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author	boris <bnagaev@gmail.com>
date	Tue, 19 Oct 2010 17:56:10 +0400
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1 HEADER MEMBRANE PROTEIN 08-JUN-01 1JCC

2 TITLE CRYSTAL STRUCTURE OF A NOVEL ALANINE-ZIPPER TRIMER AT 1.7 A

3 TITLE 2 RESOLUTION, V13A,L16A,V20A,L23A,V27A,M30A,V34A MUTATIONS

4 COMPND MOL_ID: 1;

5 COMPND 2 MOLECULE: MAJOR OUTER MEMBRANE LIPOPROTEIN;

6 COMPND 3 CHAIN: A, B, C;

7 COMPND 4 SYNONYM: MUREIN-LIPOPROTEIN;

8 COMPND 5 ENGINEERED: YES;

9 COMPND 6 MUTATION: YES

10 SOURCE MOL_ID: 1;

11 SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;

12 SOURCE 3 ORGANISM_TAXID: 562;

13 SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;

14 SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;

15 SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID

16 KEYWDS LIPOPROTEIN, PROTEIN FOLDING, COILED COIL, HELIX CAPPING,

17 KEYWDS 2 ALANINE-ZIPPER, MEMBRANE PROTEIN

18 EXPDTA X-RAY DIFFRACTION

19 AUTHOR J.LIU,J.DAI,M.LU

20 REVDAT 2 24-FEB-09 1JCC 1 VERSN

21 REVDAT 1 17-JUN-03 1JCC 0

22 JRNL AUTH J.LIU,J.DAI,M.LU

23 JRNL TITL ZINC-MEDIATED HELIX CAPPING IN A TRIPLE-HELICAL

24 JRNL TITL 2 PROTEIN

25 JRNL REF BIOCHEMISTRY V. 42 5657 2003

26 JRNL REFN ISSN 0006-2960

27 JRNL PMID 12741822

28 JRNL DOI 10.1021/BI026828A

29 REMARK 1

30 REMARK 2

31 REMARK 2 RESOLUTION. 1.70 ANGSTROMS.

32 REMARK 3

33 REMARK 3 REFINEMENT.

34 REMARK 3 PROGRAM : CNS 1.0

35 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-

36 REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,

37 REMARK 3 : READ,RICE,SIMONSON,WARREN

38 REMARK 3

39 REMARK 3 REFINEMENT TARGET : ENGH & HUBER

40 REMARK 3

41 REMARK 3 DATA USED IN REFINEMENT.

42 REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70

43 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 35.13

44 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000

45 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1029074.030

46 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000

47 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.6

48 REMARK 3 NUMBER OF REFLECTIONS : 15821

49 REMARK 3

50 REMARK 3 FIT TO DATA USED IN REFINEMENT.

51 REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT

52 REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM

53 REMARK 3 R VALUE (WORKING SET) : 0.192

54 REMARK 3 FREE R VALUE : 0.223

55 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100

56 REMARK 3 FREE R VALUE TEST SET COUNT : 1594

57 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006

58 REMARK 3

59 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.

60 REMARK 3 TOTAL NUMBER OF BINS USED : 6

61 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70

62 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.81

63 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.30

64 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2360

65 REMARK 3 BIN R VALUE (WORKING SET) : 0.2500

66 REMARK 3 BIN FREE R VALUE : 0.2990

67 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.60

68 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 252

69 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.019

70 REMARK 3

71 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

72 REMARK 3 PROTEIN ATOMS : 1094

73 REMARK 3 NUCLEIC ACID ATOMS : 0

74 REMARK 3 HETEROGEN ATOMS : 3

75 REMARK 3 SOLVENT ATOMS : 234

76 REMARK 3

77 REMARK 3 B VALUES.

78 REMARK 3 FROM WILSON PLOT (A**2) : 21.90

79 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.10

80 REMARK 3 OVERALL ANISOTROPIC B VALUE.

81 REMARK 3 B11 (A**2) : 7.56000

82 REMARK 3 B22 (A**2) : -1.56000

83 REMARK 3 B33 (A**2) : -5.99000

84 REMARK 3 B12 (A**2) : 0.00000

85 REMARK 3 B13 (A**2) : 0.45000

86 REMARK 3 B23 (A**2) : 0.00000

87 REMARK 3

88 REMARK 3 ESTIMATED COORDINATE ERROR.

89 REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.19

90 REMARK 3 ESD FROM SIGMAA (A) : 0.18

91 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00

92 REMARK 3

93 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.

94 REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.22

95 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.21

96 REMARK 3

97 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.

98 REMARK 3 BOND LENGTHS (A) : 0.006

99 REMARK 3 BOND ANGLES (DEGREES) : 0.90

100 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 15.50

101 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.68

102 REMARK 3

103 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED

104 REMARK 3

105 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA

106 REMARK 3 MAIN-CHAIN BOND (A**2) : 1.170 ; 1.500

107 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.620 ; 2.000

108 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.550 ; 2.000

109 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.670 ; 2.500

110 REMARK 3

111 REMARK 3 BULK SOLVENT MODELING.

112 REMARK 3 METHOD USED : FLAT MODEL

113 REMARK 3 KSOL : 0.41

114 REMARK 3 BSOL : 73.90

115 REMARK 3

116 REMARK 3 NCS MODEL : NULL

117 REMARK 3

118 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT

119 REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL

120 REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL

121 REMARK 3

122 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM

123 REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM

124 REMARK 3 PARAMETER FILE 3 : ION.PARAM

125 REMARK 3 PARAMETER FILE 4 : NULL

126 REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP

127 REMARK 3 TOPOLOGY FILE 2 : WATER.TOP

128 REMARK 3 TOPOLOGY FILE 3 : ION.TOP

129 REMARK 3 TOPOLOGY FILE 4 : NULL

130 REMARK 3

131 REMARK 3 OTHER REFINEMENT REMARKS: NULL

132 REMARK 4

133 REMARK 4 1JCC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08

134 REMARK 100

135 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUN-01.

136 REMARK 100 THE RCSB ID CODE IS RCSB013617.

137 REMARK 200

138 REMARK 200 EXPERIMENTAL DETAILS

139 REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION

140 REMARK 200 DATE OF DATA COLLECTION : 20-APR-00

141 REMARK 200 TEMPERATURE (KELVIN) : 95

142 REMARK 200 PH : 5.6

143 REMARK 200 NUMBER OF CRYSTALS USED : 1

144 REMARK 200

145 REMARK 200 SYNCHROTRON (Y/N) : Y

146 REMARK 200 RADIATION SOURCE : NSLS

147 REMARK 200 BEAMLINE : X26C

148 REMARK 200 X-RAY GENERATOR MODEL : NULL

149 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M

150 REMARK 200 WAVELENGTH OR RANGE (A) : 1.1000

151 REMARK 200 MONOCHROMATOR : GRAPHITE

152 REMARK 200 OPTICS : NULL

153 REMARK 200

154 REMARK 200 DETECTOR TYPE : CCD

155 REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4

156 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MADNES

157 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK

158 REMARK 200

159 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15821

160 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700

161 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000

162 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000

163 REMARK 200

164 REMARK 200 OVERALL.

165 REMARK 200 COMPLETENESS FOR RANGE (%) : 97.6

166 REMARK 200 DATA REDUNDANCY : 2.500

167 REMARK 200 R MERGE (I) : 0.07900

168 REMARK 200 R SYM (I) : NULL

169 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 7.7000

170 REMARK 200

171 REMARK 200 IN THE HIGHEST RESOLUTION SHELL.

172 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70

173 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76

174 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.6

175 REMARK 200 DATA REDUNDANCY IN SHELL : 2.50

176 REMARK 200 R MERGE FOR SHELL (I) : 0.38300

177 REMARK 200 R SYM FOR SHELL (I) : NULL

178 REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.300

179 REMARK 200

180 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH

181 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT

182 REMARK 200 SOFTWARE USED: AMORE

183 REMARK 200 STARTING MODEL: PDB ENTRY 1EQ7

184 REMARK 200

185 REMARK 200 REMARK: NULL

186 REMARK 280

187 REMARK 280 CRYSTAL

188 REMARK 280 SOLVENT CONTENT, VS (%): 40.33

189 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06

190 REMARK 280

191 REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM ACETATE, ZINC ACETATE, PEG

192 REMARK 280 8000, PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K

193 REMARK 290

194 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY

195 REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 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 -X,Y,-Z

201 REMARK 290 3555 X+1/2,Y+1/2,Z

202 REMARK 290 4555 -X+1/2,Y+1/2,-Z

203 REMARK 290

204 REMARK 290 WHERE NNN -> OPERATOR NUMBER

205 REMARK 290 MMM -> TRANSLATION VECTOR

206 REMARK 290

207 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS

208 REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM

209 REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY

210 REMARK 290 RELATED MOLECULES.

211 REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000

212 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000

213 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000

214 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000

215 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000

216 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000

217 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 31.19400

218 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 16.66100

219 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000

220 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 31.19400

221 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 16.66100

222 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000

223 REMARK 290

224 REMARK 290 REMARK: NULL

225 REMARK 300

226 REMARK 300 BIOMOLECULE: 1

227 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM

228 REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN

229 REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON

230 REMARK 300 BURIED SURFACE AREA.

231 REMARK 300 REMARK: THE BIOLOGICAL ASSEMBLY IS A TRIMER.

232 REMARK 350

233 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN

234 REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE

235 REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS

236 REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND

237 REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.

238 REMARK 350

239 REMARK 350 BIOMOLECULE: 1

240 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC

241 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC

242 REMARK 350 SOFTWARE USED: PISA

243 REMARK 350 TOTAL BURIED SURFACE AREA: 5650 ANGSTROM**2

244 REMARK 350 SURFACE AREA OF THE COMPLEX: 8700 ANGSTROM**2

245 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -101.0 KCAL/MOL

246 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C

247 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000

248 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000

249 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000

250 REMARK 465

251 REMARK 465 MISSING RESIDUES

252 REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE

253 REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN

254 REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)

255 REMARK 465

256 REMARK 465 M RES C SSSEQI

257 REMARK 465 ALA A 52

258 REMARK 465 THR A 53

259 REMARK 465 LYS A 54

260 REMARK 465 TYR A 55

261 REMARK 465 ARG A 56

262 REMARK 465 THR B 53

263 REMARK 465 LYS B 54

264 REMARK 465 TYR B 55

265 REMARK 465 ARG B 56

266 REMARK 465 LYS C 54

267 REMARK 465 TYR C 55

268 REMARK 465 ARG C 56

269 REMARK 470

270 REMARK 470 MISSING ATOM

271 REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER;

272 REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;

273 REMARK 470 I=INSERTION CODE):

274 REMARK 470 M RES CSSEQI ATOMS

275 REMARK 470 GLN A 14 CD OE1 NE2

276 REMARK 470 LYS A 19 CD CE NZ

277 REMARK 470 GLN A 46 CD OE1 NE2

278 REMARK 470 MET A 51 O

279 REMARK 470 GLN B 14 CD OE1 NE2

280 REMARK 470 GLN B 46 CD OE1 NE2

281 REMARK 470 ALA B 52 O

282 REMARK 470 GLN C 14 CD OE1 NE2

283 REMARK 470 GLN C 22 CD OE1 NE2

284 REMARK 470 THR C 53 O

285 REMARK 500

286 REMARK 500 GEOMETRY AND STEREOCHEMISTRY

287 REMARK 500 SUBTOPIC: TORSION ANGLES

288 REMARK 500

289 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:

290 REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;

291 REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).

292 REMARK 500

293 REMARK 500 STANDARD TABLE:

294 REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)

295 REMARK 500

296 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-

297 REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400

298 REMARK 500

299 REMARK 500 M RES CSSEQI PSI PHI

300 REMARK 500 ASN A 50 55.39 -97.86

301 REMARK 500

302 REMARK 500 REMARK: NULL

303 REMARK 525

304 REMARK 525 SOLVENT

305 REMARK 525

306 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT

307 REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST

308 REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT

309 REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE

310 REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;

311 REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE

312 REMARK 525 NUMBER; I=INSERTION CODE):

313 REMARK 525

314 REMARK 525 M RES CSSEQI

315 REMARK 525 HOH A 174 DISTANCE = 6.08 ANGSTROMS

316 REMARK 525 HOH A 202 DISTANCE = 6.09 ANGSTROMS

317 REMARK 525 HOH C 294 DISTANCE = 5.70 ANGSTROMS

318 REMARK 525 HOH B 302 DISTANCE = 8.76 ANGSTROMS

319 REMARK 525 HOH A 287 DISTANCE = 5.90 ANGSTROMS

320 REMARK 525 HOH A 303 DISTANCE = 7.51 ANGSTROMS

321 REMARK 525 HOH A 304 DISTANCE = 7.35 ANGSTROMS

322 REMARK 525 HOH A 306 DISTANCE = 6.62 ANGSTROMS

323 REMARK 620

324 REMARK 620 METAL COORDINATION

325 REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;

326 REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):

327 REMARK 620

328 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL

329 REMARK 620 ZN A 81 ZN

330 REMARK 620 N RES CSSEQI ATOM

331 REMARK 620 1 SER A 1 N

332 REMARK 620 2 HOH A 334 O 86.5

333 REMARK 620 3 ASP A 7 OD2 132.0 125.2

334 REMARK 620 4 SER A 1 O 68.1 149.9 84.7

335 REMARK 620 5 ASP C 26 OD1 128.2 89.9 90.7 93.5

336 REMARK 620 6 ASP C 26 OD2 78.0 79.0 136.8 80.1 50.7

337 REMARK 620 N 1 2 3 4 5

338 REMARK 620

339 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL

340 REMARK 620 ZN B 82 ZN

341 REMARK 620 N RES CSSEQI ATOM

342 REMARK 620 1 ASP B 7 OD1

343 REMARK 620 2 SER B 1 N 104.2

344 REMARK 620 3 SER B 1 O 104.4 69.6

345 REMARK 620 4 ASP B 7 OD2 48.3 131.3 79.4

346 REMARK 620 5 ASP B 26 OD1 162.7 93.1 82.2 119.4

347 REMARK 620 6 HOH B 210 O 93.6 98.8 160.4 119.1 82.8

348 REMARK 620 N 1 2 3 4 5

349 REMARK 620

350 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL

351 REMARK 620 ZN C 83 ZN

352 REMARK 620 N RES CSSEQI ATOM

353 REMARK 620 1 SER C 1 N

354 REMARK 620 2 SER C 1 O 75.1

355 REMARK 620 3 ASP C 7 OD2 126.8 95.3

356 REMARK 620 4 HOH C 194 O 90.5 159.4 105.2

357 REMARK 620 5 ASP A 26 OD2 89.3 79.6 141.2 85.6

358 REMARK 620 6 ASP A 26 OD1 141.7 93.1 89.9 89.3 52.5

359 REMARK 620 N 1 2 3 4 5

360 REMARK 800

361 REMARK 800 SITE

362 REMARK 800 SITE_IDENTIFIER: AC1

363 REMARK 800 EVIDENCE_CODE: SOFTWARE

364 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 81

365 REMARK 800 SITE_IDENTIFIER: AC2

366 REMARK 800 EVIDENCE_CODE: SOFTWARE

367 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 82

368 REMARK 800 SITE_IDENTIFIER: AC3

369 REMARK 800 EVIDENCE_CODE: SOFTWARE

370 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN C 83

371 REMARK 900

372 REMARK 900 RELATED ENTRIES

373 REMARK 900 RELATED ID: 1EQ7 RELATED DB: PDB

374 REMARK 900 1EQ7 IS THE WILD TYPE PROTEIN STRUCTURE

375 REMARK 900 RELATED ID: 1JCB RELATED DB: PDB

376 REMARK 900 1JCB HAS THE FOLLOWING MUTATIONS: M30A,V34A

377 REMARK 900 RELATED ID: 1JCD RELATED DB: PDB

378 REMARK 900 1JCD HAS THE FOLLOWING MUTATIONS: I6A,L9A,V13A,L16A,V20A,

379 REMARK 900 L23A,V27A,M30A,V34A,L48A,M51A

380 DBREF 1JCC A 1 56 UNP P69776 LPP_ECOLI 22 77

381 DBREF 1JCC B 1 56 UNP P69776 LPP_ECOLI 22 77

382 DBREF 1JCC C 1 56 UNP P69776 LPP_ECOLI 22 77

383 SEQADV 1JCC ALA A 13 UNP P69776 VAL 34 ENGINEERED

384 SEQADV 1JCC ALA A 16 UNP P69776 LEU 37 ENGINEERED

385 SEQADV 1JCC ALA A 20 UNP P69776 VAL 41 ENGINEERED

386 SEQADV 1JCC ALA A 23 UNP P69776 LEU 44 ENGINEERED

387 SEQADV 1JCC ALA A 27 UNP P69776 VAL 48 ENGINEERED

388 SEQADV 1JCC ALA A 30 UNP P69776 MET 51 ENGINEERED

389 SEQADV 1JCC ALA A 34 UNP P69776 VAL 55 ENGINEERED

390 SEQADV 1JCC ALA B 13 UNP P69776 VAL 34 ENGINEERED

391 SEQADV 1JCC ALA B 16 UNP P69776 LEU 37 ENGINEERED

392 SEQADV 1JCC ALA B 20 UNP P69776 VAL 41 ENGINEERED

393 SEQADV 1JCC ALA B 23 UNP P69776 LEU 44 ENGINEERED

394 SEQADV 1JCC ALA B 27 UNP P69776 VAL 48 ENGINEERED

395 SEQADV 1JCC ALA B 30 UNP P69776 MET 51 ENGINEERED

396 SEQADV 1JCC ALA B 34 UNP P69776 VAL 55 ENGINEERED

397 SEQADV 1JCC ALA C 13 UNP P69776 VAL 34 ENGINEERED

398 SEQADV 1JCC ALA C 16 UNP P69776 LEU 37 ENGINEERED

399 SEQADV 1JCC ALA C 20 UNP P69776 VAL 41 ENGINEERED

400 SEQADV 1JCC ALA C 23 UNP P69776 LEU 44 ENGINEERED

401 SEQADV 1JCC ALA C 27 UNP P69776 VAL 48 ENGINEERED

402 SEQADV 1JCC ALA C 30 UNP P69776 MET 51 ENGINEERED

403 SEQADV 1JCC ALA C 34 UNP P69776 VAL 55 ENGINEERED

404 SEQRES 1 A 56 SER SER ASN ALA LYS ILE ASP GLN LEU SER SER ASP ALA

405 SEQRES 2 A 56 GLN THR ALA ASN ALA LYS ALA ASP GLN ALA SER ASN ASP

406 SEQRES 3 A 56 ALA ASN ALA ALA ARG SER ASP ALA GLN ALA ALA LYS ASP

407 SEQRES 4 A 56 ASP ALA ALA ARG ALA ASN GLN ARG LEU ASP ASN MET ALA

408 SEQRES 5 A 56 THR LYS TYR ARG

409 SEQRES 1 B 56 SER SER ASN ALA LYS ILE ASP GLN LEU SER SER ASP ALA

410 SEQRES 2 B 56 GLN THR ALA ASN ALA LYS ALA ASP GLN ALA SER ASN ASP

411 SEQRES 3 B 56 ALA ASN ALA ALA ARG SER ASP ALA GLN ALA ALA LYS ASP

412 SEQRES 4 B 56 ASP ALA ALA ARG ALA ASN GLN ARG LEU ASP ASN MET ALA

413 SEQRES 5 B 56 THR LYS TYR ARG

414 SEQRES 1 C 56 SER SER ASN ALA LYS ILE ASP GLN LEU SER SER ASP ALA

415 SEQRES 2 C 56 GLN THR ALA ASN ALA LYS ALA ASP GLN ALA SER ASN ASP

416 SEQRES 3 C 56 ALA ASN ALA ALA ARG SER ASP ALA GLN ALA ALA LYS ASP

417 SEQRES 4 C 56 ASP ALA ALA ARG ALA ASN GLN ARG LEU ASP ASN MET ALA

418 SEQRES 5 C 56 THR LYS TYR ARG

419 HET ZN A 81 1

420 HET ZN B 82 1

421 HET ZN C 83 1

422 HETNAM ZN ZINC ION

423 FORMUL 4 ZN 3(ZN 2+)

424 FORMUL 7 HOH *234(H2 O)

425 HELIX 1 1 ASN A 3 ASN A 50 1 48

426 HELIX 2 2 ASN B 3 MET B 51 1 49

427 HELIX 3 3 ASN C 3 ASN C 50 1 48

428 LINK ZN ZN A 81 N SER A 1 1555 1555 2.72

429 LINK ZN ZN A 81 O HOH A 334 1555 1555 2.54

430 LINK ZN ZN A 81 OD2 ASP A 7 1555 1555 2.41

431 LINK ZN ZN A 81 O SER A 1 1555 1555 2.44

432 LINK ZN ZN B 82 OD1 ASP B 7 1555 1555 2.75

433 LINK ZN ZN B 82 N SER B 1 1555 1555 2.72

434 LINK ZN ZN B 82 O SER B 1 1555 1555 2.32

435 LINK ZN ZN B 82 OD2 ASP B 7 1555 1555 2.62

436 LINK ZN ZN C 83 N SER C 1 1555 1555 2.41

437 LINK ZN ZN C 83 O SER C 1 1555 1555 2.33

438 LINK ZN ZN C 83 OD2 ASP C 7 1555 1555 2.24

439 LINK ZN ZN C 83 O HOH C 194 1555 1555 2.34

440 LINK ZN ZN A 81 OD1 ASP C 26 1555 4556 2.34

441 LINK ZN ZN A 81 OD2 ASP C 26 1555 4556 2.74

442 LINK ZN ZN B 82 OD1 ASP B 26 1555 2656 2.25

443 LINK ZN ZN B 82 O HOH B 210 1555 2656 2.68

444 LINK ZN ZN C 83 OD2 ASP A 26 1555 4546 2.62

445 LINK ZN ZN C 83 OD1 ASP A 26 1555 4546 2.32

446 SITE 1 AC1 4 SER A 1 ASP A 7 HOH A 334 ASP C 26

447 SITE 1 AC2 4 SER B 1 ASP B 7 ASP B 26 HOH B 210

448 SITE 1 AC3 4 ASP A 26 SER C 1 ASP C 7 HOH C 194

449 CRYST1 62.388 33.322 71.979 90.00 102.55 90.00 C 1 2 1 12

450 ORIGX1 1.000000 0.000000 0.000000 0.00000

451 ORIGX2 0.000000 1.000000 0.000000 0.00000

452 ORIGX3 0.000000 0.000000 1.000000 0.00000

453 SCALE1 0.016029 0.000000 0.003567 0.00000

454 SCALE2 0.000000 0.030010 0.000000 0.00000

455 SCALE3 0.000000 0.000000 0.014233 0.00000

456 ATOM 1 N SER A 1 5.341 6.787 52.531 1.00 30.93 N

457 ATOM 2 CA SER A 1 6.670 6.462 53.126 1.00 28.61 C

458 ATOM 3 C SER A 1 7.356 7.713 53.664 1.00 28.30 C

459 ATOM 4 O SER A 1 7.441 8.739 52.991 1.00 25.79 O

460 ATOM 5 CB SER A 1 7.570 5.801 52.079 1.00 29.39 C

461 ATOM 6 OG SER A 1 8.851 5.515 52.615 1.00 29.28 O

462 ATOM 7 N SER A 2 7.845 7.629 54.891 1.00 26.67 N

463 ATOM 8 CA SER A 2 8.536 8.756 55.489 1.00 26.19 C

464 ATOM 9 C SER A 2 9.968 8.789 54.949 1.00 25.39 C

465 ATOM 10 O SER A 2 10.714 9.739 55.197 1.00 24.00 O

466 ATOM 11 CB SER A 2 8.547 8.608 57.009 1.00 27.07 C

467 ATOM 12 OG SER A 2 9.116 7.364 57.371 1.00 29.98 O

468 ATOM 13 N ASN A 3 10.338 7.754 54.197 1.00 23.68 N

469 ATOM 14 CA ASN A 3 11.677 7.650 53.615 1.00 23.10 C

470 ATOM 15 C ASN A 3 11.708 8.251 52.210 1.00 22.89 C

471 ATOM 16 O ASN A 3 11.178 7.667 51.258 1.00 22.78 O

472 ATOM 17 CB ASN A 3 12.111 6.180 53.561 1.00 25.45 C

473 ATOM 18 CG ASN A 3 13.564 6.009 53.151 1.00 26.64 C

474 ATOM 19 OD1 ASN A 3 13.988 6.482 52.097 1.00 27.63 O

475 ATOM 20 ND2 ASN A 3 14.333 5.314 53.984 1.00 27.49 N

476 ATOM 21 N ALA A 4 12.342 9.414 52.083 1.00 21.43 N

477 ATOM 22 CA ALA A 4 12.433 10.112 50.802 1.00 20.48 C

478 ATOM 23 C ALA A 4 13.109 9.293 49.705 1.00 20.46 C

479 ATOM 24 O ALA A 4 12.691 9.332 48.543 1.00 19.29 O

480 ATOM 25 CB ALA A 4 13.171 11.433 50.986 1.00 21.73 C

481 ATOM 26 N LYS A 5 14.152 8.553 50.067 1.00 20.26 N

482 ATOM 27 CA LYS A 5 14.874 7.744 49.082 1.00 19.74 C

483 ATOM 28 C LYS A 5 13.971 6.682 48.460 1.00 19.05 C

484 ATOM 29 O LYS A 5 14.008 6.457 47.247 1.00 17.88 O

485 ATOM 30 CB LYS A 5 16.088 7.080 49.736 1.00 20.39 C

486 ATOM 31 CG LYS A 5 16.847 6.103 48.847 1.00 20.79 C

487 ATOM 32 CD LYS A 5 17.501 6.789 47.664 1.00 22.45 C

488 ATOM 33 CE LYS A 5 18.411 5.820 46.920 1.00 23.30 C

489 ATOM 34 NZ LYS A 5 18.972 6.423 45.681 1.00 26.14 N

490 ATOM 35 N ILE A 6 13.161 6.033 49.289 1.00 17.27 N

491 ATOM 36 CA ILE A 6 12.254 5.009 48.794 1.00 17.86 C

492 ATOM 37 C ILE A 6 11.224 5.630 47.847 1.00 17.56 C

493 ATOM 38 O ILE A 6 10.875 5.026 46.833 1.00 17.47 O

494 ATOM 39 CB ILE A 6 11.553 4.278 49.959 1.00 17.62 C

495 ATOM 40 CG1 ILE A 6 12.582 3.448 50.730 1.00 18.99 C

496 ATOM 41 CG2 ILE A 6 10.467 3.347 49.429 1.00 18.54 C

497 ATOM 42 CD1 ILE A 6 12.032 2.824 51.991 1.00 22.40 C

498 ATOM 43 N ASP A 7 10.747 6.835 48.153 1.00 15.33 N

499 ATOM 44 CA ASP A 7 9.775 7.479 47.261 1.00 17.54 C

500 ATOM 45 C ASP A 7 10.394 7.818 45.912 1.00 16.54 C

501 ATOM 46 O ASP A 7 9.763 7.648 44.865 1.00 17.43 O

502 ATOM 47 CB ASP A 7 9.226 8.769 47.860 1.00 19.65 C

503 ATOM 48 CG ASP A 7 8.266 8.521 48.987 1.00 22.08 C

504 ATOM 49 OD1 ASP A 7 7.568 7.478 48.972 1.00 22.40 O

505 ATOM 50 OD2 ASP A 7 8.204 9.391 49.880 1.00 24.72 O

506 ATOM 51 N GLN A 8 11.624 8.320 45.945 1.00 15.76 N

507 ATOM 52 CA GLN A 8 12.338 8.683 44.726 1.00 17.47 C

508 ATOM 53 C GLN A 8 12.571 7.456 43.849 1.00 16.36 C

509 ATOM 54 O GLN A 8 12.440 7.525 42.623 1.00 16.31 O

510 ATOM 55 CB GLN A 8 13.679 9.332 45.077 1.00 19.41 C

511 ATOM 56 CG GLN A 8 14.555 9.631 43.872 1.00 26.06 C

512 ATOM 57 CD GLN A 8 15.904 10.187 44.270 1.00 30.55 C

513 ATOM 58 OE1 GLN A 8 16.653 9.552 45.019 1.00 34.92 O

514 ATOM 59 NE2 GLN A 8 16.227 11.378 43.770 1.00 33.86 N

515 ATOM 60 N LEU A 9 12.916 6.334 44.471 1.00 15.99 N

516 ATOM 61 CA LEU A 9 13.151 5.107 43.713 1.00 16.34 C

517 ATOM 62 C LEU A 9 11.857 4.568 43.129 1.00 16.69 C

518 ATOM 63 O LEU A 9 11.843 4.038 42.020 1.00 15.67 O

519 ATOM 64 CB LEU A 9 13.777 4.032 44.601 1.00 17.76 C

520 ATOM 65 CG LEU A 9 15.212 4.302 45.050 1.00 19.97 C

521 ATOM 66 CD1 LEU A 9 15.663 3.191 45.978 1.00 21.43 C

522 ATOM 67 CD2 LEU A 9 16.124 4.408 43.836 1.00 23.86 C

523 ATOM 68 N SER A 10 10.772 4.688 43.887 1.00 15.38 N

524 ATOM 69 CA SER A 10 9.478 4.205 43.419 1.00 16.27 C

525 ATOM 70 C SER A 10 9.069 4.990 42.174 1.00 17.33 C

526 ATOM 71 O SER A 10 8.572 4.415 41.202 1.00 16.71 O

527 ATOM 72 CB SER A 10 8.417 4.366 44.515 1.00 17.47 C

528 ATOM 73 OG SER A 10 7.140 3.948 44.053 1.00 20.53 O

529 ATOM 74 N SER A 11 9.292 6.302 42.209 1.00 16.55 N

530 ATOM 75 CA SER A 11 8.963 7.178 41.090 1.00 17.26 C

531 ATOM 76 C SER A 11 9.825 6.860 39.869 1.00 17.29 C

532 ATOM 77 O SER A 11 9.304 6.689 38.760 1.00 16.68 O

533 ATOM 78 CB SER A 11 9.161 8.641 41.495 1.00 18.17 C

534 ATOM 79 OG SER A 11 8.824 9.522 40.436 1.00 21.12 O

535 ATOM 80 N ASP A 12 11.141 6.775 40.069 1.00 15.00 N

536 ATOM 81 CA ASP A 12 12.059 6.479 38.963 1.00 16.38 C

537 ATOM 82 C ASP A 12 11.768 5.131 38.295 1.00 15.01 C

538 ATOM 83 O ASP A 12 11.880 5.001 37.070 1.00 14.57 O

539 ATOM 84 CB ASP A 12 13.523 6.471 39.435 1.00 17.61 C

540 ATOM 85 CG ASP A 12 14.019 7.836 39.887 1.00 20.26 C

541 ATOM 86 OD1 ASP A 12 13.513 8.871 39.405 1.00 20.73 O

542 ATOM 87 OD2 ASP A 12 14.949 7.867 40.723 1.00 23.08 O

543 ATOM 88 N ALA A 13 11.407 4.125 39.089 1.00 13.68 N

544 ATOM 89 CA ALA A 13 11.136 2.806 38.531 1.00 15.98 C

545 ATOM 90 C ALA A 13 9.878 2.837 37.673 1.00 16.20 C

546 ATOM 91 O ALA A 13 9.830 2.222 36.606 1.00 15.47 O

547 ATOM 92 CB ALA A 13 10.984 1.780 39.646 1.00 16.88 C

548 ATOM 93 N GLN A 14 8.860 3.551 38.143 1.00 16.91 N

549 ATOM 94 CA GLN A 14 7.604 3.656 37.405 1.00 18.32 C

550 ATOM 95 C GLN A 14 7.822 4.432 36.105 1.00 18.22 C

551 ATOM 96 O GLN A 14 7.257 4.089 35.057 1.00 19.65 O

552 ATOM 97 CB GLN A 14 6.540 4.347 38.271 1.00 21.36 C

553 ATOM 98 CG GLN A 14 5.298 4.434 37.585 1.00 26.45 C

554 ATOM 99 N THR A 15 8.643 5.476 36.172 1.00 17.55 N

555 ATOM 100 CA THR A 15 8.941 6.294 34.998 1.00 17.22 C

556 ATOM 101 C THR A 15 9.706 5.483 33.941 1.00 16.37 C

557 ATOM 102 O THR A 15 9.449 5.607 32.733 1.00 17.45 O

558 ATOM 103 CB THR A 15 9.763 7.543 35.398 1.00 17.89 C

559 ATOM 104 OG1 THR A 15 8.958 8.390 36.229 1.00 18.40 O

560 ATOM 105 CG2 THR A 15 10.200 8.328 34.161 1.00 19.34 C

561 ATOM 106 N ALA A 16 10.643 4.650 34.386 1.00 14.99 N

562 ATOM 107 CA ALA A 16 11.404 3.831 33.445 1.00 14.22 C

563 ATOM 108 C ALA A 16 10.478 2.849 32.726 1.00 14.09 C

564 ATOM 109 O ALA A 16 10.607 2.621 31.525 1.00 14.25 O

565 ATOM 110 CB ALA A 16 12.507 3.063 34.183 1.00 13.54 C

566 ATOM 111 N ASN A 17 9.540 2.270 33.467 1.00 13.74 N

567 ATOM 112 CA ASN A 17 8.618 1.316 32.879 1.00 16.29 C

568 ATOM 113 C ASN A 17 7.687 1.992 31.877 1.00 15.64 C

569 ATOM 114 O ASN A 17 7.348 1.411 30.849 1.00 16.45 O

570 ATOM 115 CB ASN A 17 7.796 0.629 33.971 1.00 18.98 C

571 ATOM 116 CG ASN A 17 6.901 -0.458 33.415 1.00 22.40 C

572 ATOM 117 OD1 ASN A 17 7.379 -1.429 32.829 1.00 23.71 O

573 ATOM 118 ND2 ASN A 17 5.592 -0.296 33.588 1.00 27.98 N

574 ATOM 119 N ALA A 18 7.271 3.218 32.170 1.00 15.34 N

575 ATOM 120 CA ALA A 18 6.382 3.936 31.258 1.00 16.75 C

576 ATOM 121 C ALA A 18 7.117 4.306 29.968 1.00 16.76 C

577 ATOM 122 O ALA A 18 6.545 4.245 28.872 1.00 17.33 O

578 ATOM 123 CB ALA A 18 5.835 5.189 31.937 1.00 15.57 C

579 ATOM 124 N LYS A 19 8.388 4.684 30.097 1.00 16.03 N

580 ATOM 125 CA LYS A 19 9.194 5.063 28.935 1.00 15.97 C

581 ATOM 126 C LYS A 19 9.464 3.837 28.059 1.00 13.97 C

582 ATOM 127 O LYS A 19 9.485 3.928 26.834 1.00 13.77 O

583 ATOM 128 CB LYS A 19 10.522 5.683 29.385 1.00 16.10 C

584 ATOM 129 CG LYS A 19 11.257 6.154 28.269 1.00 24.11 C

585 ATOM 130 N ALA A 20 9.663 2.686 28.689 1.00 12.05 N

586 ATOM 131 CA ALA A 20 9.916 1.465 27.927 1.00 11.72 C

587 ATOM 132 C ALA A 20 8.666 1.115 27.107 1.00 12.78 C

588 ATOM 133 O ALA A 20 8.779 0.643 25.966 1.00 12.59 O

589 ATOM 134 CB ALA A 20 10.291 0.319 28.872 1.00 11.16 C

590 ATOM 135 N ASP A 21 7.477 1.343 27.678 1.00 14.57 N

591 ATOM 136 CA ASP A 21 6.234 1.073 26.946 1.00 15.33 C

592 ATOM 137 C ASP A 21 6.196 1.948 25.699 1.00 16.54 C

593 ATOM 138 O ASP A 21 5.840 1.476 24.614 1.00 15.96 O

594 ATOM 139 CB ASP A 21 4.983 1.390 27.778 1.00 18.99 C

595 ATOM 140 CG ASP A 21 4.668 0.329 28.805 1.00 23.02 C

596 ATOM 141 OD1 ASP A 21 5.085 -0.833 28.615 1.00 24.96 O

597 ATOM 142 OD2 ASP A 21 3.980 0.662 29.797 1.00 24.05 O

598 ATOM 143 N GLN A 22 6.551 3.223 25.858 1.00 15.33 N

599 ATOM 144 CA GLN A 22 6.565 4.162 24.732 1.00 15.77 C

600 ATOM 145 C GLN A 22 7.504 3.660 23.632 1.00 14.95 C

601 ATOM 146 O GLN A 22 7.161 3.688 22.444 1.00 15.25 O

602 ATOM 147 CB GLN A 22 7.038 5.562 25.173 1.00 17.01 C

603 ATOM 148 CG GLN A 22 6.012 6.426 25.909 1.00 19.16 C

604 ATOM 149 CD GLN A 22 6.578 7.781 26.353 1.00 21.87 C

605 ATOM 150 OE1 GLN A 22 5.842 8.645 26.831 1.00 23.32 O

606 ATOM 151 NE2 GLN A 22 7.887 7.966 26.199 1.00 20.69 N

607 ATOM 152 N ALA A 23 8.698 3.224 24.029 1.00 13.41 N

608 ATOM 153 CA ALA A 23 9.684 2.731 23.075 1.00 12.28 C

609 ATOM 154 C ALA A 23 9.187 1.482 22.353 1.00 13.28 C

610 ATOM 155 O ALA A 23 9.429 1.326 21.159 1.00 12.83 O

611 ATOM 156 CB ALA A 23 11.012 2.452 23.782 1.00 11.71 C

612 ATOM 157 N SER A 24 8.496 0.599 23.075 1.00 12.70 N

613 ATOM 158 CA SER A 24 7.953 -0.622 22.483 1.00 14.77 C

614 ATOM 159 C SER A 24 6.972 -0.265 21.371 1.00 14.57 C

615 ATOM 160 O SER A 24 7.036 -0.814 20.269 1.00 15.34 O

616 ATOM 161 CB SER A 24 7.203 -1.459 23.533 1.00 16.03 C

617 ATOM 162 OG SER A 24 8.062 -1.877 24.575 1.00 20.33 O

618 ATOM 163 N ASN A 25 6.057 0.656 21.664 1.00 13.62 N

619 ATOM 164 CA ASN A 25 5.063 1.043 20.670 1.00 16.01 C

620 ATOM 165 C ASN A 25 5.690 1.660 19.429 1.00 13.81 C

621 ATOM 166 O ASN A 25 5.266 1.371 18.306 1.00 13.88 O

622 ATOM 167 CB ASN A 25 4.043 2.008 21.277 1.00 19.07 C

623 ATOM 168 CG ASN A 25 3.183 1.349 22.335 1.00 22.75 C

624 ATOM 169 OD1 ASN A 25 2.835 0.172 22.224 1.00 25.99 O

625 ATOM 170 ND2 ASN A 25 2.820 2.108 23.363 1.00 26.08 N

626 ATOM 171 N ASP A 26 6.713 2.488 19.628 1.00 13.65 N

627 ATOM 172 CA ASP A 26 7.387 3.120 18.504 1.00 13.00 C

628 ATOM 173 C ASP A 26 8.176 2.117 17.678 1.00 14.09 C

629 ATOM 174 O ASP A 26 8.197 2.213 16.454 1.00 14.25 O

630 ATOM 175 CB ASP A 26 8.303 4.229 18.992 1.00 14.99 C

631 ATOM 176 CG ASP A 26 7.546 5.469 19.382 1.00 16.14 C

632 ATOM 177 OD1 ASP A 26 8.098 6.233 20.190 1.00 18.44 O

633 ATOM 178 OD2 ASP A 26 6.414 5.693 18.881 1.00 16.06 O

634 ATOM 179 N ALA A 27 8.807 1.143 18.336 1.00 12.86 N

635 ATOM 180 CA ALA A 27 9.575 0.142 17.609 1.00 13.10 C

636 ATOM 181 C ALA A 27 8.649 -0.708 16.750 1.00 14.36 C

637 ATOM 182 O ALA A 27 8.987 -1.053 15.615 1.00 11.69 O

638 ATOM 183 CB ALA A 27 10.359 -0.737 18.577 1.00 13.17 C

639 ATOM 184 N ASN A 28 7.472 -1.032 17.289 1.00 13.41 N

640 ATOM 185 CA ASN A 28 6.496 -1.825 16.557 1.00 14.91 C

641 ATOM 186 C ASN A 28 6.004 -1.056 15.325 1.00 15.22 C

642 ATOM 187 O ASN A 28 5.875 -1.629 14.236 1.00 14.62 O

643 ATOM 188 CB ASN A 28 5.319 -2.187 17.476 1.00 17.55 C

644 ATOM 189 CG ASN A 28 4.196 -2.883 16.739 1.00 19.60 C

645 ATOM 190 OD1 ASN A 28 3.242 -2.242 16.289 1.00 24.13 O

646 ATOM 191 ND2 ASN A 28 4.310 -4.200 16.592 1.00 19.77 N

647 ATOM 192 N ALA A 29 5.735 0.238 15.494 1.00 13.76 N

648 ATOM 193 CA ALA A 29 5.277 1.077 14.382 1.00 13.55 C

649 ATOM 194 C ALA A 29 6.338 1.146 13.287 1.00 14.33 C

650 ATOM 195 O ALA A 29 6.016 1.100 12.099 1.00 12.42 O

651 ATOM 196 CB ALA A 29 4.951 2.478 14.877 1.00 14.46 C

652 ATOM 197 N ALA A 30 7.605 1.246 13.688 1.00 13.28 N

653 ATOM 198 CA ALA A 30 8.707 1.310 12.729 1.00 13.96 C

654 ATOM 199 C ALA A 30 8.841 0.021 11.927 1.00 12.91 C

655 ATOM 200 O ALA A 30 9.170 0.056 10.739 1.00 14.24 O

656 ATOM 201 CB ALA A 30 10.014 1.592 13.448 1.00 13.08 C

657 ATOM 202 N ARG A 31 8.611 -1.119 12.573 1.00 12.69 N

658 ATOM 203 CA ARG A 31 8.719 -2.397 11.870 1.00 12.31 C

659 ATOM 204 C ARG A 31 7.621 -2.527 10.819 1.00 13.06 C

660 ATOM 205 O ARG A 31 7.866 -3.015 9.711 1.00 13.77 O

661 ATOM 206 CB ARG A 31 8.649 -3.578 12.854 1.00 11.40 C

662 ATOM 207 CG ARG A 31 9.889 -3.710 13.742 1.00 14.17 C

663 ATOM 208 CD ARG A 31 10.026 -5.120 14.322 1.00 17.41 C

664 ATOM 209 NE ARG A 31 10.286 -6.111 13.277 1.00 19.86 N

665 ATOM 210 CZ ARG A 31 10.821 -7.312 13.492 1.00 20.42 C

666 ATOM 211 NH1 ARG A 31 11.160 -7.691 14.721 1.00 19.16 N

667 ATOM 212 NH2 ARG A 31 11.031 -8.131 12.469 1.00 21.03 N

668 ATOM 213 N SER A 32 6.420 -2.069 11.166 1.00 14.56 N

669 ATOM 214 CA SER A 32 5.276 -2.124 10.268 1.00 14.92 C

670 ATOM 215 C SER A 32 5.489 -1.231 9.055 1.00 15.18 C

671 ATOM 216 O SER A 32 5.213 -1.638 7.925 1.00 16.24 O

672 ATOM 217 CB SER A 32 4.001 -1.695 11.001 1.00 16.67 C

673 ATOM 218 OG SER A 32 2.882 -1.774 10.137 1.00 22.66 O

674 ATOM 219 N ASP A 33 5.971 -0.013 9.288 1.00 13.34 N

675 ATOM 220 CA ASP A 33 6.221 0.916 8.186 1.00 13.38 C

676 ATOM 221 C ASP A 33 7.370 0.419 7.310 1.00 13.11 C

677 ATOM 222 O ASP A 33 7.336 0.576 6.089 1.00 12.92 O

678 ATOM 223 CB ASP A 33 6.553 2.325 8.705 1.00 13.82 C

679 ATOM 224 CG ASP A 33 5.340 3.069 9.253 1.00 17.81 C

680 ATOM 225 OD1 ASP A 33 4.184 2.702 8.933 1.00 16.68 O

681 ATOM 226 OD2 ASP A 33 5.557 4.053 10.000 1.00 17.93 O

682 ATOM 227 N ALA A 34 8.395 -0.178 7.922 1.00 11.07 N

683 ATOM 228 CA ALA A 34 9.526 -0.682 7.142 1.00 11.48 C

684 ATOM 229 C ALA A 34 9.083 -1.834 6.241 1.00 12.28 C

685 ATOM 230 O ALA A 34 9.563 -1.974 5.109 1.00 12.42 O

686 ATOM 231 CB ALA A 34 10.651 -1.145 8.077 1.00 12.33 C

687 ATOM 232 N GLN A 35 8.180 -2.669 6.747 1.00 11.32 N

688 ATOM 233 CA GLN A 35 7.679 -3.798 5.968 1.00 12.99 C

689 ATOM 234 C GLN A 35 6.888 -3.271 4.774 1.00 14.25 C

690 ATOM 235 O GLN A 35 6.995 -3.787 3.656 1.00 14.06 O

691 ATOM 236 CB GLN A 35 6.770 -4.688 6.823 1.00 14.96 C

692 ATOM 237 CG GLN A 35 6.160 -5.857 6.048 1.00 20.69 C

693 ATOM 238 CD GLN A 35 7.214 -6.800 5.498 1.00 23.00 C

694 ATOM 239 OE1 GLN A 35 7.222 -7.121 4.306 1.00 24.42 O

695 ATOM 240 NE2 GLN A 35 8.110 -7.252 6.365 1.00 24.51 N

696 ATOM 241 N ALA A 36 6.078 -2.249 5.013 1.00 12.95 N

697 ATOM 242 CA ALA A 36 5.295 -1.672 3.925 1.00 13.99 C

698 ATOM 243 C ALA A 36 6.229 -1.089 2.871 1.00 13.10 C

699 ATOM 244 O ALA A 36 5.955 -1.188 1.675 1.00 13.38 O

700 ATOM 245 CB ALA A 36 4.353 -0.592 4.452 1.00 11.99 C

701 ATOM 246 N ALA A 37 7.333 -0.482 3.299 1.00 11.96 N

702 ATOM 247 CA ALA A 37 8.278 0.082 2.335 1.00 12.41 C

703 ATOM 248 C ALA A 37 8.924 -1.035 1.511 1.00 12.61 C

704 ATOM 249 O ALA A 37 9.150 -0.874 0.310 1.00 13.20 O

705 ATOM 250 CB ALA A 37 9.354 0.911 3.055 1.00 12.05 C

706 ATOM 251 N LYS A 38 9.216 -2.173 2.147 1.00 12.71 N

707 ATOM 252 CA LYS A 38 9.809 -3.301 1.421 1.00 14.45 C

708 ATOM 253 C LYS A 38 8.843 -3.802 0.362 1.00 14.48 C

709 ATOM 254 O LYS A 38 9.241 -4.095 -0.776 1.00 15.21 O

710 ATOM 255 CB LYS A 38 10.136 -4.459 2.371 1.00 16.48 C

711 ATOM 256 CG LYS A 38 11.410 -4.265 3.162 1.00 21.19 C

712 ATOM 257 CD LYS A 38 11.670 -5.434 4.108 1.00 25.80 C

713 ATOM 258 CE LYS A 38 11.718 -6.763 3.369 1.00 26.46 C

714 ATOM 259 NZ LYS A 38 11.865 -7.893 4.329 1.00 31.18 N

715 ATOM 260 N ASP A 39 7.571 -3.918 0.737 1.00 14.62 N

716 ATOM 261 CA ASP A 39 6.566 -4.400 -0.202 1.00 16.85 C

717 ATOM 262 C ASP A 39 6.415 -3.455 -1.402 1.00 15.81 C

718 ATOM 263 O ASP A 39 6.253 -3.915 -2.541 1.00 16.27 O

719 ATOM 264 CB ASP A 39 5.197 -4.577 0.481 1.00 18.06 C

720 ATOM 265 CG ASP A 39 5.204 -5.629 1.596 1.00 22.71 C

721 ATOM 266 OD1 ASP A 39 6.123 -6.474 1.651 1.00 23.73 O

722 ATOM 267 OD2 ASP A 39 4.263 -5.616 2.423 1.00 24.25 O

723 ATOM 268 N ASP A 40 6.467 -2.145 -1.163 1.00 13.66 N

724 ATOM 269 CA ASP A 40 6.314 -1.180 -2.255 1.00 13.08 C

725 ATOM 270 C ASP A 40 7.525 -1.178 -3.201 1.00 12.91 C

726 ATOM 271 O ASP A 40 7.370 -0.966 -4.413 1.00 12.22 O

727 ATOM 272 CB ASP A 40 6.071 0.235 -1.700 1.00 13.87 C

728 ATOM 273 CG ASP A 40 5.361 1.153 -2.700 1.00 14.03 C

729 ATOM 274 OD1 ASP A 40 5.700 2.353 -2.752 1.00 13.57 O

730 ATOM 275 OD2 ASP A 40 4.447 0.686 -3.424 1.00 15.41 O

731 ATOM 276 N ALA A 41 8.728 -1.402 -2.670 1.00 11.26 N

732 ATOM 277 CA ALA A 41 9.914 -1.446 -3.523 1.00 11.91 C

733 ATOM 278 C ALA A 41 9.822 -2.709 -4.388 1.00 12.30 C

734 ATOM 279 O ALA A 41 10.267 -2.722 -5.539 1.00 12.20 O

735 ATOM 280 CB ALA A 41 11.200 -1.483 -2.676 1.00 10.57 C

736 ATOM 281 N ALA A 42 9.249 -3.770 -3.820 1.00 12.39 N

737 ATOM 282 CA ALA A 42 9.089 -5.020 -4.553 1.00 13.39 C

738 ATOM 283 C ALA A 42 8.079 -4.804 -5.686 1.00 13.88 C

739 ATOM 284 O ALA A 42 8.217 -5.362 -6.783 1.00 13.34 O

740 ATOM 285 CB ALA A 42 8.601 -6.128 -3.599 1.00 13.92 C

741 ATOM 286 N ARG A 43 7.069 -3.980 -5.423 1.00 12.53 N

742 ATOM 287 CA ARG A 43 6.045 -3.685 -6.431 1.00 13.49 C

743 ATOM 288 C ARG A 43 6.694 -3.010 -7.645 1.00 14.39 C

744 ATOM 289 O ARG A 43 6.353 -3.306 -8.798 1.00 14.65 O

745 ATOM 290 CB ARG A 43 4.970 -2.767 -5.833 1.00 14.68 C

746 ATOM 291 CG ARG A 43 3.856 -2.355 -6.808 1.00 15.02 C

747 ATOM 292 CD ARG A 43 2.720 -1.619 -6.098 1.00 17.36 C

748 ATOM 293 NE ARG A 43 2.999 -0.212 -5.797 1.00 16.78 N

749 ATOM 294 CZ ARG A 43 2.815 0.793 -6.651 1.00 17.44 C

750 ATOM 295 NH1 ARG A 43 2.352 0.561 -7.876 1.00 19.72 N

751 ATOM 296 NH2 ARG A 43 3.083 2.042 -6.277 1.00 18.56 N

752 ATOM 297 N ALA A 44 7.634 -2.104 -7.384 1.00 13.74 N

753 ATOM 298 CA ALA A 44 8.333 -1.400 -8.459 1.00 14.13 C

754 ATOM 299 C ALA A 44 9.129 -2.371 -9.332 1.00 14.09 C

755 ATOM 300 O ALA A 44 9.087 -2.299 -10.562 1.00 16.32 O

756 ATOM 301 CB ALA A 44 9.267 -0.338 -7.870 1.00 13.24 C

757 ATOM 302 N ASN A 45 9.858 -3.281 -8.695 1.00 14.48 N

758 ATOM 303 CA ASN A 45 10.654 -4.242 -9.439 1.00 13.87 C

759 ATOM 304 C ASN A 45 9.782 -5.243 -10.202 1.00 14.40 C

760 ATOM 305 O ASN A 45 10.176 -5.732 -11.257 1.00 14.21 O

761 ATOM 306 CB ASN A 45 11.645 -4.939 -8.493 1.00 13.91 C

762 ATOM 307 CG ASN A 45 12.894 -4.099 -8.254 1.00 13.09 C

763 ATOM 308 OD1 ASN A 45 13.685 -3.897 -9.170 1.00 13.23 O

764 ATOM 309 ND2 ASN A 45 13.065 -3.587 -7.026 1.00 12.24 N

765 ATOM 310 N GLN A 46 8.595 -5.537 -9.685 1.00 14.48 N

766 ATOM 311 CA GLN A 46 7.695 -6.453 -10.393 1.00 17.48 C

767 ATOM 312 C GLN A 46 7.197 -5.755 -11.660 1.00 17.93 C

768 ATOM 313 O GLN A 46 7.103 -6.372 -12.729 1.00 19.11 O

769 ATOM 314 CB GLN A 46 6.507 -6.841 -9.505 1.00 17.63 C

770 ATOM 315 CG GLN A 46 5.605 -7.693 -10.201 1.00 27.50 C

771 ATOM 316 N ARG A 47 6.880 -4.467 -11.549 1.00 17.08 N

772 ATOM 317 CA ARG A 47 6.405 -3.710 -12.707 1.00 17.39 C

773 ATOM 318 C ARG A 47 7.482 -3.714 -13.806 1.00 18.34 C

774 ATOM 319 O ARG A 47 7.170 -3.834 -14.997 1.00 19.21 O

775 ATOM 320 CB ARG A 47 6.055 -2.276 -12.295 1.00 16.85 C

776 ATOM 321 CG ARG A 47 4.906 -2.181 -11.293 1.00 17.50 C

777 ATOM 322 CD ARG A 47 4.740 -0.760 -10.744 1.00 17.47 C

778 ATOM 323 NE ARG A 47 4.335 0.202 -11.771 1.00 20.47 N

779 ATOM 324 CZ ARG A 47 4.236 1.514 -11.569 1.00 22.58 C

780 ATOM 325 NH1 ARG A 47 4.520 2.030 -10.377 1.00 21.23 N

781 ATOM 326 NH2 ARG A 47 3.841 2.319 -12.555 1.00 22.99 N

782 ATOM 327 N LEU A 48 8.747 -3.596 -13.408 1.00 16.61 N

783 ATOM 328 CA LEU A 48 9.847 -3.607 -14.370 1.00 18.70 C

784 ATOM 329 C LEU A 48 10.024 -4.998 -14.991 1.00 20.95 C

785 ATOM 330 O LEU A 48 10.351 -5.113 -16.178 1.00 22.27 O

786 ATOM 331 CB LEU A 48 11.151 -3.147 -13.700 1.00 19.45 C

787 ATOM 332 CG LEU A 48 11.254 -1.631 -13.495 1.00 19.78 C

788 ATOM 333 CD1 LEU A 48 12.281 -1.298 -12.409 1.00 19.39 C

789 ATOM 334 CD2 LEU A 48 11.623 -0.969 -14.825 1.00 21.36 C

790 ATOM 335 N ASP A 49 9.810 -6.052 -14.202 1.00 21.05 N

791 ATOM 336 CA ASP A 49 9.936 -7.416 -14.730 1.00 22.75 C

792 ATOM 337 C ASP A 49 8.954 -7.595 -15.877 1.00 26.00 C

793 ATOM 338 O ASP A 49 9.199 -8.359 -16.811 1.00 27.20 O

794 ATOM 339 CB ASP A 49 9.621 -8.473 -13.661 1.00 20.50 C

795 ATOM 340 CG ASP A 49 10.718 -8.619 -12.626 1.00 19.95 C

796 ATOM 341 OD1 ASP A 49 11.860 -8.191 -12.888 1.00 19.60 O

797 ATOM 342 OD2 ASP A 49 10.432 -9.184 -11.545 1.00 20.22 O

798 ATOM 343 N ASN A 50 7.836 -6.885 -15.794 1.00 28.38 N

799 ATOM 344 CA ASN A 50 6.798 -6.954 -16.815 1.00 32.31 C

800 ATOM 345 C ASN A 50 6.893 -5.803 -17.820 1.00 33.58 C

801 ATOM 346 O ASN A 50 5.932 -5.063 -18.020 1.00 36.74 O

802 ATOM 347 CB ASN A 50 5.429 -6.949 -16.137 1.00 32.16 C

803 ATOM 348 CG ASN A 50 5.227 -8.152 -15.235 1.00 33.55 C

804 ATOM 349 OD1 ASN A 50 4.507 -8.085 -14.238 1.00 34.29 O

805 ATOM 350 ND2 ASN A 50 5.857 -9.268 -15.588 1.00 34.94 N

806 ATOM 351 N MET A 51 8.059 -5.656 -18.443 1.00 35.30 N

807 ATOM 352 CA MET A 51 8.289 -4.612 -19.440 1.00 36.08 C

808 ATOM 353 C MET A 51 9.241 -5.107 -20.525 1.00 35.80 C

809 ATOM 354 CB MET A 51 8.875 -3.355 -18.785 1.00 36.94 C

810 ATOM 355 CG MET A 51 7.855 -2.488 -18.061 1.00 38.46 C

811 ATOM 356 SD MET A 51 8.600 -1.043 -17.261 1.00 42.65 S

812 ATOM 357 CE MET A 51 8.952 -0.014 -18.679 1.00 39.10 C

813 TER 358 MET A 51

814 ATOM 359 N SER B 1 24.809 5.225 51.530 1.00 37.62 N

815 ATOM 360 CA SER B 1 23.909 4.484 52.447 1.00 36.57 C

816 ATOM 361 C SER B 1 24.510 3.183 52.933 1.00 36.01 C

817 ATOM 362 O SER B 1 25.185 2.437 52.220 1.00 33.06 O

818 ATOM 363 CB SER B 1 22.571 4.210 51.768 1.00 36.45 C

819 ATOM 364 OG SER B 1 21.984 2.983 52.189 1.00 36.35 O

820 ATOM 365 N SER B 2 24.258 2.858 54.183 1.00 35.68 N

821 ATOM 366 CA SER B 2 24.805 1.606 54.651 1.00 36.50 C

822 ATOM 367 C SER B 2 23.823 0.467 54.439 1.00 36.17 C

823 ATOM 368 O SER B 2 24.124 -0.716 54.709 1.00 37.32 O

824 ATOM 369 CB SER B 2 25.184 1.708 56.111 1.00 37.27 C

825 ATOM 370 OG SER B 2 25.831 0.491 56.455 1.00 39.46 O

826 ATOM 371 N ASN B 3 22.638 0.804 53.927 1.00 35.47 N

827 ATOM 372 CA ASN B 3 21.620 -0.177 53.649 1.00 33.80 C

828 ATOM 373 C ASN B 3 21.977 -0.761 52.315 1.00 33.13 C

829 ATOM 374 O ASN B 3 21.765 -0.139 51.281 1.00 31.64 O

830 ATOM 375 CB ASN B 3 20.240 0.482 53.587 1.00 34.56 C

831 ATOM 376 CG ASN B 3 19.104 -0.539 53.606 1.00 34.81 C

832 ATOM 377 OD1 ASN B 3 19.095 -1.488 52.824 1.00 34.96 O

833 ATOM 378 ND2 ASN B 3 18.150 -0.341 54.518 1.00 35.84 N

834 ATOM 379 N ALA B 4 22.529 -1.971 52.337 1.00 31.35 N

835 ATOM 380 CA ALA B 4 22.940 -2.650 51.120 1.00 30.46 C

836 ATOM 381 C ALA B 4 21.801 -2.872 50.140 1.00 30.25 C

837 ATOM 382 O ALA B 4 21.944 -2.617 48.938 1.00 28.85 O

838 ATOM 383 CB ALA B 4 23.596 -3.983 51.454 1.00 30.98 C

839 ATOM 384 N LYS B 5 20.659 -3.341 50.633 1.00 29.35 N

840 ATOM 385 CA LYS B 5 19.516 -3.581 49.768 1.00 27.45 C

841 ATOM 386 C LYS B 5 19.047 -2.313 49.045 1.00 27.04 C

842 ATOM 387 O LYS B 5 18.673 -2.366 47.874 1.00 25.66 O

843 ATOM 388 CB LYS B 5 18.374 -4.206 50.567 1.00 28.99 C

844 ATOM 389 CG LYS B 5 18.751 -5.561 51.160 1.00 29.65 C

845 ATOM 390 CD LYS B 5 17.615 -6.203 51.943 1.00 31.51 C

846 ATOM 391 CE LYS B 5 18.014 -7.593 52.422 1.00 32.10 C

847 ATOM 392 NZ LYS B 5 16.919 -8.250 53.190 1.00 32.89 N

848 ATOM 393 N ILE B 6 19.072 -1.174 49.730 1.00 26.31 N

849 ATOM 394 CA ILE B 6 18.654 0.075 49.106 1.00 27.23 C

850 ATOM 395 C ILE B 6 19.610 0.438 47.971 1.00 26.57 C

851 ATOM 396 O ILE B 6 19.186 0.935 46.923 1.00 24.98 O

852 ATOM 397 CB ILE B 6 18.601 1.222 50.133 1.00 28.76 C

853 ATOM 398 CG1 ILE B 6 17.460 0.965 51.123 1.00 29.04 C

854 ATOM 399 CG2 ILE B 6 18.395 2.562 49.436 1.00 28.27 C

855 ATOM 400 CD1 ILE B 6 16.097 0.831 50.469 1.00 29.85 C

856 ATOM 401 N ASP B 7 20.900 0.180 48.172 1.00 25.83 N

857 ATOM 402 CA ASP B 7 21.891 0.486 47.140 1.00 25.44 C

858 ATOM 403 C ASP B 7 21.676 -0.337 45.881 1.00 24.07 C

859 ATOM 404 O ASP B 7 21.831 0.170 44.772 1.00 22.89 O

860 ATOM 405 CB ASP B 7 23.313 0.231 47.638 1.00 27.57 C

861 ATOM 406 CG ASP B 7 23.724 1.187 48.721 1.00 30.62 C

862 ATOM 407 OD1 ASP B 7 23.313 2.366 48.662 1.00 30.93 O

863 ATOM 408 OD2 ASP B 7 24.474 0.763 49.628 1.00 34.49 O

864 ATOM 409 N GLN B 8 21.349 -1.615 46.059 1.00 24.44 N

865 ATOM 410 CA GLN B 8 21.114 -2.500 44.921 1.00 24.75 C

866 ATOM 411 C GLN B 8 19.894 -2.001 44.153 1.00 22.82 C

867 ATOM 412 O GLN B 8 19.868 -2.042 42.922 1.00 22.99 O

868 ATOM 413 CB GLN B 8 20.882 -3.937 45.389 1.00 27.05 C

869 ATOM 414 CG GLN B 8 20.591 -4.918 44.260 1.00 30.25 C

870 ATOM 415 CD GLN B 8 21.755 -5.091 43.295 1.00 33.62 C

871 ATOM 416 OE1 GLN B 8 21.636 -5.781 42.283 1.00 37.71 O

872 ATOM 417 NE2 GLN B 8 22.887 -4.471 43.607 1.00 35.68 N

873 ATOM 418 N LEU B 9 18.887 -1.537 44.888 1.00 21.98 N

874 ATOM 419 CA LEU B 9 17.671 -1.007 44.270 1.00 21.61 C

875 ATOM 420 C LEU B 9 18.003 0.249 43.464 1.00 20.82 C

876 ATOM 421 O LEU B 9 17.482 0.450 42.363 1.00 18.28 O

877 ATOM 422 CB LEU B 9 16.632 -0.654 45.341 1.00 22.45 C

878 ATOM 423 CG LEU B 9 16.082 -1.796 46.200 1.00 24.91 C

879 ATOM 424 CD1 LEU B 9 15.242 -1.240 47.341 1.00 26.69 C

880 ATOM 425 CD2 LEU B 9 15.260 -2.726 45.325 1.00 26.04 C

881 ATOM 426 N SER B 10 18.858 1.103 44.019 1.00 18.87 N

882 ATOM 427 CA SER B 10 19.246 2.331 43.336 1.00 19.06 C

883 ATOM 428 C SER B 10 19.965 1.987 42.025 1.00 18.52 C

884 ATOM 429 O SER B 10 19.736 2.620 40.989 1.00 15.85 O

885 ATOM 430 CB SER B 10 20.155 3.176 44.244 1.00 21.80 C

886 ATOM 431 OG SER B 10 20.370 4.469 43.699 1.00 23.87 O

887 ATOM 432 N SER B 11 20.820 0.967 42.067 1.00 18.02 N

888 ATOM 433 CA SER B 11 21.555 0.553 40.876 1.00 18.49 C

889 ATOM 434 C SER B 11 20.612 -0.004 39.811 1.00 17.39 C

890 ATOM 435 O SER B 11 20.727 0.327 38.632 1.00 16.64 O

891 ATOM 436 CB SER B 11 22.597 -0.509 41.230 1.00 20.10 C

892 ATOM 437 OG SER B 11 23.336 -0.885 40.077 1.00 25.73 O

893 ATOM 438 N ASP B 12 19.675 -0.845 40.233 1.00 17.19 N

894 ATOM 439 CA ASP B 12 18.725 -1.427 39.294 1.00 16.86 C

895 ATOM 440 C ASP B 12 17.848 -0.345 38.659 1.00 16.99 C

896 ATOM 441 O ASP B 12 17.574 -0.404 37.464 1.00 16.58 O

897 ATOM 442 CB ASP B 12 17.830 -2.469 39.983 1.00 20.58 C

898 ATOM 443 CG ASP B 12 18.615 -3.647 40.557 1.00 22.99 C

899 ATOM 444 OD1 ASP B 12 19.645 -4.047 39.969 1.00 24.21 O

900 ATOM 445 OD2 ASP B 12 18.178 -4.190 41.592 1.00 26.39 O

901 ATOM 446 N ALA B 13 17.407 0.629 39.455 1.00 16.09 N

902 ATOM 447 CA ALA B 13 16.561 1.711 38.942 1.00 16.78 C

903 ATOM 448 C ALA B 13 17.323 2.566 37.934 1.00 16.82 C

904 ATOM 449 O ALA B 13 16.782 2.957 36.895 1.00 14.92 O

905 ATOM 450 CB ALA B 13 16.052 2.591 40.094 1.00 18.39 C

906 ATOM 451 N GLN B 14 18.582 2.861 38.241 1.00 17.13 N

907 ATOM 452 CA GLN B 14 19.397 3.671 37.348 1.00 17.93 C

908 ATOM 453 C GLN B 14 19.628 2.962 36.021 1.00 17.92 C

909 ATOM 454 O GLN B 14 19.541 3.573 34.954 1.00 18.47 O

910 ATOM 455 CB GLN B 14 20.743 3.982 38.004 1.00 19.67 C

911 ATOM 456 CG GLN B 14 20.540 4.666 39.223 1.00 25.54 C

912 ATOM 457 N THR B 15 19.911 1.669 36.082 1.00 17.05 N

913 ATOM 458 CA THR B 15 20.164 0.915 34.867 1.00 15.86 C

914 ATOM 459 C THR B 15 18.896 0.846 34.022 1.00 15.17 C

915 ATOM 460 O THR B 15 18.949 1.001 32.800 1.00 14.99 O

916 ATOM 461 CB THR B 15 20.677 -0.496 35.198 1.00 18.84 C

917 ATOM 462 OG1 THR B 15 21.945 -0.389 35.876 1.00 20.00 O

918 ATOM 463 CG2 THR B 15 20.849 -1.311 33.934 1.00 19.17 C

919 ATOM 464 N ALA B 16 17.756 0.637 34.675 1.00 14.35 N

920 ATOM 465 CA ALA B 16 16.481 0.555 33.958 1.00 14.12 C

921 ATOM 466 C ALA B 16 16.170 1.868 33.247 1.00 13.69 C

922 ATOM 467 O ALA B 16 15.757 1.872 32.081 1.00 14.78 O

923 ATOM 468 CB ALA B 16 15.356 0.206 34.925 1.00 14.03 C

924 ATOM 469 N ASN B 17 16.360 2.984 33.932 1.00 13.14 N

925 ATOM 470 CA ASN B 17 16.080 4.273 33.296 1.00 15.92 C

926 ATOM 471 C ASN B 17 17.006 4.551 32.131 1.00 14.40 C

927 ATOM 472 O ASN B 17 16.576 5.068 31.094 1.00 13.47 O

928 ATOM 473 CB ASN B 17 16.182 5.406 34.310 1.00 18.28 C

929 ATOM 474 CG ASN B 17 14.857 5.700 34.967 1.00 20.38 C

930 ATOM 475 OD1 ASN B 17 13.933 6.204 34.321 1.00 23.58 O

931 ATOM 476 ND2 ASN B 17 14.743 5.372 36.247 1.00 20.48 N

932 ATOM 477 N ALA B 18 18.279 4.210 32.302 1.00 14.70 N

933 ATOM 478 CA ALA B 18 19.261 4.435 31.249 1.00 15.28 C

934 ATOM 479 C ALA B 18 18.923 3.607 30.014 1.00 15.31 C

935 ATOM 480 O ALA B 18 19.035 4.089 28.884 1.00 17.26 O

936 ATOM 481 CB ALA B 18 20.661 4.088 31.758 1.00 17.84 C

937 ATOM 482 N LYS B 19 18.519 2.360 30.221 1.00 15.02 N

938 ATOM 483 CA LYS B 19 18.161 1.493 29.104 1.00 16.03 C

939 ATOM 484 C LYS B 19 16.882 1.965 28.417 1.00 13.81 C

940 ATOM 485 O LYS B 19 16.781 1.929 27.186 1.00 13.17 O

941 ATOM 486 CB LYS B 19 17.987 0.051 29.579 1.00 18.44 C

942 ATOM 487 CG LYS B 19 19.283 -0.680 29.864 1.00 22.33 C

943 ATOM 488 CD LYS B 19 18.996 -2.153 30.103 1.00 23.38 C

944 ATOM 489 CE LYS B 19 20.192 -3.007 29.757 1.00 23.82 C

945 ATOM 490 NZ LYS B 19 19.796 -4.430 29.612 1.00 24.02 N

946 ATOM 491 N ALA B 20 15.903 2.394 29.207 1.00 12.94 N

947 ATOM 492 CA ALA B 20 14.648 2.888 28.638 1.00 12.74 C

948 ATOM 493 C ALA B 20 14.910 4.136 27.781 1.00 13.71 C

949 ATOM 494 O ALA B 20 14.302 4.296 26.714 1.00 13.76 O

950 ATOM 495 CB ALA B 20 13.648 3.210 29.758 1.00 12.87 C

951 ATOM 496 N ASP B 21 15.805 5.021 28.233 1.00 12.42 N

952 ATOM 497 CA ASP B 21 16.120 6.228 27.459 1.00 15.42 C

953 ATOM 498 C ASP B 21 16.823 5.840 26.163 1.00 16.20 C

954 ATOM 499 O ASP B 21 16.601 6.444 25.116 1.00 17.70 O

955 ATOM 500 CB ASP B 21 17.037 7.185 28.228 1.00 17.70 C

956 ATOM 501 CG ASP B 21 16.345 7.874 29.390 1.00 20.59 C

957 ATOM 502 OD1 ASP B 21 15.114 8.091 29.343 1.00 22.86 O

958 ATOM 503 OD2 ASP B 21 17.055 8.227 30.354 1.00 23.42 O

959 ATOM 504 N GLN B 22 17.687 4.835 26.249 1.00 16.83 N

960 ATOM 505 CA GLN B 22 18.431 4.340 25.089 1.00 18.45 C

961 ATOM 506 C GLN B 22 17.462 3.752 24.059 1.00 17.82 C

962 ATOM 507 O GLN B 22 17.568 4.024 22.857 1.00 15.69 O

963 ATOM 508 CB GLN B 22 19.440 3.273 25.548 1.00 21.46 C

964 ATOM 509 CG GLN B 22 19.751 2.163 24.539 1.00 28.70 C

965 ATOM 510 CD GLN B 22 20.401 0.944 25.203 1.00 31.25 C

966 ATOM 511 OE1 GLN B 22 20.545 -0.112 24.589 1.00 35.17 O

967 ATOM 512 NE2 GLN B 22 20.794 1.095 26.467 1.00 35.31 N

968 ATOM 513 N ALA B 23 16.513 2.953 24.536 1.00 15.72 N

969 ATOM 514 CA ALA B 23 15.530 2.330 23.658 1.00 15.26 C

970 ATOM 515 C ALA B 23 14.569 3.355 23.062 1.00 15.02 C

971 ATOM 516 O ALA B 23 14.117 3.202 21.923 1.00 13.86 O

972 ATOM 517 CB ALA B 23 14.749 1.271 24.418 1.00 15.95 C

973 ATOM 518 N SER B 24 14.258 4.391 23.832 1.00 14.05 N

974 ATOM 519 CA SER B 24 13.358 5.436 23.362 1.00 15.69 C

975 ATOM 520 C SER B 24 14.014 6.167 22.189 1.00 15.52 C

976 ATOM 521 O SER B 24 13.364 6.484 21.190 1.00 15.20 O

977 ATOM 522 CB SER B 24 13.057 6.413 24.502 1.00 16.97 C

978 ATOM 523 OG SER B 24 12.332 7.534 24.023 1.00 22.40 O

979 ATOM 524 N ASN B 25 15.310 6.424 22.305 1.00 16.19 N

980 ATOM 525 CA ASN B 25 16.033 7.105 21.231 1.00 17.24 C

981 ATOM 526 C ASN B 25 16.133 6.217 19.992 1.00 16.02 C

982 ATOM 527 O ASN B 25 15.937 6.687 18.864 1.00 15.16 O

983 ATOM 528 CB ASN B 25 17.429 7.515 21.708 1.00 21.84 C

984 ATOM 529 CG ASN B 25 17.376 8.541 22.815 1.00 26.69 C

985 ATOM 530 OD1 ASN B 25 16.622 9.515 22.736 1.00 28.68 O

986 ATOM 531 ND2 ASN B 25 18.177 8.336 23.857 1.00 31.64 N

987 ATOM 532 N ASP B 26 16.426 4.937 20.201 1.00 14.92 N

988 ATOM 533 CA ASP B 26 16.527 3.975 19.101 1.00 13.54 C

989 ATOM 534 C ASP B 26 15.242 3.885 18.316 1.00 13.04 C

990 ATOM 535 O ASP B 26 15.262 3.891 17.093 1.00 11.25 O

991 ATOM 536 CB ASP B 26 16.822 2.561 19.607 1.00 15.96 C

992 ATOM 537 CG ASP B 26 18.253 2.377 19.978 1.00 19.04 C

993 ATOM 538 OD1 ASP B 26 19.042 3.195 19.487 1.00 18.95 O

994 ATOM 539 OD2 ASP B 26 18.580 1.428 20.732 1.00 21.03 O

995 ATOM 540 N ALA B 27 14.133 3.764 19.042 1.00 11.63 N

996 ATOM 541 CA ALA B 27 12.813 3.630 18.424 1.00 10.48 C

997 ATOM 542 C ALA B 27 12.409 4.874 17.654 1.00 11.53 C

998 ATOM 543 O ALA B 27 11.822 4.784 16.568 1.00 10.67 O

999 ATOM 544 CB ALA B 27 11.770 3.310 19.490 1.00 10.97 C

1000 ATOM 545 N ASN B 28 12.718 6.036 18.215 1.00 11.10 N

1001 ATOM 546 CA ASN B 28 12.385 7.292 17.558 1.00 11.35 C

1002 ATOM 547 C ASN B 28 13.144 7.418 16.242 1.00 11.20 C

1003 ATOM 548 O ASN B 28 12.556 7.780 15.217 1.00 11.00 O

1004 ATOM 549 CB ASN B 28 12.710 8.467 18.481 1.00 13.73 C

1005 ATOM 550 CG ASN B 28 12.545 9.803 17.797 1.00 18.27 C

1006 ATOM 551 OD1 ASN B 28 13.518 10.392 17.324 1.00 21.97 O

1007 ATOM 552 ND2 ASN B 28 11.306 10.286 17.729 1.00 16.39 N

1008 ATOM 553 N ALA B 29 14.441 7.123 16.265 1.00 11.24 N

1009 ATOM 554 CA ALA B 29 15.254 7.198 15.048 1.00 12.84 C

1010 ATOM 555 C ALA B 29 14.810 6.163 14.006 1.00 13.14 C

1011 ATOM 556 O ALA B 29 14.812 6.443 12.795 1.00 13.09 O

1012 ATOM 557 CB ALA B 29 16.749 7.001 15.390 1.00 13.04 C

1013 ATOM 558 N ALA B 30 14.438 4.972 14.464 1.00 11.25 N

1014 ATOM 559 CA ALA B 30 13.991 3.918 13.555 1.00 10.47 C

1015 ATOM 560 C ALA B 30 12.650 4.255 12.883 1.00 10.51 C

1016 ATOM 561 O ALA B 30 12.438 3.910 11.718 1.00 11.28 O

1017 ATOM 562 CB ALA B 30 13.896 2.571 14.300 1.00 10.85 C

1018 ATOM 563 N ARG B 31 11.741 4.922 13.591 1.00 8.95 N

1019 ATOM 564 CA ARG B 31 10.471 5.287 12.959 1.00 10.41 C

1020 ATOM 565 C ARG B 31 10.749 6.287 11.842 1.00 11.71 C

1021 ATOM 566 O ARG B 31 10.167 6.202 10.762 1.00 12.78 O

1022 ATOM 567 CB ARG B 31 9.492 5.930 13.953 1.00 13.79 C

1023 ATOM 568 CG ARG B 31 8.739 4.944 14.835 1.00 15.29 C

1024 ATOM 569 CD ARG B 31 7.569 5.619 15.566 1.00 18.03 C

1025 ATOM 570 NE ARG B 31 6.444 5.927 14.672 1.00 18.99 N

1026 ATOM 571 CZ ARG B 31 5.213 6.209 15.094 1.00 20.10 C

1027 ATOM 572 NH1 ARG B 31 4.946 6.219 16.394 1.00 19.38 N

1028 ATOM 573 NH2 ARG B 31 4.243 6.469 14.221 1.00 21.08 N

1029 ATOM 574 N SER B 32 11.642 7.235 12.101 1.00 11.40 N

1030 ATOM 575 CA SER B 32 11.975 8.248 11.100 1.00 12.62 C

1031 ATOM 576 C SER B 32 12.649 7.607 9.887 1.00 13.24 C

1032 ATOM 577 O SER B 32 12.349 7.954 8.743 1.00 13.81 O

1033 ATOM 578 CB SER B 32 12.899 9.315 11.699 1.00 14.31 C

1034 ATOM 579 OG SER B 32 13.126 10.371 10.770 1.00 13.86 O

1035 ATOM 580 N ASP B 33 13.557 6.674 10.146 1.00 12.18 N

1036 ATOM 581 CA ASP B 33 14.277 5.972 9.089 1.00 13.39 C

1037 ATOM 582 C ASP B 33 13.303 5.176 8.209 1.00 12.74 C

1038 ATOM 583 O ASP B 33 13.477 5.096 6.992 1.00 13.35 O

1039 ATOM 584 CB ASP B 33 15.305 5.022 9.718 1.00 16.65 C

1040 ATOM 585 CG ASP B 33 16.126 4.281 8.683 1.00 19.49 C

1041 ATOM 586 OD1 ASP B 33 16.866 4.945 7.918 1.00 19.68 O

1042 ATOM 587 OD2 ASP B 33 16.027 3.034 8.641 1.00 21.28 O

1043 ATOM 588 N ALA B 34 12.284 4.587 8.833 1.00 12.44 N

1044 ATOM 589 CA ALA B 34 11.289 3.804 8.103 1.00 14.15 C

1045 ATOM 590 C ALA B 34 10.472 4.702 7.171 1.00 14.67 C

1046 ATOM 591 O ALA B 34 10.069 4.282 6.084 1.00 13.86 O

1047 ATOM 592 CB ALA B 34 10.374 3.092 9.079 1.00 12.32 C

1048 ATOM 593 N GLN B 35 10.214 5.934 7.601 1.00 13.53 N

1049 ATOM 594 CA GLN B 35 9.468 6.880 6.767 1.00 15.04 C

1050 ATOM 595 C GLN B 35 10.303 7.230 5.541 1.00 14.88 C

1051 ATOM 596 O GLN B 35 9.779 7.365 4.432 1.00 14.53 O

1052 ATOM 597 CB GLN B 35 9.153 8.155 7.548 1.00 17.62 C

1053 ATOM 598 CG GLN B 35 7.978 8.027 8.485 1.00 22.18 C

1054 ATOM 599 CD GLN B 35 6.671 7.817 7.739 1.00 23.40 C

1055 ATOM 600 OE1 GLN B 35 6.312 8.608 6.864 1.00 26.69 O

1056 ATOM 601 NE2 GLN B 35 5.955 6.757 8.081 1.00 25.28 N

1057 ATOM 602 N ALA B 36 11.611 7.383 5.742 1.00 12.96 N

1058 ATOM 603 CA ALA B 36 12.500 7.697 4.626 1.00 12.21 C

1059 ATOM 604 C ALA B 36 12.483 6.538 3.624 1.00 12.13 C

1060 ATOM 605 O ALA B 36 12.513 6.750 2.405 1.00 13.17 O

1061 ATOM 606 CB ALA B 36 13.922 7.942 5.134 1.00 14.53 C

1062 ATOM 607 N ALA B 37 12.441 5.308 4.128 1.00 10.89 N

1063 ATOM 608 CA ALA B 37 12.409 4.152 3.231 1.00 10.30 C

1064 ATOM 609 C ALA B 37 11.084 4.123 2.468 1.00 10.74 C

1065 ATOM 610 O ALA B 37 11.063 3.788 1.287 1.00 12.16 O

1066 ATOM 611 CB ALA B 37 12.595 2.861 4.016 1.00 9.67 C

1067 ATOM 612 N LYS B 38 9.985 4.459 3.141 1.00 12.22 N

1068 ATOM 613 CA LYS B 38 8.676 4.491 2.474 1.00 13.52 C

1069 ATOM 614 C LYS B 38 8.702 5.537 1.352 1.00 15.06 C

1070 ATOM 615 O LYS B 38 8.163 5.317 0.256 1.00 13.71 O

1071 ATOM 616 CB LYS B 38 7.557 4.837 3.475 1.00 16.07 C

1072 ATOM 617 CG LYS B 38 7.109 3.672 4.354 1.00 19.48 C

1073 ATOM 618 CD LYS B 38 6.097 4.117 5.416 1.00 23.18 C

1074 ATOM 619 CE LYS B 38 4.799 4.616 4.796 1.00 24.34 C

1075 ATOM 620 NZ LYS B 38 4.066 3.507 4.125 1.00 27.85 N

1076 ATOM 621 N ASP B 39 9.336 6.676 1.620 1.00 13.39 N

1077 ATOM 622 CA ASP B 39 9.411 7.732 0.614 1.00 15.17 C

1078 ATOM 623 C ASP B 39 10.272 7.288 -0.572 1.00 14.47 C

1079 ATOM 624 O ASP B 39 9.953 7.595 -1.726 1.00 14.04 O

1080 ATOM 625 CB ASP B 39 9.958 9.038 1.228 1.00 16.14 C

1081 ATOM 626 CG ASP B 39 8.993 9.672 2.230 1.00 21.03 C

1082 ATOM 627 OD1 ASP B 39 7.772 9.409 2.140 1.00 23.53 O

1083 ATOM 628 OD2 ASP B 39 9.445 10.446 3.108 1.00 23.15 O

1084 ATOM 629 N ASP B 40 11.357 6.561 -0.303 1.00 13.25 N

1085 ATOM 630 CA ASP B 40 12.220 6.083 -1.384 1.00 14.17 C

1086 ATOM 631 C ASP B 40 11.473 5.105 -2.298 1.00 13.81 C

1087 ATOM 632 O ASP B 40 11.564 5.212 -3.524 1.00 12.91 O

1088 ATOM 633 CB ASP B 40 13.478 5.403 -0.824 1.00 17.25 C

1089 ATOM 634 CG ASP B 40 14.469 6.398 -0.208 1.00 22.28 C

1090 ATOM 635 OD1 ASP B 40 15.450 5.948 0.433 1.00 24.14 O

1091 ATOM 636 OD2 ASP B 40 14.281 7.621 -0.364 1.00 22.33 O

1092 ATOM 637 N ALA B 41 10.747 4.152 -1.711 1.00 12.45 N

1093 ATOM 638 CA ALA B 41 9.997 3.178 -2.508 1.00 12.75 C

1094 ATOM 639 C ALA B 41 8.916 3.888 -3.322 1.00 14.61 C

1095 ATOM 640 O ALA B 41 8.690 3.559 -4.489 1.00 12.75 O

1096 ATOM 641 CB ALA B 41 9.363 2.120 -1.604 1.00 15.28 C

1097 ATOM 642 N ALA B 42 8.255 4.867 -2.704 1.00 14.04 N

1098 ATOM 643 CA ALA B 42 7.194 5.623 -3.376 1.00 15.43 C

1099 ATOM 644 C ALA B 42 7.738 6.396 -4.569 1.00 16.35 C

1100 ATOM 645 O ALA B 42 7.085 6.484 -5.621 1.00 17.40 O

1101 ATOM 646 CB ALA B 42 6.534 6.595 -2.387 1.00 15.42 C

1102 ATOM 647 N ARG B 43 8.935 6.953 -4.409 1.00 15.51 N

1103 ATOM 648 CA ARG B 43 9.565 7.729 -5.471 1.00 16.07 C

1104 ATOM 649 C ARG B 43 9.952 6.830 -6.654 1.00 16.13 C

1105 ATOM 650 O ARG B 43 9.873 7.255 -7.810 1.00 15.03 O

1106 ATOM 651 CB ARG B 43 10.793 8.476 -4.920 1.00 16.22 C

1107 ATOM 652 CG ARG B 43 11.113 9.771 -5.657 1.00 21.33 C

1108 ATOM 653 CD ARG B 43 12.209 10.589 -4.968 1.00 22.96 C

1109 ATOM 654 NE ARG B 43 11.867 10.946 -3.592 1.00 24.48 N

1110 ATOM 655 CZ ARG B 43 12.402 10.373 -2.515 1.00 25.05 C

1111 ATOM 656 NH1 ARG B 43 13.308 9.415 -2.652 1.00 26.67 N

1112 ATOM 657 NH2 ARG B 43 12.033 10.758 -1.299 1.00 26.05 N

1113 ATOM 658 N ALA B 44 10.355 5.590 -6.375 1.00 15.10 N

1114 ATOM 659 CA ALA B 44 10.719 4.665 -7.454 1.00 15.08 C

1115 ATOM 660 C ALA B 44 9.478 4.365 -8.294 1.00 15.80 C

1116 ATOM 661 O ALA B 44 9.555 4.331 -9.519 1.00 15.41 O

1117 ATOM 662 CB ALA B 44 11.302 3.371 -6.889 1.00 16.65 C

1118 ATOM 663 N ASN B 45 8.338 4.143 -7.638 1.00 14.11 N

1119 ATOM 664 CA ASN B 45 7.103 3.886 -8.376 1.00 16.40 C

1120 ATOM 665 C ASN B 45 6.663 5.161 -9.119 1.00 16.28 C

1121 ATOM 666 O ASN B 45 6.115 5.080 -10.224 1.00 17.09 O

1122 ATOM 667 CB ASN B 45 6.005 3.380 -7.428 1.00 14.74 C

1123 ATOM 668 CG ASN B 45 6.162 1.891 -7.097 1.00 15.69 C

1124 ATOM 669 OD1 ASN B 45 5.965 1.031 -7.958 1.00 13.28 O

1125 ATOM 670 ND2 ASN B 45 6.531 1.587 -5.852 1.00 13.49 N

1126 ATOM 671 N GLN B 46 6.917 6.332 -8.529 1.00 15.41 N

1127 ATOM 672 CA GLN B 46 6.558 7.600 -9.171 1.00 19.10 C

1128 ATOM 673 C GLN B 46 7.284 7.748 -10.507 1.00 18.63 C

1129 ATOM 674 O GLN B 46 6.695 8.210 -11.488 1.00 21.11 O

1130 ATOM 675 CB GLN B 46 6.900 8.790 -8.260 1.00 20.26 C

1131 ATOM 676 CG GLN B 46 6.522 10.023 -8.857 1.00 29.74 C

1132 ATOM 677 N ARG B 47 8.561 7.370 -10.550 1.00 17.16 N

1133 ATOM 678 CA ARG B 47 9.334 7.453 -11.792 1.00 18.44 C

1134 ATOM 679 C ARG B 47 8.713 6.543 -12.858 1.00 19.97 C

1135 ATOM 680 O ARG B 47 8.694 6.878 -14.048 1.00 20.03 O

1136 ATOM 681 CB ARG B 47 10.795 7.049 -11.559 1.00 19.03 C

1137 ATOM 682 CG ARG B 47 11.643 8.080 -10.798 1.00 22.17 C

1138 ATOM 683 CD ARG B 47 13.136 7.723 -10.856 1.00 22.20 C

1139 ATOM 684 NE ARG B 47 13.646 7.786 -12.227 1.00 22.89 N

1140 ATOM 685 CZ ARG B 47 14.845 7.358 -12.619 1.00 23.29 C

1141 ATOM 686 NH1 ARG B 47 15.692 6.824 -11.749 1.00 24.32 N

1142 ATOM 687 NH2 ARG B 47 15.203 7.468 -13.890 1.00 25.06 N

1143 ATOM 688 N LEU B 48 8.213 5.388 -12.431 1.00 19.57 N

1144 ATOM 689 CA LEU B 48 7.576 4.449 -13.354 1.00 21.60 C

1145 ATOM 690 C LEU B 48 6.223 5.001 -13.815 1.00 22.52 C

1146 ATOM 691 O LEU B 48 5.811 4.783 -14.957 1.00 22.52 O

1147 ATOM 692 CB LEU B 48 7.369 3.089 -12.676 1.00 21.78 C

1148 ATOM 693 CG LEU B 48 8.629 2.311 -12.294 1.00 22.20 C

1149 ATOM 694 CD1 LEU B 48 8.252 1.042 -11.519 1.00 20.72 C

1150 ATOM 695 CD2 LEU B 48 9.403 1.957 -13.550 1.00 24.18 C

1151 ATOM 696 N ASP B 49 5.541 5.718 -12.924 1.00 23.57 N

1152 ATOM 697 CA ASP B 49 4.236 6.299 -13.231 1.00 25.55 C

1153 ATOM 698 C ASP B 49 4.310 7.429 -14.246 1.00 28.11 C

1154 ATOM 699 O ASP B 49 3.459 7.537 -15.127 1.00 28.14 O

1155 ATOM 700 CB ASP B 49 3.574 6.879 -11.973 1.00 23.94 C

1156 ATOM 701 CG ASP B 49 3.082 5.819 -11.011 1.00 24.85 C

1157 ATOM 702 OD1 ASP B 49 3.065 4.621 -11.375 1.00 24.55 O

1158 ATOM 703 OD2 ASP B 49 2.697 6.201 -9.885 1.00 22.65 O

1159 ATOM 704 N ASN B 50 5.323 8.277 -14.109 1.00 30.10 N

1160 ATOM 705 CA ASN B 50 5.458 9.438 -14.978 1.00 32.68 C

1161 ATOM 706 C ASN B 50 6.232 9.261 -16.277 1.00 34.89 C

1162 ATOM 707 O ASN B 50 6.356 10.212 -17.051 1.00 34.82 O

1163 ATOM 708 CB ASN B 50 6.062 10.601 -14.185 1.00 34.87 C

1164 ATOM 709 CG ASN B 50 5.305 10.887 -12.901 1.00 34.86 C

1165 ATOM 710 OD1 ASN B 50 4.075 10.885 -12.878 1.00 37.00 O

1166 ATOM 711 ND2 ASN B 50 6.040 11.147 -11.825 1.00 38.02 N

1167 ATOM 712 N MET B 51 6.747 8.064 -16.533 1.00 36.21 N

1168 ATOM 713 CA MET B 51 7.499 7.842 -17.764 1.00 38.66 C

1169 ATOM 714 C MET B 51 6.571 7.731 -18.971 1.00 38.84 C

1170 ATOM 715 O MET B 51 5.494 7.143 -18.886 1.00 39.80 O

1171 ATOM 716 CB MET B 51 8.366 6.581 -17.649 1.00 39.77 C

1172 ATOM 717 CG MET B 51 7.591 5.277 -17.531 1.00 42.14 C

1173 ATOM 718 SD MET B 51 8.698 3.844 -17.391 1.00 46.27 S

1174 ATOM 719 CE MET B 51 9.002 3.471 -19.124 1.00 43.33 C

1175 ATOM 720 N ALA B 52 6.990 8.311 -20.092 1.00 39.62 N

1176 ATOM 721 CA ALA B 52 6.197 8.275 -21.316 1.00 39.70 C

1177 ATOM 722 C ALA B 52 6.601 7.088 -22.184 1.00 40.02 C

1178 ATOM 723 CB ALA B 52 6.376 9.574 -22.093 1.00 39.58 C

1179 TER 724 ALA B 52

1180 ATOM 725 N SER C 1 11.466 -8.477 50.421 1.00 17.41 N

1181 ATOM 726 CA SER C 1 11.288 -7.352 51.381 1.00 16.21 C

1182 ATOM 727 C SER C 1 9.944 -7.360 52.122 1.00 14.97 C

1183 ATOM 728 O SER C 1 8.921 -7.811 51.612 1.00 15.22 O

1184 ATOM 729 CB SER C 1 11.443 -6.021 50.637 1.00 16.62 C

1185 ATOM 730 OG SER C 1 11.270 -4.928 51.522 1.00 15.05 O

1186 ATOM 731 N SER C 2 9.945 -6.848 53.339 1.00 14.17 N

1187 ATOM 732 CA SER C 2 8.719 -6.784 54.111 1.00 15.62 C

1188 ATOM 733 C SER C 2 7.910 -5.565 53.655 1.00 14.71 C

1189 ATOM 734 O SER C 2 6.750 -5.419 54.005 1.00 14.56 O

1190 ATOM 735 CB SER C 2 9.051 -6.660 55.599 1.00 16.30 C

1191 ATOM 736 OG SER C 2 9.837 -5.506 55.837 1.00 17.85 O

1192 ATOM 737 N ASN C 3 8.543 -4.713 52.848 1.00 14.61 N

1193 ATOM 738 CA ASN C 3 7.950 -3.469 52.339 1.00 14.25 C

1194 ATOM 739 C ASN C 3 7.308 -3.651 50.949 1.00 13.77 C

1195 ATOM 740 O ASN C 3 8.008 -3.842 49.957 1.00 12.93 O

1196 ATOM 741 CB ASN C 3 9.063 -2.405 52.302 1.00 14.15 C

1197 ATOM 742 CG ASN C 3 8.558 -0.999 51.994 1.00 15.73 C

1198 ATOM 743 OD1 ASN C 3 9.032 -0.020 52.581 1.00 17.54 O

1199 ATOM 744 ND2 ASN C 3 7.626 -0.887 51.072 1.00 14.33 N

1200 ATOM 745 N ALA C 4 5.981 -3.562 50.876 1.00 14.25 N

1201 ATOM 746 CA ALA C 4 5.268 -3.741 49.601 1.00 14.17 C

1202 ATOM 747 C ALA C 4 5.700 -2.796 48.477 1.00 15.24 C

1203 ATOM 748 O ALA C 4 5.715 -3.182 47.305 1.00 15.37 O

1204 ATOM 749 CB ALA C 4 3.758 -3.618 49.818 1.00 13.11 C

1205 ATOM 750 N LYS C 5 6.025 -1.556 48.834 1.00 15.78 N

1206 ATOM 751 CA LYS C 5 6.455 -0.556 47.860 1.00 16.74 C

1207 ATOM 752 C LYS C 5 7.828 -0.912 47.279 1.00 13.82 C

1208 ATOM 753 O LYS C 5 8.097 -0.669 46.102 1.00 13.47 O

1209 ATOM 754 CB LYS C 5 6.497 0.821 48.532 1.00 17.74 C

1210 ATOM 755 CG LYS C 5 6.750 1.979 47.592 1.00 21.64 C

1211 ATOM 756 CD LYS C 5 6.486 3.298 48.303 1.00 23.77 C

1212 ATOM 757 CE LYS C 5 6.288 4.426 47.313 1.00 25.99 C

1213 ATOM 758 NZ LYS C 5 5.723 5.622 47.993 1.00 25.91 N

1214 ATOM 759 N ILE C 6 8.700 -1.480 48.108 1.00 13.57 N

1215 ATOM 760 CA ILE C 6 10.017 -1.883 47.636 1.00 13.93 C

1216 ATOM 761 C ILE C 6 9.882 -3.053 46.654 1.00 12.36 C

1217 ATOM 762 O ILE C 6 10.540 -3.089 45.610 1.00 12.33 O

1218 ATOM 763 CB ILE C 6 10.938 -2.270 48.813 1.00 14.89 C

1219 ATOM 764 CG1 ILE C 6 11.372 -0.995 49.544 1.00 17.83 C

1220 ATOM 765 CG2 ILE C 6 12.146 -3.049 48.309 1.00 15.11 C

1221 ATOM 766 CD1 ILE C 6 12.284 -1.235 50.728 1.00 17.56 C

1222 ATOM 767 N ASP C 7 9.022 -4.014 46.967 1.00 11.43 N

1223 ATOM 768 CA ASP C 7 8.847 -5.121 46.037 1.00 12.66 C

1224 ATOM 769 C ASP C 7 8.270 -4.638 44.713 1.00 13.19 C

1225 ATOM 770 O ASP C 7 8.636 -5.146 43.647 1.00 14.05 O

1226 ATOM 771 CB ASP C 7 7.934 -6.183 46.623 1.00 13.78 C

1227 ATOM 772 CG ASP C 7 8.634 -7.055 47.619 1.00 14.98 C

1228 ATOM 773 OD1 ASP C 7 9.887 -7.104 47.626 1.00 15.26 O

1229 ATOM 774 OD2 ASP C 7 7.912 -7.711 48.390 1.00 16.95 O

1230 ATOM 775 N GLN C 8 7.371 -3.659 44.769 1.00 11.97 N

1231 ATOM 776 CA GLN C 8 6.761 -3.146 43.544 1.00 14.77 C

1232 ATOM 777 C GLN C 8 7.762 -2.406 42.668 1.00 14.31 C

1233 ATOM 778 O GLN C 8 7.749 -2.557 41.437 1.00 14.29 O

1234 ATOM 779 CB GLN C 8 5.584 -2.218 43.867 1.00 15.22 C

1235 ATOM 780 CG GLN C 8 5.030 -1.477 42.639 1.00 20.03 C

1236 ATOM 781 CD GLN C 8 3.808 -0.635 42.952 1.00 25.81 C

1237 ATOM 782 OE1 GLN C 8 2.671 -1.116 42.872 1.00 31.25 O

1238 ATOM 783 NE2 GLN C 8 4.029 0.620 43.318 1.00 28.42 N

1239 ATOM 784 N LEU C 9 8.635 -1.610 43.284 1.00 14.26 N

1240 ATOM 785 CA LEU C 9 9.603 -0.857 42.492 1.00 14.87 C

1241 ATOM 786 C LEU C 9 10.645 -1.803 41.904 1.00 16.26 C

1242 ATOM 787 O LEU C 9 11.182 -1.563 40.814 1.00 15.04 O

1243 ATOM 788 CB LEU C 9 10.257 0.243 43.348 1.00 16.65 C

1244 ATOM 789 CG LEU C 9 11.340 -0.095 44.369 1.00 17.64 C

1245 ATOM 790 CD1 LEU C 9 12.703 -0.192 43.674 1.00 20.24 C

1246 ATOM 791 CD2 LEU C 9 11.382 1.009 45.421 1.00 19.61 C

1247 ATOM 792 N SER C 10 10.928 -2.896 42.609 1.00 14.87 N

1248 ATOM 793 CA SER C 10 11.890 -3.844 42.087 1.00 16.84 C

1249 ATOM 794 C SER C 10 11.259 -4.521 40.866 1.00 15.60 C

1250 ATOM 795 O SER C 10 11.923 -4.741 39.853 1.00 15.62 O

1251 ATOM 796 CB SER C 10 12.264 -4.879 43.150 1.00 17.92 C

1252 ATOM 797 OG SER C 10 13.262 -5.748 42.646 1.00 22.01 O

1253 ATOM 798 N SER C 11 9.970 -4.830 40.958 1.00 15.97 N

1254 ATOM 799 CA SER C 11 9.272 -5.463 39.847 1.00 17.85 C

1255 ATOM 800 C SER C 11 9.257 -4.547 38.622 1.00 17.13 C

1256 ATOM 801 O SER C 11 9.469 -4.999 37.493 1.00 15.82 O

1257 ATOM 802 CB SER C 11 7.833 -5.800 40.239 1.00 19.21 C

1258 ATOM 803 OG SER C 11 7.116 -6.243 39.098 1.00 26.65 O

1259 ATOM 804 N ASP C 12 9.008 -3.261 38.861 1.00 15.39 N

1260 ATOM 805 CA ASP C 12 8.948 -2.259 37.797 1.00 15.67 C

1261 ATOM 806 C ASP C 12 10.283 -2.094 37.087 1.00 15.50 C

1262 ATOM 807 O ASP C 12 10.332 -1.958 35.862 1.00 15.17 O

1263 ATOM 808 CB ASP C 12 8.518 -0.898 38.362 1.00 17.98 C

1264 ATOM 809 CG ASP C 12 7.035 -0.843 38.720 1.00 22.97 C

1265 ATOM 810 OD1 ASP C 12 6.626 0.126 39.405 1.00 22.94 O

1266 ATOM 811 OD2 ASP C 12 6.276 -1.750 38.314 1.00 24.21 O

1267 ATOM 812 N ALA C 13 11.368 -2.086 37.853 1.00 13.99 N

1268 ATOM 813 CA ALA C 13 12.687 -1.930 37.254 1.00 14.67 C

1269 ATOM 814 C ALA C 13 13.017 -3.129 36.369 1.00 14.43 C

1270 ATOM 815 O ALA C 13 13.534 -2.970 35.264 1.00 15.60 O

1271 ATOM 816 CB ALA C 13 13.747 -1.765 38.348 1.00 15.72 C

1272 ATOM 817 N GLN C 14 12.719 -4.333 36.854 1.00 14.95 N

1273 ATOM 818 CA GLN C 14 12.998 -5.537 36.087 1.00 15.53 C

1274 ATOM 819 C GLN C 14 12.157 -5.566 34.818 1.00 15.69 C

1275 ATOM 820 O GLN C 14 12.657 -5.888 33.738 1.00 15.37 O

1276 ATOM 821 CB GLN C 14 12.707 -6.791 36.917 1.00 17.83 C

1277 ATOM 822 CG GLN C 14 13.644 -6.943 37.973 1.00 26.23 C

1278 ATOM 823 N THR C 15 10.874 -5.245 34.947 1.00 14.39 N

1279 ATOM 824 CA THR C 15 9.992 -5.258 33.783 1.00 16.11 C

1280 ATOM 825 C THR C 15 10.430 -4.207 32.757 1.00 15.94 C

1281 ATOM 826 O THR C 15 10.391 -4.461 31.548 1.00 15.23 O

1282 ATOM 827 CB THR C 15 8.520 -5.019 34.191 1.00 17.02 C

1283 ATOM 828 OG1 THR C 15 8.098 -6.053 35.095 1.00 17.29 O

1284 ATOM 829 CG2 THR C 15 7.614 -5.044 32.962 1.00 18.56 C

1285 ATOM 830 N ALA C 16 10.861 -3.041 33.238 1.00 13.63 N

1286 ATOM 831 CA ALA C 16 11.314 -1.966 32.350 1.00 13.45 C

1287 ATOM 832 C ALA C 16 12.577 -2.356 31.578 1.00 13.28 C

1288 ATOM 833 O ALA C 16 12.676 -2.110 30.381 1.00 14.48 O

1289 ATOM 834 CB ALA C 16 11.563 -0.682 33.163 1.00 11.88 C

1290 ATOM 835 N ASN C 17 13.539 -2.971 32.267 1.00 13.77 N

1291 ATOM 836 CA ASN C 17 14.801 -3.403 31.648 1.00 15.58 C

1292 ATOM 837 C ASN C 17 14.507 -4.391 30.508 1.00 16.36 C

1293 ATOM 838 O ASN C 17 14.985 -4.222 29.377 1.00 15.55 O

1294 ATOM 839 CB ASN C 17 15.695 -4.057 32.730 1.00 19.12 C

1295 ATOM 840 CG ASN C 17 17.148 -4.284 32.275 1.00 22.38 C

1296 ATOM 841 OD1 ASN C 17 17.409 -4.994 31.309 1.00 25.21 O

1297 ATOM 842 ND2 ASN C 17 18.097 -3.695 33.005 1.00 26.43 N

1298 ATOM 843 N ALA C 18 13.698 -5.410 30.790 1.00 15.53 N

1299 ATOM 844 CA ALA C 18 13.370 -6.404 29.768 1.00 16.47 C

1300 ATOM 845 C ALA C 18 12.670 -5.789 28.553 1.00 16.36 C

1301 ATOM 846 O ALA C 18 12.999 -6.118 27.404 1.00 16.22 O

1302 ATOM 847 CB ALA C 18 12.500 -7.517 30.372 1.00 17.68 C

1303 ATOM 848 N LYS C 19 11.706 -4.905 28.798 1.00 14.82 N

1304 ATOM 849 CA LYS C 19 10.973 -4.270 27.700 1.00 16.03 C

1305 ATOM 850 C LYS C 19 11.882 -3.396 26.849 1.00 15.30 C

1306 ATOM 851 O LYS C 19 11.737 -3.347 25.621 1.00 14.96 O

1307 ATOM 852 CB LYS C 19 9.835 -3.401 28.233 1.00 16.68 C

1308 ATOM 853 CG LYS C 19 8.687 -4.143 28.880 1.00 20.84 C

1309 ATOM 854 CD LYS C 19 7.643 -3.140 29.344 1.00 23.25 C

1310 ATOM 855 CE LYS C 19 6.426 -3.810 29.942 1.00 25.83 C

1311 ATOM 856 NZ LYS C 19 5.535 -2.793 30.555 1.00 24.01 N

1312 ATOM 857 N ALA C 20 12.803 -2.687 27.501 1.00 13.87 N

1313 ATOM 858 CA ALA C 20 13.725 -1.813 26.777 1.00 13.65 C

1314 ATOM 859 C ALA C 20 14.605 -2.631 25.837 1.00 13.50 C

1315 ATOM 860 O ALA C 20 14.845 -2.231 24.693 1.00 13.32 O

1316 ATOM 861 CB ALA C 20 14.582 -1.019 27.755 1.00 12.74 C

1317 ATOM 862 N ASP C 21 15.101 -3.767 26.325 1.00 14.67 N

1318 ATOM 863 CA ASP C 21 15.929 -4.656 25.518 1.00 16.70 C

1319 ATOM 864 C ASP C 21 15.154 -5.112 24.283 1.00 16.72 C

1320 ATOM 865 O ASP C 21 15.679 -5.113 23.166 1.00 17.01 O

1321 ATOM 866 CB ASP C 21 16.331 -5.898 26.325 1.00 20.22 C

1322 ATOM 867 CG ASP C 21 17.506 -5.652 27.255 1.00 22.08 C

1323 ATOM 868 OD1 ASP C 21 17.712 -6.496 28.156 1.00 25.88 O

1324 ATOM 869 OD2 ASP C 21 18.229 -4.644 27.092 1.00 22.52 O

1325 ATOM 870 N GLN C 22 13.904 -5.510 24.490 1.00 16.48 N

1326 ATOM 871 CA GLN C 22 13.067 -5.974 23.391 1.00 16.57 C

1327 ATOM 872 C GLN C 22 12.809 -4.852 22.378 1.00 16.27 C

1328 ATOM 873 O GLN C 22 12.870 -5.069 21.164 1.00 14.84 O

1329 ATOM 874 CB GLN C 22 11.739 -6.507 23.930 1.00 16.64 C

1330 ATOM 875 CG GLN C 22 10.978 -7.110 22.888 1.00 23.92 C

1331 ATOM 876 N ALA C 23 12.522 -3.657 22.883 1.00 14.47 N

1332 ATOM 877 CA ALA C 23 12.262 -2.504 22.020 1.00 14.25 C

1333 ATOM 878 C ALA C 23 13.476 -2.139 21.161 1.00 14.29 C

1334 ATOM 879 O ALA C 23 13.336 -1.796 19.983 1.00 16.10 O

1335 ATOM 880 CB ALA C 23 11.823 -1.301 22.875 1.00 11.50 C

1336 ATOM 881 N SER C 24 14.673 -2.207 21.737 1.00 14.61 N

1337 ATOM 882 CA SER C 24 15.874 -1.886 20.972 1.00 15.03 C

1338 ATOM 883 C SER C 24 16.090 -2.949 19.901 1.00 16.15 C

1339 ATOM 884 O SER C 24 16.480 -2.634 18.774 1.00 16.37 O

1340 ATOM 885 CB SER C 24 17.098 -1.800 21.889 1.00 17.65 C

1341 ATOM 886 OG SER C 24 17.085 -0.605 22.658 1.00 19.68 O

1342 ATOM 887 N ASN C 25 15.835 -4.209 20.249 1.00 16.21 N

1343 ATOM 888 CA ASN C 25 15.995 -5.295 19.286 1.00 16.43 C

1344 ATOM 889 C ASN C 25 15.096 -5.043 18.082 1.00 16.07 C

1345 ATOM 890 O ASN C 25 15.533 -5.171 16.934 1.00 16.70 O

1346 ATOM 891 CB ASN C 25 15.623 -6.648 19.905 1.00 18.36 C

1347 ATOM 892 CG ASN C 25 16.664 -7.150 20.881 1.00 22.35 C

1348 ATOM 893 OD1 ASN C 25 17.835 -6.790 20.797 1.00 23.21 O

1349 ATOM 894 ND2 ASN C 25 16.242 -8.008 21.805 1.00 27.28 N

1350 ATOM 895 N ASP C 26 13.843 -4.687 18.354 1.00 13.37 N

1351 ATOM 896 CA ASP C 26 12.875 -4.409 17.293 1.00 13.48 C

1352 ATOM 897 C ASP C 26 13.234 -3.183 16.470 1.00 13.86 C

1353 ATOM 898 O ASP C 26 12.956 -3.140 15.270 1.00 13.94 O

1354 ATOM 899 CB ASP C 26 11.487 -4.226 17.882 1.00 14.13 C

1355 ATOM 900 CG ASP C 26 10.810 -5.536 18.181 1.00 16.34 C

1356 ATOM 901 OD1 ASP C 26 9.910 -5.517 19.039 1.00 18.59 O

1357 ATOM 902 OD2 ASP C 26 11.157 -6.573 17.560 1.00 17.25 O

1358 ATOM 903 N ALA C 27 13.832 -2.181 17.110 1.00 12.95 N

1359 ATOM 904 CA ALA C 27 14.228 -0.972 16.391 1.00 12.27 C

1360 ATOM 905 C ALA C 27 15.325 -1.343 15.393 1.00 14.24 C

1361 ATOM 906 O ALA C 27 15.286 -0.926 14.238 1.00 12.27 O

1362 ATOM 907 CB ALA C 27 14.727 0.106 17.371 1.00 13.97 C

1363 ATOM 908 N ASN C 28 16.296 -2.140 15.836 1.00 13.33 N

1364 ATOM 909 CA ASN C 28 17.367 -2.566 14.936 1.00 15.55 C

1365 ATOM 910 C ASN C 28 16.817 -3.431 13.794 1.00 15.79 C

1366 ATOM 911 O ASN C 28 17.306 -3.351 12.662 1.00 16.15 O

1367 ATOM 912 CB ASN C 28 18.444 -3.321 15.720 1.00 17.45 C

1368 ATOM 913 CG ASN C 28 19.326 -2.390 16.533 1.00 21.66 C

1369 ATOM 914 OD1 ASN C 28 19.919 -2.797 17.535 1.00 24.59 O

1370 ATOM 915 ND2 ASN C 28 19.425 -1.136 16.099 1.00 21.39 N

1371 ATOM 916 N ALA C 29 15.800 -4.246 14.071 1.00 14.19 N

1372 ATOM 917 CA ALA C 29 15.215 -5.076 13.018 1.00 13.61 C

1373 ATOM 918 C ALA C 29 14.560 -4.166 11.976 1.00 14.30 C

1374 ATOM 919 O ALA C 29 14.709 -4.377 10.768 1.00 13.14 O

1375 ATOM 920 CB ALA C 29 14.170 -6.039 13.600 1.00 13.87 C

1376 ATOM 921 N ALA C 30 13.839 -3.151 12.452 1.00 12.73 N

1377 ATOM 922 CA ALA C 30 13.166 -2.209 11.559 1.00 15.17 C

1378 ATOM 923 C ALA C 30 14.184 -1.505 10.673 1.00 15.65 C

1379 ATOM 924 O ALA C 30 13.957 -1.313 9.473 1.00 16.52 O

1380 ATOM 925 CB ALA C 30 12.367 -1.181 12.373 1.00 13.52 C

1381 ATOM 926 N ARG C 31 15.314 -1.125 11.256 1.00 16.43 N

1382 ATOM 927 CA ARG C 31 16.347 -0.453 10.482 1.00 18.24 C

1383 ATOM 928 C ARG C 31 16.904 -1.366 9.400 1.00 17.56 C

1384 ATOM 929 O ARG C 31 17.283 -0.904 8.323 1.00 17.45 O

1385 ATOM 930 CB ARG C 31 17.475 0.016 11.393 1.00 19.33 C

1386 ATOM 931 CG ARG C 31 17.168 1.302 12.123 1.00 23.94 C

1387 ATOM 932 CD ARG C 31 18.369 1.713 12.946 1.00 25.25 C

1388 ATOM 933 NE ARG C 31 18.351 3.127 13.303 1.00 28.33 N

1389 ATOM 934 CZ ARG C 31 18.560 4.126 12.452 1.00 26.62 C

1390 ATOM 935 NH1 ARG C 31 18.806 3.879 11.173 1.00 29.53 N

1391 ATOM 936 NH2 ARG C 31 18.530 5.373 12.885 1.00 26.10 N

1392 ATOM 937 N SER C 32 16.953 -2.663 9.684 1.00 17.09 N

1393 ATOM 938 CA SER C 32 17.460 -3.630 8.714 1.00 18.49 C

1394 ATOM 939 C SER C 32 16.480 -3.750 7.533 1.00 18.90 C

1395 ATOM 940 O SER C 32 16.893 -3.795 6.361 1.00 18.18 O

1396 ATOM 941 CB SER C 32 17.651 -4.995 9.391 1.00 19.75 C

1397 ATOM 942 OG SER C 32 18.327 -5.903 8.534 1.00 22.62 O

1398 ATOM 943 N ASP C 33 15.186 -3.799 7.834 1.00 19.08 N

1399 ATOM 944 CA ASP C 33 14.176 -3.897 6.776 1.00 19.49 C

1400 ATOM 945 C ASP C 33 14.106 -2.589 5.998 1.00 19.22 C

1401 ATOM 946 O ASP C 33 13.869 -2.587 4.788 1.00 18.59 O

1402 ATOM 947 CB ASP C 33 12.800 -4.221 7.355 1.00 22.61 C

1403 ATOM 948 CG ASP C 33 12.633 -5.694 7.670 1.00 26.32 C

1404 ATOM 949 OD1 ASP C 33 13.372 -6.510 7.082 1.00 26.91 O

1405 ATOM 950 OD2 ASP C 33 11.754 -6.038 8.488 1.00 29.29 O

1406 ATOM 951 N ALA C 34 14.327 -1.478 6.694 1.00 16.99 N

1407 ATOM 952 CA ALA C 34 14.300 -0.168 6.050 1.00 16.24 C

1408 ATOM 953 C ALA C 34 15.429 -0.103 5.023 1.00 15.95 C

1409 ATOM 954 O ALA C 34 15.257 0.436 3.922 1.00 15.16 O

1410 ATOM 955 CB ALA C 34 14.467 0.932 7.084 1.00 15.70 C

1411 ATOM 956 N GLN C 35 16.586 -0.655 5.386 1.00 16.21 N

1412 ATOM 957 CA GLN C 35 17.732 -0.678 4.481 1.00 17.90 C

1413 ATOM 958 C GLN C 35 17.435 -1.586 3.292 1.00 17.12 C

1414 ATOM 959 O GLN C 35 17.797 -1.276 2.155 1.00 15.74 O

1415 ATOM 960 CB GLN C 35 18.992 -1.184 5.200 1.00 20.03 C

1416 ATOM 961 CG GLN C 35 20.251 -1.101 4.333 1.00 23.37 C

1417 ATOM 962 CD GLN C 35 20.584 0.324 3.929 1.00 25.42 C

1418 ATOM 963 OE1 GLN C 35 20.985 1.141 4.761 1.00 28.55 O

1419 ATOM 964 NE2 GLN C 35 20.409 0.636 2.645 1.00 28.11 N

1420 ATOM 965 N ALA C 36 16.778 -2.711 3.554 1.00 16.61 N

1421 ATOM 966 CA ALA C 36 16.420 -3.642 2.491 1.00 16.42 C

1422 ATOM 967 C ALA C 36 15.510 -2.918 1.492 1.00 15.52 C

1423 ATOM 968 O ALA C 36 15.667 -3.055 0.277 1.00 15.51 O

1424 ATOM 969 CB ALA C 36 15.707 -4.856 3.076 1.00 18.35 C

1425 ATOM 970 N ALA C 37 14.557 -2.149 2.011 1.00 15.61 N

1426 ATOM 971 CA ALA C 37 13.635 -1.397 1.159 1.00 13.54 C

1427 ATOM 972 C ALA C 37 14.381 -0.361 0.309 1.00 14.22 C

1428 ATOM 973 O ALA C 37 14.124 -0.225 -0.891 1.00 14.17 O

1429 ATOM 974 CB ALA C 37 12.576 -0.702 2.021 1.00 14.75 C

1430 ATOM 975 N LYS C 38 15.298 0.375 0.931 1.00 12.58 N

1431 ATOM 976 CA LYS C 38 16.064 1.391 0.216 1.00 13.87 C

1432 ATOM 977 C LYS C 38 16.914 0.760 -0.881 1.00 13.74 C

1433 ATOM 978 O LYS C 38 16.996 1.294 -1.989 1.00 14.11 O

1434 ATOM 979 CB LYS C 38 16.978 2.167 1.175 1.00 14.69 C

1435 ATOM 980 CG LYS C 38 16.263 3.032 2.197 1.00 16.47 C

1436 ATOM 981 CD LYS C 38 17.286 3.617 3.160 1.00 17.53 C

1437 ATOM 982 CE LYS C 38 16.644 4.226 4.388 1.00 20.65 C

1438 ATOM 983 NZ LYS C 38 17.679 4.648 5.380 1.00 20.23 N

1439 ATOM 984 N ASP C 39 17.543 -0.374 -0.575 1.00 14.25 N

1440 ATOM 985 CA ASP C 39 18.390 -1.056 -1.556 1.00 15.47 C

1441 ATOM 986 C ASP C 39 17.567 -1.544 -2.742 1.00 14.75 C

1442 ATOM 987 O ASP C 39 17.998 -1.427 -3.899 1.00 15.35 O

1443 ATOM 988 CB ASP C 39 19.108 -2.258 -0.919 1.00 17.54 C

1444 ATOM 989 CG ASP C 39 20.229 -1.854 0.027 1.00 21.35 C

1445 ATOM 990 OD1 ASP C 39 20.794 -2.758 0.687 1.00 23.81 O

1446 ATOM 991 OD2 ASP C 39 20.555 -0.655 0.109 1.00 23.00 O

1447 ATOM 992 N ASP C 40 16.375 -2.070 -2.472 1.00 13.08 N

1448 ATOM 993 CA ASP C 40 15.538 -2.570 -3.559 1.00 13.46 C

1449 ATOM 994 C ASP C 40 14.967 -1.429 -4.394 1.00 13.06 C

1450 ATOM 995 O ASP C 40 14.785 -1.577 -5.610 1.00 11.47 O

1451 ATOM 996 CB ASP C 40 14.403 -3.451 -3.023 1.00 12.70 C

1452 ATOM 997 CG ASP C 40 14.008 -4.563 -4.009 1.00 16.94 C

1453 ATOM 998 OD1 ASP C 40 12.803 -4.880 -4.091 1.00 14.73 O

1454 ATOM 999 OD2 ASP C 40 14.907 -5.129 -4.690 1.00 15.59 O

1455 ATOM 1000 N ALA C 41 14.690 -0.288 -3.761 1.00 11.45 N

1456 ATOM 1001 CA ALA C 41 14.180 0.848 -4.516 1.00 12.03 C

1457 ATOM 1002 C ALA C 41 15.299 1.390 -5.417 1.00 11.28 C

1458 ATOM 1003 O ALA C 41 15.042 1.820 -6.542 1.00 13.64 O

1459 ATOM 1004 CB ALA C 41 13.667 1.948 -3.570 1.00 11.36 C

1460 ATOM 1005 N ALA C 42 16.540 1.367 -4.927 1.00 12.59 N

1461 ATOM 1006 CA ALA C 42 17.674 1.836 -5.721 1.00 11.99 C

1462 ATOM 1007 C ALA C 42 17.874 0.891 -6.903 1.00 12.60 C

1463 ATOM 1008 O ALA C 42 18.243 1.322 -7.999 1.00 13.26 O

1464 ATOM 1009 CB ALA C 42 18.946 1.891 -4.867 1.00 12.59 C

1465 ATOM 1010 N ARG C 43 17.627 -0.398 -6.678 1.00 12.69 N

1466 ATOM 1011 CA ARG C 43 17.759 -1.386 -7.746 1.00 13.23 C

1467 ATOM 1012 C ARG C 43 16.775 -1.042 -8.867 1.00 13.36 C

1468 ATOM 1013 O ARG C 43 17.122 -1.074 -10.049 1.00 12.92 O

1469 ATOM 1014 CB ARG C 43 17.477 -2.804 -7.209 1.00 14.06 C

1470 ATOM 1015 CG ARG C 43 17.672 -3.914 -8.249 1.00 15.16 C

1471 ATOM 1016 CD ARG C 43 17.661 -5.308 -7.624 1.00 16.94 C

1472 ATOM 1017 NE ARG C 43 16.336 -5.778 -7.222 1.00 17.10 N

1473 ATOM 1018 CZ ARG C 43 15.506 -6.477 -7.998 1.00 16.27 C

1474 ATOM 1019 NH1 ARG C 43 15.851 -6.815 -9.237 1.00 18.19 N

1475 ATOM 1020 NH2 ARG C 43 14.338 -6.882 -7.517 1.00 17.34 N

1476 ATOM 1021 N ALA C 44 15.545 -0.701 -8.499 1.00 13.96 N

1477 ATOM 1022 CA ALA C 44 14.544 -0.352 -9.507 1.00 13.75 C

1478 ATOM 1023 C ALA C 44 14.980 0.883 -10.300 1.00 13.87 C

1479 ATOM 1024 O ALA C 44 14.912 0.885 -11.531 1.00 14.37 O

1480 ATOM 1025 CB ALA C 44 13.188 -0.110 -8.854 1.00 14.34 C

1481 ATOM 1026 N ASN C 45 15.445 1.926 -9.610 1.00 13.94 N

1482 ATOM 1027 CA ASN C 45 15.879 3.141 -10.304 1.00 15.52 C

1483 ATOM 1028 C ASN C 45 17.058 2.873 -11.245 1.00 15.50 C

1484 ATOM 1029 O ASN C 45 17.160 3.480 -12.317 1.00 17.30 O

1485 ATOM 1030 CB ASN C 45 16.254 4.242 -9.299 1.00 17.31 C

1486 ATOM 1031 CG ASN C 45 15.038 4.851 -8.625 1.00 21.14 C

1487 ATOM 1032 OD1 ASN C 45 14.028 5.118 -9.279 1.00 25.80 O

1488 ATOM 1033 ND2 ASN C 45 15.130 5.088 -7.320 1.00 21.56 N

1489 ATOM 1034 N GLN C 46 17.944 1.965 -10.842 1.00 15.90 N

1490 ATOM 1035 CA GLN C 46 19.102 1.615 -11.660 1.00 15.83 C

1491 ATOM 1036 C GLN C 46 18.668 0.842 -12.910 1.00 15.85 C

1492 ATOM 1037 O GLN C 46 19.211 1.058 -13.996 1.00 16.45 O

1493 ATOM 1038 CB GLN C 46 20.108 0.802 -10.837 1.00 18.35 C

1494 ATOM 1039 CG GLN C 46 21.361 0.395 -11.606 1.00 23.23 C

1495 ATOM 1040 CD GLN C 46 22.506 -0.006 -10.692 1.00 28.08 C

1496 ATOM 1041 OE1 GLN C 46 23.179 0.848 -10.105 1.00 30.72 O

1497 ATOM 1042 NE2 GLN C 46 22.726 -1.310 -10.555 1.00 28.75 N

1498 ATOM 1043 N ARG C 47 17.689 -0.049 -12.765 1.00 15.04 N

1499 ATOM 1044 CA ARG C 47 17.182 -0.805 -13.914 1.00 15.88 C

1500 ATOM 1045 C ARG C 47 16.523 0.153 -14.910 1.00 17.65 C

1501 ATOM 1046 O ARG C 47 16.665 -0.005 -16.127 1.00 18.79 O

1502 ATOM 1047 CB ARG C 47 16.163 -1.857 -13.461 1.00 15.79 C

1503 ATOM 1048 CG ARG C 47 16.753 -2.950 -12.586 1.00 16.45 C

1504 ATOM 1049 CD ARG C 47 15.664 -3.861 -12.028 1.00 15.56 C

1505 ATOM 1050 NE ARG C 47 15.047 -4.672 -13.077 1.00 14.85 N

1506 ATOM 1051 CZ ARG C 47 13.973 -5.432 -12.903 1.00 14.29 C

1507 ATOM 1052 NH1 ARG C 47 13.383 -5.485 -11.715 1.00 15.12 N

1508 ATOM 1053 NH2 ARG C 47 13.491 -6.149 -13.921 1.00 14.56 N

1509 ATOM 1054 N LEU C 48 15.802 1.144 -14.393 1.00 17.24 N

1510 ATOM 1055 CA LEU C 48 15.137 2.121 -15.251 1.00 19.19 C

1511 ATOM 1056 C LEU C 48 16.189 2.948 -15.988 1.00 19.56 C

1512 ATOM 1057 O LEU C 48 16.060 3.204 -17.183 1.00 19.73 O

1513 ATOM 1058 CB LEU C 48 14.237 3.046 -14.415 1.00 18.98 C

1514 ATOM 1059 CG LEU C 48 13.404 4.109 -15.147 1.00 22.22 C

1515 ATOM 1060 CD1 LEU C 48 12.369 3.433 -16.029 1.00 21.49 C

1516 ATOM 1061 CD2 LEU C 48 12.709 5.014 -14.132 1.00 19.75 C

1517 ATOM 1062 N ASP C 49 17.239 3.353 -15.282 1.00 18.61 N

1518 ATOM 1063 CA ASP C 49 18.288 4.154 -15.905 1.00 19.53 C

1519 ATOM 1064 C ASP C 49 19.120 3.380 -16.918 1.00 18.65 C

1520 ATOM 1065 O ASP C 49 19.665 3.963 -17.857 1.00 18.24 O

1521 ATOM 1066 CB ASP C 49 19.219 4.748 -14.848 1.00 21.51 C

1522 ATOM 1067 CG ASP C 49 18.606 5.937 -14.135 1.00 24.20 C

1523 ATOM 1068 OD1 ASP C 49 17.953 6.759 -14.808 1.00 26.65 O

1524 ATOM 1069 OD2 ASP C 49 18.788 6.061 -12.909 1.00 27.02 O

1525 ATOM 1070 N ASN C 50 19.216 2.069 -16.732 1.00 16.96 N

1526 ATOM 1071 CA ASN C 50 20.016 1.243 -17.627 1.00 18.52 C

1527 ATOM 1072 C ASN C 50 19.223 0.595 -18.761 1.00 18.46 C

1528 ATOM 1073 O ASN C 50 19.741 -0.283 -19.457 1.00 19.28 O

1529 ATOM 1074 CB ASN C 50 20.755 0.168 -16.817 1.00 17.98 C

1530 ATOM 1075 CG ASN C 50 21.844 0.750 -15.916 1.00 21.08 C

1531 ATOM 1076 OD1 ASN C 50 22.378 0.061 -15.033 1.00 22.08 O

1532 ATOM 1077 ND2 ASN C 50 22.187 2.015 -16.142 1.00 16.64 N

1533 ATOM 1078 N MET C 51 17.983 1.034 -18.961 1.00 21.09 N

1534 ATOM 1079 CA MET C 51 17.142 0.479 -20.022 1.00 24.20 C

1535 ATOM 1080 C MET C 51 17.689 0.725 -21.417 1.00 24.88 C

1536 ATOM 1081 O MET C 51 18.250 1.783 -21.705 1.00 26.01 O

1537 ATOM 1082 CB MET C 51 15.727 1.064 -19.982 1.00 25.70 C

1538 ATOM 1083 CG MET C 51 14.797 0.466 -18.956 1.00 30.75 C

1539 ATOM 1084 SD MET C 51 13.082 0.841 -19.389 1.00 36.38 S

1540 ATOM 1085 CE MET C 51 13.060 2.610 -19.205 1.00 35.46 C

1541 ATOM 1086 N ALA C 52 17.482 -0.254 -22.288 1.00 27.19 N

1542 ATOM 1087 CA ALA C 52 17.926 -0.164 -23.670 1.00 29.66 C

1543 ATOM 1088 C ALA C 52 16.956 0.717 -24.453 1.00 31.56 C

1544 ATOM 1089 O ALA C 52 15.767 0.768 -24.146 1.00 32.88 O

1545 ATOM 1090 CB ALA C 52 17.986 -1.558 -24.285 1.00 28.85 C

1546 ATOM 1091 N THR C 53 17.473 1.406 -25.464 1.00 33.61 N

1547 ATOM 1092 CA THR C 53 16.662 2.284 -26.299 1.00 34.85 C

1548 ATOM 1093 C THR C 53 15.514 1.508 -26.940 1.00 34.25 C

1549 ATOM 1094 CB THR C 53 17.514 2.913 -27.416 1.00 36.03 C

1550 ATOM 1095 OG1 THR C 53 18.632 3.602 -26.835 1.00 39.01 O

1551 ATOM 1096 CG2 THR C 53 16.683 3.886 -28.234 1.00 36.82 C

1552 TER 1097 THR C 53

1553 HETATM 1098 ZN ZN A 81 6.108 8.865 50.946 1.00 20.35 ZN

1554 HETATM 1099 ZN ZN B 82 25.589 3.098 50.029 1.00 24.34 ZN

1555 HETATM 1100 ZN ZN C 83 9.244 -9.008 49.645 1.00 16.98 ZN

1556 HETATM 1101 O HOH A 107 9.993 -7.643 -6.935 1.00 19.13 O

1557 HETATM 1102 O HOH A 111 14.340 -8.631 -11.330 1.00 16.20 O

1558 HETATM 1103 O HOH A 112 10.212 5.923 21.655 1.00 17.58 O

1559 HETATM 1104 O HOH A 113 1.359 -1.664 -9.436 1.00 33.38 O

1560 HETATM 1105 O HOH A 114 5.205 7.623 35.708 1.00 30.30 O

1561 HETATM 1106 O HOH A 119 3.676 3.972 -3.847 1.00 20.80 O

1562 HETATM 1107 O HOH A 120 3.638 -0.581 -14.517 1.00 36.01 O

1563 HETATM 1108 O HOH A 127 6.725 1.233 43.945 1.00 23.36 O

1564 HETATM 1109 O HOH A 128 2.604 4.230 26.160 1.00 36.82 O

1565 HETATM 1110 O HOH A 131 4.415 -5.964 -3.235 1.00 25.34 O

1566 HETATM 1111 O HOH A 132 10.255 10.202 26.460 1.00 34.02 O

1567 HETATM 1112 O HOH A 134 2.563 -1.146 -2.405 1.00 34.54 O

1568 HETATM 1113 O HOH A 137 2.340 -1.959 13.894 1.00 32.62 O

1569 HETATM 1114 O HOH A 140 11.200 -8.669 -9.047 1.00 31.19 O

1570 HETATM 1115 O HOH A 143 12.485 -6.737 -17.654 1.00 44.47 O

1571 HETATM 1116 O HOH A 145 7.550 5.173 11.081 1.00 36.66 O

1572 HETATM 1117 O HOH A 146 3.368 -3.474 6.948 1.00 23.71 O

1573 HETATM 1118 O HOH A 149 17.583 7.490 37.012 1.00 41.47 O

1574 HETATM 1119 O HOH A 151 8.441 -7.861 0.493 1.00 43.73 O

1575 HETATM 1120 O HOH A 153 17.152 10.026 40.735 1.00 40.52 O

1576 HETATM 1121 O HOH A 155 13.606 10.669 54.390 1.00 27.21 O

1577 HETATM 1122 O HOH A 159 9.120 2.925 53.244 1.00 32.13 O

1578 HETATM 1123 O HOH A 161 0.947 5.913 10.315 1.00 42.96 O

1579 HETATM 1124 O HOH A 163 6.746 7.943 44.785 1.00 37.53 O

1580 HETATM 1125 O HOH A 171 3.182 5.565 23.375 1.00 28.74 O

1581 HETATM 1126 O HOH A 172 11.051 9.820 38.460 1.00 29.26 O

1582 HETATM 1127 O HOH A 173 3.082 6.562 37.125 1.00 40.25 O

1583 HETATM 1128 O HOH A 174 0.104 -4.322 -16.075 1.00 46.84 O

1584 HETATM 1129 O HOH A 177 11.685 11.728 47.232 1.00 31.47 O

1585 HETATM 1130 O HOH A 179 6.226 -8.343 -2.134 1.00 36.61 O

1586 HETATM 1131 O HOH A 180 2.858 3.727 30.759 1.00 43.09 O

1587 HETATM 1132 O HOH A 182 17.180 7.898 53.540 1.00 42.00 O

1588 HETATM 1133 O HOH A 184 5.740 -5.450 10.750 1.00 32.31 O

1589 HETATM 1134 O HOH A 186 8.486 11.508 52.814 1.00 30.80 O

1590 HETATM 1135 O HOH A 189 1.480 0.733 -13.974 1.00 53.36 O

1591 HETATM 1136 O HOH A 191 10.152 11.713 44.517 1.00 34.36 O

1592 HETATM 1137 O HOH A 198 8.014 -9.934 -3.454 1.00 39.82 O

1593 HETATM 1138 O HOH A 199 8.273 -10.737 -11.245 1.00 40.84 O

1594 HETATM 1139 O HOH A 200 6.110 -9.615 -12.267 1.00 53.36 O

1595 HETATM 1140 O HOH A 201 17.889 9.830 51.518 1.00 53.90 O

1596 HETATM 1141 O HOH A 202 8.773 -3.721 -24.171 1.00 43.29 O

1597 HETATM 1142 O HOH A 204 3.863 4.747 28.352 1.00 27.74 O

1598 HETATM 1143 O HOH A 211 4.053 5.777 11.276 1.00 35.21 O

1599 HETATM 1144 O HOH A 213 3.414 -4.124 4.448 1.00 39.81 O

1600 HETATM 1145 O HOH A 214 3.249 -1.359 0.767 1.00 20.13 O

1601 HETATM 1146 O HOH A 215 1.931 -3.148 2.390 1.00 35.23 O

1602 HETATM 1147 O HOH A 216 2.104 1.153 1.491 1.00 44.69 O

1603 HETATM 1148 O HOH A 217 0.384 -4.284 -5.000 1.00 49.94 O

1604 HETATM 1149 O HOH A 218 1.749 -3.642 -2.729 1.00 51.39 O

1605 HETATM 1150 O HOH A 219 -0.132 -7.381 -5.622 1.00 42.19 O

1606 HETATM 1151 O HOH A 220 15.014 12.584 47.000 1.00 38.94 O

1607 HETATM 1152 O HOH A 221 7.306 10.349 44.929 1.00 28.91 O

1608 HETATM 1153 O HOH A 224 6.227 9.666 39.920 1.00 23.02 O

1609 HETATM 1154 O HOH A 225 6.393 7.715 37.935 1.00 25.45 O

1610 HETATM 1155 O HOH A 226 4.398 5.130 40.198 1.00 42.01 O

1611 HETATM 1156 O HOH A 227 12.515 10.796 41.549 1.00 34.45 O

1612 HETATM 1157 O HOH A 228 5.297 -2.320 26.220 1.00 33.16 O

1613 HETATM 1158 O HOH A 229 2.547 0.584 17.569 1.00 29.66 O

1614 HETATM 1159 O HOH A 231 9.471 -4.130 23.741 1.00 23.59 O

1615 HETATM 1160 O HOH A 232 10.216 11.999 56.732 1.00 33.32 O

1616 HETATM 1161 O HOH A 238 4.348 -8.641 2.908 1.00 46.65 O

1617 HETATM 1162 O HOH A 246 17.063 6.137 39.251 1.00 32.13 O

1618 HETATM 1163 O HOH A 253 3.187 -5.547 8.648 1.00 45.89 O

1619 HETATM 1164 O HOH A 258 2.797 7.400 52.852 1.00 37.95 O

1620 HETATM 1165 O HOH A 259 10.715 2.275 55.297 1.00 43.08 O

1621 HETATM 1166 O HOH A 270 3.410 7.634 27.180 1.00 46.25 O

1622 HETATM 1167 O HOH A 272 10.511 -9.988 -2.617 1.00 53.80 O

1623 HETATM 1168 O HOH A 274 4.945 -7.050 -5.742 1.00 30.61 O

1624 HETATM 1169 O HOH A 285 4.812 2.790 35.136 1.00 37.15 O

1625 HETATM 1170 O HOH A 287 20.449 8.779 38.804 1.00 48.25 O

1626 HETATM 1171 O HOH A 288 3.259 5.630 34.793 1.00 48.36 O

1627 HETATM 1172 O HOH A 292 10.804 -7.678 -0.657 1.00 40.59 O

1628 HETATM 1173 O HOH A 297 13.962 2.919 54.985 1.00 44.54 O

1629 HETATM 1174 O HOH A 303 -3.148 1.045 32.136 1.00 42.80 O

1630 HETATM 1175 O HOH A 304 -1.919 3.317 33.288 1.00 58.38 O

1631 HETATM 1176 O HOH A 306 -2.688 -4.561 14.482 1.00 48.66 O

1632 HETATM 1177 O HOH A 311 -0.281 -0.019 -3.977 1.00 36.43 O

1633 HETATM 1178 O HOH A 318 10.732 4.760 56.797 1.00 47.25 O

1634 HETATM 1179 O HOH A 334 3.892 8.564 49.747 1.00 28.23 O

1635 HETATM 1180 O HOH B 103 6.017 3.543 -0.143 1.00 13.09 O

1636 HETATM 1181 O HOH B 105 9.177 9.516 12.135 1.00 21.15 O

1637 HETATM 1182 O HOH B 108 12.097 9.706 22.413 1.00 26.40 O

1638 HETATM 1183 O HOH B 110 16.217 -4.712 37.497 1.00 29.45 O

1639 HETATM 1184 O HOH B 115 4.282 6.111 -5.541 1.00 18.77 O

1640 HETATM 1185 O HOH B 116 9.947 11.484 -12.078 1.00 35.98 O

1641 HETATM 1186 O HOH B 117 4.896 2.014 1.923 1.00 23.86 O

1642 HETATM 1187 O HOH B 118 0.246 4.342 -6.783 1.00 36.49 O

1643 HETATM 1188 O HOH B 122 17.533 -2.876 36.148 1.00 23.43 O

1644 HETATM 1189 O HOH B 126 18.139 1.677 7.642 1.00 24.32 O

1645 HETATM 1190 O HOH B 135 26.289 -0.800 50.257 1.00 34.39 O

1646 HETATM 1191 O HOH B 139 8.018 10.014 -2.265 1.00 33.86 O

1647 HETATM 1192 O HOH B 141 12.018 2.950 -10.513 1.00 25.83 O

1648 HETATM 1193 O HOH B 144 4.486 5.580 0.572 1.00 39.35 O

1649 HETATM 1194 O HOH B 147 14.267 11.928 15.347 1.00 30.16 O

1650 HETATM 1195 O HOH B 148 5.723 7.878 1.490 1.00 33.73 O

1651 HETATM 1196 O HOH B 150 14.596 10.360 21.207 1.00 41.74 O

1652 HETATM 1197 O HOH B 152 21.388 4.454 47.621 1.00 27.63 O

1653 HETATM 1198 O HOH B 154 13.800 5.974 -4.996 1.00 19.14 O

1654 HETATM 1199 O HOH B 162 2.818 4.765 -7.458 1.00 25.42 O

1655 HETATM 1200 O HOH B 164 26.986 6.236 53.325 1.00 44.72 O

1656 HETATM 1201 O HOH B 167 2.390 8.859 -9.424 1.00 36.83 O

1657 HETATM 1202 O HOH B 169 19.843 6.477 34.772 1.00 24.13 O

1658 HETATM 1203 O HOH B 170 12.274 9.823 -13.863 1.00 29.31 O

1659 HETATM 1204 O HOH B 183 16.010 8.906 1.937 1.00 43.26 O

1660 HETATM 1205 O HOH B 187 9.749 11.741 7.479 1.00 30.67 O

1661 HETATM 1206 O HOH B 188 16.945 -6.181 55.614 1.00 43.82 O

1662 HETATM 1207 O HOH B 190 20.825 6.131 28.438 1.00 31.69 O

1663 HETATM 1208 O HOH B 192 1.293 2.814 -9.815 1.00 22.78 O

1664 HETATM 1209 O HOH B 193 16.682 9.026 -9.956 1.00 36.17 O

1665 HETATM 1210 O HOH B 205 13.770 9.258 27.440 1.00 44.18 O

1666 HETATM 1211 O HOH B 206 15.172 11.246 30.156 1.00 55.53 O

1667 HETATM 1212 O HOH B 207 13.845 9.906 32.267 1.00 51.70 O

1668 HETATM 1213 O HOH B 208 9.808 7.035 24.388 1.00 34.73 O

1669 HETATM 1214 O HOH B 210 20.130 4.428 22.320 1.00 38.72 O

1670 HETATM 1215 O HOH B 212 3.091 2.165 6.381 1.00 35.71 O

1671 HETATM 1216 O HOH B 233 6.839 7.564 12.126 1.00 30.31 O

1672 HETATM 1217 O HOH B 235 7.426 12.845 -15.551 1.00 52.57 O

1673 HETATM 1218 O HOH B 239 24.294 -3.347 47.403 1.00 26.29 O

1674 HETATM 1219 O HOH B 241 18.613 -1.896 25.552 1.00 40.78 O

1675 HETATM 1220 O HOH B 242 20.332 -3.959 53.526 1.00 27.13 O

1676 HETATM 1221 O HOH B 243 18.035 -3.148 54.860 1.00 44.80 O

1677 HETATM 1222 O HOH B 244 14.579 -7.404 51.886 1.00 52.09 O

1678 HETATM 1223 O HOH B 245 14.146 -9.020 54.328 1.00 39.62 O

1679 HETATM 1224 O HOH B 247 8.737 12.923 3.158 1.00 46.96 O

1680 HETATM 1225 O HOH B 249 6.323 12.234 4.653 1.00 51.77 O

1681 HETATM 1226 O HOH B 250 2.992 7.003 -1.509 1.00 51.20 O

1682 HETATM 1227 O HOH B 251 5.117 9.378 -0.802 1.00 35.74 O

1683 HETATM 1228 O HOH B 252 3.311 8.370 -4.615 1.00 47.07 O

1684 HETATM 1229 O HOH B 255 22.038 2.154 28.866 1.00 41.65 O

1685 HETATM 1230 O HOH B 256 23.395 1.782 37.565 1.00 27.12 O

1686 HETATM 1231 O HOH B 257 20.154 -7.667 40.781 1.00 54.95 O

1687 HETATM 1232 O HOH B 262 13.901 1.879 10.237 1.00 27.59 O

1688 HETATM 1233 O HOH B 266 11.244 11.297 4.770 1.00 25.29 O

1689 HETATM 1234 O HOH B 268 6.933 11.980 7.319 1.00 30.93 O

1690 HETATM 1235 O HOH B 271 7.153 9.984 -4.768 1.00 28.84 O

1691 HETATM 1236 O HOH B 275 6.575 8.781 4.423 1.00 50.19 O

1692 HETATM 1237 O HOH B 277 10.833 11.711 10.405 1.00 29.82 O

1693 HETATM 1238 O HOH B 278 22.833 2.256 25.981 1.00 30.68 O

1694 HETATM 1239 O HOH B 279 13.586 8.930 35.650 1.00 38.04 O

1695 HETATM 1240 O HOH B 280 9.707 8.585 -21.244 1.00 50.65 O

1696 HETATM 1241 O HOH B 281 9.427 11.267 -15.744 1.00 45.31 O

1697 HETATM 1242 O HOH B 289 22.681 5.387 40.325 1.00 51.34 O

1698 HETATM 1243 O HOH B 290 25.252 0.659 38.933 1.00 33.49 O

1699 HETATM 1244 O HOH B 291 22.560 -2.530 37.283 1.00 30.59 O

1700 HETATM 1245 O HOH B 298 14.933 8.378 -4.757 1.00 47.35 O

1701 HETATM 1246 O HOH B 299 11.772 7.047 -17.894 1.00 51.85 O

1702 HETATM 1247 O HOH B 301 3.155 9.029 2.408 1.00 48.26 O

1703 HETATM 1248 O HOH B 302 22.121 -14.214 39.953 1.00 43.09 O

1704 HETATM 1249 O HOH B 305 10.515 8.145 -15.482 1.00 50.03 O

1705 HETATM 1250 O HOH B 310 18.093 10.237 26.189 1.00 51.56 O

1706 HETATM 1251 O HOH B 313 22.160 -1.893 26.270 1.00 43.51 O

1707 HETATM 1252 O HOH B 314 16.381 -8.705 55.676 1.00 48.58 O

1708 HETATM 1253 O HOH B 316 20.487 -6.347 36.321 1.00 43.22 O

1709 HETATM 1254 O HOH B 317 22.339 -8.837 41.960 1.00 43.60 O

1710 HETATM 1255 O HOH B 323 21.171 6.689 23.135 1.00 53.46 O

1711 HETATM 1256 O HOH B 324 6.344 11.456 -6.748 1.00 43.16 O

1712 HETATM 1257 O HOH B 325 13.260 7.500 31.362 1.00 52.15 O

1713 HETATM 1258 O HOH B 326 7.095 14.537 -12.456 1.00 40.89 O

1714 HETATM 1259 O HOH B 328 19.962 -3.956 37.139 1.00 43.11 O

1715 HETATM 1260 O HOH B 330 20.326 8.204 30.027 1.00 41.14 O

1716 HETATM 1261 O HOH B 333 14.130 7.345 -16.887 1.00 44.06 O

1717 HETATM 1262 O HOH C 101 17.423 -5.539 -3.580 1.00 18.39 O

1718 HETATM 1263 O HOH C 102 10.196 -4.750 9.903 1.00 22.86 O

1719 HETATM 1264 O HOH C 104 12.279 -7.206 -5.315 1.00 16.80 O

1720 HETATM 1265 O HOH C 106 11.755 -5.191 -1.523 1.00 18.69 O

1721 HETATM 1266 O HOH C 109 23.421 -1.087 1.630 1.00 39.80 O

1722 HETATM 1267 O HOH C 121 5.376 -7.301 55.637 1.00 19.36 O

1723 HETATM 1268 O HOH C 123 13.105 -10.176 52.093 1.00 29.42 O

1724 HETATM 1269 O HOH C 124 17.319 -2.324 -17.264 1.00 18.79 O

1725 HETATM 1270 O HOH C 125 8.445 -3.112 56.229 1.00 27.39 O

1726 HETATM 1271 O HOH C 129 13.943 -4.519 52.176 1.00 35.31 O

1727 HETATM 1272 O HOH C 130 21.289 -2.773 -14.759 1.00 19.71 O

1728 HETATM 1273 O HOH C 133 4.275 -3.328 53.234 1.00 15.57 O

1729 HETATM 1274 O HOH C 136 16.975 3.988 -2.256 1.00 23.56 O

1730 HETATM 1275 O HOH C 138 19.888 -2.930 12.132 1.00 30.69 O

1731 HETATM 1276 O HOH C 142 17.937 7.334 4.121 1.00 30.28 O

1732 HETATM 1277 O HOH C 156 10.638 -0.517 55.026 1.00 32.17 O

1733 HETATM 1278 O HOH C 157 20.613 1.802 -0.889 1.00 43.12 O

1734 HETATM 1279 O HOH C 158 12.224 -8.312 40.399 1.00 34.82 O

1735 HETATM 1280 O HOH C 160 20.595 4.353 1.259 1.00 51.47 O

1736 HETATM 1281 O HOH C 165 13.936 -8.670 26.845 1.00 28.09 O

1737 HETATM 1282 O HOH C 166 4.014 1.496 39.709 1.00 42.35 O

1738 HETATM 1283 O HOH C 168 9.546 -8.019 37.029 1.00 25.33 O

1739 HETATM 1284 O HOH C 175 17.480 3.439 15.606 1.00 22.17 O

1740 HETATM 1285 O HOH C 176 4.339 -5.320 45.983 1.00 23.43 O

1741 HETATM 1286 O HOH C 178 11.281 -8.477 9.339 1.00 46.23 O

1742 HETATM 1287 O HOH C 181 17.603 -6.834 16.298 1.00 38.67 O

1743 HETATM 1288 O HOH C 185 18.315 5.501 -6.408 1.00 28.48 O

1744 HETATM 1289 O HOH C 194 10.118 -10.599 48.167 1.00 15.87 O

1745 HETATM 1290 O HOH C 195 13.987 -12.615 53.546 1.00 43.62 O

1746 HETATM 1291 O HOH C 196 12.605 -6.806 54.388 1.00 26.22 O

1747 HETATM 1292 O HOH C 197 20.517 4.730 -11.632 1.00 40.71 O

1748 HETATM 1293 O HOH C 203 7.745 1.546 41.499 1.00 25.77 O

1749 HETATM 1294 O HOH C 209 18.866 1.382 17.047 1.00 27.41 O

1750 HETATM 1295 O HOH C 222 10.003 -7.834 28.036 1.00 26.96 O

1751 HETATM 1296 O HOH C 223 19.905 6.406 -27.486 1.00 48.31 O

1752 HETATM 1297 O HOH C 230 9.414 -3.937 21.016 1.00 22.59 O

1753 HETATM 1298 O HOH C 234 15.052 -4.736 40.276 1.00 24.83 O

1754 HETATM 1299 O HOH C 236 19.963 2.039 9.576 1.00 53.11 O

1755 HETATM 1300 O HOH C 237 20.728 -2.452 9.344 1.00 35.98 O

1756 HETATM 1301 O HOH C 240 18.593 -5.134 23.083 1.00 27.37 O

1757 HETATM 1302 O HOH C 248 20.842 -1.586 -4.543 1.00 29.45 O

1758 HETATM 1303 O HOH C 254 14.650 -6.431 -16.373 1.00 27.96 O

1759 HETATM 1304 O HOH C 260 4.586 0.661 36.666 1.00 34.74 O

1760 HETATM 1305 O HOH C 261 6.403 -4.664 36.849 1.00 34.23 O

1761 HETATM 1306 O HOH C 263 18.941 4.356 -20.701 1.00 42.80 O

1762 HETATM 1307 O HOH C 264 19.694 3.765 -8.145 1.00 26.25 O

1763 HETATM 1308 O HOH C 265 19.833 -4.366 -13.564 1.00 30.97 O

1764 HETATM 1309 O HOH C 267 21.260 -1.955 -7.440 1.00 29.83 O

1765 HETATM 1310 O HOH C 269 12.297 -7.174 46.327 1.00 37.44 O

1766 HETATM 1311 O HOH C 273 13.634 -9.103 -8.847 1.00 31.83 O

1767 HETATM 1312 O HOH C 276 16.421 -7.534 7.468 1.00 41.49 O

1768 HETATM 1313 O HOH C 282 21.486 -3.891 3.072 1.00 33.92 O

1769 HETATM 1314 O HOH C 283 3.946 -3.471 35.043 1.00 37.21 O

1770 HETATM 1315 O HOH C 284 17.493 6.296 -19.597 1.00 34.07 O

1771 HETATM 1316 O HOH C 286 12.924 -9.136 22.127 1.00 31.37 O

1772 HETATM 1317 O HOH C 293 24.175 -0.330 5.835 1.00 48.18 O

1773 HETATM 1318 O HOH C 294 0.286 -3.402 50.829 1.00 29.19 O

1774 HETATM 1319 O HOH C 295 5.516 -7.628 49.118 1.00 30.04 O

1775 HETATM 1320 O HOH C 296 13.991 -8.624 48.673 1.00 48.65 O

1776 HETATM 1321 O HOH C 300 6.177 -8.242 51.651 1.00 38.60 O

1777 HETATM 1322 O HOH C 307 15.975 -8.838 28.485 1.00 41.21 O

1778 HETATM 1323 O HOH C 308 13.740 -5.615 0.064 1.00 36.47 O

1779 HETATM 1324 O HOH C 309 14.519 -9.243 24.380 1.00 38.53 O

1780 HETATM 1325 O HOH C 312 7.557 -8.731 38.483 1.00 33.77 O

1781 HETATM 1326 O HOH C 315 15.943 -2.747 -21.871 1.00 37.94 O

1782 HETATM 1327 O HOH C 319 26.292 -0.036 -11.403 1.00 49.62 O

1783 HETATM 1328 O HOH C 320 20.967 -6.327 8.715 1.00 30.89 O

1784 HETATM 1329 O HOH C 321 14.892 -7.699 33.600 1.00 31.06 O

1785 HETATM 1330 O HOH C 322 21.209 -5.169 33.215 1.00 49.75 O

1786 HETATM 1331 O HOH C 327 16.281 -7.013 35.875 1.00 43.46 O

1787 HETATM 1332 O HOH C 329 16.175 4.847 -4.592 1.00 37.97 O

1788 HETATM 1333 O HOH C 331 13.042 -9.686 37.607 1.00 39.62 O

1789 HETATM 1334 O HOH C 332 3.914 6.757 45.976 1.00 46.06 O

1790 CONECT 1 1098

1791 CONECT 4 1098

1792 CONECT 50 1098

1793 CONECT 359 1099

1794 CONECT 362 1099

1795 CONECT 407 1099

1796 CONECT 408 1099

1797 CONECT 725 1100

1798 CONECT 728 1100

1799 CONECT 774 1100

1800 CONECT 1098 1 4 50 1179

1801 CONECT 1099 359 362 407 408

1802 CONECT 1100 725 728 774 1289

1803 CONECT 1179 1098

1804 CONECT 1289 1100

1805 MASTER 351 0 3 3 0 0 3 6 1331 3 15 15

1806 END