.00 11.26 C
1651+ATOM 1221 C PHE A 156 7.396 26.635 3.005 1.00 11.74 C
1652+ATOM 1222 O PHE A 156 6.328 26.021 2.802 1.00 13.69 O
1653+ATOM 1223 CB PHE A 156 7.565 28.705 4.438 1.00 12.01 C
1654+ATOM 1224 CG PHE A 156 7.290 29.244 5.862 1.00 11.35 C
1655+ATOM 1225 CD1 PHE A 156 5.989 29.277 6.336 1.00 11.77 C
1656+ATOM 1226 CD2 PHE A 156 8.324 29.706 6.667 1.00 11.96 C
1657+ATOM 1227 CE1 PHE A 156 5.709 29.765 7.610 1.00 12.07 C
1658+ATOM 1228 CE2 PHE A 156 8.040 30.191 7.942 1.00 11.76 C
1659+ATOM 1229 CZ PHE A 156 6.735 30.226 8.427 1.00 10.31 C
1660+ATOM 1230 N TYR A 157 8.276 26.812 2.022 1.00 10.60 N
1661+ATOM 1231 CA TYR A 157 8.007 26.321 0.697 1.00 10.61 C
1662+ATOM 1232 C TYR A 157 8.042 24.817 0.670 1.00 9.76 C
1663+ATOM 1233 O TYR A 157 7.268 24.216 -0.094 1.00 11.11 O
1664+ATOM 1234 CB TYR A 157 9.020 26.849 -0.298 1.00 13.96 C
1665+ATOM 1235 CG TYR A 157 8.967 28.358 -0.540 1.00 16.98 C
1666+ATOM 1236 CD1 TYR A 157 8.081 29.176 0.145 1.00 18.49 C
1667+ATOM 1237 CD2 TYR A 157 9.854 28.897 -1.464 1.00 18.70 C
1668+ATOM 1238 CE1 TYR A 157 8.073 30.536 -0.076 1.00 20.29 C
1669+ATOM 1239 CE2 TYR A 157 9.841 30.255 -1.689 1.00 19.86 C
1670+ATOM 1240 CZ TYR A 157 8.963 31.052 -0.991 1.00 20.91 C
1671+ATOM 1241 OH TYR A 157 9.002 32.420 -1.157 1.00 24.06 O
1672+ATOM 1242 N THR A 158 8.877 24.118 1.441 1.00 10.67 N
1673+ATOM 1243 CA THR A 158 8.752 22.660 1.449 1.00 11.79 C
1674+ATOM 1244 C THR A 158 7.353 22.288 1.971 1.00 13.51 C
1675+ATOM 1245 O THR A 158 6.734 21.355 1.408 1.00 12.43 O
1676+ATOM 1246 CB THR A 158 9.824 21.970 2.360 1.00 13.25 C
1677+ATOM 1247 OG1 THR A 158 11.114 22.351 1.906 1.00 12.27 O
1678+ATOM 1248 CG2 THR A 158 9.647 20.475 2.354 1.00 12.67 C
1679+ATOM 1249 N LEU A 159 6.815 23.007 2.994 1.00 10.14 N
1680+ATOM 1250 CA LEU A 159 5.506 22.633 3.471 1.00 10.46 C
1681+ATOM 1251 C LEU A 159 4.497 22.857 2.340 1.00 8.98 C
1682+ATOM 1252 O LEU A 159 3.618 22.018 2.127 1.00 9.88 O
1683+ATOM 1253 CB LEU A 159 5.108 23.473 4.726 1.00 8.35 C
1684+ATOM 1254 CG LEU A 159 3.739 23.127 5.365 1.00 9.27 C
1685+ATOM 1255 CD1 LEU A 159 3.600 21.638 5.705 1.00 8.53 C
1686+ATOM 1256 CD2 LEU A 159 3.579 24.048 6.563 1.00 10.17 C
1687+ATOM 1257 N VAL A 160 4.540 23.977 1.640 1.00 10.35 N
1688+ATOM 1258 CA VAL A 160 3.622 24.164 0.512 1.00 11.63 C
1689+ATOM 1259 C VAL A 160 3.742 22.996 -0.483 1.00 10.81 C
1690+ATOM 1260 O VAL A 160 2.710 22.459 -0.925 1.00 11.37 O
1691+ATOM 1261 CB VAL A 160 3.930 25.517 -0.168 1.00 13.14 C
1692+ATOM 1262 CG1 VAL A 160 3.224 25.700 -1.505 1.00 11.70 C
1693+ATOM 1263 CG2 VAL A 160 3.426 26.587 0.766 1.00 11.85 C
1694+ATOM 1264 N ARG A 161 4.953 22.555 -0.860 1.00 8.93 N
1695+ATOM 1265 CA ARG A 161 5.079 21.428 -1.780 1.00 10.93 C
1696+ATOM 1266 C ARG A 161 4.502 20.133 -1.190 1.00 13.19 C
1697+ATOM 1267 O ARG A 161 3.923 19.319 -1.931 1.00 12.90 O
1698+ATOM 1268 CB ARG A 161 6.558 21.295 -2.155 1.00 12.95 C
1699+ATOM 1269 CG ARG A 161 6.937 22.553 -2.975 1.00 15.81 C
1700+ATOM 1270 CD ARG A 161 8.242 22.583 -3.802 1.00 19.59 C
1701+ATOM 1271 NE ARG A 161 9.355 22.920 -2.967 1.00 22.11 N
1702+ATOM 1272 CZ ARG A 161 10.105 24.011 -3.088 1.00 18.34 C
1703+ATOM 1273 NH1 ARG A 161 9.993 24.957 -3.994 1.00 18.07 N
1704+ATOM 1274 NH2 ARG A 161 11.025 24.124 -2.186 1.00 21.62 N
1705+ATOM 1275 N GLU A 162 4.565 19.920 0.135 1.00 12.17 N
1706+ATOM 1276 CA GLU A 162 3.951 18.742 0.732 1.00 14.55 C
1707+ATOM 1277 C GLU A 162 2.434 18.803 0.558 1.00 14.67 C
1708+ATOM 1278 O GLU A 162 1.755 17.786 0.319 1.00 15.92 O
1709+ATOM 1279 CB GLU A 162 4.245 18.627 2.245 1.00 16.41 C
1710+ATOM 1280 CG GLU A 162 5.664 18.226 2.647 1.00 18.42 C
1711+ATOM 1281 CD GLU A 162 6.059 16.819 2.231 1.00 21.63 C
1712+ATOM 1282 OE1 GLU A 162 5.466 15.834 2.661 1.00 23.71 O
1713+ATOM 1283 OE2 GLU A 162 6.996 16.688 1.468 1.00 25.38 O
1714+ATOM 1284 N ILE A 163 1.845 19.996 0.686 1.00 13.33 N
1715+ATOM 1285 CA ILE A 163 0.404 20.135 0.490 1.00 15.14 C
1716+ATOM 1286 C ILE A 163 0.079 19.812 -0.974 1.00 15.56 C
1717+ATOM 1287 O ILE A 163 -0.825 19.038 -1.249 1.00 15.03 O
1718+ATOM 1288 CB ILE A 163 -0.045 21.564 0.849 1.00 13.71 C
1719+ATOM 1289 CG1 ILE A 163 0.209 21.783 2.338 1.00 13.83 C
1720+ATOM 1290 CG2 ILE A 163 -1.554 21.763 0.501 1.00 13.93 C
1721+ATOM 1291 CD1 ILE A 163 -0.029 23.238 2.824 1.00 11.63 C
1722+ATOM 1292 N ARG A 164 0.816 20.366 -1.923 1.00 16.57 N
1723+ATOM 1293 CA ARG A 164 0.711 20.050 -3.346 1.00 19.20 C
1724+ATOM 1294 C ARG A 164 0.694 18.538 -3.693 1.00 22.12 C
1725+ATOM 1295 O ARG A 164 0.058 18.078 -4.650 1.00 20.98 O
1726+ATOM 1296 CB ARG A 164 1.898 20.800 -4.013 1.00 20.64 C
1727+ATOM 1297 CG ARG A 164 1.364 22.104 -4.572 1.00 22.08 C
1728+ATOM 1298 CD ARG A 164 2.032 23.462 -4.432 1.00 24.89 C
1729+ATOM 1299 NE ARG A 164 3.294 23.573 -5.082 1.00 24.31 N
1730+ATOM 1300 CZ ARG A 164 3.884 24.732 -5.393 1.00 23.52 C
1731+ATOM 1301 NH1 ARG A 164 3.330 25.966 -5.413 1.00 21.74 N
1732+ATOM 1302 NH2 ARG A 164 5.128 24.591 -5.788 1.00 20.92 N
1733+ATOM 1303 N GLN A 165 1.410 17.729 -2.919 1.00 23.20 N
1734+ATOM 1304 CA GLN A 165 1.520 16.308 -3.145 1.00 26.92 C
1735+ATOM 1305 C GLN A 165 0.565 15.500 -2.255 1.00 28.23 C
1736+ATOM 1306 O GLN A 165 0.707 14.261 -2.223 1.00 29.29 O
1737+ATOM 1307 CB GLN A 165 2.969 15.868 -2.873 1.00 27.93 C
1738+ATOM 1308 CG GLN A 165 3.833 15.567 -4.109 1.00 33.05 C
1739+ATOM 1309 CD GLN A 165 5.259 15.069 -3.808 1.00 34.46 C
1740+ATOM 1310 OE1 GLN A 165 6.253 15.650 -4.243 1.00 36.03 O
1741+ATOM 1311 NE2 GLN A 165 5.479 13.978 -3.085 1.00 36.50 N
1742+ATOM 1312 N HIS A 166 -0.404 16.089 -1.540 1.00 26.92 N
1743+ATOM 1313 CA HIS A 166 -1.217 15.280 -0.638 1.00 28.84 C
1744+ATOM 1314 C HIS A 166 -2.307 14.473 -1.359 1.00 29.53 C
1745+ATOM 1315 O HIS A 166 -2.769 14.912 -2.408 1.00 29.64 O
1746+ATOM 1316 CB HIS A 166 -1.871 16.164 0.440 1.00 29.10 C
1747+ATOM 1317 CG HIS A 166 -2.477 15.338 1.595 1.00 31.79 C
1748+ATOM 1318 ND1 HIS A 166 -3.706 15.370 2.111 1.00 31.80 N
1749+ATOM 1319 CD2 HIS A 166 -1.802 14.358 2.300 1.00 31.46 C
1750+ATOM 1320 CE1 HIS A 166 -3.784 14.459 3.069 1.00 32.54 C
1751+ATOM 1321 NE2 HIS A 166 -2.631 13.853 3.181 1.00 32.57 N
1752+ATOM 1322 OXT HIS A 166 -2.673 13.394 -0.878 1.00 29.45 O
1753+TER 1323 HIS A 166
1754+HETATM 1324 MG MG A 168 4.776 33.728 19.216 1.00 14.63 MG
1755+HETATM 1325 PG GCP A 167 5.150 32.173 22.030 1.00 11.69 P
1756+HETATM 1326 O1G GCP A 167 4.768 32.597 23.390 1.00 13.29 O
1757+HETATM 1327 O2G GCP A 167 4.164 32.683 21.069 1.00 12.61 O
1758+HETATM 1328 O3G GCP A 167 4.834 30.641 22.025 1.00 13.18 O
1759+HETATM 1329 C3B GCP A 167 6.782 32.406 21.624 1.00 10.08 C
1760+HETATM 1330 PB GCP A 167 7.419 31.970 20.137 1.00 12.01 P
1761+HETATM 1331 O1B GCP A 167 7.719 30.534 19.973 1.00 9.31 O
1762+HETATM 1332 O2B GCP A 167 6.733 32.558 18.971 1.00 9.31 O
1763+HETATM 1333 O3A GCP A 167 8.899 32.595 20.042 1.00 12.32 O
1764+HETATM 1334 PA GCP A 167 9.348 34.104 19.590 1.00 11.60 P
1765+HETATM 1335 O1A GCP A 167 9.246 34.175 18.109 1.00 12.21 O
1766+HETATM 1336 O2A GCP A 167 8.649 35.121 20.405 1.00 11.38 O
1767+HETATM 1337 O5' GCP A 167 10.897 33.983 20.027 1.00 10.91 O
1768+HETATM 1338 C5' GCP A 167 11.288 33.754 21.384 1.00 11.16 C
1769+HETATM 1339 C4' GCP A 167 12.705 34.195 21.605 1.00 11.26 C
1770+HETATM 1340 O4' GCP A 167 13.563 33.371 20.829 1.00 12.35 O
1771+HETATM 1341 C3' GCP A 167 12.928 35.646 21.146 1.00 14.16 C
1772+HETATM 1342 O3' GCP A 167 13.929 36.250 21.996 1.00 17.76 O
1773+HETATM 1343 C2' GCP A 167 13.462 35.456 19.713 1.00 14.82 C
1774+HETATM 1344 O2' GCP A 167 14.314 36.514 19.215 1.00 16.12 O
1775+HETATM 1345 C1' GCP A 167 14.311 34.190 19.917 1.00 13.95 C
1776+HETATM 1346 N9 GCP A 167 14.517 33.489 18.630 1.00 16.11 N
1777+HETATM 1347 C8 GCP A 167 13.576 33.067 17.718 1.00 12.81 C
1778+HETATM 1348 N7 GCP A 167 14.050 32.475 16.668 1.00 14.56 N
1779+HETATM 1349 C5 GCP A 167 15.431 32.465 16.916 1.00 14.09 C
1780+HETATM 1350 C6 GCP A 167 16.453 31.861 16.201 1.00 14.40 C
1781+HETATM 1351 O6 GCP A 167 16.393 31.271 15.130 1.00 16.12 O
1782+HETATM 1352 N1 GCP A 167 17.666 32.006 16.826 1.00 15.53 N
1783+HETATM 1353 C2 GCP A 167 17.922 32.786 17.906 1.00 15.31 C
1784+HETATM 1354 N2 GCP A 167 19.209 32.864 18.275 1.00 16.79 N
1785+HETATM 1355 N3 GCP A 167 16.947 33.303 18.638 1.00 13.85 N
1786+HETATM 1356 C4 GCP A 167 15.731 33.075 18.102 1.00 14.97 C
1787+HETATM 1357 O HOH A 169 13.286 43.090 18.056 1.00 27.46 O
1788+HETATM 1358 O HOH A 170 8.224 35.927 23.088 1.00 16.11 O
1789+HETATM 1359 O HOH A 171 3.112 37.732 19.503 1.00 35.44 O
1790+HETATM 1360 O HOH A 172 6.003 35.370 20.165 1.00 13.81 O
1791+HETATM 1361 O HOH A 173 3.820 32.074 18.024 1.00 10.94 O
1792+HETATM 1362 O HOH A 174 2.958 37.008 15.362 1.00 23.32 O
1793+HETATM 1363 O HOH A 175 2.197 32.509 23.984 1.00 18.21 O
1794+HETATM 1364 O HOH A 176 -1.215 37.519 19.614 1.00 27.98 O
1795+HETATM 1365 O HOH A 177 -3.170 29.834 -8.267 1.00 22.59 O
1796+HETATM 1366 O HOH A 178 16.769 26.098 26.566 1.00 46.05 O
1797+HETATM 1367 O HOH A 179 -1.931 40.810 2.266 1.00 43.46 O
1798+HETATM 1368 O HOH A 180 0.570 40.331 -0.415 1.00 23.99 O
1799+HETATM 1369 O HOH A 181 10.677 45.632 14.781 1.00 40.75 O
1800+HETATM 1370 O HOH A 182 16.681 42.351 15.953 1.00 41.40 O
1801+HETATM 1371 O HOH A 183 15.103 44.456 20.116 1.00 44.76 O
1802+HETATM 1372 O HOH A 184 11.679 37.592 13.137 1.00 14.62 O
1803+HETATM 1373 O HOH A 185 7.159 38.592 17.932 1.00 32.16 O
1804+HETATM 1374 O HOH A 186 9.161 37.867 19.940 1.00 24.76 O
1805+HETATM 1375 O HOH A 187 4.524 38.581 17.160 1.00 32.08 O
1806+HETATM 1376 O HOH A 188 4.019 30.142 24.929 1.00 31.95 O
1807+HETATM 1377 O HOH A 189 5.270 28.490 27.460 1.00 46.60 O
1808+HETATM 1378 O HOH A 190 5.072 25.572 26.041 1.00 26.13 O
1809+HETATM 1379 O HOH A 191 8.889 25.742 25.801 1.00 41.15 O
1810+HETATM 1380 O HOH A 192 -5.895 24.861 -5.065 1.00 44.90 O
1811+HETATM 1381 O HOH A 193 -6.923 26.423 1.064 1.00 25.57 O
1812+HETATM 1382 O HOH A 194 -2.500 23.370 -4.788 1.00 33.46 O
1813+HETATM 1383 O HOH A 195 -4.799 24.741 -0.895 1.00 33.82 O
1814+HETATM 1384 O HOH A 196 -7.410 27.250 -2.323 1.00 28.94 O
1815+HETATM 1385 O HOH A 197 24.587 19.581 25.411 1.00 32.20 O
1816+HETATM 1386 O HOH A 198 -6.061 26.998 10.705 1.00 37.44 O
1817+HETATM 1387 O HOH A 199 1.525 26.065 19.186 1.00 11.52 O
1818+HETATM 1388 O HOH A 200 -1.424 21.768 -6.891 1.00 45.63 O
1819+HETATM 1389 O HOH A 201 15.110 28.246 22.952 1.00 19.94 O
1820+HETATM 1390 O HOH A 202 13.555 31.327 24.056 1.00 38.60 O
1821+HETATM 1391 O HOH A 203 1.405 40.879 4.780 1.00 50.30 O
1822+HETATM 1392 O HOH A 204 -2.710 39.698 7.063 1.00 45.01 O
1823+HETATM 1393 O HOH A 205 9.720 41.975 3.599 1.00 37.19 O
1824+HETATM 1394 O HOH A 206 18.764 28.845 3.675 1.00 30.62 O
1825+HETATM 1395 O HOH A 207 15.656 29.076 2.850 1.00 21.70 O
1826+HETATM 1396 O HOH A 208 15.163 31.660 3.740 1.00 22.62 O
1827+HETATM 1397 O HOH A 209 7.051 43.855 22.852 1.00 43.14 O
1828+HETATM 1398 O HOH A 210 11.793 40.384 28.405 1.00 41.47 O
1829+HETATM 1399 O HOH A 211 10.526 42.687 25.007 1.00 26.29 O
1830+HETATM 1400 O HOH A 212 8.103 36.533 -7.734 1.00 46.12 O
1831+HETATM 1401 O HOH A 213 10.850 35.328 -6.454 1.00 47.80 O
1832+HETATM 1402 O HOH A 214 -0.382 30.349 -10.941 1.00 24.91 O
1833+HETATM 1403 O HOH A 215 3.176 29.511 -16.152 1.00 25.00 O
1834+HETATM 1404 O HOH A 216 4.441 16.132 5.186 1.00 18.54 O
1835+HETATM 1405 O HOH A 217 4.870 10.260 4.297 1.00 33.95 O
1836+HETATM 1406 O HOH A 218 0.891 14.086 2.993 1.00 33.52 O
1837+HETATM 1407 O HOH A 219 7.965 22.282 20.430 1.00 15.85 O
1838+HETATM 1408 O HOH A 220 2.844 10.266 14.849 1.00 35.23 O
1839+HETATM 1409 O HOH A 221 2.420 13.399 8.144 1.00 20.58 O
1840+HETATM 1410 O HOH A 222 2.935 4.254 5.102 1.00 48.26 O
1841+HETATM 1411 O HOH A 223 -4.240 8.550 7.038 1.00 38.37 O
1842+HETATM 1412 O HOH A 224 -13.371 23.047 17.878 1.00 43.51 O
1843+HETATM 1413 O HOH A 225 16.570 39.374 7.765 1.00 56.51 O
1844+HETATM 1414 O HOH A 226 -5.625 9.235 13.317 1.00 38.75 O
1845+HETATM 1415 O HOH A 227 -0.550 4.435 12.712 1.00 39.24 O
1846+HETATM 1416 O HOH A 228 1.932 8.506 11.190 1.00 50.87 O
1847+HETATM 1417 O HOH A 229 3.561 11.288 6.900 1.00 35.15 O
1848+HETATM 1418 O HOH A 230 18.342 7.645 5.117 1.00 52.50 O
1849+HETATM 1419 O HOH A 231 1.775 8.842 7.224 1.00 57.01 O
1850+HETATM 1420 O HOH A 232 24.727 22.909 12.684 1.00 45.10 O
1851+HETATM 1421 O HOH A 233 22.726 24.135 5.003 1.00 43.10 O
1852+HETATM 1422 O HOH A 234 25.677 30.888 20.536 1.00 32.17 O
1853+HETATM 1423 O HOH A 235 23.940 31.277 26.265 1.00 42.68 O
1854+HETATM 1424 O HOH A 236 27.163 20.508 19.941 1.00 43.64 O
1855+HETATM 1425 O HOH A 237 19.914 12.621 8.009 1.00 34.89 O
1856+HETATM 1426 O HOH A 238 28.314 14.459 13.712 1.00 48.52 O
1857+HETATM 1427 O HOH A 239 19.429 15.578 9.494 1.00 37.90 O
1858+HETATM 1428 O HOH A 240 4.675 8.087 13.328 1.00 41.37 O
1859+HETATM 1429 O HOH A 241 14.029 14.597 5.704 1.00 27.61 O
1860+HETATM 1430 O HOH A 242 16.093 16.260 6.549 1.00 21.95 O
1861+HETATM 1431 O HOH A 243 18.423 23.771 6.600 1.00 24.26 O
1862+HETATM 1432 O HOH A 244 22.851 36.547 21.620 1.00 46.29 O
1863+HETATM 1433 O HOH A 245 17.982 25.475 4.240 1.00 46.98 O
1864+HETATM 1434 O HOH A 246 13.264 20.753 0.930 1.00 36.54 O
1865+HETATM 1435 O HOH A 247 17.285 21.188 27.140 1.00 44.30 O
1866+HETATM 1436 O HOH A 248 24.207 19.614 13.930 1.00 32.39 O
1867+HETATM 1437 O HOH A 249 21.599 14.451 10.858 1.00 34.03 O
1868+HETATM 1438 O HOH A 250 16.924 46.057 24.660 1.00 39.94 O
1869+HETATM 1439 O HOH A 251 6.864 35.875 -4.614 1.00 29.21 O
1870+HETATM 1440 O HOH A 252 4.563 38.347 -5.185 1.00 31.86 O
1871+HETATM 1441 O HOH A 253 4.623 21.030 27.972 1.00 49.70 O
1872+HETATM 1442 O HOH A 254 9.083 31.134 -10.874 1.00 42.76 O
1873+HETATM 1443 O HOH A 255 -9.332 28.006 0.326 1.00 45.53 O
1874+HETATM 1444 O HOH A 256 24.331 24.231 17.096 1.00 44.15 O
1875+HETATM 1445 O HOH A 257 24.559 34.655 15.133 1.00 47.01 O
1876+HETATM 1446 O HOH A 258 16.462 32.265 22.194 1.00 34.77 O
1877+HETATM 1447 O HOH A 259 3.686 13.418 4.866 1.00 32.00 O
1878+HETATM 1448 O HOH A 260 2.816 15.476 1.406 1.00 43.04 O
1879+HETATM 1449 O HOH A 261 12.523 14.424 3.372 1.00 37.56 O
1880+HETATM 1450 O HOH A 262 23.675 33.559 17.782 1.00 27.66 O
1881+HETATM 1451 O HOH A 263 25.064 24.362 3.336 1.00 59.20 O
1882+HETATM 1452 O HOH A 264 12.052 37.030 -1.274 1.00 41.05 O
1883+HETATM 1453 O HOH A 265 -18.713 41.017 -2.825 1.00 45.01 O
1884+HETATM 1454 O HOH A 266 -11.212 28.766 6.364 1.00 44.29 O
1885+HETATM 1455 O HOH A 267 7.794 36.693 1.807 1.00 61.77 O
1886+HETATM 1456 O HOH A 268 3.612 40.868 15.951 1.00 35.22 O
1887+HETATM 1457 O HOH A 269 3.951 49.042 12.233 1.00 37.61 O
1888+HETATM 1458 O HOH A 270 3.314 43.581 7.279 1.00 38.87 O
1889+HETATM 1459 O HOH A 271 19.278 42.694 21.465 1.00 58.37 O
1890+HETATM 1460 O HOH A 272 14.036 44.868 23.984 1.00 40.18 O
1891+HETATM 1461 O HOH A 273 0.937 45.022 21.876 1.00 54.57 O
1892+HETATM 1462 O HOH A 274 0.057 44.459 17.907 1.00 51.40 O
1893+HETATM 1463 O HOH A 275 -6.020 36.567 14.528 1.00 47.40 O
1894+HETATM 1464 O HOH A 276 -9.997 33.513 16.868 1.00 62.39 O
1895+HETATM 1465 O HOH A 277 -3.622 38.962 13.074 1.00 47.83 O
1896+HETATM 1466 O HOH A 278 1.145 39.317 21.020 1.00 39.17 O
1897+HETATM 1467 O HOH A 279 -7.806 35.738 19.386 1.00 36.37 O
1898+HETATM 1468 O HOH A 280 0.992 32.387 -12.584 1.00 42.30 O
1899+HETATM 1469 O HOH A 281 -6.700 34.111 25.313 1.00 45.14 O
1900+HETATM 1470 O HOH A 282 -7.853 21.950 30.960 1.00 50.81 O
1901+HETATM 1471 O HOH A 283 -6.543 17.736 24.894 1.00 40.01 O
1902+HETATM 1472 O HOH A 284 -1.172 18.722 21.786 1.00 45.68 O
1903+HETATM 1473 O HOH A 285 4.492 7.389 10.039 1.00 45.84 O
1904+HETATM 1474 O HOH A 286 -14.897 27.157 12.768 1.00 40.10 O
1905+HETATM 1475 O HOH A 287 15.859 31.173 28.762 1.00 45.97 O
1906+HETATM 1476 O HOH A 288 21.108 27.488 25.257 1.00 54.48 O
1907+HETATM 1477 O HOH A 289 15.335 34.960 30.168 1.00 40.49 O
1908+HETATM 1478 O HOH A 290 18.826 34.958 24.938 1.00 42.58 O
1909+HETATM 1479 O HOH A 291 23.224 33.610 21.858 1.00 48.69 O
1910+HETATM 1480 O HOH A 292 11.251 36.300 23.848 1.00 28.57 O
1911+HETATM 1481 O HOH A 293 25.821 11.912 22.906 1.00 48.57 O
1912+HETATM 1482 O HOH A 294 14.600 21.596 27.962 1.00 42.54 O
1913+HETATM 1483 O HOH A 295 5.566 8.299 22.085 1.00 35.38 O
1914+HETATM 1484 O HOH A 296 6.759 9.792 18.325 1.00 41.98 O
1915+HETATM 1485 O HOH A 297 9.094 6.265 20.961 1.00 37.10 O
1916+HETATM 1486 O HOH A 298 -1.315 16.670 26.059 1.00 33.74 O
1917+HETATM 1487 O HOH A 299 17.839 30.542 24.018 1.00 42.08 O
1918+HETATM 1488 O HOH A 300 17.394 33.115 33.550 1.00 38.27 O
1919+HETATM 1489 O HOH A 301 2.143 7.348 20.177 1.00 48.31 O
1920+HETATM 1490 O HOH A 302 -4.502 12.719 20.527 1.00 42.28 O
1921+HETATM 1491 O HOH A 303 -0.639 5.394 6.534 1.00 53.26 O
1922+HETATM 1492 O HOH A 304 24.425 29.194 22.512 1.00 36.63 O
1923+HETATM 1493 O HOH A 305 25.171 37.288 17.988 1.00 48.57 O
1924+HETATM 1494 O HOH A 306 23.681 38.130 11.164 1.00 50.36 O
1925+HETATM 1495 O HOH A 307 17.354 9.140 17.568 1.00 41.21 O
1926+HETATM 1496 O HOH A 308 21.263 11.593 10.474 1.00 53.38 O
1927+HETATM 1497 O HOH A 309 24.352 35.672 12.425 1.00 48.27 O
1928+HETATM 1498 O HOH A 310 17.439 34.963 -1.155 1.00 61.93 O
1929+HETATM 1499 O HOH A 311 22.846 36.767 8.437 1.00 42.15 O
1930+HETATM 1500 O HOH A 312 12.871 27.810 -0.437 1.00 51.03 O
1931+HETATM 1501 O HOH A 313 -1.951 15.065 21.939 1.00 45.43 O
1932+HETATM 1502 O HOH A 314 21.529 36.489 26.976 1.00 49.14 O
1933+HETATM 1503 O HOH A 315 0.411 5.219 15.493 1.00 53.64 O
1934+HETATM 1504 O HOH A 316 1.300 5.776 10.310 1.00 40.24 O
1935+HETATM 1505 O HOH A 317 -3.976 38.839 19.679 1.00 59.63 O
1936+HETATM 1506 O HOH A 318 15.092 28.272 25.939 1.00 43.07 O
1937+HETATM 1507 O HOH A 319 16.763 45.743 17.448 1.00 30.43 O
1938+HETATM 1508 O HOH A 320 -3.866 40.603 4.334 1.00 36.82 O
1939+HETATM 1509 O HOH A 321 -1.503 40.535 9.756 1.00 44.76 O
1940+HETATM 1510 O HOH A 322 -6.054 37.987 8.185 1.00 47.33 O
1941+HETATM 1511 O HOH A 323 12.238 26.923 23.422 1.00 36.32 O
1942+HETATM 1512 O HOH A 324 10.472 35.330 1.890 1.00 43.23 O
1943+HETATM 1513 O HOH A 325 7.476 34.261 0.371 1.00 48.49 O
1944+HETATM 1514 O HOH A 326 8.790 39.044 3.211 1.00 36.44 O
1945+HETATM 1515 O HOH A 327 16.019 34.094 2.079 1.00 44.66 O
1946+HETATM 1516 O HOH A 328 12.859 41.753 25.915 1.00 37.38 O
1947+HETATM 1517 O HOH A 329 -1.917 7.148 13.440 1.00 41.18 O
1948+HETATM 1518 O HOH A 330 27.437 27.791 25.260 1.00 45.73 O
1949+HETATM 1519 O HOH A 331 28.313 16.544 20.041 1.00 46.62 O
1950+HETATM 1520 O HOH A 332 30.664 17.843 22.388 1.00 48.82 O
1951+HETATM 1521 O HOH A 333 25.098 25.384 28.198 1.00 43.86 O
1952+HETATM 1522 O HOH A 334 18.689 10.334 11.199 1.00 49.87 O
1953+HETATM 1523 O HOH A 335 28.643 13.641 16.398 1.00 47.25 O
1954+HETATM 1524 O HOH A 336 7.102 4.953 14.293 1.00 48.07 O
1955+HETATM 1525 O HOH A 337 11.785 15.936 0.574 1.00 49.91 O
1956+HETATM 1526 O HOH A 338 20.256 25.216 8.851 1.00 34.04 O
1957+HETATM 1527 O HOH A 339 20.566 32.399 5.051 1.00 53.77 O
1958+HETATM 1528 O HOH A 340 0.851 19.980 23.258 1.00 38.41 O
1959+HETATM 1529 O HOH A 341 -9.799 36.681 5.938 1.00 54.69 O
1960+HETATM 1530 O HOH A 342 -12.539 31.804 4.430 1.00 41.50 O
1961+HETATM 1531 O HOH A 343 12.873 8.295 16.669 1.00 47.05 O
1962+HETATM 1532 O HOH A 344 -8.551 33.147 -3.649 1.00 31.51 O
1963+HETATM 1533 O HOH A 345 -10.395 37.844 0.893 1.00 51.21 O
1964+HETATM 1534 O HOH A 346 -10.915 30.176 9.976 1.00 55.50 O
1965+HETATM 1535 O HOH A 347 -6.290 32.505 9.695 1.00 40.88 O
1966+HETATM 1536 O HOH A 348 3.372 47.290 20.329 1.00 39.96 O
1967+HETATM 1537 O HOH A 349 -12.101 31.064 14.506 1.00 60.96 O
1968+HETATM 1538 O HOH A 350 -6.926 34.110 13.342 1.00 60.27 O
1969+HETATM 1539 O HOH A 351 -7.679 23.900 34.079 1.00 31.32 O
1970+HETATM 1540 O HOH A 352 -10.235 23.855 27.031 1.00 43.38 O
1971+HETATM 1541 O HOH A 353 20.594 30.586 25.117 1.00 39.77 O
1972+HETATM 1542 O HOH A 354 8.176 8.679 23.903 1.00 50.57 O
1973+HETATM 1543 O HOH A 355 12.189 6.560 22.474 1.00 57.65 O
1974+HETATM 1544 O HOH A 356 4.173 6.061 15.607 1.00 50.89 O
1975+HETATM 1545 O HOH A 357 6.776 7.511 16.417 1.00 37.58 O
1976+HETATM 1546 O HOH A 358 13.027 30.333 -2.086 1.00 41.60 O
1977+HETATM 1547 O HOH A 359 -4.312 38.871 -6.155 1.00 34.57 O
1978+HETATM 1548 O HOH A 360 4.226 11.323 17.624 1.00 41.71 O
1979+HETATM 1549 O HOH A 361 22.341 27.132 10.735 1.00 24.44 O
1980+HETATM 1550 O HOH A 362 14.256 10.610 17.524 1.00 40.11 O
1981+HETATM 1551 O HOH A 363 26.542 18.231 27.104 1.00 35.00 O
1982+CONECT 117 1324
1983+CONECT 265 1324
1984+CONECT 1324 117 265 1327 1332
1985+CONECT 1324 1360 1361
1986+CONECT 1325 1326 1327 1328 1329
1987+CONECT 1326 1325
1988+CONECT 1327 1324 1325
1989+CONECT 1328 1325
1990+CONECT 1329 1325 1330
1991+CONECT 1330 1329 1331 1332 1333
1992+CONECT 1331 1330
1993+CONECT 1332 1324 1330
1994+CONECT 1333 1330 1334
1995+CONECT 1334 1333 1335 1336 1337
1996+CONECT 1335 1334
1997+CONECT 1336 1334
1998+CONECT 1337 1334 1338
1999+CONECT 1338 1337 1339
2000+CONECT 1339 1338 1340 1341
2001+CONECT 1340 1339 1345
2002+CONECT 1341 1339 1342 1343
2003+CONECT 1342 1341
2004+CONECT 1343 1341 1344 1345
2005+CONECT 1344 1343
2006+CONECT 1345 1340 1343 1346
2007+CONECT 1346 1345 1347 1356
2008+CONECT 1347 1346 1348
2009+CONECT 1348 1347 1349
2010+CONECT 1349 1348 1350 1356
2011+CONECT 1350 1349 1351 1352
2012+CONECT 1351 1350
2013+CONECT 1352 1350 1353
2014+CONECT 1353 1352 1354 1355
2015+CONECT 1354 1353
2016+CONECT 1355 1353 1356
2017+CONECT 1356 1346 1349 1355
2018+CONECT 1360 1324
2019+CONECT 1361 1324
2020+MASTER 352 1 2 5 6 6 9 6 1550 1 38 13
2021+END
--- /dev/null
+++ b/CTFCorrection/CTFCorrection2/Makefile
@@ -0,0 +1,131 @@
1+#
2+# This is Maikefile for CTF Correction Demo.
3+#
4+
5+#### Input extention ####
6+# These extensions must all be different.
7+INI_PDB_EXT=pdb
8+INI_MRC_EXT=inimrc
9+FIL_PDB_EXT=filpdb
10+FIL_MRC_EXT=filmrc
11+INPUT_3D_EXT=3d
12+INPUT_2D_EXT=2d
13+CTF_2D_EXT=prectf
14+FFT_2D_EXT=fft
15+CTF_INFO_EXT=ctfinfo
16+OUT_CTF_EXT=ctf
17+
18+#### Suffixes rule ####
19+.SUFFIXES: .$(INI_PDB_EXT) .$(INI_MRC_EXT) .$(FIL_PDB_EXT) .$(FIL_MRC_EXT) .$(INPUT_3D_EXT) .$(INPUT_2D_EXT) \
20+ .$(CTF_2D_EXT) .$(FFT_2D_EXT) .$(CTF_INFO_EXT) .$(OUT_CTF_EXT) .tiff
21+
22+#### INCLUDE ####
23+SHELL=/bin/bash
24+
25+-include ../CTFCorrection1/Makefile
26+-include INPUT_2D_LIST
27+-include CTF_2D_LIST
28+-include FFT_2D_LIST
29+-include CTF_INFO_LIST
30+
31+#### Definition ####
32+CCD=14.0
33+
34+# Input FileName
35+INPUT=Input
36+
37+### For pdbHelix
38+HELIX_DELTA_PHI=165
39+HELIX_DELTA_Z=5
40+HELIX_NUM_MOL=840
41+HELIX_PIXEL_X=2000
42+HELIX_PIXEL_Y=2000
43+HELIX_PIXEL_Z=2000
44+HELIX_START_X=-1000
45+HELIX_START_Y=-1000
46+HELIX_START_Z=-1000
47+HELIX_LENGTH_X=1
48+HELIX_LENGTH_Y=1
49+HELIX_LENGTH_Z=1
50+
51+### For pdb2mrc2d(Projection Angle of Filament)
52+PROJECTION_ANGLE_TYPE=YOYS
53+PROJECTION_ANGLE_1=60
54+PROJECTION_ANGLE_2=60
55+PROJECTION_ANGLE_3=0
56+PROJECTION_PIXEL_X=$(HELIX_PIXEL_Z)
57+PROJECTION_PIXEL_Y=$(HELIX_PIXEL_Z)
58+PROJECTION_START_X=`expr $(PROJECTION_PIXEL_X) / 10`
59+PROJECTION_START_Y=-`expr $(PROJECTION_PIXEL_Y) / 4`
60+#PROJECTION_START_X=0
61+#PROJECTION_START_Y=0
62+
63+### For mrcImageNoiseAdd
64+SNRATIO=10000
65+
66+#### For Works ####
67+JOP_NUM=-j 3
68+
69+
70+#### Rules of the list created ####
71+$(CTF_2D_EXT):$(INPUT_2D_LIST:.$(INPUT_2D_EXT)=.$(CTF_2D_EXT))
72+
73+
74+##### Commands #####
75+all::
76+# make InitialCTFDataFromPDB;
77+# make InitialSiemensStar;
78+ make InitialCTFDataFromMRC;
79+ make ProcessForInput;
80+ make TIF2CTF;
81+ make $(INPUT).tiff
82+
83+InitialCTFDataFromPDB::
84+ make $(INPUT).$(FIL_PDB_EXT);
85+ make $(INPUT).$(INPUT_2D_EXT);
86+
87+InitialCTFDataFromMRC::
88+ cp $(INPUT).$(INI_MRC_EXT) $(INPUT).$(INPUT_2D_EXT);
89+
90+InitialSiemensStar::
91+ mrcImageSiemensStar -o $(INPUT).$(INPUT_2D_EXT) -N 128 128;
92+
93+ProcessForInput::
94+ make $(INPUT).$(CTF_2D_EXT);
95+ ln -s $(INPUT).$(CTF_2D_EXT) $(INPUT).mrc;
96+ mrc2tiff -i $(INPUT).$(INPUT_2D_EXT) -o $(INPUT)_org.tiff;
97+ mrc2tiff -i $(INPUT).$(CTF_2D_EXT) -o $(INPUT).tiff -I;
98+ mrc2tiff -i $(INPUT).$(CTF_2D_EXT) -o $(INPUT).tif;
99+
100+
101+Test::
102+ mrcInfo -i Input.mrc -o INFO;
103+ NX=$$(head -1 INFO | awk '{printf("%d\n", $$4);}'); \
104+ NY=$$(head -1 INFO | awk '{printf("%d\n", $$5);}'); \
105+ echo $$NX $$NY;
106+
107+
108+##### Commands(Input to Output) #####
109+.$(INI_PDB_EXT).$(FIL_PDB_EXT):
110+ pdbHelix -i $*.$(INI_PDB_EXT) -o $*.$(FIL_PDB_EXT) -p $(HELIX_DELTA_PHI) -z $(HELIX_DELTA_Z) -n $(HELIX_NUM_MOL) \
111+ -nx $(HELIX_PIXEL_X) -ny $(HELIX_PIXEL_Y) -nz $(HELIX_PIXEL_Z) \
112+ -Sx $(HELIX_START_X) -Sy $(HELIX_START_Y) -Sz $(HELIX_START_Z) \
113+ -dx $(HELIX_LENGTH_X) -dy $(HELIX_LENGTH_Y) -dz $(HELIX_LENGTH_Z)
114+
115+.$(FIL_PDB_EXT).$(INPUT_3D_EXT):
116+ pdb2mrc -i $*.$(FIL_PDB_EXT) -o $*.$(INPUT_3D_EXT) -m 1
117+
118+.$(FIL_PDB_EXT).$(INPUT_2D_EXT):
119+ pdb2mrc2d -i $*.$(FIL_PDB_EXT) -o $*.$(INPUT_2D_EXT)tmp -w 100 -sig 1 -Rot 1 1 \
120+ -d $(HELIX_LENGTH_X) $(HELIX_LENGTH_Y) -n $(PROJECTION_PIXEL_X) $(PROJECTION_PIXEL_Y) -s $(PROJECTION_START_X) $(PROJECTION_START_Y) \
121+ -startEA $(PROJECTION_ANGLE_TYPE) $(PROJECTION_ANGLE_1) $(PROJECTION_ANGLE_2) $(PROJECTION_ANGLE_3);
122+
123+ mrcImageNoiseAdd -i $*.$(INPUT_2D_EXT)tmp -o $*.$(INPUT_2D_EXT) -SN $(SNRATIO);
124+ rm $*.$(INPUT_2D_EXT)tmp
125+
126+.$(INPUT_2D_EXT).$(CTF_2D_EXT):
127+ mrcImageCTFObservation -i $*.$(INPUT_2D_EXT) -o $*.$(CTF_2D_EXT)
128+
129+.$(OUT_CTF_EXT).tiff:
130+ mrc2tiff -i $*.$(OUT_CTF_EXT) -o $*_ctf.tiff
131+
\ No newline at end of file
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