view test/1kfm.pdb @ 335:0b2f12b9f9a3
Helps refined
author |
Andrei <aba@belozersky.msu.ru> |
date |
Wed, 12 Jan 2011 19:55:00 +0300 |
parents |
|
children |
|
line source
1 HEADER MEMBRANE PROTEIN 21
-NOV-01 1
KFM
2 TITLE CORE SIDE-CHAIN PACKING AND BACKBONE CONFORMATION IN LPP-56
3 TITLE 2
COILED-COIL MUTANTS
5 COMPND 2
MOLECULE: MAJOR OUTER MEMBRANE LIPOPROTEIN;
7 COMPND 4
SYNONYM: MUREIN-LIPOPROTEIN LPP, MUREIN-LIPOPROTEIN LPP;
8 COMPND 5
ENGINEERED: YES;
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,W.CAO,M.LU
20 REVDAT 2 24
-FEB-09 1
KFM 1
VERSN
21 REVDAT 1 28
-JUN-02 1
KFM 0
22 JRNL AUTH J.LIU,W.CAO,M.LU
23 JRNL TITL CORE SIDE-CHAIN PACKING AND BACKBONE CONFORMATION
24 JRNL TITL 2
IN LPP-56
COILED-COIL MUTANTS.
25 JRNL REF J.MOL.BIOL. V. 318 877 2002
26 JRNL REFN ISSN 0022
-2836
28 JRNL DOI 10
.1016
/S0022-2836
(02
)00138
-9
31 REMARK 2
RESOLUTION. 2
.00
ANGSTROMS.
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
39 REMARK 3
REFINEMENT TARGET : ENGH & HUBER
41 REMARK 3
DATA USED IN REFINEMENT.
42 REMARK 3
RESOLUTION RANGE HIGH (ANGSTROMS) : 2
.00
43 REMARK 3
RESOLUTION RANGE LOW (ANGSTROMS) : 25
.26
44 REMARK 3
DATA CUTOFF (SIGMA(F)) : 0
.000
45 REMARK 3
DATA CUTOFF HIGH (ABS(F)) : NULL
46 REMARK 3
DATA CUTOFF LOW (ABS(F)) : NULL
47 REMARK 3
COMPLETENESS (WORKING+TEST) (%) : 97.8
48 REMARK 3
NUMBER OF REFLECTIONS : 2761
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
.260
54 REMARK 3
FREE R VALUE : 0
.288
55 REMARK 3
FREE R VALUE TEST SET SIZE (%) : 9.200
56 REMARK 3
FREE R VALUE TEST SET COUNT : 254
57 REMARK 3
ESTIMATED ERROR OF FREE R VALUE : 0
.018
59 REMARK 3
FIT IN THE HIGHEST RESOLUTION BIN.
60 REMARK 3
TOTAL NUMBER OF BINS USED : 10
61 REMARK 3
BIN RESOLUTION RANGE HIGH (A) : 2
.00
62 REMARK 3
BIN RESOLUTION RANGE LOW (A) : 2
.07
63 REMARK 3
BIN COMPLETENESS (WORKING+TEST) (%) : 97.00
64 REMARK 3
REFLECTIONS IN BIN (WORKING SET) : 267
65 REMARK 3
BIN R VALUE (WORKING SET) : 0
.3530
66 REMARK 3
BIN FREE R VALUE : 0
.3560
67 REMARK 3
BIN FREE R VALUE TEST SET SIZE (%) : 9.00
68 REMARK 3
BIN FREE R VALUE TEST SET COUNT : 25
69 REMARK 3
ESTIMATED ERROR OF BIN FREE R VALUE : 0
.074
71 REMARK 3
NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
72 REMARK 3
PROTEIN ATOMS : 363
73 REMARK 3
NUCLEIC ACID ATOMS : 0
74 REMARK 3
HETEROGEN ATOMS : 0
75 REMARK 3
SOLVENT ATOMS : 19
78 REMARK 3
FROM WILSON PLOT (A**2
) : 39
.00
79 REMARK 3
MEAN B VALUE (OVERALL, A**2
) : 43
.60
80 REMARK 3
OVERALL ANISOTROPIC B VALUE.
81 REMARK 3
B11 (A**2
) : 1
.61000
82 REMARK 3
B22 (A**2
) : 1
.61000
83 REMARK 3
B33 (A**2
) : -3
.21000
84 REMARK 3
B12 (A**2
) : 4
.24000
85 REMARK 3
B13 (A**2
) : 0
.00000
86 REMARK 3
B23 (A**2
) : 0
.00000
88 REMARK 3
ESTIMATED COORDINATE ERROR.
89 REMARK 3
ESD FROM LUZZATI PLOT (A) : 0
.29
90 REMARK 3
ESD FROM SIGMAA (A) : 0
.21
91 REMARK 3
LOW RESOLUTION CUTOFF (A) : 5
.00
93 REMARK 3
CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
94 REMARK 3
ESD FROM C-V LUZZATI PLOT (A) : 0
.31
95 REMARK 3
ESD FROM C-V SIGMAA (A) : 0
.24
97 REMARK 3
RMS DEVIATIONS FROM IDEAL VALUES.
98 REMARK 3
BOND LENGTHS (A) : 0
.004
99 REMARK 3
BOND ANGLES (DEGREES) : 0
.90
100 REMARK 3
DIHEDRAL ANGLES (DEGREES) : 16
.10
101 REMARK 3
IMPROPER ANGLES (DEGREES) : 0
.63
103 REMARK 3
ISOTROPIC THERMAL MODEL : RESTRAINED
105 REMARK 3
ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
106 REMARK 3
MAIN-CHAIN BOND (A**2
) : 1
.510
; 1
.500
107 REMARK 3
MAIN-CHAIN ANGLE (A**2
) : 2
.380
; 2
.000
108 REMARK 3
SIDE-CHAIN BOND (A**2
) : 2
.660
; 2
.000
109 REMARK 3
SIDE-CHAIN ANGLE (A**2
) : 4
.170
; 2
.500
111 REMARK 3
BULK SOLVENT MODELING.
112 REMARK 3
METHOD USED : FLAT MODEL
114 REMARK 3
BSOL : 62
.15
116 REMARK 3
NCS MODEL : NULL
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
122 REMARK 3
PARAMETER FILE 1
: PROTEIN_REP.PARAM
123 REMARK 3
PARAMETER FILE 2
: WATER_REP.PARAM
124 REMARK 3
PARAMETER FILE 3
: NULL
125 REMARK 3
TOPOLOGY FILE 1
: PROTEIN.TOP
126 REMARK 3
TOPOLOGY FILE 2
: WATER.TOP
127 REMARK 3
TOPOLOGY FILE 3
: NULL
129 REMARK 3
OTHER REFINEMENT REMARKS: NULL
131 REMARK 4 1
KFM COMPLIES WITH FORMAT V. 3
.15
, 01
-DEC-08
133 REMARK 100
THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03
-DEC-01
.
134 REMARK 100
THE RCSB ID CODE IS RCSB014904.
136 REMARK 200
EXPERIMENTAL DETAILS
137 REMARK 200
EXPERIMENT TYPE : X-RAY DIFFRACTION
138 REMARK 200
DATE OF DATA COLLECTION : 12
-OCT-01
139 REMARK 200
TEMPERATURE (KELVIN) : 95
141 REMARK 200
NUMBER OF CRYSTALS USED : 1
143 REMARK 200
SYNCHROTRON (Y/N) : Y
144 REMARK 200
RADIATION SOURCE : NSLS
145 REMARK 200
BEAMLINE : X25
146 REMARK 200
X-RAY GENERATOR MODEL : NULL
147 REMARK 200
MONOCHROMATIC OR LAUE (M/L) : M
148 REMARK 200
WAVELENGTH OR RANGE (A) : 1
.1000
149 REMARK 200
MONOCHROMATOR : GRAPHITE
150 REMARK 200
OPTICS : NULL
152 REMARK 200
DETECTOR TYPE : CCD
153 REMARK 200
DETECTOR MANUFACTURER : BRANDEIS - B4
154 REMARK 200
INTENSITY-INTEGRATION SOFTWARE : MADNES
155 REMARK 200
DATA SCALING SOFTWARE : SCALEPACK
157 REMARK 200
NUMBER OF UNIQUE REFLECTIONS : 2761
158 REMARK 200
RESOLUTION RANGE HIGH (A) : 2
.000
159 REMARK 200
RESOLUTION RANGE LOW (A) : 50
.000
160 REMARK 200
REJECTION CRITERIA (SIGMA(I)) : 0
.000
163 REMARK 200
COMPLETENESS FOR RANGE (%) : 97.8
164 REMARK 200
DATA REDUNDANCY : 3
.800
165 REMARK 200
R MERGE (I) : 0
.04200
166 REMARK 200
R SYM (I) : NULL
167 REMARK 200
<I/SIGMA(I)> FOR THE DATA SET : 17
.5000
169 REMARK 200
IN THE HIGHEST RESOLUTION SHELL.
170 REMARK 200
HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2
.00
171 REMARK 200
HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2
.07
172 REMARK 200
COMPLETENESS FOR SHELL (%) : 97.0
173 REMARK 200
DATA REDUNDANCY IN SHELL : 3
.90
174 REMARK 200
R MERGE FOR SHELL (I) : 0
.09700
175 REMARK 200
R SYM FOR SHELL (I) : NULL
176 REMARK 200
<I/SIGMA(I)> FOR SHELL : 12
.300
178 REMARK 200
DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
179 REMARK 200
METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
180 REMARK 200
SOFTWARE USED: AMORE
181 REMARK 200
STARTING MODEL: PDB ENTRY 1
EQ7
183 REMARK 200
REMARK: NULL
186 REMARK 280
SOLVENT CONTENT, VS (%): NULL
187 REMARK 280
MATTHEWS COEFFICIENT, VM (ANGSTROMS**3
/DA): NULL
189 REMARK 280
CRYSTALLIZATION CONDITIONS: PEG 4000
, SODIUM CACODYLATE,
190 REMARK 280
AMMONIUM ACETATE, PH 6
.8
, VAPOR DIFFUSION, HANGING DROP AT
191 REMARK 280 293
K, VAPOR DIFFUSION, HANGING DROP
193 REMARK 290
CRYSTALLOGRAPHIC SYMMETRY
194 REMARK 290
SYMMETRY OPERATORS FOR SPACE GROUP: H 3
196 REMARK 290
SYMOP SYMMETRY
197 REMARK 290
NNNMMM OPERATOR
198 REMARK 290 1555
X,Y,Z
199 REMARK 290 2555
-Y,X-Y,Z
200 REMARK 290 3555
-X+Y,-X,Z
201 REMARK 290 4555
X+2
/3
,Y+1
/3
,Z+1
/3
202 REMARK 290 5555
-Y+2
/3
,X-Y+1
/3
,Z+1
/3
203 REMARK 290 6555
-X+Y+2
/3
,-X+1
/3
,Z+1
/3
204 REMARK 290 7555
X+1
/3
,Y+2
/3
,Z+2
/3
205 REMARK 290 8555
-Y+1
/3
,X-Y+2
/3
,Z+2
/3
206 REMARK 290 9555
-X+Y+1
/3
,-X+2
/3
,Z+2
/3
208 REMARK 290
WHERE NNN -> OPERATOR NUMBER
209 REMARK 290
MMM -> TRANSLATION VECTOR
211 REMARK 290
CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
212 REMARK 290
THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
213 REMARK 290
RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
214 REMARK 290
RELATED MOLECULES.
215 REMARK 290
SMTRY1 1 1
.000000 0
.000000 0
.000000 0
.00000
216 REMARK 290
SMTRY2 1 0
.000000 1
.000000 0
.000000 0
.00000
217 REMARK 290
SMTRY3 1 0
.000000 0
.000000 1
.000000 0
.00000
218 REMARK 290
SMTRY1 2
-0
.500000
-0
.866025 0
.000000 0
.00000
219 REMARK 290
SMTRY2 2 0
.866025
-0
.500000 0
.000000 0
.00000
220 REMARK 290
SMTRY3 2 0
.000000 0
.000000 1
.000000 0
.00000
221 REMARK 290
SMTRY1 3
-0
.500000 0
.866025 0
.000000 0
.00000
222 REMARK 290
SMTRY2 3
-0
.866025
-0
.500000 0
.000000 0
.00000
223 REMARK 290
SMTRY3 3 0
.000000 0
.000000 1
.000000 0
.00000
224 REMARK 290
SMTRY1 4 1
.000000 0
.000000 0
.000000 18
.52850
225 REMARK 290
SMTRY2 4 0
.000000 1
.000000 0
.000000 10
.69743
226 REMARK 290
SMTRY3 4 0
.000000 0
.000000 1
.000000 27
.30400
227 REMARK 290
SMTRY1 5
-0
.500000
-0
.866025 0
.000000 18
.52850
228 REMARK 290
SMTRY2 5 0
.866025
-0
.500000 0
.000000 10
.69743
229 REMARK 290
SMTRY3 5 0
.000000 0
.000000 1
.000000 27
.30400
230 REMARK 290
SMTRY1 6
-0
.500000 0
.866025 0
.000000 18
.52850
231 REMARK 290
SMTRY2 6
-0
.866025
-0
.500000 0
.000000 10
.69743
232 REMARK 290
SMTRY3 6 0
.000000 0
.000000 1
.000000 27
.30400
233 REMARK 290
SMTRY1 7 1
.000000 0
.000000 0
.000000 0
.00000
234 REMARK 290
SMTRY2 7 0
.000000 1
.000000 0
.000000 21
.39487
235 REMARK 290
SMTRY3 7 0
.000000 0
.000000 1
.000000 54
.60800
236 REMARK 290
SMTRY1 8
-0
.500000
-0
.866025 0
.000000 0
.00000
237 REMARK 290
SMTRY2 8 0
.866025
-0
.500000 0
.000000 21
.39487
238 REMARK 290
SMTRY3 8 0
.000000 0
.000000 1
.000000 54
.60800
239 REMARK 290
SMTRY1 9
-0
.500000 0
.866025 0
.000000 0
.00000
240 REMARK 290
SMTRY2 9
-0
.866025
-0
.500000 0
.000000 21
.39487
241 REMARK 290
SMTRY3 9 0
.000000 0
.000000 1
.000000 54
.60800
243 REMARK 290
REMARK: NULL
245 REMARK 300
BIOMOLECULE: 1
246 REMARK 300
SEE REMARK 350
FOR THE AUTHOR PROVIDED AND/OR PROGRAM
247 REMARK 300
GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
248 REMARK 300
THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
249 REMARK 300
BURIED SURFACE AREA.
250 REMARK 300
REMARK: THE BIOLOGICAL ASSEMBLY IS A TRIMER GENERATED FROM THE
251 REMARK 300
MONOMER BY THE THREE FOLD AXIS.
253 REMARK 350
COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
254 REMARK 350
BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
255 REMARK 350
MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
256 REMARK 350
GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
257 REMARK 350
CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
259 REMARK 350
BIOMOLECULE: 1
260 REMARK 350
AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC
261 REMARK 350
APPLY THE FOLLOWING TO CHAINS: A
262 REMARK 350
BIOMT1 1 1
.000000 0
.000000 0
.000000 0
.00000
263 REMARK 350
BIOMT2 1 0
.000000 1
.000000 0
.000000 0
.00000
264 REMARK 350
BIOMT3 1 0
.000000 0
.000000 1
.000000 0
.00000
265 REMARK 350
BIOMT1 2
-0
.500000
-0
.866025 0
.000000 55
.58550
266 REMARK 350
BIOMT2 2 0
.866025
-0
.500000 0
.000000
-32
.09230
267 REMARK 350
BIOMT3 2 0
.000000 0
.000000 1
.000000 0
.00000
268 REMARK 350
BIOMT1 3
-0
.500000 0
.866025 0
.000000 55
.58550
269 REMARK 350
BIOMT2 3
-0
.866025
-0
.500000 0
.000000 32
.09230
270 REMARK 350
BIOMT3 3 0
.000000 0
.000000 1
.000000 0
.00000
272 REMARK 465
MISSING RESIDUES
273 REMARK 465
THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
274 REMARK 465
EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
275 REMARK 465
IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
277 REMARK 465
M RES C SSSEQI
285 REMARK 470
MISSING ATOM
286 REMARK 470
THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER;
287 REMARK 470
RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
288 REMARK 470
I=INSERTION CODE):
289 REMARK 470
M RES CSSEQI ATOMS
290 REMARK 470
ASN A 3
CG OD1 ND2
291 REMARK 470
ASP A 12
CG OD1 OD2
292 REMARK 470
GLN A 14
CG CD OE1 NE2
294 REMARK 900
RELATED ENTRIES
295 REMARK 900
RELATED ID: 1
EQ7 RELATED DB: PDB
296 REMARK 900
THE WILD TYPE PROTEIN STRUCTURE
297 REMARK 900
RELATED ID: 1
JCB RELATED DB: PDB
298 REMARK 900
THE STRUCTURE OF THE SAME SEQUENCE REFINED AT A LOWER
300 REMARK 900
RELATED ID: 1
KFN RELATED DB: PDB
301 REMARK 900
MUTANT OF 1
EQ7
302 DBREF 1
KFM A 1 56
UNP P69776 LPP_ECOLI 22 77
303 SEQADV 1
KFM ALA A 30
UNP P69776 MET 51
ENGINEERED
304 SEQADV 1
KFM ALA A 34
UNP P69776 VAL 55
ENGINEERED
305 SEQRES 1
A 56
SER SER ASN ALA LYS ILE ASP GLN LEU SER SER ASP VAL
306 SEQRES 2
A 56
GLN THR LEU ASN ALA LYS VAL ASP GLN LEU SER ASN ASP
307 SEQRES 3
A 56
VAL ASN ALA ALA ARG SER ASP ALA GLN ALA ALA LYS ASP
308 SEQRES 4
A 56
ASP ALA ALA ARG ALA ASN GLN ARG LEU ASP ASN MET ALA
309 SEQRES 5
A 56
THR LYS TYR ARG
310 FORMUL 2
HOH *19
(H2 O)
311 HELIX 1 1
SER A 2
ASN A 50 1 49
312 CRYST1 37
.057 37
.057 81
.912 90
.00 90
.00 120
.00
H 3 9
313 ORIGX1 1
.000000 0
.000000 0
.000000 0
.00000
314 ORIGX2 0
.000000 1
.000000 0
.000000 0
.00000
315 ORIGX3 0
.000000 0
.000000 1
.000000 0
.00000
316 SCALE1 0
.026985 0
.015580 0
.000000 0
.00000
317 SCALE2 0
.000000 0
.031160 0
.000000 0
.00000
318 SCALE3 0
.000000 0
.000000 0
.012208 0
.00000
319 ATOM 1
N SER A 2 42
.312 3
.607 38
.680 1
.00 60
.07
N
320 ATOM 2
CA SER A 2 41
.475 2
.912 37
.661 1
.00 59
.34
C
321 ATOM 3
C SER A 2 40
.549 3
.869 36
.903 1
.00 58
.86
C
322 ATOM 4
O SER A 2 40
.011 3
.520 35
.855 1
.00 58
.04
O
323 ATOM 5
CB SER A 2 40
.648 1
.807 38
.332 1
.00 60
.00
C
324 ATOM 6
OG SER A 2 40
.103 2
.244 39
.570 1
.00 60
.97
O
325 ATOM 7
N ASN A 3 40
.372 5
.078 37
.425 1
.00 58
.19
N
326 ATOM 8
CA ASN A 3 39
.503 6
.057 36
.777 1
.00 56
.34
C
327 ATOM 9
C ASN A 3 40
.091 6
.553 35
.456 1
.00 55
.52
C
328 ATOM 10
O ASN A 3 39
.397 6
.612 34
.437 1
.00 53
.57
O
329 ATOM 11
CB ASN A 3 39
.260 7
.246 37
.711 1
.00 57
.41
C
330 ATOM 12
N ALA A 4 41
.372 6
.909 35
.481 1
.00 54
.17
N
331 ATOM 13
CA ALA A 4 42
.051 7
.410 34
.292 1
.00 53
.88
C
332 ATOM 14
C ALA A 4 42
.139 6
.342 33
.204 1
.00 53
.23
C
333 ATOM 15
O ALA A 4 41
.975 6
.635 32
.021 1
.00 52
.43
O
334 ATOM 16
CB ALA A 4 43
.438 7
.900 34
.660 1
.00 53
.56
C
335 ATOM 17
N LYS A 5 42
.394 5
.103 33
.616 1
.00 53
.13
N
336 ATOM 18
CA LYS A 5 42
.499 3
.979 32
.690 1
.00 51
.43
C
337 ATOM 19
C LYS A 5 41
.230 3
.850 31
.848 1
.00 50
.61
C
338 ATOM 20
O LYS A 5 41
.291 3
.637 30
.637 1
.00 50
.14
O
339 ATOM 21
CB LYS A 5 42
.716 2
.683 33
.473 1
.00 54
.37
C
340 ATOM 22
CG LYS A 5 42
.792 1
.440 32
.606 1
.00 56
.77
C
341 ATOM 23
CD LYS A 5 44
.144 1
.311 31
.921 1
.00 58
.93
C
342 ATOM 24
CE LYS A 5 45
.227 0
.946 32
.922 1
.00 59
.76
C
343 ATOM 25
NZ LYS A 5 46
.520 0
.641 32
.259 1
.00 61
.61
N
344 ATOM 26
N ILE A 6 40
.082 3
.985 32
.502 1
.00 48
.29
N
345 ATOM 27
CA ILE A 6 38
.789 3
.871 31
.841 1
.00 46
.88
C
346 ATOM 28
C ILE A 6 38
.462 5
.063 30
.940 1
.00 46
.99
C
347 ATOM 29
O ILE A 6 37
.828 4
.913 29
.892 1
.00 44
.24
O
348 ATOM 30
CB ILE A 6 37
.668 3
.710 32
.883 1
.00 47
.74
C
349 ATOM 31
CG1 ILE A 6 37
.943 2
.468 33
.735 1
.00 49
.74
C
350 ATOM 32
CG2 ILE A 6 36
.317 3
.610 32
.195 1
.00 48
.53
C
351 ATOM 33
CD1 ILE A 6 36
.891 2
.194 34
.792 1
.00 51
.05
C
352 ATOM 34
N ASP A 7 38
.881 6
.255 31
.339 1
.00 47
.06
N
353 ATOM 35
CA ASP A 7 38
.592 7
.404 30
.504 1
.00 48
.63
C
354 ATOM 36
C ASP A 7 39
.556 7
.484 29
.328 1
.00 46
.66
C
355 ATOM 37
O ASP A 7 39
.320 8
.223 28
.375 1
.00 47
.36
O
356 ATOM 38
CB ASP A 7 38
.589 8
.681 31
.338 1
.00 51
.70
C
357 ATOM 39
CG ASP A 7 37
.365 8
.773 32
.232 1
.00 53
.80
C
358 ATOM 40
OD1 ASP A 7 36
.232 8
.751 31
.700 1
.00 55
.73
O
359 ATOM 41
OD2 ASP A 7 37
.530 8
.859 33
.465 1
.00 57
.34
O
360 ATOM 42
N GLN A 8 40
.638 6
.712 29
.389 1
.00 46
.13
N
361 ATOM 43
CA GLN A 8 41
.586 6
.672 28
.280 1
.00 45
.21
C
362 ATOM 44
C GLN A 8 40
.928 5
.727 27
.273 1
.00 43
.76
C
363 ATOM 45
O GLN A 8 41
.036 5
.894 26
.056 1
.00 40
.68
O
364 ATOM 46
CB GLN A 8 42
.932 6
.094 28
.722 1
.00 48
.47
C
365 ATOM 47
CG GLN A 8 43
.947 5
.965 27
.594 1
.00 51
.00
C
366 ATOM 48
CD GLN A 8 44
.616 7
.283 27
.238 1
.00 55
.95
C
367 ATOM 49
OE1 GLN A 8 43
.949 8
.283 26
.962 1
.00 58
.34
O
368 ATOM 50
NE2 GLN A 8 45
.944 7
.287 27
.237 1
.00 55
.76
N
369 ATOM 51
N LEU A 9 40
.237 4
.727 27
.803 1
.00 41
.22
N
370 ATOM 52
CA LEU A 9 39
.536 3
.763 26
.967 1
.00 42
.16
C
371 ATOM 53
C LEU A 9 38
.336 4
.440 26
.320 1
.00 40
.27
C
372 ATOM 54
O LEU A 9 38
.118 4
.297 25
.124 1
.00 37
.87
O
373 ATOM 55
CB LEU A 9 39
.070 2
.574 27
.801 1
.00 43
.31
C
374 ATOM 56
CG LEU A 9 40
.186 1
.733 28
.418 1
.00 46
.66
C
375 ATOM 57
CD1 LEU A 9 39
.580 0
.604 29
.242 1
.00 47
.87
C
376 ATOM 58
CD2 LEU A 9 41
.073 1
.184 27
.313 1
.00 48
.08
C
377 ATOM 59
N SER A 10 37
.561 5
.172 27
.118 1
.00 41
.39
N
378 ATOM 60
CA SER A 10 36
.387 5
.880 26
.612 1
.00 42
.69
C
379 ATOM 61
C SER A 10 36
.785 6
.718 25
.406 1
.00 42
.80
C
380 ATOM 62
O SER A 10 36
.114 6
.692 24
.377 1
.00 42
.68
O
381 ATOM 63
CB SER A 10 35
.799 6
.795 27
.689 1
.00 42
.81
C
382 ATOM 64
OG SER A 10 35
.291 6
.049 28
.780 1
.00 48
.23
O
383 ATOM 65
N SER A 11 37
.886 7
.454 25
.548 1
.00 43
.67
N
384 ATOM 66
CA SER A 11 38
.411 8
.301 24
.485 1
.00 44
.33
C
385 ATOM 67
C SER A 11 38
.813 7
.464 23
.279 1
.00 43
.58
C
386 ATOM 68
O SER A 11 38
.421 7
.767 22
.158 1
.00 44
.57
O
387 ATOM 69
CB SER A 11 39
.635 9
.084 24
.978 1
.00 46
.35
C
388 ATOM 70
OG SER A 11 39
.308 9
.956 26
.047 1
.00 50
.42
O
389 ATOM 71
N ASP A 12 39
.602 6
.417 23
.514 1
.00 40
.75
N
390 ATOM 72
CA ASP A 12 40
.054 5
.544 22
.442 1
.00 40
.59
C
391 ATOM 73
C ASP A 12 38
.878 5
.010 21
.637 1
.00 41
.09
C
392 ATOM 74
O ASP A 12 38
.903 5
.035 20
.408 1
.00 41
.15
O
393 ATOM 75
CB ASP A 12 40
.857 4
.369 23
.007 1
.00 42
.94
C
394 ATOM 76
N VAL A 13 37
.854 4
.528 22
.335 1
.00 39
.47
N
395 ATOM 77
CA VAL A 13 36
.668 3
.993 21
.676 1
.00 39
.43
C
396 ATOM 78
C VAL A 13 35
.957 5
.089 20
.880 1
.00 41
.30
C
397 ATOM 79
O VAL A 13 35
.424 4
.829 19
.804 1
.00 40
.94
O
398 ATOM 80
CB VAL A 13 35
.674 3
.396 22
.702 1
.00 39
.55
C
399 ATOM 81
CG1 VAL A 13 34
.372 2
.997 22
.003 1
.00 39
.08
C
400 ATOM 82
CG2 VAL A 13 36
.296 2
.189 23
.389 1
.00 36
.36
C
401 ATOM 83
N GLN A 14 35
.944 6
.309 21
.416 1
.00 41
.58
N
402 ATOM 84
CA GLN A 14 35
.299 7
.429 20
.733 1
.00 44
.48
C
403 ATOM 85
C GLN A 14 36
.023 7
.726 19
.424 1
.00 44
.95
C
404 ATOM 86
O GLN A 14 35
.392 7
.923 18
.385 1
.00 45
.35
O
405 ATOM 87
CB GLN A 14 35
.317 8
.679 21
.616 1
.00 45
.35
C
406 ATOM 88
N THR A 15 37
.350 7
.759 19
.494 1
.00 44
.62
N
407 ATOM 89
CA THR A 15 38
.195 8
.019 18
.334 1
.00 46
.25
C
408 ATOM 90
C THR A 15 38
.013 6
.932 17
.284 1
.00 45
.71
C
409 ATOM 91
O THR A 15 37
.876 7
.218 16
.097 1
.00 44
.89
O
410 ATOM 92
CB THR A 15 39
.684 8
.063 18
.734 1
.00 46
.52
C
411 ATOM 93
OG1 THR A 15 39
.923 9
.210 19
.556 1
.00 49
.82
O
412 ATOM 94
CG2 THR A 15 40
.575 8
.123 17
.501 1
.00 49
.17
C
413 ATOM 95
N LEU A 16 38
.023 5
.681 17
.730 1
.00 45
.76
N
414 ATOM 96
CA LEU A 16 37
.851 4
.553 16
.829 1
.00 45
.55
C
415 ATOM 97
C LEU A 16 36
.506 4
.642 16
.117 1
.00 44
.75
C
416 ATOM 98
O LEU A 16 36
.411 4
.381 14
.918 1
.00 44
.17
O
417 ATOM 99
CB LEU A 16 37
.947 3
.240 17
.608 1
.00 44
.90
C
418 ATOM 100
CG LEU A 16 39
.320 2
.982 18
.232 1
.00 46
.75
C
419 ATOM 101
CD1 LEU A 16 39
.282 1
.708 19
.071 1
.00 45
.27
C
420 ATOM 102
CD2 LEU A 16 40
.364 2
.875 17
.128 1
.00 47
.83
C
421 ATOM 103
N ASN A 17 35
.472 5
.017 16
.861 1
.00 44
.17
N
422 ATOM 104
CA ASN A 17 34
.132 5
.145 16
.305 1
.00 45
.86
C
423 ATOM 105
C ASN A 17 34
.140 6
.118 15
.127 1
.00 45
.47
C
424 ATOM 106
O ASN A 17 33
.590 5
.827 14
.069 1
.00 44
.04
O
425 ATOM 107
CB ASN A 17 33
.163 5
.620 17
.391 1
.00 47
.57
C
426 ATOM 108
CG ASN A 17 32
.125 4
.569 17
.744 1
.00 51
.15
C
427 ATOM 109
OD1 ASN A 17 31
.226 4
.278 16
.955 1
.00 52
.49
O
428 ATOM 110
ND2 ASN A 17 32
.251 3
.989 18
.930 1
.00 52
.38
N
429 ATOM 111
N ALA A 18 34
.787 7
.262 15
.316 1
.00 44
.71
N
430 ATOM 112
CA ALA A 18 34
.886 8
.276 14
.277 1
.00 45
.40
C
431 ATOM 113
C ALA A 18 35
.663 7
.738 13
.079 1
.00 45
.45
C
432 ATOM 114
O ALA A 18 35
.343 8
.046 11
.931 1
.00 44
.74
O
433 ATOM 115
CB ALA A 18 35
.575 9
.522 14
.834 1
.00 45
.73
C
434 ATOM 116
N LYS A 19 36
.683 6
.931 13
.347 1
.00 46
.31
N
435 ATOM 117
CA LYS A 19 37
.493 6
.361 12
.279 1
.00 47
.51
C
436 ATOM 118
C LYS A 19 36
.738 5
.310 11
.484 1
.00 47
.31
C
437 ATOM 119
O LYS A 19 36
.917 5
.191 10
.274 1
.00 46
.23
O
438 ATOM 120
CB LYS A 19 38
.768 5
.730 12
.840 1
.00 47
.96
C
439 ATOM 121
CG LYS A 19 39
.934 6
.693 12
.979 1
.00 50
.40
C
440 ATOM 122
CD LYS A 19 41
.240 5
.945 13
.205 1
.00 52
.41
C
441 ATOM 123
CE LYS A 19 41
.520 4
.961 12
.077 1
.00 54
.42
C
442 ATOM 124
NZ LYS A 19 41
.508 5
.614 10
.736 1
.00 56
.90
N
443 ATOM 125
N VAL A 20 35
.904 4
.537 12
.169 1
.00 47
.77
N
444 ATOM 126
CA VAL A 20 35
.139 3
.496 11
.503 1
.00 48
.20
C
445 ATOM 127
C VAL A 20 33
.965 4
.070 10
.710 1
.00 49
.23
C
446 ATOM 128
O VAL A 20 33
.608 3
.538 9
.662 1
.00 50
.16
O
447 ATOM 129
CB VAL A 20 34
.624 2
.453 12
.515 1
.00 48
.43
C
448 ATOM 130
CG1 VAL A 20 33
.819 1
.385 11
.796 1
.00 47
.98
C
449 ATOM 131
CG2 VAL A 20 35
.803 1
.807 13
.235 1
.00 47
.79
C
450 ATOM 132
N ASP A 21 33
.365 5
.149 11
.202 1
.00 49
.97
N
451 ATOM 133
CA ASP A 21 32
.246 5
.768 10
.490 1
.00 52
.04
C
452 ATOM 134
C ASP A 21 32
.723 6
.359 9
.172 1
.00 51
.81
C
453 ATOM 135
O ASP A 21 32
.095 6
.172 8
.130 1
.00 52
.11
O
454 ATOM 136
CB ASP A 21 31
.603 6
.887 11
.314 1
.00 53
.33
C
455 ATOM 137
CG ASP A 21 30
.743 6
.366 12
.445 1
.00 53
.82
C
456 ATOM 138
OD1 ASP A 21 30
.223 5
.234 12
.328 1
.00 56
.51
O
457 ATOM 139
OD2 ASP A 21 30
.573 7
.101 13
.443 1
.00 53
.35
O
458 ATOM 140
N GLN A 22 33
.835 7
.082 9
.227 1
.00 51
.30
N
459 ATOM 141
CA GLN A 22 34
.384 7
.702 8
.033 1
.00 50
.82
C
460 ATOM 142
C GLN A 22 34
.934 6
.675 7
.049 1
.00 48
.21
C
461 ATOM 143
O GLN A 22 34
.896 6
.891 5
.835 1
.00 47
.01
O
462 ATOM 144
CB GLN A 22 35
.446 8
.727 8
.426 1
.00 54
.14
C
463 ATOM 145
CG GLN A 22 34
.921 10
.167 8
.457 1
.00 57
.62
C
464 ATOM 146
CD GLN A 22 33
.443 10
.267 8
.827 1
.00 59
.96
C
465 ATOM 147
OE1 GLN A 22 33
.014 9
.777 9
.872 1
.00 63
.15
O
466 ATOM 148
NE2 GLN A 22 32
.662 10
.910 7
.966 1
.00 63
.03
N
467 ATOM 149
N LEU A 23 35
.423 5
.551 7
.566 1
.00 45
.76
N
468 ATOM 150
CA LEU A 23 35
.926 4
.501 6
.696 1
.00 45
.96
C
469 ATOM 151
C LEU A 23 34
.750 3
.838 5
.988 1
.00 43
.79
C
470 ATOM 152
O LEU A 23 34
.894 3
.321 4
.884 1
.00 43
.43
O
471 ATOM 153
CB LEU A 23 36
.712 3
.466 7
.496 1
.00 46
.72
C
472 ATOM 154
CG LEU A 23 38
.094 3
.950 7
.942 1
.00 48
.26
C
473 ATOM 155
CD1 LEU A 23 38
.787 2
.868 8
.758 1
.00 47
.77
C
474 ATOM 156
CD2 LEU A 23 38
.920 4
.318 6
.714 1
.00 46
.82
C
475 ATOM 157
N SER A 24 33
.585 3
.857 6
.631 1
.00 42
.94
N
476 ATOM 158
CA SER A 24 32
.383 3
.282 6
.038 1
.00 42
.28
C
477 ATOM 159
C SER A 24 31
.976 4
.141 4
.843 1
.00 40
.69
C
478 ATOM 160
O SER A 24 31
.543 3
.631 3
.810 1
.00 39
.67
O
479 ATOM 161
CB SER A 24 31
.242 3
.250 7
.054 1
.00 44
.10
C
480 ATOM 162
OG SER A 24 30
.014 2
.946 6
.415 1
.00 48
.70
O
481 ATOM 163
N ASN A 25 32
.112 5
.451 4
.991 1
.00 39
.26
N
482 ATOM 164
CA ASN A 25 31
.778 6
.353 3
.904 1
.00 40
.49
C
483 ATOM 165
C ASN A 25 32
.795 6
.149 2
.782 1
.00 39
.83
C
484 ATOM 166
O ASN A 25 32
.444 6
.172 1
.610 1
.00 37
.83
O
485 ATOM 167
CB ASN A 25 31
.797 7
.806 4
.381 1
.00 42
.50
C
486 ATOM 168
CG ASN A 25 30
.641 8
.128 5
.302 1
.00 45
.67
C
487 ATOM 169
OD1 ASN A 25 29
.493 7
.797 5
.009 1
.00 46
.05
O
488 ATOM 170
ND2 ASN A 25 30
.935 8
.785 6
.418 1
.00 47
.21
N
489 ATOM 171
N ASP A 26 34
.054 5
.939 3
.145 1
.00 39
.55
N
490 ATOM 172
CA ASP A 26 35
.086 5
.716 2
.139 1
.00 40
.30
C
491 ATOM 173
C ASP A 26 34
.869 4
.390 1
.410 1
.00 37
.74
C
492 ATOM 174
O ASP A 26 35
.082 4
.309 0
.204 1
.00 35
.43
O
493 ATOM 175
CB ASP A 26 36
.478 5
.727 2
.775 1
.00 44
.72
C
494 ATOM 176
CG ASP A 26 36
.971 7
.130 3
.080 1
.00 50
.45
C
495 ATOM 177
OD1 ASP A 26 36
.960 7
.975 2
.159 1
.00 53
.88
O
496 ATOM 178
OD2 ASP A 26 37
.377 7
.387 4
.233 1
.00 52
.42
O
497 ATOM 179
N VAL A 27 34
.441 3
.361 2
.141 1
.00 35
.55
N
498 ATOM 180
CA VAL A 27 34
.202 2
.045 1
.544 1
.00 36
.56
C
499 ATOM 181
C VAL A 27 33
.005 2
.091 0
.593 1
.00 35
.90
C
500 ATOM 182
O VAL A 27 33
.039 1
.514
-0
.491 1
.00 37
.45
O
501 ATOM 183
CB VAL A 27 33
.909 0
.970 2
.610 1
.00 36
.68
C
502 ATOM 184
CG1 VAL A 27 33
.630
-0
.358 1
.927 1
.00 41
.01
C
503 ATOM 185
CG2 VAL A 27 35
.079 0
.837 3
.571 1
.00 39
.39
C
504 ATOM 186
N ASN A 28 31
.946 2
.764 1
.018 1
.00 34
.91
N
505 ATOM 187
CA ASN A 28 30
.748 2
.893 0
.205 1
.00 35
.95
C
506 ATOM 188
C ASN A 28 31
.104 3
.580
-1
.100 1
.00 34
.85
C
507 ATOM 189
O ASN A 28 30
.644 3
.174
-2
.173 1
.00 36
.34
O
508 ATOM 190
CB ASN A 28 29
.686 3
.711 0
.939 1
.00 37
.60
C
509 ATOM 191
CG ASN A 28 28
.419 3
.858 0
.132 1
.00 39
.88
C
510 ATOM 192
OD1 ASN A 28 27
.678 2
.900
-0
.041 1
.00 43
.47
O
511 ATOM 193
ND2 ASN A 28 28
.176 5
.058
-0
.384 1
.00 39
.87
N
512 ATOM 194
N ALA A 29 31
.930 4
.617
-1
.001 1
.00 34
.21
N
513 ATOM 195
CA ALA A 29 32
.384 5
.385
-2
.154 1
.00 33
.85
C
514 ATOM 196
C ALA A 29 33
.282 4
.571
-3
.088 1
.00 34
.90
C
515 ATOM 197
O ALA A 29 33
.186 4
.688
-4
.308 1
.00 33
.29
O
516 ATOM 198
CB ALA A 29 33
.123 6
.634
-1
.683 1
.00 37
.33
C
517 ATOM 199
N ALA A 30 34
.152 3
.744
-2
.516 1
.00 33
.35
N
518 ATOM 200
CA ALA A 30 35
.049 2
.923
-3
.313 1
.00 33
.37
C
519 ATOM 201
C ALA A 30 34
.256 1
.822
-4
.024 1
.00 32
.85
C
520 ATOM 202
O ALA A 30 34
.575 1
.435
-5
.142 1
.00 32
.73
O
521 ATOM 203
CB ALA A 30 36
.119 2
.309
-2
.417 1
.00 34
.29
C
522 ATOM 204
N ARG A 31 33
.225 1
.326
-3
.350 1
.00 33
.09
N
523 ATOM 205
CA ARG A 31 32
.352 0
.279
-3
.874 1
.00 34
.88
C
524 ATOM 206
C ARG A 31 31
.584 0
.814
-5
.077 1
.00 34
.81
C
525 ATOM 207
O ARG A 31 31
.509 0
.165
-6
.121 1
.00 31
.90
O
526 ATOM 208
CB ARG A 31 31
.377
-0
.151
-2
.776 1
.00 38
.41
C
527 ATOM 209
CG ARG A 31 30
.360
-1
.220
-3
.163 1
.00 45
.28
C
528 ATOM 210
CD ARG A 31 31
.023
-2
.512
-3
.618 1
.00 49
.37
C
529 ATOM 211
NE ARG A 31 30
.524
-3
.675
-2
.888 1
.00 54
.07
N
530 ATOM 212
CZ ARG A 31 30
.868
-3
.976
-1
.640 1
.00 56
.62
C
531 ATOM 213
NH1 ARG A 31 31
.719
-3
.199
-0
.981 1
.00 57
.34
N
532 ATOM 214
NH2 ARG A 31 30
.361
-5
.052
-1
.049 1
.00 56
.69
N
533 ATOM 215
N SER A 32 31
.013 2
.002
-4
.909 1
.00 33
.90
N
534 ATOM 216
CA SER A 32 30
.247 2
.670
-5
.955 1
.00 35
.56
C
535 ATOM 217
C SER A 32 31
.120 2
.996
-7
.157 1
.00 34
.71
C
536 ATOM 218
O SER A 32 30
.707 2
.810
-8
.301 1
.00 35
.10
O
537 ATOM 219
CB SER A 32 29
.635 3
.964
-5
.411 1
.00 37
.93
C
538 ATOM 220
OG SER A 32 29
.066 4
.727
-6
.464 1
.00 44
.88
O
539 ATOM 221
N ASP A 33 32
.321 3
.498
-6
.886 1
.00 34
.12
N
540 ATOM 222
CA ASP A 33 33
.277 3
.851
-7
.923 1
.00 33
.50
C
541 ATOM 223
C ASP A 33 33
.671 2
.628
-8
.739 1
.00 30
.86
C
542 ATOM 224
O ASP A 33 33
.718 2
.685
-9
.964 1
.00 28
.64
O
543 ATOM 225
CB ASP A 33 34
.544 4
.451
-7
.298 1
.00 37
.87
C
544 ATOM 226
CG ASP A 33 34
.457 5
.955
-7
.109 1
.00 44
.46
C
545 ATOM 227
OD1 ASP A 33 35
.173 6
.479
-6
.227 1
.00 47
.30
O
546 ATOM 228
OD2 ASP A 33 33
.690 6
.612
-7
.846 1
.00 47
.59
O
547 ATOM 229
N ALA A 34 33
.983 1
.535
-8
.041 1
.00 29
.75
N
548 ATOM 230
CA ALA A 34 34
.403 0
.297
-8
.689 1
.00 28
.95
C
549 ATOM 231
C ALA A 34 33
.304
-0
.303
-9
.540 1
.00 29
.61
C
550 ATOM 232
O ALA A 34 33
.571
-0
.831
-10
.609 1
.00 28
.52
O
551 ATOM 233
CB ALA A 34 34
.866
-0
.722
-7
.634 1
.00 28
.79
C
552 ATOM 234
N GLN A 35 32
.065
-0
.234
-9
.066 1
.00 30
.14
N
553 ATOM 235
CA GLN A 35 30
.945
-0
.783
-9
.818 1
.00 31
.01
C
554 ATOM 236
C GLN A 35 30
.721 0
.025
-11
.084 1
.00 30
.43
C
555 ATOM 237
O GLN A 35 30
.402
-0
.523
-12
.140 1
.00 30
.85
O
556 ATOM 238
CB GLN A 35 29
.671
-0
.774
-8
.957 1
.00 34
.91
C
557 ATOM 239
CG GLN A 35 28
.410
-1
.149
-9
.712 1
.00 41
.40
C
558 ATOM 240
CD GLN A 35 28
.482
-2
.533
-10
.322 1
.00 44
.71
C
559 ATOM 241
OE1 GLN A 35 28
.688
-3
.524
-9
.621 1
.00 48
.25
O
560 ATOM 242
NE2 GLN A 35 28
.311
-2
.609
-11
.638 1
.00 48
.49
N
561 ATOM 243
N ALA A 36 30
.887 1
.336
-10
.970 1
.00 29
.99
N
562 ATOM 244
CA ALA A 36 30
.714 2
.240
-12
.101 1
.00 30
.24
C
563 ATOM 245
C ALA A 36 31
.797 2
.009
-13
.165 1
.00 30
.30
C
564 ATOM 246
O ALA A 36 31
.531 2
.117
-14
.364 1
.00 28
.28
O
565 ATOM 247
CB ALA A 36 30
.756 3
.686
-11
.615 1
.00 30
.72
C
566 ATOM 248
N ALA A 37 33
.011 1
.699
-12
.713 1
.00 29
.05
N
567 ATOM 249
CA ALA A 37 34
.148 1
.439
-13
.604 1
.00 28
.75
C
568 ATOM 250
C ALA A 37 33
.922 0
.106
-14
.319 1
.00 30
.11
C
569 ATOM 251
O ALA A 37 34
.205
-0
.048
-15
.511 1
.00 31
.18
O
570 ATOM 252
CB ALA A 37 35
.425 1
.368
-12
.791 1
.00 28
.91
C
571 ATOM 253
N LYS A 38 33
.420
-0
.859
-13
.562 1
.00 31
.44
N
572 ATOM 254
CA LYS A 38 33
.118
-2
.184
-14
.093 1
.00 33
.07
C
573 ATOM 255
C LYS A 38 32
.077
-2
.074
-15
.201 1
.00 33
.89
C
574 ATOM 256
O LYS A 38 32
.221
-2
.689
-16
.251 1
.00 31
.59
O
575 ATOM 257
CB LYS A 38 32
.598
-3
.089
-12
.970 1
.00 36
.11
C
576 ATOM 258
CG LYS A 38 32
.088
-4
.443
-13
.441 1
.00 39
.89
C
577 ATOM 259
CD LYS A 38 31
.918
-5
.410
-12
.281 1
.00 43
.43
C
578 ATOM 260
CE LYS A 38 33
.261
-5
.746
-11
.649 1
.00 46
.83
C
579 ATOM 261
NZ LYS A 38 34
.175
-6
.451
-12
.600 1
.00 51
.45
N
580 ATOM 262
N ASP A 39 31
.026
-1
.288
-14
.969 1
.00 34
.16
N
581 ATOM 263
CA ASP A 39 29
.979
-1
.120
-15
.972 1
.00 36
.44
C
582 ATOM 264
C ASP A 39 30
.487
-0
.361
-17
.191 1
.00 34
.93
C
583 ATOM 265
O ASP A 39 30
.101
-0
.656
-18
.316 1
.00 35
.49
O
584 ATOM 266
CB ASP A 39 28
.771
-0
.366
-15
.402 1
.00 40
.22
C
585 ATOM 267
CG ASP A 39 28
.091
-1
.113
-14
.272 1
.00 44
.54
C
586 ATOM 268
OD1 ASP A 39 28
.036
-2
.357
-14
.332 1
.00 45
.42
O
587 ATOM 269
OD2 ASP A 39 27
.601
-0
.448
-13
.333 1
.00 48
.38
O
588 ATOM 270
N ASP A 40 31
.334 0
.634
-16
.978 1
.00 32
.52
N
589 ATOM 271
CA ASP A 40 31
.844 1
.386
-18
.118 1
.00 33
.96
C
590 ATOM 272
C ASP A 40 32
.784 0
.514
-18
.950 1
.00 29
.85
C
591 ATOM 273
O ASP A 40 32
.785 0
.606
-20
.175 1
.00 30
.45
O
592 ATOM 274
CB ASP A 40 32
.572 2
.657
-17
.670 1
.00 33
.83
C
593 ATOM 275
CG ASP A 40 32
.507 3
.757
-18
.714 1
.00 38
.98
C
594 ATOM 276
OD1 ASP A 40 33
.467 4
.544
-18
.820 1
.00 39
.61
O
595 ATOM 277
OD2 ASP A 40 31
.485 3
.845
-19
.430 1
.00 39
.46
O
596 ATOM 278
N ALA A 41 33
.577
-0
.327
-18
.289 1
.00 28
.33
N
597 ATOM 279
CA ALA A 41 34
.505
-1
.220
-18
.993 1
.00 29
.44
C
598 ATOM 280
C ALA A 41 33
.719
-2
.287
-19
.760 1
.00 29
.65
C
599 ATOM 281
O ALA A 41 34
.131
-2
.723
-20
.838 1
.00 25
.38
O
600 ATOM 282
CB ALA A 41 35
.487
-1
.886
-17
.998 1
.00 28
.58
C
601 ATOM 283
N ALA A 42 32
.577
-2
.693
-19
.210 1
.00 29
.79
N
602 ATOM 284
CA ALA A 42 31
.722
-3
.679
-19
.870 1
.00 29
.99
C
603 ATOM 285
C ALA A 42 31
.124
-3
.032
-21
.119 1
.00 29
.67
C
604 ATOM 286
O ALA A 42 30
.977
-3
.680
-22
.150 1
.00 30
.55
O
605 ATOM 287
CB ALA A 42 30
.589
-4
.134
-18
.922 1
.00 31
.05
C
606 ATOM 288
N ARG A 43 30
.766
-1
.754
-21
.016 1
.00 29
.90
N
607 ATOM 289
CA ARG A 43 30
.186
-1
.039
-22
.149 1
.00 30
.25
C
608 ATOM 290
C ARG A 43 31
.216
-0
.941
-23
.269 1
.00 30
.40
C
609 ATOM 291
O ARG A 43 30
.903
-1
.215
-24
.431 1
.00 29
.29
O
610 ATOM 292
CB ARG A 43 29
.734 0
.362
-21
.736 1
.00 32
.82
C
611 ATOM 293
CG ARG A 43 29
.095 1
.171
-22
.861 1
.00 38
.97
C
612 ATOM 294
CD ARG A 43 28
.414 2
.435
-22
.333 1
.00 43
.64
C
613 ATOM 295
NE ARG A 43 29
.366 3
.463
-21
.917 1
.00 46
.30
N
614 ATOM 296
CZ ARG A 43 29
.737 4
.491
-22
.674 1
.00 47
.66
C
615 ATOM 297
NH1 ARG A 43 29
.236 4
.640
-23
.891 1
.00 49
.20
N
616 ATOM 298
NH2 ARG A 43 30
.615 5
.372
-22
.216 1
.00 49
.54
N
617 ATOM 299
N ALA A 44 32
.437
-0
.538
-22
.916 1
.00 27
.85
N
618 ATOM 300
CA ALA A 44 33
.516
-0
.424
-23
.893 1
.00 25
.52
C
619 ATOM 301
C ALA A 44 33
.687
-1
.749
-24
.644 1
.00 25
.35
C
620 ATOM 302
O ALA A 44 33
.705
-1
.772
-25
.876 1
.00 25
.31
O
621 ATOM 303
CB ALA A 44 34
.810
-0
.040
-23
.187 1
.00 27
.00
C
622 ATOM 304
N ASN A 45 33
.802
-2
.847
-23
.900 1
.00 25
.21
N
623 ATOM 305
CA ASN A 45 33
.975
-4
.174
-24
.488 1
.00 28
.03
C
624 ATOM 306
C ASN A 45 32
.794
-4
.676
-25
.317 1
.00 31
.35
C
625 ATOM 307
O ASN A 45 32
.978
-5
.496
-26
.217 1
.00 31
.78
O
626 ATOM 308
CB ASN A 45 34
.335
-5
.198
-23
.401 1
.00 28
.51
C
627 ATOM 309
CG ASN A 45 35
.805
-5
.154
-23
.034 1
.00 29
.39
C
628 ATOM 310
OD1 ASN A 45 36
.666
-5
.276
-23
.905 1
.00 27
.21
O
629 ATOM 311
ND2 ASN A 45 36
.105
-4
.979
-21
.745 1
.00 27
.56
N
630 ATOM 312
N GLN A 46 31
.588
-4
.198
-25
.017 1
.00 32
.93
N
631 ATOM 313
CA GLN A 46 30
.413
-4
.590
-25
.787 1
.00 34
.22
C
632 ATOM 314
C GLN A 46 30
.409
-3
.812
-27
.092 1
.00 34
.72
C
633 ATOM 315
O GLN A 46 30
.024
-4
.337
-28
.141 1
.00 33
.44
O
634 ATOM 316
CB GLN A 46 29
.127
-4
.298
-25
.018 1
.00 34
.64
C
635 ATOM 317
CG GLN A 46 28
.912
-5
.200
-23
.834 1
.00 35
.58
C
636 ATOM 318
CD GLN A 46 27
.608
-4
.911
-23
.136 1
.00 40
.25
C
637 ATOM 319
OE1 GLN A 46 26
.839
-4
.057
-23
.572 1
.00 42
.15
O
638 ATOM 320
NE2 GLN A 46 27
.346
-5
.623
-22
.050 1
.00 40
.60
N
639 ATOM 321
N ARG A 47 30
.824
-2
.550
-27
.023 1
.00 33
.13
N
640 ATOM 322
CA ARG A 47 30
.892
-1
.718
-28
.216 1
.00 33
.01
C
641 ATOM 323
C ARG A 47 31
.976
-2
.285
-29
.126 1
.00 32
.83
C
642 ATOM 324
O ARG A 47 31
.872
-2
.206
-30
.350 1
.00 36
.05
O
643 ATOM 325
CB ARG A 47 31
.212
-0
.272
-27
.844 1
.00 34
.84
C
644 ATOM 326
CG ARG A 47 30
.115 0
.414
-27
.043 1
.00 33
.35
C
645 ATOM 327
CD ARG A 47 30
.581 1
.771
-26
.503 1
.00 33
.10
C
646 ATOM 328
NE ARG A 47 30
.690 2
.802
-27
.532 1
.00 33
.84
N
647 ATOM 329
CZ ARG A 47 31
.206 4
.006
-27
.316 1
.00 35
.12
C
648 ATOM 330
NH1 ARG A 47 31
.668 4
.320
-26
.110 1
.00 33
.52
N
649 ATOM 331
NH2 ARG A 47 31
.228 4
.909
-28
.289 1
.00 35
.65
N
650 ATOM 332
N LEU A 48 33
.016
-2
.859
-28
.528 1
.00 31
.40
N
651 ATOM 333
CA LEU A 48 34
.084
-3
.467
-29
.311 1
.00 33
.40
C
652 ATOM 334
C LEU A 48 33
.563
-4
.745
-29
.988 1
.00 37
.46
C
653 ATOM 335
O LEU A 48 33
.895
-5
.014
-31
.138 1
.00 35
.92
O
654 ATOM 336
CB LEU A 48 35
.303
-3
.767
-28
.424 1
.00 30
.58
C
655 ATOM 337
CG LEU A 48 36
.201
-2
.540
-28
.166 1
.00 25
.20
C
656 ATOM 338
CD1 LEU A 48 37
.058
-2
.718
-26
.928 1
.00 24
.86
C
657 ATOM 339
CD2 LEU A 48 37
.054
-2
.301
-29
.389 1
.00 25
.54
C
658 ATOM 340
N ASP A 49 32
.728
-5
.515
-29
.292 1
.00 41
.22
N
659 ATOM 341
CA ASP A 49 32
.180
-6
.745
-29
.877 1
.00 45
.82
C
660 ATOM 342
C ASP A 49 31
.339
-6
.444
-31
.122 1
.00 48
.43
C
661 ATOM 343
O ASP A 49 31
.357
-7
.204
-32
.083 1
.00 50
.16
O
662 ATOM 344
CB ASP A 49 31
.301
-7
.511
-28
.870 1
.00 46
.21
C
663 ATOM 345
CG ASP A 49 32
.038
-7
.878
-27
.588 1
.00 45
.77
C
664 ATOM 346
OD1 ASP A 49 33
.257
-8
.140
-27
.640 1
.00 45
.29
O
665 ATOM 347
OD2 ASP A 49 31
.381
-7
.920
-26
.525 1
.00 48
.05
O
666 ATOM 348
N ASN A 50 30
.600
-5
.338
-31
.099 1
.00 51
.36
N
667 ATOM 349
CA ASN A 50 29
.750
-4
.958
-32
.228 1
.00 54
.22
C
668 ATOM 350
C ASN A 50 30
.526
-4
.365
-33
.401 1
.00 56
.53
C
669 ATOM 351
O ASN A 50 29
.926
-3
.888
-34
.362 1
.00 57
.22
O
670 ATOM 352
CB ASN A 50 28
.688
-3
.940
-31
.793 1
.00 53
.30
C
671 ATOM 353
CG ASN A 50 27
.768
-4
.470
-30
.710 1
.00 54
.57
C
672 ATOM 354
OD1 ASN A 50 27
.692
-5
.674
-30
.477 1
.00 52
.96
O
673 ATOM 355
ND2 ASN A 50 27
.049
-3
.565
-30
.052 1
.00 53
.24
N
674 ATOM 356
N MET A 51 31
.852
-4
.392
-33
.317 1
.00 59
.27
N
675 ATOM 357
CA MET A 51 32
.710
-3
.852
-34
.367 1
.00 61
.71
C
676 ATOM 358
C MET A 51 33
.513
-4
.949
-35
.064 1
.00 63
.20
C
677 ATOM 359
O MET A 51 33
.678
-4
.859
-36
.304 1
.00 63
.80
O
678 ATOM 360
CB MET A 51 33
.669
-2
.818
-33
.775 1
.00 62
.63
C
679 ATOM 361
CG MET A 51 33
.003
-1
.543
-33
.289 1
.00 62
.77
C
680 ATOM 362
SD MET A 51 34
.125
-0
.511
-32
.325 1
.00 64
.74
S
681 ATOM 363
CE MET A 51 34
.951 0
.417
-33
.612 1
.00 64
.43
C
683 HETATM 365
O HOH A 101 34
.416 5
.502
-16
.830 1
.00 29
.24
O
684 HETATM 366
O HOH A 102 30
.472 7
.513 0
.591 1
.00 49
.24
O
685 HETATM 367
O HOH A 103 27
.525 3
.114
-25
.644 1
.00 56
.16
O
686 HETATM 368
O HOH A 104 28
.569
-2
.607
-6
.031 1
.00 45
.36
O
687 HETATM 369
O HOH A 105 27
.836 2
.865
-9
.227 1
.00 45
.75
O
688 HETATM 370
O HOH A 106 33
.267 8
.867 2
.127 1
.00 50
.17
O
689 HETATM 371
O HOH A 107 33
.675 11
.473 11
.688 1
.00 73
.66
O
690 HETATM 372
O HOH A 108 30
.240 7
.202
-5
.938 1
.00 62
.20
O
691 HETATM 373
O HOH A 109 43
.925 9
.173 31
.092 1
.00 55
.68
O
692 HETATM 374
O HOH A 110 29
.476
-1
.870
-37
.048 1
.00 60
.54
O
693 HETATM 375
O HOH A 111 29
.249 0
.902
-34
.659 1
.00 75
.07
O
694 HETATM 376
O HOH A 112 29
.495
-6
.357
-38
.035 1
.00 57
.74
O
695 HETATM 377
O HOH A 113 29
.195
-6
.956
-10
.085 1
.00 67
.78
O
696 HETATM 378
O HOH A 114 34
.238 8
.752
-16
.472 1
.00 54
.88
O
697 HETATM 379
O HOH A 115 27
.405
-2
.086
-18
.861 1
.00 46
.59
O
698 HETATM 380
O HOH A 116 27
.808 5
.914
-26
.134 1
.00 64
.75
O
699 HETATM 381
O HOH A 117 42
.868 10
.845 27
.475 1
.00 65
.08
O
700 HETATM 382
O HOH A 118 33
.398 6
.030 24
.246 1
.00 62
.29
O
701 HETATM 383
O HOH A 119 33
.766 10
.898 24
.101 1
.00 63
.79
O
702 MASTER 273 0 0 1 0 0 0 6 382 1 0 5