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comparison test-data/1AKI.pdb @ 0:1a5960636405 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author chemteam
date Mon, 07 Oct 2019 12:48:44 -0400
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-1:000000000000 0:1a5960636405
1 HEADER HYDROLASE 19-MAY-97 1AKI
2 TITLE THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE
3 TITLE 2 LYSOZYME AT 1.5 ANGSTROMS RESOLUTION
4 COMPND MOL_ID: 1;
5 COMPND 2 MOLECULE: LYSOZYME;
6 COMPND 3 CHAIN: A;
7 COMPND 4 EC: 3.2.1.17
8 SOURCE MOL_ID: 1;
9 SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
10 SOURCE 3 ORGANISM_COMMON: CHICKEN;
11 SOURCE 4 ORGANISM_TAXID: 9031;
12 SOURCE 5 CELL: EGG
13 KEYWDS HYDROLASE, GLYCOSIDASE
14 EXPDTA X-RAY DIFFRACTION
15 AUTHOR D.CARTER,J.HE,J.R.RUBLE,B.WRIGHT
16 REVDAT 2 24-FEB-09 1AKI 1 VERSN
17 REVDAT 1 19-NOV-97 1AKI 0
18 JRNL AUTH P.J.ARTYMIUK,C.C.F.BLAKE,D.W.RICE,K.S.WILSON
19 JRNL TITL THE STRUCTURES OF THE MONOCLINIC AND ORTHORHOMBIC
20 JRNL TITL 2 FORMS OF HEN EGG-WHITE LYSOZYME AT 6 ANGSTROMS
21 JRNL TITL 3 RESOLUTION
22 JRNL REF ACTA CRYSTALLOGR.,SECT.B V. 38 778 1982
23 JRNL REFN ISSN 0108-7681
24 REMARK 1
25 REMARK 2
26 REMARK 2 RESOLUTION. 1.50 ANGSTROMS.
27 REMARK 3
28 REMARK 3 REFINEMENT.
29 REMARK 3 PROGRAM : GPRLSA, X-PLOR
30 REMARK 3 AUTHORS : FUREY
31 REMARK 3
32 REMARK 3 DATA USED IN REFINEMENT.
33 REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50
34 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00
35 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000
36 REMARK 3 COMPLETENESS FOR RANGE (%) : 91.1
37 REMARK 3 NUMBER OF REFLECTIONS : 16327
38 REMARK 3
39 REMARK 3 FIT TO DATA USED IN REFINEMENT.
40 REMARK 3 CROSS-VALIDATION METHOD : NULL
41 REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
42 REMARK 3 R VALUE (WORKING + TEST SET) : NULL
43 REMARK 3 R VALUE (WORKING SET) : 0.212
44 REMARK 3 FREE R VALUE : NULL
45 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
46 REMARK 3 FREE R VALUE TEST SET COUNT : NULL
47 REMARK 3
48 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA.
49 REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
50 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL
51 REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
52 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
53 REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
54 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
55 REMARK 3
56 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
57 REMARK 3 PROTEIN ATOMS : 1001
58 REMARK 3 NUCLEIC ACID ATOMS : 0
59 REMARK 3 HETEROGEN ATOMS : 0
60 REMARK 3 SOLVENT ATOMS : 78
61 REMARK 3
62 REMARK 3 B VALUES.
63 REMARK 3 FROM WILSON PLOT (A**2) : NULL
64 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
65 REMARK 3 OVERALL ANISOTROPIC B VALUE.
66 REMARK 3 B11 (A**2) : NULL
67 REMARK 3 B22 (A**2) : NULL
68 REMARK 3 B33 (A**2) : NULL
69 REMARK 3 B12 (A**2) : NULL
70 REMARK 3 B13 (A**2) : NULL
71 REMARK 3 B23 (A**2) : NULL
72 REMARK 3
73 REMARK 3 ESTIMATED COORDINATE ERROR.
74 REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
75 REMARK 3 ESD FROM SIGMAA (A) : NULL
76 REMARK 3 LOW RESOLUTION CUTOFF (A) : 10.00
77 REMARK 3
78 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
79 REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA
80 REMARK 3 BOND LENGTH (A) : 0.009 ; 0.010
81 REMARK 3 ANGLE DISTANCE (A) : 0.003 ; 0.025
82 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.024 ; 0.020
83 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL
84 REMARK 3
85 REMARK 3 PLANE RESTRAINT (A) : 0.033 ; 0.030
86 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.212 ; 0.200
87 REMARK 3
88 REMARK 3 NON-BONDED CONTACT RESTRAINTS.
89 REMARK 3 SINGLE TORSION (A) : 0.183 ; 0.300
90 REMARK 3 MULTIPLE TORSION (A) : 0.159 ; 0.300
91 REMARK 3 H-BOND (X...Y) (A) : 0.299 ; 0.300
92 REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL
93 REMARK 3
94 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS.
95 REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL
96 REMARK 3 PLANAR (DEGREES) : 7.900 ; 5.000
97 REMARK 3 STAGGERED (DEGREES) : 17.800; 15.000
98 REMARK 3 TRANSVERSE (DEGREES) : 18.900; 15.000
99 REMARK 3
100 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
101 REMARK 3 MAIN-CHAIN BOND (A**2) : 2.500 ; 3.000
102 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.900 ; 4.000
103 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.200 ; 4.000
104 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.600 ; 3.000
105 REMARK 3
106 REMARK 3 OTHER REFINEMENT REMARKS: NULL
107 REMARK 4
108 REMARK 4 1AKI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
109 REMARK 100
110 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
111 REMARK 200
112 REMARK 200 EXPERIMENTAL DETAILS
113 REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
114 REMARK 200 DATE OF DATA COLLECTION : NOV-95
115 REMARK 200 TEMPERATURE (KELVIN) : 298
116 REMARK 200 PH : 4.48
117 REMARK 200 NUMBER OF CRYSTALS USED : 1
118 REMARK 200
119 REMARK 200 SYNCHROTRON (Y/N) : N
120 REMARK 200 RADIATION SOURCE : ROTATING ANODE
121 REMARK 200 BEAMLINE : NULL
122 REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R
123 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
124 REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
125 REMARK 200 MONOCHROMATOR : GRAPHITE(002)
126 REMARK 200 OPTICS : NULL
127 REMARK 200
128 REMARK 200 DETECTOR TYPE : IMAGE PLATE
129 REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC
130 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : RIGAKU
131 REMARK 200 DATA SCALING SOFTWARE : BIOTEX
132 REMARK 200
133 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20571
134 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500
135 REMARK 200 RESOLUTION RANGE LOW (A) : 15.000
136 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000
137 REMARK 200
138 REMARK 200 OVERALL.
139 REMARK 200 COMPLETENESS FOR RANGE (%) : 91.1
140 REMARK 200 DATA REDUNDANCY : 3.100
141 REMARK 200 R MERGE (I) : 0.04400
142 REMARK 200 R SYM (I) : NULL
143 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.7000
144 REMARK 200
145 REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
146 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
147 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
148 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
149 REMARK 200 DATA REDUNDANCY IN SHELL : NULL
150 REMARK 200 R MERGE FOR SHELL (I) : NULL
151 REMARK 200 R SYM FOR SHELL (I) : NULL
152 REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
153 REMARK 200
154 REMARK 200 DIFFRACTION PROTOCOL: NULL
155 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
156 REMARK 200 SOFTWARE USED: X-PLOR
157 REMARK 200 STARTING MODEL: PDB ENTRY 2LZH
158 REMARK 200
159 REMARK 200 REMARK: NULL
160 REMARK 280
161 REMARK 280 CRYSTAL
162 REMARK 280 SOLVENT CONTENT, VS (%): 42.84
163 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15
164 REMARK 280
165 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.48
166 REMARK 290
167 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
168 REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
169 REMARK 290
170 REMARK 290 SYMOP SYMMETRY
171 REMARK 290 NNNMMM OPERATOR
172 REMARK 290 1555 X,Y,Z
173 REMARK 290 2555 -X+1/2,-Y,Z+1/2
174 REMARK 290 3555 -X,Y+1/2,-Z+1/2
175 REMARK 290 4555 X+1/2,-Y+1/2,-Z
176 REMARK 290
177 REMARK 290 WHERE NNN -> OPERATOR NUMBER
178 REMARK 290 MMM -> TRANSLATION VECTOR
179 REMARK 290
180 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
181 REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
182 REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
183 REMARK 290 RELATED MOLECULES.
184 REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
185 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
186 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
187 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 29.53100
188 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
189 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.25850
190 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
191 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.22550
192 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.25850
193 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.53100
194 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.22550
195 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
196 REMARK 290
197 REMARK 290 REMARK: NULL
198 REMARK 300
199 REMARK 300 BIOMOLECULE: 1
200 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
201 REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
202 REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
203 REMARK 300 BURIED SURFACE AREA.
204 REMARK 350
205 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
206 REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
207 REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
208 REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
209 REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
210 REMARK 350
211 REMARK 350 BIOMOLECULE: 1
212 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
213 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
214 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
215 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
216 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
217 REMARK 500
218 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
219 REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
220 REMARK 500
221 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
222 REMARK 500
223 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
224 REMARK 500 NH2 ARG A 45 NH2 ARG A 68 2.16
225 REMARK 500
226 REMARK 500 REMARK: NULL
227 REMARK 500
228 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
229 REMARK 500 SUBTOPIC: CLOSE CONTACTS
230 REMARK 500
231 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
232 REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
233 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
234 REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
235 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
236 REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
237 REMARK 500
238 REMARK 500 DISTANCE CUTOFF:
239 REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
240 REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
241 REMARK 500
242 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
243 REMARK 500 OD1 ASN A 19 ND2 ASN A 39 1556 2.09
244 REMARK 500
245 REMARK 500 REMARK: NULL
246 REMARK 500
247 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
248 REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
249 REMARK 500
250 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
251 REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
252 REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
253 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
254 REMARK 500
255 REMARK 500 STANDARD TABLE:
256 REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
257 REMARK 500
258 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
259 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
260 REMARK 500
261 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
262 REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES
263 REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES
264 REMARK 500 ARG A 21 CD - NE - CZ ANGL. DEV. = 13.6 DEGREES
265 REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 5.1 DEGREES
266 REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES
267 REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -5.7 DEGREES
268 REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES
269 REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES
270 REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = 8.8 DEGREES
271 REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = -6.5 DEGREES
272 REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES
273 REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 8.6 DEGREES
274 REMARK 500 ARG A 112 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
275 REMARK 500 ARG A 125 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES
276 REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
277 REMARK 500
278 REMARK 500 REMARK: NULL
279 REMARK 500
280 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
281 REMARK 500 SUBTOPIC: PLANAR GROUPS
282 REMARK 500
283 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
284 REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
285 REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
286 REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
287 REMARK 500 AN RMSD GREATER THAN THIS VALUE
288 REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
289 REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
290 REMARK 500
291 REMARK 500 M RES CSSEQI RMS TYPE
292 REMARK 500 ARG A 14 0.12 SIDE_CHAIN
293 REMARK 500 ARG A 21 0.21 SIDE_CHAIN
294 REMARK 500 ARG A 68 0.15 SIDE_CHAIN
295 REMARK 500 ARG A 73 0.25 SIDE_CHAIN
296 REMARK 500 ARG A 112 0.15 SIDE_CHAIN
297 REMARK 500 ARG A 114 0.13 SIDE_CHAIN
298 REMARK 500
299 REMARK 500 REMARK: NULL
300 REMARK 500
301 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
302 REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
303 REMARK 500
304 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
305 REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER
306 REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
307 REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
308 REMARK 500 I=INSERTION CODE).
309 REMARK 500
310 REMARK 500 M RES CSSEQI ANGLE
311 REMARK 500 ARG A 128 10.17
312 REMARK 500
313 REMARK 500 REMARK: NULL
314 DBREF 1AKI A 1 129 UNP P00698 LYSC_CHICK 19 147
315 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS
316 SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY
317 SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN
318 SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP
319 SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN
320 SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE
321 SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER
322 SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY
323 SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY
324 SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU
325 FORMUL 2 HOH *78(H2 O)
326 HELIX 1 1 ARG A 5 ARG A 14 1 10
327 HELIX 2 2 TYR A 20 GLY A 22 5 3
328 HELIX 3 3 LEU A 25 SER A 36 1 12
329 HELIX 4 4 CYS A 80 LEU A 84 5 5
330 HELIX 5 5 THR A 89 ASP A 101 1 13
331 HELIX 6 6 GLY A 104 ALA A 107 5 4
332 HELIX 7 7 VAL A 109 ARG A 114 1 6
333 HELIX 8 8 VAL A 120 TRP A 123 5 4
334 SHEET 1 A 2 THR A 43 ARG A 45 0
335 SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44
336 SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.97
337 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.00
338 SSBOND 3 CYS A 64 CYS A 80 1555 1555 1.99
339 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02
340 CRYST1 59.062 68.451 30.517 90.00 90.00 90.00 P 21 21 21 4
341 ORIGX1 1.000000 0.000000 0.000000 0.00000
342 ORIGX2 0.000000 1.000000 0.000000 0.00000
343 ORIGX3 0.000000 0.000000 1.000000 0.00000
344 SCALE1 0.016931 0.000000 0.000000 0.00000
345 SCALE2 0.000000 0.014609 0.000000 0.00000
346 SCALE3 0.000000 0.000000 0.032769 0.00000
347 ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N
348 ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C
349 ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C
350 ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O
351 ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C
352 ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C
353 ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C
354 ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C
355 ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N
356 ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N
357 ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C
358 ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C
359 ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O
360 ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C
361 ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C
362 ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C
363 ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N
364 ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C
365 ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C
366 ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O
367 ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C
368 ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C
369 ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C
370 ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C
371 ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C
372 ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C
373 ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C
374 ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N
375 ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C
376 ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C
377 ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O
378 ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N
379 ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C
380 ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C
381 ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O
382 ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C
383 ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C
384 ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C
385 ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N
386 ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C
387 ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N
388 ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N
389 ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N
390 ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C
391 ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C
392 ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O
393 ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C
394 ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S
395 ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N
396 ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C
397 ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C
398 ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O
399 ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C
400 ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C
401 ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C
402 ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O
403 ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O
404 ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N
405 ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C
406 ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C
407 ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O
408 ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C
409 ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C
410 ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C
411 ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C
412 ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N
413 ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C
414 ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C
415 ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O
416 ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C
417 ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N
418 ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C
419 ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C
420 ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O
421 ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C
422 ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N
423 ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C
424 ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C
425 ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O
426 ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C
427 ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N
428 ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C
429 ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C
430 ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O
431 ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C
432 ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C
433 ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S
434 ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C
435 ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N
436 ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C
437 ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C
438 ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O
439 ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C
440 ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C
441 ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C
442 ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C
443 ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N
444 ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N
445 ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C
446 ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C
447 ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O
448 ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C
449 ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C
450 ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C
451 ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N
452 ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C
453 ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N
454 ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N
455 ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N
456 ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C
457 ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C
458 ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O
459 ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C
460 ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C
461 ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N
462 ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C
463 ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C
464 ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N
465 ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N
466 ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C
467 ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C
468 ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O
469 ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N
470 ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C
471 ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C
472 ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O
473 ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C
474 ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C
475 ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C
476 ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C
477 ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N
478 ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C
479 ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C
480 ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O
481 ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C
482 ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C
483 ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O
484 ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O
485 ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N
486 ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C
487 ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C
488 ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O
489 ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C
490 ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C
491 ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O
492 ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N
493 ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N
494 ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C
495 ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C
496 ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O
497 ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C
498 ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C
499 ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C
500 ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C
501 ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C
502 ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C
503 ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C
504 ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O
505 ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N
506 ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C
507 ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C
508 ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O
509 ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C
510 ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C
511 ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C
512 ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N
513 ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C
514 ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N
515 ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N
516 ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N
517 ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C
518 ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C
519 ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O
520 ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N
521 ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C
522 ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C
523 ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O
524 ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C
525 ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C
526 ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C
527 ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C
528 ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C
529 ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C
530 ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C
531 ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O
532 ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N
533 ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C
534 ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C
535 ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O
536 ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C
537 ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O
538 ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N
539 ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C
540 ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C
541 ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O
542 ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C
543 ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C
544 ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C
545 ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C
546 ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N
547 ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C
548 ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C
549 ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O
550 ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N
551 ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C
552 ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C
553 ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O
554 ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C
555 ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C
556 ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O
557 ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N
558 ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N
559 ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C
560 ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C
561 ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O
562 ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C
563 ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C
564 ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C
565 ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C
566 ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N
567 ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C
568 ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C
569 ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C
570 ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C
571 ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C
572 ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N
573 ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C
574 ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C
575 ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O
576 ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C
577 ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C
578 ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C
579 ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N
580 ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C
581 ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C
582 ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O
583 ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C
584 ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S
585 ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N
586 ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C
587 ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C
588 ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O
589 ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C
590 ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N
591 ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C
592 ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C
593 ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O
594 ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C
595 ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N
596 ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C
597 ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C
598 ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O
599 ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C
600 ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C
601 ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C
602 ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C
603 ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N
604 ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N
605 ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C
606 ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C
607 ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O
608 ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C
609 ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C
610 ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C
611 ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C
612 ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C
613 ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C
614 ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C
615 ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N
616 ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C
617 ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C
618 ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O
619 ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C
620 ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C
621 ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C
622 ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O
623 ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O
624 ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N
625 ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C
626 ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C
627 ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O
628 ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C
629 ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O
630 ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N
631 ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C
632 ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C
633 ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O
634 ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C
635 ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C
636 ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O
637 ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N
638 ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N
639 ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C
640 ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C
641 ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O
642 ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C
643 ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C
644 ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C
645 ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C
646 ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C
647 ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C
648 ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C
649 ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N
650 ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C
651 ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C
652 ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O
653 ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C
654 ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C
655 ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O
656 ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N
657 ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N
658 ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C
659 ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C
660 ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O
661 ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C
662 ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O
663 ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C
664 ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N
665 ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C
666 ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C
667 ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O
668 ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C
669 ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C
670 ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C
671 ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O
672 ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N
673 ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N
674 ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C
675 ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C
676 ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O
677 ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C
678 ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N
679 ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C
680 ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C
681 ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O
682 ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C
683 ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O
684 ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C
685 ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N
686 ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C
687 ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C
688 ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O
689 ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C
690 ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C
691 ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O
692 ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N
693 ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N
694 ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C
695 ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C
696 ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O
697 ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C
698 ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C
699 ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C
700 ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N
701 ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C
702 ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N
703 ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N
704 ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N
705 ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C
706 ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C
707 ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O
708 ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C
709 ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C
710 ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O
711 ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N
712 ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N
713 ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C
714 ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C
715 ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O
716 ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C
717 ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O
718 ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C
719 ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N
720 ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C
721 ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C
722 ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O
723 ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C
724 ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C
725 ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O
726 ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O
727 ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N
728 ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C
729 ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C
730 ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O
731 ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N
732 ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C
733 ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C
734 ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O
735 ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C
736 ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O
737 ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N
738 ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C
739 ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C
740 ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O
741 ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C
742 ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O
743 ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C
744 ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N
745 ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C
746 ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C
747 ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O
748 ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C
749 ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C
750 ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O
751 ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O
752 ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N
753 ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C
754 ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C
755 ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O
756 ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C
757 ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C
758 ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C
759 ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C
760 ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C
761 ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C
762 ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C
763 ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O
764 ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N
765 ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C
766 ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C
767 ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O
768 ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N
769 ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C
770 ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C
771 ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O
772 ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C
773 ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C
774 ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C
775 ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C
776 ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N
777 ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C
778 ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C
779 ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O
780 ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C
781 ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C
782 ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C
783 ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C
784 ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N
785 ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C
786 ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C
787 ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O
788 ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C
789 ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C
790 ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C
791 ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O
792 ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N
793 ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N
794 ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C
795 ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C
796 ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O
797 ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C
798 ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C
799 ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C
800 ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C
801 ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N
802 ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C
803 ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C
804 ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O
805 ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C
806 ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C
807 ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O
808 ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N
809 ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N
810 ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C
811 ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C
812 ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O
813 ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C
814 ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O
815 ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N
816 ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C
817 ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C
818 ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O
819 ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C
820 ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C
821 ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C
822 ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N
823 ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C
824 ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N
825 ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N
826 ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N
827 ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C
828 ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C
829 ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O
830 ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C
831 ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C
832 ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C
833 ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C
834 ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N
835 ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C
836 ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C
837 ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C
838 ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C
839 ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C
840 ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N
841 ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C
842 ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C
843 ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O
844 ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C
845 ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C
846 ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C
847 ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C
848 ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N
849 ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C
850 ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C
851 ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C
852 ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C
853 ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C
854 ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N
855 ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C
856 ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C
857 ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O
858 ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C
859 ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S
860 ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N
861 ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C
862 ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C
863 ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O
864 ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C
865 ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C
866 ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O
867 ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N
868 ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N
869 ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C
870 ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C
871 ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O
872 ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C
873 ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C
874 ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O
875 ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O
876 ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N
877 ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C
878 ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C
879 ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O
880 ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N
881 ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C
882 ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C
883 ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O
884 ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C
885 ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C
886 ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C
887 ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N
888 ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C
889 ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N
890 ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N
891 ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N
892 ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C
893 ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C
894 ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O
895 ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C
896 ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O
897 ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C
898 ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N
899 ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C
900 ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C
901 ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O
902 ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C
903 ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C
904 ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C
905 ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N
906 ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C
907 ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C
908 ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O
909 ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N
910 ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C
911 ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C
912 ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O
913 ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C
914 ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O
915 ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N
916 ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C
917 ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C
918 ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O
919 ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C
920 ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C
921 ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C
922 ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N
923 ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C
924 ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N
925 ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N
926 ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N
927 ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C
928 ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C
929 ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O
930 ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C
931 ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C
932 ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O
933 ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N
934 ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N
935 ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C
936 ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C
937 ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O
938 ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C
939 ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C
940 ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C
941 ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C
942 ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N
943 ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C
944 ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C
945 ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O
946 ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C
947 ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S
948 ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N
949 ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C
950 ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C
951 ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O
952 ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C
953 ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C
954 ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O
955 ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N
956 ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N
957 ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C
958 ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C
959 ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O
960 ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C
961 ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C
962 ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C
963 ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C
964 ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N
965 ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C
966 ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C
967 ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O
968 ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C
969 ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C
970 ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C
971 ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N
972 ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C
973 ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C
974 ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O
975 ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C
976 ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S
977 ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N
978 ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C
979 ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C
980 ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O
981 ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C
982 ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O
983 ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N
984 ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C
985 ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C
986 ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O
987 ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C
988 ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N
989 ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C
990 ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C
991 ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O
992 ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C
993 ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C
994 ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C
995 ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C
996 ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N
997 ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C
998 ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C
999 ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O
1000 ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C
1001 ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C
1002 ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C
1003 ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C
1004 ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N
1005 ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C
1006 ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C
1007 ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O
1008 ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C
1009 ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O
1010 ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N
1011 ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C
1012 ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C
1013 ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O
1014 ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C
1015 ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O
1016 ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N
1017 ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C
1018 ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C
1019 ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O
1020 ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C
1021 ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C
1022 ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O
1023 ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O
1024 ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N
1025 ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C
1026 ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C
1027 ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O
1028 ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C
1029 ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C
1030 ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C
1031 ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C
1032 ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N
1033 ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C
1034 ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C
1035 ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O
1036 ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C
1037 ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O
1038 ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C
1039 ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N
1040 ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C
1041 ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C
1042 ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O
1043 ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C
1044 ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N
1045 ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C
1046 ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C
1047 ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O
1048 ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C
1049 ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O
1050 ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N
1051 ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C
1052 ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C
1053 ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O
1054 ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C
1055 ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C
1056 ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C
1057 ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N
1058 ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C
1059 ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C
1060 ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O
1061 ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C
1062 ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C
1063 ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O
1064 ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N
1065 ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N
1066 ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C
1067 ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C
1068 ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O
1069 ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C
1070 ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S
1071 ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N
1072 ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C
1073 ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C
1074 ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O
1075 ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C
1076 ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N
1077 ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C
1078 ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C
1079 ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O
1080 ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C
1081 ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C
1082 ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C
1083 ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C
1084 ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N
1085 ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N
1086 ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C
1087 ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C
1088 ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O
1089 ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C
1090 ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C
1091 ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C
1092 ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C
1093 ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N
1094 ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N
1095 ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C
1096 ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C
1097 ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O
1098 ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C
1099 ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C
1100 ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C
1101 ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C
1102 ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N
1103 ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C
1104 ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C
1105 ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O
1106 ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C
1107 ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C
1108 ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C
1109 ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N
1110 ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C
1111 ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C
1112 ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O
1113 ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C
1114 ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O
1115 ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N
1116 ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C
1117 ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C
1118 ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O
1119 ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C
1120 ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C
1121 ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O
1122 ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O
1123 ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N
1124 ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C
1125 ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C
1126 ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O
1127 ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N
1128 ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C
1129 ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C
1130 ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O
1131 ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C
1132 ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C
1133 ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O
1134 ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N
1135 ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N
1136 ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C
1137 ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C
1138 ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O
1139 ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N
1140 ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C
1141 ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C
1142 ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O
1143 ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C
1144 ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C
1145 ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S
1146 ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C
1147 ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N
1148 ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C
1149 ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C
1150 ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O
1151 ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C
1152 ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C
1153 ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O
1154 ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N
1155 ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N
1156 ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C
1157 ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C
1158 ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O
1159 ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C
1160 ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N
1161 ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C
1162 ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C
1163 ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O
1164 ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C
1165 ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C
1166 ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C
1167 ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C
1168 ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N
1169 ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C
1170 ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C
1171 ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C
1172 ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C
1173 ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C
1174 ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N
1175 ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C
1176 ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C
1177 ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O
1178 ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C
1179 ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C
1180 ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C
1181 ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N
1182 ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C
1183 ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C
1184 ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O
1185 ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C
1186 ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N
1187 ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C
1188 ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C
1189 ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O
1190 ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C
1191 ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C
1192 ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C
1193 ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C
1194 ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N
1195 ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C
1196 ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C
1197 ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C
1198 ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C
1199 ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C
1200 ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N
1201 ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C
1202 ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C
1203 ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O
1204 ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C
1205 ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C
1206 ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C
1207 ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N
1208 ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C
1209 ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N
1210 ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N
1211 ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N
1212 ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C
1213 ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C
1214 ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O
1215 ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C
1216 ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C
1217 ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O
1218 ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N
1219 ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N
1220 ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C
1221 ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C
1222 ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O
1223 ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C
1224 ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C
1225 ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C
1226 ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N
1227 ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C
1228 ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N
1229 ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N
1230 ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N
1231 ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C
1232 ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C
1233 ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O
1234 ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C
1235 ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S
1236 ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N
1237 ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C
1238 ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C
1239 ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O
1240 ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C
1241 ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C
1242 ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C
1243 ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C
1244 ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N
1245 ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N
1246 ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C
1247 ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C
1248 ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O
1249 ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N
1250 ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C
1251 ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C
1252 ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O
1253 ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C
1254 ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O
1255 ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C
1256 ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N
1257 ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C
1258 ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C
1259 ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O
1260 ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C
1261 ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C
1262 ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O
1263 ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O
1264 ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N
1265 ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C
1266 ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C
1267 ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O
1268 ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C
1269 ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C
1270 ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C
1271 ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N
1272 ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C
1273 ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C
1274 ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O
1275 ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C
1276 ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C
1277 ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C
1278 ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O
1279 ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N
1280 ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N
1281 ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C
1282 ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C
1283 ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O
1284 ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C
1285 ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N
1286 ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C
1287 ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C
1288 ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O
1289 ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C
1290 ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C
1291 ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C
1292 ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C
1293 ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N
1294 ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C
1295 ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C
1296 ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C
1297 ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C
1298 ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C
1299 ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N
1300 ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C
1301 ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C
1302 ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O
1303 ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C
1304 ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C
1305 ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C
1306 ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C
1307 ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N
1308 ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C
1309 ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C
1310 ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O
1311 ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C
1312 ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C
1313 ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C
1314 ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N
1315 ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C
1316 ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N
1317 ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N
1318 ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N
1319 ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C
1320 ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C
1321 ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O
1322 ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N
1323 ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C
1324 ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C
1325 ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O
1326 ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C
1327 ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S
1328 ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N
1329 ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C
1330 ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C
1331 ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O
1332 ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C
1333 ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C
1334 ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C
1335 ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N
1336 ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C
1337 ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N
1338 ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N
1339 ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N
1340 ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C
1341 ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C
1342 ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O
1343 ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C
1344 ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C
1345 ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C
1346 ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C
1347 ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O
1348 TER 1002 LEU A 129
1349 HETATM 1003 O HOH A 130 23.434 40.063 -6.661 1.00 19.48 O
1350 HETATM 1004 O HOH A 131 31.994 26.416 -6.047 0.90 22.43 O
1351 HETATM 1005 O HOH A 132 30.250 13.337 9.787 0.98 20.93 O
1352 HETATM 1006 O HOH A 133 22.384 42.331 -8.165 0.90 21.85 O
1353 HETATM 1007 O HOH A 134 29.239 27.621 -3.670 1.00 17.47 O
1354 HETATM 1008 O HOH A 135 29.464 37.761 -10.492 0.98 20.05 O
1355 HETATM 1009 O HOH A 136 20.807 36.305 -11.082 1.00 18.47 O
1356 HETATM 1010 O HOH A 137 41.318 17.849 -1.378 0.98 20.99 O
1357 HETATM 1011 O HOH A 138 34.697 29.056 -4.039 0.89 22.31 O
1358 HETATM 1012 O HOH A 139 26.871 17.298 13.496 1.00 20.31 O
1359 HETATM 1013 O HOH A 140 32.131 11.050 -5.817 0.97 21.39 O
1360 HETATM 1014 O HOH A 141 23.468 40.040 -2.372 0.91 23.40 O
1361 HETATM 1015 O HOH A 142 21.390 45.524 -11.035 0.96 20.63 O
1362 HETATM 1016 O HOH A 143 34.490 26.578 -5.741 0.75 22.11 O
1363 HETATM 1017 O HOH A 144 16.422 34.139 -3.527 0.91 20.71 O
1364 HETATM 1018 O HOH A 145 21.374 29.926 8.946 0.83 24.21 O
1365 HETATM 1019 O HOH A 146 41.048 12.539 -0.011 0.70 22.71 O
1366 HETATM 1020 O HOH A 147 32.794 35.686 2.558 0.78 20.71 O
1367 HETATM 1021 O HOH A 148 49.648 8.964 6.343 0.83 21.93 O
1368 HETATM 1022 O HOH A 149 14.452 34.901 -13.339 0.69 23.89 O
1369 HETATM 1023 O HOH A 150 22.930 10.839 4.044 0.92 22.02 O
1370 HETATM 1024 O HOH A 151 16.012 18.490 -2.200 0.85 24.37 O
1371 HETATM 1025 O HOH A 152 12.130 21.587 3.044 0.78 24.35 O
1372 HETATM 1026 O HOH A 153 15.684 38.922 -5.813 0.76 24.50 O
1373 HETATM 1027 O HOH A 154 10.652 24.228 3.428 0.80 21.12 O
1374 HETATM 1028 O HOH A 155 44.070 17.975 2.852 0.80 21.64 O
1375 HETATM 1029 O HOH A 156 32.029 13.080 -8.110 0.85 20.63 O
1376 HETATM 1030 O HOH A 157 36.425 19.613 15.174 0.56 23.44 O
1377 HETATM 1031 O HOH A 158 37.941 30.505 -3.686 0.79 21.54 O
1378 HETATM 1032 O HOH A 159 30.710 42.741 -6.289 0.72 22.79 O
1379 HETATM 1033 O HOH A 160 23.922 44.367 -7.653 0.62 22.78 O
1380 HETATM 1034 O HOH A 161 33.829 34.252 0.626 0.73 20.81 O
1381 HETATM 1035 O HOH A 162 29.613 40.730 -9.602 0.78 22.12 O
1382 HETATM 1036 O HOH A 163 23.563 7.995 4.406 0.58 22.93 O
1383 HETATM 1037 O HOH A 164 31.511 42.362 -4.183 0.73 22.01 O
1384 HETATM 1038 O HOH A 165 21.882 29.536 -15.013 0.81 22.04 O
1385 HETATM 1039 O HOH A 166 37.763 20.913 9.782 0.86 21.57 O
1386 HETATM 1040 O HOH A 167 42.338 17.481 5.165 0.65 22.17 O
1387 HETATM 1041 O HOH A 168 23.344 39.739 -4.358 0.72 21.56 O
1388 HETATM 1042 O HOH A 169 22.984 29.224 13.124 0.75 22.56 O
1389 HETATM 1043 O HOH A 170 30.778 7.794 -3.514 0.65 21.58 O
1390 HETATM 1044 O HOH A 171 42.965 14.657 4.991 0.63 23.91 O
1391 HETATM 1045 O HOH A 172 36.927 17.948 -13.093 0.62 23.36 O
1392 HETATM 1046 O HOH A 173 35.412 25.852 -11.575 0.58 23.42 O
1393 HETATM 1047 O HOH A 174 37.428 32.540 -5.787 0.62 21.98 O
1394 HETATM 1048 O HOH A 175 37.317 8.592 7.456 0.64 22.92 O
1395 HETATM 1049 O HOH A 176 9.314 36.705 -11.546 0.69 23.77 O
1396 HETATM 1050 O HOH A 177 39.972 23.760 -2.655 0.86 18.96 O
1397 HETATM 1051 O HOH A 178 22.128 30.274 -0.543 0.76 18.78 O
1398 HETATM 1052 O HOH A 179 22.244 15.813 10.000 0.68 19.66 O
1399 HETATM 1053 O HOH A 180 40.729 9.223 0.292 0.64 20.15 O
1400 HETATM 1054 O HOH A 181 12.500 15.267 4.097 0.56 20.12 O
1401 HETATM 1055 O HOH A 182 20.372 28.618 -2.353 0.64 20.17 O
1402 HETATM 1056 O HOH A 183 22.793 15.462 -6.673 0.63 20.60 O
1403 HETATM 1057 O HOH A 184 23.138 31.809 15.121 0.55 20.90 O
1404 HETATM 1058 O HOH A 185 22.671 38.691 8.245 0.48 21.16 O
1405 HETATM 1059 O HOH A 186 33.966 33.112 6.837 0.59 19.45 O
1406 HETATM 1060 O HOH A 187 19.572 25.423 -1.420 0.53 19.94 O
1407 HETATM 1061 O HOH A 188 14.790 15.672 7.259 0.52 21.22 O
1408 HETATM 1062 O HOH A 189 19.112 28.022 -14.647 0.49 19.83 O
1409 HETATM 1063 O HOH A 190 17.302 39.059 -12.453 0.52 20.14 O
1410 HETATM 1064 O HOH A 191 16.198 14.502 5.577 0.46 20.78 O
1411 HETATM 1065 O HOH A 192 17.345 46.346 -7.080 0.50 18.13 O
1412 HETATM 1066 O HOH A 193 14.992 31.300 -4.242 0.46 17.90 O
1413 HETATM 1067 O HOH A 194 28.196 44.775 -3.148 0.44 18.15 O
1414 HETATM 1068 O HOH A 195 29.479 13.863 -9.107 0.44 18.30 O
1415 HETATM 1069 O HOH A 196 23.613 44.811 2.608 0.45 17.66 O
1416 HETATM 1070 O HOH A 197 40.572 22.184 -6.358 0.42 18.06 O
1417 HETATM 1071 O HOH A 198 12.475 31.860 -6.226 0.47 17.85 O
1418 HETATM 1072 O HOH A 199 16.684 13.594 -5.832 0.31 18.51 O
1419 HETATM 1073 O HOH A 200 27.534 38.059 -12.862 0.48 18.19 O
1420 HETATM 1074 O HOH A 201 25.892 35.973 11.563 0.46 18.15 O
1421 HETATM 1075 O HOH A 202 24.790 25.182 16.063 0.46 17.64 O
1422 HETATM 1076 O HOH A 203 12.580 21.214 5.006 0.51 17.97 O
1423 HETATM 1077 O HOH A 204 19.687 23.750 -4.851 0.37 18.08 O
1424 HETATM 1078 O HOH A 205 27.098 35.956 -12.358 0.39 18.71 O
1425 HETATM 1079 O HOH A 206 37.255 9.634 10.002 0.46 18.39 O
1426 HETATM 1080 O HOH A 207 43.755 23.843 8.038 0.38 17.96 O
1427 CONECT 48 981
1428 CONECT 238 889
1429 CONECT 513 630
1430 CONECT 601 724
1431 CONECT 630 513
1432 CONECT 724 601
1433 CONECT 889 238
1434 CONECT 981 48
1435 MASTER 290 0 0 8 2 0 0 6 1079 1 8 10
1436 END