MEMBRANE PROTEIN
CRYSTAL STRUCTURE OF THE LIGHT-DRIVEN SODIUM PUMP KR2 IN THE MONOMERIC
2 BLUE FORM, PH 4.3
MOL_ID: 1;
2 MOLECULE: SODIUM PUMPING RHODOPSIN;
3 CHAIN: A;
4 ENGINEERED: YES
MOL_ID: 1;
2 ORGANISM_SCIENTIFIC: DOKDONIA EIKASTA;
3 ORGANISM_TAXID: 308116;
4 GENE: NAR;
5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
6 EXPRESSION_SYSTEM_TAXID: 562
ION PUMP, MEMBRANE PROTEIN
X-RAY DIFFRACTION
I.GUSHCHIN,V.SHEVCHENKO,V.POLOVINKIN,V.GORDELIY
13-MAY-15 4XTL
29-APR-15 4XTL
22-APR-15 4XTL
08-APR-15 4XTL
01-APR-15 4XTL
I.GUSHCHIN,V.SHEVCHENKO,V.POLOVINKIN,K.KOVALEV,A.ALEKSEEV,
AUTH 2 E.ROUND,V.BORSHCHEVSKIY,T.BALANDIN,A.POPOV,T.GENSCH,
AUTH 3 C.FAHLKE,C.BAMANN,D.WILLBOLD,G.BULDT,E.BAMBERG,V.GORDELIY
CRYSTAL STRUCTURE OF A LIGHT-DRIVEN SODIUM PUMP.
NAT.STRUCT.MOL.BIOL.
10.1038/NSMB.3002
2 RESOLUTION.
1.45 ANGSTROMS.
3 REFINEMENT.
: REFMAC 5.8.0049
: MURSHUDOV,VAGIN,DODSON
REFINEMENT TARGET : MAXIMUM LIKELIHOOD
DATA USED IN REFINEMENT.
RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45
RESOLUTION RANGE LOW
(ANGSTROMS) : 40.40
DATA CUTOFF
(SIGMA(F)) : NULL
COMPLETENESS FOR RANGE
(%) : 99.7
NUMBER OF REFLECTIONS
FIT TO DATA USED IN REFINEMENT.
CROSS-VALIDATION METHOD
: THROUGHOUT
FREE R VALUE TEST SET SELECTION
(WORKING + TEST SET) : 0.189
(WORKING SET) : 0.187
FREE R VALUE
FREE R VALUE TEST SET SIZE
(%) : 4.800
FREE R VALUE TEST SET COUNT
FIT IN THE HIGHEST RESOLUTION BIN.
TOTAL NUMBER OF BINS USED
BIN RESOLUTION RANGE HIGH
(A) : 1.45
BIN RESOLUTION RANGE LOW
(A) : 1.49
REFLECTION IN BIN
(WORKING SET) : 4713
BIN COMPLETENESS (WORKING+TEST) (%) : 99.14
BIN R VALUE
(WORKING SET) : 0.4480
BIN FREE R VALUE SET COUNT
BIN FREE R VALUE
NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
PROTEIN ATOMS
NUCLEIC ACID ATOMS
HETEROGEN ATOMS
SOLVENT ATOMS
FROM WILSON PLOT
(A**2) : NULL
MEAN B VALUE
(OVERALL, A**2) : 32.87
OVERALL ANISOTROPIC B VALUE.
B11 (A**2) : 2.70000
B22 (A**2) : 0.27000
B33 (A**2) : -2.97000
B12 (A**2) : 0.00000
B13 (A**2) : 0.00000
B23 (A**2) : 0.00000
ESTIMATED OVERALL COORDINATE ERROR.
ESU BASED ON R VALUE
(A): 0.062
ESU BASED ON FREE R VALUE
(A): 0.066
ESU BASED ON MAXIMUM LIKELIHOOD
(A): 0.073
ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.248
3 CORRELATION COEFFICIENTS.
CORRELATION COEFFICIENT FO-FC
CORRELATION COEFFICIENT FO-FC FREE : 0.957
RMS DEVIATIONS FROM IDEAL VALUES
BOND LENGTHS REFINED ATOMS
2628 ; 0.007 ; 0.020
BOND LENGTHS OTHERS
2820 ; 0.002 ; 0.020
BOND ANGLES REFINED ATOMS
(DEGREES):
3486 ; 1.045 ; 2.016
BOND ANGLES OTHERS
(DEGREES):
6428 ; 0.784 ; 3.002
TORSION ANGLES, PERIOD 1
(DEGREES):
317 ; 4.222 ; 5.000
TORSION ANGLES, PERIOD 2
(DEGREES):
100 ;33.358 ;23.900
TORSION ANGLES, PERIOD 3
(DEGREES):
381 ;12.836 ;15.000
TORSION ANGLES, PERIOD 4
(DEGREES):
5 ;21.059 ;15.000
CHIRAL-CENTER RESTRAINTS
374 ; 0.064 ; 0.200
GENERAL PLANES REFINED ATOMS
2723 ; 0.006 ; 0.020
GENERAL PLANES OTHERS
611 ; 0.000 ; 0.020
NON-BONDED CONTACTS REFINED ATOMS (A):
NON-BONDED CONTACTS OTHERS
NON-BONDED TORSION REFINED ATOMS
NON-BONDED TORSION OTHERS
H-BOND (X...Y) REFINED ATOMS
H-BOND (X...Y) OTHERS
POTENTIAL METAL-ION REFINED ATOMS (A):
POTENTIAL METAL-ION OTHERS
SYMMETRY VDW REFINED ATOMS
SYMMETRY VDW OTHERS
SYMMETRY H-BOND REFINED ATOMS
SYMMETRY H-BOND OTHERS
SYMMETRY METAL-ION REFINED ATOMS
SYMMETRY METAL-ION OTHERS
ISOTROPIC THERMAL FACTOR RESTRAINTS.
MAIN-CHAIN BOND REFINED ATOMS
1132 ; 3.864 ; 2.832
MAIN-CHAIN BOND OTHER ATOMS
1131 ; 3.861 ; 2.826
MAIN-CHAIN ANGLE REFINED ATOMS (A**2):
1423 ; 4.910 ; 4.205
MAIN-CHAIN ANGLE OTHER ATOMS
1424 ; 4.913 ; 4.211
SIDE-CHAIN BOND REFINED ATOMS
1496 ; 5.167 ; 3.743
SIDE-CHAIN BOND OTHER ATOMS
1496 ; 5.163 ; 3.743
SIDE-CHAIN ANGLE REFINED ATOMS (A**2):
SIDE-CHAIN ANGLE OTHER ATOMS
2038 ; 6.873 ; 5.199
LONG RANGE B REFINED ATOMS
3142 ; 8.677 ;25.645
LONG RANGE B OTHER ATOMS
3142 ; 8.669 ;25.645
3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.
RIGID-BOND RESTRAINTS
SPHERICITY; FREE ATOMS
SPHERICITY; BONDED ATOMS
NCS RESTRAINTS STATISTICS
NUMBER OF DIFFERENT NCS GROUPS : NULL
TLS DETAILS
NUMBER OF TLS GROUPS
BULK SOLVENT MODELLING.
METHOD USED : MASK
PARAMETERS FOR MASK CALCULATION
VDW PROBE RADIUS
ION PROBE RADIUS
SHRINKAGE RADIUS
OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING
4 4XTL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-JAN-15.
REMARK 100 THE DEPOSITION ID IS D_.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200
EXPERIMENT TYPE
: X-RAY DIFFRACTION
REMARK 200
DATE OF DATA COLLECTION
: 27-JUL-14
REMARK 200
TEMPERATURE
(KELVIN) : 100
REMARK 200
REMARK 200
NUMBER OF CRYSTALS USED
REMARK 200
REMARK 200
SYNCHROTRON
REMARK 200
RADIATION SOURCE
REMARK 200
REMARK 200
X-RAY GENERATOR MODEL
REMARK 200
MONOCHROMATIC OR LAUE
REMARK 200
WAVELENGTH OR RANGE
(A) : 0.969
REMARK 200
MONOCHROMATOR
REMARK 200
REMARK 200
REMARK 200
DETECTOR TYPE
REMARK 200
DETECTOR MANUFACTURER
: PSI PILATUS 6M
REMARK 200
INTENSITY-INTEGRATION SOFTWARE : XDS
REMARK 200
DATA SCALING SOFTWARE
REMARK 200
REMARK 200
NUMBER OF UNIQUE REFLECTIONS
REMARK 200
RESOLUTION RANGE HIGH
(A) : 1.450
REMARK 200
RESOLUTION RANGE LOW
(A) : 40.400
REMARK 200
REJECTION CRITERIA
(SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200
COMPLETENESS FOR RANGE
(%) : 99.7
REMARK 200
DATA REDUNDANCY
REMARK 200
(I) : NULL
REMARK 200
(I) : NULL
REMARK 200
FOR THE DATA SET
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200
HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.45
REMARK 200
HIGHEST RESOLUTION SHELL, RANGE LOW
(A) : 1.50
REMARK 200
COMPLETENESS FOR SHELL
(%) : 99.3
REMARK 200
DATA REDUNDANCY IN SHELL
REMARK 200
R MERGE FOR SHELL
(I) : 1.35100
REMARK 200
R SYM FOR SHELL
(I) : NULL
REMARK 200
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: MOLREP
REMARK 200 STARTING MODEL: 3DDL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS
(%): 57.57
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: THE CRYSTALS WERE GROWN USING IN MESO
REMARK 280
CRYSTALLIZATION TECHNIQUE, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2
REMARK 290
REMARK 290
REMARK 290
REMARK 290
REMARK 290
REMARK 290
REMARK 290
REMARK 290
X+1/2,Y+1/2,Z+1/2
REMARK 290
-X+1/2,-Y+1/2,Z+1/2
REMARK 290
-X+1/2,Y+1/2,-Z+1/2
REMARK 290
X+1/2,-Y+1/2,-Z+1/2
REMARK 290
REMARK 290
WHERE NNN -> OPERATOR NUMBER
REMARK 290
MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290
1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
2 -1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
3 -1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
6 -1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
7 -1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
1...000000
REMARK 290
0...000000
REMARK 290
0...000000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW.
BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 11880 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 11470 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 175.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350
1...000000
REMARK 350
0...000000
REMARK 350
0...000000
REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375
LIES ON A SPECIAL POSITION.
REMARK 375
LIES ON A SPECIAL POSITION.
REMARK 375
LIES ON A SPECIAL POSITION.
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465
M RES C SSSEQI
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 465
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470
M RES CSSEQI
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 470
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500
M RES CSSEQI
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500
REMARK 500 REMARK: NULL
REMARK 610
REMARK 610 MISSING HETEROATOM
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 610 I=INSERTION CODE):
REMARK 610
M RES C SSEQI
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 610
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR:
M RES CSSEQI METAL
REMARK 620
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 TYR A
REMARK 620 2 THR A
REMARK 620 3 PHE A
REMARK 620 4 HOH A 462
82.6 159.1 109.6
REMARK 620 5 HOH A 470
REMARK 620 6 HOH A 478
85.1 166.3
REMARK 620 N
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 301
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 302
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 303
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 304
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 305
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 306
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 307
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 308
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC9
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 309
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 310
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 311
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 313
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 314
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 315
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 316
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 317
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 318
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD9
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 319
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 320
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 321
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 322
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 324
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 325
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 326
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 327
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 328
REMARK 800
REMARK 800 SITE_IDENTIFIER: AE9
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 330
REMARK 800
REMARK 800 SITE_IDENTIFIER: AF1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 333
REMARK 800
REMARK 800 SITE_IDENTIFIER: AF2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LFA A 335
REMARK 800
REMARK 800 SITE_IDENTIFIER: AF3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 336
REMARK 800
REMARK 800 SITE_IDENTIFIER: AF4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 337
N0DKS8_9FLAO
SEQADV 4XTL LEU A
EXPRESSION TAG
SEQADV 4XTL GLU A
EXPRESSION TAG
SEQADV 4XTL HIS A
EXPRESSION TAG
SEQADV 4XTL HIS A
EXPRESSION TAG
SEQADV 4XTL HIS A
EXPRESSION TAG
SEQADV 4XTL HIS A
EXPRESSION TAG
SEQADV 4XTL HIS A
EXPRESSION TAG
SEQADV 4XTL HIS A
EXPRESSION TAG
MET THR GLN GLU LEU GLY ASN ALA ASN PHE GLU ASN PHE
ILE GLY ALA THR GLU GLY PHE SER GLU ILE ALA TYR GLN
PHE THR SER HIS ILE LEU THR LEU GLY TYR ALA VAL MET
LEU ALA GLY LEU LEU TYR PHE ILE LEU THR ILE LYS ASN
VAL ASP LYS LYS PHE GLN MET SER ASN ILE LEU SER ALA
VAL VAL MET VAL SER ALA PHE LEU LEU LEU TYR ALA GLN
ALA GLN ASN TRP THR SER SER PHE THR PHE ASN GLU GLU
VAL GLY ARG TYR PHE LEU ASP PRO SER GLY ASP LEU PHE
ASN ASN GLY TYR ARG TYR LEU ASN TRP LEU ILE ASP VAL
PRO MET LEU LEU PHE GLN ILE LEU PHE VAL VAL SER LEU
THR THR SER LYS PHE SER SER VAL ARG ASN GLN PHE TRP
PHE SER GLY ALA MET MET ILE ILE THR GLY TYR ILE GLY
GLN PHE TYR GLU VAL SER ASN LEU THR ALA PHE LEU VAL
TRP GLY ALA ILE SER SER ALA PHE PHE PHE HIS ILE LEU
TRP VAL MET LYS LYS VAL ILE ASN GLU GLY LYS GLU GLY
ILE SER PRO ALA GLY GLN LYS ILE LEU SER ASN ILE TRP
ILE LEU PHE LEU ILE SER TRP THR LEU TYR PRO GLY ALA
TYR LEU MET PRO TYR LEU THR GLY VAL ASP GLY PHE LEU
TYR SER GLU ASP GLY VAL MET ALA ARG GLN LEU VAL TYR
THR ILE ALA ASP VAL SER SER LYR VAL ILE TYR GLY VAL
LEU LEU GLY ASN LEU ALA ILE THR LEU SER LYS ASN LYS
GLU LEU VAL GLU ALA ASN SER LEU GLU HIS HIS HIS HIS
MODRES 4XTL LYR A
MODIFIED RESIDUE
LYR N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-
TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-
TETRAENYL]LYSINE
NA SODIUM ION
LFA EICOSANE
GOL GLYCEROL
LFA LIPID FRAGMENT
GOL GLYCERIN; PROPANE-1,2,3-TRIOL
C26 H42 N2 O2
34(C20 H42)
2(C3 H8 O3)
*144(H2 O)
1 AA1 ASN A
2 AA2 SER A
3 AA3 ILE A
4 AA4 ASP A
5 AA5 PHE A
6 AA6 ASN A
7 AA7 LEU A
8 AA8 LYS A
9 AA9 ASN A
10 AB1 SER A
11 AB2 PRO A
12 AB3 SER A
1 AA1 2 PHE A
2 AA1 2 ARG A
6 HOH A 470
3 ASN A 163
1 LFA A 326
1 LFA A 302
3 ASN A 105
3 TYR A 226
1 ASN A 140
4 ASN A 206
2 SER A 175
3 SER A 175
1 LFA A 316
2 LFA A 302
5 ILE A 151
5 LFA A 320
6 LFA A 325
6 GLN A 141
6 LFA A 318
1 MET A 241
4 PHE A 122
2 LFA A 305
1 THR A 228
4 THR A 216
2 MET A 119
2 LEU A 164
4 ASN A 163
1 LYS A 186
90.00 I 2 2 2
1...000000
0...000000
0...000000
0...000000
0...000000
0...004295
1.00107.63
1.00100.64
1.00106.16
1.00 92.85
1.00124.03
1.00 91.27
1.00 92.91
1.00 94.07
1.00114.05
1.00 84.47
1.00 79.05
1.00 83.78
1.00 88.48
1.00 62.92
1.00 63.31
1.00 64.44
1.00 63.30
1.00 73.31
1.00 64.38
1.00 69.68
0.75 47.98
0.75 54.97
0.75 50.31
0.75 61.72
0.75 45.53
0.75 47.27
0.75 42.52
0.75 45.25
1.00 52.75
1.00 57.34
1.00 58.95
1.00 61.57
1.00 56.25
1.00 51.05
1.00 52.97
1.00 49.48
1.00 53.82
1.00 52.38
1.00 68.63
1.00 59.07
1.00 33.42
1.00 33.28
1.00 35.19
1.00 32.13
1.00 34.96
1.00 32.38
1.00 29.31
1.00 32.37
1.00 29.41
1.00 30.96
1.00 32.27
1.00 31.32
1.00 33.35
1.00 33.52
1.00 40.80
1.00 38.11
1.00 47.92
1.00 34.32
1.00 40.27
1.00 29.03
1.00 25.34
1.00 23.92
1.00 25.72
1.00 28.64
1.00 30.16
1.00 33.65
1.00 29.40
1.00 35.07
1.00 26.12
1.00 25.16
1.00 30.97
1.00 29.20
1.00 28.71
1.00 25.44
1.00 27.64
1.00 28.43
1.00 29.08
1.00 27.34
1.00 29.80
1.00 30.38
1.00 35.41
1.00 35.39
1.00 43.50
1.00 44.08
1.00 43.56
1.00 48.54
1.00 44.86
1.00 27.99
1.00 27.34
1.00 29.89
1.00 29.39
1.00 27.85
1.00 32.72
1.00 28.63
1.00 36.45
1.00 27.40
1.00 27.91
1.00 28.77
1.00 31.03
1.00 27.20
1.00 30.10
1.00 34.89
1.00 39.03
1.00 31.73
1.00 29.71
1.00 31.41
1.00 34.47
1.00 35.95
1.00 31.00
1.00 35.31
1.00 31.70
1.00 32.88
1.00 33.16
1.00 35.08
1.00 33.25
1.00 40.61
0.50 43.07
0.50 57.21
1.00 58.19
1.00 70.18
1.00 31.60
1.00 29.29
1.00 28.99
1.00 31.68
1.00 28.25
1.00 31.21
1.00 25.75
1.00 29.96
1.00 28.25
1.00 26.75
1.00 30.97
1.00 28.06
1.00 30.84
1.00 30.06
1.00 28.20
1.00 29.91
1.00 32.88
1.00 42.95
1.00 32.64
1.00 35.32
1.00 35.50
1.00 35.42
1.00 41.60
1.00 37.44
1.00 33.49
1.00 49.39
1.00 78.11
1.00 79.44
1.00104.87
1.00 84.60
1.00 36.92
1.00 36.80
1.00 32.68
1.00 31.72
1.00 41.65
1.00 51.79
1.00 44.27
1.00 60.17
1.00 34.30
1.00 32.42
1.00 32.81
1.00 29.29
1.00 30.26
1.00 27.95
1.00 28.68
1.00 29.90
1.00 26.88
1.00 29.61
1.00 26.73
1.00 28.77
1.00 27.91
1.00 27.39
1.00 31.02
1.00 28.45
1.00 30.78
1.00 28.17
1.00 28.75
1.00 30.32
1.00 27.96
1.00 34.73
1.00 36.65
1.00 46.18
1.00 50.03
1.00 45.61
1.00 27.92
1.00 31.22
1.00 30.56
1.00 28.47
1.00 31.92
1.00 32.31
1.00 40.16
1.00 35.85
1.00 44.17
1.00 38.94
1.00 38.61
1.00 28.34
1.00 28.02
1.00 26.85
1.00 26.22
1.00 27.36
1.00 26.74
1.00 28.55
1.00 26.06
1.00 28.63
1.00 27.80
1.00 27.79
1.00 30.85
1.00 31.68
1.00 26.49
1.00 29.03
1.00 26.09
1.00 26.65
1.00 29.74
1.00 35.78
1.00 43.82
1.00 39.30
1.00 36.25
1.00 40.45
1.00 23.60
1.00 23.08
1.00 27.31
1.00 23.62
1.00 27.00
1.00 37.21
1.00 35.35
1.00 40.19
1.00 25.68
1.00 26.86
1.00 28.59
1.00 26.52
1.00 25.59
1.00 26.61
1.00 30.39
1.00 28.69
1.00 24.21
1.00 24.54
1.00 26.46
1.00 28.04
1.00 28.41
1.00 28.44
1.00 31.90
1.00 25.71
1.00 27.16
1.00 28.07
1.00 26.49
1.00 27.67
1.00 35.21
1.00 40.53
1.00 38.71
1.00 24.05
1.00 25.04
1.00 25.15
1.00 23.90
1.00 22.94
1.00 23.03
1.00 23.46
1.00 23.21
1.00 22.16
1.00 22.25
1.00 24.39
1.00 23.17
1.00 27.80
1.00 25.95
1.00 26.40
1.00 28.69
1.00 22.97
1.00 24.84
1.00 24.14
1.00 22.83
1.00 26.24
1.00 21.47
1.00 20.78
1.00 21.49
1.00 22.35
1.00 23.48
1.00 24.07
1.00 26.03
1.00 21.77
1.00 20.91
1.00 22.23
1.00 22.31
1.00 20.87
1.00 21.13
1.00 22.52
1.00 26.26
1.00 21.23
1.00 20.92
1.00 22.21
1.00 24.14
1.00 23.05
1.00 27.09
1.00 27.73
1.00 28.00
1.00 20.65
1.00 24.26
1.00 24.83
1.00 23.32
1.00 22.83
1.00 22.70
1.00 22.96
1.00 20.86
1.00 21.89
1.00 19.63
1.00 21.51
1.00 22.54
1.00 21.23
1.00 20.82
1.00 21.15
1.00 21.36
1.00 22.08
1.00 23.15
0.50 23.21
0.50 26.66
1.00 26.43
1.00 25.16
0.50 21.12
0.50 29.78
0.50 21.09
0.50 39.43
0.50 29.63
0.50 39.18
0.50 23.20
0.50 42.59
1.00 24.23
1.00 23.80
1.00 24.50
1.00 25.65
1.00 24.08
1.00 24.89
1.00 28.86
1.00 24.20
1.00 27.06
1.00 25.33
1.00 26.94
1.00 29.25
1.00 20.61
1.00 21.70
1.00 24.76
1.00 24.65
1.00 21.07
1.00 19.48
1.00 20.41
1.00 18.74
1.00 22.46
1.00 21.55
1.00 21.62
1.00 22.15
1.00 23.23
1.00 22.01
1.00 26.69
1.00 22.00
1.00 23.71
1.00 29.53
1.00 25.81
1.00 23.09
1.00 23.60
1.00 33.64
1.00 35.21
1.00 26.63
1.00 28.57
1.00 35.24
1.00 32.64
1.00 24.84
1.00 28.55
1.00 30.24
1.00 30.78
1.00 29.03
1.00 29.09
1.00 30.40
1.00 27.73
1.00 28.98
1.00 32.95
1.00 32.26
1.00 36.88
1.00 45.75
1.00 33.74
1.00 49.24
1.00 29.12
1.00 39.59
1.00 37.18
1.00 42.44
1.00 45.57
1.00 46.55
1.00 44.38
1.00 54.97
1.00 50.15
1.00 28.34
1.00 29.61
1.00 29.30
1.00 29.89
1.00 34.06
1.00 43.99
1.00 54.40
1.00 44.14
1.00 26.10
1.00 25.54
1.00 25.53
1.00 27.16
1.00 30.65
1.00 34.88
1.00 28.17
1.00 25.87
1.00 27.98
1.00 28.03
1.00 25.95
1.00 29.48
1.00 37.48
1.00 36.67
1.00 39.65
1.00 23.79
1.00 25.82
1.00 25.18
1.00 23.90
1.00 34.58
1.00 54.78
1.00 52.93
1.00 45.99
1.00 37.87
1.00 24.01
1.00 26.55
1.00 23.61
1.00 27.06
1.00 30.75
1.00 28.99
1.00 39.40
1.00 21.03
1.00 20.61
1.00 23.24
1.00 21.28
1.00 20.81
1.00 22.39
1.00 25.99
1.00 26.16
1.00 28.31
1.00 27.97
1.00 28.35
1.00 21.62
1.00 22.51
1.00 21.96
1.00 21.32
1.00 20.14
1.00 21.67
1.00 24.17
1.00 25.42
1.00 27.84
1.00 21.27
0.50 23.93
0.50 22.97
1.00 21.08
1.00 19.96
0.50 24.43
0.50 21.88
0.50 30.28
0.50 25.95
0.50 34.82
0.50 28.07
0.50 29.33
0.50 24.47
1.00 18.34
1.00 21.22
1.00 21.37
1.00 20.11
1.00 23.91
1.00 21.38
1.00 21.89
1.00 23.62
1.00 22.55
1.00 22.98
1.00 26.32
1.00 25.76
1.00 40.59
1.00 34.83
1.00 21.05
1.00 23.06
1.00 23.12
1.00 22.21
1.00 25.40
1.00 28.09
1.00 26.49
1.00 30.33
1.00 19.12
1.00 19.04
1.00 18.26
1.00 20.86
1.00 18.59
1.00 20.49
1.00 20.65
1.00 26.35
1.00 17.10
1.00 17.74
1.00 17.95
1.00 19.76
1.00 19.74
1.00 19.02
1.00 18.65
1.00 20.06
1.00 20.09
1.00 21.79
1.00 20.06
1.00 19.59
1.00 21.02
1.00 22.44
1.00 22.07
1.00 25.32
1.00 26.15
1.00 26.74
1.00 19.69
1.00 17.98
1.00 18.32
1.00 20.59
1.00 21.08
1.00 21.35
1.00 21.75
1.00 19.83
1.00 20.45
1.00 21.01
1.00 19.45
1.00 19.03
1.00 21.19
1.00 24.25
1.00 22.97
1.00 19.92
1.00 21.21
1.00 20.77
1.00 21.84
1.00 20.77
1.00 25.15
1.00 22.41
1.00 19.79
0.70 21.57
0.30 21.74
1.00 22.19
1.00 22.41
0.70 23.58
0.30 23.23
0.70 26.08
0.30 26.51
1.00 20.05
1.00 20.47
1.00 19.68
1.00 20.20
1.00 20.22
1.00 18.86
1.00 19.94
1.00 20.20
1.00 20.80
1.00 20.97
1.00 22.46
1.00 22.79
1.00 23.98
1.00 24.76
1.00 26.94
1.00 25.57
1.00 18.60
1.00 20.63
1.00 23.16
1.00 20.92
1.00 20.41
1.00 21.55
1.00 25.97
1.00 26.19
1.00 19.84
1.00 21.58
1.00 20.75
1.00 22.03
1.00 21.24
1.00 22.97
1.00 22.97
1.00 26.50
1.00 20.54
1.00 22.27
1.00 23.20
1.00 22.67
1.00 22.52
1.00 23.21
1.00 27.23
1.00 28.54
1.00 19.81
1.00 20.89
1.00 20.19
1.00 22.84
1.00 22.12
1.00 21.73
1.00 25.39
1.00 23.98
1.00 29.10
1.00 29.12
1.00 26.96
1.00 34.31
1.00 20.05
1.00 21.26
1.00 24.37
1.00 25.53
1.00 22.44
1.00 22.10
0.50 23.51
0.50 24.36
1.00 25.75
1.00 24.84
0.50 21.85
0.50 25.39
0.50 27.04
0.50 26.49
0.50 22.96
0.50 29.12
0.50 37.67
0.50 36.72
0.50 17.57
0.50 33.55
1.00 22.45
1.00 22.39
1.00 25.30
1.00 25.46
1.00 26.65
1.00 24.33
1.00 28.07
1.00 26.92
1.00 25.91
1.00 27.07
1.00 30.59
1.00 36.97
1.00 38.67
1.00 35.49
1.00 25.34
1.00 25.87
1.00 27.84
1.00 27.63
1.00 28.31
1.00 26.57
1.00 31.74
1.00 28.49
1.00 24.32
1.00 24.61
1.00 27.60
1.00 26.24
1.00 26.75
1.00 23.97
1.00 27.40
1.00 23.65
1.00 26.81
1.00 24.56
1.00 26.41
1.00 26.96
1.00 29.77
1.00 28.09
1.00 25.35
1.00 29.77
1.00 31.86
1.00 29.80
1.00 32.50
1.00 31.27
1.00 32.90
1.00 26.75
0.50 32.67
0.50 32.34
1.00 34.05
1.00 31.47
0.50 35.59
0.50 35.21
0.50 37.25
0.50 33.47
1.00 26.72
1.00 25.35
1.00 25.20
1.00 26.75
1.00 28.80
1.00 31.17
1.00 24.66
1.00 27.22
1.00 30.08
1.00 29.61
1.00 27.07
1.00 27.08
1.00 27.94
1.00 25.61
1.00 28.20
1.00 25.63
1.00 27.01
1.00 26.96
0.50 27.12
0.50 27.40
1.00 29.29
1.00 29.16
0.50 32.17
0.50 32.92
0.50 36.47
0.50 33.80
0.50 32.01
0.50 41.27
1.00 30.81
1.00 33.65
1.00 32.49
1.00 33.74
1.00 35.84
1.00 37.44
1.00 40.26
1.00 40.83
1.00 46.51
1.00 43.75
1.00 45.11
1.00 31.42
1.00 35.62
1.00 31.96
1.00 39.92
1.00 35.65
1.00 35.98
1.00 40.72
1.00 36.39
1.00 41.80
1.00 45.56
1.00 36.49
1.00 50.17
1.00 52.25
1.00 68.57
1.00 71.86
1.00 47.12
1.00 44.70
1.00 58.81
1.00 53.04
1.00 48.42
1.00 47.90
1.00 45.89
1.00 40.51
1.00 52.25
1.00 47.92
1.00 59.54
1.00 56.75
1.00 43.16
1.00 38.93
1.00 39.87
1.00 38.62
1.00 34.98
1.00 33.42
1.00 32.25
1.00 33.19
1.00 31.73
1.00 38.00
1.00 44.04
1.00 42.71
1.00 38.65
1.00 45.64
1.00 42.82
1.00 30.95
1.00 28.64
1.00 26.75
1.00 31.85
1.00 28.19
1.00 28.21
1.00 30.58
1.00 30.88
1.00 32.44
1.00 31.16
1.00 34.28
1.00 39.16
1.00 24.20
1.00 26.91
1.00 26.90
1.00 27.35
1.00 30.71
1.00 29.03
1.00 33.06
1.00 29.11
1.00 32.25
1.00 29.94
1.00 29.39
1.00 26.73
1.00 28.29
1.00 36.88
1.00 30.06
1.00 27.12
1.00 30.68
1.00 28.29
1.00 31.02
1.00 26.88
1.00 24.01
1.00 27.49
1.00 28.51
1.00 29.85
1.00 32.48
1.00 35.91
1.00 36.01
1.00 27.70
1.00 27.81
1.00 27.60
1.00 32.92
1.00 32.35
1.00 37.43
1.00 30.48
1.00 31.78
1.00 35.30
1.00 38.37
1.00 37.55
1.00 42.16
1.00 48.02
1.00 35.51
1.00 35.50
1.00 36.07
1.00 37.30
1.00 39.18
1.00 36.74
1.00 33.61
1.00 34.37
1.00 48.66
1.00 58.26
OD1 ASP A 102
1.00 60.10
OD2 ASP A 102
1.00 77.77
1.00 30.40
1.00 26.28
1.00 27.92
1.00 27.33
1.00 31.66
1.00 33.30
CD1 LEU A 103
1.00 39.81
CD2 LEU A 103
1.00 38.23
1.00 25.87
1.00 27.67
1.00 26.75
1.00 25.51
1.00 29.03
1.00 27.17
CD1 PHE A 104
1.00 35.31
CD2 PHE A 104
1.00 33.84
CE1 PHE A 104
1.00 39.39
CE2 PHE A 104
1.00 33.61
1.00 29.91
1.00 26.85
1.00 28.52
1.00 25.44
1.00 29.06
1.00 34.87
1.00 48.98
OD1 ASN A 105
1.00 41.24
ND2 ASN A 105
1.00 51.19
1.00 28.25
1.00 31.99
1.00 29.21
1.00 28.74
1.00 38.79
1.00 35.47
OD1 ASN A 106
1.00 43.06
ND2 ASN A 106
1.00 53.03
1.00 24.97
1.00 30.76
1.00 28.15
1.00 26.21
1.00 23.44
1.00 24.62
1.00 26.42
1.00 23.03
1.00 25.38
1.00 26.97
CD1 TYR A 108
1.00 29.69
CD2 TYR A 108
1.00 28.15
CE1 TYR A 108
1.00 31.68
CE2 TYR A 108
1.00 31.06
1.00 34.29
1.00 39.82
1.00 25.00
CA AARG A 109
0.50 24.98
CA BARG A 109
0.50 27.96
1.00 24.15
1.00 24.57
CB AARG A 109
0.50 27.95
CB BARG A 109
0.50 35.64
CG AARG A 109
0.50 28.16
CG BARG A 109
0.50 39.62
CD AARG A 109
0.50 24.57
CD BARG A 109
0.50 42.33
NE AARG A 109
0.50 18.72
NE BARG A 109
0.50 41.33
CZ AARG A 109
0.50 20.21
CZ BARG A 109
0.50 42.05
NH1AARG A 109
0.50 24.84
NH1BARG A 109
0.50 35.97
NH2AARG A 109
0.50 25.72
NH2BARG A 109
0.50 38.22
1.00 23.76
1.00 25.38
1.00 26.43
1.00 25.08
1.00 28.76
1.00 29.65
CD1 TYR A 110
1.00 32.07
CD2 TYR A 110
1.00 34.11
CE1 TYR A 110
1.00 34.75
CE2 TYR A 110
1.00 32.11
1.00 39.17
1.00 43.60
1.00 23.05
1.00 21.81
1.00 20.47
1.00 23.32
1.00 22.79
1.00 25.47
CD1 LEU A 111
1.00 29.50
CD2 LEU A 111
1.00 28.91
1.00 19.92
CA AASN A 112
0.50 21.07
CA BASN A 112
0.50 21.16
1.00 22.65
1.00 22.40
CB AASN A 112
0.50 22.75
CB BASN A 112
0.50 22.47
CG AASN A 112
0.50 22.51
CG BASN A 112
0.50 24.84
OD1AASN A 112
0.50 28.42
OD1BASN A 112
0.50 25.08
ND2AASN A 112
0.50 24.37
ND2BASN A 112
0.50 20.15
1.00 20.99
1.00 22.45
1.00 24.54
1.00 25.02
1.00 23.38
1.00 22.47
CD1 TRP A 113
1.00 26.15
CD2 TRP A 113
1.00 24.94
NE1 TRP A 113
1.00 27.61
CE2 TRP A 113
1.00 24.83
CE3 TRP A 113
1.00 27.50
CZ2 TRP A 113
1.00 25.71
CZ3 TRP A 113
1.00 32.78
CH2 TRP A 113
1.00 25.71
1.00 21.16
1.00 21.18
1.00 23.94
1.00 24.11
1.00 24.64
1.00 25.70
CD1 LEU A 114
1.00 27.14
CD2 LEU A 114
1.00 31.04
1.00 20.34
1.00 22.40
1.00 24.11
1.00 24.83
1.00 23.08
CG1 ILE A 115
1.00 26.09
CG2 ILE A 115
1.00 27.30
CD1 ILE A 115
1.00 26.27
1.00 20.69
1.00 20.50
1.00 18.84
1.00 22.03
1.00 22.39
1.00 28.74
OD1 ASP A 116
1.00 26.79
OD2 ASP A 116
1.00 33.43
1.00 18.84
1.00 20.23
1.00 19.98
1.00 20.65
1.00 21.90
CG1 VAL A 117
1.00 23.28
CG2 VAL A 117
1.00 22.54
1.00 21.37
1.00 22.60
1.00 23.02
1.00 23.64
1.00 26.03
1.00 32.92
1.00 23.90
1.00 19.03
CA AMET A 119
0.35 18.96
CA BMET A 119
0.35 19.56
CA CMET A 119
0.30 19.37
1.00 18.30
1.00 20.52
CB AMET A 119
0.35 20.13
CB BMET A 119
0.35 21.73
CB CMET A 119
0.30 20.91
CG AMET A 119
0.35 22.76
CG BMET A 119
0.35 26.14
CG CMET A 119
0.30 24.26
SD AMET A 119
0.35 21.82
SD BMET A 119
0.35 27.83
SD CMET A 119
0.30 24.30
CE AMET A 119
0.35 19.87
CE BMET A 119
0.35 26.92
CE CMET A 119
0.30 20.92
1.00 17.42
1.00 17.47
1.00 18.73
1.00 18.12
1.00 18.75
1.00 18.54
CD1 LEU A 120
1.00 22.76
CD2 LEU A 120
1.00 18.41
1.00 18.35
1.00 19.30
1.00 22.37
1.00 23.02
1.00 19.84
1.00 18.91
CD1 LEU A 121
1.00 22.42
CD2 LEU A 121
1.00 22.84
1.00 20.73
1.00 23.92
1.00 21.85
1.00 20.53
1.00 25.33
1.00 30.51
CD1 PHE A 122
1.00 32.31
CD2 PHE A 122
1.00 34.03
CE1 PHE A 122
1.00 40.75
CE2 PHE A 122
1.00 35.41
1.00 35.10
1.00 18.61
1.00 18.15
1.00 16.67
1.00 19.22
1.00 19.65
1.00 20.82
1.00 19.57
OE1 GLN A 123
1.00 19.60
NE2 GLN A 123
1.00 21.40
1.00 18.49
1.00 18.12
1.00 17.78
1.00 18.90
1.00 18.87
CG1 ILE A 124
1.00 21.32
CG2 ILE A 124
1.00 20.06
CD1 ILE A 124
1.00 24.28
1.00 17.83
1.00 19.49
1.00 20.69
1.00 23.26
1.00 19.47
1.00 21.20
CD1 LEU A 125
1.00 26.82
CD2 LEU A 125
1.00 25.32
1.00 19.44
1.00 20.73
1.00 24.41
1.00 24.51
1.00 19.74
1.00 21.83
CD1 PHE A 126
1.00 24.98
CD2 PHE A 126
1.00 22.14
CE1 PHE A 126
1.00 28.04
CE2 PHE A 126
1.00 25.28
1.00 26.80
1.00 19.37
1.00 19.45
1.00 20.16
1.00 23.96
1.00 21.63
CG1 VAL A 127
1.00 21.98
CG2 VAL A 127
1.00 21.54
1.00 19.14
1.00 21.59
1.00 23.72
1.00 22.43
1.00 22.39
CG1 VAL A 128
1.00 27.99
CG2 VAL A 128
1.00 24.00
1.00 20.62
CA ASER A 129
0.50 22.96
CA BSER A 129
0.50 24.77
1.00 21.86
1.00 22.76
CB ASER A 129
0.50 25.14
CB BSER A 129
0.50 30.21
OG ASER A 129
0.50 23.57
OG BSER A 129
0.50 34.50
1.00 20.36
1.00 19.19
1.00 18.26
1.00 20.77
1.00 19.59
1.00 21.10
CD1 LEU A 130
1.00 25.28
CD2 LEU A 130
1.00 21.93
1.00 18.76
1.00 20.30
1.00 22.61
1.00 21.92
1.00 23.36
OG1 THR A 131
1.00 23.51
CG2 THR A 131
1.00 28.30
1.00 23.14
1.00 24.88
1.00 26.81
1.00 22.81
1.00 28.20
OG1 THR A 132
1.00 32.50
CG2 THR A 132
1.00 39.93
1.00 22.76
1.00 23.59
1.00 23.17
1.00 23.93
1.00 24.47
1.00 25.10
1.00 23.42
1.00 25.57
1.00 22.74
1.00 22.59
1.00 28.30
1.00 36.77
1.00 35.24
1.00 47.20
1.00 21.71
1.00 22.05
1.00 25.53
1.00 22.98
1.00 23.10
1.00 25.92
CD1 PHE A 135
1.00 35.25
CD2 PHE A 135
1.00 33.40
CE1 PHE A 135
1.00 40.01
CE2 PHE A 135
1.00 35.52
1.00 37.85
1.00 23.78
1.00 25.30
1.00 22.22
1.00 25.93
1.00 31.57
1.00 29.92
1.00 22.10
CA ASER A 137
0.50 23.38
CA BSER A 137
0.50 25.75
1.00 25.61
1.00 24.53
CB ASER A 137
0.50 25.08
CB BSER A 137
0.50 29.72
OG ASER A 137
0.50 22.50
OG BSER A 137
0.50 38.12
1.00 22.17
1.00 22.87
1.00 20.54
1.00 22.01
1.00 22.83
CG1 VAL A 138
1.00 23.18
CG2 VAL A 138
1.00 23.51
1.00 20.80
1.00 20.72
1.00 24.59
1.00 24.36
1.00 22.82
1.00 29.20
1.00 34.82
1.00 34.53
1.00 39.68
NH1 ARG A 139
1.00 39.49
NH2 ARG A 139
1.00 35.43
1.00 24.01
1.00 27.10
1.00 25.07
1.00 27.53
1.00 29.79
1.00 25.87
OD1 ASN A 140
1.00 27.31
ND2 ASN A 140
1.00 34.25
1.00 23.45
1.00 26.61
1.00 26.65
1.00 25.55
1.00 28.29
1.00 35.47
1.00 59.25
OE1 GLN A 141
1.00 64.17
NE2 GLN A 141
1.00 70.45
1.00 21.89
1.00 22.97
1.00 23.10
1.00 24.84
1.00 18.99
1.00 19.38
CD1 PHE A 142
1.00 20.55
CD2 PHE A 142
1.00 21.56
CE1 PHE A 142
1.00 22.91
CE2 PHE A 142
1.00 21.50
1.00 21.32
1.00 24.67
1.00 26.20
1.00 27.67
1.00 27.46
1.00 26.26
1.00 29.29
CD1 TRP A 143
1.00 30.10
CD2 TRP A 143
1.00 29.19
NE1 TRP A 143
1.00 29.41
CE2 TRP A 143
1.00 31.28
CE3 TRP A 143
1.00 33.45
CZ2 TRP A 143
1.00 32.89
CZ3 TRP A 143
1.00 38.55
CH2 TRP A 143
1.00 38.56
1.00 26.10
1.00 26.75
1.00 29.77
1.00 29.89
1.00 29.17
1.00 32.79
CD1 PHE A 144
1.00 41.22
CD2 PHE A 144
1.00 36.57
CE1 PHE A 144
1.00 38.99
CE2 PHE A 144
1.00 36.82
1.00 36.39
1.00 26.43
1.00 26.17
1.00 24.55
1.00 23.88
1.00 28.74
1.00 37.48
1.00 22.78
1.00 24.91
1.00 29.89
1.00 26.58
1.00 28.34
1.00 33.50
1.00 28.90
1.00 30.24
1.00 31.95
1.00 26.69
CA AMET A 148
0.50 29.32
CA BMET A 148
0.50 29.37
1.00 29.47
1.00 28.44
CB AMET A 148
0.50 29.85
CB BMET A 148
0.50 33.83
CG AMET A 148
0.50 37.33
CG BMET A 148
0.50 36.56
SD AMET A 148
0.50 34.94
SD BMET A 148
0.50 40.87
CE AMET A 148
0.50 38.33
CE BMET A 148
0.50 27.69
1.00 25.58
1.00 24.64
1.00 24.93
1.00 27.26
1.00 24.27
1.00 23.97
1.00 23.75
1.00 24.39
1.00 24.27
1.00 25.99
1.00 24.78
1.00 30.10
1.00 27.43
CG1 ILE A 150
1.00 25.01
CG2 ILE A 150
1.00 25.43
CD1 ILE A 150
1.00 26.58
1.00 26.04
1.00 32.71
1.00 31.80
1.00 33.06
1.00 34.08
CG1 ILE A 151
1.00 36.08
CG2 ILE A 151
1.00 41.17
CD1 ILE A 151
1.00 39.15
1.00 29.96
1.00 27.32
1.00 35.71
1.00 32.32
1.00 34.53
OG1 THR A 152
1.00 30.90
CG2 THR A 152
1.00 35.41
1.00 27.16
1.00 28.00
1.00 29.98
1.00 30.69
1.00 28.36
1.00 30.28
1.00 30.51
1.00 36.37
1.00 31.70
1.00 32.51
CD1 TYR A 154
1.00 29.96
CD2 TYR A 154
1.00 40.04
CE1 TYR A 154
1.00 37.86
CE2 TYR A 154
1.00 37.13
1.00 39.16
1.00 45.01
1.00 32.00
1.00 36.04
1.00 42.92
1.00 35.68
1.00 38.83
CG1 ILE A 155
1.00 40.40
CG2 ILE A 155
1.00 43.95
CD1 ILE A 155
1.00 35.32
1.00 32.09
1.00 30.44
1.00 34.89
1.00 30.51
1.00 30.16
CA AGLN A 157
0.50 31.26
CA BGLN A 157
0.50 29.01
1.00 33.49
1.00 33.66
CB AGLN A 157
0.50 40.32
CB BGLN A 157
0.50 35.25
CG AGLN A 157
0.50 43.77
CG BGLN A 157
0.50 31.12
CD AGLN A 157
0.50 53.57
CD BGLN A 157
0.50 37.42
OE1AGLN A 157
0.50 56.07
OE1BGLN A 157
0.50 33.98
NE2AGLN A 157
0.50 60.44
NE2BGLN A 157
0.50 34.43
1.00 35.83
CA APHE A 158
0.50 47.54
CA BPHE A 158
0.50 49.00
1.00 46.06
1.00 40.66
CB APHE A 158
0.50 45.44
CB BPHE A 158
0.50 48.71
CG APHE A 158
0.50 56.38
CG BPHE A 158
0.50 61.94
CD1APHE A 158
0.50 56.83
CD1BPHE A 158
0.50 59.96
CD2APHE A 158
0.50 52.70
CD2BPHE A 158
0.50 68.20
CE1APHE A 158
0.50 57.99
CE1BPHE A 158
0.50 60.62
CE2APHE A 158
0.50 56.44
CE2BPHE A 158
0.50 68.24
CZ APHE A 158
0.50 61.54
CZ BPHE A 158
0.50 61.48
1.00 37.82
1.00 33.93
1.00 36.01
1.00 36.71
1.00 33.06
1.00 41.19
CD1 TYR A 159
1.00 46.62
CD2 TYR A 159
1.00 42.09
CE1 TYR A 159
1.00 51.45
CE2 TYR A 159
1.00 47.65
1.00 55.27
1.00 62.06
1.00 31.01
CA AGLU A 160
0.50 28.49
CA BGLU A 160
0.50 30.55
1.00 37.17
1.00 43.23
CB AGLU A 160
0.50 34.64
CB BGLU A 160
0.50 38.89
CG AGLU A 160
0.50 35.33
CG BGLU A 160
0.50 40.76
CD AGLU A 160
0.50 36.34
CD BGLU A 160
0.50 42.70
OE1AGLU A 160
0.50 34.52
OE1BGLU A 160
0.50 47.39
OE2AGLU A 160
0.50 38.03
OE2BGLU A 160
0.50 35.28
1.00 36.16
1.00 39.30
1.00 33.56
1.00 47.73
1.00 41.69
CG1 VAL A 161
1.00 44.36
CG2 VAL A 161
1.00 39.54
1.00 40.13
1.00 39.86
1.00 45.27
1.00 39.51
1.00 45.70
1.00 53.46
1.00 34.51
1.00 36.26
1.00 38.37
1.00 33.22
1.00 36.37
1.00 34.30
OD1 ASN A 163
1.00 41.28
ND2 ASN A 163
1.00 49.37
1.00 36.94
CA ALEU A 164
0.70 52.37
CA BLEU A 164
0.30 42.91
1.00 52.25
1.00 38.36
CB ALEU A 164
0.70 51.88
CB BLEU A 164
0.30 37.20
CG ALEU A 164
0.70 61.05
CG BLEU A 164
0.30 35.10
CD1ALEU A 164
0.70 62.25
CD1BLEU A 164
0.30 35.63
CD2ALEU A 164
0.70 70.63
CD2BLEU A 164
0.30 30.01
1.00 41.76
1.00 44.35
1.00 38.68
1.00 38.87
1.00 56.83
OG1 THR A 165
1.00 51.97
CG2 THR A 165
1.00 52.40
1.00 32.83
1.00 34.02
1.00 32.11
1.00 32.12
1.00 37.67
1.00 31.48
1.00 29.57
1.00 37.56
1.00 29.45
1.00 32.65
1.00 31.43
CD1 PHE A 167
1.00 37.55
CD2 PHE A 167
1.00 31.73
CE1 PHE A 167
1.00 34.36
CE2 PHE A 167
1.00 36.16
1.00 31.84
1.00 30.34
1.00 36.57
1.00 35.95
1.00 31.80
1.00 36.54
1.00 36.20
CD1 LEU A 168
1.00 42.96
CD2 LEU A 168
1.00 35.91
1.00 35.13
1.00 39.30
1.00 33.85
1.00 33.55
1.00 39.23
CG1 VAL A 169
1.00 40.27
CG2 VAL A 169
1.00 40.66
1.00 31.68
1.00 31.43
1.00 29.03
1.00 30.79
1.00 34.30
1.00 39.72
CD1 TRP A 170
1.00 43.69
CD2 TRP A 170
1.00 40.64
NE1 TRP A 170
1.00 40.53
CE2 TRP A 170
1.00 43.21
CE3 TRP A 170
1.00 38.96
CZ2 TRP A 170
1.00 48.14
CZ3 TRP A 170
1.00 44.39
CH2 TRP A 170
1.00 48.99
1.00 26.52
1.00 32.31
1.00 30.55
1.00 27.02
1.00 28.89
1.00 30.03
1.00 28.42
1.00 32.20
1.00 36.68
1.00 28.43
1.00 32.16
1.00 33.65
1.00 30.05
1.00 35.30
CG1 ILE A 173
1.00 41.83
CG2 ILE A 173
1.00 37.21
CD1 ILE A 173
1.00 37.26
1.00 27.09
1.00 27.37
1.00 28.28
1.00 26.44
1.00 26.99
1.00 26.64
1.00 26.27
1.00 25.33
1.00 27.93
1.00 26.53
1.00 28.66
1.00 29.86
1.00 26.69
1.00 28.37
1.00 26.75
1.00 25.75
1.00 32.48
1.00 26.63
1.00 26.48
1.00 25.28
1.00 24.48
1.00 28.03
1.00 33.76
CD1 PHE A 177
1.00 31.95
CD2 PHE A 177
1.00 33.55
CE1 PHE A 177
1.00 35.86
CE2 PHE A 177
1.00 35.43
1.00 36.90
1.00 23.99
CA APHE A 178
0.50 23.89
CA BPHE A 178
0.50 23.90
1.00 26.71
1.00 22.38
CB APHE A 178
0.50 23.21
CB BPHE A 178
0.50 23.22
CG APHE A 178
0.50 25.22
CG BPHE A 178
0.50 25.23
CD1APHE A 178
0.50 28.29
CD1BPHE A 178
0.50 28.34
CD2APHE A 178
0.50 29.71
CD2BPHE A 178
0.50 29.73
CE1APHE A 178
0.50 28.90
CE1BPHE A 178
0.50 28.97
CE2APHE A 178
0.50 25.72
CE2BPHE A 178
0.50 25.75
CZ APHE A 178
0.50 29.71
CZ BPHE A 178
0.50 29.74
1.00 23.40
CA APHE A 179
0.50 24.53
CA BPHE A 179
0.50 24.54
1.00 21.69
1.00 25.54
CB APHE A 179
0.50 27.15
CB BPHE A 179
0.50 26.97
CG APHE A 179
0.50 31.70
CG BPHE A 179
0.50 31.75
CD1APHE A 179
0.50 44.17
CD1BPHE A 179
0.50 44.44
CD2APHE A 179
0.50 39.34
CD2BPHE A 179
0.50 36.97
CE1APHE A 179
0.50 41.28
CE1BPHE A 179
0.50 53.57
CE2APHE A 179
0.50 41.45
CE2BPHE A 179
0.50 39.20
CZ APHE A 179
0.50 38.03
CZ BPHE A 179
0.50 45.09
1.00 22.62
1.00 22.98
1.00 24.68
1.00 23.47
1.00 26.99
1.00 31.90
ND1 HIS A 180
1.00 34.13
CD2 HIS A 180
1.00 31.60
CE1 HIS A 180
1.00 32.58
NE2 HIS A 180
1.00 33.75
1.00 21.81
1.00 20.81
1.00 20.40
1.00 21.28
1.00 20.62
CG1 ILE A 181
1.00 21.72
CG2 ILE A 181
1.00 23.79
CD1 ILE A 181
1.00 23.03
1.00 21.06
1.00 22.87
1.00 22.43
1.00 21.87
1.00 26.82
1.00 26.67
CD1 LEU A 182
1.00 26.53
CD2 LEU A 182
1.00 29.52
1.00 22.05
1.00 24.72
1.00 22.27
1.00 24.25
1.00 27.83
1.00 38.16
CD1 TRP A 183
1.00 51.64
CD2 TRP A 183
1.00 44.30
NE1 TRP A 183
1.00 53.16
CE2 TRP A 183
1.00 55.87
CE3 TRP A 183
1.00 58.36
CZ2 TRP A 183
1.00 65.49
CZ3 TRP A 183
1.00 63.47
CH2 TRP A 183
1.00 68.88
1.00 19.96
1.00 19.56
1.00 22.72
1.00 22.35
1.00 21.91
CG1 VAL A 184
1.00 21.09
CG2 VAL A 184
1.00 24.91
1.00 19.53
1.00 19.19
1.00 18.51
1.00 20.04
1.00 19.75
1.00 20.45
1.00 21.38
1.00 22.86
1.00 20.54
1.00 23.76
1.00 22.60
1.00 23.45
1.00 26.82
1.00 32.95
1.00 40.30
1.00 50.36
1.00 22.16
1.00 23.06
1.00 20.49
1.00 22.10
1.00 27.52
1.00 38.67
1.00 40.43
1.00 20.09
1.00 19.10
1.00 18.93
1.00 20.61
1.00 18.79
CG1 VAL A 188
1.00 20.63
CG2 VAL A 188
1.00 22.30
1.00 19.08
1.00 18.88
1.00 19.06
1.00 21.53
1.00 24.22
CG1 ILE A 189
1.00 27.40
CG2 ILE A 189
1.00 27.66
CD1 ILE A 189
1.00 30.72
1.00 19.31
1.00 21.16
1.00 23.47
1.00 22.78
1.00 21.87
1.00 30.14
OD1 ASN A 190
1.00 38.34
ND2 ASN A 190
1.00 40.64
1.00 20.72
1.00 19.05
1.00 20.04
1.00 20.86
1.00 21.21
1.00 21.66
1.00 23.72
OE1 GLU A 191
1.00 21.76
OE2 GLU A 191
1.00 27.99
1.00 20.27
1.00 19.32
1.00 21.53
1.00 21.69
1.00 20.04
1.00 22.42
1.00 27.20
1.00 24.24
1.00 22.87
1.00 24.39
1.00 30.24
0.50 23.68
0.50 19.47
1.00 23.18
CA AGLU A 194
0.50 26.69
CA BGLU A 194
0.50 26.51
1.00 27.31
1.00 30.11
CB AGLU A 194
0.50 28.51
CB BGLU A 194
0.50 28.25
CG AGLU A 194
0.50 30.97
CG BGLU A 194
0.50 31.54
CD AGLU A 194
0.50 40.75
CD BGLU A 194
0.50 37.66
OE2AGLU A 194
0.50 46.70
OE2BGLU A 194
0.50 44.02
1.00 30.48
1.00 43.24
1.00 51.95
1.00 58.21
1.00 29.04
1.00 26.90
1.00 21.57
1.00 26.58
1.00 29.66
CG1 ILE A 196
1.00 28.11
CG2 ILE A 196
1.00 34.12
CD1 ILE A 196
1.00 25.79
1.00 22.48
1.00 22.59
1.00 25.58
1.00 23.24
1.00 22.82
1.00 24.83
1.00 18.87
1.00 20.67
1.00 19.93
1.00 22.69
1.00 25.86
1.00 19.80
1.00 20.18
1.00 19.26
1.00 23.49
1.00 23.06
1.00 23.27
1.00 24.11
1.00 20.89
1.00 21.94
1.00 23.10
1.00 21.33
1.00 20.12
1.00 19.82
1.00 21.99
1.00 24.09
1.00 22.23
1.00 23.47
1.00 33.40
OE1 GLN A 201
1.00 41.44
NE2 GLN A 201
1.00 39.09
1.00 19.54
1.00 22.45
1.00 20.46
1.00 20.91
1.00 23.99
1.00 19.48
1.00 18.86
1.00 19.02
1.00 20.19
1.00 20.71
CG1 ILE A 203
1.00 23.52
CG2 ILE A 203
1.00 21.04
CD1 ILE A 203
1.00 24.74
1.00 18.47
1.00 19.36
1.00 21.08
1.00 19.91
1.00 19.53
1.00 21.81
CD1 LEU A 204
1.00 24.57
CD2 LEU A 204
1.00 22.00
1.00 20.71
1.00 22.38
1.00 20.53
1.00 22.27
1.00 26.28
0.50 16.72
1.00 19.35
1.00 21.32
1.00 22.61
1.00 22.02
1.00 22.97
1.00 31.25
OD1 ASN A 206
1.00 37.48
ND2 ASN A 206
1.00 32.94
1.00 20.30
1.00 18.36
1.00 19.25
1.00 19.62
1.00 17.73
CG1 ILE A 207
1.00 19.88
CG2 ILE A 207
1.00 21.54
CD1 ILE A 207
1.00 22.40
1.00 18.73
1.00 18.21
1.00 18.51
1.00 20.55
1.00 20.56
1.00 22.12
CD1 TRP A 208
1.00 28.21
CD2 TRP A 208
1.00 23.14
NE1 TRP A 208
1.00 28.47
CE2 TRP A 208
1.00 27.21
CE3 TRP A 208
1.00 22.18
CZ2 TRP A 208
1.00 26.88
CZ3 TRP A 208
1.00 24.72
CH2 TRP A 208
1.00 29.67
1.00 19.04
1.00 21.22
1.00 18.75
1.00 21.27
1.00 23.78
CG1 ILE A 209
1.00 27.82
CG2 ILE A 209
1.00 28.48
CD1 ILE A 209
1.00 36.03
1.00 20.12
1.00 18.59
1.00 19.53
1.00 19.35
1.00 19.88
1.00 24.83
CD1 LEU A 210
1.00 26.93
CD2 LEU A 210
1.00 29.79
1.00 19.69
1.00 19.98
1.00 22.44
1.00 20.47
1.00 19.21
1.00 19.84
CD1 PHE A 211
1.00 19.91
CD2 PHE A 211
1.00 23.64
CE1 PHE A 211
1.00 20.45
CE2 PHE A 211
1.00 21.55
1.00 22.60
1.00 20.62
1.00 21.71
1.00 20.50
1.00 23.87
1.00 26.33
1.00 30.38
CD1 LEU A 212
1.00 29.37
CD2 LEU A 212
1.00 32.97
1.00 19.43
1.00 20.20
1.00 22.00
1.00 23.08
1.00 23.55
CG1 ILE A 213
1.00 25.95
CG2 ILE A 213
1.00 27.54
CD1 ILE A 213
1.00 27.93
1.00 19.86
1.00 19.56
1.00 20.14
1.00 20.15
1.00 20.10
1.00 20.23
1.00 18.65
1.00 19.74
1.00 21.65
1.00 22.43
1.00 21.11
1.00 21.94
CD1 TRP A 215
1.00 19.69
CD2 TRP A 215
1.00 19.41
NE1 TRP A 215
1.00 20.29
CE2 TRP A 215
1.00 19.71
CE3 TRP A 215
1.00 26.57
CZ2 TRP A 215
1.00 23.13
CZ3 TRP A 215
1.00 23.35
CH2 TRP A 215
1.00 23.59
1.00 22.30
CA ATHR A 216
0.50 20.85
CA BTHR A 216
0.50 25.57
1.00 22.84
1.00 24.23
CB ATHR A 216
0.50 21.93
CB BTHR A 216
0.50 32.08
OG1ATHR A 216
0.50 18.39
OG1BTHR A 216
0.50 43.58
CG2ATHR A 216
0.50 17.56
CG2BTHR A 216
0.50 29.53
1.00 19.72
1.00 22.31
1.00 24.69
1.00 23.58
1.00 21.20
1.00 22.36
CD1 LEU A 217
1.00 23.16
CD2 LEU A 217
1.00 26.37
1.00 21.04
1.00 21.52
1.00 24.73
1.00 24.19
1.00 24.35
1.00 22.10
CD1 TYR A 218
1.00 21.49
CD2 TYR A 218
1.00 23.43
CE1 TYR A 218
1.00 23.80
CE2 TYR A 218
1.00 23.16
1.00 22.71
1.00 25.76
1.00 23.34
1.00 25.12
1.00 24.47
1.00 26.48
1.00 26.71
1.00 24.32
1.00 25.06
1.00 22.92
1.00 26.64
1.00 27.80
1.00 26.79
1.00 22.62
1.00 23.49
1.00 24.01
1.00 25.61
1.00 23.69
1.00 23.37
1.00 24.55
1.00 27.24
1.00 27.27
1.00 24.14
1.00 23.76
CD1 TYR A 222
1.00 26.08
CD2 TYR A 222
1.00 27.55
CE1 TYR A 222
1.00 23.80
CE2 TYR A 222
1.00 24.53
1.00 28.28
1.00 30.54
1.00 25.63
1.00 29.35
1.00 28.99
1.00 29.39
1.00 29.50
1.00 30.92
CD1 LEU A 223
1.00 32.60
CD2 LEU A 223
1.00 32.78
1.00 24.78
1.00 26.61
1.00 31.09
1.00 30.06
1.00 31.49
1.00 26.36
1.00 33.17
1.00 34.87
1.00 29.39
1.00 38.16
1.00 42.05
1.00 38.81
1.00 34.67
1.00 39.62
1.00 33.03
1.00 34.86
CA ATYR A 226
0.50 34.58
CA BTYR A 226
0.50 37.00
1.00 40.90
1.00 39.50
CB ATYR A 226
0.50 34.84
CB BTYR A 226
0.50 41.03
CG ATYR A 226
0.50 38.26
CG BTYR A 226
0.50 45.38
CD1ATYR A 226
0.50 30.76
CD1BTYR A 226
0.50 47.45
CD2ATYR A 226
0.50 28.59
CD2BTYR A 226
0.50 50.86
CE1ATYR A 226
0.50 32.43
CE1BTYR A 226
0.50 49.77
CE2ATYR A 226
0.50 30.53
CE2BTYR A 226
0.50 42.97
CZ ATYR A 226
0.50 35.13
CZ BTYR A 226
0.50 54.36
OH ATYR A 226
0.50 38.99
OH BTYR A 226
0.50 46.33
1.00 36.36
1.00 37.97
1.00 46.70
1.00 47.54
1.00 37.74
1.00 33.53
CD1 LEU A 227
1.00 38.47
CD2 LEU A 227
1.00 42.40
1.00 48.35
1.00 49.25
1.00 53.35
1.00 56.24
1.00 46.58
OG1 THR A 228
1.00 40.92
CG2 THR A 228
1.00 48.56
1.00 59.35
1.00 52.96
1.00 66.25
1.00 91.24
0.50 67.11
0.50 62.07
0.50 63.49
0.50 50.70
0.50 54.89
CG1 VAL A 230
0.50 59.00
CG2 VAL A 230
0.50 55.56
1.00 68.44
1.00 73.65
1.00 67.26
1.00 73.79
1.00 72.37
1.00 62.79
1.00 51.15
1.00 41.63
1.00 42.34
1.00 39.47
1.00 49.64
1.00 47.77
1.00 40.27
1.00 52.47
1.00 73.46
CD1 PHE A 233
1.00 73.98
CD2 PHE A 233
1.00 97.91
CE1 PHE A 233
1.00 76.99
CE2 PHE A 233
1.00 98.49
1.00 89.44
1.00 41.81
1.00 38.22
1.00 37.77
1.00 33.73
1.00 32.25
1.00 36.53
CD1 LEU A 234
1.00 38.91
CD2 LEU A 234
1.00 38.59
1.00 35.78
1.00 36.30
1.00 49.60
1.00 44.90
1.00 43.23
1.00 35.45
CD1 TYR A 235
1.00 44.38
CD2 TYR A 235
1.00 44.51
CE1 TYR A 235
1.00 49.64
CE2 TYR A 235
1.00 41.43
1.00 51.42
1.00 53.56
1.00 39.13
1.00 34.43
1.00 38.75
1.00 32.66
1.00 41.77
1.00 39.08
1.00 33.69
1.00 35.06
1.00 33.10
1.00 29.60
1.00 31.27
1.00 34.72
1.00 37.99
OE1 GLU A 237
1.00 54.12
OE2 GLU A 237
1.00 36.76
1.00 29.98
1.00 32.68
1.00 31.14
1.00 32.62
1.00 41.64
1.00 41.30
OD1 ASP A 238
1.00 44.32
OD2 ASP A 238
1.00 55.75
1.00 28.71
1.00 34.35
1.00 33.47
1.00 29.14
1.00 26.83
1.00 32.36
1.00 28.64
1.00 29.74
1.00 27.33
CG1 VAL A 240
1.00 29.39
CG2 VAL A 240
1.00 29.05
1.00 27.57
CA AMET A 241
0.50 27.55
CA BMET A 241
0.50 29.15
1.00 31.87
1.00 27.33
CB AMET A 241
0.50 28.25
CB BMET A 241
0.50 32.35
CG AMET A 241
0.50 29.68
CG BMET A 241
0.50 36.61
SD AMET A 241
0.50 29.76
SD BMET A 241
0.50 38.36
CE AMET A 241
0.50 32.40
CE BMET A 241
0.50 30.81
1.00 26.51
1.00 27.58
1.00 26.30
1.00 25.15
1.00 29.30
1.00 26.00
1.00 25.85
1.00 27.39
1.00 24.75
1.00 27.34
1.00 28.36
1.00 28.43
1.00 27.50
1.00 34.01
NH1 ARG A 243
1.00 36.00
NH2 ARG A 243
1.00 30.94
1.00 25.31
CA AGLN A 244
0.50 24.41
CA BGLN A 244
0.50 26.14
1.00 26.81
1.00 25.67
CB AGLN A 244
0.50 25.13
CB BGLN A 244
0.50 29.80
CG AGLN A 244
0.50 25.50
CG BGLN A 244
0.50 31.70
CD AGLN A 244
0.50 26.89
CD BGLN A 244
0.50 40.92
OE1AGLN A 244
0.50 31.83
OE1BGLN A 244
0.50 35.33
NE2AGLN A 244
0.50 24.24
NE2BGLN A 244
0.50 42.58
1.00 23.29
1.00 26.06
1.00 23.37
1.00 25.07
1.00 26.72
1.00 29.41
CD1 LEU A 245
1.00 34.31
CD2 LEU A 245
1.00 36.76
1.00 22.71
1.00 23.65
1.00 24.24
1.00 22.14
1.00 22.65
CG1 VAL A 246
1.00 24.09
CG2 VAL A 246
1.00 25.75
1.00 22.25
1.00 23.77
1.00 24.56
1.00 23.04
1.00 23.84
1.00 25.56
CD1 TYR A 247
1.00 25.62
CD2 TYR A 247
1.00 25.80
CE1 TYR A 247
1.00 27.01
CE2 TYR A 247
1.00 24.49
1.00 27.01
1.00 29.02
1.00 24.25
1.00 25.20
1.00 23.63
1.00 24.31
1.00 26.76
OG1 THR A 248
1.00 27.15
CG2 THR A 248
1.00 27.83
1.00 22.07
1.00 22.72
1.00 22.60
1.00 21.36
1.00 24.33
CG1 ILE A 249
1.00 31.46
CG2 ILE A 249
1.00 25.54
CD1 ILE A 249
1.00 31.81
1.00 20.91
1.00 21.57
1.00 20.76
1.00 19.78
1.00 20.63
1.00 20.26
1.00 21.47
1.00 21.83
1.00 21.38
1.00 22.77
1.00 24.91
OD1 ASP A 251
1.00 28.48
OD2 ASP A 251
1.00 41.12
1.00 21.35
1.00 22.01
1.00 21.51
1.00 21.55
1.00 24.77
CG1 VAL A 252
1.00 27.38
CG2 VAL A 252
1.00 26.95
1.00 19.64
1.00 18.84
1.00 19.36
1.00 19.61
1.00 23.14
1.00 27.30
1.00 19.18
1.00 19.64
1.00 22.31
1.00 18.69
1.00 20.40
1.00 20.41
HETATM 2128
1.00 19.33
HETATM 2129
1.00 18.39
HETATM 2130
1.00 19.35
HETATM 2131
1.00 20.44
HETATM 2132
1.00 19.11
HETATM 2133
1.00 20.63
HETATM 2134
1.00 24.26
HETATM 2135
1.00 33.68
HETATM 2136
1.00 27.20
HETATM 2137
1.00 30.16
HETATM 2138
1.00 29.43
HETATM 2139
1.00 22.10
HETATM 2140
1.00 23.20
HETATM 2141
1.00 23.94
HETATM 2142
1.00 23.80
HETATM 2143
1.00 20.14
HETATM 2144
C80 LYR A 255
1.00 22.40
HETATM 2145
1.00 21.31
HETATM 2146
1.00 22.80
HETATM 2147
C10 LYR A 255
1.00 23.44
HETATM 2148
C11 LYR A 255
1.00 22.10
HETATM 2149
C12 LYR A 255
1.00 23.69
HETATM 2150
C13 LYR A 255
1.00 24.61
HETATM 2151
C14 LYR A 255
1.00 27.46
HETATM 2152
C15 LYR A 255
1.00 27.79
HETATM 2153
C16 LYR A 255
1.00 28.66
HETATM 2154
C17 LYR A 255
1.00 24.44
HETATM 2155
C18 LYR A 255
1.00 24.96
HETATM 2156
C19 LYR A 255
1.00 27.71
1.00 19.19
1.00 18.98
1.00 20.04
1.00 20.63
1.00 22.38
CG1 VAL A 256
1.00 24.06
CG2 VAL A 256
1.00 22.99
1.00 19.19
1.00 21.31
1.00 21.33
1.00 19.44
1.00 23.29
CG1 ILE A 257
1.00 26.91
CG2 ILE A 257
1.00 23.02
CD1 ILE A 257
1.00 27.51
1.00 20.14
1.00 19.04
1.00 17.99
1.00 18.59
1.00 18.72
1.00 18.87
CD1 TYR A 258
1.00 19.91
CD2 TYR A 258
1.00 17.49
CE1 TYR A 258
1.00 20.42
CE2 TYR A 258
1.00 17.86
1.00 18.36
1.00 20.69
1.00 18.93
1.00 17.93
1.00 17.29
1.00 19.65
1.00 18.63
1.00 22.28
1.00 19.88
1.00 20.81
1.00 21.18
CG1 VAL A 260
1.00 23.98
CG2 VAL A 260
1.00 21.81
1.00 18.87
1.00 20.66
1.00 20.64
1.00 19.30
1.00 22.61
1.00 24.59
CD1 LEU A 261
1.00 26.68
CD2 LEU A 261
1.00 33.29
1.00 20.40
CA ALEU A 262
0.70 19.36
CA BLEU A 262
0.30 21.03
1.00 19.73
1.00 19.15
CB ALEU A 262
0.70 19.31
CB BLEU A 262
0.30 23.00
CG ALEU A 262
0.70 21.20
CG BLEU A 262
0.30 25.92
CD1ALEU A 262
0.70 20.55
CD1BLEU A 262
0.30 28.62
CD2ALEU A 262
0.70 20.52
CD2BLEU A 262
0.30 25.23
1.00 20.98
1.00 22.64
1.00 22.09
1.00 23.12
1.00 21.41
1.00 24.75
1.00 25.53
1.00 23.40
1.00 23.83
1.00 30.62
OD1 ASN A 264
1.00 30.85
ND2 ASN A 264
1.00 32.63
1.00 22.10
1.00 22.26
1.00 26.07
1.00 22.78
1.00 22.29
1.00 22.51
CD1 LEU A 265
1.00 24.98
CD2 LEU A 265
1.00 23.96
1.00 21.11
1.00 23.65
1.00 26.08
1.00 27.65
1.00 23.10
1.00 25.42
1.00 28.19
1.00 30.86
1.00 31.90
1.00 33.52
CG1 ILE A 267
1.00 29.44
CG2 ILE A 267
1.00 36.26
CD1 ILE A 267
1.00 35.43
1.00 30.99
CA ATHR A 268
0.70 32.22
CA BTHR A 268
0.30 29.92
1.00 38.68
1.00 36.59
CB ATHR A 268
0.70 32.19
CB BTHR A 268
0.30 26.73
OG1ATHR A 268
0.70 52.98
OG1BTHR A 268
0.30 28.26
CG2ATHR A 268
0.70 34.62
CG2BTHR A 268
0.30 25.89
1.00 32.44
1.00 37.53
1.00 39.47
1.00 55.96
1.00 32.94
1.00 32.30
CD1 LEU A 269
1.00 28.72
CD2 LEU A 269
1.00 45.31
1.00 49.51
1.00 44.94
1.00 58.91
1.00 75.40
1.00 52.12
1.00 31.73
1.00 71.68
1.00 64.43
1.00 72.42
1.00 88.82
1.00 63.08
1.00 69.40
OD1 ASN A 272
1.00 66.80
ND2 ASN A 272
1.00 75.76
1.00 76.43
1.00 80.30
1.00 84.19
1.00 91.08
1.00 61.20
HETATM 2288 NA
1.00 31.60
HETATM 2289
1.00 62.84
HETATM 2290
1.00 58.21
HETATM 2291
1.00 51.84
HETATM 2292
1.00 47.16
HETATM 2293
1.00 47.66
HETATM 2294
1.00 47.65
HETATM 2295
1.00 47.59
HETATM 2296
1.00 41.05
HETATM 2297
1.00 45.45
HETATM 2298
C10 LFA A 302
1.00 37.65
HETATM 2299
C11 LFA A 302
1.00 45.64
HETATM 2300
C12 LFA A 302
1.00 60.86
HETATM 2301
C13 LFA A 302
1.00 68.91
HETATM 2302
C14 LFA A 302
1.00 76.48
HETATM 2303
C15 LFA A 302
1.00 68.24
HETATM 2304
C16 LFA A 302
1.00 65.58
HETATM 2305
0.50 37.13
HETATM 2306
0.50 33.83
HETATM 2307
0.50 31.16
HETATM 2308
0.50 28.25
HETATM 2309
0.50 29.24
HETATM 2310
0.50 32.51
HETATM 2311
0.50 33.95
HETATM 2312
0.50 35.13
HETATM 2313
1.00 59.71
HETATM 2314
1.00 59.77
HETATM 2315
1.00 62.55
HETATM 2316
1.00 60.38
HETATM 2317
1.00 64.75
HETATM 2318
1.00 66.72
HETATM 2319
1.00 72.33
HETATM 2320
1.00 73.38
HETATM 2321
C10 LFA A 304
1.00 59.47
HETATM 2322
1.00 63.64
HETATM 2323
1.00 54.54
HETATM 2324
1.00 46.61
HETATM 2325
1.00 50.96
HETATM 2326
1.00 50.82
HETATM 2327
1.00 50.31
HETATM 2328
1.00 64.44
HETATM 2329
1.00 62.31
HETATM 2330
1.00 57.74
HETATM 2331
1.00 65.84
HETATM 2332
1.00 71.65
HETATM 2333
1.00 39.40
HETATM 2334
1.00 40.96
HETATM 2335
1.00 46.42
HETATM 2336
1.00 44.34
HETATM 2337
1.00 48.38
HETATM 2338
1.00 60.09
HETATM 2339
1.00 66.99
HETATM 2340
1.00 67.94
HETATM 2341
1.00 59.12
HETATM 2342
C10 LFA A 307
1.00 60.52
HETATM 2343
C11 LFA A 307
1.00 55.97
HETATM 2344
C12 LFA A 307
1.00 62.50
HETATM 2345
C13 LFA A 307
1.00 61.29
HETATM 2346
1.00 74.30
HETATM 2347
1.00 77.56
HETATM 2348
1.00 70.06
HETATM 2349
1.00 63.36
HETATM 2350
1.00 61.96
HETATM 2351
1.00 60.18
HETATM 2352
1.00 63.27
HETATM 2353
1.00 59.03
HETATM 2354
1.00 55.42
HETATM 2355
C10 LFA A 308
1.00 60.98
HETATM 2356
1.00 57.79
HETATM 2357
1.00 52.77
HETATM 2358
1.00 52.01
HETATM 2359
1.00 57.89
HETATM 2360
1.00 64.24
HETATM 2361
1.00 61.49
HETATM 2362
1.00 66.04
HETATM 2363
1.00 64.87
HETATM 2364
1.00 71.22
HETATM 2365
1.00 71.13
HETATM 2366
1.00 68.67
HETATM 2367
1.00 76.73
HETATM 2368
1.00 64.85
HETATM 2369
1.00 62.43
HETATM 2370
1.00 65.52
HETATM 2371
1.00 60.44
HETATM 2372
1.00101.40
HETATM 2373
1.00 91.90
HETATM 2374
1.00 91.27
HETATM 2375
1.00 84.63
HETATM 2376
1.00 76.79
HETATM 2377
1.00 64.54
HETATM 2378
1.00 62.81
HETATM 2379
1.00 65.92
HETATM 2380
1.00 60.02
HETATM 2381
C10 LFA A 311
1.00 56.36
HETATM 2382
C11 LFA A 311
1.00 43.90
HETATM 2383
C12 LFA A 311
1.00 49.62
HETATM 2384
1.00 81.76
HETATM 2385
1.00 85.05
HETATM 2386
1.00 79.70
HETATM 2387
1.00 71.80
HETATM 2388
1.00 63.52
HETATM 2389
1.00 62.59
HETATM 2390
1.00 55.96
HETATM 2391
1.00 51.34
HETATM 2392
1.00 57.19
HETATM 2393
C10 LFA A 312
1.00 61.68
HETATM 2394
C11 LFA A 312
1.00 67.57
HETATM 2395
C12 LFA A 312
1.00 61.74
HETATM 2396
C13 LFA A 312
1.00 66.52
HETATM 2397
C14 LFA A 312
1.00 69.01
HETATM 2398
C15 LFA A 312
1.00 64.97
HETATM 2399
C16 LFA A 312
1.00 72.15
HETATM 2400
1.00 36.73
HETATM 2401
1.00 41.30
HETATM 2402
1.00 47.67
HETATM 2403
1.00 53.85
HETATM 2404
1.00 53.08
HETATM 2405
1.00 60.42
HETATM 2406
1.00 69.60
HETATM 2407
1.00 72.02
HETATM 2408
1.00 73.27
HETATM 2409
1.00 75.71
HETATM 2410
1.00 79.34
HETATM 2411
1.00 79.34
HETATM 2412
1.00 79.51
HETATM 2413
1.00 73.34
HETATM 2414
C10 LFA A 314
1.00 64.77
HETATM 2415
1.00 53.06
HETATM 2416
1.00 53.21
HETATM 2417
1.00 49.48
HETATM 2418
1.00 54.30
HETATM 2419
1.00 56.01
HETATM 2420
1.00 51.63
HETATM 2421
1.00 54.75
HETATM 2422
1.00 62.17
HETATM 2423
1.00 63.53
HETATM 2424
1.00 58.26
HETATM 2425
1.00 61.59
HETATM 2426
1.00 70.43
HETATM 2427
1.00 67.98
HETATM 2428
1.00 69.49
HETATM 2429
1.00 75.16
HETATM 2430
1.00 79.78
HETATM 2431
1.00 87.66
HETATM 2432
1.00 92.54
HETATM 2433
C10 LFA A 317
1.00 87.75
HETATM 2434
C11 LFA A 317
1.00 85.19
HETATM 2435
C12 LFA A 317
1.00 74.27
HETATM 2436
1.00 58.04
HETATM 2437
1.00 62.29
HETATM 2438
1.00 66.73
HETATM 2439
1.00 72.68
HETATM 2440
1.00 72.29
HETATM 2441
1.00 67.47
HETATM 2442
1.00 65.06
HETATM 2443
1.00 72.13
HETATM 2444
1.00 74.04
HETATM 2445
C10 LFA A 318
1.00 72.30
HETATM 2446
C11 LFA A 318
1.00 66.60
HETATM 2447
C12 LFA A 318
1.00 58.19
HETATM 2448
1.00 37.60
HETATM 2449
1.00 57.12
HETATM 2450
1.00 61.35
HETATM 2451
1.00 76.43
HETATM 2452
1.00 71.20
HETATM 2453
1.00 72.64
HETATM 2454
1.00 85.09
HETATM 2455
1.00 83.53
HETATM 2456
1.00 81.09
HETATM 2457
C10 LFA A 319
1.00 69.19
HETATM 2458
1.00 69.68
HETATM 2459
1.00 61.60
HETATM 2460
1.00 58.41
HETATM 2461
1.00 62.45
HETATM 2462
1.00 60.12
HETATM 2463
1.00 52.53
HETATM 2464
1.00 85.47
HETATM 2465
1.00 81.56
HETATM 2466
1.00 78.38
HETATM 2467
1.00 74.05
HETATM 2468
1.00 66.69
HETATM 2469
1.00 76.01
HETATM 2470
1.00 70.98
HETATM 2471
1.00 67.76
HETATM 2472
1.00 60.41
HETATM 2473
1.00 63.77
HETATM 2474
1.00 63.26
HETATM 2475
1.00 69.32
HETATM 2476
1.00 78.25
HETATM 2477
1.00 76.79
HETATM 2478
1.00 76.32
HETATM 2479
1.00 68.78
HETATM 2480
1.00 73.83
HETATM 2481
1.00 69.21
HETATM 2482
1.00 73.36
HETATM 2483
1.00 68.05
HETATM 2484
1.00 66.43
HETATM 2485
1.00 66.95
HETATM 2486
1.00 68.51
HETATM 2487
1.00 66.49
HETATM 2488
1.00 67.24
HETATM 2489
1.00 70.38
HETATM 2490
1.00 40.61
HETATM 2491
1.00 67.06
HETATM 2492
1.00 63.07
HETATM 2493
1.00 65.93
HETATM 2494
1.00 61.63
HETATM 2495
1.00 63.93
HETATM 2496
1.00 60.56
HETATM 2497
1.00 62.25
HETATM 2498
1.00 72.94
HETATM 2499
1.00 73.05
HETATM 2500
C10 LFA A 326
1.00 71.87
HETATM 2501
1.00 68.46
HETATM 2502
1.00 67.97
HETATM 2503
1.00 76.21
HETATM 2504
1.00 79.86
HETATM 2505
1.00 76.49
HETATM 2506
1.00 66.78
HETATM 2507
1.00 73.39
HETATM 2508
1.00 35.79
HETATM 2509
1.00 55.47
HETATM 2510
1.00 52.37
HETATM 2511
1.00 73.89
HETATM 2512
1.00 74.35
HETATM 2513
1.00 74.10
HETATM 2514
1.00 70.63
HETATM 2515
1.00 69.07
HETATM 2516
1.00 64.76
HETATM 2517
1.00 58.75
HETATM 2518
1.00 69.85
HETATM 2519
1.00 69.70
HETATM 2520
1.00 66.83
HETATM 2521
1.00 65.55
HETATM 2522
1.00 71.52
HETATM 2523
1.00 75.11
HETATM 2524
1.00 68.09
HETATM 2525
C10 LFA A 330
1.00 51.16
HETATM 2526
C11 LFA A 330
1.00 58.13
HETATM 2527
1.00 75.99
HETATM 2528
1.00 68.19
HETATM 2529
1.00 62.86
HETATM 2530
1.00 73.14
HETATM 2531
1.00 77.09
HETATM 2532
1.00 76.49
HETATM 2533
1.00 76.59
HETATM 2534
1.00 75.54
HETATM 2535
1.00 60.96
HETATM 2536
1.00 60.49
HETATM 2537
1.00 65.39
HETATM 2538
1.00 66.30
HETATM 2539
1.00 71.00
HETATM 2540
1.00 72.64
HETATM 2541
1.00 67.37
HETATM 2542
1.00 71.35
HETATM 2543
1.00 72.00
HETATM 2544
1.00 64.08
HETATM 2545
C10 LFA A 333
1.00 61.68
HETATM 2546
1.00 57.94
HETATM 2547
1.00 46.59
HETATM 2548
1.00 58.40
HETATM 2549
1.00 60.38
HETATM 2550
1.00 63.13
HETATM 2551
1.00 60.40
HETATM 2552
1.00 67.39
HETATM 2553
1.00 70.92
HETATM 2554
1.00 64.37
HETATM 2555
C10 LFA A 334
1.00 56.18
HETATM 2556
C11 LFA A 334
1.00 57.50
HETATM 2557
C12 LFA A 334
1.00 66.62
HETATM 2558
1.00 67.10
HETATM 2559
1.00 67.87
HETATM 2560
1.00 73.86
HETATM 2561
1.00 72.27
HETATM 2562
1.00 81.90
HETATM 2563
1.00 82.77
HETATM 2564
1.00 83.32
HETATM 2565
1.00 78.42
HETATM 2566
1.00 79.05
HETATM 2567
C10 LFA A 335
1.00 68.23
HETATM 2568
1.00 48.67
HETATM 2569
1.00 70.02
HETATM 2570
1.00 71.34
HETATM 2571
1.00 71.68
HETATM 2572
1.00 66.26
HETATM 2573
1.00 77.19
HETATM 2574
1.00 84.28
HETATM 2575
1.00 92.00
HETATM 2576
1.00 76.84
HETATM 2577
1.00 70.46
HETATM 2578
1.00 75.53
HETATM 2579
1.00 81.28
HETATM 2580
1.00 58.23
HETATM 2581
1.00 53.04
HETATM 2582
1.00 39.46
HETATM 2583
0.50 43.96
HETATM 2584
1.00 37.27
HETATM 2585
1.00 58.24
HETATM 2586
1.00 29.24
HETATM 2587
1.00 33.69
HETATM 2588
1.00 45.64
HETATM 2589
1.00 51.57
HETATM 2590
1.00 56.63
HETATM 2591
1.00 57.47
HETATM 2592
1.00 46.05
HETATM 2593
1.00 42.48
HETATM 2594
1.00 45.52
HETATM 2595
1.00 40.62
HETATM 2596
1.00 66.43
HETATM 2597
1.00 30.63
HETATM 2598
1.00 29.00
HETATM 2599
1.00 42.68
HETATM 2600
1.00 38.65
HETATM 2601
1.00 24.59
HETATM 2602
1.00 45.16
HETATM 2603
1.00 45.44
HETATM 2604
1.00 29.46
HETATM 2605
1.00 71.87
HETATM 2606
1.00 65.25
HETATM 2607
0.50 42.20
HETATM 2608
0.50 61.60
HETATM 2609
1.00 60.73
HETATM 2610
1.00 50.41
HETATM 2611
1.00 58.47
HETATM 2612
1.00 37.74
HETATM 2613
1.00 43.71
HETATM 2614
1.00 22.69
HETATM 2615
1.00 20.29
HETATM 2616
1.00 25.17
HETATM 2617
1.00 25.74
HETATM 2618
1.00 31.54
HETATM 2619
1.00 30.98
HETATM 2620
1.00 39.96
HETATM 2621
1.00 45.60
HETATM 2622
1.00 40.86
HETATM 2623
1.00 21.64
HETATM 2624
1.00 23.32
HETATM 2625
1.00 31.64
HETATM 2626
1.00 32.15
HETATM 2627
1.00 29.23
HETATM 2628
1.00 42.50
HETATM 2629
1.00 41.94
HETATM 2630
1.00 33.05
HETATM 2631
1.00 40.72
HETATM 2632
1.00 38.77
HETATM 2633
1.00 31.10
HETATM 2634
1.00 44.45
HETATM 2635
1.00 40.02
HETATM 2636
1.00 30.24
HETATM 2637
1.00 41.35
HETATM 2638
1.00 43.33
HETATM 2639
1.00 44.79
HETATM 2640
1.00 43.57
HETATM 2641
1.00 47.65
HETATM 2642
1.00 36.03
HETATM 2643
1.00 46.98
HETATM 2644
1.00 42.73
HETATM 2645
1.00 42.88
HETATM 2646
1.00 40.10
HETATM 2647
1.00 32.04
HETATM 2648
1.00 46.98
HETATM 2649
1.00 42.20
HETATM 2650
1.00 34.68
HETATM 2651
1.00 43.91
HETATM 2652
1.00 45.27
HETATM 2653
1.00 55.35
HETATM 2654
1.00 38.66
HETATM 2655
1.00 45.48
HETATM 2656
1.00 39.52
HETATM 2657
1.00 46.33
HETATM 2658
1.00 44.01
HETATM 2659
1.00 42.46
HETATM 2660
1.00 47.33
HETATM 2661
1.00 56.71
HETATM 2662
1.00 56.02
HETATM 2663
1.00 52.96
HETATM 2664
1.00 50.54
HETATM 2665
1.00 47.37
HETATM 2666
1.00 63.79
HETATM 2667
1.00 51.54
HETATM 2668
1.00 55.41
HETATM 2669
1.00 41.39
HETATM 2670
1.00 50.05
HETATM 2671
1.00 57.27
HETATM 2672
1.00 60.41
HETATM 2673
1.00 51.84
HETATM 2674
1.00 39.97
HETATM 2675
1.00 45.24
HETATM 2676
1.00 55.17
HETATM 2677
1.00 46.45
HETATM 2678
1.00 61.56
HETATM 2679
1.00 48.93
HETATM 2680
1.00 66.28
HETATM 2681
1.00 49.64
HETATM 2682
1.00 77.43
HETATM 2683
1.00 56.91
HETATM 2684
1.00 49.30
HETATM 2685
1.00 63.58
HETATM 2686
1.00 66.40
HETATM 2687
1.00 49.81
HETATM 2688
0.50 38.25
HETATM 2689
1.00 54.88
HETATM 2690
1.00 49.49
HETATM 2691
1.00 71.57
HETATM 2692
1.00 54.86
HETATM 2693
1.00 54.21
HETATM 2694
1.00 50.85
HETATM 2695
1.00 39.02
HETATM 2696
1.00 54.22
HETATM 2697
1.00 64.16
HETATM 2698
0.50 35.50
HETATM 2699
1.00 50.68
HETATM 2700
1.00 74.35
HETATM 2701
1.00 51.42
HETATM 2702
1.00 60.10
HETATM 2703
1.00 60.08
HETATM 2704
1.00 73.17
HETATM 2705
1.00 68.68
HETATM 2706
1.00 50.00
HETATM 2707
1.00 50.04
HETATM 2708
1.00 55.88
HETATM 2709
1.00 48.59
HETATM 2710
1.00 61.19
HETATM 2711
1.00 63.36
HETATM 2712
1.00 53.56
HETATM 2713
1.00 62.32
HETATM 2714
1.00 62.26
HETATM 2715
1.00 39.53
HETATM 2716
1.00 41.75
HETATM 2717
1.00 58.89
HETATM 2718
1.00 60.71
HETATM 2719
1.00 55.21
HETATM 2720
1.00 66.77
HETATM 2721
1.00 54.32
HETATM 2722
1.00 64.90
HETATM 2723
1.00 82.40
CONECT 30 2132
CONECT 31 2157
CONECT 40 2141
CONECT 45 2146
CONECT 49 2154
CONECT 50 2151
CONECT 71 2572
CONECT 77 2578