From 489580c3b488b2989892ce0df98762eb9654bfbd Mon Sep 17 00:00:00 2001 From: gmungoc Date: Fri, 11 Nov 2016 13:42:52 +0000 Subject: [PATCH] JAL-2295 tests now 'network-free' with local PDB and SIFTS files --- test/jalview/ext/rbvi/chimera/4zho.pdb | 3526 ++++++++++++++++++++ test/jalview/ext/rbvi/chimera/4zho.xml.gz | Bin 0 -> 11043 bytes .../ext/rbvi/chimera/JalviewChimeraView.java | 78 +- 3 files changed, 3580 insertions(+), 24 deletions(-) create mode 100644 test/jalview/ext/rbvi/chimera/4zho.pdb create mode 100644 test/jalview/ext/rbvi/chimera/4zho.xml.gz diff --git a/test/jalview/ext/rbvi/chimera/4zho.pdb b/test/jalview/ext/rbvi/chimera/4zho.pdb new file mode 100644 index 0000000..e4ee6df --- /dev/null +++ b/test/jalview/ext/rbvi/chimera/4zho.pdb @@ -0,0 +1,3526 @@ +HEADER ELECTRON TRANSPORT 26-APR-15 4ZHO +TITLE THE CRYSTAL STRUCTURE OF ARABIDOPSIS FERREDOXIN 2 WITH 2FE-2S CLUSTER +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: FERREDOXIN-2, CHLOROPLASTIC; +COMPND 3 CHAIN: A, B; +COMPND 4 SYNONYM: ATFD2; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; +SOURCE 3 ORGANISM_COMMON: MOUSE-EAR CRESS; +SOURCE 4 ORGANISM_TAXID: 3702; +SOURCE 5 GENE: FD2, PETF, PETF1, AT1G60950, T7P1.9; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008 +KEYWDS FERREDOXIN 2FE-2S CLUSTER ELECTRON TRANSFER CHLOROPLAST, ELECTRON +KEYWDS 2 TRANSPORT +EXPDTA X-RAY DIFFRACTION +AUTHOR R.GRINTER,I.JOSTS,A.W.ROSZAK,R.J.COGDELL,D.WALKER +REVDAT 2 09-NOV-16 4ZHO 1 JRNL +REVDAT 1 31-AUG-16 4ZHO 0 +JRNL AUTH R.GRINTER,I.JOSTS,K.MOSBAHI,A.W.ROSZAK,R.J.COGDELL, +JRNL AUTH 2 A.M.BONVIN,J.J.MILNER,S.M.KELLY,O.BYRON,B.O.SMITH,D.WALKER +JRNL TITL STRUCTURE OF THE BACTERIAL PLANT-FERREDOXIN RECEPTOR FUSA. +JRNL REF NAT COMMUN V. 7 13308 2016 +JRNL REFN ESSN 2041-1723 +JRNL PMID 27796364 +JRNL DOI 10.1038/NCOMMS13308 +REMARK 2 +REMARK 2 RESOLUTION. 2.34 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.8.0049 +REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.34 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 60.73 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5 +REMARK 3 NUMBER OF REFLECTIONS : 12221 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.198 +REMARK 3 R VALUE (WORKING SET) : 0.197 +REMARK 3 FREE R VALUE : 0.216 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 +REMARK 3 FREE R VALUE TEST SET COUNT : 627 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.34 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.40 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 864 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.58 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2390 +REMARK 3 BIN FREE R VALUE SET COUNT : 39 +REMARK 3 BIN FREE R VALUE : 0.3090 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1440 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 10 +REMARK 3 SOLVENT ATOMS : 38 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 59.55 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 2.75000 +REMARK 3 B22 (A**2) : 2.75000 +REMARK 3 B33 (A**2) : -5.50000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.229 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.180 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.136 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 12.808 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.949 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.952 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1468 ; 0.017 ; 0.019 +REMARK 3 BOND LENGTHS OTHERS (A): 1296 ; 0.001 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1990 ; 1.933 ; 1.975 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 3026 ; 0.912 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 192 ; 7.288 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 66 ;34.298 ;26.970 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 234 ;14.918 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 2 ; 5.922 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 230 ; 0.115 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1682 ; 0.007 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 276 ; 0.001 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 774 ; 3.602 ; 4.642 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 773 ; 3.584 ; 4.636 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 964 ; 4.741 ; 6.949 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 965 ; 4.738 ; 6.957 +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 694 ; 5.685 ; 5.263 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 691 ; 5.624 ; 5.277 +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1021 ; 8.298 ; 7.648 +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1582 ; 9.824 ;37.488 +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1580 ; 9.825 ;37.492 +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 2 +REMARK 3 +REMARK 3 TLS GROUP : 1 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : A 2 A 118 +REMARK 3 ORIGIN FOR THE GROUP (A): -11.9068 -7.9134 -35.1151 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0724 T22: 0.0486 +REMARK 3 T33: 0.0466 T12: -0.0255 +REMARK 3 T13: 0.0362 T23: -0.0257 +REMARK 3 L TENSOR +REMARK 3 L11: 3.9618 L22: 2.5662 +REMARK 3 L33: 3.5301 L12: -0.2237 +REMARK 3 L13: -2.4244 L23: -0.7777 +REMARK 3 S TENSOR +REMARK 3 S11: -0.1452 S12: 0.2312 S13: 0.0678 +REMARK 3 S21: 0.1082 S22: 0.0201 S23: 0.1702 +REMARK 3 S31: 0.1983 S32: -0.3971 S33: 0.1251 +REMARK 3 +REMARK 3 TLS GROUP : 2 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : B 2 B 122 +REMARK 3 ORIGIN FOR THE GROUP (A): -27.4515 -16.6414 -12.3927 +REMARK 3 T TENSOR +REMARK 3 T11: 0.0153 T22: 0.0305 +REMARK 3 T33: 0.0110 T12: 0.0014 +REMARK 3 T13: 0.0124 T23: -0.0038 +REMARK 3 L TENSOR +REMARK 3 L11: 2.2921 L22: 2.7795 +REMARK 3 L33: 6.4597 L12: 0.0122 +REMARK 3 L13: 0.2226 L23: -0.5396 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0678 S12: -0.2191 S13: 0.0982 +REMARK 3 S21: 0.1361 S22: 0.0490 S23: 0.0984 +REMARK 3 S31: -0.1717 S32: -0.0459 S33: -0.1168 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING +REMARK 3 POSITIONS +REMARK 4 +REMARK 4 4ZHO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-APR-15. +REMARK 100 THE DEPOSITION ID IS D_1000209256. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 21-JUL-14 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 8.5 +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : DIAMOND +REMARK 200 BEAMLINE : I02 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.74 +REMARK 200 MONOCHROMATOR : SILICON CRYSTAL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : PIXEL +REMARK 200 DETECTOR MANUFACTURER : PSI PILATUS 6M +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS +REMARK 200 DATA SCALING SOFTWARE : AIMLESS +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12894 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.340 +REMARK 200 RESOLUTION RANGE LOW (A) : 60.730 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.4 +REMARK 200 DATA REDUNDANCY : 12.30 +REMARK 200 R MERGE (I) : 0.06600 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 23.2000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.34 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.40 +REMARK 200 COMPLETENESS FOR SHELL (%) : 98.4 +REMARK 200 DATA REDUNDANCY IN SHELL : 11.80 +REMARK 200 R MERGE FOR SHELL (I) : 0.59800 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : 4.200 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: PHASER +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: THIN PLATES, DEEP RED BROWN COLOUR DUE TO 2FE-2S IRON +REMARK 200 SULPHUR CLUSTER +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 64.33 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.45 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M MGCL2, 0.1 M TRIS, 20 % PEG +REMARK 280 8000, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z +REMARK 290 3555 -Y+1/2,X+1/2,Z+1/2 +REMARK 290 4555 Y+1/2,-X+1/2,Z+1/2 +REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/2 +REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/2 +REMARK 290 7555 Y,X,-Z +REMARK 290 8555 -Y,-X,-Z +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 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 30.36500 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 30.36500 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 77.36500 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 30.36500 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 30.36500 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 77.36500 +REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 30.36500 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 30.36500 +REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 77.36500 +REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 30.36500 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 30.36500 +REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 77.36500 +REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +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 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +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 HOH B 319 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 MET A 1 +REMARK 465 GLU A 99 +REMARK 465 HIS A 100 +REMARK 465 HIS A 101 +REMARK 465 HIS A 102 +REMARK 465 HIS A 103 +REMARK 465 HIS A 104 +REMARK 465 HIS A 105 +REMARK 465 MET B 1 +REMARK 465 GLU B 99 +REMARK 465 HIS B 100 +REMARK 465 HIS B 101 +REMARK 465 HIS B 102 +REMARK 465 HIS B 103 +REMARK 465 HIS B 104 +REMARK 465 HIS B 105 +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 ATOMS +REMARK 470 LEU A 98 CG CD1 CD2 +REMARK 470 LEU B 98 CG CD1 CD2 +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 PSI PHI +REMARK 500 SER A 39 -64.23 -146.55 +REMARK 500 MET A 97 -67.17 -99.01 +REMARK 500 SER B 39 -78.49 -140.11 +REMARK 500 SER B 63 -12.80 -148.10 +REMARK 500 +REMARK 500 REMARK: NULL +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 FES A 201 FE1 +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS A 40 SG +REMARK 620 2 FES A 201 S1 124.8 +REMARK 620 3 FES A 201 S2 100.1 99.4 +REMARK 620 4 CYS A 45 SG 105.3 110.0 117.8 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 FES A 201 FE2 +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS A 48 SG +REMARK 620 2 FES A 201 S1 114.4 +REMARK 620 3 FES A 201 S2 108.9 101.7 +REMARK 620 4 CYS A 78 SG 105.9 122.0 102.7 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 FES B 201 FE1 +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS B 40 SG +REMARK 620 2 FES B 201 S1 119.9 +REMARK 620 3 FES B 201 S2 102.0 97.8 +REMARK 620 4 CYS B 45 SG 109.5 108.1 119.7 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 FES B 201 FE2 +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 CYS B 48 SG +REMARK 620 2 FES B 201 S1 111.1 +REMARK 620 3 FES B 201 S2 115.5 99.1 +REMARK 620 4 CYS B 78 SG 110.9 117.2 102.5 +REMARK 620 N 1 2 3 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue FES A 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 202 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue FES B 201 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: binding site for residue CL B 202 +DBREF 4ZHO A 1 94 UNP P16972 FER2_ARATH 52 145 +DBREF 4ZHO B 1 94 UNP P16972 FER2_ARATH 52 145 +SEQADV 4ZHO ALA A 95 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO ILE A 96 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO MET A 97 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO LEU A 98 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO GLU A 99 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS A 100 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS A 101 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS A 102 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS A 103 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS A 104 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS A 105 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO ALA B 95 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO ILE B 96 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO MET B 97 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO LEU B 98 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO GLU B 99 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS B 100 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS B 101 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS B 102 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS B 103 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS B 104 UNP P16972 EXPRESSION TAG +SEQADV 4ZHO HIS B 105 UNP P16972 EXPRESSION TAG +SEQRES 1 A 105 MET ALA THR TYR LYS VAL LYS PHE ILE THR PRO GLU GLY +SEQRES 2 A 105 GLU LEU GLU VAL GLU CYS ASP ASP ASP VAL TYR VAL LEU +SEQRES 3 A 105 ASP ALA ALA GLU GLU ALA GLY ILE ASP LEU PRO TYR SER +SEQRES 4 A 105 CYS ARG ALA GLY SER CYS SER SER CYS ALA GLY LYS VAL +SEQRES 5 A 105 VAL SER GLY SER VAL ASP GLN SER ASP GLN SER PHE LEU +SEQRES 6 A 105 ASP ASP GLU GLN ILE GLY GLU GLY PHE VAL LEU THR CYS +SEQRES 7 A 105 ALA ALA TYR PRO THR SER ASP VAL THR ILE GLU THR HIS +SEQRES 8 A 105 LYS GLU GLU ALA ILE MET LEU GLU HIS HIS HIS HIS HIS +SEQRES 9 A 105 HIS +SEQRES 1 B 105 MET ALA THR TYR LYS VAL LYS PHE ILE THR PRO GLU GLY +SEQRES 2 B 105 GLU LEU GLU VAL GLU CYS ASP ASP ASP VAL TYR VAL LEU +SEQRES 3 B 105 ASP ALA ALA GLU GLU ALA GLY ILE ASP LEU PRO TYR SER +SEQRES 4 B 105 CYS ARG ALA GLY SER CYS SER SER CYS ALA GLY LYS VAL +SEQRES 5 B 105 VAL SER GLY SER VAL ASP GLN SER ASP GLN SER PHE LEU +SEQRES 6 B 105 ASP ASP GLU GLN ILE GLY GLU GLY PHE VAL LEU THR CYS +SEQRES 7 B 105 ALA ALA TYR PRO THR SER ASP VAL THR ILE GLU THR HIS +SEQRES 8 B 105 LYS GLU GLU ALA ILE MET LEU GLU HIS HIS HIS HIS HIS +SEQRES 9 B 105 HIS +HET FES A 201 4 +HET CL A 202 1 +HET FES B 201 4 +HET CL B 202 1 +HETNAM FES FE2/S2 (INORGANIC) CLUSTER +HETNAM CL CHLORIDE ION +FORMUL 3 FES 2(FE2 S2) +FORMUL 4 CL 2(CL 1-) +FORMUL 7 HOH *38(H2 O) +HELIX 1 AA1 TYR A 24 ALA A 32 1 9 +HELIX 2 AA2 ASP A 66 GLU A 72 1 7 +HELIX 3 AA3 CYS A 78 ALA A 80 5 3 +HELIX 4 AA5 TYR B 24 ALA B 32 1 9 +HELIX 5 AA6 ASP B 66 GLU B 72 1 7 +HELIX 6 AA7 CYS B 78 ALA B 80 5 3 +HELIX 7 AA8 LYS B 92 MET B 97 5 6 +SHEET 1 AA1 5 GLU A 14 ASP A 20 0 +SHEET 2 AA1 5 THR A 3 ILE A 9 -1 N PHE A 8 O LEU A 15 +SHEET 3 AA1 5 VAL A 86 GLU A 89 1 O ILE A 88 N LYS A 7 +SHEET 4 AA1 5 ALA A 49 SER A 54 -1 N SER A 54 O THR A 87 +SHEET 5 AA1 5 PHE A 74 LEU A 76 -1 O VAL A 75 N GLY A 50 +SHEET 1 AA2 2 VAL A 57 ASP A 58 0 +SHEET 2 AA2 2 TYR A 81 PRO A 82 -1 O TYR A 81 N ASP A 58 +SHEET 1 AA3 5 GLY B 13 ASP B 20 0 +SHEET 2 AA3 5 THR B 3 THR B 10 -1 N PHE B 8 O LEU B 15 +SHEET 3 AA3 5 VAL B 86 GLU B 89 1 O ILE B 88 N LYS B 7 +SHEET 4 AA3 5 ALA B 49 SER B 54 -1 N LYS B 51 O GLU B 89 +SHEET 5 AA3 5 PHE B 74 LEU B 76 -1 O VAL B 75 N GLY B 50 +SHEET 1 AA4 2 VAL B 57 ASP B 58 0 +SHEET 2 AA4 2 TYR B 81 PRO B 82 -1 O TYR B 81 N ASP B 58 +LINK SG CYS A 40 FE1 FES A 201 1555 1555 2.33 +LINK SG CYS A 45 FE1 FES A 201 1555 1555 2.28 +LINK SG CYS A 48 FE2 FES A 201 1555 1555 2.28 +LINK SG CYS A 78 FE2 FES A 201 1555 1555 2.34 +LINK SG CYS B 40 FE1 FES B 201 1555 1555 2.22 +LINK SG CYS B 45 FE1 FES B 201 1555 1555 2.25 +LINK SG CYS B 48 FE2 FES B 201 1555 1555 2.18 +LINK SG CYS B 78 FE2 FES B 201 1555 1555 2.36 +SITE 1 AC1 8 SER A 39 CYS A 40 ARG A 41 GLY A 43 +SITE 2 AC1 8 SER A 44 CYS A 45 CYS A 48 CYS A 78 +SITE 1 AC2 2 SER A 84 ASP A 85 +SITE 1 AC3 8 SER B 39 CYS B 40 ARG B 41 GLY B 43 +SITE 2 AC3 8 SER B 44 CYS B 45 CYS B 48 CYS B 78 +SITE 1 AC4 2 SER B 84 ASP B 85 +CRYST1 60.730 60.730 154.730 90.00 90.00 90.00 P 42 21 2 16 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.016466 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.016466 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.006463 0.00000 +ATOM 1 N ALA A 2 -1.257 -15.807 -48.124 1.00 50.77 N +ANISOU 1 N ALA A 2 7787 5804 5698 -219 1819 -481 N +ATOM 2 CA ALA A 2 -1.523 -14.339 -48.197 1.00 50.70 C +ANISOU 2 CA ALA A 2 7568 6034 5660 -183 1548 -344 C +ATOM 3 C ALA A 2 -1.438 -13.722 -46.830 1.00 45.70 C +ANISOU 3 C ALA A 2 6785 5347 5230 -97 1396 -189 C +ATOM 4 O ALA A 2 -1.809 -14.345 -45.825 1.00 44.98 O +ANISOU 4 O ALA A 2 6732 5134 5221 -136 1414 -240 O +ATOM 5 CB ALA A 2 -2.903 -14.040 -48.848 1.00 48.96 C +ANISOU 5 CB ALA A 2 7316 6077 5207 -370 1390 -508 C +ATOM 6 N THR A 3 -1.069 -12.455 -46.833 1.00 45.54 N +ANISOU 6 N THR A 3 6600 5431 5271 -1 1249 -16 N +ATOM 7 CA THR A 3 -0.949 -11.641 -45.631 1.00 47.35 C +ANISOU 7 CA THR A 3 6681 5636 5674 60 1092 109 C +ATOM 8 C THR A 3 -1.689 -10.384 -45.941 1.00 43.11 C +ANISOU 8 C THR A 3 6022 5274 5083 31 915 145 C +ATOM 9 O THR A 3 -1.531 -9.803 -47.012 1.00 41.92 O +ANISOU 9 O THR A 3 5843 5236 4848 63 924 210 O +ATOM 10 CB THR A 3 0.543 -11.321 -45.328 1.00 50.05 C +ANISOU 10 CB THR A 3 6935 5888 6195 216 1141 301 C +ATOM 11 OG1 THR A 3 1.229 -12.551 -45.036 1.00 50.95 O +ANISOU 11 OG1 THR A 3 7151 5846 6362 283 1328 306 O +ATOM 12 CG2 THR A 3 0.673 -10.438 -44.115 1.00 54.46 C +ANISOU 12 CG2 THR A 3 7341 6448 6902 242 968 390 C +ATOM 13 N TYR A 4 -2.484 -9.944 -44.989 1.00 46.99 N +ANISOU 13 N TYR A 4 6443 5784 5625 -9 776 123 N +ATOM 14 CA TYR A 4 -3.347 -8.768 -45.177 1.00 48.43 C +ANISOU 14 CA TYR A 4 6510 6116 5775 -19 632 167 C +ATOM 15 C TYR A 4 -3.023 -7.694 -44.144 1.00 47.22 C +ANISOU 15 C TYR A 4 6246 5881 5813 46 540 272 C +ATOM 16 O TYR A 4 -2.521 -7.988 -43.069 1.00 48.33 O +ANISOU 16 O TYR A 4 6396 5904 6063 58 537 263 O +ATOM 17 CB TYR A 4 -4.801 -9.196 -45.059 1.00 47.01 C +ANISOU 17 CB TYR A 4 6341 6049 5468 -146 570 20 C +ATOM 18 CG TYR A 4 -5.208 -10.134 -46.157 1.00 43.84 C +ANISOU 18 CG TYR A 4 6035 5763 4857 -258 645 -122 C +ATOM 19 CD1 TYR A 4 -5.280 -9.700 -47.461 1.00 48.21 C +ANISOU 19 CD1 TYR A 4 6559 6515 5243 -243 630 -80 C +ATOM 20 CD2 TYR A 4 -5.473 -11.470 -45.898 1.00 48.38 C +ANISOU 20 CD2 TYR A 4 6743 6241 5397 -383 752 -303 C +ATOM 21 CE1 TYR A 4 -5.629 -10.561 -48.480 1.00 48.93 C +ANISOU 21 CE1 TYR A 4 6746 6739 5104 -368 694 -244 C +ATOM 22 CE2 TYR A 4 -5.802 -12.362 -46.923 1.00 48.52 C +ANISOU 22 CE2 TYR A 4 6868 6342 5221 -522 844 -480 C +ATOM 23 CZ TYR A 4 -5.914 -11.892 -48.199 1.00 48.26 C +ANISOU 23 CZ TYR A 4 6798 6543 4992 -526 799 -466 C +ATOM 24 OH TYR A 4 -6.226 -12.778 -49.220 1.00 52.35 O +ANISOU 24 OH TYR A 4 7434 7172 5284 -686 885 -675 O +ATOM 25 N LYS A 5 -3.307 -6.453 -44.489 1.00 47.90 N +ANISOU 25 N LYS A 5 6234 6036 5930 90 478 373 N +ATOM 26 CA LYS A 5 -3.126 -5.320 -43.582 1.00 49.46 C +ANISOU 26 CA LYS A 5 6343 6138 6309 126 414 439 C +ATOM 27 C LYS A 5 -4.415 -5.114 -42.819 1.00 44.72 C +ANISOU 27 C LYS A 5 5725 5576 5688 87 334 362 C +ATOM 28 O LYS A 5 -5.464 -4.904 -43.423 1.00 45.76 O +ANISOU 28 O LYS A 5 5820 5852 5714 87 308 374 O +ATOM 29 CB LYS A 5 -2.776 -4.038 -44.357 1.00 51.93 C +ANISOU 29 CB LYS A 5 6573 6454 6702 205 443 602 C +ATOM 30 CG LYS A 5 -1.497 -4.126 -45.113 1.00 62.94 C +ANISOU 30 CG LYS A 5 7967 7811 8137 249 542 698 C +ATOM 31 CD LYS A 5 -0.351 -4.665 -44.240 1.00 71.74 C +ANISOU 31 CD LYS A 5 9078 8803 9377 228 553 662 C +ATOM 32 CE LYS A 5 -0.083 -3.798 -43.025 1.00 78.38 C +ANISOU 32 CE LYS A 5 9836 9541 10403 192 473 648 C +ATOM 33 NZ LYS A 5 0.491 -2.513 -43.496 1.00 87.36 N +ANISOU 33 NZ LYS A 5 10881 10609 11701 215 524 774 N +ATOM 34 N VAL A 6 -4.356 -5.236 -41.505 1.00 40.33 N +ANISOU 34 N VAL A 6 5186 4922 5213 58 297 290 N +ATOM 35 CA VAL A 6 -5.506 -4.978 -40.686 1.00 43.48 C +ANISOU 35 CA VAL A 6 5572 5340 5608 33 246 224 C +ATOM 36 C VAL A 6 -5.286 -3.624 -40.015 1.00 44.26 C +ANISOU 36 C VAL A 6 5616 5334 5865 73 225 265 C +ATOM 37 O VAL A 6 -4.317 -3.413 -39.286 1.00 45.54 O +ANISOU 37 O VAL A 6 5782 5395 6125 57 211 245 O +ATOM 38 CB VAL A 6 -5.704 -6.072 -39.614 1.00 47.03 C +ANISOU 38 CB VAL A 6 6100 5753 6016 -24 246 110 C +ATOM 39 CG1 VAL A 6 -6.982 -5.808 -38.849 1.00 45.34 C +ANISOU 39 CG1 VAL A 6 5866 5571 5789 -46 216 50 C +ATOM 40 CG2 VAL A 6 -5.764 -7.451 -40.254 1.00 46.02 C +ANISOU 40 CG2 VAL A 6 6052 5664 5769 -78 315 53 C +ATOM 41 N LYS A 7 -6.163 -2.682 -40.330 1.00 45.38 N +ANISOU 41 N LYS A 7 5700 5508 6034 123 235 327 N +ATOM 42 CA LYS A 7 -6.143 -1.373 -39.740 1.00 45.98 C +ANISOU 42 CA LYS A 7 5748 5450 6273 160 263 351 C +ATOM 43 C LYS A 7 -7.143 -1.363 -38.592 1.00 47.81 C +ANISOU 43 C LYS A 7 6003 5668 6491 143 248 245 C +ATOM 44 O LYS A 7 -8.347 -1.536 -38.787 1.00 51.78 O +ANISOU 44 O LYS A 7 6468 6287 6918 173 249 263 O +ATOM 45 CB LYS A 7 -6.506 -0.347 -40.788 1.00 48.29 C +ANISOU 45 CB LYS A 7 5968 5763 6617 264 329 520 C +ATOM 46 CG LYS A 7 -6.637 1.070 -40.268 1.00 58.39 C +ANISOU 46 CG LYS A 7 7234 6859 8090 316 413 556 C +ATOM 47 CD LYS A 7 -6.631 2.026 -41.447 1.00 68.64 C +ANISOU 47 CD LYS A 7 8467 8148 9461 441 515 776 C +ATOM 48 CE LYS A 7 -6.930 3.448 -41.018 1.00 82.52 C +ANISOU 48 CE LYS A 7 10225 9693 11435 515 651 833 C +ATOM 49 NZ LYS A 7 -6.213 4.399 -41.926 1.00 90.34 N +ANISOU 49 NZ LYS A 7 11188 10561 12575 587 785 1022 N +ATOM 50 N PHE A 8 -6.640 -1.148 -37.392 1.00 43.94 N +ANISOU 50 N PHE A 8 5567 5061 6068 93 233 136 N +ATOM 51 CA PHE A 8 -7.513 -1.002 -36.238 1.00 50.30 C +ANISOU 51 CA PHE A 8 6412 5840 6859 87 244 34 C +ATOM 52 C PHE A 8 -7.808 0.440 -35.906 1.00 44.05 C +ANISOU 52 C PHE A 8 5618 4900 6218 131 331 33 C +ATOM 53 O PHE A 8 -6.905 1.228 -35.663 1.00 48.85 O +ANISOU 53 O PHE A 8 6245 5366 6948 88 353 -5 O +ATOM 54 CB PHE A 8 -6.843 -1.646 -35.018 1.00 45.89 C +ANISOU 54 CB PHE A 8 5927 5267 6239 10 184 -93 C +ATOM 55 CG PHE A 8 -6.679 -3.122 -35.144 1.00 46.40 C +ANISOU 55 CG PHE A 8 6019 5437 6174 -10 148 -85 C +ATOM 56 CD1 PHE A 8 -7.769 -3.967 -35.038 1.00 48.26 C +ANISOU 56 CD1 PHE A 8 6277 5749 6311 -14 173 -106 C +ATOM 57 CD2 PHE A 8 -5.438 -3.668 -35.354 1.00 44.91 C +ANISOU 57 CD2 PHE A 8 5828 5253 5981 -27 113 -54 C +ATOM 58 CE1 PHE A 8 -7.601 -5.339 -35.131 1.00 47.89 C +ANISOU 58 CE1 PHE A 8 6276 5748 6170 -46 182 -111 C +ATOM 59 CE2 PHE A 8 -5.279 -5.027 -35.445 1.00 45.32 C +ANISOU 59 CE2 PHE A 8 5923 5360 5935 -28 125 -39 C +ATOM 60 CZ PHE A 8 -6.356 -5.857 -35.342 1.00 47.01 C +ANISOU 60 CZ PHE A 8 6184 5615 6059 -43 168 -74 C +ATOM 61 N ILE A 9 -9.069 0.763 -35.795 1.00 45.19 N +ANISOU 61 N ILE A 9 5739 5067 6363 208 395 63 N +ATOM 62 CA ILE A 9 -9.459 2.100 -35.309 1.00 51.68 C +ANISOU 62 CA ILE A 9 6584 5712 7339 270 525 51 C +ATOM 63 C ILE A 9 -9.826 1.880 -33.879 1.00 50.92 C +ANISOU 63 C ILE A 9 6580 5587 7179 217 529 -126 C +ATOM 64 O ILE A 9 -10.824 1.229 -33.599 1.00 53.51 O +ANISOU 64 O ILE A 9 6889 6036 7407 248 527 -124 O +ATOM 65 CB ILE A 9 -10.635 2.697 -36.124 1.00 55.53 C +ANISOU 65 CB ILE A 9 6967 6250 7879 433 624 240 C +ATOM 66 CG1 ILE A 9 -10.204 2.918 -37.592 1.00 55.29 C +ANISOU 66 CG1 ILE A 9 6852 6282 7873 497 619 438 C +ATOM 67 CG2 ILE A 9 -11.137 4.018 -35.502 1.00 55.96 C +ANISOU 67 CG2 ILE A 9 7065 6086 8109 523 808 232 C +ATOM 68 CD1 ILE A 9 -11.385 2.981 -38.527 1.00 58.25 C +ANISOU 68 CD1 ILE A 9 7085 6859 8188 645 639 641 C +ATOM 69 N THR A 10 -8.967 2.329 -32.980 1.00 50.67 N +ANISOU 69 N THR A 10 6641 5425 7186 121 526 -284 N +ATOM 70 CA THR A 10 -9.185 2.107 -31.561 1.00 51.69 C +ANISOU 70 CA THR A 10 6873 5558 7208 65 520 -464 C +ATOM 71 C THR A 10 -9.612 3.432 -30.915 1.00 50.65 C +ANISOU 71 C THR A 10 6822 5218 7204 89 689 -568 C +ATOM 72 O THR A 10 -9.544 4.466 -31.525 1.00 57.26 O +ANISOU 72 O THR A 10 7639 5887 8228 134 806 -501 O +ATOM 73 CB THR A 10 -7.930 1.531 -30.864 1.00 50.80 C +ANISOU 73 CB THR A 10 6804 5512 6986 -68 378 -588 C +ATOM 74 OG1 THR A 10 -6.968 2.554 -30.671 1.00 53.43 O +ANISOU 74 OG1 THR A 10 7157 5704 7440 -168 390 -696 O +ATOM 75 CG2 THR A 10 -7.278 0.462 -31.693 1.00 50.38 C +ANISOU 75 CG2 THR A 10 6674 5593 6874 -73 264 -466 C +ATOM 76 N PRO A 11 -10.106 3.393 -29.679 1.00 56.03 N +ANISOU 76 N PRO A 11 7607 5897 7785 72 733 -722 N +ATOM 77 CA PRO A 11 -10.427 4.652 -28.979 1.00 58.93 C +ANISOU 77 CA PRO A 11 8085 6039 8264 79 922 -863 C +ATOM 78 C PRO A 11 -9.259 5.590 -28.772 1.00 63.22 C +ANISOU 78 C PRO A 11 8697 6403 8918 -73 935 -1031 C +ATOM 79 O PRO A 11 -9.508 6.756 -28.521 1.00 69.60 O +ANISOU 79 O PRO A 11 9594 6966 9884 -65 1137 -1123 O +ATOM 80 CB PRO A 11 -10.886 4.178 -27.593 1.00 59.38 C +ANISOU 80 CB PRO A 11 8256 6185 8120 51 924 -1030 C +ATOM 81 CG PRO A 11 -11.306 2.750 -27.777 1.00 55.35 C +ANISOU 81 CG PRO A 11 7663 5915 7451 96 802 -896 C +ATOM 82 CD PRO A 11 -10.443 2.207 -28.868 1.00 52.67 C +ANISOU 82 CD PRO A 11 7215 5657 7140 56 649 -769 C +ATOM 83 N GLU A 12 -8.030 5.041 -28.776 1.00 70.08 N +ANISOU 83 N GLU A 12 9526 7398 9704 -217 738 -1080 N +ATOM 84 CA GLU A 12 -6.732 5.771 -28.699 1.00 69.59 C +ANISOU 84 CA GLU A 12 9470 7225 9747 -402 705 -1227 C +ATOM 85 C GLU A 12 -6.252 6.249 -30.096 1.00 71.32 C +ANISOU 85 C GLU A 12 9578 7319 10199 -369 757 -1033 C +ATOM 86 O GLU A 12 -5.575 7.279 -30.200 1.00 82.47 O +ANISOU 86 O GLU A 12 11009 8520 11805 -484 854 -1123 O +ATOM 87 CB GLU A 12 -5.618 4.877 -28.105 1.00 80.51 C +ANISOU 87 CB GLU A 12 10809 8855 10925 -546 460 -1320 C +ATOM 88 CG GLU A 12 -5.569 4.624 -26.578 1.00 89.15 C +ANISOU 88 CG GLU A 12 12010 10093 11769 -643 381 -1555 C +ATOM 89 CD GLU A 12 -4.271 3.871 -26.137 1.00 96.47 C +ANISOU 89 CD GLU A 12 12846 11289 12519 -771 133 -1597 C +ATOM 90 OE1 GLU A 12 -3.440 4.458 -25.401 1.00 86.42 O +ANISOU 90 OE1 GLU A 12 11584 10049 11202 -968 64 -1827 O +ATOM 91 OE2 GLU A 12 -4.044 2.692 -26.542 1.00 87.89 O +ANISOU 91 OE2 GLU A 12 11665 10388 11340 -678 12 -1398 O +ATOM 92 N GLY A 13 -6.566 5.500 -31.160 1.00 63.49 N +ANISOU 92 N GLY A 13 8479 6460 9184 -227 703 -780 N +ATOM 93 CA GLY A 13 -6.219 5.913 -32.504 1.00 59.26 C +ANISOU 93 CA GLY A 13 7850 5841 8826 -167 764 -575 C +ATOM 94 C GLY A 13 -6.111 4.770 -33.479 1.00 56.21 C +ANISOU 94 C GLY A 13 7353 5681 8322 -92 628 -378 C +ATOM 95 O GLY A 13 -6.534 3.652 -33.197 1.00 53.58 O +ANISOU 95 O GLY A 13 7018 5544 7795 -65 517 -379 O +ATOM 96 N GLU A 14 -5.519 5.057 -34.631 1.00 54.33 N +ANISOU 96 N GLU A 14 7036 5399 8206 -65 661 -215 N +ATOM 97 CA GLU A 14 -5.492 4.115 -35.751 1.00 60.06 C +ANISOU 97 CA GLU A 14 7674 6319 8826 19 577 -23 C +ATOM 98 C GLU A 14 -4.126 3.540 -35.940 1.00 51.22 C +ANISOU 98 C GLU A 14 6504 5271 7684 -88 464 -38 C +ATOM 99 O GLU A 14 -3.198 4.277 -36.050 1.00 52.79 O +ANISOU 99 O GLU A 14 6674 5338 8045 -172 512 -55 O +ATOM 100 CB GLU A 14 -5.953 4.814 -37.053 1.00 67.15 C +ANISOU 100 CB GLU A 14 8513 7162 9837 174 715 218 C +ATOM 101 CG GLU A 14 -7.367 5.360 -36.842 1.00 82.24 C +ANISOU 101 CG GLU A 14 10442 9031 11772 314 834 268 C +ATOM 102 CD GLU A 14 -7.938 6.250 -37.944 1.00 92.51 C +ANISOU 102 CD GLU A 14 11677 10275 13196 506 998 534 C +ATOM 103 OE1 GLU A 14 -7.274 6.424 -38.992 1.00104.38 O +ANISOU 103 OE1 GLU A 14 13129 11783 14748 536 1022 696 O +ATOM 104 OE2 GLU A 14 -9.080 6.772 -37.742 1.00 86.19 O +ANISOU 104 OE2 GLU A 14 10870 9437 12438 645 1116 601 O +ATOM 105 N LEU A 15 -4.066 2.220 -36.076 1.00 51.18 N +ANISOU 105 N LEU A 15 6481 5467 7497 -72 343 -11 N +ATOM 106 CA LEU A 15 -2.856 1.402 -36.095 1.00 54.47 C +ANISOU 106 CA LEU A 15 6850 5982 7861 -141 239 -15 C +ATOM 107 C LEU A 15 -3.099 0.276 -37.078 1.00 53.30 C +ANISOU 107 C LEU A 15 6690 5980 7581 -52 221 115 C +ATOM 108 O LEU A 15 -4.183 -0.290 -37.098 1.00 48.80 O +ANISOU 108 O LEU A 15 6160 5493 6889 1 217 115 O +ATOM 109 CB LEU A 15 -2.708 0.632 -34.773 1.00 53.82 C +ANISOU 109 CB LEU A 15 6808 6004 7634 -208 122 -164 C +ATOM 110 CG LEU A 15 -2.570 1.415 -33.509 1.00 64.22 C +ANISOU 110 CG LEU A 15 8165 7251 8981 -319 102 -355 C +ATOM 111 CD1 LEU A 15 -2.755 0.471 -32.348 1.00 68.91 C +ANISOU 111 CD1 LEU A 15 8813 8000 9367 -328 0 -448 C +ATOM 112 CD2 LEU A 15 -1.203 2.057 -33.474 1.00 66.88 C +ANISOU 112 CD2 LEU A 15 8412 7542 9455 -454 71 -403 C +ATOM 113 N GLU A 16 -2.062 -0.144 -37.776 1.00 49.83 N +ANISOU 113 N GLU A 16 6195 5579 7157 -55 214 200 N +ATOM 114 CA GLU A 16 -2.191 -1.180 -38.784 1.00 52.00 C +ANISOU 114 CA GLU A 16 6480 5971 7306 14 227 299 C +ATOM 115 C GLU A 16 -1.165 -2.260 -38.528 1.00 44.99 C +ANISOU 115 C GLU A 16 5581 5146 6365 -5 183 291 C +ATOM 116 O GLU A 16 -0.027 -1.953 -38.247 1.00 41.15 O +ANISOU 116 O GLU A 16 5017 4632 5983 -49 162 300 O +ATOM 117 CB GLU A 16 -1.924 -0.519 -40.111 1.00 56.47 C +ANISOU 117 CB GLU A 16 6996 6506 7952 73 320 454 C +ATOM 118 CG GLU A 16 -2.598 -1.111 -41.299 1.00 64.79 C +ANISOU 118 CG GLU A 16 8072 7693 8851 152 352 546 C +ATOM 119 CD GLU A 16 -2.299 -0.276 -42.542 1.00 77.28 C +ANISOU 119 CD GLU A 16 9604 9258 10500 229 453 725 C +ATOM 120 OE1 GLU A 16 -1.932 -0.864 -43.609 1.00 78.06 O +ANISOU 120 OE1 GLU A 16 9708 9456 10491 269 492 807 O +ATOM 121 OE2 GLU A 16 -2.392 0.977 -42.427 1.00 67.17 O +ANISOU 121 OE2 GLU A 16 8290 7846 9385 251 517 784 O +ATOM 122 N VAL A 17 -1.538 -3.520 -38.672 1.00 44.95 N +ANISOU 122 N VAL A 17 5642 5223 6212 27 187 284 N +ATOM 123 CA VAL A 17 -0.578 -4.609 -38.466 1.00 43.94 C +ANISOU 123 CA VAL A 17 5513 5132 6048 46 189 310 C +ATOM 124 C VAL A 17 -0.754 -5.509 -39.643 1.00 44.55 C +ANISOU 124 C VAL A 17 5652 5239 6033 92 285 360 C +ATOM 125 O VAL A 17 -1.732 -5.387 -40.374 1.00 43.66 O +ANISOU 125 O VAL A 17 5577 5162 5847 87 308 346 O +ATOM 126 CB VAL A 17 -0.860 -5.372 -37.157 1.00 48.00 C +ANISOU 126 CB VAL A 17 6081 5682 6472 37 134 232 C +ATOM 127 CG1 VAL A 17 -0.799 -4.395 -35.985 1.00 48.79 C +ANISOU 127 CG1 VAL A 17 6138 5776 6622 -25 37 146 C +ATOM 128 CG2 VAL A 17 -2.229 -6.014 -37.217 1.00 46.07 C +ANISOU 128 CG2 VAL A 17 5942 5449 6111 34 172 170 C +ATOM 129 N GLU A 18 0.203 -6.379 -39.858 1.00 39.17 N +ANISOU 129 N GLU A 18 4974 4558 5351 139 347 420 N +ATOM 130 CA GLU A 18 0.027 -7.446 -40.834 1.00 45.65 C +ANISOU 130 CA GLU A 18 5895 5385 6065 169 468 423 C +ATOM 131 C GLU A 18 -0.549 -8.660 -40.120 1.00 42.91 C +ANISOU 131 C GLU A 18 5658 5017 5628 157 500 342 C +ATOM 132 O GLU A 18 -0.225 -8.908 -38.983 1.00 50.61 O +ANISOU 132 O GLU A 18 6614 5981 6632 182 459 356 O +ATOM 133 CB GLU A 18 1.373 -7.869 -41.404 1.00 49.05 C +ANISOU 133 CB GLU A 18 6290 5791 6555 246 574 536 C +ATOM 134 CG GLU A 18 1.849 -7.008 -42.535 1.00 63.96 C +ANISOU 134 CG GLU A 18 8110 7691 8497 264 618 626 C +ATOM 135 CD GLU A 18 3.316 -7.261 -42.867 1.00 75.06 C +ANISOU 135 CD GLU A 18 9436 9075 10006 344 719 757 C +ATOM 136 OE1 GLU A 18 3.833 -8.337 -42.508 1.00 68.87 O +ANISOU 136 OE1 GLU A 18 8682 8270 9214 408 790 779 O +ATOM 137 OE2 GLU A 18 3.953 -6.347 -43.437 1.00 86.26 O +ANISOU 137 OE2 GLU A 18 10749 10492 11532 351 741 855 O +ATOM 138 N CYS A 19 -1.403 -9.397 -40.824 1.00 42.18 N +ANISOU 138 N CYS A 19 5675 4930 5420 110 580 258 N +ATOM 139 CA CYS A 19 -2.100 -10.522 -40.319 1.00 42.40 C +ANISOU 139 CA CYS A 19 5816 4913 5379 67 646 167 C +ATOM 140 C CYS A 19 -2.196 -11.521 -41.439 1.00 43.87 C +ANISOU 140 C CYS A 19 6123 5068 5477 29 804 99 C +ATOM 141 O CYS A 19 -2.743 -11.212 -42.516 1.00 43.45 O +ANISOU 141 O CYS A 19 6070 5112 5326 -37 790 39 O +ATOM 142 CB CYS A 19 -3.524 -10.140 -39.826 1.00 45.74 C +ANISOU 142 CB CYS A 19 6229 5397 5751 -23 551 67 C +ATOM 143 SG CYS A 19 -4.342 -11.539 -39.028 1.00 48.02 S +ANISOU 143 SG CYS A 19 6646 5607 5990 -86 658 -31 S +ATOM 144 N ASP A 20 -1.642 -12.721 -41.204 1.00 45.23 N +ANISOU 144 N ASP A 20 6401 5109 5674 79 970 112 N +ATOM 145 CA ASP A 20 -1.719 -13.795 -42.164 1.00 47.07 C +ANISOU 145 CA ASP A 20 6786 5262 5833 28 1168 13 C +ATOM 146 C ASP A 20 -3.181 -14.220 -42.331 1.00 49.54 C +ANISOU 146 C ASP A 20 7175 5613 6035 -157 1166 -185 C +ATOM 147 O ASP A 20 -4.027 -14.046 -41.400 1.00 46.05 O +ANISOU 147 O ASP A 20 6690 5197 5609 -209 1069 -212 O +ATOM 148 CB ASP A 20 -0.895 -14.979 -41.694 1.00 49.71 C +ANISOU 148 CB ASP A 20 7224 5411 6252 141 1380 87 C +ATOM 149 CG ASP A 20 0.620 -14.723 -41.766 1.00 64.33 C +ANISOU 149 CG ASP A 20 8980 7254 8207 325 1414 288 C +ATOM 150 OD1 ASP A 20 1.122 -14.017 -42.690 1.00 70.08 O +ANISOU 150 OD1 ASP A 20 9639 8062 8926 341 1382 324 O +ATOM 151 OD2 ASP A 20 1.349 -15.271 -40.906 1.00 70.59 O +ANISOU 151 OD2 ASP A 20 9755 7971 9092 465 1489 432 O +ATOM 152 N ASP A 21 -3.481 -14.806 -43.487 1.00 48.95 N +ANISOU 152 N ASP A 21 7206 5550 5840 -269 1280 -332 N +ATOM 153 CA ASP A 21 -4.886 -15.213 -43.792 1.00 52.07 C +ANISOU 153 CA ASP A 21 7641 6029 6111 -489 1264 -547 C +ATOM 154 C ASP A 21 -5.466 -16.364 -42.961 1.00 52.45 C +ANISOU 154 C ASP A 21 7805 5898 6224 -586 1412 -652 C +ATOM 155 O ASP A 21 -6.664 -16.621 -43.076 1.00 52.58 O +ANISOU 155 O ASP A 21 7815 5996 6165 -785 1384 -823 O +ATOM 156 CB ASP A 21 -5.080 -15.591 -45.251 1.00 52.20 C +ANISOU 156 CB ASP A 21 7744 6142 5948 -620 1342 -716 C +ATOM 157 CG ASP A 21 -4.192 -16.744 -45.675 1.00 54.79 C +ANISOU 157 CG ASP A 21 8277 6240 6300 -591 1630 -772 C +ATOM 158 OD1 ASP A 21 -3.555 -17.399 -44.833 1.00 60.00 O +ANISOU 158 OD1 ASP A 21 9012 6660 7124 -475 1787 -678 O +ATOM 159 OD2 ASP A 21 -4.087 -16.978 -46.873 1.00 66.22 O +ANISOU 159 OD2 ASP A 21 9812 7754 7595 -664 1713 -895 O +ATOM 160 N ASP A 22 -4.630 -17.059 -42.198 1.00 51.20 N +ANISOU 160 N ASP A 22 7738 5513 6200 -447 1580 -538 N +ATOM 161 CA ASP A 22 -5.098 -18.073 -41.256 1.00 62.00 C +ANISOU 161 CA ASP A 22 9213 6691 7651 -492 1741 -573 C +ATOM 162 C ASP A 22 -4.625 -17.744 -39.835 1.00 59.08 C +ANISOU 162 C ASP A 22 8764 6294 7388 -296 1668 -346 C +ATOM 163 O ASP A 22 -4.377 -18.629 -39.062 1.00 56.04 O +ANISOU 163 O ASP A 22 8478 5724 7088 -214 1851 -264 O +ATOM 164 CB ASP A 22 -4.624 -19.475 -41.714 1.00 71.33 C +ANISOU 164 CB ASP A 22 10621 7602 8879 -509 2084 -652 C +ATOM 165 CG ASP A 22 -3.093 -19.576 -41.838 1.00 78.00 C +ANISOU 165 CG ASP A 22 11493 8340 9802 -254 2204 -448 C +ATOM 166 OD1 ASP A 22 -2.396 -18.536 -41.681 1.00 74.86 O +ANISOU 166 OD1 ASP A 22 10926 8102 9414 -102 2002 -272 O +ATOM 167 OD2 ASP A 22 -2.585 -20.697 -42.122 1.00 91.53 O +ANISOU 167 OD2 ASP A 22 13392 9804 11580 -212 2520 -469 O +ATOM 168 N VAL A 23 -4.476 -16.441 -39.535 1.00 58.45 N +ANISOU 168 N VAL A 23 8509 6406 7294 -222 1411 -246 N +ATOM 169 CA VAL A 23 -4.282 -15.937 -38.191 1.00 51.17 C +ANISOU 169 CA VAL A 23 7497 5521 6421 -98 1292 -96 C +ATOM 170 C VAL A 23 -5.446 -15.027 -37.852 1.00 51.90 C +ANISOU 170 C VAL A 23 7486 5767 6465 -205 1102 -177 C +ATOM 171 O VAL A 23 -5.900 -14.243 -38.695 1.00 52.44 O +ANISOU 171 O VAL A 23 7471 5973 6479 -287 979 -252 O +ATOM 172 CB VAL A 23 -2.914 -15.295 -38.008 1.00 53.75 C +ANISOU 172 CB VAL A 23 7721 5902 6798 84 1203 86 C +ATOM 173 CG1 VAL A 23 -2.782 -14.588 -36.643 1.00 51.64 C +ANISOU 173 CG1 VAL A 23 7345 5733 6542 168 1034 192 C +ATOM 174 CG2 VAL A 23 -1.872 -16.402 -38.166 1.00 52.89 C +ANISOU 174 CG2 VAL A 23 7712 5629 6754 219 1438 196 C +ATOM 175 N TYR A 24 -6.020 -15.271 -36.669 1.00 49.92 N +ANISOU 175 N TYR A 24 7252 5485 6229 -201 1118 -157 N +ATOM 176 CA TYR A 24 -7.105 -14.448 -36.120 1.00 49.53 C +ANISOU 176 CA TYR A 24 7107 5561 6149 -269 973 -210 C +ATOM 177 C TYR A 24 -6.598 -13.062 -35.859 1.00 47.90 C +ANISOU 177 C TYR A 24 6775 5477 5946 -174 771 -133 C +ATOM 178 O TYR A 24 -5.530 -12.835 -35.330 1.00 50.41 O +ANISOU 178 O TYR A 24 7074 5788 6289 -48 730 -19 O +ATOM 179 CB TYR A 24 -7.664 -14.995 -34.792 1.00 53.15 C +ANISOU 179 CB TYR A 24 7622 5953 6617 -252 1058 -177 C +ATOM 180 CG TYR A 24 -8.368 -16.349 -34.905 1.00 54.34 C +ANISOU 180 CG TYR A 24 7898 5950 6796 -378 1291 -263 C +ATOM 181 CD1 TYR A 24 -9.369 -16.572 -35.863 1.00 61.64 C +ANISOU 181 CD1 TYR A 24 8804 6911 7703 -595 1316 -450 C +ATOM 182 CD2 TYR A 24 -8.040 -17.385 -34.061 1.00 58.06 C +ANISOU 182 CD2 TYR A 24 8497 6251 7312 -288 1491 -157 C +ATOM 183 CE1 TYR A 24 -10.013 -17.808 -35.976 1.00 67.82 C +ANISOU 183 CE1 TYR A 24 9699 7540 8526 -757 1542 -565 C +ATOM 184 CE2 TYR A 24 -8.691 -18.634 -34.147 1.00 67.21 C +ANISOU 184 CE2 TYR A 24 9786 7220 8531 -418 1749 -239 C +ATOM 185 CZ TYR A 24 -9.672 -18.847 -35.099 1.00 67.30 C +ANISOU 185 CZ TYR A 24 9783 7246 8539 -670 1777 -462 C +ATOM 186 OH TYR A 24 -10.304 -20.070 -35.167 1.00 63.80 O +ANISOU 186 OH TYR A 24 9466 6605 8170 -838 2041 -574 O +ATOM 187 N VAL A 25 -7.413 -12.132 -36.241 1.00 46.10 N +ANISOU 187 N VAL A 25 6451 5365 5699 -242 655 -197 N +ATOM 188 CA VAL A 25 -7.117 -10.720 -36.104 1.00 50.13 C +ANISOU 188 CA VAL A 25 6853 5957 6237 -176 500 -147 C +ATOM 189 C VAL A 25 -6.622 -10.284 -34.725 1.00 49.08 C +ANISOU 189 C VAL A 25 6716 5810 6120 -88 441 -91 C +ATOM 190 O VAL A 25 -5.602 -9.548 -34.601 1.00 48.80 O +ANISOU 190 O VAL A 25 6626 5791 6124 -25 355 -35 O +ATOM 191 CB VAL A 25 -8.407 -10.000 -36.511 1.00 51.95 C +ANISOU 191 CB VAL A 25 6992 6297 6447 -248 438 -209 C +ATOM 192 CG1 VAL A 25 -8.482 -8.654 -35.889 1.00 65.37 C +ANISOU 192 CG1 VAL A 25 8616 8025 8196 -180 340 -173 C +ATOM 193 CG2 VAL A 25 -8.427 -9.935 -38.033 1.00 52.86 C +ANISOU 193 CG2 VAL A 25 7066 6496 6519 -296 427 -223 C +ATOM 194 N LEU A 26 -7.301 -10.753 -33.681 1.00 50.45 N +ANISOU 194 N LEU A 26 6944 5968 6256 -94 493 -112 N +ATOM 195 CA LEU A 26 -6.902 -10.450 -32.290 1.00 47.33 C +ANISOU 195 CA LEU A 26 6562 5597 5822 -14 443 -70 C +ATOM 196 C LEU A 26 -5.498 -10.894 -32.035 1.00 47.06 C +ANISOU 196 C LEU A 26 6537 5561 5781 82 436 39 C +ATOM 197 O LEU A 26 -4.721 -10.194 -31.377 1.00 55.96 O +ANISOU 197 O LEU A 26 7607 6768 6888 128 318 66 O +ATOM 198 CB LEU A 26 -7.807 -11.200 -31.306 1.00 53.55 C +ANISOU 198 CB LEU A 26 7430 6361 6552 -20 551 -79 C +ATOM 199 CG LEU A 26 -7.510 -11.161 -29.801 1.00 55.13 C +ANISOU 199 CG LEU A 26 7674 6613 6658 70 531 -26 C +ATOM 200 CD1 LEU A 26 -7.326 -9.720 -29.325 1.00 55.80 C +ANISOU 200 CD1 LEU A 26 7695 6785 6722 71 376 -95 C +ATOM 201 CD2 LEU A 26 -8.666 -11.852 -29.032 1.00 61.83 C +ANISOU 201 CD2 LEU A 26 8600 7428 7463 52 674 -33 C +ATOM 202 N ASP A 27 -5.136 -12.069 -32.524 1.00 48.10 N +ANISOU 202 N ASP A 27 6734 5609 5931 111 571 103 N +ATOM 203 CA ASP A 27 -3.762 -12.587 -32.305 1.00 48.67 C +ANISOU 203 CA ASP A 27 6797 5686 6010 241 594 251 C +ATOM 204 C ASP A 27 -2.701 -11.814 -33.061 1.00 52.00 C +ANISOU 204 C ASP A 27 7102 6157 6495 255 488 280 C +ATOM 205 O ASP A 27 -1.619 -11.648 -32.546 1.00 53.84 O +ANISOU 205 O ASP A 27 7252 6477 6725 342 414 382 O +ATOM 206 CB ASP A 27 -3.670 -14.036 -32.649 1.00 52.61 C +ANISOU 206 CB ASP A 27 7412 6040 6537 286 816 319 C +ATOM 207 CG ASP A 27 -4.541 -14.887 -31.735 1.00 63.74 C +ANISOU 207 CG ASP A 27 8934 7380 7902 289 954 332 C +ATOM 208 OD1 ASP A 27 -4.580 -14.630 -30.517 1.00 77.44 O +ANISOU 208 OD1 ASP A 27 10653 9216 9555 357 885 392 O +ATOM 209 OD2 ASP A 27 -5.228 -15.780 -32.232 1.00 66.17 O +ANISOU 209 OD2 ASP A 27 9347 7539 8253 206 1139 268 O +ATOM 210 N ALA A 28 -3.001 -11.313 -34.254 1.00 45.81 N +ANISOU 210 N ALA A 28 6297 5346 5763 172 479 200 N +ATOM 211 CA ALA A 28 -2.052 -10.414 -34.921 1.00 45.27 C +ANISOU 211 CA ALA A 28 6113 5321 5765 182 389 237 C +ATOM 212 C ALA A 28 -1.874 -9.098 -34.113 1.00 46.76 C +ANISOU 212 C ALA A 28 6200 5596 5968 152 219 201 C +ATOM 213 O ALA A 28 -0.782 -8.604 -33.981 1.00 48.55 O +ANISOU 213 O ALA A 28 6321 5880 6246 174 142 256 O +ATOM 214 CB ALA A 28 -2.542 -10.096 -36.327 1.00 48.41 C +ANISOU 214 CB ALA A 28 6517 5691 6185 111 423 175 C +ATOM 215 N ALA A 29 -2.956 -8.547 -33.566 1.00 46.59 N +ANISOU 215 N ALA A 29 6211 5582 5908 92 177 97 N +ATOM 216 CA ALA A 29 -2.882 -7.367 -32.726 1.00 45.37 C +ANISOU 216 CA ALA A 29 6001 5476 5760 54 58 28 C +ATOM 217 C ALA A 29 -2.026 -7.590 -31.506 1.00 45.22 C +ANISOU 217 C ALA A 29 5953 5566 5662 94 -18 63 C +ATOM 218 O ALA A 29 -1.157 -6.760 -31.212 1.00 50.70 O +ANISOU 218 O ALA A 29 6546 6327 6390 54 -129 39 O +ATOM 219 CB ALA A 29 -4.268 -6.959 -32.299 1.00 45.68 C +ANISOU 219 CB ALA A 29 6100 5492 5763 13 76 -74 C +ATOM 220 N GLU A 30 -2.244 -8.704 -30.827 1.00 46.60 N +ANISOU 220 N GLU A 30 6205 5769 5730 169 45 128 N +ATOM 221 CA GLU A 30 -1.476 -9.042 -29.636 1.00 54.76 C +ANISOU 221 CA GLU A 30 7206 6952 6646 243 -23 204 C +ATOM 222 C GLU A 30 -0.050 -9.331 -29.955 1.00 54.21 C +ANISOU 222 C GLU A 30 7010 6960 6626 313 -60 346 C +ATOM 223 O GLU A 30 0.832 -8.823 -29.288 1.00 59.88 O +ANISOU 223 O GLU A 30 7604 7849 7298 302 -205 354 O +ATOM 224 CB GLU A 30 -2.122 -10.183 -28.852 1.00 62.74 C +ANISOU 224 CB GLU A 30 8340 7960 7538 332 92 277 C +ATOM 225 CG GLU A 30 -3.470 -9.711 -28.236 1.00 72.73 C +ANISOU 225 CG GLU A 30 9697 9198 8739 260 106 134 C +ATOM 226 CD GLU A 30 -4.256 -10.812 -27.471 1.00 84.77 C +ANISOU 226 CD GLU A 30 11347 10699 10163 332 254 206 C +ATOM 227 OE1 GLU A 30 -4.358 -12.001 -27.950 1.00 80.99 O +ANISOU 227 OE1 GLU A 30 10932 10104 9737 384 419 311 O +ATOM 228 OE2 GLU A 30 -4.785 -10.463 -26.379 1.00 83.98 O +ANISOU 228 OE2 GLU A 30 11293 10681 9934 331 227 148 O +ATOM 229 N GLU A 31 0.205 -10.073 -31.022 1.00 59.74 N +ANISOU 229 N GLU A 31 7727 7548 7422 373 72 443 N +ATOM 230 CA GLU A 31 1.574 -10.229 -31.535 1.00 56.65 C +ANISOU 230 CA GLU A 31 7199 7210 7113 445 65 582 C +ATOM 231 C GLU A 31 2.251 -8.862 -31.829 1.00 60.42 C +ANISOU 231 C GLU A 31 7517 7754 7685 328 -85 505 C +ATOM 232 O GLU A 31 3.462 -8.797 -31.776 1.00 66.23 O +ANISOU 232 O GLU A 31 8087 8613 8463 365 -148 610 O +ATOM 233 CB GLU A 31 1.536 -11.120 -32.771 1.00 64.23 C +ANISOU 233 CB GLU A 31 8243 7999 8160 503 266 648 C +ATOM 234 CG GLU A 31 2.861 -11.443 -33.471 1.00 83.36 C +ANISOU 234 CG GLU A 31 10552 10436 10682 606 328 807 C +ATOM 235 CD GLU A 31 3.790 -12.366 -32.669 1.00102.53 C +ANISOU 235 CD GLU A 31 12908 12976 13073 795 367 1027 C +ATOM 236 OE1 GLU A 31 3.385 -12.888 -31.594 1.00113.60 O +ANISOU 236 OE1 GLU A 31 14374 14434 14355 859 366 1071 O +ATOM 237 OE2 GLU A 31 4.946 -12.569 -33.121 1.00102.50 O +ANISOU 237 OE2 GLU A 31 12770 13016 13158 898 412 1182 O +ATOM 238 N ALA A 32 1.502 -7.778 -32.127 1.00 57.02 N +ANISOU 238 N ALA A 32 7120 7240 7301 193 -126 339 N +ATOM 239 CA ALA A 32 2.120 -6.424 -32.410 1.00 59.13 C +ANISOU 239 CA ALA A 32 7255 7519 7692 72 -224 265 C +ATOM 240 C ALA A 32 2.224 -5.516 -31.195 1.00 56.89 C +ANISOU 240 C ALA A 32 6920 7349 7346 -41 -378 124 C +ATOM 241 O ALA A 32 2.754 -4.418 -31.279 1.00 65.02 O +ANISOU 241 O ALA A 32 7847 8373 8484 -167 -445 38 O +ATOM 242 CB ALA A 32 1.377 -5.676 -33.506 1.00 53.40 C +ANISOU 242 CB ALA A 32 6588 6626 7076 11 -149 198 C +ATOM 243 N GLY A 33 1.719 -5.987 -30.077 1.00 55.56 N +ANISOU 243 N GLY A 33 6832 7274 7000 -3 -414 93 N +ATOM 244 CA GLY A 33 1.778 -5.257 -28.849 1.00 58.15 C +ANISOU 244 CA GLY A 33 7139 7738 7215 -106 -550 -56 C +ATOM 245 C GLY A 33 0.546 -4.451 -28.568 1.00 60.01 C +ANISOU 245 C GLY A 33 7520 7837 7440 -190 -508 -246 C +ATOM 246 O GLY A 33 0.620 -3.573 -27.741 1.00 69.82 O +ANISOU 246 O GLY A 33 8758 9139 8629 -310 -593 -418 O +ATOM 247 N ILE A 34 -0.586 -4.759 -29.224 1.00 61.19 N +ANISOU 247 N ILE A 34 7792 7820 7635 -130 -370 -221 N +ATOM 248 CA ILE A 34 -1.840 -4.017 -29.038 1.00 58.99 C +ANISOU 248 CA ILE A 34 7627 7418 7368 -177 -306 -363 C +ATOM 249 C ILE A 34 -2.765 -4.786 -28.094 1.00 62.15 C +ANISOU 249 C ILE A 34 8149 7876 7589 -107 -261 -367 C +ATOM 250 O ILE A 34 -3.056 -5.947 -28.343 1.00 63.50 O +ANISOU 250 O ILE A 34 8359 8045 7721 -13 -186 -239 O +ATOM 251 CB ILE A 34 -2.577 -3.788 -30.390 1.00 61.05 C +ANISOU 251 CB ILE A 34 7905 7506 7785 -156 -191 -318 C +ATOM 252 CG1 ILE A 34 -1.701 -2.983 -31.385 1.00 65.68 C +ANISOU 252 CG1 ILE A 34 8381 8020 8552 -209 -201 -287 C +ATOM 253 CG2 ILE A 34 -3.890 -3.029 -30.184 1.00 63.01 C +ANISOU 253 CG2 ILE A 34 8237 7650 8053 -172 -114 -425 C +ATOM 254 CD1 ILE A 34 -2.244 -3.016 -32.822 1.00 63.49 C +ANISOU 254 CD1 ILE A 34 8108 7640 8375 -155 -98 -187 C +ATOM 255 N ASP A 35 -3.244 -4.141 -27.030 1.00 63.70 N +ANISOU 255 N ASP A 35 8416 8102 7682 -158 -279 -520 N +ATOM 256 CA ASP A 35 -4.088 -4.826 -26.025 1.00 71.88 C +ANISOU 256 CA ASP A 35 9569 9207 8534 -87 -222 -516 C +ATOM 257 C ASP A 35 -5.567 -4.529 -26.307 1.00 64.56 C +ANISOU 257 C ASP A 35 8725 8121 7682 -77 -78 -569 C +ATOM 258 O ASP A 35 -6.130 -3.476 -25.980 1.00 66.69 O +ANISOU 258 O ASP A 35 9040 8315 7983 -127 -40 -715 O +ATOM 259 CB ASP A 35 -3.667 -4.503 -24.557 1.00 81.85 C +ANISOU 259 CB ASP A 35 10862 10660 9575 -127 -325 -633 C +ATOM 260 CG ASP A 35 -2.375 -5.278 -24.107 1.00 93.06 C +ANISOU 260 CG ASP A 35 12178 12327 10851 -75 -463 -497 C +ATOM 261 OD1 ASP A 35 -2.081 -6.430 -24.567 1.00 87.57 O +ANISOU 261 OD1 ASP A 35 11448 11645 10179 50 -418 -279 O +ATOM 262 OD2 ASP A 35 -1.644 -4.712 -23.270 1.00100.07 O +ANISOU 262 OD2 ASP A 35 13013 13406 11600 -161 -608 -613 O +ATOM 263 N LEU A 36 -6.157 -5.471 -27.010 1.00 61.66 N +ANISOU 263 N LEU A 36 8363 7702 7362 -15 12 -444 N +ATOM 264 CA LEU A 36 -7.533 -5.410 -27.353 1.00 56.54 C +ANISOU 264 CA LEU A 36 7746 6959 6776 -6 133 -460 C +ATOM 265 C LEU A 36 -8.274 -6.365 -26.418 1.00 58.83 C +ANISOU 265 C LEU A 36 8125 7301 6925 45 227 -424 C +ATOM 266 O LEU A 36 -7.725 -7.349 -25.938 1.00 59.91 O +ANISOU 266 O LEU A 36 8295 7514 6951 96 222 -330 O +ATOM 267 CB LEU A 36 -7.736 -5.829 -28.796 1.00 54.45 C +ANISOU 267 CB LEU A 36 7414 6631 6642 -9 169 -370 C +ATOM 268 CG LEU A 36 -7.150 -4.979 -29.924 1.00 47.43 C +ANISOU 268 CG LEU A 36 6437 5685 5896 -39 115 -362 C +ATOM 269 CD1 LEU A 36 -7.661 -5.559 -31.235 1.00 51.84 C +ANISOU 269 CD1 LEU A 36 6953 6228 6515 -36 168 -282 C +ATOM 270 CD2 LEU A 36 -7.550 -3.538 -29.754 1.00 48.45 C +ANISOU 270 CD2 LEU A 36 6559 5739 6109 -60 130 -458 C +ATOM 271 N PRO A 37 -9.531 -6.066 -26.158 1.00 52.73 N +ANISOU 271 N PRO A 37 7383 6483 6166 48 333 -477 N +ATOM 272 CA PRO A 37 -10.189 -6.803 -25.130 1.00 48.70 C +ANISOU 272 CA PRO A 37 6960 6021 5521 94 437 -451 C +ATOM 273 C PRO A 37 -10.579 -8.210 -25.630 1.00 53.45 C +ANISOU 273 C PRO A 37 7558 6591 6158 100 538 -324 C +ATOM 274 O PRO A 37 -10.785 -8.477 -26.837 1.00 49.32 O +ANISOU 274 O PRO A 37 6961 6008 5767 49 548 -299 O +ATOM 275 CB PRO A 37 -11.382 -5.907 -24.791 1.00 51.49 C +ANISOU 275 CB PRO A 37 7326 6326 5910 95 535 -549 C +ATOM 276 CG PRO A 37 -11.712 -5.243 -26.095 1.00 57.15 C +ANISOU 276 CG PRO A 37 7927 6960 6825 64 521 -547 C +ATOM 277 CD PRO A 37 -10.372 -5.018 -26.760 1.00 53.71 C +ANISOU 277 CD PRO A 37 7454 6520 6432 30 379 -538 C +ATOM 278 N TYR A 38 -10.593 -9.140 -24.698 1.00 52.25 N +ANISOU 278 N TYR A 38 7494 6481 5875 159 621 -244 N +ATOM 279 CA TYR A 38 -11.096 -10.464 -24.975 1.00 58.41 C +ANISOU 279 CA TYR A 38 8299 7189 6702 152 774 -141 C +ATOM 280 C TYR A 38 -11.545 -11.071 -23.664 1.00 53.69 C +ANISOU 280 C TYR A 38 7809 6629 5962 227 913 -70 C +ATOM 281 O TYR A 38 -11.164 -10.607 -22.581 1.00 52.44 O +ANISOU 281 O TYR A 38 7709 6589 5625 301 856 -82 O +ATOM 282 CB TYR A 38 -9.996 -11.359 -25.594 1.00 54.60 C +ANISOU 282 CB TYR A 38 7821 6673 6252 178 755 -32 C +ATOM 283 CG TYR A 38 -8.783 -11.536 -24.706 1.00 57.28 C +ANISOU 283 CG TYR A 38 8199 7128 6435 299 678 70 C +ATOM 284 CD1 TYR A 38 -7.743 -10.603 -24.717 1.00 57.17 C +ANISOU 284 CD1 TYR A 38 8115 7222 6383 300 480 19 C +ATOM 285 CD2 TYR A 38 -8.679 -12.620 -23.830 1.00 58.87 C +ANISOU 285 CD2 TYR A 38 8492 7349 6525 412 809 232 C +ATOM 286 CE1 TYR A 38 -6.629 -10.752 -23.885 1.00 58.64 C +ANISOU 286 CE1 TYR A 38 8295 7574 6409 396 383 113 C +ATOM 287 CE2 TYR A 38 -7.565 -12.768 -22.985 1.00 62.26 C +ANISOU 287 CE2 TYR A 38 8928 7946 6781 545 722 358 C +ATOM 288 CZ TYR A 38 -6.548 -11.837 -23.032 1.00 65.34 C +ANISOU 288 CZ TYR A 38 9221 8482 7122 529 494 291 C +ATOM 289 OH TYR A 38 -5.464 -11.963 -22.208 1.00 72.76 O +ANISOU 289 OH TYR A 38 10126 9640 7877 642 383 410 O +ATOM 290 N SER A 39 -12.264 -12.176 -23.765 1.00 51.04 N +ANISOU 290 N SER A 39 7503 6198 5691 202 1102 6 N +ATOM 291 CA SER A 39 -12.527 -12.977 -22.556 1.00 52.70 C +ANISOU 291 CA SER A 39 7828 6422 5770 296 1272 129 C +ATOM 292 C SER A 39 -12.586 -14.475 -22.933 1.00 54.61 C +ANISOU 292 C SER A 39 8121 6509 6118 281 1473 260 C +ATOM 293 O SER A 39 -11.697 -15.196 -22.537 1.00 53.05 O +ANISOU 293 O SER A 39 8000 6314 5842 404 1512 419 O +ATOM 294 CB SER A 39 -13.752 -12.480 -21.786 1.00 50.63 C +ANISOU 294 CB SER A 39 7578 6193 5466 287 1376 64 C +ATOM 295 OG SER A 39 -14.134 -13.447 -20.804 1.00 57.92 O +ANISOU 295 OG SER A 39 8608 7099 6297 364 1590 207 O +ATOM 296 N CYS A 40 -13.549 -14.932 -23.748 1.00 56.78 N +ANISOU 296 N CYS A 40 8345 6653 6573 127 1599 192 N +ATOM 297 CA CYS A 40 -13.634 -16.380 -24.053 1.00 57.29 C +ANISOU 297 CA CYS A 40 8484 6532 6749 80 1830 281 C +ATOM 298 C CYS A 40 -12.645 -16.882 -25.075 1.00 62.77 C +ANISOU 298 C CYS A 40 9192 7133 7523 67 1795 293 C +ATOM 299 O CYS A 40 -12.278 -18.037 -25.022 1.00 51.88 O +ANISOU 299 O CYS A 40 7920 5599 6191 114 1993 416 O +ATOM 300 CB CYS A 40 -15.040 -16.831 -24.469 1.00 62.61 C +ANISOU 300 CB CYS A 40 9100 7107 7580 -117 2004 185 C +ATOM 301 SG CYS A 40 -15.521 -16.463 -26.163 1.00 58.56 S +ANISOU 301 SG CYS A 40 8420 6610 7220 -350 1871 -25 S +ATOM 302 N ARG A 41 -12.233 -16.028 -26.016 1.00 58.00 N +ANISOU 302 N ARG A 41 8486 6605 6943 14 1575 175 N +ATOM 303 CA ARG A 41 -11.317 -16.429 -27.087 1.00 58.21 C +ANISOU 303 CA ARG A 41 8521 6552 7044 -1 1548 175 C +ATOM 304 C ARG A 41 -11.821 -17.585 -27.916 1.00 57.79 C +ANISOU 304 C ARG A 41 8520 6302 7133 -157 1766 115 C +ATOM 305 O ARG A 41 -10.986 -18.264 -28.554 1.00 62.26 O +ANISOU 305 O ARG A 41 9155 6747 7753 -132 1841 152 O +ATOM 306 CB ARG A 41 -9.896 -16.763 -26.569 1.00 63.76 C +ANISOU 306 CB ARG A 41 9289 7271 7664 206 1533 363 C +ATOM 307 CG ARG A 41 -9.186 -15.605 -25.856 1.00 71.18 C +ANISOU 307 CG ARG A 41 10160 8433 8450 322 1286 387 C +ATOM 308 CD ARG A 41 -7.710 -15.932 -25.568 1.00 80.04 C +ANISOU 308 CD ARG A 41 11287 9622 9501 504 1238 570 C +ATOM 309 NE ARG A 41 -6.866 -15.741 -26.762 1.00 74.82 N +ANISOU 309 NE ARG A 41 10554 8929 8944 472 1145 532 N +ATOM 310 CZ ARG A 41 -6.356 -14.582 -27.159 1.00 78.00 C +ANISOU 310 CZ ARG A 41 10841 9455 9338 432 915 438 C +ATOM 311 NH1 ARG A 41 -6.552 -13.467 -26.465 1.00 81.90 N +ANISOU 311 NH1 ARG A 41 11285 10102 9732 410 749 350 N +ATOM 312 NH2 ARG A 41 -5.644 -14.532 -28.265 1.00 86.15 N +ANISOU 312 NH2 ARG A 41 11819 10442 10471 411 877 426 N +ATOM 313 N ALA A 42 -13.150 -17.769 -27.971 1.00 49.81 N +ANISOU 313 N ALA A 42 7468 5266 6189 -330 1868 7 N +ATOM 314 CA ALA A 42 -13.768 -18.969 -28.558 1.00 57.96 C +ANISOU 314 CA ALA A 42 8557 6104 7358 -524 2112 -75 C +ATOM 315 C ALA A 42 -14.982 -18.639 -29.396 1.00 57.37 C +ANISOU 315 C ALA A 42 8326 6129 7343 -777 2047 -282 C +ATOM 316 O ALA A 42 -15.740 -19.526 -29.769 1.00 64.20 O +ANISOU 316 O ALA A 42 9200 6877 8312 -990 2234 -389 O +ATOM 317 CB ALA A 42 -14.200 -19.960 -27.458 1.00 56.47 C +ANISOU 317 CB ALA A 42 8492 5754 7210 -482 2407 58 C +ATOM 318 N GLY A 43 -15.231 -17.380 -29.635 1.00 52.54 N +ANISOU 318 N GLY A 43 7557 5735 6668 -759 1799 -332 N +ATOM 319 CA GLY A 43 -16.309 -17.040 -30.539 1.00 57.00 C +ANISOU 319 CA GLY A 43 7941 6441 7273 -969 1718 -492 C +ATOM 320 C GLY A 43 -17.684 -17.010 -29.934 1.00 58.47 C +ANISOU 320 C GLY A 43 8011 6695 7510 -1063 1807 -511 C +ATOM 321 O GLY A 43 -18.693 -16.858 -30.667 1.00 64.87 O +ANISOU 321 O GLY A 43 8633 7651 8361 -1255 1754 -633 O +ATOM 322 N SER A 44 -17.753 -17.088 -28.605 1.00 57.15 N +ANISOU 322 N SER A 44 7930 6459 7323 -922 1931 -379 N +ATOM 323 CA SER A 44 -19.057 -17.205 -27.927 1.00 59.58 C +ANISOU 323 CA SER A 44 8144 6800 7692 -1003 2076 -376 C +ATOM 324 C SER A 44 -19.354 -16.159 -26.851 1.00 51.98 C +ANISOU 324 C SER A 44 7145 5959 6646 -810 2021 -281 C +ATOM 325 O SER A 44 -20.144 -16.385 -25.952 1.00 58.60 O +ANISOU 325 O SER A 44 7978 6778 7507 -803 2197 -224 O +ATOM 326 CB SER A 44 -19.181 -18.630 -27.398 1.00 63.12 C +ANISOU 326 CB SER A 44 8744 7008 8228 -1080 2393 -327 C +ATOM 327 OG SER A 44 -17.989 -18.942 -26.691 1.00 75.47 O +ANISOU 327 OG SER A 44 10522 8441 9708 -852 2451 -164 O +ATOM 328 N CYS A 45 -18.785 -14.973 -26.981 1.00 51.65 N +ANISOU 328 N CYS A 45 7072 6035 6515 -668 1796 -279 N +ATOM 329 CA CYS A 45 -19.057 -13.886 -26.059 1.00 48.70 C +ANISOU 329 CA CYS A 45 6677 5758 6066 -505 1753 -233 C +ATOM 330 C CYS A 45 -18.893 -12.526 -26.780 1.00 51.12 C +ANISOU 330 C CYS A 45 6860 6197 6366 -453 1521 -288 C +ATOM 331 O CYS A 45 -18.542 -12.469 -27.980 1.00 50.80 O +ANISOU 331 O CYS A 45 6749 6191 6360 -532 1388 -341 O +ATOM 332 CB CYS A 45 -18.171 -13.989 -24.805 1.00 50.90 C +ANISOU 332 CB CYS A 45 7166 5974 6198 -316 1803 -126 C +ATOM 333 SG CYS A 45 -16.566 -13.180 -24.911 1.00 53.21 S +ANISOU 333 SG CYS A 45 7542 6307 6366 -170 1556 -124 S +ATOM 334 N SER A 46 -19.167 -11.439 -26.041 1.00 49.49 N +ANISOU 334 N SER A 46 6640 6051 6114 -315 1503 -272 N +ATOM 335 CA SER A 46 -19.261 -10.117 -26.614 1.00 49.31 C +ANISOU 335 CA SER A 46 6494 6118 6122 -255 1356 -304 C +ATOM 336 C SER A 46 -17.941 -9.369 -26.532 1.00 51.44 C +ANISOU 336 C SER A 46 6888 6345 6311 -146 1208 -320 C +ATOM 337 O SER A 46 -17.854 -8.268 -27.057 1.00 46.10 O +ANISOU 337 O SER A 46 6135 5703 5678 -96 1103 -340 O +ATOM 338 CB SER A 46 -20.298 -9.307 -25.871 1.00 50.14 C +ANISOU 338 CB SER A 46 6525 6274 6249 -163 1462 -287 C +ATOM 339 OG SER A 46 -19.973 -9.287 -24.483 1.00 49.91 O +ANISOU 339 OG SER A 46 6691 6179 6094 -53 1563 -278 O +ATOM 340 N SER A 47 -16.939 -9.950 -25.880 1.00 47.00 N +ANISOU 340 N SER A 47 6498 5716 5641 -106 1210 -297 N +ATOM 341 CA SER A 47 -15.839 -9.148 -25.341 1.00 48.40 C +ANISOU 341 CA SER A 47 6782 5891 5713 -1 1093 -321 C +ATOM 342 C SER A 47 -14.884 -8.548 -26.378 1.00 50.48 C +ANISOU 342 C SER A 47 6998 6152 6030 -15 913 -348 C +ATOM 343 O SER A 47 -14.433 -7.391 -26.220 1.00 42.86 O +ANISOU 343 O SER A 47 6043 5186 5055 37 827 -403 O +ATOM 344 CB SER A 47 -15.052 -9.964 -24.335 1.00 48.69 C +ANISOU 344 CB SER A 47 6981 5919 5599 58 1134 -259 C +ATOM 345 OG SER A 47 -14.042 -9.148 -23.822 1.00 52.57 O +ANISOU 345 OG SER A 47 7538 6457 5976 130 999 -303 O +ATOM 346 N CYS A 48 -14.586 -9.312 -27.432 1.00 46.30 N +ANISOU 346 N CYS A 48 6426 5606 5560 -94 881 -320 N +ATOM 347 CA CYS A 48 -13.615 -8.899 -28.445 1.00 43.55 C +ANISOU 347 CA CYS A 48 6042 5255 5251 -102 736 -325 C +ATOM 348 C CYS A 48 -14.282 -8.264 -29.667 1.00 48.19 C +ANISOU 348 C CYS A 48 6472 5897 5938 -148 687 -339 C +ATOM 349 O CYS A 48 -13.664 -8.163 -30.727 1.00 52.68 O +ANISOU 349 O CYS A 48 7001 6475 6538 -171 598 -328 O +ATOM 350 CB CYS A 48 -12.855 -10.140 -28.938 1.00 45.20 C +ANISOU 350 CB CYS A 48 6309 5413 5450 -145 755 -280 C +ATOM 351 SG CYS A 48 -13.936 -11.252 -29.869 1.00 49.74 S +ANISOU 351 SG CYS A 48 6821 5979 6098 -304 875 -312 S +ATOM 352 N ALA A 49 -15.536 -7.842 -29.543 1.00 49.80 N +ANISOU 352 N ALA A 49 6575 6158 6186 -145 751 -344 N +ATOM 353 CA ALA A 49 -16.294 -7.449 -30.708 1.00 48.00 C +ANISOU 353 CA ALA A 49 6167 6039 6032 -181 710 -321 C +ATOM 354 C ALA A 49 -15.698 -6.209 -31.365 1.00 47.62 C +ANISOU 354 C ALA A 49 6079 5983 6030 -94 608 -287 C +ATOM 355 O ALA A 49 -15.183 -5.313 -30.693 1.00 45.45 O +ANISOU 355 O ALA A 49 5885 5614 5769 -6 608 -304 O +ATOM 356 CB ALA A 49 -17.720 -7.170 -30.327 1.00 44.89 C +ANISOU 356 CB ALA A 49 5646 5725 5684 -164 808 -302 C +ATOM 357 N GLY A 50 -15.818 -6.151 -32.678 1.00 48.69 N +ANISOU 357 N GLY A 50 6091 6224 6184 -128 536 -244 N +ATOM 358 CA GLY A 50 -15.449 -4.952 -33.442 1.00 49.68 C +ANISOU 358 CA GLY A 50 6154 6355 6367 -31 471 -170 C +ATOM 359 C GLY A 50 -16.413 -4.732 -34.592 1.00 50.54 C +ANISOU 359 C GLY A 50 6054 6667 6481 -27 438 -81 C +ATOM 360 O GLY A 50 -17.402 -5.446 -34.760 1.00 51.08 O +ANISOU 360 O GLY A 50 6008 6888 6512 -119 451 -99 O +ATOM 361 N LYS A 51 -16.125 -3.748 -35.412 1.00 53.55 N +ANISOU 361 N LYS A 51 6371 7070 6904 74 397 23 N +ATOM 362 CA LYS A 51 -16.949 -3.502 -36.568 1.00 53.87 C +ANISOU 362 CA LYS A 51 6201 7352 6915 104 349 142 C +ATOM 363 C LYS A 51 -16.099 -3.324 -37.812 1.00 52.01 C +ANISOU 363 C LYS A 51 5967 7166 6626 116 266 208 C +ATOM 364 O LYS A 51 -15.259 -2.429 -37.884 1.00 49.83 O +ANISOU 364 O LYS A 51 5763 6736 6431 222 288 275 O +ATOM 365 CB LYS A 51 -17.819 -2.272 -36.354 1.00 55.11 C +ANISOU 365 CB LYS A 51 6228 7529 7182 289 432 285 C +ATOM 366 CG LYS A 51 -19.060 -2.302 -37.241 1.00 69.25 C +ANISOU 366 CG LYS A 51 7743 9649 8918 311 386 414 C +ATOM 367 CD LYS A 51 -19.994 -1.116 -37.036 1.00 78.14 C +ANISOU 367 CD LYS A 51 8713 10807 10169 534 496 599 C +ATOM 368 CE LYS A 51 -19.697 -0.098 -38.130 1.00 91.14 C +ANISOU 368 CE LYS A 51 10279 12512 11835 709 478 813 C +ATOM 369 NZ LYS A 51 -20.322 1.238 -37.924 1.00 98.12 N +ANISOU 369 NZ LYS A 51 11067 13328 12884 974 639 1022 N +ATOM 370 N VAL A 52 -16.371 -4.149 -38.805 1.00 56.50 N +ANISOU 370 N VAL A 52 6451 7958 7057 -1 184 184 N +ATOM 371 CA VAL A 52 -15.743 -4.044 -40.096 1.00 53.02 C +ANISOU 371 CA VAL A 52 5995 7623 6524 10 113 251 C +ATOM 372 C VAL A 52 -16.271 -2.823 -40.812 1.00 55.66 C +ANISOU 372 C VAL A 52 6153 8116 6878 198 104 478 C +ATOM 373 O VAL A 52 -17.446 -2.763 -41.107 1.00 57.54 O +ANISOU 373 O VAL A 52 6184 8614 7061 218 71 553 O +ATOM 374 CB VAL A 52 -16.050 -5.263 -40.957 1.00 52.46 C +ANISOU 374 CB VAL A 52 5882 7779 6271 -184 41 135 C +ATOM 375 CG1 VAL A 52 -15.519 -5.033 -42.382 1.00 54.82 C +ANISOU 375 CG1 VAL A 52 6153 8239 6436 -149 -26 221 C +ATOM 376 CG2 VAL A 52 -15.383 -6.462 -40.332 1.00 50.36 C +ANISOU 376 CG2 VAL A 52 5817 7306 6010 -339 95 -55 C +ATOM 377 N VAL A 53 -15.394 -1.848 -41.054 1.00 54.66 N +ANISOU 377 N VAL A 53 6097 7828 6843 341 150 599 N +ATOM 378 CA VAL A 53 -15.763 -0.629 -41.772 1.00 62.36 C +ANISOU 378 CA VAL A 53 6930 8905 7859 554 184 855 C +ATOM 379 C VAL A 53 -15.275 -0.645 -43.240 1.00 58.73 C +ANISOU 379 C VAL A 53 6429 8643 7241 577 116 972 C +ATOM 380 O VAL A 53 -15.785 0.085 -44.048 1.00 58.59 O +ANISOU 380 O VAL A 53 6253 8828 7179 741 116 1203 O +ATOM 381 CB VAL A 53 -15.351 0.680 -41.005 1.00 65.49 C +ANISOU 381 CB VAL A 53 7415 8968 8500 719 338 940 C +ATOM 382 CG1 VAL A 53 -15.576 0.504 -39.522 1.00 72.86 C +ANISOU 382 CG1 VAL A 53 8446 9701 9533 655 398 764 C +ATOM 383 CG2 VAL A 53 -13.917 1.090 -41.248 1.00 68.64 C +ANISOU 383 CG2 VAL A 53 7968 9134 8977 721 376 943 C +ATOM 384 N SER A 54 -14.348 -1.525 -43.591 1.00 53.74 N +ANISOU 384 N SER A 54 5935 7975 6509 426 68 825 N +ATOM 385 CA SER A 54 -13.884 -1.675 -44.972 1.00 55.87 C +ANISOU 385 CA SER A 54 6190 8441 6597 431 18 904 C +ATOM 386 C SER A 54 -13.173 -3.046 -45.081 1.00 56.25 C +ANISOU 386 C SER A 54 6394 8450 6527 213 -15 660 C +ATOM 387 O SER A 54 -12.486 -3.512 -44.129 1.00 49.66 O +ANISOU 387 O SER A 54 5714 7335 5817 133 33 511 O +ATOM 388 CB SER A 54 -12.991 -0.455 -45.367 1.00 56.61 C +ANISOU 388 CB SER A 54 6326 8357 6824 625 121 1123 C +ATOM 389 OG SER A 54 -12.138 -0.710 -46.445 1.00 63.73 O +ANISOU 389 OG SER A 54 7288 9336 7589 611 112 1159 O +ATOM 390 N GLY A 55 -13.389 -3.710 -46.217 1.00 53.71 N +ANISOU 390 N GLY A 55 6028 8423 5956 121 -89 620 N +ATOM 391 CA GLY A 55 -12.890 -5.055 -46.464 1.00 54.03 C +ANISOU 391 CA GLY A 55 6214 8444 5869 -87 -89 381 C +ATOM 392 C GLY A 55 -13.780 -6.179 -45.936 1.00 56.10 C +ANISOU 392 C GLY A 55 6459 8774 6082 -306 -121 151 C +ATOM 393 O GLY A 55 -14.982 -5.983 -45.681 1.00 60.55 O +ANISOU 393 O GLY A 55 6840 9527 6637 -318 -183 180 O +ATOM 394 N SER A 56 -13.181 -7.362 -45.781 1.00 52.30 N +ANISOU 394 N SER A 56 6161 8128 5583 -472 -54 -60 N +ATOM 395 CA SER A 56 -13.909 -8.555 -45.414 1.00 56.19 C +ANISOU 395 CA SER A 56 6669 8647 6032 -704 -41 -291 C +ATOM 396 C SER A 56 -13.104 -9.443 -44.480 1.00 53.82 C +ANISOU 396 C SER A 56 6589 7981 5876 -764 94 -420 C +ATOM 397 O SER A 56 -11.877 -9.347 -44.370 1.00 54.78 O +ANISOU 397 O SER A 56 6852 7882 6078 -658 162 -364 O +ATOM 398 CB SER A 56 -14.330 -9.330 -46.692 1.00 60.27 C +ANISOU 398 CB SER A 56 7153 9473 6272 -904 -92 -449 C +ATOM 399 OG SER A 56 -13.185 -9.640 -47.492 1.00 64.49 O +ANISOU 399 OG SER A 56 7867 9923 6713 -890 -21 -484 O +ATOM 400 N VAL A 57 -13.818 -10.317 -43.788 1.00 57.62 N +ANISOU 400 N VAL A 57 7081 8413 6396 -929 142 -574 N +ATOM 401 CA VAL A 57 -13.221 -11.309 -42.892 1.00 53.60 C +ANISOU 401 CA VAL A 57 6773 7581 6008 -986 293 -680 C +ATOM 402 C VAL A 57 -13.972 -12.587 -43.112 1.00 55.21 C +ANISOU 402 C VAL A 57 7008 7830 6138 -1256 368 -912 C +ATOM 403 O VAL A 57 -15.069 -12.588 -43.684 1.00 53.95 O +ANISOU 403 O VAL A 57 6676 7964 5858 -1404 275 -989 O +ATOM 404 CB VAL A 57 -13.373 -10.956 -41.381 1.00 57.18 C +ANISOU 404 CB VAL A 57 7224 7857 6644 -880 320 -596 C +ATOM 405 CG1 VAL A 57 -12.463 -9.803 -41.015 1.00 52.19 C +ANISOU 405 CG1 VAL A 57 6602 7118 6107 -653 277 -417 C +ATOM 406 CG2 VAL A 57 -14.834 -10.627 -41.047 1.00 53.61 C +ANISOU 406 CG2 VAL A 57 6573 7599 6197 -936 258 -594 C +ATOM 407 N ASP A 58 -13.366 -13.666 -42.641 1.00 55.82 N +ANISOU 407 N ASP A 58 7294 7617 6296 -1318 547 -1013 N +ATOM 408 CA ASP A 58 -13.996 -14.957 -42.561 1.00 58.46 C +ANISOU 408 CA ASP A 58 7701 7878 6631 -1574 687 -1233 C +ATOM 409 C ASP A 58 -14.136 -15.223 -41.085 1.00 55.65 C +ANISOU 409 C ASP A 58 7395 7287 6461 -1515 794 -1166 C +ATOM 410 O ASP A 58 -13.156 -15.457 -40.418 1.00 55.05 O +ANISOU 410 O ASP A 58 7478 6953 6484 -1367 903 -1074 O +ATOM 411 CB ASP A 58 -13.103 -16.016 -43.188 1.00 65.76 C +ANISOU 411 CB ASP A 58 8862 8605 7518 -1656 869 -1374 C +ATOM 412 CG ASP A 58 -13.609 -17.451 -42.970 1.00 72.39 C +ANISOU 412 CG ASP A 58 9833 9259 8413 -1919 1088 -1606 C +ATOM 413 OD1 ASP A 58 -14.654 -17.719 -42.304 1.00 72.82 O +ANISOU 413 OD1 ASP A 58 9792 9332 8542 -2058 1107 -1663 O +ATOM 414 OD2 ASP A 58 -12.932 -18.339 -43.523 1.00 80.41 O +ANISOU 414 OD2 ASP A 58 11056 10090 9406 -1990 1274 -1737 O +ATOM 415 N GLN A 59 -15.358 -15.182 -40.586 1.00 59.22 N +ANISOU 415 N GLN A 59 7695 7858 6947 -1623 763 -1198 N +ATOM 416 CA GLN A 59 -15.612 -15.422 -39.174 1.00 62.73 C +ANISOU 416 CA GLN A 59 8181 8107 7544 -1569 878 -1130 C +ATOM 417 C GLN A 59 -16.694 -16.457 -38.993 1.00 65.10 C +ANISOU 417 C GLN A 59 8454 8390 7889 -1842 1015 -1303 C +ATOM 418 O GLN A 59 -17.576 -16.295 -38.154 1.00 66.15 O +ANISOU 418 O GLN A 59 8471 8562 8101 -1853 1028 -1256 O +ATOM 419 CB GLN A 59 -16.011 -14.137 -38.463 1.00 57.25 C +ANISOU 419 CB GLN A 59 7325 7538 6889 -1378 738 -953 C +ATOM 420 CG GLN A 59 -17.246 -13.434 -39.016 1.00 55.97 C +ANISOU 420 CG GLN A 59 6886 7717 6661 -1449 585 -955 C +ATOM 421 CD GLN A 59 -17.652 -12.296 -38.096 1.00 62.04 C +ANISOU 421 CD GLN A 59 7537 8522 7511 -1245 528 -780 C +ATOM 422 OE1 GLN A 59 -18.210 -11.269 -38.534 1.00 66.81 O +ANISOU 422 OE1 GLN A 59 7938 9366 8079 -1159 394 -682 O +ATOM 423 NE2 GLN A 59 -17.359 -12.461 -36.800 1.00 56.51 N +ANISOU 423 NE2 GLN A 59 6972 7583 6913 -1150 646 -731 N +ATOM 424 N SER A 60 -16.585 -17.512 -39.786 1.00 64.01 N +ANISOU 424 N SER A 60 8432 8180 7707 -2067 1137 -1510 N +ATOM 425 CA SER A 60 -17.358 -18.738 -39.660 1.00 71.88 C +ANISOU 425 CA SER A 60 9472 9060 8776 -2367 1339 -1715 C +ATOM 426 C SER A 60 -17.042 -19.592 -38.399 1.00 69.57 C +ANISOU 426 C SER A 60 9386 8371 8673 -2297 1620 -1638 C +ATOM 427 O SER A 60 -17.817 -20.492 -38.073 1.00 71.72 O +ANISOU 427 O SER A 60 9674 8528 9048 -2526 1809 -1764 O +ATOM 428 CB SER A 60 -17.104 -19.609 -40.916 1.00 74.82 C +ANISOU 428 CB SER A 60 9970 9417 9042 -2615 1424 -1979 C +ATOM 429 OG SER A 60 -15.720 -19.921 -40.981 1.00 69.57 O +ANISOU 429 OG SER A 60 9563 8467 8400 -2430 1560 -1910 O +ATOM 430 N ASP A 61 -15.919 -19.358 -37.720 1.00 66.51 N +ANISOU 430 N ASP A 61 9149 7790 8330 -1996 1657 -1429 N +ATOM 431 CA ASP A 61 -15.690 -19.995 -36.412 1.00 71.53 C +ANISOU 431 CA ASP A 61 9937 8131 9109 -1878 1886 -1294 C +ATOM 432 C ASP A 61 -16.401 -19.243 -35.270 1.00 70.72 C +ANISOU 432 C ASP A 61 9687 8145 9037 -1762 1797 -1144 C +ATOM 433 O ASP A 61 -16.415 -19.738 -34.176 1.00 76.22 O +ANISOU 433 O ASP A 61 10486 8652 9822 -1683 1980 -1036 O +ATOM 434 CB ASP A 61 -14.215 -20.094 -36.049 1.00 71.97 C +ANISOU 434 CB ASP A 61 10185 7978 9182 -1596 1957 -1113 C +ATOM 435 CG ASP A 61 -13.386 -20.780 -37.089 1.00 73.12 C +ANISOU 435 CG ASP A 61 10490 7983 9309 -1651 2076 -1223 C +ATOM 436 OD1 ASP A 61 -13.929 -21.468 -37.992 1.00 83.53 O +ANISOU 436 OD1 ASP A 61 11838 9288 10611 -1938 2174 -1474 O +ATOM 437 OD2 ASP A 61 -12.154 -20.643 -36.976 1.00 81.02 O +ANISOU 437 OD2 ASP A 61 11586 8889 10308 -1407 2081 -1062 O +ATOM 438 N GLN A 62 -16.979 -18.058 -35.515 1.00 72.21 N +ANISOU 438 N GLN A 62 9647 8639 9149 -1733 1544 -1123 N +ATOM 439 CA GLN A 62 -17.756 -17.359 -34.476 1.00 67.75 C +ANISOU 439 CA GLN A 62 8946 8173 8619 -1633 1498 -1004 C +ATOM 440 C GLN A 62 -19.164 -17.942 -34.377 1.00 73.09 C +ANISOU 440 C GLN A 62 9484 8914 9371 -1894 1611 -1123 C +ATOM 441 O GLN A 62 -19.705 -18.425 -35.366 1.00 70.89 O +ANISOU 441 O GLN A 62 9116 8743 9073 -2166 1602 -1315 O +ATOM 442 CB GLN A 62 -17.867 -15.838 -34.717 1.00 66.80 C +ANISOU 442 CB GLN A 62 8639 8319 8422 -1477 1233 -915 C +ATOM 443 CG GLN A 62 -19.034 -15.338 -35.614 1.00 67.21 C +ANISOU 443 CG GLN A 62 8412 8696 8428 -1635 1083 -998 C +ATOM 444 CD GLN A 62 -20.329 -14.964 -34.874 1.00 64.99 C +ANISOU 444 CD GLN A 62 7928 8548 8214 -1649 1104 -947 C +ATOM 445 OE1 GLN A 62 -20.304 -14.340 -33.806 1.00 71.34 O +ANISOU 445 OE1 GLN A 62 8759 9285 9059 -1444 1131 -808 O +ATOM 446 NE2 GLN A 62 -21.471 -15.281 -35.476 1.00 63.47 N +ANISOU 446 NE2 GLN A 62 7516 8576 8024 -1892 1085 -1063 N +ATOM 447 N SER A 63 -19.742 -17.884 -33.174 1.00 72.66 N +ANISOU 447 N SER A 63 9406 8808 9392 -1819 1719 -1013 N +ATOM 448 CA SER A 63 -21.142 -18.244 -32.958 1.00 72.40 C +ANISOU 448 CA SER A 63 9193 8866 9449 -2039 1821 -1088 C +ATOM 449 C SER A 63 -21.984 -17.121 -32.341 1.00 66.69 C +ANISOU 449 C SER A 63 8251 8365 8723 -1899 1711 -963 C +ATOM 450 O SER A 63 -23.178 -17.067 -32.599 1.00 77.64 O +ANISOU 450 O SER A 63 9385 9960 10154 -2074 1693 -1026 O +ATOM 451 CB SER A 63 -21.277 -19.527 -32.118 1.00 70.17 C +ANISOU 451 CB SER A 63 9088 8272 9301 -2138 2157 -1089 C +ATOM 452 OG SER A 63 -20.352 -19.523 -31.051 1.00 76.40 O +ANISOU 452 OG SER A 63 10101 8853 10075 -1847 2253 -890 O +ATOM 453 N PHE A 64 -21.393 -16.238 -31.540 1.00 58.38 N +ANISOU 453 N PHE A 64 7282 7276 7622 -1597 1650 -796 N +ATOM 454 CA PHE A 64 -22.194 -15.361 -30.713 1.00 54.39 C +ANISOU 454 CA PHE A 64 6633 6895 7136 -1461 1643 -686 C +ATOM 455 C PHE A 64 -23.087 -14.381 -31.501 1.00 58.70 C +ANISOU 455 C PHE A 64 6865 7765 7673 -1486 1455 -693 C +ATOM 456 O PHE A 64 -24.182 -14.086 -31.039 1.00 57.54 O +ANISOU 456 O PHE A 64 6527 7742 7591 -1488 1516 -644 O +ATOM 457 CB PHE A 64 -21.262 -14.595 -29.755 1.00 55.93 C +ANISOU 457 CB PHE A 64 7010 6983 7257 -1156 1611 -549 C +ATOM 458 CG PHE A 64 -21.972 -13.594 -28.871 1.00 56.33 C +ANISOU 458 CG PHE A 64 6960 7132 7311 -994 1624 -455 C +ATOM 459 CD1 PHE A 64 -22.478 -13.970 -27.623 1.00 51.74 C +ANISOU 459 CD1 PHE A 64 6445 6457 6754 -951 1839 -390 C +ATOM 460 CD2 PHE A 64 -22.149 -12.275 -29.292 1.00 59.73 C +ANISOU 460 CD2 PHE A 64 7237 7734 7723 -872 1452 -423 C +ATOM 461 CE1 PHE A 64 -23.090 -13.031 -26.810 1.00 57.92 C +ANISOU 461 CE1 PHE A 64 7159 7319 7527 -791 1874 -316 C +ATOM 462 CE2 PHE A 64 -22.810 -11.337 -28.484 1.00 60.57 C +ANISOU 462 CE2 PHE A 64 7268 7898 7848 -710 1505 -344 C +ATOM 463 CZ PHE A 64 -23.289 -11.715 -27.242 1.00 54.75 C +ANISOU 463 CZ PHE A 64 6607 7070 7122 -674 1715 -302 C +ATOM 464 N LEU A 65 -22.629 -13.842 -32.646 1.00 59.31 N +ANISOU 464 N LEU A 65 6879 7987 7667 -1474 1243 -724 N +ATOM 465 CA LEU A 65 -23.379 -12.775 -33.374 1.00 63.23 C +ANISOU 465 CA LEU A 65 7079 8808 8137 -1426 1064 -668 C +ATOM 466 C LEU A 65 -24.616 -13.283 -34.188 1.00 65.16 C +ANISOU 466 C LEU A 65 7020 9342 8393 -1708 1030 -770 C +ATOM 467 O LEU A 65 -24.516 -14.329 -34.834 1.00 64.66 O +ANISOU 467 O LEU A 65 7003 9259 8302 -1976 1052 -946 O +ATOM 468 CB LEU A 65 -22.421 -11.920 -34.276 1.00 63.03 C +ANISOU 468 CB LEU A 65 7095 8842 8010 -1279 864 -623 C +ATOM 469 CG LEU A 65 -21.294 -11.083 -33.600 1.00 62.01 C +ANISOU 469 CG LEU A 65 7179 8506 7874 -1004 852 -518 C +ATOM 470 CD1 LEU A 65 -20.274 -10.486 -34.575 1.00 60.47 C +ANISOU 470 CD1 LEU A 65 7035 8338 7604 -917 691 -493 C +ATOM 471 CD2 LEU A 65 -21.842 -9.965 -32.731 1.00 60.62 C +ANISOU 471 CD2 LEU A 65 6923 8352 7758 -795 888 -391 C +ATOM 472 N ASP A 66 -25.764 -12.554 -34.051 1.00 69.31 N +ANISOU 472 N ASP A 66 7243 10123 8968 -1644 999 -661 N +ATOM 473 CA ASP A 66 -27.047 -12.615 -34.848 1.00 72.82 C +ANISOU 473 CA ASP A 66 7291 10968 9408 -1843 905 -692 C +ATOM 474 C ASP A 66 -26.639 -12.271 -36.317 1.00 77.46 C +ANISOU 474 C ASP A 66 7794 11812 9825 -1871 656 -723 C +ATOM 475 O ASP A 66 -25.716 -11.438 -36.541 1.00 65.69 O +ANISOU 475 O ASP A 66 6447 10241 8269 -1624 566 -617 O +ATOM 476 CB ASP A 66 -28.090 -11.511 -34.364 1.00 77.64 C +ANISOU 476 CB ASP A 66 7609 11789 10101 -1619 914 -476 C +ATOM 477 CG ASP A 66 -29.226 -12.030 -33.407 1.00 93.62 C +ANISOU 477 CG ASP A 66 9481 13808 12279 -1733 1126 -471 C +ATOM 478 OD1 ASP A 66 -29.080 -13.108 -32.793 1.00106.10 O +ANISOU 478 OD1 ASP A 66 11255 15134 13923 -1914 1308 -596 O +ATOM 479 OD2 ASP A 66 -30.299 -11.343 -33.266 1.00 93.76 O +ANISOU 479 OD2 ASP A 66 9173 14081 12368 -1624 1134 -319 O +ATOM 480 N ASP A 67 -27.292 -12.872 -37.323 1.00 79.83 N +ANISOU 480 N ASP A 67 7864 12428 10039 -2173 549 -870 N +ATOM 481 CA ASP A 67 -26.991 -12.525 -38.711 1.00 83.48 C +ANISOU 481 CA ASP A 67 8232 13188 10299 -2190 314 -888 C +ATOM 482 C ASP A 67 -27.305 -11.060 -38.958 1.00 81.61 C +ANISOU 482 C ASP A 67 7760 13217 10028 -1857 174 -603 C +ATOM 483 O ASP A 67 -26.634 -10.428 -39.777 1.00 81.48 O +ANISOU 483 O ASP A 67 7791 13288 9878 -1705 34 -521 O +ATOM 484 CB ASP A 67 -27.780 -13.356 -39.743 1.00 99.82 C +ANISOU 484 CB ASP A 67 10050 15632 12243 -2589 204 -1107 C +ATOM 485 CG ASP A 67 -27.453 -14.842 -39.701 1.00102.82 C +ANISOU 485 CG ASP A 67 10677 15732 12655 -2952 367 -1422 C +ATOM 486 OD1 ASP A 67 -26.299 -15.215 -39.353 1.00102.93 O +ANISOU 486 OD1 ASP A 67 11082 15321 12706 -2872 499 -1465 O +ATOM 487 OD2 ASP A 67 -28.380 -15.622 -40.029 1.00 94.69 O +ANISOU 487 OD2 ASP A 67 9430 14922 11623 -3321 370 -1619 O +ATOM 488 N GLU A 68 -28.313 -10.508 -38.287 1.00 76.33 N +ANISOU 488 N GLU A 68 6842 12669 9490 -1729 236 -436 N +ATOM 489 CA GLU A 68 -28.488 -9.053 -38.331 1.00 87.60 C +ANISOU 489 CA GLU A 68 8114 14233 10935 -1350 179 -137 C +ATOM 490 C GLU A 68 -27.140 -8.357 -37.951 1.00 89.20 C +ANISOU 490 C GLU A 68 8695 14033 11161 -1073 233 -65 C +ATOM 491 O GLU A 68 -26.669 -7.443 -38.628 1.00 88.13 O +ANISOU 491 O GLU A 68 8554 13978 10954 -862 128 85 O +ATOM 492 CB GLU A 68 -29.608 -8.602 -37.395 1.00 95.60 C +ANISOU 492 CB GLU A 68 8892 15305 12126 -1215 319 23 C +ATOM 493 CG GLU A 68 -29.735 -7.087 -37.282 1.00104.83 C +ANISOU 493 CG GLU A 68 9958 16515 13354 -793 334 332 C +ATOM 494 CD GLU A 68 -30.926 -6.636 -36.439 1.00115.12 C +ANISOU 494 CD GLU A 68 11001 17904 14832 -647 495 501 C +ATOM 495 OE1 GLU A 68 -31.956 -7.348 -36.393 1.00115.20 O +ANISOU 495 OE1 GLU A 68 10727 18166 14878 -878 505 440 O +ATOM 496 OE2 GLU A 68 -30.828 -5.546 -35.827 1.00115.96 O +ANISOU 496 OE2 GLU A 68 11189 17821 15050 -303 630 690 O +ATOM 497 N GLN A 69 -26.519 -8.821 -36.871 1.00 84.99 N +ANISOU 497 N GLN A 69 8479 13084 10727 -1087 401 -169 N +ATOM 498 CA GLN A 69 -25.278 -8.246 -36.383 1.00 74.41 C +ANISOU 498 CA GLN A 69 7470 11389 9412 -867 450 -126 C +ATOM 499 C GLN A 69 -24.113 -8.417 -37.351 1.00 73.31 C +ANISOU 499 C GLN A 69 7506 11209 9139 -912 323 -199 C +ATOM 500 O GLN A 69 -23.352 -7.485 -37.533 1.00 68.06 O +ANISOU 500 O GLN A 69 6940 10450 8469 -692 283 -80 O +ATOM 501 CB GLN A 69 -24.929 -8.815 -34.993 1.00 71.55 C +ANISOU 501 CB GLN A 69 7378 10660 9148 -886 645 -216 C +ATOM 502 CG GLN A 69 -25.865 -8.310 -33.913 1.00 72.95 C +ANISOU 502 CG GLN A 69 7442 10823 9452 -746 799 -105 C +ATOM 503 CD GLN A 69 -25.579 -8.891 -32.535 1.00 72.43 C +ANISOU 503 CD GLN A 69 7636 10439 9442 -758 996 -178 C +ATOM 504 OE1 GLN A 69 -25.227 -10.079 -32.369 1.00 64.31 O +ANISOU 504 OE1 GLN A 69 6765 9275 8394 -961 1053 -316 O +ATOM 505 NE2 GLN A 69 -25.737 -8.050 -31.530 1.00 72.76 N +ANISOU 505 NE2 GLN A 69 7734 10360 9548 -530 1119 -79 N +ATOM 506 N ILE A 70 -23.969 -9.589 -37.964 1.00 78.29 N +ANISOU 506 N ILE A 70 8181 11890 9673 -1199 285 -397 N +ATOM 507 CA ILE A 70 -22.959 -9.783 -39.017 1.00 75.81 C +ANISOU 507 CA ILE A 70 8009 11579 9215 -1247 178 -469 C +ATOM 508 C ILE A 70 -23.247 -8.950 -40.279 1.00 80.31 C +ANISOU 508 C ILE A 70 8337 12536 9640 -1154 -9 -332 C +ATOM 509 O ILE A 70 -22.334 -8.336 -40.829 1.00 79.77 O +ANISOU 509 O ILE A 70 8384 12414 9511 -993 -67 -242 O +ATOM 510 CB ILE A 70 -22.818 -11.250 -39.409 1.00 73.74 C +ANISOU 510 CB ILE A 70 7859 11274 8884 -1583 218 -732 C +ATOM 511 CG1 ILE A 70 -22.302 -12.031 -38.193 1.00 70.17 C +ANISOU 511 CG1 ILE A 70 7687 10403 8571 -1612 426 -812 C +ATOM 512 CG2 ILE A 70 -21.890 -11.368 -40.629 1.00 69.89 C +ANISOU 512 CG2 ILE A 70 7488 10843 8223 -1620 113 -800 C +ATOM 513 CD1 ILE A 70 -22.178 -13.529 -38.421 1.00 73.86 C +ANISOU 513 CD1 ILE A 70 8298 10742 9024 -1925 541 -1055 C +ATOM 514 N GLY A 71 -24.501 -8.934 -40.720 1.00 80.29 N +ANISOU 514 N GLY A 71 7989 12934 9582 -1249 -96 -298 N +ATOM 515 CA GLY A 71 -24.945 -8.065 -41.782 1.00 84.25 C +ANISOU 515 CA GLY A 71 8211 13855 9944 -1113 -267 -106 C +ATOM 516 C GLY A 71 -24.627 -6.587 -41.543 1.00 90.55 C +ANISOU 516 C GLY A 71 9018 14542 10843 -709 -231 194 C +ATOM 517 O GLY A 71 -24.287 -5.858 -42.499 1.00 81.85 O +ANISOU 517 O GLY A 71 7861 13613 9622 -547 -332 358 O +ATOM 518 N GLU A 72 -24.732 -6.122 -40.290 1.00 85.84 N +ANISOU 518 N GLU A 72 8502 13652 10461 -547 -67 267 N +ATOM 519 CA GLU A 72 -24.363 -4.720 -39.956 1.00 84.90 C +ANISOU 519 CA GLU A 72 8443 13349 10466 -189 11 507 C +ATOM 520 C GLU A 72 -22.834 -4.496 -39.871 1.00 78.13 C +ANISOU 520 C GLU A 72 7942 12117 9627 -119 45 456 C +ATOM 521 O GLU A 72 -22.372 -3.347 -39.798 1.00 75.56 O +ANISOU 521 O GLU A 72 7680 11635 9392 134 104 627 O +ATOM 522 CB GLU A 72 -25.091 -4.227 -38.684 1.00 90.04 C +ANISOU 522 CB GLU A 72 9044 13847 11319 -41 188 589 C +ATOM 523 CG GLU A 72 -26.571 -3.883 -38.951 1.00104.52 C +ANISOU 523 CG GLU A 72 10456 16088 13168 32 166 776 C +ATOM 524 CD GLU A 72 -27.484 -3.868 -37.708 1.00115.41 C +ANISOU 524 CD GLU A 72 11754 17371 14724 75 350 790 C +ATOM 525 OE1 GLU A 72 -27.080 -4.369 -36.632 1.00119.16 O +ANISOU 525 OE1 GLU A 72 12496 17503 15276 -13 480 617 O +ATOM 526 OE2 GLU A 72 -28.638 -3.366 -37.807 1.00117.96 O +ANISOU 526 OE2 GLU A 72 11730 17986 15102 210 373 993 O +ATOM 527 N GLY A 73 -22.058 -5.585 -39.875 1.00 67.33 N +ANISOU 527 N GLY A 73 6793 10600 8189 -345 28 226 N +ATOM 528 CA GLY A 73 -20.599 -5.498 -39.918 1.00 67.28 C +ANISOU 528 CA GLY A 73 7077 10299 8185 -298 44 183 C +ATOM 529 C GLY A 73 -19.821 -5.908 -38.667 1.00 62.16 C +ANISOU 529 C GLY A 73 6708 9260 7648 -326 164 53 C +ATOM 530 O GLY A 73 -18.585 -5.771 -38.638 1.00 63.30 O +ANISOU 530 O GLY A 73 7062 9181 7806 -276 171 35 O +ATOM 531 N PHE A 74 -20.506 -6.407 -37.635 1.00 54.21 N +ANISOU 531 N PHE A 74 5695 8188 6714 -400 259 -21 N +ATOM 532 CA PHE A 74 -19.813 -6.733 -36.379 1.00 50.47 C +ANISOU 532 CA PHE A 74 5476 7384 6317 -394 373 -110 C +ATOM 533 C PHE A 74 -19.017 -7.976 -36.610 1.00 48.37 C +ANISOU 533 C PHE A 74 5385 7015 5978 -577 371 -263 C +ATOM 534 O PHE A 74 -19.389 -8.786 -37.447 1.00 48.97 O +ANISOU 534 O PHE A 74 5379 7259 5968 -764 327 -353 O +ATOM 535 CB PHE A 74 -20.762 -6.849 -35.179 1.00 51.93 C +ANISOU 535 CB PHE A 74 5616 7527 6587 -388 503 -119 C +ATOM 536 CG PHE A 74 -21.382 -5.561 -34.825 1.00 54.65 C +ANISOU 536 CG PHE A 74 5836 7903 7023 -170 553 31 C +ATOM 537 CD1 PHE A 74 -20.611 -4.556 -34.263 1.00 59.00 C +ANISOU 537 CD1 PHE A 74 6552 8226 7638 12 602 74 C +ATOM 538 CD2 PHE A 74 -22.705 -5.309 -35.097 1.00 62.03 C +ANISOU 538 CD2 PHE A 74 6482 9097 7988 -145 562 133 C +ATOM 539 CE1 PHE A 74 -21.141 -3.312 -33.970 1.00 61.30 C +ANISOU 539 CE1 PHE A 74 6759 8497 8034 221 689 205 C +ATOM 540 CE2 PHE A 74 -23.278 -4.074 -34.762 1.00 65.97 C +ANISOU 540 CE2 PHE A 74 6870 9599 8593 96 649 300 C +ATOM 541 CZ PHE A 74 -22.481 -3.064 -34.213 1.00 69.36 C +ANISOU 541 CZ PHE A 74 7503 9751 9097 283 726 331 C +ATOM 542 N VAL A 75 -17.889 -8.074 -35.901 1.00 48.27 N +ANISOU 542 N VAL A 75 5608 6737 5995 -517 420 -290 N +ATOM 543 CA VAL A 75 -16.947 -9.203 -35.999 1.00 47.38 C +ANISOU 543 CA VAL A 75 5685 6480 5837 -632 453 -395 C +ATOM 544 C VAL A 75 -16.430 -9.520 -34.615 1.00 49.15 C +ANISOU 544 C VAL A 75 6091 6473 6108 -575 558 -404 C +ATOM 545 O VAL A 75 -16.248 -8.629 -33.798 1.00 47.13 O +ANISOU 545 O VAL A 75 5866 6148 5892 -428 559 -343 O +ATOM 546 CB VAL A 75 -15.775 -8.834 -36.956 1.00 48.33 C +ANISOU 546 CB VAL A 75 5867 6583 5911 -571 365 -359 C +ATOM 547 CG1 VAL A 75 -15.079 -7.549 -36.507 1.00 49.98 C +ANISOU 547 CG1 VAL A 75 6112 6686 6192 -372 333 -248 C +ATOM 548 CG2 VAL A 75 -14.782 -9.929 -37.088 1.00 49.25 C +ANISOU 548 CG2 VAL A 75 6167 6549 5995 -653 422 -442 C +ATOM 549 N LEU A 76 -16.184 -10.794 -34.355 1.00 49.57 N +ANISOU 549 N LEU A 76 6273 6411 6149 -688 660 -479 N +ATOM 550 CA LEU A 76 -15.521 -11.198 -33.153 1.00 47.93 C +ANISOU 550 CA LEU A 76 6243 6013 5953 -611 755 -452 C +ATOM 551 C LEU A 76 -14.098 -11.431 -33.507 1.00 45.41 C +ANISOU 551 C LEU A 76 6054 5590 5609 -559 721 -432 C +ATOM 552 O LEU A 76 -13.751 -12.422 -34.211 1.00 46.04 O +ANISOU 552 O LEU A 76 6200 5615 5676 -659 783 -486 O +ATOM 553 CB LEU A 76 -16.177 -12.472 -32.551 1.00 49.85 C +ANISOU 553 CB LEU A 76 6545 6174 6220 -737 935 -501 C +ATOM 554 CG LEU A 76 -17.619 -12.228 -32.105 1.00 52.45 C +ANISOU 554 CG LEU A 76 6721 6616 6591 -787 985 -507 C +ATOM 555 CD1 LEU A 76 -18.258 -13.483 -31.561 1.00 56.78 C +ANISOU 555 CD1 LEU A 76 7318 7068 7185 -930 1185 -551 C +ATOM 556 CD2 LEU A 76 -17.640 -11.190 -31.039 1.00 52.12 C +ANISOU 556 CD2 LEU A 76 6691 6565 6545 -599 972 -426 C +ATOM 557 N THR A 77 -13.248 -10.565 -32.967 1.00 46.19 N +ANISOU 557 N THR A 77 6193 5650 5705 -409 646 -365 N +ATOM 558 CA THR A 77 -11.875 -10.505 -33.442 1.00 42.15 C +ANISOU 558 CA THR A 77 5743 5084 5186 -350 586 -327 C +ATOM 559 C THR A 77 -11.098 -11.716 -33.100 1.00 45.26 C +ANISOU 559 C THR A 77 6277 5354 5565 -343 692 -303 C +ATOM 560 O THR A 77 -10.095 -11.997 -33.772 1.00 50.56 O +ANISOU 560 O THR A 77 6987 5982 6241 -320 686 -277 O +ATOM 561 CB THR A 77 -11.139 -9.239 -32.928 1.00 47.57 C +ANISOU 561 CB THR A 77 6417 5768 5889 -225 479 -279 C +ATOM 562 OG1 THR A 77 -11.277 -9.041 -31.498 1.00 46.78 O +ANISOU 562 OG1 THR A 77 6374 5641 5757 -165 507 -279 O +ATOM 563 CG2 THR A 77 -11.677 -8.033 -33.637 1.00 44.69 C +ANISOU 563 CG2 THR A 77 5923 5486 5568 -210 405 -272 C +ATOM 564 N CYS A 78 -11.496 -12.435 -32.033 1.00 50.28 N +ANISOU 564 N CYS A 78 6990 5924 6188 -338 814 -286 N +ATOM 565 CA CYS A 78 -10.739 -13.646 -31.587 1.00 46.96 C +ANISOU 565 CA CYS A 78 6711 5367 5761 -289 955 -214 C +ATOM 566 C CYS A 78 -11.053 -14.787 -32.559 1.00 49.46 C +ANISOU 566 C CYS A 78 7079 5587 6126 -435 1104 -293 C +ATOM 567 O CYS A 78 -10.411 -15.828 -32.559 1.00 51.48 O +ANISOU 567 O CYS A 78 7458 5693 6407 -405 1257 -244 O +ATOM 568 CB CYS A 78 -11.178 -14.092 -30.182 1.00 53.40 C +ANISOU 568 CB CYS A 78 7600 6145 6541 -234 1071 -151 C +ATOM 569 SG CYS A 78 -12.881 -14.758 -30.242 1.00 51.94 S +ANISOU 569 SG CYS A 78 7387 5928 6417 -420 1238 -249 S +ATOM 570 N ALA A 79 -12.058 -14.598 -33.405 1.00 53.34 N +ANISOU 570 N ALA A 79 7469 6170 6626 -598 1068 -418 N +ATOM 571 CA ALA A 79 -12.515 -15.685 -34.236 1.00 55.83 C +ANISOU 571 CA ALA A 79 7829 6416 6967 -787 1210 -543 C +ATOM 572 C ALA A 79 -12.550 -15.316 -35.744 1.00 59.35 C +ANISOU 572 C ALA A 79 8188 7002 7360 -894 1092 -650 C +ATOM 573 O ALA A 79 -13.139 -16.061 -36.535 1.00 55.41 O +ANISOU 573 O ALA A 79 7693 6513 6847 -1099 1172 -802 O +ATOM 574 CB ALA A 79 -13.912 -16.109 -33.759 1.00 59.21 C +ANISOU 574 CB ALA A 79 8205 6858 7433 -940 1313 -616 C +ATOM 575 N ALA A 80 -11.913 -14.208 -36.131 1.00 51.54 N +ANISOU 575 N ALA A 80 7126 6121 6335 -767 917 -576 N +ATOM 576 CA ALA A 80 -12.025 -13.689 -37.496 1.00 52.60 C +ANISOU 576 CA ALA A 80 7161 6426 6398 -833 799 -635 C +ATOM 577 C ALA A 80 -10.641 -13.659 -38.187 1.00 52.00 C +ANISOU 577 C ALA A 80 7168 6282 6305 -734 797 -581 C +ATOM 578 O ALA A 80 -9.618 -13.161 -37.620 1.00 49.22 O +ANISOU 578 O ALA A 80 6840 5858 6002 -561 760 -450 O +ATOM 579 CB ALA A 80 -12.672 -12.314 -37.499 1.00 53.13 C +ANISOU 579 CB ALA A 80 7044 6690 6453 -769 627 -571 C +ATOM 580 N TYR A 81 -10.617 -14.269 -39.382 1.00 50.25 N +ANISOU 580 N TYR A 81 6991 6091 6011 -860 853 -698 N +ATOM 581 CA TYR A 81 -9.473 -14.232 -40.301 1.00 47.17 C +ANISOU 581 CA TYR A 81 6664 5673 5582 -786 868 -665 C +ATOM 582 C TYR A 81 -9.695 -13.111 -41.287 1.00 50.29 C +ANISOU 582 C TYR A 81 6913 6311 5882 -771 694 -634 C +ATOM 583 O TYR A 81 -10.787 -12.986 -41.832 1.00 51.07 O +ANISOU 583 O TYR A 81 6906 6613 5885 -903 620 -722 O +ATOM 584 CB TYR A 81 -9.426 -15.493 -41.146 1.00 51.08 C +ANISOU 584 CB TYR A 81 7306 6080 6021 -943 1048 -833 C +ATOM 585 CG TYR A 81 -9.189 -16.735 -40.354 1.00 58.36 C +ANISOU 585 CG TYR A 81 8398 6724 7050 -954 1282 -854 C +ATOM 586 CD1 TYR A 81 -8.089 -16.833 -39.537 1.00 55.81 C +ANISOU 586 CD1 TYR A 81 8143 6231 6829 -740 1353 -672 C +ATOM 587 CD2 TYR A 81 -10.088 -17.800 -40.389 1.00 63.94 C +ANISOU 587 CD2 TYR A 81 9183 7347 7763 -1179 1441 -1042 C +ATOM 588 CE1 TYR A 81 -7.853 -17.958 -38.801 1.00 58.92 C +ANISOU 588 CE1 TYR A 81 8687 6381 7317 -708 1583 -641 C +ATOM 589 CE2 TYR A 81 -9.854 -18.945 -39.642 1.00 66.35 C +ANISOU 589 CE2 TYR A 81 9659 7359 8190 -1168 1700 -1029 C +ATOM 590 CZ TYR A 81 -8.713 -19.009 -38.869 1.00 60.72 C +ANISOU 590 CZ TYR A 81 9018 6485 7566 -910 1772 -810 C +ATOM 591 OH TYR A 81 -8.409 -20.106 -38.119 1.00 67.42 O +ANISOU 591 OH TYR A 81 10026 7058 8530 -846 2038 -740 O +ATOM 592 N PRO A 82 -8.665 -12.297 -41.547 1.00 49.08 N +ANISOU 592 N PRO A 82 6740 6152 5756 -609 636 -494 N +ATOM 593 CA PRO A 82 -8.810 -11.345 -42.651 1.00 47.57 C +ANISOU 593 CA PRO A 82 6433 6172 5466 -585 518 -444 C +ATOM 594 C PRO A 82 -8.910 -12.091 -43.994 1.00 51.19 C +ANISOU 594 C PRO A 82 6956 6741 5751 -719 580 -581 C +ATOM 595 O PRO A 82 -8.241 -13.098 -44.143 1.00 50.40 O +ANISOU 595 O PRO A 82 7018 6474 5657 -755 739 -662 O +ATOM 596 CB PRO A 82 -7.518 -10.563 -42.588 1.00 45.77 C +ANISOU 596 CB PRO A 82 6205 5851 5335 -407 504 -279 C +ATOM 597 CG PRO A 82 -6.511 -11.495 -41.974 1.00 47.02 C +ANISOU 597 CG PRO A 82 6497 5788 5579 -368 638 -280 C +ATOM 598 CD PRO A 82 -7.288 -12.383 -41.033 1.00 48.95 C +ANISOU 598 CD PRO A 82 6803 5951 5844 -460 702 -380 C +ATOM 599 N THR A 83 -9.757 -11.627 -44.924 1.00 48.49 N +ANISOU 599 N THR A 83 6489 6685 5247 -788 466 -606 N +ATOM 600 CA THR A 83 -9.762 -12.153 -46.307 1.00 51.50 C +ANISOU 600 CA THR A 83 6925 7231 5411 -907 499 -734 C +ATOM 601 C THR A 83 -9.429 -11.095 -47.342 1.00 49.00 C +ANISOU 601 C THR A 83 6517 7124 4975 -771 406 -571 C +ATOM 602 O THR A 83 -9.557 -11.323 -48.533 1.00 50.94 O +ANISOU 602 O THR A 83 6777 7584 4992 -851 400 -650 O +ATOM 603 CB THR A 83 -11.157 -12.749 -46.647 1.00 56.46 C +ANISOU 603 CB THR A 83 7475 8093 5884 -1158 444 -940 C +ATOM 604 OG1 THR A 83 -12.178 -11.809 -46.291 1.00 57.08 O +ANISOU 604 OG1 THR A 83 7322 8384 5979 -1111 275 -821 O +ATOM 605 CG2 THR A 83 -11.377 -14.007 -45.846 1.00 57.41 C +ANISOU 605 CG2 THR A 83 7729 7967 6115 -1324 602 -1126 C +ATOM 606 N SER A 84 -9.123 -9.892 -46.868 1.00 49.80 N +ANISOU 606 N SER A 84 6516 7183 5220 -575 335 -345 N +ATOM 607 CA SER A 84 -8.642 -8.809 -47.689 1.00 51.09 C +ANISOU 607 CA SER A 84 6609 7464 5339 -413 295 -145 C +ATOM 608 C SER A 84 -8.017 -7.870 -46.668 1.00 49.54 C +ANISOU 608 C SER A 84 6376 7040 5405 -251 294 24 C +ATOM 609 O SER A 84 -8.128 -8.093 -45.490 1.00 47.99 O +ANISOU 609 O SER A 84 6201 6679 5354 -276 298 -28 O +ATOM 610 CB SER A 84 -9.795 -8.069 -48.389 1.00 56.08 C +ANISOU 610 CB SER A 84 7050 8454 5800 -400 154 -60 C +ATOM 611 OG SER A 84 -10.589 -7.330 -47.413 1.00 52.75 O +ANISOU 611 OG SER A 84 6487 8017 5536 -337 76 32 O +ATOM 612 N ASP A 85 -7.382 -6.806 -47.126 1.00 46.38 N +ANISOU 612 N ASP A 85 5924 6639 5057 -96 299 222 N +ATOM 613 CA ASP A 85 -6.983 -5.755 -46.253 1.00 49.05 C +ANISOU 613 CA ASP A 85 6206 6797 5631 21 291 358 C +ATOM 614 C ASP A 85 -8.286 -5.304 -45.638 1.00 50.62 C +ANISOU 614 C ASP A 85 6295 7088 5849 14 202 357 C +ATOM 615 O ASP A 85 -9.334 -5.212 -46.322 1.00 54.44 O +ANISOU 615 O ASP A 85 6675 7839 6170 0 136 381 O +ATOM 616 CB ASP A 85 -6.341 -4.609 -47.058 1.00 47.60 C +ANISOU 616 CB ASP A 85 5967 6628 5489 170 330 579 C +ATOM 617 CG ASP A 85 -4.900 -4.925 -47.559 1.00 52.73 C +ANISOU 617 CG ASP A 85 6707 7157 6169 197 442 609 C +ATOM 618 OD1 ASP A 85 -4.277 -5.936 -47.150 1.00 52.35 O +ANISOU 618 OD1 ASP A 85 6760 6983 6148 128 494 481 O +ATOM 619 OD2 ASP A 85 -4.368 -4.108 -48.369 1.00 56.01 O +ANISOU 619 OD2 ASP A 85 7082 7598 6598 307 501 791 O +ATOM 620 N VAL A 86 -8.255 -4.968 -44.377 1.00 45.98 N +ANISOU 620 N VAL A 86 5710 6311 5446 32 200 343 N +ATOM 621 CA VAL A 86 -9.522 -4.737 -43.682 1.00 45.59 C +ANISOU 621 CA VAL A 86 5573 6331 5415 18 147 316 C +ATOM 622 C VAL A 86 -9.338 -3.725 -42.597 1.00 43.07 C +ANISOU 622 C VAL A 86 5245 5812 5305 107 169 375 C +ATOM 623 O VAL A 86 -8.275 -3.619 -42.020 1.00 44.22 O +ANISOU 623 O VAL A 86 5470 5760 5572 112 201 355 O +ATOM 624 CB VAL A 86 -10.078 -6.072 -43.148 1.00 48.01 C +ANISOU 624 CB VAL A 86 5939 6654 5647 -143 144 117 C +ATOM 625 CG1 VAL A 86 -9.082 -6.710 -42.219 1.00 49.95 C +ANISOU 625 CG1 VAL A 86 6328 6652 5997 -170 206 38 C +ATOM 626 CG2 VAL A 86 -11.442 -5.939 -42.465 1.00 50.17 C +ANISOU 626 CG2 VAL A 86 6107 7020 5936 -171 105 89 C +ATOM 627 N THR A 87 -10.371 -2.925 -42.367 1.00 45.19 N +ANISOU 627 N THR A 87 5406 6148 5615 181 159 451 N +ATOM 628 CA THR A 87 -10.350 -1.923 -41.352 1.00 45.50 C +ANISOU 628 CA THR A 87 5452 5991 5845 259 209 481 C +ATOM 629 C THR A 87 -11.421 -2.288 -40.351 1.00 47.74 C +ANISOU 629 C THR A 87 5716 6302 6122 213 199 378 C +ATOM 630 O THR A 87 -12.526 -2.582 -40.730 1.00 47.10 O +ANISOU 630 O THR A 87 5523 6431 5940 201 166 397 O +ATOM 631 CB THR A 87 -10.656 -0.544 -41.917 1.00 50.80 C +ANISOU 631 CB THR A 87 6025 6671 6605 425 268 690 C +ATOM 632 OG1 THR A 87 -9.617 -0.209 -42.839 1.00 51.07 O +ANISOU 632 OG1 THR A 87 6082 6667 6653 467 301 799 O +ATOM 633 CG2 THR A 87 -10.675 0.502 -40.782 1.00 50.21 C +ANISOU 633 CG2 THR A 87 5986 6346 6744 486 359 679 C +ATOM 634 N ILE A 88 -11.062 -2.273 -39.075 1.00 47.12 N +ANISOU 634 N ILE A 88 5735 6028 6137 183 227 271 N +ATOM 635 CA ILE A 88 -11.915 -2.724 -38.016 1.00 47.67 C +ANISOU 635 CA ILE A 88 5818 6102 6192 138 240 168 C +ATOM 636 C ILE A 88 -11.927 -1.719 -36.867 1.00 42.11 C +ANISOU 636 C ILE A 88 5161 5214 5622 206 309 145 C +ATOM 637 O ILE A 88 -10.907 -1.494 -36.286 1.00 43.07 O +ANISOU 637 O ILE A 88 5383 5181 5801 181 309 80 O +ATOM 638 CB ILE A 88 -11.395 -4.068 -37.512 1.00 49.90 C +ANISOU 638 CB ILE A 88 6214 6349 6396 13 220 34 C +ATOM 639 CG1 ILE A 88 -11.587 -5.112 -38.628 1.00 49.65 C +ANISOU 639 CG1 ILE A 88 6153 6480 6231 -76 191 16 C +ATOM 640 CG2 ILE A 88 -12.108 -4.473 -36.212 1.00 51.61 C +ANISOU 640 CG2 ILE A 88 6470 6528 6608 -19 261 -58 C +ATOM 641 CD1 ILE A 88 -10.896 -6.432 -38.386 1.00 49.71 C +ANISOU 641 CD1 ILE A 88 6291 6410 6186 -176 218 -87 C +ATOM 642 N GLU A 89 -13.099 -1.193 -36.519 1.00 43.90 N +ANISOU 642 N GLU A 89 5312 5478 5890 282 372 184 N +ATOM 643 CA GLU A 89 -13.278 -0.421 -35.290 1.00 47.43 C +ANISOU 643 CA GLU A 89 5831 5749 6437 331 467 118 C +ATOM 644 C GLU A 89 -13.369 -1.368 -34.118 1.00 48.10 C +ANISOU 644 C GLU A 89 6014 5828 6434 235 456 -33 C +ATOM 645 O GLU A 89 -14.208 -2.238 -34.131 1.00 46.09 O +ANISOU 645 O GLU A 89 5699 5711 6099 192 450 -38 O +ATOM 646 CB GLU A 89 -14.570 0.378 -35.316 1.00 52.55 C +ANISOU 646 CB GLU A 89 6361 6442 7161 470 572 230 C +ATOM 647 CG GLU A 89 -14.633 1.492 -36.347 1.00 63.41 C +ANISOU 647 CG GLU A 89 7637 7813 8643 621 629 431 C +ATOM 648 CD GLU A 89 -15.842 2.407 -36.147 1.00 73.77 C +ANISOU 648 CD GLU A 89 8843 9123 10063 800 777 562 C +ATOM 649 OE1 GLU A 89 -16.733 2.070 -35.336 1.00 80.53 O +ANISOU 649 OE1 GLU A 89 9673 10027 10895 795 819 497 O +ATOM 650 OE2 GLU A 89 -15.887 3.472 -36.793 1.00 76.86 O +ANISOU 650 OE2 GLU A 89 9175 9453 10575 962 875 747 O +ATOM 651 N THR A 90 -12.531 -1.166 -33.102 1.00 44.70 N +ANISOU 651 N THR A 90 5722 5248 6013 199 462 -150 N +ATOM 652 CA THR A 90 -12.427 -2.084 -32.002 1.00 43.34 C +ANISOU 652 CA THR A 90 5650 5087 5727 129 448 -262 C +ATOM 653 C THR A 90 -13.337 -1.652 -30.827 1.00 47.39 C +ANISOU 653 C THR A 90 6210 5556 6240 178 561 -329 C +ATOM 654 O THR A 90 -13.940 -0.586 -30.855 1.00 46.89 O +ANISOU 654 O THR A 90 6109 5423 6283 268 659 -299 O +ATOM 655 CB THR A 90 -10.937 -2.167 -31.551 1.00 42.54 C +ANISOU 655 CB THR A 90 5651 4917 5596 69 368 -337 C +ATOM 656 OG1 THR A 90 -10.480 -0.884 -31.081 1.00 46.16 O +ANISOU 656 OG1 THR A 90 6155 5238 6145 78 400 -410 O +ATOM 657 CG2 THR A 90 -10.008 -2.601 -32.693 1.00 42.77 C +ANISOU 657 CG2 THR A 90 5633 4980 5636 38 287 -260 C +ATOM 658 N HIS A 91 -13.394 -2.452 -29.757 1.00 47.53 N +ANISOU 658 N HIS A 91 6321 5601 6138 136 573 -409 N +ATOM 659 CA HIS A 91 -14.121 -2.027 -28.523 1.00 50.54 C +ANISOU 659 CA HIS A 91 6775 5936 6488 184 696 -488 C +ATOM 660 C HIS A 91 -15.577 -1.689 -28.823 1.00 48.63 C +ANISOU 660 C HIS A 91 6407 5732 6336 269 818 -403 C +ATOM 661 O HIS A 91 -16.087 -0.683 -28.370 1.00 47.55 O +ANISOU 661 O HIS A 91 6289 5503 6273 358 945 -426 O +ATOM 662 CB HIS A 91 -13.449 -0.819 -27.839 1.00 53.09 C +ANISOU 662 CB HIS A 91 7212 6116 6841 192 723 -613 C +ATOM 663 CG HIS A 91 -12.037 -1.062 -27.377 1.00 53.84 C +ANISOU 663 CG HIS A 91 7400 6222 6835 99 592 -706 C +ATOM 664 ND1 HIS A 91 -10.998 -1.282 -28.245 1.00 52.95 N +ANISOU 664 ND1 HIS A 91 7230 6124 6762 50 467 -650 N +ATOM 665 CD2 HIS A 91 -11.494 -1.106 -26.132 1.00 56.62 C +ANISOU 665 CD2 HIS A 91 7877 6601 7033 54 565 -841 C +ATOM 666 CE1 HIS A 91 -9.869 -1.434 -27.568 1.00 52.38 C +ANISOU 666 CE1 HIS A 91 7223 6088 6589 -18 367 -735 C +ATOM 667 NE2 HIS A 91 -10.149 -1.348 -26.282 1.00 55.87 N +ANISOU 667 NE2 HIS A 91 7774 6556 6899 -20 411 -852 N +ATOM 668 N LYS A 92 -16.228 -2.521 -29.624 1.00 49.04 N +ANISOU 668 N LYS A 92 6318 5927 6386 236 787 -308 N +ATOM 669 CA LYS A 92 -17.650 -2.390 -29.844 1.00 50.58 C +ANISOU 669 CA LYS A 92 6348 6224 6644 297 884 -219 C +ATOM 670 C LYS A 92 -18.507 -3.326 -28.988 1.00 47.54 C +ANISOU 670 C LYS A 92 5964 5904 6193 250 976 -250 C +ATOM 671 O LYS A 92 -19.654 -3.503 -29.328 1.00 46.77 O +ANISOU 671 O LYS A 92 5686 5937 6144 257 1030 -172 O +ATOM 672 CB LYS A 92 -17.947 -2.701 -31.306 1.00 53.04 C +ANISOU 672 CB LYS A 92 6468 6705 6979 263 785 -107 C +ATOM 673 CG LYS A 92 -17.183 -1.817 -32.271 1.00 56.58 C +ANISOU 673 CG LYS A 92 6898 7107 7489 325 715 -36 C +ATOM 674 CD LYS A 92 -17.486 -0.352 -32.061 1.00 58.78 C +ANISOU 674 CD LYS A 92 7167 7262 7905 494 841 28 C +ATOM 675 CE LYS A 92 -18.585 0.113 -32.975 1.00 67.73 C +ANISOU 675 CE LYS A 92 8061 8564 9107 618 876 223 C +ATOM 676 NZ LYS A 92 -18.423 1.591 -33.141 1.00 70.69 N +ANISOU 676 NZ LYS A 92 8453 8766 9637 795 997 324 N +ATOM 677 N GLU A 93 -17.977 -3.940 -27.920 1.00 48.14 N +ANISOU 677 N GLU A 93 6220 5912 6155 204 998 -342 N +ATOM 678 CA GLU A 93 -18.834 -4.744 -26.990 1.00 51.58 C +ANISOU 678 CA GLU A 93 6674 6388 6535 183 1133 -348 C +ATOM 679 C GLU A 93 -20.133 -4.043 -26.630 1.00 53.52 C +ANISOU 679 C GLU A 93 6808 6660 6864 287 1296 -305 C +ATOM 680 O GLU A 93 -21.165 -4.650 -26.637 1.00 58.70 O +ANISOU 680 O GLU A 93 7330 7419 7554 250 1380 -249 O +ATOM 681 CB GLU A 93 -18.112 -5.078 -25.684 1.00 53.98 C +ANISOU 681 CB GLU A 93 7203 6619 6686 189 1166 -429 C +ATOM 682 CG GLU A 93 -18.999 -5.656 -24.586 1.00 58.34 C +ANISOU 682 CG GLU A 93 7798 7194 7171 208 1345 -418 C +ATOM 683 CD GLU A 93 -18.194 -6.346 -23.498 1.00 59.78 C +ANISOU 683 CD GLU A 93 8187 7360 7166 207 1352 -449 C +ATOM 684 OE1 GLU A 93 -17.556 -5.652 -22.668 1.00 64.37 O +ANISOU 684 OE1 GLU A 93 8915 7917 7626 267 1330 -538 O +ATOM 685 OE2 GLU A 93 -18.184 -7.597 -23.528 1.00 52.88 O +ANISOU 685 OE2 GLU A 93 7321 6504 6265 142 1381 -382 O +ATOM 686 N GLU A 94 -20.084 -2.768 -26.311 1.00 59.72 N +ANISOU 686 N GLU A 94 7647 7342 7699 413 1362 -331 N +ATOM 687 CA GLU A 94 -21.265 -2.097 -25.790 1.00 66.89 C +ANISOU 687 CA GLU A 94 8483 8242 8687 544 1565 -289 C +ATOM 688 C GLU A 94 -22.389 -2.061 -26.822 1.00 70.98 C +ANISOU 688 C GLU A 94 8697 8926 9344 581 1575 -124 C +ATOM 689 O GLU A 94 -23.572 -2.215 -26.481 1.00 76.40 O +ANISOU 689 O GLU A 94 9243 9704 10081 626 1721 -54 O +ATOM 690 CB GLU A 94 -20.887 -0.700 -25.315 1.00 74.24 C +ANISOU 690 CB GLU A 94 9560 8986 9660 665 1660 -370 C +ATOM 691 CG GLU A 94 -20.302 -0.701 -23.891 1.00 88.53 C +ANISOU 691 CG GLU A 94 11642 10696 11297 640 1723 -551 C +ATOM 692 CD GLU A 94 -21.356 -0.505 -22.760 1.00104.83 C +ANISOU 692 CD GLU A 94 13759 12740 13331 745 1979 -573 C +ATOM 693 OE1 GLU A 94 -20.982 0.024 -21.666 1.00102.89 O +ANISOU 693 OE1 GLU A 94 13744 12388 12962 767 2076 -740 O +ATOM 694 OE2 GLU A 94 -22.562 -0.867 -22.947 1.00106.29 O +ANISOU 694 OE2 GLU A 94 13749 13029 13605 797 2092 -434 O +ATOM 695 N ALA A 95 -22.007 -1.909 -28.091 1.00 68.41 N +ANISOU 695 N ALA A 95 8255 8672 9065 556 1414 -53 N +ATOM 696 CA ALA A 95 -22.956 -1.709 -29.182 1.00 66.09 C +ANISOU 696 CA ALA A 95 7658 8583 8869 608 1388 116 C +ATOM 697 C ALA A 95 -23.662 -2.996 -29.528 1.00 66.44 C +ANISOU 697 C ALA A 95 7523 8851 8867 435 1328 127 C +ATOM 698 O ALA A 95 -24.779 -2.940 -30.017 1.00 70.13 O +ANISOU 698 O ALA A 95 7710 9533 9402 465 1352 251 O +ATOM 699 CB ALA A 95 -22.245 -1.163 -30.422 1.00 66.10 C +ANISOU 699 CB ALA A 95 7613 8606 8896 636 1238 189 C +ATOM 700 N ILE A 96 -23.008 -4.142 -29.324 1.00 64.35 N +ANISOU 700 N ILE A 96 7407 8544 8498 253 1257 4 N +ATOM 701 CA ILE A 96 -23.650 -5.436 -29.582 1.00 69.19 C +ANISOU 701 CA ILE A 96 7886 9314 9088 56 1244 -17 C +ATOM 702 C ILE A 96 -24.290 -6.032 -28.311 1.00 75.00 C +ANISOU 702 C ILE A 96 8682 9987 9825 30 1440 -50 C +ATOM 703 O ILE A 96 -24.815 -7.127 -28.332 1.00 68.54 O +ANISOU 703 O ILE A 96 7782 9246 9011 -142 1479 -77 O +ATOM 704 CB ILE A 96 -22.743 -6.492 -30.279 1.00 69.26 C +ANISOU 704 CB ILE A 96 7991 9314 9009 -136 1099 -110 C +ATOM 705 CG1 ILE A 96 -21.443 -6.740 -29.528 1.00 72.23 C +ANISOU 705 CG1 ILE A 96 8677 9458 9305 -123 1101 -195 C +ATOM 706 CG2 ILE A 96 -22.463 -6.154 -31.716 1.00 67.05 C +ANISOU 706 CG2 ILE A 96 7581 9181 8715 -151 922 -66 C +ATOM 707 CD1 ILE A 96 -21.463 -8.031 -28.757 1.00 71.63 C +ANISOU 707 CD1 ILE A 96 8723 9309 9184 -245 1210 -253 C +ATOM 708 N MET A 97 -24.258 -5.310 -27.201 1.00 82.61 N +ANISOU 708 N MET A 97 9796 10805 10784 194 1584 -55 N +ATOM 709 CA MET A 97 -25.147 -5.636 -26.099 1.00 87.11 C +ANISOU 709 CA MET A 97 10364 11365 11366 215 1801 -42 C +ATOM 710 C MET A 97 -26.325 -4.668 -26.205 1.00 95.61 C +ANISOU 710 C MET A 97 11196 12551 12577 376 1919 80 C +ATOM 711 O MET A 97 -27.410 -5.101 -26.587 1.00 94.92 O +ANISOU 711 O MET A 97 10826 12664 12575 303 1954 163 O +ATOM 712 CB MET A 97 -24.435 -5.516 -24.761 1.00 78.92 C +ANISOU 712 CB MET A 97 9648 10134 10203 296 1904 -129 C +ATOM 713 CG MET A 97 -23.264 -6.468 -24.547 1.00 69.75 C +ANISOU 713 CG MET A 97 8709 8888 8904 181 1804 -207 C +ATOM 714 SD MET A 97 -22.432 -5.914 -23.038 1.00 73.23 S +ANISOU 714 SD MET A 97 9478 9183 9162 316 1882 -298 S +ATOM 715 CE MET A 97 -21.484 -7.324 -22.587 1.00 70.81 C +ANISOU 715 CE MET A 97 9359 8848 8698 213 1836 -305 C +ATOM 716 N LEU A 98 -26.060 -3.361 -25.977 1.00101.64 N +ANISOU 716 N LEU A 98 12055 13191 13371 583 1974 95 N +ATOM 717 CA LEU A 98 -27.090 -2.306 -25.727 1.00104.44 C +ANISOU 717 CA LEU A 98 12260 13563 13858 803 2175 216 C +ATOM 718 C LEU A 98 -27.843 -1.768 -26.965 1.00 99.32 C +ANISOU 718 C LEU A 98 11253 13135 13349 890 2107 411 C +ATOM 719 O LEU A 98 -27.308 -1.714 -28.071 1.00 91.78 O +ANISOU 719 O LEU A 98 10232 12263 12378 839 1898 441 O +ATOM 720 CB LEU A 98 -26.469 -1.140 -24.941 1.00 98.56 C +ANISOU 720 CB LEU A 98 11797 12554 13097 977 2303 129 C +TER 721 LEU A 98 +ATOM 722 N ALA B 2 -32.420 -24.500 -28.343 1.00 55.40 N +ANISOU 722 N ALA B 2 8165 6777 6106 -670 -1057 -125 N +ATOM 723 CA ALA B 2 -32.280 -23.018 -28.309 1.00 49.74 C +ANISOU 723 CA ALA B 2 7221 6215 5463 -512 -965 -28 C +ATOM 724 C ALA B 2 -30.968 -22.594 -27.656 1.00 49.10 C +ANISOU 724 C ALA B 2 7123 6073 5460 -324 -756 -44 C +ATOM 725 O ALA B 2 -30.475 -23.240 -26.699 1.00 48.76 O +ANISOU 725 O ALA B 2 7101 5932 5490 -308 -687 -81 O +ATOM 726 CB ALA B 2 -33.452 -22.398 -27.562 1.00 46.79 C +ANISOU 726 CB ALA B 2 6548 6005 5225 -580 -1026 92 C +ATOM 727 N THR B 3 -30.475 -21.450 -28.119 1.00 46.70 N +ANISOU 727 N THR B 3 6765 5842 5136 -203 -668 1 N +ATOM 728 CA THR B 3 -29.337 -20.783 -27.525 1.00 45.09 C +ANISOU 728 CA THR B 3 6493 5632 5006 -79 -488 8 C +ATOM 729 C THR B 3 -29.711 -19.332 -27.227 1.00 42.65 C +ANISOU 729 C THR B 3 6022 5395 4786 -46 -461 119 C +ATOM 730 O THR B 3 -30.163 -18.603 -28.102 1.00 49.78 O +ANISOU 730 O THR B 3 6948 6349 5617 -31 -515 186 O +ATOM 731 CB THR B 3 -28.152 -20.886 -28.525 1.00 48.51 C +ANISOU 731 CB THR B 3 7083 6061 5285 14 -383 -53 C +ATOM 732 OG1 THR B 3 -27.960 -22.272 -28.848 1.00 53.59 O +ANISOU 732 OG1 THR B 3 7925 6609 5827 21 -421 -170 O +ATOM 733 CG2 THR B 3 -26.865 -20.283 -27.959 1.00 46.16 C +ANISOU 733 CG2 THR B 3 6683 5804 5049 105 -200 -45 C +ATOM 734 N TYR B 4 -29.515 -18.935 -25.980 1.00 41.02 N +ANISOU 734 N TYR B 4 5685 5178 4720 -22 -381 136 N +ATOM 735 CA TYR B 4 -29.849 -17.616 -25.484 1.00 41.59 C +ANISOU 735 CA TYR B 4 5649 5273 4878 26 -345 216 C +ATOM 736 C TYR B 4 -28.595 -16.874 -25.182 1.00 37.08 C +ANISOU 736 C TYR B 4 5099 4664 4323 55 -200 205 C +ATOM 737 O TYR B 4 -27.552 -17.444 -25.084 1.00 42.67 O +ANISOU 737 O TYR B 4 5829 5376 5007 49 -128 142 O +ATOM 738 CB TYR B 4 -30.686 -17.729 -24.208 1.00 37.93 C +ANISOU 738 CB TYR B 4 5032 4839 4538 12 -366 231 C +ATOM 739 CG TYR B 4 -31.986 -18.470 -24.482 1.00 40.65 C +ANISOU 739 CG TYR B 4 5310 5268 4864 -68 -514 257 C +ATOM 740 CD1 TYR B 4 -32.953 -17.916 -25.304 1.00 41.09 C +ANISOU 740 CD1 TYR B 4 5314 5421 4875 -38 -621 333 C +ATOM 741 CD2 TYR B 4 -32.253 -19.691 -23.893 1.00 39.18 C +ANISOU 741 CD2 TYR B 4 5113 5074 4699 -188 -554 219 C +ATOM 742 CE1 TYR B 4 -34.139 -18.580 -25.546 1.00 44.88 C +ANISOU 742 CE1 TYR B 4 5690 6029 5332 -146 -773 362 C +ATOM 743 CE2 TYR B 4 -33.429 -20.383 -24.132 1.00 44.73 C +ANISOU 743 CE2 TYR B 4 5750 5865 5377 -328 -695 249 C +ATOM 744 CZ TYR B 4 -34.369 -19.827 -24.951 1.00 49.31 C +ANISOU 744 CZ TYR B 4 6235 6582 5915 -317 -807 316 C +ATOM 745 OH TYR B 4 -35.506 -20.526 -25.188 1.00 53.31 O +ANISOU 745 OH TYR B 4 6643 7219 6390 -490 -962 347 O +ATOM 746 N LYS B 5 -28.735 -15.589 -25.005 1.00 42.61 N +ANISOU 746 N LYS B 5 5794 5333 5063 87 -164 270 N +ATOM 747 CA LYS B 5 -27.647 -14.685 -24.656 1.00 46.72 C +ANISOU 747 CA LYS B 5 6346 5805 5598 57 -42 270 C +ATOM 748 C LYS B 5 -27.871 -14.311 -23.218 1.00 44.65 C +ANISOU 748 C LYS B 5 6004 5508 5453 71 -18 246 C +ATOM 749 O LYS B 5 -28.949 -13.910 -22.869 1.00 45.52 O +ANISOU 749 O LYS B 5 6085 5600 5610 146 -64 281 O +ATOM 750 CB LYS B 5 -27.735 -13.411 -25.451 1.00 51.37 C +ANISOU 750 CB LYS B 5 7063 6323 6130 68 -27 364 C +ATOM 751 CG LYS B 5 -27.674 -13.596 -26.941 1.00 58.63 C +ANISOU 751 CG LYS B 5 8089 7285 6902 63 -56 410 C +ATOM 752 CD LYS B 5 -26.289 -13.986 -27.387 1.00 70.28 C +ANISOU 752 CD LYS B 5 9582 8829 8291 -17 60 365 C +ATOM 753 CE LYS B 5 -26.281 -14.277 -28.899 1.00 79.59 C +ANISOU 753 CE LYS B 5 10887 10066 9288 -6 42 396 C +ATOM 754 NZ LYS B 5 -26.107 -13.052 -29.737 1.00 78.80 N +ANISOU 754 NZ LYS B 5 10935 9919 9086 -50 88 523 N +ATOM 755 N VAL B 6 -26.848 -14.482 -22.400 1.00 44.73 N +ANISOU 755 N VAL B 6 5968 5536 5490 12 52 185 N +ATOM 756 CA VAL B 6 -26.898 -14.160 -21.017 1.00 43.45 C +ANISOU 756 CA VAL B 6 5755 5350 5403 9 75 149 C +ATOM 757 C VAL B 6 -25.875 -13.071 -20.817 1.00 41.71 C +ANISOU 757 C VAL B 6 5600 5078 5168 -88 150 141 C +ATOM 758 O VAL B 6 -24.703 -13.264 -21.100 1.00 40.03 O +ANISOU 758 O VAL B 6 5351 4944 4913 -178 196 125 O +ATOM 759 CB VAL B 6 -26.496 -15.357 -20.132 1.00 43.61 C +ANISOU 759 CB VAL B 6 5675 5449 5445 0 68 89 C +ATOM 760 CG1 VAL B 6 -26.579 -14.975 -18.662 1.00 45.36 C +ANISOU 760 CG1 VAL B 6 5860 5659 5714 -5 90 55 C +ATOM 761 CG2 VAL B 6 -27.382 -16.547 -20.422 1.00 42.80 C +ANISOU 761 CG2 VAL B 6 5551 5370 5340 37 -7 99 C +ATOM 762 N LYS B 7 -26.334 -11.940 -20.314 1.00 40.23 N +ANISOU 762 N LYS B 7 5512 4765 5007 -71 162 150 N +ATOM 763 CA LYS B 7 -25.489 -10.806 -20.042 1.00 45.32 C +ANISOU 763 CA LYS B 7 6277 5311 5631 -205 217 138 C +ATOM 764 C LYS B 7 -25.268 -10.732 -18.545 1.00 45.32 C +ANISOU 764 C LYS B 7 6243 5315 5660 -241 224 48 C +ATOM 765 O LYS B 7 -26.230 -10.649 -17.762 1.00 42.09 O +ANISOU 765 O LYS B 7 5848 4860 5282 -112 213 21 O +ATOM 766 CB LYS B 7 -26.179 -9.567 -20.522 1.00 45.61 C +ANISOU 766 CB LYS B 7 6527 5150 5652 -141 218 203 C +ATOM 767 CG LYS B 7 -25.518 -8.255 -20.177 1.00 54.48 C +ANISOU 767 CG LYS B 7 7863 6090 6747 -291 265 191 C +ATOM 768 CD LYS B 7 -26.348 -7.148 -20.886 1.00 64.52 C +ANISOU 768 CD LYS B 7 9392 7132 7990 -162 255 284 C +ATOM 769 CE LYS B 7 -25.977 -5.744 -20.437 1.00 79.55 C +ANISOU 769 CE LYS B 7 11603 8759 9861 -274 292 266 C +ATOM 770 NZ LYS B 7 -26.138 -4.714 -21.507 1.00 86.71 N +ANISOU 770 NZ LYS B 7 12802 9439 10702 -264 295 396 N +ATOM 771 N PHE B 8 -24.001 -10.796 -18.153 1.00 44.26 N +ANISOU 771 N PHE B 8 6044 5273 5500 -411 242 4 N +ATOM 772 CA PHE B 8 -23.636 -10.739 -16.757 1.00 48.27 C +ANISOU 772 CA PHE B 8 6521 5811 6006 -472 227 -80 C +ATOM 773 C PHE B 8 -23.203 -9.366 -16.431 1.00 50.61 C +ANISOU 773 C PHE B 8 7012 5952 6265 -641 245 -114 C +ATOM 774 O PHE B 8 -22.332 -8.836 -17.115 1.00 51.85 O +ANISOU 774 O PHE B 8 7205 6107 6388 -833 269 -77 O +ATOM 775 CB PHE B 8 -22.495 -11.714 -16.458 1.00 46.54 C +ANISOU 775 CB PHE B 8 6090 5823 5767 -542 208 -104 C +ATOM 776 CG PHE B 8 -22.919 -13.133 -16.573 1.00 43.20 C +ANISOU 776 CG PHE B 8 5543 5501 5370 -371 182 -85 C +ATOM 777 CD1 PHE B 8 -23.753 -13.684 -15.611 1.00 45.99 C +ANISOU 777 CD1 PHE B 8 5889 5839 5743 -264 152 -107 C +ATOM 778 CD2 PHE B 8 -22.561 -13.888 -17.670 1.00 43.53 C +ANISOU 778 CD2 PHE B 8 5511 5629 5397 -326 196 -45 C +ATOM 779 CE1 PHE B 8 -24.172 -15.008 -15.719 1.00 45.51 C +ANISOU 779 CE1 PHE B 8 5756 5836 5697 -151 123 -79 C +ATOM 780 CE2 PHE B 8 -22.977 -15.203 -17.786 1.00 47.96 C +ANISOU 780 CE2 PHE B 8 6024 6230 5968 -183 163 -39 C +ATOM 781 CZ PHE B 8 -23.809 -15.751 -16.817 1.00 42.32 C +ANISOU 781 CZ PHE B 8 5316 5479 5284 -113 120 -50 C +ATOM 782 N ILE B 9 -23.818 -8.777 -15.407 1.00 50.12 N +ANISOU 782 N ILE B 9 7095 5752 6194 -582 242 -186 N +ATOM 783 CA ILE B 9 -23.293 -7.532 -14.841 1.00 52.49 C +ANISOU 783 CA ILE B 9 7627 5881 6436 -773 243 -255 C +ATOM 784 C ILE B 9 -22.569 -7.908 -13.581 1.00 53.51 C +ANISOU 784 C ILE B 9 7645 6168 6518 -894 195 -352 C +ATOM 785 O ILE B 9 -23.199 -8.276 -12.624 1.00 53.62 O +ANISOU 785 O ILE B 9 7645 6206 6520 -744 190 -409 O +ATOM 786 CB ILE B 9 -24.432 -6.583 -14.587 1.00 57.52 C +ANISOU 786 CB ILE B 9 8544 6244 7065 -590 275 -283 C +ATOM 787 CG1 ILE B 9 -25.188 -6.426 -15.903 1.00 59.96 C +ANISOU 787 CG1 ILE B 9 8902 6461 7416 -426 296 -159 C +ATOM 788 CG2 ILE B 9 -23.932 -5.267 -13.966 1.00 60.99 C +ANISOU 788 CG2 ILE B 9 9309 6437 7425 -785 272 -375 C +ATOM 789 CD1 ILE B 9 -26.172 -5.282 -15.905 1.00 63.59 C +ANISOU 789 CD1 ILE B 9 9670 6630 7859 -227 324 -158 C +ATOM 790 N THR B 10 -21.243 -7.928 -13.622 1.00 58.51 N +ANISOU 790 N THR B 10 8157 6958 7116 -1157 160 -355 N +ATOM 791 CA THR B 10 -20.440 -8.325 -12.483 1.00 58.08 C +ANISOU 791 CA THR B 10 7958 7106 7001 -1275 86 -431 C +ATOM 792 C THR B 10 -19.973 -7.044 -11.813 1.00 70.23 C +ANISOU 792 C THR B 10 9748 8484 8451 -1550 48 -529 C +ATOM 793 O THR B 10 -20.144 -5.958 -12.368 1.00 71.35 O +ANISOU 793 O THR B 10 10161 8360 8588 -1655 87 -519 O +ATOM 794 CB THR B 10 -19.189 -9.135 -12.876 1.00 58.06 C +ANISOU 794 CB THR B 10 7627 7434 6998 -1387 54 -376 C +ATOM 795 OG1 THR B 10 -18.233 -8.281 -13.503 1.00 67.21 O +ANISOU 795 OG1 THR B 10 8801 8610 8125 -1697 67 -349 O +ATOM 796 CG2 THR B 10 -19.528 -10.276 -13.818 1.00 59.69 C +ANISOU 796 CG2 THR B 10 7661 7742 7275 -1147 101 -286 C +ATOM 797 N PRO B 11 -19.376 -7.160 -10.620 1.00 72.85 N +ANISOU 797 N PRO B 11 10022 8962 8697 -1676 -39 -622 N +ATOM 798 CA PRO B 11 -18.837 -5.933 -10.022 1.00 82.51 C +ANISOU 798 CA PRO B 11 11506 10030 9814 -1997 -96 -729 C +ATOM 799 C PRO B 11 -17.740 -5.357 -10.913 1.00 82.13 C +ANISOU 799 C PRO B 11 11402 10036 9765 -2359 -105 -662 C +ATOM 800 O PRO B 11 -17.601 -4.166 -11.043 1.00 81.04 O +ANISOU 800 O PRO B 11 11578 9634 9578 -2614 -104 -697 O +ATOM 801 CB PRO B 11 -18.263 -6.417 -8.685 1.00 79.55 C +ANISOU 801 CB PRO B 11 10990 9902 9333 -2070 -213 -819 C +ATOM 802 CG PRO B 11 -19.024 -7.665 -8.373 1.00 77.41 C +ANISOU 802 CG PRO B 11 10544 9762 9107 -1699 -182 -776 C +ATOM 803 CD PRO B 11 -19.316 -8.308 -9.700 1.00 70.96 C +ANISOU 803 CD PRO B 11 9555 8976 8429 -1526 -97 -639 C +ATOM 804 N GLU B 12 -17.008 -6.230 -11.575 1.00 88.50 N +ANISOU 804 N GLU B 12 11824 11180 10621 -2365 -98 -558 N +ATOM 805 CA GLU B 12 -15.873 -5.804 -12.367 1.00 99.06 C +ANISOU 805 CA GLU B 12 13027 12669 11940 -2715 -89 -484 C +ATOM 806 C GLU B 12 -16.299 -5.351 -13.766 1.00 93.10 C +ANISOU 806 C GLU B 12 12432 11697 11242 -2687 35 -371 C +ATOM 807 O GLU B 12 -15.498 -4.776 -14.476 1.00 97.19 O +ANISOU 807 O GLU B 12 12930 12268 11727 -3008 67 -299 O +ATOM 808 CB GLU B 12 -14.832 -6.940 -12.446 1.00112.44 C +ANISOU 808 CB GLU B 12 14216 14866 13638 -2694 -123 -425 C +ATOM 809 CG GLU B 12 -14.678 -7.719 -11.130 1.00124.13 C +ANISOU 809 CG GLU B 12 15529 16561 15070 -2562 -247 -503 C +ATOM 810 CD GLU B 12 -13.339 -8.441 -10.973 1.00129.71 C +ANISOU 810 CD GLU B 12 15773 17775 15735 -2649 -327 -459 C +ATOM 811 OE1 GLU B 12 -12.591 -8.120 -10.015 1.00122.40 O +ANISOU 811 OE1 GLU B 12 14767 17032 14705 -2906 -469 -526 O +ATOM 812 OE2 GLU B 12 -13.042 -9.343 -11.788 1.00121.66 O +ANISOU 812 OE2 GLU B 12 14470 16981 14772 -2441 -255 -362 O +ATOM 813 N GLY B 13 -17.543 -5.608 -14.166 1.00 81.49 N +ANISOU 813 N GLY B 13 11109 10009 9842 -2323 99 -344 N +ATOM 814 CA GLY B 13 -18.037 -5.147 -15.451 1.00 73.28 C +ANISOU 814 CA GLY B 13 10250 8758 8835 -2271 193 -234 C +ATOM 815 C GLY B 13 -18.997 -6.122 -16.098 1.00 65.13 C +ANISOU 815 C GLY B 13 9104 7761 7882 -1867 241 -172 C +ATOM 816 O GLY B 13 -19.539 -6.995 -15.467 1.00 67.40 O +ANISOU 816 O GLY B 13 9263 8138 8207 -1617 210 -222 O +ATOM 817 N GLU B 14 -19.185 -5.957 -17.384 1.00 61.80 N +ANISOU 817 N GLU B 14 8743 7270 7466 -1838 311 -57 N +ATOM 818 CA GLU B 14 -20.256 -6.598 -18.125 1.00 63.32 C +ANISOU 818 CA GLU B 14 8924 7423 7712 -1496 338 2 C +ATOM 819 C GLU B 14 -19.671 -7.497 -19.189 1.00 56.31 C +ANISOU 819 C GLU B 14 7774 6809 6810 -1480 388 83 C +ATOM 820 O GLU B 14 -18.634 -7.194 -19.774 1.00 62.63 O +ANISOU 820 O GLU B 14 8502 7742 7551 -1731 443 140 O +ATOM 821 CB GLU B 14 -21.129 -5.544 -18.792 1.00 71.21 C +ANISOU 821 CB GLU B 14 10284 8074 8699 -1428 362 71 C +ATOM 822 CG GLU B 14 -22.416 -5.260 -18.043 1.00 86.78 C +ANISOU 822 CG GLU B 14 12442 9819 10709 -1152 330 6 C +ATOM 823 CD GLU B 14 -22.957 -3.842 -18.244 1.00101.03 C +ANISOU 823 CD GLU B 14 14681 11229 12476 -1139 343 36 C +ATOM 824 OE1 GLU B 14 -22.373 -2.917 -17.631 1.00107.53 O +ANISOU 824 OE1 GLU B 14 15741 11869 13245 -1388 335 -29 O +ATOM 825 OE2 GLU B 14 -23.973 -3.658 -18.983 1.00100.60 O +ANISOU 825 OE2 GLU B 14 14745 11041 12435 -874 348 124 O +ATOM 826 N LEU B 15 -20.365 -8.587 -19.454 1.00 56.17 N +ANISOU 826 N LEU B 15 7631 6874 6835 -1191 377 86 N +ATOM 827 CA LEU B 15 -20.023 -9.507 -20.528 1.00 55.27 C +ANISOU 827 CA LEU B 15 7340 6967 6692 -1109 425 143 C +ATOM 828 C LEU B 15 -21.290 -10.308 -20.860 1.00 53.66 C +ANISOU 828 C LEU B 15 7166 6692 6529 -812 384 148 C +ATOM 829 O LEU B 15 -22.039 -10.720 -19.940 1.00 50.69 O +ANISOU 829 O LEU B 15 6774 6269 6216 -671 324 88 O +ATOM 830 CB LEU B 15 -18.948 -10.454 -20.044 1.00 57.82 C +ANISOU 830 CB LEU B 15 7356 7605 7007 -1128 426 93 C +ATOM 831 CG LEU B 15 -18.440 -11.420 -21.099 1.00 63.30 C +ANISOU 831 CG LEU B 15 7878 8524 7650 -1015 495 130 C +ATOM 832 CD1 LEU B 15 -17.756 -10.666 -22.216 1.00 63.58 C +ANISOU 832 CD1 LEU B 15 7943 8622 7594 -1222 602 221 C +ATOM 833 CD2 LEU B 15 -17.443 -12.372 -20.490 1.00 65.97 C +ANISOU 833 CD2 LEU B 15 7922 9161 7982 -958 487 79 C +ATOM 834 N GLU B 16 -21.532 -10.510 -22.157 1.00 47.63 N +ANISOU 834 N GLU B 16 6447 5937 5713 -745 415 221 N +ATOM 835 CA GLU B 16 -22.664 -11.304 -22.654 1.00 45.67 C +ANISOU 835 CA GLU B 16 6218 5656 5479 -515 358 230 C +ATOM 836 C GLU B 16 -22.099 -12.584 -23.254 1.00 48.61 C +ANISOU 836 C GLU B 16 6436 6232 5799 -443 384 205 C +ATOM 837 O GLU B 16 -21.055 -12.553 -23.930 1.00 46.18 O +ANISOU 837 O GLU B 16 6067 6070 5407 -536 474 229 O +ATOM 838 CB GLU B 16 -23.451 -10.553 -23.698 1.00 48.11 C +ANISOU 838 CB GLU B 16 6731 5809 5738 -476 346 328 C +ATOM 839 CG GLU B 16 -24.832 -11.113 -24.032 1.00 53.37 C +ANISOU 839 CG GLU B 16 7413 6439 6424 -265 251 343 C +ATOM 840 CD GLU B 16 -25.747 -10.126 -24.829 1.00 57.72 C +ANISOU 840 CD GLU B 16 8169 6829 6932 -188 209 453 C +ATOM 841 OE1 GLU B 16 -26.936 -9.937 -24.446 1.00 69.98 O +ANISOU 841 OE1 GLU B 16 9737 8308 8544 -25 134 464 O +ATOM 842 OE2 GLU B 16 -25.279 -9.506 -25.809 1.00 71.51 O +ANISOU 842 OE2 GLU B 16 10058 8536 8577 -278 255 541 O +ATOM 843 N VAL B 17 -22.770 -13.706 -22.978 1.00 44.60 N +ANISOU 843 N VAL B 17 5878 5736 5329 -281 315 156 N +ATOM 844 CA VAL B 17 -22.304 -14.976 -23.436 1.00 46.75 C +ANISOU 844 CA VAL B 17 6070 6143 5548 -182 330 114 C +ATOM 845 C VAL B 17 -23.463 -15.746 -23.995 1.00 45.90 C +ANISOU 845 C VAL B 17 6061 5952 5427 -66 243 110 C +ATOM 846 O VAL B 17 -24.614 -15.485 -23.683 1.00 43.95 O +ANISOU 846 O VAL B 17 5860 5598 5240 -49 164 134 O +ATOM 847 CB VAL B 17 -21.605 -15.796 -22.302 1.00 47.60 C +ANISOU 847 CB VAL B 17 6021 6360 5702 -132 323 46 C +ATOM 848 CG1 VAL B 17 -20.698 -14.897 -21.492 1.00 51.12 C +ANISOU 848 CG1 VAL B 17 6363 6888 6173 -288 361 47 C +ATOM 849 CG2 VAL B 17 -22.618 -16.422 -21.353 1.00 49.09 C +ANISOU 849 CG2 VAL B 17 6236 6442 5970 -53 227 18 C +ATOM 850 N GLU B 18 -23.109 -16.745 -24.776 1.00 46.07 N +ANISOU 850 N GLU B 18 6102 6043 5357 16 260 72 N +ATOM 851 CA GLU B 18 -24.020 -17.745 -25.270 1.00 49.63 C +ANISOU 851 CA GLU B 18 6660 6424 5772 95 165 41 C +ATOM 852 C GLU B 18 -24.215 -18.851 -24.218 1.00 44.35 C +ANISOU 852 C GLU B 18 5956 5714 5177 154 106 -15 C +ATOM 853 O GLU B 18 -23.267 -19.284 -23.560 1.00 51.13 O +ANISOU 853 O GLU B 18 6734 6641 6052 214 157 -53 O +ATOM 854 CB GLU B 18 -23.469 -18.355 -26.555 1.00 50.78 C +ANISOU 854 CB GLU B 18 6901 6634 5756 163 218 4 C +ATOM 855 CG GLU B 18 -23.996 -17.686 -27.802 1.00 68.77 C +ANISOU 855 CG GLU B 18 9305 8898 7926 113 200 68 C +ATOM 856 CD GLU B 18 -23.835 -18.551 -29.075 1.00 88.05 C +ANISOU 856 CD GLU B 18 11901 11375 10178 191 210 8 C +ATOM 857 OE1 GLU B 18 -22.896 -19.410 -29.126 1.00 81.31 O +ANISOU 857 OE1 GLU B 18 11040 10592 9262 305 301 -77 O +ATOM 858 OE2 GLU B 18 -24.664 -18.355 -30.020 1.00 95.29 O +ANISOU 858 OE2 GLU B 18 12955 12254 10995 158 122 45 O +ATOM 859 N CYS B 19 -25.445 -19.302 -24.075 1.00 41.64 N +ANISOU 859 N CYS B 19 5672 5279 4869 130 -6 -8 N +ATOM 860 CA CYS B 19 -25.763 -20.344 -23.133 1.00 45.79 C +ANISOU 860 CA CYS B 19 6202 5746 5449 144 -63 -39 C +ATOM 861 C CYS B 19 -26.882 -21.159 -23.766 1.00 46.84 C +ANISOU 861 C CYS B 19 6462 5798 5535 89 -183 -46 C +ATOM 862 O CYS B 19 -27.984 -20.631 -23.986 1.00 45.31 O +ANISOU 862 O CYS B 19 6227 5622 5365 10 -256 7 O +ATOM 863 CB CYS B 19 -26.236 -19.742 -21.802 1.00 44.81 C +ANISOU 863 CB CYS B 19 5955 5628 5442 93 -68 2 C +ATOM 864 SG CYS B 19 -26.514 -21.029 -20.541 1.00 44.98 S +ANISOU 864 SG CYS B 19 5996 5591 5503 93 -120 -8 S +ATOM 865 N ASP B 20 -26.627 -22.429 -24.061 1.00 46.35 N +ANISOU 865 N ASP B 20 6561 5651 5398 132 -213 -114 N +ATOM 866 CA ASP B 20 -27.710 -23.303 -24.531 1.00 48.89 C +ANISOU 866 CA ASP B 20 7032 5874 5668 19 -349 -130 C +ATOM 867 C ASP B 20 -28.747 -23.474 -23.465 1.00 47.10 C +ANISOU 867 C ASP B 20 6711 5635 5547 -116 -420 -68 C +ATOM 868 O ASP B 20 -28.472 -23.214 -22.296 1.00 47.38 O +ANISOU 868 O ASP B 20 6628 5699 5673 -83 -357 -35 O +ATOM 869 CB ASP B 20 -27.195 -24.650 -25.016 1.00 49.61 C +ANISOU 869 CB ASP B 20 7385 5821 5642 92 -366 -229 C +ATOM 870 CG ASP B 20 -26.366 -24.538 -26.278 1.00 56.74 C +ANISOU 870 CG ASP B 20 8391 6766 6398 224 -291 -299 C +ATOM 871 OD1 ASP B 20 -26.482 -23.537 -27.079 1.00 61.65 O +ANISOU 871 OD1 ASP B 20 8935 7508 6978 194 -270 -261 O +ATOM 872 OD2 ASP B 20 -25.587 -25.487 -26.498 1.00 64.45 O +ANISOU 872 OD2 ASP B 20 9551 7653 7283 379 -246 -389 O +ATOM 873 N ASP B 21 -29.960 -23.866 -23.882 1.00 51.35 N +ANISOU 873 N ASP B 21 7285 6165 6058 -283 -552 -48 N +ATOM 874 CA ASP B 21 -31.093 -24.022 -22.958 1.00 47.36 C +ANISOU 874 CA ASP B 21 6647 5708 5637 -444 -612 27 C +ATOM 875 C ASP B 21 -30.985 -25.153 -21.926 1.00 47.41 C +ANISOU 875 C ASP B 21 6767 5582 5664 -512 -610 28 C +ATOM 876 O ASP B 21 -31.828 -25.247 -21.025 1.00 45.27 O +ANISOU 876 O ASP B 21 6372 5373 5454 -650 -626 105 O +ATOM 877 CB ASP B 21 -32.458 -24.057 -23.695 1.00 51.66 C +ANISOU 877 CB ASP B 21 7134 6351 6143 -629 -764 67 C +ATOM 878 CG ASP B 21 -32.657 -25.259 -24.632 1.00 61.29 C +ANISOU 878 CG ASP B 21 8623 7436 7229 -779 -899 -7 C +ATOM 879 OD1 ASP B 21 -31.869 -26.233 -24.690 1.00 60.99 O +ANISOU 879 OD1 ASP B 21 8860 7188 7124 -738 -879 -93 O +ATOM 880 OD2 ASP B 21 -33.671 -25.198 -25.362 1.00 76.44 O +ANISOU 880 OD2 ASP B 21 10482 9466 9093 -935 -1042 19 O +ATOM 881 N ASP B 22 -29.986 -26.019 -22.094 1.00 45.76 N +ANISOU 881 N ASP B 22 6801 5197 5386 -402 -588 -47 N +ATOM 882 CA ASP B 22 -29.698 -27.103 -21.184 1.00 49.94 C +ANISOU 882 CA ASP B 22 7499 5560 5913 -408 -587 -39 C +ATOM 883 C ASP B 22 -28.367 -26.870 -20.478 1.00 51.81 C +ANISOU 883 C ASP B 22 7692 5815 6179 -156 -468 -51 C +ATOM 884 O ASP B 22 -27.852 -27.770 -19.904 1.00 47.85 O +ANISOU 884 O ASP B 22 7360 5171 5649 -76 -467 -52 O +ATOM 885 CB ASP B 22 -29.681 -28.442 -21.915 1.00 54.09 C +ANISOU 885 CB ASP B 22 8395 5838 6318 -461 -680 -116 C +ATOM 886 CG ASP B 22 -28.657 -28.512 -23.084 1.00 63.91 C +ANISOU 886 CG ASP B 22 9803 7027 7451 -230 -637 -239 C +ATOM 887 OD1 ASP B 22 -28.251 -27.429 -23.607 1.00 56.77 O +ANISOU 887 OD1 ASP B 22 8699 6311 6557 -118 -561 -247 O +ATOM 888 OD2 ASP B 22 -28.283 -29.685 -23.476 1.00 60.29 O +ANISOU 888 OD2 ASP B 22 9703 6324 6879 -163 -672 -325 O +ATOM 889 N VAL B 23 -27.833 -25.644 -20.499 1.00 44.07 N +ANISOU 889 N VAL B 23 6485 5013 5246 -45 -380 -50 N +ATOM 890 CA VAL B 23 -26.611 -25.310 -19.757 1.00 47.28 C +ANISOU 890 CA VAL B 23 6793 5491 5677 138 -286 -54 C +ATOM 891 C VAL B 23 -26.941 -24.305 -18.663 1.00 46.19 C +ANISOU 891 C VAL B 23 6430 5488 5630 71 -247 9 C +ATOM 892 O VAL B 23 -27.644 -23.285 -18.881 1.00 39.27 O +ANISOU 892 O VAL B 23 5415 4705 4798 -11 -238 32 O +ATOM 893 CB VAL B 23 -25.523 -24.795 -20.707 1.00 50.38 C +ANISOU 893 CB VAL B 23 7146 5975 6020 297 -208 -117 C +ATOM 894 CG1 VAL B 23 -24.342 -24.208 -19.967 1.00 46.76 C +ANISOU 894 CG1 VAL B 23 6507 5665 5593 423 -122 -109 C +ATOM 895 CG2 VAL B 23 -25.132 -25.955 -21.653 1.00 50.32 C +ANISOU 895 CG2 VAL B 23 7401 5823 5893 416 -228 -198 C +ATOM 896 N TYR B 24 -26.524 -24.659 -17.451 1.00 44.23 N +ANISOU 896 N TYR B 24 6178 5236 5390 119 -233 41 N +ATOM 897 CA TYR B 24 -26.635 -23.726 -16.362 1.00 42.32 C +ANISOU 897 CA TYR B 24 5758 5120 5199 83 -187 78 C +ATOM 898 C TYR B 24 -25.823 -22.471 -16.675 1.00 41.44 C +ANISOU 898 C TYR B 24 5501 5135 5109 147 -123 34 C +ATOM 899 O TYR B 24 -24.735 -22.521 -17.198 1.00 44.52 O +ANISOU 899 O TYR B 24 5887 5563 5465 255 -98 -5 O +ATOM 900 CB TYR B 24 -26.178 -24.336 -15.052 1.00 44.23 C +ANISOU 900 CB TYR B 24 6041 5350 5413 135 -194 117 C +ATOM 901 CG TYR B 24 -27.087 -25.431 -14.497 1.00 46.96 C +ANISOU 901 CG TYR B 24 6541 5568 5732 16 -244 192 C +ATOM 902 CD1 TYR B 24 -28.468 -25.241 -14.364 1.00 44.56 C +ANISOU 902 CD1 TYR B 24 6173 5299 5459 -181 -243 243 C +ATOM 903 CD2 TYR B 24 -26.538 -26.649 -14.079 1.00 51.68 C +ANISOU 903 CD2 TYR B 24 7347 6023 6266 106 -288 224 C +ATOM 904 CE1 TYR B 24 -29.285 -26.242 -13.871 1.00 49.24 C +ANISOU 904 CE1 TYR B 24 6889 5801 6017 -343 -281 325 C +ATOM 905 CE2 TYR B 24 -27.342 -27.663 -13.564 1.00 49.44 C +ANISOU 905 CE2 TYR B 24 7249 5591 5944 -40 -332 309 C +ATOM 906 CZ TYR B 24 -28.691 -27.448 -13.430 1.00 51.30 C +ANISOU 906 CZ TYR B 24 7400 5881 6209 -289 -324 362 C +ATOM 907 OH TYR B 24 -29.429 -28.459 -12.887 1.00 52.12 O +ANISOU 907 OH TYR B 24 7677 5862 6265 -476 -359 461 O +ATOM 908 N VAL B 25 -26.397 -21.353 -16.303 1.00 42.58 N +ANISOU 908 N VAL B 25 5534 5344 5298 74 -91 48 N +ATOM 909 CA VAL B 25 -25.870 -19.977 -16.515 1.00 43.51 C +ANISOU 909 CA VAL B 25 5561 5536 5435 77 -35 18 C +ATOM 910 C VAL B 25 -24.479 -19.883 -15.914 1.00 45.47 C +ANISOU 910 C VAL B 25 5750 5871 5655 125 -13 -11 C +ATOM 911 O VAL B 25 -23.583 -19.234 -16.483 1.00 42.02 O +ANISOU 911 O VAL B 25 5255 5505 5205 121 24 -37 O +ATOM 912 CB VAL B 25 -27.014 -19.053 -15.974 1.00 47.07 C +ANISOU 912 CB VAL B 25 5964 5993 5928 22 -14 42 C +ATOM 913 CG1 VAL B 25 -26.658 -17.985 -14.979 1.00 51.34 C +ANISOU 913 CG1 VAL B 25 6467 6569 6468 14 35 10 C +ATOM 914 CG2 VAL B 25 -27.951 -18.612 -17.124 1.00 50.07 C +ANISOU 914 CG2 VAL B 25 6347 6348 6328 11 -32 68 C +ATOM 915 N LEU B 26 -24.262 -20.562 -14.781 1.00 42.91 N +ANISOU 915 N LEU B 26 5432 5567 5305 159 -44 3 N +ATOM 916 CA LEU B 26 -22.937 -20.508 -14.120 1.00 44.21 C +ANISOU 916 CA LEU B 26 5508 5860 5427 214 -52 -16 C +ATOM 917 C LEU B 26 -21.873 -21.156 -15.044 1.00 43.16 C +ANISOU 917 C LEU B 26 5348 5786 5263 347 -46 -31 C +ATOM 918 O LEU B 26 -20.782 -20.644 -15.204 1.00 41.77 O +ANISOU 918 O LEU B 26 5032 5771 5066 355 -19 -54 O +ATOM 919 CB LEU B 26 -22.973 -21.227 -12.757 1.00 43.87 C +ANISOU 919 CB LEU B 26 5503 5824 5338 252 -103 21 C +ATOM 920 CG LEU B 26 -21.633 -21.303 -12.009 1.00 51.12 C +ANISOU 920 CG LEU B 26 6319 6909 6194 330 -147 15 C +ATOM 921 CD1 LEU B 26 -20.989 -19.928 -11.865 1.00 47.47 C +ANISOU 921 CD1 LEU B 26 5717 6587 5732 203 -127 -41 C +ATOM 922 CD2 LEU B 26 -21.802 -21.989 -10.650 1.00 53.81 C +ANISOU 922 CD2 LEU B 26 6734 7244 6465 368 -206 70 C +ATOM 923 N ASP B 27 -22.221 -22.283 -15.633 1.00 44.33 N +ANISOU 923 N ASP B 27 5638 5809 5394 443 -66 -21 N +ATOM 924 CA ASP B 27 -21.332 -23.028 -16.510 1.00 46.01 C +ANISOU 924 CA ASP B 27 5876 6049 5554 621 -47 -49 C +ATOM 925 C ASP B 27 -20.956 -22.226 -17.766 1.00 49.22 C +ANISOU 925 C ASP B 27 6200 6549 5953 583 32 -86 C +ATOM 926 O ASP B 27 -19.802 -22.149 -18.106 1.00 50.44 O +ANISOU 926 O ASP B 27 6223 6878 6063 680 86 -104 O +ATOM 927 CB ASP B 27 -21.974 -24.337 -16.843 1.00 48.69 C +ANISOU 927 CB ASP B 27 6461 6173 5864 695 -93 -45 C +ATOM 928 CG ASP B 27 -22.021 -25.293 -15.605 1.00 61.91 C +ANISOU 928 CG ASP B 27 8247 7761 7515 764 -163 12 C +ATOM 929 OD1 ASP B 27 -21.027 -25.395 -14.870 1.00 72.00 O +ANISOU 929 OD1 ASP B 27 9424 9171 8760 907 -177 30 O +ATOM 930 OD2 ASP B 27 -23.034 -25.974 -15.376 1.00 65.76 O +ANISOU 930 OD2 ASP B 27 8922 8059 8004 668 -211 51 O +ATOM 931 N ALA B 28 -21.929 -21.573 -18.394 1.00 48.34 N +ANISOU 931 N ALA B 28 6146 6346 5874 438 40 -82 N +ATOM 932 CA ALA B 28 -21.708 -20.761 -19.556 1.00 48.04 C +ANISOU 932 CA ALA B 28 6072 6368 5811 384 108 -93 C +ATOM 933 C ALA B 28 -20.772 -19.641 -19.163 1.00 49.27 C +ANISOU 933 C ALA B 28 6043 6698 5979 293 162 -84 C +ATOM 934 O ALA B 28 -19.857 -19.319 -19.908 1.00 48.19 O +ANISOU 934 O ALA B 28 5813 6707 5789 295 240 -88 O +ATOM 935 CB ALA B 28 -23.039 -20.183 -20.056 1.00 52.12 C +ANISOU 935 CB ALA B 28 6682 6758 6362 258 77 -68 C +ATOM 936 N ALA B 29 -20.986 -19.058 -17.979 1.00 46.38 N +ANISOU 936 N ALA B 29 5631 6327 5664 194 124 -74 N +ATOM 937 CA ALA B 29 -20.076 -18.026 -17.489 1.00 48.20 C +ANISOU 937 CA ALA B 29 5715 6706 5890 65 150 -79 C +ATOM 938 C ALA B 29 -18.630 -18.516 -17.392 1.00 50.01 C +ANISOU 938 C ALA B 29 5752 7184 6064 154 166 -86 C +ATOM 939 O ALA B 29 -17.691 -17.860 -17.830 1.00 49.30 O +ANISOU 939 O ALA B 29 5514 7276 5941 54 227 -80 O +ATOM 940 CB ALA B 29 -20.518 -17.475 -16.122 1.00 48.24 C +ANISOU 940 CB ALA B 29 5740 6659 5928 -29 96 -90 C +ATOM 941 N GLU B 30 -18.455 -19.668 -16.787 1.00 50.74 N +ANISOU 941 N GLU B 30 5842 7297 6140 344 111 -87 N +ATOM 942 CA GLU B 30 -17.125 -20.211 -16.573 1.00 53.52 C +ANISOU 942 CA GLU B 30 5996 7905 6434 495 109 -84 C +ATOM 943 C GLU B 30 -16.487 -20.582 -17.882 1.00 55.58 C +ANISOU 943 C GLU B 30 6200 8279 6639 634 213 -95 C +ATOM 944 O GLU B 30 -15.310 -20.345 -18.062 1.00 53.30 O +ANISOU 944 O GLU B 30 5662 8284 6302 650 267 -87 O +ATOM 945 CB GLU B 30 -17.245 -21.433 -15.659 1.00 55.76 C +ANISOU 945 CB GLU B 30 6364 8121 6701 708 18 -66 C +ATOM 946 CG GLU B 30 -17.599 -20.966 -14.244 1.00 60.54 C +ANISOU 946 CG GLU B 30 6973 8707 7322 564 -69 -52 C +ATOM 947 CD GLU B 30 -17.847 -22.100 -13.266 1.00 67.44 C +ANISOU 947 CD GLU B 30 7969 9491 8161 734 -157 -9 C +ATOM 948 OE1 GLU B 30 -18.209 -23.248 -13.665 1.00 66.53 O +ANISOU 948 OE1 GLU B 30 8035 9206 8037 915 -159 8 O +ATOM 949 OE2 GLU B 30 -17.669 -21.807 -12.069 1.00 71.86 O +ANISOU 949 OE2 GLU B 30 8471 10144 8689 666 -231 5 O +ATOM 950 N GLU B 31 -17.279 -21.156 -18.796 1.00 55.65 N +ANISOU 950 N GLU B 31 6432 8073 6637 723 241 -115 N +ATOM 951 CA GLU B 31 -16.811 -21.477 -20.146 1.00 59.63 C +ANISOU 951 CA GLU B 31 6942 8655 7058 853 350 -141 C +ATOM 952 C GLU B 31 -16.291 -20.194 -20.865 1.00 55.72 C +ANISOU 952 C GLU B 31 6283 8348 6540 632 457 -115 C +ATOM 953 O GLU B 31 -15.355 -20.248 -21.599 1.00 58.65 O +ANISOU 953 O GLU B 31 6505 8951 6826 714 569 -117 O +ATOM 954 CB GLU B 31 -17.945 -22.145 -20.947 1.00 70.50 C +ANISOU 954 CB GLU B 31 8629 9739 8417 905 329 -174 C +ATOM 955 CG GLU B 31 -17.483 -23.157 -21.980 1.00 89.10 C +ANISOU 955 CG GLU B 31 11093 12105 10654 1169 401 -233 C +ATOM 956 CD GLU B 31 -16.540 -24.196 -21.373 1.00108.88 C +ANISOU 956 CD GLU B 31 13534 14713 13120 1482 395 -248 C +ATOM 957 OE1 GLU B 31 -16.868 -24.715 -20.275 1.00122.63 O +ANISOU 957 OE1 GLU B 31 15352 16322 14918 1517 281 -221 O +ATOM 958 OE2 GLU B 31 -15.461 -24.475 -21.968 1.00106.25 O +ANISOU 958 OE2 GLU B 31 13067 14613 12689 1708 509 -276 O +ATOM 959 N ALA B 32 -16.902 -19.037 -20.607 1.00 54.88 N +ANISOU 959 N ALA B 32 6217 8134 6498 356 427 -85 N +ATOM 960 CA ALA B 32 -16.492 -17.745 -21.179 1.00 59.73 C +ANISOU 960 CA ALA B 32 6747 8857 7089 106 511 -44 C +ATOM 961 C ALA B 32 -15.343 -17.016 -20.467 1.00 63.02 C +ANISOU 961 C ALA B 32 6892 9546 7504 -75 520 -22 C +ATOM 962 O ALA B 32 -14.998 -15.927 -20.905 1.00 63.67 O +ANISOU 962 O ALA B 32 6934 9694 7561 -332 587 19 O +ATOM 963 CB ALA B 32 -17.705 -16.806 -21.263 1.00 56.13 C +ANISOU 963 CB ALA B 32 6511 8123 6691 -78 469 -20 C +ATOM 964 N GLY B 33 -14.771 -17.574 -19.387 1.00 61.55 N +ANISOU 964 N GLY B 33 6539 9514 7332 31 442 -42 N +ATOM 965 CA GLY B 33 -13.600 -16.980 -18.707 1.00 63.73 C +ANISOU 965 CA GLY B 33 6518 10110 7586 -146 423 -23 C +ATOM 966 C GLY B 33 -13.895 -16.058 -17.525 1.00 66.50 C +ANISOU 966 C GLY B 33 6927 10352 7985 -414 308 -38 C +ATOM 967 O GLY B 33 -13.016 -15.338 -17.073 1.00 78.05 O +ANISOU 967 O GLY B 33 8192 12044 9417 -656 282 -30 O +ATOM 968 N ILE B 34 -15.129 -16.076 -17.028 1.00 67.68 N +ANISOU 968 N ILE B 34 7348 10169 8195 -380 241 -66 N +ATOM 969 CA ILE B 34 -15.538 -15.285 -15.866 1.00 69.74 C +ANISOU 969 CA ILE B 34 7714 10302 8481 -573 147 -99 C +ATOM 970 C ILE B 34 -15.518 -16.184 -14.636 1.00 64.98 C +ANISOU 970 C ILE B 34 7061 9759 7866 -396 34 -118 C +ATOM 971 O ILE B 34 -15.991 -17.333 -14.669 1.00 60.93 O +ANISOU 971 O ILE B 34 6620 9161 7366 -127 24 -105 O +ATOM 972 CB ILE B 34 -17.001 -14.806 -15.975 1.00 71.51 C +ANISOU 972 CB ILE B 34 8249 10155 8763 -593 156 -112 C +ATOM 973 CG1 ILE B 34 -17.270 -14.074 -17.281 1.00 80.00 C +ANISOU 973 CG1 ILE B 34 9439 11114 9843 -696 254 -73 C +ATOM 974 CG2 ILE B 34 -17.370 -13.876 -14.827 1.00 74.50 C +ANISOU 974 CG2 ILE B 34 8756 10405 9144 -770 88 -161 C +ATOM 975 CD1 ILE B 34 -18.763 -13.913 -17.553 1.00 74.26 C +ANISOU 975 CD1 ILE B 34 8970 10076 9167 -610 251 -68 C +ATOM 976 N ASP B 35 -15.021 -15.649 -13.537 1.00 61.68 N +ANISOU 976 N ASP B 35 6562 9464 7408 -566 -59 -146 N +ATOM 977 CA ASP B 35 -15.019 -16.414 -12.290 1.00 75.53 C +ANISOU 977 CA ASP B 35 8296 11276 9122 -414 -177 -152 C +ATOM 978 C ASP B 35 -16.098 -15.810 -11.437 1.00 67.96 C +ANISOU 978 C ASP B 35 7599 10051 8171 -525 -210 -201 C +ATOM 979 O ASP B 35 -16.004 -14.664 -11.028 1.00 71.36 O +ANISOU 979 O ASP B 35 8091 10448 8572 -786 -232 -255 O +ATOM 980 CB ASP B 35 -13.639 -16.434 -11.587 1.00 82.96 C +ANISOU 980 CB ASP B 35 8931 12609 9978 -475 -282 -144 C +ATOM 981 CG ASP B 35 -12.583 -17.205 -12.400 1.00 94.51 C +ANISOU 981 CG ASP B 35 10096 14387 11425 -270 -232 -89 C +ATOM 982 OD1 ASP B 35 -12.806 -18.403 -12.759 1.00 96.53 O +ANISOU 982 OD1 ASP B 35 10403 14579 11694 79 -201 -57 O +ATOM 983 OD2 ASP B 35 -11.544 -16.586 -12.714 1.00 99.59 O +ANISOU 983 OD2 ASP B 35 10468 15337 12033 -469 -215 -78 O +ATOM 984 N LEU B 36 -17.154 -16.583 -11.237 1.00 61.63 N +ANISOU 984 N LEU B 36 6966 9051 7399 -328 -200 -183 N +ATOM 985 CA LEU B 36 -18.261 -16.213 -10.383 1.00 56.78 C +ANISOU 985 CA LEU B 36 6568 8229 6777 -371 -208 -218 C +ATOM 986 C LEU B 36 -18.245 -17.129 -9.153 1.00 52.62 C +ANISOU 986 C LEU B 36 6041 7780 6171 -238 -300 -192 C +ATOM 987 O LEU B 36 -17.788 -18.261 -9.215 1.00 51.28 O +ANISOU 987 O LEU B 36 5782 7714 5987 -45 -339 -130 O +ATOM 988 CB LEU B 36 -19.602 -16.402 -11.121 1.00 60.32 C +ANISOU 988 CB LEU B 36 7183 8425 7309 -276 -120 -195 C +ATOM 989 CG LEU B 36 -19.852 -15.603 -12.408 1.00 57.54 C +ANISOU 989 CG LEU B 36 6878 7960 7022 -360 -36 -197 C +ATOM 990 CD1 LEU B 36 -21.213 -16.023 -13.015 1.00 57.02 C +ANISOU 990 CD1 LEU B 36 6941 7702 7020 -235 11 -162 C +ATOM 991 CD2 LEU B 36 -19.778 -14.120 -12.106 1.00 59.01 C +ANISOU 991 CD2 LEU B 36 7159 8073 7187 -580 -26 -256 C +ATOM 992 N PRO B 37 -18.782 -16.647 -8.045 1.00 49.77 N +ANISOU 992 N PRO B 37 5814 7352 5742 -321 -326 -238 N +ATOM 993 CA PRO B 37 -18.701 -17.404 -6.819 1.00 52.69 C +ANISOU 993 CA PRO B 37 6200 7815 6003 -225 -415 -204 C +ATOM 994 C PRO B 37 -19.633 -18.609 -6.877 1.00 53.75 C +ANISOU 994 C PRO B 37 6445 7807 6169 -30 -373 -116 C +ATOM 995 O PRO B 37 -20.659 -18.578 -7.575 1.00 52.82 O +ANISOU 995 O PRO B 37 6420 7504 6142 -22 -275 -109 O +ATOM 996 CB PRO B 37 -19.214 -16.410 -5.772 1.00 55.23 C +ANISOU 996 CB PRO B 37 6682 8069 6232 -380 -415 -294 C +ATOM 997 CG PRO B 37 -20.178 -15.544 -6.538 1.00 56.99 C +ANISOU 997 CG PRO B 37 7035 8061 6556 -438 -287 -341 C +ATOM 998 CD PRO B 37 -19.480 -15.359 -7.863 1.00 55.95 C +ANISOU 998 CD PRO B 37 6768 7965 6526 -486 -269 -323 C +ATOM 999 N TYR B 38 -19.264 -19.661 -6.164 1.00 51.10 N +ANISOU 999 N TYR B 38 6105 7561 5748 112 -458 -39 N +ATOM 1000 CA TYR B 38 -20.137 -20.809 -5.974 1.00 53.20 C +ANISOU 1000 CA TYR B 38 6529 7673 6010 243 -434 55 C +ATOM 1001 C TYR B 38 -19.656 -21.588 -4.747 1.00 54.18 C +ANISOU 1001 C TYR B 38 6693 7909 5982 349 -548 134 C +ATOM 1002 O TYR B 38 -18.582 -21.362 -4.322 1.00 49.82 O +ANISOU 1002 O TYR B 38 6003 7570 5353 362 -654 116 O +ATOM 1003 CB TYR B 38 -20.086 -21.734 -7.179 1.00 49.99 C +ANISOU 1003 CB TYR B 38 6125 7167 5701 391 -407 104 C +ATOM 1004 CG TYR B 38 -18.715 -22.275 -7.467 1.00 51.86 C +ANISOU 1004 CG TYR B 38 6213 7579 5912 569 -486 127 C +ATOM 1005 CD1 TYR B 38 -17.850 -21.585 -8.312 1.00 55.55 C +ANISOU 1005 CD1 TYR B 38 6471 8204 6429 528 -464 64 C +ATOM 1006 CD2 TYR B 38 -18.269 -23.505 -6.904 1.00 61.75 C +ANISOU 1006 CD2 TYR B 38 7532 8850 7078 796 -577 225 C +ATOM 1007 CE1 TYR B 38 -16.594 -22.086 -8.614 1.00 58.14 C +ANISOU 1007 CE1 TYR B 38 6611 8752 6728 714 -515 89 C +ATOM 1008 CE2 TYR B 38 -16.989 -24.012 -7.186 1.00 59.46 C +ANISOU 1008 CE2 TYR B 38 7079 8753 6757 1025 -645 249 C +ATOM 1009 CZ TYR B 38 -16.163 -23.294 -8.041 1.00 63.46 C +ANISOU 1009 CZ TYR B 38 7329 9462 7319 985 -607 177 C +ATOM 1010 OH TYR B 38 -14.891 -23.736 -8.343 1.00 72.30 O +ANISOU 1010 OH TYR B 38 8229 10837 8402 1217 -652 201 O +ATOM 1011 N SER B 39 -20.429 -22.569 -4.273 1.00 53.67 N +ANISOU 1011 N SER B 39 6815 7706 5871 420 -534 237 N +ATOM 1012 CA SER B 39 -19.980 -23.484 -3.243 1.00 53.24 C +ANISOU 1012 CA SER B 39 6845 7718 5665 553 -645 347 C +ATOM 1013 C SER B 39 -20.482 -24.911 -3.576 1.00 53.99 C +ANISOU 1013 C SER B 39 7143 7585 5782 691 -631 477 C +ATOM 1014 O SER B 39 -19.746 -25.715 -4.122 1.00 60.00 O +ANISOU 1014 O SER B 39 7905 8323 6567 901 -692 520 O +ATOM 1015 CB SER B 39 -20.438 -22.974 -1.880 1.00 54.47 C +ANISOU 1015 CB SER B 39 7088 7945 5660 422 -647 339 C +ATOM 1016 OG SER B 39 -19.961 -23.809 -0.856 1.00 58.10 O +ANISOU 1016 OG SER B 39 7640 8485 5947 547 -768 457 O +ATOM 1017 N CYS B 40 -21.745 -25.188 -3.303 1.00 53.52 N +ANISOU 1017 N CYS B 40 7259 7360 5714 563 -542 532 N +ATOM 1018 CA CYS B 40 -22.341 -26.502 -3.494 1.00 52.54 C +ANISOU 1018 CA CYS B 40 7371 6999 5591 607 -533 661 C +ATOM 1019 C CYS B 40 -22.554 -26.894 -4.990 1.00 54.29 C +ANISOU 1019 C CYS B 40 7615 7039 5972 636 -494 621 C +ATOM 1020 O CYS B 40 -22.599 -28.079 -5.354 1.00 56.18 O +ANISOU 1020 O CYS B 40 8070 7067 6206 733 -528 702 O +ATOM 1021 CB CYS B 40 -23.706 -26.493 -2.758 1.00 53.96 C +ANISOU 1021 CB CYS B 40 7670 7122 5708 390 -431 727 C +ATOM 1022 SG CYS B 40 -25.014 -25.506 -3.570 1.00 54.05 S +ANISOU 1022 SG CYS B 40 7540 7122 5874 175 -270 621 S +ATOM 1023 N ARG B 41 -22.745 -25.881 -5.830 1.00 55.21 N +ANISOU 1023 N ARG B 41 7548 7218 6210 539 -423 498 N +ATOM 1024 CA ARG B 41 -23.100 -26.036 -7.243 1.00 57.45 C +ANISOU 1024 CA ARG B 41 7842 7361 6623 525 -377 449 C +ATOM 1025 C ARG B 41 -24.289 -26.944 -7.426 1.00 53.39 C +ANISOU 1025 C ARG B 41 7544 6624 6118 400 -351 531 C +ATOM 1026 O ARG B 41 -24.325 -27.732 -8.363 1.00 57.10 O +ANISOU 1026 O ARG B 41 8153 6914 6628 449 -373 531 O +ATOM 1027 CB ARG B 41 -21.926 -26.568 -8.054 1.00 57.25 C +ANISOU 1027 CB ARG B 41 7805 7331 6614 765 -433 421 C +ATOM 1028 CG ARG B 41 -20.730 -25.656 -8.128 1.00 63.18 C +ANISOU 1028 CG ARG B 41 8288 8346 7369 845 -452 341 C +ATOM 1029 CD ARG B 41 -19.678 -26.364 -8.976 1.00 72.83 C +ANISOU 1029 CD ARG B 41 9491 9584 8595 1112 -481 331 C +ATOM 1030 NE ARG B 41 -20.005 -26.268 -10.416 1.00 66.24 N +ANISOU 1030 NE ARG B 41 8672 8642 7853 1080 -399 256 N +ATOM 1031 CZ ARG B 41 -19.501 -25.337 -11.206 1.00 60.12 C +ANISOU 1031 CZ ARG B 41 7679 8033 7131 1040 -342 173 C +ATOM 1032 NH1 ARG B 41 -18.683 -24.440 -10.693 1.00 58.08 N +ANISOU 1032 NH1 ARG B 41 7175 8038 6852 995 -361 150 N +ATOM 1033 NH2 ARG B 41 -19.820 -25.271 -12.489 1.00 59.63 N +ANISOU 1033 NH2 ARG B 41 7655 7877 7124 1014 -273 118 N +ATOM 1034 N ALA B 42 -25.254 -26.842 -6.528 1.00 50.75 N +ANISOU 1034 N ALA B 42 7240 6313 5731 225 -301 598 N +ATOM 1035 CA ALA B 42 -26.322 -27.854 -6.466 1.00 55.82 C +ANISOU 1035 CA ALA B 42 8087 6773 6348 63 -286 714 C +ATOM 1036 C ALA B 42 -27.689 -27.296 -6.092 1.00 53.85 C +ANISOU 1036 C ALA B 42 7723 6630 6105 -178 -176 738 C +ATOM 1037 O ALA B 42 -28.646 -28.060 -5.838 1.00 55.78 O +ANISOU 1037 O ALA B 42 8091 6791 6308 -370 -150 854 O +ATOM 1038 CB ALA B 42 -25.919 -28.950 -5.457 1.00 58.15 C +ANISOU 1038 CB ALA B 42 8635 6960 6496 141 -354 856 C +ATOM 1039 N GLY B 43 -27.766 -25.976 -6.007 1.00 52.94 N +ANISOU 1039 N GLY B 43 7380 6706 6028 -168 -108 636 N +ATOM 1040 CA GLY B 43 -29.019 -25.311 -5.704 1.00 57.58 C +ANISOU 1040 CA GLY B 43 7828 7426 6621 -321 9 641 C +ATOM 1041 C GLY B 43 -29.393 -25.157 -4.247 1.00 56.47 C +ANISOU 1041 C GLY B 43 7699 7426 6330 -371 90 705 C +ATOM 1042 O GLY B 43 -30.490 -24.676 -3.919 1.00 61.40 O +ANISOU 1042 O GLY B 43 8200 8190 6936 -473 214 718 O +ATOM 1043 N SER B 44 -28.507 -25.552 -3.359 1.00 57.15 N +ANISOU 1043 N SER B 44 7922 7502 6288 -282 25 748 N +ATOM 1044 CA SER B 44 -28.864 -25.573 -1.947 1.00 60.58 C +ANISOU 1044 CA SER B 44 8415 8061 6539 -340 95 828 C +ATOM 1045 C SER B 44 -28.070 -24.590 -1.083 1.00 55.02 C +ANISOU 1045 C SER B 44 7667 7512 5724 -218 81 721 C +ATOM 1046 O SER B 44 -27.939 -24.770 0.117 1.00 56.43 O +ANISOU 1046 O SER B 44 7952 7776 5712 -219 84 785 O +ATOM 1047 CB SER B 44 -28.724 -26.997 -1.455 1.00 64.11 C +ANISOU 1047 CB SER B 44 9118 8363 6875 -384 27 1009 C +ATOM 1048 OG SER B 44 -27.369 -27.403 -1.576 1.00 72.90 O +ANISOU 1048 OG SER B 44 10341 9378 7978 -177 -128 997 O +ATOM 1049 N CYS B 45 -27.538 -23.526 -1.680 1.00 50.30 N +ANISOU 1049 N CYS B 45 6932 6949 5228 -137 60 559 N +ATOM 1050 CA CYS B 45 -26.911 -22.490 -0.877 1.00 49.85 C +ANISOU 1050 CA CYS B 45 6852 7028 5060 -85 47 441 C +ATOM 1051 C CYS B 45 -27.172 -21.136 -1.520 1.00 51.33 C +ANISOU 1051 C CYS B 45 6911 7228 5361 -83 119 279 C +ATOM 1052 O CYS B 45 -27.967 -21.005 -2.440 1.00 55.12 O +ANISOU 1052 O CYS B 45 7307 7650 5984 -106 191 278 O +ATOM 1053 CB CYS B 45 -25.390 -22.791 -0.653 1.00 48.86 C +ANISOU 1053 CB CYS B 45 6762 6928 4874 20 -134 439 C +ATOM 1054 SG CYS B 45 -24.160 -22.368 -1.931 1.00 53.35 S +ANISOU 1054 SG CYS B 45 7176 7476 5616 105 -244 330 S +ATOM 1055 N SER B 46 -26.488 -20.125 -1.034 1.00 50.33 N +ANISOU 1055 N SER B 46 6793 7170 5158 -63 86 148 N +ATOM 1056 CA SER B 46 -26.687 -18.804 -1.525 1.00 53.49 C +ANISOU 1056 CA SER B 46 7146 7540 5638 -62 151 0 C +ATOM 1057 C SER B 46 -25.436 -18.250 -2.234 1.00 51.56 C +ANISOU 1057 C SER B 46 6851 7262 5478 -77 28 -89 C +ATOM 1058 O SER B 46 -25.397 -17.049 -2.580 1.00 51.57 O +ANISOU 1058 O SER B 46 6861 7210 5522 -105 60 -215 O +ATOM 1059 CB SER B 46 -27.077 -17.908 -0.321 1.00 54.94 C +ANISOU 1059 CB SER B 46 7434 7804 5634 -60 242 -100 C +ATOM 1060 OG SER B 46 -25.958 -17.693 0.515 1.00 59.45 O +ANISOU 1060 OG SER B 46 8091 8449 6049 -97 114 -164 O +ATOM 1061 N SER B 47 -24.417 -19.082 -2.465 1.00 50.22 N +ANISOU 1061 N SER B 47 6631 7124 5322 -52 -104 -22 N +ATOM 1062 CA SER B 47 -23.104 -18.545 -2.910 1.00 53.80 C +ANISOU 1062 CA SER B 47 6993 7634 5811 -82 -216 -100 C +ATOM 1063 C SER B 47 -23.102 -17.974 -4.299 1.00 49.57 C +ANISOU 1063 C SER B 47 6378 7002 5454 -106 -173 -147 C +ATOM 1064 O SER B 47 -22.409 -17.004 -4.556 1.00 47.90 O +ANISOU 1064 O SER B 47 6131 6812 5254 -198 -204 -242 O +ATOM 1065 CB SER B 47 -21.985 -19.587 -2.863 1.00 55.00 C +ANISOU 1065 CB SER B 47 7072 7893 5931 4 -358 -10 C +ATOM 1066 OG SER B 47 -21.799 -19.986 -1.539 1.00 67.17 O +ANISOU 1066 OG SER B 47 8697 9542 7281 24 -428 35 O +ATOM 1067 N CYS B 48 -23.836 -18.597 -5.210 1.00 47.83 N +ANISOU 1067 N CYS B 48 6142 6677 5355 -48 -112 -75 N +ATOM 1068 CA CYS B 48 -23.825 -18.180 -6.626 1.00 44.63 C +ANISOU 1068 CA CYS B 48 5671 6187 5098 -57 -82 -102 C +ATOM 1069 C CYS B 48 -25.021 -17.249 -6.959 1.00 50.82 C +ANISOU 1069 C CYS B 48 6502 6866 5939 -77 30 -146 C +ATOM 1070 O CYS B 48 -25.428 -17.128 -8.127 1.00 51.63 O +ANISOU 1070 O CYS B 48 6573 6888 6154 -61 61 -130 O +ATOM 1071 CB CYS B 48 -23.944 -19.426 -7.480 1.00 41.68 C +ANISOU 1071 CB CYS B 48 5279 5758 4800 24 -100 -7 C +ATOM 1072 SG CYS B 48 -25.514 -20.250 -7.174 1.00 47.58 S +ANISOU 1072 SG CYS B 48 6110 6423 5543 17 -32 87 S +ATOM 1073 N ALA B 49 -25.604 -16.621 -5.943 1.00 49.42 N +ANISOU 1073 N ALA B 49 6406 6702 5668 -83 90 -197 N +ATOM 1074 CA ALA B 49 -26.803 -15.852 -6.145 1.00 47.37 C +ANISOU 1074 CA ALA B 49 6180 6371 5446 -34 205 -227 C +ATOM 1075 C ALA B 49 -26.501 -14.656 -7.025 1.00 46.14 C +ANISOU 1075 C ALA B 49 6068 6096 5364 -55 208 -304 C +ATOM 1076 O ALA B 49 -25.486 -13.952 -6.837 1.00 47.19 O +ANISOU 1076 O ALA B 49 6266 6210 5452 -154 153 -386 O +ATOM 1077 CB ALA B 49 -27.369 -15.388 -4.811 1.00 48.90 C +ANISOU 1077 CB ALA B 49 6469 6616 5493 -1 286 -284 C +ATOM 1078 N GLY B 50 -27.414 -14.412 -7.959 1.00 46.35 N +ANISOU 1078 N GLY B 50 6066 6052 5491 20 266 -269 N +ATOM 1079 CA GLY B 50 -27.486 -13.112 -8.644 1.00 47.72 C +ANISOU 1079 CA GLY B 50 6340 6080 5709 42 296 -328 C +ATOM 1080 C GLY B 50 -28.933 -12.665 -8.683 1.00 52.51 C +ANISOU 1080 C GLY B 50 6951 6666 6333 212 397 -314 C +ATOM 1081 O GLY B 50 -29.796 -13.183 -7.949 1.00 51.98 O +ANISOU 1081 O GLY B 50 6805 6723 6220 284 461 -282 O +ATOM 1082 N LYS B 51 -29.194 -11.690 -9.542 1.00 56.73 N +ANISOU 1082 N LYS B 51 7570 7061 6924 284 413 -325 N +ATOM 1083 CA LYS B 51 -30.512 -11.104 -9.670 1.00 58.00 C +ANISOU 1083 CA LYS B 51 7730 7209 7099 498 500 -309 C +ATOM 1084 C LYS B 51 -30.801 -10.888 -11.160 1.00 51.95 C +ANISOU 1084 C LYS B 51 6929 6374 6435 547 454 -226 C +ATOM 1085 O LYS B 51 -30.004 -10.302 -11.879 1.00 52.34 O +ANISOU 1085 O LYS B 51 7113 6268 6503 462 408 -238 O +ATOM 1086 CB LYS B 51 -30.496 -9.813 -8.890 1.00 62.10 C +ANISOU 1086 CB LYS B 51 8498 7573 7524 591 570 -437 C +ATOM 1087 CG LYS B 51 -31.824 -9.123 -8.706 1.00 71.92 C +ANISOU 1087 CG LYS B 51 9764 8816 8744 885 686 -447 C +ATOM 1088 CD LYS B 51 -31.618 -8.015 -7.667 1.00 84.43 C +ANISOU 1088 CD LYS B 51 11656 10230 10191 959 758 -609 C +ATOM 1089 CE LYS B 51 -32.841 -7.727 -6.792 1.00 94.36 C +ANISOU 1089 CE LYS B 51 12897 11600 11354 1256 917 -653 C +ATOM 1090 NZ LYS B 51 -33.550 -6.484 -7.218 1.00 96.90 N +ANISOU 1090 NZ LYS B 51 13408 11730 11677 1566 985 -687 N +ATOM 1091 N VAL B 52 -31.914 -11.423 -11.620 1.00 50.92 N +ANISOU 1091 N VAL B 52 6608 6386 6353 653 460 -133 N +ATOM 1092 CA VAL B 52 -32.367 -11.250 -12.978 1.00 51.68 C +ANISOU 1092 CA VAL B 52 6658 6458 6518 721 403 -47 C +ATOM 1093 C VAL B 52 -32.869 -9.817 -13.125 1.00 55.73 C +ANISOU 1093 C VAL B 52 7340 6819 7014 951 455 -71 C +ATOM 1094 O VAL B 52 -33.750 -9.385 -12.411 1.00 58.68 O +ANISOU 1094 O VAL B 52 7692 7253 7351 1160 545 -97 O +ATOM 1095 CB VAL B 52 -33.490 -12.237 -13.328 1.00 54.96 C +ANISOU 1095 CB VAL B 52 6806 7103 6972 744 375 55 C +ATOM 1096 CG1 VAL B 52 -34.003 -12.011 -14.775 1.00 52.68 C +ANISOU 1096 CG1 VAL B 52 6472 6811 6730 819 290 142 C +ATOM 1097 CG2 VAL B 52 -33.016 -13.669 -13.135 1.00 50.23 C +ANISOU 1097 CG2 VAL B 52 6115 6592 6375 524 325 77 C +ATOM 1098 N VAL B 53 -32.237 -9.071 -14.009 1.00 58.89 N +ANISOU 1098 N VAL B 53 7936 7012 7426 915 408 -62 N +ATOM 1099 CA VAL B 53 -32.688 -7.736 -14.395 1.00 62.70 C +ANISOU 1099 CA VAL B 53 8634 7295 7891 1137 434 -54 C +ATOM 1100 C VAL B 53 -33.762 -7.758 -15.502 1.00 61.16 C +ANISOU 1100 C VAL B 53 8295 7206 7737 1336 378 79 C +ATOM 1101 O VAL B 53 -34.656 -6.932 -15.513 1.00 69.08 O +ANISOU 1101 O VAL B 53 9355 8170 8723 1636 413 102 O +ATOM 1102 CB VAL B 53 -31.492 -6.995 -14.961 1.00 67.39 C +ANISOU 1102 CB VAL B 53 9512 7623 8467 954 398 -72 C +ATOM 1103 CG1 VAL B 53 -31.901 -5.593 -15.416 1.00 75.74 C +ANISOU 1103 CG1 VAL B 53 10871 8410 9495 1168 416 -46 C +ATOM 1104 CG2 VAL B 53 -30.375 -6.982 -13.920 1.00 67.44 C +ANISOU 1104 CG2 VAL B 53 9626 7572 8426 722 423 -198 C +ATOM 1105 N SER B 54 -33.617 -8.645 -16.484 1.00 54.51 N +ANISOU 1105 N SER B 54 7294 6485 6931 1182 280 163 N +ATOM 1106 CA SER B 54 -34.604 -8.785 -17.528 1.00 57.42 C +ANISOU 1106 CA SER B 54 7508 6990 7316 1325 196 285 C +ATOM 1107 C SER B 54 -34.480 -10.128 -18.163 1.00 49.00 C +ANISOU 1107 C SER B 54 6241 6104 6271 1103 103 329 C +ATOM 1108 O SER B 54 -33.420 -10.732 -18.126 1.00 48.61 O +ANISOU 1108 O SER B 54 6245 6001 6221 872 101 279 O +ATOM 1109 CB SER B 54 -34.457 -7.676 -18.615 1.00 67.92 C +ANISOU 1109 CB SER B 54 9097 8093 8615 1441 149 357 C +ATOM 1110 OG SER B 54 -33.212 -7.732 -19.310 1.00 68.84 O +ANISOU 1110 OG SER B 54 9383 8061 8712 1181 119 358 O +ATOM 1111 N GLY B 55 -35.568 -10.582 -18.760 1.00 49.29 N +ANISOU 1111 N GLY B 55 6054 6357 6315 1182 19 420 N +ATOM 1112 CA GLY B 55 -35.709 -11.925 -19.288 1.00 50.10 C +ANISOU 1112 CA GLY B 55 5974 6638 6423 971 -80 453 C +ATOM 1113 C GLY B 55 -36.015 -12.954 -18.190 1.00 54.88 C +ANISOU 1113 C GLY B 55 6384 7412 7052 843 -31 418 C +ATOM 1114 O GLY B 55 -36.357 -12.606 -17.055 1.00 51.85 O +ANISOU 1114 O GLY B 55 5948 7078 6673 954 81 384 O +ATOM 1115 N SER B 56 -35.910 -14.235 -18.540 1.00 52.05 N +ANISOU 1115 N SER B 56 5952 7132 6691 610 -114 429 N +ATOM 1116 CA SER B 56 -36.309 -15.287 -17.628 1.00 53.81 C +ANISOU 1116 CA SER B 56 6017 7504 6924 461 -86 428 C +ATOM 1117 C SER B 56 -35.313 -16.444 -17.548 1.00 48.18 C +ANISOU 1117 C SER B 56 5432 6672 6199 230 -112 379 C +ATOM 1118 O SER B 56 -34.496 -16.695 -18.438 1.00 51.01 O +ANISOU 1118 O SER B 56 5943 6898 6540 166 -175 352 O +ATOM 1119 CB SER B 56 -37.721 -15.783 -17.988 1.00 54.48 C +ANISOU 1119 CB SER B 56 5818 7872 7006 422 -173 525 C +ATOM 1120 OG SER B 56 -37.776 -16.208 -19.330 1.00 61.00 O +ANISOU 1120 OG SER B 56 6673 8698 7805 316 -335 559 O +ATOM 1121 N VAL B 57 -35.377 -17.125 -16.430 1.00 52.89 N +ANISOU 1121 N VAL B 57 5977 7324 6794 133 -50 372 N +ATOM 1122 CA VAL B 57 -34.589 -18.335 -16.192 1.00 52.55 C +ANISOU 1122 CA VAL B 57 6056 7179 6732 -51 -77 346 C +ATOM 1123 C VAL B 57 -35.550 -19.389 -15.674 1.00 55.14 C +ANISOU 1123 C VAL B 57 6247 7658 7045 -229 -95 418 C +ATOM 1124 O VAL B 57 -36.603 -19.052 -15.133 1.00 53.51 O +ANISOU 1124 O VAL B 57 5830 7660 6841 -192 -35 473 O +ATOM 1125 CB VAL B 57 -33.487 -18.134 -15.162 1.00 52.68 C +ANISOU 1125 CB VAL B 57 6199 7082 6734 -9 13 278 C +ATOM 1126 CG1 VAL B 57 -32.429 -17.171 -15.703 1.00 51.20 C +ANISOU 1126 CG1 VAL B 57 6147 6751 6553 92 24 213 C +ATOM 1127 CG2 VAL B 57 -34.091 -17.723 -13.810 1.00 53.07 C +ANISOU 1127 CG2 VAL B 57 6147 7252 6763 53 130 286 C +ATOM 1128 N ASP B 58 -35.198 -20.651 -15.913 1.00 54.40 N +ANISOU 1128 N ASP B 58 6283 7459 6926 -420 -174 422 N +ATOM 1129 CA ASP B 58 -35.847 -21.810 -15.319 1.00 52.99 C +ANISOU 1129 CA ASP B 58 6069 7345 6718 -650 -190 493 C +ATOM 1130 C ASP B 58 -34.894 -22.245 -14.184 1.00 50.66 C +ANISOU 1130 C ASP B 58 5942 6913 6390 -637 -113 472 C +ATOM 1131 O ASP B 58 -33.754 -22.666 -14.424 1.00 47.29 O +ANISOU 1131 O ASP B 58 5729 6287 5951 -598 -150 415 O +ATOM 1132 CB ASP B 58 -36.003 -22.916 -16.375 1.00 56.52 C +ANISOU 1132 CB ASP B 58 6638 7699 7137 -861 -345 501 C +ATOM 1133 CG ASP B 58 -36.384 -24.259 -15.771 1.00 65.37 C +ANISOU 1133 CG ASP B 58 7842 8781 8214 -1139 -373 568 C +ATOM 1134 OD1 ASP B 58 -36.846 -24.290 -14.603 1.00 66.65 O +ANISOU 1134 OD1 ASP B 58 7883 9073 8365 -1194 -270 640 O +ATOM 1135 OD2 ASP B 58 -36.259 -25.280 -16.483 1.00 70.20 O +ANISOU 1135 OD2 ASP B 58 8664 9224 8785 -1310 -494 551 O +ATOM 1136 N GLN B 59 -35.324 -22.089 -12.942 1.00 54.05 N +ANISOU 1136 N GLN B 59 6267 7475 6792 -640 -1 517 N +ATOM 1137 CA GLN B 59 -34.515 -22.555 -11.829 1.00 56.53 C +ANISOU 1137 CA GLN B 59 6742 7686 7049 -640 51 516 C +ATOM 1138 C GLN B 59 -35.268 -23.486 -10.889 1.00 59.14 C +ANISOU 1138 C GLN B 59 7050 8107 7313 -851 94 632 C +ATOM 1139 O GLN B 59 -35.188 -23.390 -9.661 1.00 65.41 O +ANISOU 1139 O GLN B 59 7848 8966 8035 -822 198 658 O +ATOM 1140 CB GLN B 59 -33.848 -21.372 -11.086 1.00 52.52 C +ANISOU 1140 CB GLN B 59 6227 7196 6529 -422 151 436 C +ATOM 1141 CG GLN B 59 -34.803 -20.396 -10.480 1.00 52.17 C +ANISOU 1141 CG GLN B 59 5988 7361 6471 -326 274 442 C +ATOM 1142 CD GLN B 59 -34.109 -19.292 -9.719 1.00 53.41 C +ANISOU 1142 CD GLN B 59 6218 7483 6592 -139 359 343 C +ATOM 1143 OE1 GLN B 59 -33.067 -19.483 -9.016 1.00 53.43 O +ANISOU 1143 OE1 GLN B 59 6375 7387 6535 -140 352 304 O +ATOM 1144 NE2 GLN B 59 -34.697 -18.133 -9.795 1.00 52.42 N +ANISOU 1144 NE2 GLN B 59 5992 7441 6483 26 432 304 N +ATOM 1145 N SER B 60 -35.956 -24.435 -11.476 1.00 61.58 N +ANISOU 1145 N SER B 60 7365 8407 7623 -1092 6 703 N +ATOM 1146 CA SER B 60 -36.740 -25.363 -10.706 1.00 72.30 C +ANISOU 1146 CA SER B 60 8709 9847 8911 -1360 39 834 C +ATOM 1147 C SER B 60 -35.825 -26.402 -10.017 1.00 74.05 C +ANISOU 1147 C SER B 60 9269 9808 9057 -1412 17 868 C +ATOM 1148 O SER B 60 -36.221 -27.047 -9.059 1.00 79.84 O +ANISOU 1148 O SER B 60 10049 10581 9705 -1588 76 985 O +ATOM 1149 CB SER B 60 -37.836 -25.999 -11.579 1.00 70.49 C +ANISOU 1149 CB SER B 60 8372 9709 8700 -1655 -64 902 C +ATOM 1150 OG SER B 60 -37.380 -26.382 -12.862 1.00 66.63 O +ANISOU 1150 OG SER B 60 8069 9001 8245 -1672 -224 825 O +ATOM 1151 N ASP B 61 -34.586 -26.497 -10.469 1.00 73.32 N +ANISOU 1151 N ASP B 61 9398 9476 8984 -1231 -57 775 N +ATOM 1152 CA ASP B 61 -33.572 -27.336 -9.811 1.00 80.97 C +ANISOU 1152 CA ASP B 61 10666 10220 9879 -1177 -83 802 C +ATOM 1153 C ASP B 61 -32.954 -26.686 -8.541 1.00 78.11 C +ANISOU 1153 C ASP B 61 10262 9960 9455 -993 15 795 C +ATOM 1154 O ASP B 61 -32.067 -27.263 -7.927 1.00 77.14 O +ANISOU 1154 O ASP B 61 10352 9697 9259 -910 -16 823 O +ATOM 1155 CB ASP B 61 -32.442 -27.683 -10.824 1.00 80.12 C +ANISOU 1155 CB ASP B 61 10771 9865 9803 -1012 -194 700 C +ATOM 1156 CG ASP B 61 -32.957 -28.443 -12.071 1.00 80.27 C +ANISOU 1156 CG ASP B 61 10914 9741 9842 -1194 -306 687 C +ATOM 1157 OD1 ASP B 61 -34.142 -28.856 -12.081 1.00 92.44 O +ANISOU 1157 OD1 ASP B 61 12396 11355 11371 -1491 -323 772 O +ATOM 1158 OD2 ASP B 61 -32.182 -28.623 -13.047 1.00 76.90 O +ANISOU 1158 OD2 ASP B 61 10638 9149 9429 -1052 -377 588 O +ATOM 1159 N GLN B 62 -33.390 -25.476 -8.178 1.00 79.30 N +ANISOU 1159 N GLN B 62 10161 10347 9623 -909 123 751 N +ATOM 1160 CA GLN B 62 -32.867 -24.772 -7.012 1.00 68.13 C +ANISOU 1160 CA GLN B 62 8730 9027 8129 -755 210 719 C +ATOM 1161 C GLN B 62 -33.726 -25.126 -5.824 1.00 70.39 C +ANISOU 1161 C GLN B 62 8983 9467 8294 -906 322 843 C +ATOM 1162 O GLN B 62 -34.807 -25.613 -6.012 1.00 70.22 O +ANISOU 1162 O GLN B 62 8868 9532 8279 -1119 351 940 O +ATOM 1163 CB GLN B 62 -32.896 -23.248 -7.236 1.00 67.38 C +ANISOU 1163 CB GLN B 62 8445 9063 8093 -577 276 593 C +ATOM 1164 CG GLN B 62 -34.246 -22.561 -6.972 1.00 69.55 C +ANISOU 1164 CG GLN B 62 8479 9582 8363 -600 408 617 C +ATOM 1165 CD GLN B 62 -34.463 -22.057 -5.534 1.00 62.14 C +ANISOU 1165 CD GLN B 62 7513 8808 7289 -536 557 618 C +ATOM 1166 OE1 GLN B 62 -33.521 -21.731 -4.823 1.00 54.90 O +ANISOU 1166 OE1 GLN B 62 6736 7827 6294 -429 553 551 O +ATOM 1167 NE2 GLN B 62 -35.725 -21.958 -5.128 1.00 63.75 N +ANISOU 1167 NE2 GLN B 62 7519 9253 7449 -599 689 690 N +ATOM 1168 N SER B 63 -33.270 -24.812 -4.615 1.00 70.67 N +ANISOU 1168 N SER B 63 9076 9569 8205 -808 389 839 N +ATOM 1169 CA SER B 63 -34.035 -25.114 -3.403 1.00 75.26 C +ANISOU 1169 CA SER B 63 9643 10319 8633 -940 519 961 C +ATOM 1170 C SER B 63 -33.862 -24.131 -2.248 1.00 70.31 C +ANISOU 1170 C SER B 63 8977 9863 7874 -780 639 888 C +ATOM 1171 O SER B 63 -34.598 -24.210 -1.268 1.00 78.27 O +ANISOU 1171 O SER B 63 9939 11060 8737 -863 783 973 O +ATOM 1172 CB SER B 63 -33.622 -26.492 -2.865 1.00 78.05 C +ANISOU 1172 CB SER B 63 10283 10493 8878 -1077 445 1110 C +ATOM 1173 OG SER B 63 -32.682 -26.352 -1.790 1.00 90.02 O +ANISOU 1173 OG SER B 63 11950 12004 10249 -923 435 1099 O +ATOM 1174 N PHE B 64 -32.871 -23.255 -2.316 1.00 65.41 N +ANISOU 1174 N PHE B 64 8394 9180 7277 -573 583 734 N +ATOM 1175 CA PHE B 64 -32.513 -22.466 -1.160 1.00 66.55 C +ANISOU 1175 CA PHE B 64 8587 9435 7264 -453 656 655 C +ATOM 1176 C PHE B 64 -33.316 -21.199 -1.122 1.00 68.15 C +ANISOU 1176 C PHE B 64 8618 9800 7476 -340 809 543 C +ATOM 1177 O PHE B 64 -33.653 -20.718 -0.042 1.00 74.02 O +ANISOU 1177 O PHE B 64 9375 10700 8049 -284 945 514 O +ATOM 1178 CB PHE B 64 -31.016 -22.107 -1.193 1.00 68.74 C +ANISOU 1178 CB PHE B 64 8990 9582 7543 -323 508 542 C +ATOM 1179 CG PHE B 64 -30.513 -21.437 0.066 1.00 66.26 C +ANISOU 1179 CG PHE B 64 8771 9370 7032 -245 537 461 C +ATOM 1180 CD1 PHE B 64 -30.170 -22.204 1.194 1.00 72.14 C +ANISOU 1180 CD1 PHE B 64 9675 10158 7576 -288 506 569 C +ATOM 1181 CD2 PHE B 64 -30.367 -20.052 0.126 1.00 68.69 C +ANISOU 1181 CD2 PHE B 64 9050 9711 7337 -137 581 279 C +ATOM 1182 CE1 PHE B 64 -29.710 -21.588 2.347 1.00 71.63 C +ANISOU 1182 CE1 PHE B 64 9709 10202 7302 -228 515 487 C +ATOM 1183 CE2 PHE B 64 -29.898 -19.430 1.275 1.00 69.45 C +ANISOU 1183 CE2 PHE B 64 9273 9885 7231 -91 592 184 C +ATOM 1184 CZ PHE B 64 -29.571 -20.192 2.381 1.00 72.58 C +ANISOU 1184 CZ PHE B 64 9799 10357 7420 -139 555 283 C +ATOM 1185 N LEU B 65 -33.564 -20.610 -2.286 1.00 63.83 N +ANISOU 1185 N LEU B 65 7937 9206 7106 -274 785 473 N +ATOM 1186 CA LEU B 65 -34.355 -19.387 -2.350 1.00 66.16 C +ANISOU 1186 CA LEU B 65 8089 9630 7419 -115 921 375 C +ATOM 1187 C LEU B 65 -35.835 -19.702 -2.078 1.00 70.47 C +ANISOU 1187 C LEU B 65 8411 10440 7921 -180 1083 494 C +ATOM 1188 O LEU B 65 -36.350 -20.690 -2.636 1.00 62.63 O +ANISOU 1188 O LEU B 65 7317 9477 7002 -379 1035 634 O +ATOM 1189 CB LEU B 65 -34.235 -18.733 -3.729 1.00 59.60 C +ANISOU 1189 CB LEU B 65 7191 8674 6779 -25 837 299 C +ATOM 1190 CG LEU B 65 -32.861 -18.246 -4.188 1.00 57.76 C +ANISOU 1190 CG LEU B 65 7120 8221 6602 27 700 183 C +ATOM 1191 CD1 LEU B 65 -32.917 -17.582 -5.576 1.00 57.81 C +ANISOU 1191 CD1 LEU B 65 7061 8127 6775 102 646 135 C +ATOM 1192 CD2 LEU B 65 -32.327 -17.275 -3.169 1.00 54.39 C +ANISOU 1192 CD2 LEU B 65 6839 7788 6036 131 752 49 C +ATOM 1193 N ASP B 66 -36.487 -18.860 -1.244 1.00 74.89 N +ANISOU 1193 N ASP B 66 8903 11198 8353 -19 1274 433 N +ATOM 1194 CA ASP B 66 -37.951 -18.868 -1.031 1.00 83.97 C +ANISOU 1194 CA ASP B 66 9768 12675 9461 -11 1464 525 C +ATOM 1195 C ASP B 66 -38.674 -18.077 -2.147 1.00 89.05 C +ANISOU 1195 C ASP B 66 10182 13382 10272 163 1465 482 C +ATOM 1196 O ASP B 66 -38.020 -17.512 -3.028 1.00 82.08 O +ANISOU 1196 O ASP B 66 9403 12261 9520 266 1329 383 O +ATOM 1197 CB ASP B 66 -38.358 -18.435 0.427 1.00 96.74 C +ANISOU 1197 CB ASP B 66 11411 14515 10828 108 1694 490 C +ATOM 1198 CG ASP B 66 -37.950 -16.966 0.829 1.00101.11 C +ANISOU 1198 CG ASP B 66 12141 14972 11304 434 1759 259 C +ATOM 1199 OD1 ASP B 66 -37.822 -16.062 -0.014 1.00103.38 O +ANISOU 1199 OD1 ASP B 66 12437 15111 11732 617 1698 145 O +ATOM 1200 OD2 ASP B 66 -37.801 -16.698 2.048 1.00107.31 O +ANISOU 1200 OD2 ASP B 66 13086 15829 11857 502 1880 192 O +ATOM 1201 N ASP B 67 -40.005 -18.040 -2.158 1.00 86.95 N +ANISOU 1201 N ASP B 67 9589 13450 9995 197 1609 569 N +ATOM 1202 CA ASP B 67 -40.677 -17.431 -3.312 1.00 90.53 C +ANISOU 1202 CA ASP B 67 9811 13977 10608 358 1567 559 C +ATOM 1203 C ASP B 67 -40.717 -15.891 -3.254 1.00 86.24 C +ANISOU 1203 C ASP B 67 9333 13386 10046 784 1662 390 C +ATOM 1204 O ASP B 67 -40.642 -15.233 -4.281 1.00 81.53 O +ANISOU 1204 O ASP B 67 8742 12650 9585 940 1557 340 O +ATOM 1205 CB ASP B 67 -42.050 -18.071 -3.552 1.00102.24 C +ANISOU 1205 CB ASP B 67 10878 15858 12109 201 1632 735 C +ATOM 1206 CG ASP B 67 -41.961 -19.594 -3.777 1.00110.12 C +ANISOU 1206 CG ASP B 67 11890 16814 13135 -260 1502 895 C +ATOM 1207 OD1 ASP B 67 -41.291 -20.027 -4.737 1.00 98.84 O +ANISOU 1207 OD1 ASP B 67 10618 15101 11835 -390 1286 884 O +ATOM 1208 OD2 ASP B 67 -42.569 -20.364 -2.992 1.00123.31 O +ANISOU 1208 OD2 ASP B 67 13438 18728 14684 -494 1624 1033 O +ATOM 1209 N GLU B 68 -40.822 -15.309 -2.066 1.00 91.45 N +ANISOU 1209 N GLU B 68 10086 14137 10521 974 1859 301 N +ATOM 1210 CA GLU B 68 -40.562 -13.877 -1.887 1.00 92.79 C +ANISOU 1210 CA GLU B 68 10476 14135 10644 1350 1926 105 C +ATOM 1211 C GLU B 68 -39.357 -13.490 -2.763 1.00 88.95 C +ANISOU 1211 C GLU B 68 10277 13221 10296 1308 1700 12 C +ATOM 1212 O GLU B 68 -39.451 -12.586 -3.592 1.00 86.77 O +ANISOU 1212 O GLU B 68 10035 12811 10122 1529 1655 -46 O +ATOM 1213 CB GLU B 68 -40.252 -13.581 -0.409 1.00103.28 C +ANISOU 1213 CB GLU B 68 12042 15476 11725 1425 2090 -9 C +ATOM 1214 CG GLU B 68 -39.658 -12.210 -0.110 1.00110.78 C +ANISOU 1214 CG GLU B 68 13356 16139 12594 1717 2114 -242 C +ATOM 1215 CD GLU B 68 -40.711 -11.114 -0.156 1.00127.27 C +ANISOU 1215 CD GLU B 68 15344 18364 14648 2164 2303 -314 C +ATOM 1216 OE1 GLU B 68 -41.594 -11.091 0.736 1.00128.34 O +ANISOU 1216 OE1 GLU B 68 15322 18834 14608 2332 2547 -306 O +ATOM 1217 OE2 GLU B 68 -40.658 -10.276 -1.086 1.00135.31 O +ANISOU 1217 OE2 GLU B 68 16444 19164 15804 2367 2214 -371 O +ATOM 1218 N GLN B 69 -38.246 -14.206 -2.567 1.00 72.49 N +ANISOU 1218 N GLN B 69 8389 10950 8204 1029 1565 15 N +ATOM 1219 CA GLN B 69 -36.950 -13.911 -3.200 1.00 73.21 C +ANISOU 1219 CA GLN B 69 8740 10685 8389 958 1373 -72 C +ATOM 1220 C GLN B 69 -36.830 -14.132 -4.727 1.00 65.48 C +ANISOU 1220 C GLN B 69 7666 9593 7621 882 1203 -2 C +ATOM 1221 O GLN B 69 -36.176 -13.383 -5.439 1.00 63.34 O +ANISOU 1221 O GLN B 69 7557 9080 7428 951 1109 -83 O +ATOM 1222 CB GLN B 69 -35.889 -14.744 -2.517 1.00 75.50 C +ANISOU 1222 CB GLN B 69 9196 10892 8596 710 1285 -63 C +ATOM 1223 CG GLN B 69 -35.602 -14.267 -1.103 1.00 78.45 C +ANISOU 1223 CG GLN B 69 9777 11287 8741 786 1396 -180 C +ATOM 1224 CD GLN B 69 -34.680 -15.215 -0.356 1.00 80.20 C +ANISOU 1224 CD GLN B 69 10125 11490 8855 555 1301 -133 C +ATOM 1225 OE1 GLN B 69 -34.695 -16.439 -0.569 1.00 76.67 O +ANISOU 1225 OE1 GLN B 69 9569 11099 8460 360 1233 26 O +ATOM 1226 NE2 GLN B 69 -33.869 -14.655 0.531 1.00 79.87 N +ANISOU 1226 NE2 GLN B 69 10337 11359 8650 578 1283 -273 N +ATOM 1227 N ILE B 70 -37.462 -15.169 -5.220 1.00 61.39 N +ANISOU 1227 N ILE B 70 6901 9247 7174 715 1163 150 N +ATOM 1228 CA ILE B 70 -37.598 -15.345 -6.623 1.00 62.15 C +ANISOU 1228 CA ILE B 70 6889 9291 7432 668 1022 213 C +ATOM 1229 C ILE B 70 -38.394 -14.186 -7.226 1.00 73.71 C +ANISOU 1229 C ILE B 70 8249 10811 8945 974 1070 184 C +ATOM 1230 O ILE B 70 -37.990 -13.601 -8.254 1.00 73.86 O +ANISOU 1230 O ILE B 70 8375 10629 9058 1051 959 151 O +ATOM 1231 CB ILE B 70 -38.275 -16.689 -6.902 1.00 63.18 C +ANISOU 1231 CB ILE B 70 6790 9618 7596 406 976 375 C +ATOM 1232 CG1 ILE B 70 -37.310 -17.798 -6.413 1.00 66.78 C +ANISOU 1232 CG1 ILE B 70 7440 9927 8005 147 902 402 C +ATOM 1233 CG2 ILE B 70 -38.638 -16.782 -8.387 1.00 57.25 C +ANISOU 1233 CG2 ILE B 70 5905 8860 6984 377 830 431 C +ATOM 1234 CD1 ILE B 70 -37.651 -19.227 -6.791 1.00 70.61 C +ANISOU 1234 CD1 ILE B 70 7840 10465 8522 -155 814 547 C +ATOM 1235 N GLY B 71 -39.521 -13.852 -6.588 1.00 75.76 N +ANISOU 1235 N GLY B 71 8304 11355 9126 1166 1244 206 N +ATOM 1236 CA GLY B 71 -40.376 -12.761 -7.036 1.00 72.95 C +ANISOU 1236 CA GLY B 71 7834 11088 8796 1528 1307 188 C +ATOM 1237 C GLY B 71 -39.624 -11.447 -7.147 1.00 76.38 C +ANISOU 1237 C GLY B 71 8635 11163 9222 1770 1297 33 C +ATOM 1238 O GLY B 71 -39.883 -10.642 -8.039 1.00 79.14 O +ANISOU 1238 O GLY B 71 9008 11417 9641 1993 1244 36 O +ATOM 1239 N GLU B 72 -38.660 -11.230 -6.267 1.00 77.34 N +ANISOU 1239 N GLU B 72 9065 11073 9246 1700 1332 -94 N +ATOM 1240 CA GLU B 72 -37.776 -10.071 -6.409 1.00 82.72 C +ANISOU 1240 CA GLU B 72 10132 11378 9918 1818 1290 -240 C +ATOM 1241 C GLU B 72 -36.680 -10.326 -7.459 1.00 73.65 C +ANISOU 1241 C GLU B 72 9106 9983 8893 1567 1086 -215 C +ATOM 1242 O GLU B 72 -35.725 -9.562 -7.537 1.00 70.35 O +ANISOU 1242 O GLU B 72 8999 9266 8462 1543 1035 -321 O +ATOM 1243 CB GLU B 72 -37.154 -9.705 -5.053 1.00 94.77 C +ANISOU 1243 CB GLU B 72 11940 12798 11270 1810 1386 -397 C +ATOM 1244 CG GLU B 72 -38.118 -9.911 -3.884 1.00110.12 C +ANISOU 1244 CG GLU B 72 13720 15060 13058 1957 1598 -397 C +ATOM 1245 CD GLU B 72 -37.932 -8.936 -2.746 1.00125.11 C +ANISOU 1245 CD GLU B 72 15946 16831 14757 2160 1737 -591 C +ATOM 1246 OE1 GLU B 72 -38.918 -8.231 -2.409 1.00134.61 O +ANISOU 1246 OE1 GLU B 72 17112 18158 15874 2531 1921 -638 O +ATOM 1247 OE2 GLU B 72 -36.813 -8.896 -2.185 1.00125.40 O +ANISOU 1247 OE2 GLU B 72 16271 16663 14709 1956 1661 -698 O +ATOM 1248 N GLY B 73 -36.799 -11.410 -8.233 1.00 65.49 N +ANISOU 1248 N GLY B 73 7839 9083 7962 1362 977 -81 N +ATOM 1249 CA GLY B 73 -35.815 -11.747 -9.280 1.00 62.64 C +ANISOU 1249 CA GLY B 73 7570 8528 7700 1152 805 -56 C +ATOM 1250 C GLY B 73 -34.511 -12.432 -8.913 1.00 64.69 C +ANISOU 1250 C GLY B 73 7964 8676 7938 882 732 -95 C +ATOM 1251 O GLY B 73 -33.621 -12.552 -9.759 1.00 61.13 O +ANISOU 1251 O GLY B 73 7598 8075 7554 753 615 -91 O +ATOM 1252 N PHE B 74 -34.380 -12.937 -7.687 1.00 63.75 N +ANISOU 1252 N PHE B 74 7851 8656 7716 805 798 -121 N +ATOM 1253 CA PHE B 74 -33.146 -13.627 -7.305 1.00 53.01 C +ANISOU 1253 CA PHE B 74 6598 7217 6322 587 711 -142 C +ATOM 1254 C PHE B 74 -32.988 -14.972 -7.975 1.00 47.15 C +ANISOU 1254 C PHE B 74 5729 6525 5658 405 605 -25 C +ATOM 1255 O PHE B 74 -33.925 -15.691 -8.210 1.00 47.19 O +ANISOU 1255 O PHE B 74 5555 6679 5693 369 619 77 O +ATOM 1256 CB PHE B 74 -33.033 -13.757 -5.799 1.00 57.58 C +ANISOU 1256 CB PHE B 74 7252 7883 6742 571 795 -193 C +ATOM 1257 CG PHE B 74 -32.721 -12.455 -5.116 1.00 62.39 C +ANISOU 1257 CG PHE B 74 8094 8364 7244 697 859 -353 C +ATOM 1258 CD1 PHE B 74 -31.451 -11.886 -5.228 1.00 64.10 C +ANISOU 1258 CD1 PHE B 74 8521 8379 7455 591 755 -452 C +ATOM 1259 CD2 PHE B 74 -33.694 -11.780 -4.360 1.00 68.55 C +ANISOU 1259 CD2 PHE B 74 8895 9233 7917 917 1026 -411 C +ATOM 1260 CE1 PHE B 74 -31.155 -10.674 -4.606 1.00 68.98 C +ANISOU 1260 CE1 PHE B 74 9402 8846 7962 659 796 -610 C +ATOM 1261 CE2 PHE B 74 -33.400 -10.578 -3.721 1.00 69.76 C +ANISOU 1261 CE2 PHE B 74 9331 9224 7950 1040 1082 -581 C +ATOM 1262 CZ PHE B 74 -32.132 -10.015 -3.852 1.00 73.33 C +ANISOU 1262 CZ PHE B 74 10030 9434 8398 891 957 -683 C +ATOM 1263 N VAL B 75 -31.754 -15.313 -8.293 1.00 47.62 N +ANISOU 1263 N VAL B 75 5890 6460 5740 284 497 -46 N +ATOM 1264 CA VAL B 75 -31.467 -16.527 -9.040 1.00 46.67 C +ANISOU 1264 CA VAL B 75 5712 6336 5685 155 395 39 C +ATOM 1265 C VAL B 75 -30.245 -17.245 -8.471 1.00 44.46 C +ANISOU 1265 C VAL B 75 5526 6018 5347 63 327 28 C +ATOM 1266 O VAL B 75 -29.283 -16.611 -8.088 1.00 45.81 O +ANISOU 1266 O VAL B 75 5789 6141 5474 68 309 -55 O +ATOM 1267 CB VAL B 75 -31.345 -16.225 -10.573 1.00 48.40 C +ANISOU 1267 CB VAL B 75 5921 6459 6009 172 323 45 C +ATOM 1268 CG1 VAL B 75 -30.229 -15.219 -10.891 1.00 49.82 C +ANISOU 1268 CG1 VAL B 75 6236 6497 6194 190 302 -42 C +ATOM 1269 CG2 VAL B 75 -31.192 -17.513 -11.372 1.00 52.32 C +ANISOU 1269 CG2 VAL B 75 6386 6945 6547 57 228 117 C +ATOM 1270 N LEU B 76 -30.313 -18.572 -8.356 1.00 47.02 N +ANISOU 1270 N LEU B 76 5836 6371 5658 -24 284 120 N +ATOM 1271 CA LEU B 76 -29.121 -19.328 -8.132 1.00 46.01 C +ANISOU 1271 CA LEU B 76 5797 6192 5492 -56 197 127 C +ATOM 1272 C LEU B 76 -28.512 -19.742 -9.476 1.00 40.71 C +ANISOU 1272 C LEU B 76 5131 5424 4910 -54 113 128 C +ATOM 1273 O LEU B 76 -29.048 -20.600 -10.147 1.00 46.45 O +ANISOU 1273 O LEU B 76 5862 6109 5676 -101 81 191 O +ATOM 1274 CB LEU B 76 -29.384 -20.509 -7.221 1.00 47.02 C +ANISOU 1274 CB LEU B 76 5975 6357 5531 -120 195 227 C +ATOM 1275 CG LEU B 76 -30.003 -20.207 -5.836 1.00 48.21 C +ANISOU 1275 CG LEU B 76 6126 6635 5556 -128 299 239 C +ATOM 1276 CD1 LEU B 76 -30.102 -21.517 -5.059 1.00 49.81 C +ANISOU 1276 CD1 LEU B 76 6416 6849 5659 -217 281 368 C +ATOM 1277 CD2 LEU B 76 -29.254 -19.158 -5.030 1.00 49.77 C +ANISOU 1277 CD2 LEU B 76 6382 6864 5663 -57 312 121 C +ATOM 1278 N THR B 77 -27.369 -19.136 -9.812 1.00 41.43 N +ANISOU 1278 N THR B 77 5232 5494 5012 -17 79 55 N +ATOM 1279 CA THR B 77 -26.727 -19.284 -11.128 1.00 40.67 C +ANISOU 1279 CA THR B 77 5128 5343 4981 1 33 43 C +ATOM 1280 C THR B 77 -26.271 -20.689 -11.435 1.00 44.46 C +ANISOU 1280 C THR B 77 5663 5781 5447 32 -31 92 C +ATOM 1281 O THR B 77 -26.273 -21.097 -12.621 1.00 45.14 O +ANISOU 1281 O THR B 77 5776 5802 5573 48 -54 93 O +ATOM 1282 CB THR B 77 -25.599 -18.252 -11.327 1.00 45.56 C +ANISOU 1282 CB THR B 77 5722 5989 5598 -3 32 -32 C +ATOM 1283 OG1 THR B 77 -24.616 -18.284 -10.248 1.00 43.74 O +ANISOU 1283 OG1 THR B 77 5481 5849 5287 -11 -5 -59 O +ATOM 1284 CG2 THR B 77 -26.220 -16.863 -11.400 1.00 41.29 C +ANISOU 1284 CG2 THR B 77 5203 5403 5080 -24 94 -78 C +ATOM 1285 N CYS B 78 -25.967 -21.485 -10.393 1.00 45.27 N +ANISOU 1285 N CYS B 78 5822 5901 5476 54 -62 136 N +ATOM 1286 CA CYS B 78 -25.538 -22.878 -10.640 1.00 40.58 C +ANISOU 1286 CA CYS B 78 5341 5220 4856 123 -127 189 C +ATOM 1287 C CYS B 78 -26.708 -23.807 -10.971 1.00 41.12 C +ANISOU 1287 C CYS B 78 5522 5162 4939 26 -135 258 C +ATOM 1288 O CYS B 78 -26.504 -24.884 -11.423 1.00 43.05 O +ANISOU 1288 O CYS B 78 5913 5275 5166 63 -188 285 O +ATOM 1289 CB CYS B 78 -24.806 -23.414 -9.415 1.00 46.97 C +ANISOU 1289 CB CYS B 78 6199 6078 5566 196 -175 233 C +ATOM 1290 SG CYS B 78 -25.953 -23.849 -8.071 1.00 49.40 S +ANISOU 1290 SG CYS B 78 6603 6375 5792 77 -143 334 S +ATOM 1291 N ALA B 79 -27.946 -23.393 -10.780 1.00 44.78 N +ANISOU 1291 N ALA B 79 5918 5669 5425 -101 -84 285 N +ATOM 1292 CA ALA B 79 -29.075 -24.281 -11.005 1.00 47.60 C +ANISOU 1292 CA ALA B 79 6343 5956 5784 -250 -101 364 C +ATOM 1293 C ALA B 79 -30.185 -23.636 -11.871 1.00 49.22 C +ANISOU 1293 C ALA B 79 6406 6233 6061 -337 -80 350 C +ATOM 1294 O ALA B 79 -31.381 -24.008 -11.779 1.00 50.46 O +ANISOU 1294 O ALA B 79 6514 6441 6216 -497 -73 423 O +ATOM 1295 CB ALA B 79 -29.642 -24.689 -9.663 1.00 51.35 C +ANISOU 1295 CB ALA B 79 6846 6483 6181 -345 -59 459 C +ATOM 1296 N ALA B 80 -29.766 -22.691 -12.710 1.00 47.73 N +ANISOU 1296 N ALA B 80 6146 6065 5924 -239 -75 270 N +ATOM 1297 CA ALA B 80 -30.656 -21.820 -13.483 1.00 47.79 C +ANISOU 1297 CA ALA B 80 6019 6149 5986 -255 -60 260 C +ATOM 1298 C ALA B 80 -30.291 -21.968 -14.960 1.00 45.38 C +ANISOU 1298 C ALA B 80 5782 5759 5701 -235 -129 220 C +ATOM 1299 O ALA B 80 -29.179 -21.667 -15.325 1.00 42.72 O +ANISOU 1299 O ALA B 80 5492 5381 5359 -133 -121 162 O +ATOM 1300 CB ALA B 80 -30.480 -20.367 -13.042 1.00 44.94 C +ANISOU 1300 CB ALA B 80 5565 5866 5641 -146 20 209 C +ATOM 1301 N TYR B 81 -31.241 -22.453 -15.772 1.00 45.42 N +ANISOU 1301 N TYR B 81 5782 5764 5709 -349 -198 253 N +ATOM 1302 CA TYR B 81 -31.175 -22.431 -17.214 1.00 43.03 C +ANISOU 1302 CA TYR B 81 5534 5415 5397 -340 -266 217 C +ATOM 1303 C TYR B 81 -31.816 -21.180 -17.774 1.00 44.38 C +ANISOU 1303 C TYR B 81 5553 5705 5604 -286 -255 229 C +ATOM 1304 O TYR B 81 -32.869 -20.780 -17.277 1.00 44.18 O +ANISOU 1304 O TYR B 81 5365 5812 5607 -312 -236 284 O +ATOM 1305 CB TYR B 81 -31.969 -23.595 -17.812 1.00 42.89 C +ANISOU 1305 CB TYR B 81 5610 5343 5342 -522 -376 244 C +ATOM 1306 CG TYR B 81 -31.528 -24.936 -17.365 1.00 42.13 C +ANISOU 1306 CG TYR B 81 5733 5076 5198 -585 -404 245 C +ATOM 1307 CD1 TYR B 81 -30.314 -25.445 -17.790 1.00 44.66 C +ANISOU 1307 CD1 TYR B 81 6255 5239 5473 -442 -407 173 C +ATOM 1308 CD2 TYR B 81 -32.339 -25.734 -16.540 1.00 48.75 C +ANISOU 1308 CD2 TYR B 81 6588 5909 6023 -781 -423 329 C +ATOM 1309 CE1 TYR B 81 -29.894 -26.718 -17.417 1.00 43.35 C +ANISOU 1309 CE1 TYR B 81 6335 4883 5252 -447 -440 177 C +ATOM 1310 CE2 TYR B 81 -31.956 -27.041 -16.215 1.00 49.19 C +ANISOU 1310 CE2 TYR B 81 6919 5750 6019 -844 -464 343 C +ATOM 1311 CZ TYR B 81 -30.702 -27.516 -16.640 1.00 48.71 C +ANISOU 1311 CZ TYR B 81 7087 5502 5916 -648 -475 264 C +ATOM 1312 OH TYR B 81 -30.184 -28.775 -16.265 1.00 52.95 O +ANISOU 1312 OH TYR B 81 7931 5800 6387 -626 -510 278 O +ATOM 1313 N PRO B 82 -31.222 -20.582 -18.851 1.00 42.24 N +ANISOU 1313 N PRO B 82 5338 5394 5317 -199 -264 189 N +ATOM 1314 CA PRO B 82 -31.916 -19.427 -19.426 1.00 43.63 C +ANISOU 1314 CA PRO B 82 5410 5655 5512 -135 -271 223 C +ATOM 1315 C PRO B 82 -33.193 -19.929 -20.110 1.00 42.47 C +ANISOU 1315 C PRO B 82 5186 5607 5344 -243 -390 277 C +ATOM 1316 O PRO B 82 -33.182 -21.018 -20.729 1.00 43.18 O +ANISOU 1316 O PRO B 82 5392 5637 5378 -371 -481 256 O +ATOM 1317 CB PRO B 82 -30.922 -18.885 -20.482 1.00 44.26 C +ANISOU 1317 CB PRO B 82 5608 5658 5550 -62 -258 186 C +ATOM 1318 CG PRO B 82 -29.978 -19.997 -20.799 1.00 44.00 C +ANISOU 1318 CG PRO B 82 5714 5541 5462 -94 -268 127 C +ATOM 1319 CD PRO B 82 -30.010 -20.955 -19.610 1.00 43.22 C +ANISOU 1319 CD PRO B 82 5616 5415 5388 -148 -264 126 C +ATOM 1320 N THR B 83 -34.264 -19.156 -20.049 1.00 43.35 N +ANISOU 1320 N THR B 83 5114 5871 5484 -188 -400 342 N +ATOM 1321 CA THR B 83 -35.417 -19.426 -20.932 1.00 48.62 C +ANISOU 1321 CA THR B 83 5669 6684 6117 -276 -540 401 C +ATOM 1322 C THR B 83 -35.748 -18.249 -21.876 1.00 46.65 C +ANISOU 1322 C THR B 83 5378 6497 5848 -103 -583 444 C +ATOM 1323 O THR B 83 -36.739 -18.269 -22.580 1.00 52.22 O +ANISOU 1323 O THR B 83 5955 7366 6519 -132 -710 507 O +ATOM 1324 CB THR B 83 -36.648 -19.794 -20.074 1.00 51.91 C +ANISOU 1324 CB THR B 83 5841 7312 6568 -382 -542 472 C +ATOM 1325 OG1 THR B 83 -36.869 -18.747 -19.119 1.00 51.49 O +ANISOU 1325 OG1 THR B 83 5651 7343 6568 -184 -407 493 O +ATOM 1326 CG2 THR B 83 -36.374 -21.131 -19.339 1.00 48.25 C +ANISOU 1326 CG2 THR B 83 5482 6756 6094 -602 -531 453 C +ATOM 1327 N SER B 84 -34.922 -17.220 -21.872 1.00 49.15 N +ANISOU 1327 N SER B 84 5810 6685 6177 63 -486 421 N +ATOM 1328 CA SER B 84 -34.968 -16.169 -22.893 1.00 47.46 C +ANISOU 1328 CA SER B 84 5660 6452 5920 210 -525 469 C +ATOM 1329 C SER B 84 -33.560 -15.596 -22.849 1.00 44.74 C +ANISOU 1329 C SER B 84 5522 5905 5571 249 -408 413 C +ATOM 1330 O SER B 84 -32.757 -15.991 -21.985 1.00 42.92 O +ANISOU 1330 O SER B 84 5325 5604 5377 186 -319 344 O +ATOM 1331 CB SER B 84 -35.999 -15.072 -22.468 1.00 52.98 C +ANISOU 1331 CB SER B 84 6195 7271 6664 424 -504 546 C +ATOM 1332 OG SER B 84 -35.478 -14.259 -21.372 1.00 56.24 O +ANISOU 1332 OG SER B 84 6673 7559 7133 543 -346 502 O +ATOM 1333 N ASP B 85 -33.263 -14.621 -23.694 1.00 42.09 N +ANISOU 1333 N ASP B 85 5315 5491 5184 344 -407 456 N +ATOM 1334 CA ASP B 85 -32.096 -13.779 -23.472 1.00 44.39 C +ANISOU 1334 CA ASP B 85 5767 5616 5481 363 -284 426 C +ATOM 1335 C ASP B 85 -32.367 -13.068 -22.174 1.00 44.33 C +ANISOU 1335 C ASP B 85 5710 5574 5557 461 -200 408 C +ATOM 1336 O ASP B 85 -33.473 -12.654 -21.914 1.00 44.74 O +ANISOU 1336 O ASP B 85 5658 5704 5635 607 -226 457 O +ATOM 1337 CB ASP B 85 -31.910 -12.741 -24.580 1.00 50.33 C +ANISOU 1337 CB ASP B 85 6690 6279 6153 434 -297 505 C +ATOM 1338 CG ASP B 85 -31.692 -13.380 -25.963 1.00 53.63 C +ANISOU 1338 CG ASP B 85 7180 6749 6447 352 -376 524 C +ATOM 1339 OD1 ASP B 85 -31.204 -14.529 -26.022 1.00 47.82 O +ANISOU 1339 OD1 ASP B 85 6425 6053 5688 233 -377 444 O +ATOM 1340 OD2 ASP B 85 -32.060 -12.736 -26.984 1.00 54.69 O +ANISOU 1340 OD2 ASP B 85 7411 6877 6491 428 -443 619 O +ATOM 1341 N VAL B 86 -31.347 -12.922 -21.361 1.00 40.17 N +ANISOU 1341 N VAL B 86 5253 4953 5056 392 -100 335 N +ATOM 1342 CA VAL B 86 -31.545 -12.627 -20.001 1.00 40.95 C +ANISOU 1342 CA VAL B 86 5304 5044 5208 443 -28 288 C +ATOM 1343 C VAL B 86 -30.338 -11.876 -19.512 1.00 40.30 C +ANISOU 1343 C VAL B 86 5380 4811 5117 374 55 227 C +ATOM 1344 O VAL B 86 -29.225 -12.135 -19.945 1.00 43.19 O +ANISOU 1344 O VAL B 86 5796 5158 5455 238 66 208 O +ATOM 1345 CB VAL B 86 -31.795 -13.954 -19.226 1.00 47.21 C +ANISOU 1345 CB VAL B 86 5933 5975 6029 355 -41 254 C +ATOM 1346 CG1 VAL B 86 -30.588 -14.864 -19.281 1.00 53.03 C +ANISOU 1346 CG1 VAL B 86 6718 6685 6745 209 -38 201 C +ATOM 1347 CG2 VAL B 86 -32.149 -13.690 -17.770 1.00 54.18 C +ANISOU 1347 CG2 VAL B 86 6757 6889 6939 415 40 215 C +ATOM 1348 N THR B 87 -30.567 -10.923 -18.633 1.00 40.44 N +ANISOU 1348 N THR B 87 5478 4736 5147 466 116 194 N +ATOM 1349 CA THR B 87 -29.526 -10.137 -17.998 1.00 44.61 C +ANISOU 1349 CA THR B 87 6175 5117 5656 367 180 122 C +ATOM 1350 C THR B 87 -29.555 -10.459 -16.518 1.00 45.83 C +ANISOU 1350 C THR B 87 6259 5336 5818 364 223 34 C +ATOM 1351 O THR B 87 -30.627 -10.480 -15.920 1.00 50.57 O +ANISOU 1351 O THR B 87 6782 6002 6428 521 248 34 O +ATOM 1352 CB THR B 87 -29.811 -8.653 -18.240 1.00 48.52 C +ANISOU 1352 CB THR B 87 6913 5392 6126 483 206 148 C +ATOM 1353 OG1 THR B 87 -29.766 -8.415 -19.647 1.00 50.14 O +ANISOU 1353 OG1 THR B 87 7196 5550 6304 478 160 251 O +ATOM 1354 CG2 THR B 87 -28.775 -7.748 -17.578 1.00 51.37 C +ANISOU 1354 CG2 THR B 87 7497 5567 6453 330 258 66 C +ATOM 1355 N ILE B 88 -28.383 -10.757 -15.950 1.00 46.15 N +ANISOU 1355 N ILE B 88 6302 5394 5839 188 231 -31 N +ATOM 1356 CA ILE B 88 -28.248 -11.202 -14.561 1.00 48.38 C +ANISOU 1356 CA ILE B 88 6524 5758 6100 163 252 -105 C +ATOM 1357 C ILE B 88 -27.148 -10.356 -13.868 1.00 49.51 C +ANISOU 1357 C ILE B 88 6821 5800 6187 17 267 -195 C +ATOM 1358 O ILE B 88 -26.006 -10.333 -14.336 1.00 50.31 O +ANISOU 1358 O ILE B 88 6922 5912 6279 -155 240 -192 O +ATOM 1359 CB ILE B 88 -27.854 -12.697 -14.495 1.00 47.16 C +ANISOU 1359 CB ILE B 88 6193 5770 5956 88 209 -84 C +ATOM 1360 CG1 ILE B 88 -29.028 -13.550 -14.899 1.00 45.49 C +ANISOU 1360 CG1 ILE B 88 5857 5647 5780 178 185 -12 C +ATOM 1361 CG2 ILE B 88 -27.449 -13.095 -13.075 1.00 50.06 C +ANISOU 1361 CG2 ILE B 88 6533 6211 6275 43 217 -145 C +ATOM 1362 CD1 ILE B 88 -28.663 -14.921 -15.331 1.00 44.53 C +ANISOU 1362 CD1 ILE B 88 5652 5603 5664 105 128 18 C +ATOM 1363 N GLU B 89 -27.473 -9.703 -12.758 1.00 53.87 N +ANISOU 1363 N GLU B 89 7496 6283 6689 72 309 -278 N +ATOM 1364 CA GLU B 89 -26.437 -9.087 -11.897 1.00 55.06 C +ANISOU 1364 CA GLU B 89 7788 6369 6762 -106 296 -383 C +ATOM 1365 C GLU B 89 -25.875 -10.173 -10.991 1.00 50.59 C +ANISOU 1365 C GLU B 89 7047 6015 6159 -183 255 -407 C +ATOM 1366 O GLU B 89 -26.632 -10.952 -10.372 1.00 53.81 O +ANISOU 1366 O GLU B 89 7350 6536 6558 -58 279 -389 O +ATOM 1367 CB GLU B 89 -26.978 -7.962 -10.983 1.00 64.61 C +ANISOU 1367 CB GLU B 89 9255 7398 7894 -8 353 -489 C +ATOM 1368 CG GLU B 89 -27.906 -6.925 -11.597 1.00 75.35 C +ANISOU 1368 CG GLU B 89 10817 8537 9275 195 408 -466 C +ATOM 1369 CD GLU B 89 -28.548 -5.964 -10.562 1.00 82.40 C +ANISOU 1369 CD GLU B 89 11968 9264 10073 373 485 -588 C +ATOM 1370 OE1 GLU B 89 -29.068 -6.404 -9.504 1.00 81.15 O +ANISOU 1370 OE1 GLU B 89 11720 9254 9857 488 538 -645 O +ATOM 1371 OE2 GLU B 89 -28.574 -4.751 -10.836 1.00 78.16 O +ANISOU 1371 OE2 GLU B 89 11754 8436 9505 415 502 -623 O +ATOM 1372 N THR B 90 -24.559 -10.217 -10.878 1.00 51.58 N +ANISOU 1372 N THR B 90 7135 6210 6250 -392 193 -434 N +ATOM 1373 CA THR B 90 -23.886 -11.258 -10.104 1.00 50.76 C +ANISOU 1373 CA THR B 90 6862 6321 6103 -439 132 -438 C +ATOM 1374 C THR B 90 -23.428 -10.795 -8.698 1.00 54.51 C +ANISOU 1374 C THR B 90 7442 6820 6450 -544 93 -549 C +ATOM 1375 O THR B 90 -23.592 -9.656 -8.337 1.00 56.29 O +ANISOU 1375 O THR B 90 7894 6876 6618 -596 118 -640 O +ATOM 1376 CB THR B 90 -22.680 -11.779 -10.880 1.00 51.05 C +ANISOU 1376 CB THR B 90 6727 6500 6170 -558 78 -385 C +ATOM 1377 OG1 THR B 90 -21.707 -10.743 -11.014 1.00 54.51 O +ANISOU 1377 OG1 THR B 90 7235 6905 6570 -789 55 -432 O +ATOM 1378 CG2 THR B 90 -23.111 -12.265 -12.264 1.00 50.66 C +ANISOU 1378 CG2 THR B 90 6610 6424 6212 -455 115 -293 C +ATOM 1379 N HIS B 91 -22.903 -11.730 -7.904 1.00 57.41 N +ANISOU 1379 N HIS B 91 7670 7387 6755 -556 26 -538 N +ATOM 1380 CA HIS B 91 -22.350 -11.451 -6.562 1.00 53.16 C +ANISOU 1380 CA HIS B 91 7206 6925 6066 -666 -42 -633 C +ATOM 1381 C HIS B 91 -23.379 -10.865 -5.635 1.00 52.82 C +ANISOU 1381 C HIS B 91 7383 6755 5930 -566 36 -720 C +ATOM 1382 O HIS B 91 -23.140 -9.839 -5.055 1.00 57.23 O +ANISOU 1382 O HIS B 91 8152 7207 6385 -681 21 -845 O +ATOM 1383 CB HIS B 91 -21.120 -10.564 -6.646 1.00 52.81 C +ANISOU 1383 CB HIS B 91 7193 6894 5976 -939 -126 -702 C +ATOM 1384 CG HIS B 91 -19.981 -11.185 -7.409 1.00 56.19 C +ANISOU 1384 CG HIS B 91 7349 7534 6464 -1027 -193 -617 C +ATOM 1385 ND1 HIS B 91 -20.029 -11.423 -8.768 1.00 58.74 N +ANISOU 1385 ND1 HIS B 91 7574 7829 6914 -972 -131 -528 N +ATOM 1386 CD2 HIS B 91 -18.759 -11.596 -7.006 1.00 57.11 C +ANISOU 1386 CD2 HIS B 91 7263 7919 6514 -1145 -312 -608 C +ATOM 1387 CE1 HIS B 91 -18.883 -11.936 -9.173 1.00 56.30 C +ANISOU 1387 CE1 HIS B 91 7023 7755 6612 -1044 -186 -477 C +ATOM 1388 NE2 HIS B 91 -18.094 -12.046 -8.123 1.00 61.01 N +ANISOU 1388 NE2 HIS B 91 7535 8546 7100 -1142 -299 -520 N +ATOM 1389 N LYS B 92 -24.532 -11.528 -5.533 1.00 51.89 N +ANISOU 1389 N LYS B 92 7218 6656 5842 -359 126 -655 N +ATOM 1390 CA LYS B 92 -25.686 -11.045 -4.764 1.00 55.84 C +ANISOU 1390 CA LYS B 92 7874 7083 6259 -208 243 -719 C +ATOM 1391 C LYS B 92 -25.938 -11.835 -3.472 1.00 58.34 C +ANISOU 1391 C LYS B 92 8162 7572 6430 -160 255 -708 C +ATOM 1392 O LYS B 92 -26.959 -11.637 -2.823 1.00 58.98 O +ANISOU 1392 O LYS B 92 8322 7655 6430 -18 378 -739 O +ATOM 1393 CB LYS B 92 -26.964 -11.067 -5.656 1.00 58.46 C +ANISOU 1393 CB LYS B 92 8144 7346 6720 -12 355 -640 C +ATOM 1394 CG LYS B 92 -26.997 -9.991 -6.743 1.00 61.75 C +ANISOU 1394 CG LYS B 92 8682 7550 7230 -3 369 -662 C +ATOM 1395 CD LYS B 92 -26.411 -8.664 -6.237 1.00 67.88 C +ANISOU 1395 CD LYS B 92 9757 8134 7899 -115 352 -813 C +ATOM 1396 CE LYS B 92 -26.933 -7.436 -6.946 1.00 70.75 C +ANISOU 1396 CE LYS B 92 10351 8225 8305 -10 414 -844 C +ATOM 1397 NZ LYS B 92 -28.067 -6.929 -6.119 1.00 81.14 N +ANISOU 1397 NZ LYS B 92 11822 9481 9525 253 540 -928 N +ATOM 1398 N GLU B 93 -25.011 -12.712 -3.102 1.00 57.86 N +ANISOU 1398 N GLU B 93 7989 7669 6322 -262 135 -655 N +ATOM 1399 CA GLU B 93 -25.136 -13.464 -1.883 1.00 65.82 C +ANISOU 1399 CA GLU B 93 9004 8833 7172 -230 128 -625 C +ATOM 1400 C GLU B 93 -25.494 -12.505 -0.726 1.00 69.11 C +ANISOU 1400 C GLU B 93 9655 9212 7388 -218 194 -777 C +ATOM 1401 O GLU B 93 -26.466 -12.735 -0.015 1.00 63.37 O +ANISOU 1401 O GLU B 93 8970 8546 6562 -93 320 -761 O +ATOM 1402 CB GLU B 93 -23.834 -14.222 -1.595 1.00 65.64 C +ANISOU 1402 CB GLU B 93 8876 8968 7096 -333 -46 -573 C +ATOM 1403 CG GLU B 93 -23.788 -14.779 -0.175 1.00 79.13 C +ANISOU 1403 CG GLU B 93 10652 10826 8585 -318 -84 -555 C +ATOM 1404 CD GLU B 93 -22.987 -16.055 -0.039 1.00 76.96 C +ANISOU 1404 CD GLU B 93 10243 10705 8292 -298 -222 -415 C +ATOM 1405 OE1 GLU B 93 -21.780 -16.023 -0.371 1.00 79.66 O +ANISOU 1405 OE1 GLU B 93 10469 11135 8663 -371 -367 -426 O +ATOM 1406 OE2 GLU B 93 -23.601 -17.080 0.373 1.00 67.00 O +ANISOU 1406 OE2 GLU B 93 8994 9478 6985 -203 -176 -287 O +ATOM 1407 N GLU B 94 -24.725 -11.432 -0.566 1.00 69.03 N +ANISOU 1407 N GLU B 94 9811 9108 7309 -360 117 -926 N +ATOM 1408 CA GLU B 94 -24.928 -10.483 0.552 1.00 77.95 C +ANISOU 1408 CA GLU B 94 11229 10170 8216 -366 159 -1102 C +ATOM 1409 C GLU B 94 -26.428 -10.119 0.763 1.00 81.07 C +ANISOU 1409 C GLU B 94 11734 10485 8584 -108 385 -1134 C +ATOM 1410 O GLU B 94 -26.904 -10.013 1.908 1.00 85.54 O +ANISOU 1410 O GLU B 94 12445 11120 8935 -23 471 -1211 O +ATOM 1411 CB GLU B 94 -24.036 -9.252 0.313 1.00 87.19 C +ANISOU 1411 CB GLU B 94 12594 11164 9368 -580 56 -1254 C +ATOM 1412 CG GLU B 94 -24.432 -7.953 1.012 1.00106.45 C +ANISOU 1412 CG GLU B 94 15427 13387 11633 -560 129 -1466 C +ATOM 1413 CD GLU B 94 -23.735 -7.773 2.341 1.00110.68 C +ANISOU 1413 CD GLU B 94 16139 14025 11889 -732 8 -1602 C +ATOM 1414 OE1 GLU B 94 -22.649 -8.362 2.521 1.00117.37 O +ANISOU 1414 OE1 GLU B 94 16802 15085 12706 -936 -180 -1543 O +ATOM 1415 OE2 GLU B 94 -24.273 -7.047 3.196 1.00115.53 O +ANISOU 1415 OE2 GLU B 94 17075 14520 12301 -644 98 -1769 O +ATOM 1416 N ALA B 95 -27.170 -9.967 -0.337 1.00 78.47 N +ANISOU 1416 N ALA B 95 11311 10048 8454 26 480 -1068 N +ATOM 1417 CA ALA B 95 -28.574 -9.572 -0.290 1.00 77.65 C +ANISOU 1417 CA ALA B 95 11250 9907 8344 296 683 -1084 C +ATOM 1418 C ALA B 95 -29.499 -10.685 0.182 1.00 81.60 C +ANISOU 1418 C ALA B 95 11531 10661 8809 409 797 -947 C +ATOM 1419 O ALA B 95 -30.560 -10.398 0.728 1.00 86.75 O +ANISOU 1419 O ALA B 95 12220 11380 9361 612 978 -982 O +ATOM 1420 CB ALA B 95 -29.025 -9.052 -1.654 1.00 73.64 C +ANISOU 1420 CB ALA B 95 10698 9230 8050 400 717 -1040 C +ATOM 1421 N ILE B 96 -29.102 -11.941 -0.054 1.00 86.66 N +ANISOU 1421 N ILE B 96 11957 11441 9527 280 698 -787 N +ATOM 1422 CA ILE B 96 -29.871 -13.143 0.330 1.00 86.56 C +ANISOU 1422 CA ILE B 96 11762 11641 9485 314 780 -627 C +ATOM 1423 C ILE B 96 -29.477 -13.617 1.721 1.00 84.77 C +ANISOU 1423 C ILE B 96 11641 11556 9011 242 759 -633 C +ATOM 1424 O ILE B 96 -29.685 -14.761 2.056 1.00 83.12 O +ANISOU 1424 O ILE B 96 11324 11491 8764 195 764 -478 O +ATOM 1425 CB ILE B 96 -29.623 -14.323 -0.663 1.00 90.19 C +ANISOU 1425 CB ILE B 96 12007 12122 10139 213 673 -451 C +ATOM 1426 CG1 ILE B 96 -30.006 -13.941 -2.082 1.00 90.30 C +ANISOU 1426 CG1 ILE B 96 11917 12018 10374 272 679 -433 C +ATOM 1427 CG2 ILE B 96 -30.408 -15.587 -0.291 1.00 96.15 C +ANISOU 1427 CG2 ILE B 96 12623 13049 10858 195 743 -278 C +ATOM 1428 CD1 ILE B 96 -31.453 -13.513 -2.211 1.00 91.73 C +ANISOU 1428 CD1 ILE B 96 12017 12259 10577 456 854 -422 C +ATOM 1429 N MET B 97 -28.867 -12.760 2.519 1.00 96.04 N +ANISOU 1429 N MET B 97 13305 12930 10255 212 718 -806 N +ATOM 1430 CA MET B 97 -28.752 -13.030 3.959 1.00108.10 C +ANISOU 1430 CA MET B 97 14968 14612 11491 186 733 -832 C +ATOM 1431 C MET B 97 -29.333 -11.852 4.784 1.00112.54 C +ANISOU 1431 C MET B 97 15786 15132 11839 327 893 -1037 C +ATOM 1432 O MET B 97 -30.047 -12.090 5.759 1.00113.07 O +ANISOU 1432 O MET B 97 15896 15370 11696 422 1051 -1023 O +ATOM 1433 CB MET B 97 -27.301 -13.410 4.291 1.00103.41 C +ANISOU 1433 CB MET B 97 14414 14054 10823 -6 483 -827 C +ATOM 1434 CG MET B 97 -26.722 -14.327 3.206 1.00102.45 C +ANISOU 1434 CG MET B 97 14057 13920 10946 -76 347 -664 C +ATOM 1435 SD MET B 97 -25.246 -15.322 3.559 1.00117.34 S +ANISOU 1435 SD MET B 97 15877 15943 12762 -203 84 -561 S +ATOM 1436 CE MET B 97 -24.043 -14.027 3.907 1.00103.96 C +ANISOU 1436 CE MET B 97 14327 14224 10946 -367 -80 -786 C +ATOM 1437 N LEU B 98 -29.087 -10.604 4.344 1.00119.26 N +ANISOU 1437 N LEU B 98 16822 15748 12742 354 871 -1217 N +ATOM 1438 CA LEU B 98 -29.639 -9.356 4.952 1.00123.66 C +ANISOU 1438 CA LEU B 98 17689 16180 13115 531 1024 -1437 C +ATOM 1439 C LEU B 98 -30.866 -9.535 5.875 1.00124.53 C +ANISOU 1439 C LEU B 98 17792 16500 13023 769 1286 -1430 C +ATOM 1440 O LEU B 98 -32.001 -9.708 5.420 1.00113.44 O +ANISOU 1440 O LEU B 98 16173 15192 11737 973 1471 -1329 O +ATOM 1441 CB LEU B 98 -29.945 -8.322 3.862 1.00113.25 C +ANISOU 1441 CB LEU B 98 16446 14588 11996 658 1065 -1512 C +TER 1442 LEU B 98 +HETATM 1443 FE1 FES A 201 -15.271 -14.172 -26.506 1.00 44.84 FE +ANISOU 1443 FE1 FES A 201 6513 5131 5392 -266 1479 -131 FE +HETATM 1444 FE2 FES A 201 -13.886 -13.246 -28.774 1.00 43.12 FE +ANISOU 1444 FE2 FES A 201 6178 4976 5230 -316 1145 -235 FE +HETATM 1445 S1 FES A 201 -13.297 -13.107 -26.664 1.00 54.52 S +ANISOU 1445 S1 FES A 201 7773 6436 6506 -96 1188 -102 S +HETATM 1446 S2 FES A 201 -15.933 -14.020 -28.613 1.00 59.15 S +ANISOU 1446 S2 FES A 201 8119 7001 7354 -510 1368 -300 S +HETATM 1447 CL CL A 202 -7.271 -6.453 -50.333 1.00 66.75 CL +ANISOU 1447 CL CL A 202 8476 9756 7127 -15 320 384 CL +HETATM 1448 FE1 FES B 201 -24.764 -23.326 -3.870 1.00 41.78 FE +ANISOU 1448 FE1 FES B 201 5702 5769 4400 126 -205 391 FE +HETATM 1449 FE2 FES B 201 -25.332 -22.283 -6.421 1.00 37.10 FE +ANISOU 1449 FE2 FES B 201 4925 5056 4113 76 -116 248 FE +HETATM 1450 S1 FES B 201 -23.427 -22.583 -5.443 1.00 50.74 S +ANISOU 1450 S1 FES B 201 6641 6936 5699 218 -266 253 S +HETATM 1451 S2 FES B 201 -26.631 -22.784 -4.792 1.00 52.36 S +ANISOU 1451 S2 FES B 201 6974 7030 5890 -29 -34 366 S +HETATM 1452 CL CL B 202 -35.655 -14.036 -25.892 1.00 63.11 CL +ANISOU 1452 CL CL B 202 7828 8449 7699 533 -737 677 CL +HETATM 1453 O HOH A 301 -5.604 9.621 -30.726 1.00 71.67 O +ANISOU 1453 O HOH A 301 9741 6570 10921 -503 1286 -1155 O +HETATM 1454 O HOH A 302 -9.976 -2.053 -46.606 1.00 60.80 O +ANISOU 1454 O HOH A 302 7211 8696 7192 404 154 904 O +HETATM 1455 O HOH A 303 -25.242 -15.543 -37.047 1.00 85.19 O +ANISOU 1455 O HOH A 303 9346 12270 10750 -2562 894 -1311 O +HETATM 1456 O HOH A 304 -8.615 -1.310 -44.946 1.00 51.68 O +ANISOU 1456 O HOH A 304 6188 7004 6442 421 264 856 O +HETATM 1457 O HOH A 305 -6.495 -20.103 -36.227 1.00 66.33 O +ANISOU 1457 O HOH A 305 9914 6783 8504 -320 2093 -239 O +HETATM 1458 O HOH A 306 -15.756 -22.203 -33.220 1.00 75.41 O +ANISOU 1458 O HOH A 306 10813 7895 9944 -1695 2618 -965 O +HETATM 1459 O HOH A 307 -29.136 -5.336 -24.489 1.00 68.01 O +ANISOU 1459 O HOH A 307 7381 9218 9240 419 2448 230 O +HETATM 1460 O HOH A 308 -31.273 -2.568 -37.684 1.00 80.28 O +ANISOU 1460 O HOH A 308 6166 13841 10493 472 476 1418 O +HETATM 1461 O HOH A 309 -12.248 -4.951 -30.108 1.00 43.84 O +ANISOU 1461 O HOH A 309 5908 5247 5501 5 448 -372 O +HETATM 1462 O HOH A 310 1.254 -8.613 -35.928 1.00 55.59 O +ANISOU 1462 O HOH A 310 7059 6744 7319 249 231 444 O +HETATM 1463 O HOH A 311 -14.907 -5.701 -24.000 1.00 59.32 O +ANISOU 1463 O HOH A 311 8290 7265 6981 168 940 -557 O +HETATM 1464 O HOH A 312 -10.817 -7.018 -29.284 1.00 41.62 O +ANISOU 1464 O HOH A 312 5784 4984 5045 -27 423 -341 O +HETATM 1465 O HOH A 313 2.334 -6.045 -37.941 1.00 48.64 O +ANISOU 1465 O HOH A 313 5952 5811 6716 139 202 488 O +HETATM 1466 O HOH A 314 -15.179 -4.981 -27.668 1.00 53.48 O +ANISOU 1466 O HOH A 314 7171 6503 6643 87 768 -437 O +HETATM 1467 O HOH A 315 -0.012 -13.050 -38.710 1.00 53.80 O +ANISOU 1467 O HOH A 315 7374 6131 6936 327 934 389 O +HETATM 1468 O HOH A 316 -4.588 7.953 -34.979 1.00 55.02 O +ANISOU 1468 O HOH A 316 7176 4879 8848 -164 1054 -241 O +HETATM 1469 O HOH A 317 -7.401 1.030 -46.099 1.00 71.07 O +ANISOU 1469 O HOH A 317 8592 9256 9152 695 478 1286 O +HETATM 1470 O HOH B 301 -17.227 -5.370 -20.274 1.00 67.76 O +ANISOU 1470 O HOH B 301 9358 8307 8078 -2373 512 237 O +HETATM 1471 O HOH B 302 -16.773 -19.622 -11.270 1.00 63.07 O +ANISOU 1471 O HOH B 302 7080 9333 7548 271 -261 -62 O +HETATM 1472 O HOH B 303 -33.187 -25.431 -12.986 1.00 63.64 O +ANISOU 1472 O HOH B 303 8214 8071 7895 -876 -197 526 O +HETATM 1473 O HOH B 304 -33.633 -10.672 -27.113 1.00 59.09 O +ANISOU 1473 O HOH B 304 8015 7375 7058 804 -526 819 O +HETATM 1474 O HOH B 305 -29.987 -6.037 -4.511 1.00 66.34 O +ANISOU 1474 O HOH B 305 10207 7566 7433 765 801 -1097 O +HETATM 1475 O HOH B 306 -13.899 -20.518 -11.569 1.00 81.57 O +ANISOU 1475 O HOH B 306 8854 12357 9778 587 -327 -7 O +HETATM 1476 O HOH B 307 -22.312 -17.195 -9.418 1.00 47.15 O +ANISOU 1476 O HOH B 307 5812 6486 5616 -124 -89 -163 O +HETATM 1477 O HOH B 308 -34.144 -23.559 -20.590 1.00 51.64 O +ANISOU 1477 O HOH B 308 6612 6627 6378 -778 -651 271 O +HETATM 1478 O HOH B 309 -24.795 -27.082 -17.164 1.00 48.12 O +ANISOU 1478 O HOH B 309 7064 5473 5745 466 -276 10 O +HETATM 1479 O HOH B 310 -32.217 -13.054 4.356 1.00 88.41 O +ANISOU 1479 O HOH B 310 12239 12424 8929 628 1337 -721 O +HETATM 1480 O HOH B 311 -23.165 -14.400 -5.121 1.00 48.01 O +ANISOU 1480 O HOH B 311 6333 6580 5329 -351 -63 -448 O +HETATM 1481 O HOH B 312 -20.108 -19.770 -22.685 1.00 54.43 O +ANISOU 1481 O HOH B 312 6815 7445 6419 397 344 -109 O +HETATM 1482 O HOH B 313 -29.379 -10.101 -22.915 1.00 62.52 O +ANISOU 1482 O HOH B 313 8624 7375 7757 322 17 426 O +HETATM 1483 O HOH B 314 -23.815 -23.224 -24.077 1.00 46.69 O +ANISOU 1483 O HOH B 314 6623 5782 5333 479 -2 -224 O +HETATM 1484 O HOH B 315 -31.917 -9.402 -21.408 1.00 63.89 O +ANISOU 1484 O HOH B 315 8654 7581 8038 758 -17 436 O +HETATM 1485 O HOH B 316 -43.034 -22.451 -5.025 1.00 82.32 O +ANISOU 1485 O HOH B 316 8131 13423 9723 -1213 1232 1263 O +HETATM 1486 O HOH B 317 -13.942 -19.466 -15.267 1.00 82.69 O +ANISOU 1486 O HOH B 317 8966 12435 10017 416 49 -55 O +HETATM 1487 O HOH B 318 -23.364 -14.585 -8.816 1.00 50.88 O +ANISOU 1487 O HOH B 318 6512 6761 6060 -288 14 -313 O +HETATM 1488 O HOH B 319 -41.794 -18.985 0.026 0.50 60.91 O +ANISOU 1488 O HOH B 319 5945 10874 6323 -9 2050 811 O +HETATM 1489 O HOH B 320 -29.672 -24.828 -29.742 1.00 55.49 O +ANISOU 1489 O HOH B 320 8618 6605 5859 -263 -781 -333 O +HETATM 1490 O HOH B 321 -38.215 -20.833 -12.380 1.00 58.66 O +ANISOU 1490 O HOH B 321 6197 8706 7384 -584 159 654 O +CONECT 301 1443 +CONECT 333 1443 +CONECT 351 1444 +CONECT 569 1444 +CONECT 1022 1448 +CONECT 1054 1448 +CONECT 1072 1449 +CONECT 1290 1449 +CONECT 1443 301 333 1445 1446 +CONECT 1444 351 569 1445 1446 +CONECT 1445 1443 1444 +CONECT 1446 1443 1444 +CONECT 1448 1022 1054 1450 1451 +CONECT 1449 1072 1290 1450 1451 +CONECT 1450 1448 1449 +CONECT 1451 1448 1449 +MASTER 410 0 4 7 14 0 6 6 1488 2 16 18 +END diff --git a/test/jalview/ext/rbvi/chimera/4zho.xml.gz 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870ed99..6ea377f 100644 --- a/test/jalview/ext/rbvi/chimera/JalviewChimeraView.java +++ b/test/jalview/ext/rbvi/chimera/JalviewChimeraView.java @@ -42,8 +42,12 @@ import jalview.io.FileLoader; import jalview.io.FormatAdapter; import jalview.structure.StructureMapping; import jalview.structure.StructureSelectionManager; -import jalview.structures.models.AAStructureBindingModel; +import jalview.ws.sifts.SiftsClient; +import jalview.ws.sifts.SiftsException; +import jalview.ws.sifts.SiftsSettings; +import java.io.File; +import java.io.IOException; import java.util.List; import java.util.Vector; @@ -64,8 +68,7 @@ public class JalviewChimeraView @BeforeClass(alwaysRun = true) public static void setUpBeforeClass() throws Exception { - Jalview.main(new String[] { - "-noquestionnaire -nonews -props", + Jalview.main(new String[] { "-noquestionnaire", "-nonews", "-props", "test/jalview/ext/rbvi/chimera/testProps.jvprops" }); Cache.setProperty(Preferences.STRUCTURE_DISPLAY, ViewerType.CHIMERA.name()); @@ -74,6 +77,8 @@ public class JalviewChimeraView Cache.setProperty(Preferences.STRUCTURE_DISPLAY, ViewerType.CHIMERA.name()); Cache.setProperty("MAP_WITH_SIFTS", "true"); + // TODO this should not be necessary! + SiftsSettings.setMapWithSifts(true); } /** @@ -88,6 +93,7 @@ public class JalviewChimeraView @AfterMethod(alwaysRun = true) public void tearDownAfterTest() throws Exception { + SiftsClient.setMockSiftsFile(null); if (chimeraViewer != null) { chimeraViewer.closeViewer(true); @@ -95,9 +101,12 @@ public class JalviewChimeraView } /** - * Load 1GAQ and view the first structure for which a PDB id is found + * Load 1GAQ and view the first structure for which a PDB id is found. Note no + * network connection is needed - PDB file is read locally, SIFTS fetch fails + * so mapping falls back to Needleman-Wunsch - ok for this test. */ - @Test(groups = { "External", "Network" }) + // External as local install of Chimera required + @Test(groups = { "External" }) public void testSingleSeqViewChimera() { String inFile = "examples/1gaq.txt"; @@ -115,10 +124,13 @@ public class JalviewChimeraView .getStructureSelectionManager()); chimeraViewer = structureViewer.viewStructures(pdbEntry, new SequenceI[] { sq }, af.getCurrentView().getAlignPanel()); + JalviewChimeraBinding binding = (JalviewChimeraBinding) chimeraViewer + .getBinding(); + /* * Wait for viewer load thread to complete */ - while (!chimeraViewer.getBinding().isFinishedInit()) + while (!binding.isFinishedInit()) { try { @@ -127,6 +139,9 @@ public class JalviewChimeraView { } } + + assertTrue(binding.isChimeraRunning(), "Failed to start Chimera"); + assertEquals(chimeraViewer.getBinding().getPdbCount(), 1); chimeraViewer.closeViewer(true); chimeraViewer = null; @@ -135,12 +150,15 @@ public class JalviewChimeraView /** * Test for writing Jalview features as attributes on mapped residues in - * Chimera + * Chimera. Note this uses local copies of PDB and SIFTS file, no network + * connection required. + * + * @throws IOException + * @throws SiftsException */ // External as this requires a local install of Chimera - // Network as fetch from PDB/SIFTS is involved TODO mock this - @Test(groups = { "External", "Network" }) - public void testTransferFeatures() + @Test(groups = { "External" }) + public void testTransferFeatures() throws IOException, SiftsException { String inFile = "examples/uniref50.fa"; AlignFrame af = new FileLoader().LoadFileWaitTillLoaded(inFile, @@ -153,25 +171,37 @@ public class JalviewChimeraView * need a Uniprot dbref for SIFTS mapping to work!! */ sq.addDBRef(new DBRefEntry("UNIPROT", "0", "P16972", null)); - PDBEntry pdbEntry = new PDBEntry("4ZHO", null, null, null); - // addPDBId() doesn't (yet) delegate to dataset sequence if there is one! - sq.getDatasetSequence().addPDBId(pdbEntry); + + /* + * use local test PDB and SIFTS files + */ + String pdbFilePath = new File( + "test/jalview/ext/rbvi/chimera/4zho.pdb").getPath(); + PDBEntry pdbEntry = new PDBEntry("4ZHO", null, null, pdbFilePath); + String siftsFilePath = new File( + "test/jalview/ext/rbvi/chimera/4zho.xml.gz") + .getPath(); + SiftsClient.setMockSiftsFile(new File(siftsFilePath)); + StructureViewer structureViewer = new StructureViewer(af.getViewport() .getStructureSelectionManager()); chimeraViewer = structureViewer.viewStructures(pdbEntry, new SequenceI[] { sq }, af.getCurrentView().getAlignPanel()); - AAStructureBindingModel binding = chimeraViewer.getBinding(); + JalviewChimeraBinding binding = (JalviewChimeraBinding) chimeraViewer + .getBinding(); do { try { Thread.sleep(500); } catch (InterruptedException e) - { - } + { + } } while (!binding.isFinishedInit()); + assertTrue(binding.isChimeraRunning(), "Failed to launch Chimera"); + assertEquals(binding.getPdbCount(), 1); /* @@ -181,6 +211,8 @@ public class JalviewChimeraView StructureSelectionManager ssm = binding.getSsm(); String pdbFile = binding.getPdbFile()[0]; StructureMapping[] mappings = ssm.getMapping(pdbFile); + assertTrue(mappings[0].getMappingDetailsOutput().contains("SIFTS"), + "Failed to perform SIFTS mapping"); assertEquals(mappings.length, 2); assertEquals(mappings[0].getChain(), "A"); assertEquals(mappings[0].getPDBResNum(53), 2); @@ -232,8 +264,7 @@ public class JalviewChimeraView */ // TODO rename and pull up method to binding interface // once functionality is added for Jmol as well - ((JalviewChimeraBinding) binding).sendFeaturesToChimera(af - .getViewport().getAlignPanel()); + binding.sendFeaturesToChimera(af.getViewport().getAlignPanel()); /* * give Chimera time to open the commands file and execute it @@ -248,8 +279,7 @@ public class JalviewChimeraView /* * ask Chimera for its residue attribute names */ - List reply = ((JalviewChimeraBinding) binding) - .sendChimeraCommand("list resattr", true); + List reply = binding.sendChimeraCommand("list resattr", true); // prefixed and sanitised attribute names for Jalview features: assertTrue(reply.contains("resattr jv_domain")); assertTrue(reply.contains("resattr jv_metal_ion_binding_site")); @@ -264,7 +294,7 @@ public class JalviewChimeraView * ask Chimera for residues with an attribute * 91 and 96 on sequence --> residues 40 and 45 on chains A and B */ - reply = ((JalviewChimeraBinding) binding).sendChimeraCommand( + reply = binding.sendChimeraCommand( "list resi att jv_metal_ion_binding_site", true); assertEquals(reply.size(), 4); assertTrue(reply @@ -280,8 +310,7 @@ public class JalviewChimeraView * check attributes with score values * sequence positions 62 and 65 --> residues 11 and 14 on chains A and B */ - reply = ((JalviewChimeraBinding) binding).sendChimeraCommand( - "list resi att jv_kd", true); + reply = binding.sendChimeraCommand("list resi att jv_kd", true); assertEquals(reply.size(), 4); assertTrue(reply.contains("residue id #0:11.A jv_kd -2.1 index 11")); assertTrue(reply.contains("residue id #0:14.A jv_kd 3.6 index 14")); @@ -291,12 +320,13 @@ public class JalviewChimeraView /* * list residues with positive kd score */ - reply = ((JalviewChimeraBinding) binding).sendChimeraCommand( + reply = binding.sendChimeraCommand( "list resi spec :*/jv_kd>0 attr jv_kd", true); assertEquals(reply.size(), 2); assertTrue(reply.contains("residue id #0:14.A jv_kd 3.6 index 14")); assertTrue(reply.contains("residue id #0:14.B jv_kd 3.6 index 14")); + SiftsClient.setMockSiftsFile(null); chimeraViewer.closeViewer(true); chimeraViewer = null; } -- 1.7.10.2