USER MOD reduce.3.24.130724 H: found=0, std=0, add=1839, rem=0, adj=75 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER LIPID BINDING PROTEIN 22-JAN-10 3LHN TITLE CRYSTAL STRUCTURE OF PUTATIVE LIPOPROTEIN (NP_718719.1) FROM TITLE 2 SHEWANELLA ONEIDENSIS AT 1.42 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: LIPOPROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 26-150; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; SOURCE 3 ORGANISM_TAXID: 70863; SOURCE 4 GENE: SO_3163; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDETS KEYWDS STRUCTURAL GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, PSI-2, LIPID BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) REVDAT 2 13-JUL-11 3LHN 1 VERSN REVDAT 1 23-FEB-10 3LHN 0 JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) JRNL TITL CRYSTAL STRUCTURE OF PUTATIVE LIPOPROTEIN (NP_718719.1) FROM JRNL TITL 2 SHEWANELLA ONEIDENSIS AT 1.42 A RESOLUTION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.42 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0053 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.42 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.42 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 3 NUMBER OF REFLECTIONS : 43647 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) : 0.173 REMARK 3 R VALUE (WORKING SET) : 0.172 REMARK 3 FREE R VALUE : 0.181 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2191 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) : 1.42 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.46 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2950 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.92 REMARK 3 BIN R VALUE (WORKING SET) : 0.2860 REMARK 3 BIN FREE R VALUE SET COUNT : 150 REMARK 3 BIN FREE R VALUE : 0.2610 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1622 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 17 REMARK 3 SOLVENT ATOMS : 228 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 16.81 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.71 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.82000 REMARK 3 B22 (A**2) : 0.82000 REMARK 3 B33 (A**2) : -1.23000 REMARK 3 B12 (A**2) : 0.41000 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): 0.063 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.059 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.039 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.231 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.966 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.967 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1928 ; 0.018 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 1295 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2620 ; 1.772 ; 1.986 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3202 ; 0.910 ; 3.002 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 261 ; 5.672 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 77 ;28.708 ;26.753 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 351 ;11.864 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 2 ;12.091 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 279 ; 0.084 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2239 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 355 ; 0.002 ; 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): 1218 ; 1.195 ; 2.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 509 ; 0.303 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1967 ; 2.027 ; 3.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 710 ; 1.881 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 653 ; 3.036 ; 3.000 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 44 A 150 REMARK 3 ORIGIN FOR THE GROUP (A): 32.0832 7.6596 14.7783 REMARK 3 T TENSOR REMARK 3 T11: 0.0441 T22: 0.0824 REMARK 3 T33: 0.0404 T12: -0.0116 REMARK 3 T13: 0.0027 T23: -0.0521 REMARK 3 L TENSOR REMARK 3 L11: 0.6454 L22: 0.2618 REMARK 3 L33: 1.0076 L12: 0.0363 REMARK 3 L13: 0.3905 L23: -0.2672 REMARK 3 S TENSOR REMARK 3 S11: -0.0055 S12: -0.0402 S13: 0.0278 REMARK 3 S21: 0.0123 S22: 0.0413 S23: -0.0430 REMARK 3 S31: -0.0766 S32: 0.1048 S33: -0.0358 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 44 B 150 REMARK 3 ORIGIN FOR THE GROUP (A): 48.2855 15.9082 37.0162 REMARK 3 T TENSOR REMARK 3 T11: 0.0085 T22: 0.0376 REMARK 3 T33: 0.0290 T12: 0.0043 REMARK 3 T13: -0.0138 T23: -0.0117 REMARK 3 L TENSOR REMARK 3 L11: 0.6816 L22: 0.4773 REMARK 3 L33: 1.6501 L12: 0.3125 REMARK 3 L13: 0.3135 L23: 0.5569 REMARK 3 S TENSOR REMARK 3 S11: -0.0246 S12: 0.0452 S13: -0.0193 REMARK 3 S21: -0.0603 S22: -0.0255 S23: 0.0826 REMARK 3 S31: -0.0561 S32: -0.1258 S33: 0.0501 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: 1.HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS REMARK 3 ONLY. 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE REMARK 3 ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 TO ACCOUNT FOR THE REMARK 3 REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 4.A REMARK 3 SULFATE ION(SO4) FROM CRYSTALLIZATION AND GLYCEROL MOLECULES(GOL) REMARK 3 FROM CRYOPROTECTANT ARE MODELED IN THE STRUCTURE. REMARK 4 REMARK 4 3LHN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-JAN-10. REMARK 100 THE RCSB ID CODE IS RCSB057288. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-JUL-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL11-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.91837,0.97932,0.97882 REMARK 200 MONOCHROMATOR : SINGLE CRYSTAL SI(111) BENT REMARK 200 MONOCHROMATOR (HORIZONTAL REMARK 200 FOCUSING) REMARK 200 OPTICS : FLAT MIRROR (VERTICAL FOCUSING) REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 43813 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.420 REMARK 200 RESOLUTION RANGE LOW (A) : 28.421 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.03500 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 18.5200 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.42 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.47 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.3 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.49200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: DATA WERE SCALED USING XSCALE WITH FRIEDEL PAIRS KEPT AS REMARK 200 SEPARATE WHEN COMPUTING R-SYM, COMPLETENESS AND REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.02 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.6000M AMMONIUM SULFATE, 0.1M CITRIC REMARK 280 ACID PH 5.0, 0.001 M COPPER (II) CHLORIDE, NANODROP, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 REMARK 290 7555 Y,X,-Z+1/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+2/3 REMARK 290 10555 -Y,-X,-Z+5/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+1/6 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 100.16933 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 200.33867 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 150.25400 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 250.42333 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 50.08467 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 100.16933 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 200.33867 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 250.42333 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 150.25400 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 50.08467 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 300 REMARK: ANALYTICAL SIZE EXCLUSION CHROMATOGRAPHY SUGGESTS A DIMER REMARK 300 AS A SIGNIFICANT OLIGOMERIZATION STATE IN SOLUTION. CRYSTAL PACKING REMARK 300 SUPPORTS THE ASSIGNMENT OF A DIMER AS SIGNIFICANT OLIGOMERIZATION REMARK 300 STATES. 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: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7660 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 19140 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -57.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 350 BIOMT1 2 0.500000 0.866025 0.000000 0.00000 REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 50.08467 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2560 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10840 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -24.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 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 GLY A 0 REMARK 465 ALA A 26 REMARK 465 PRO A 27 REMARK 465 SER A 28 REMARK 465 GLN A 29 REMARK 465 GLY A 30 REMARK 465 ALA A 31 REMARK 465 THR A 32 REMARK 465 ALA A 33 REMARK 465 ASN A 34 REMARK 465 ALA A 35 REMARK 465 GLU A 36 REMARK 465 THR A 37 REMARK 465 GLN A 38 REMARK 465 THR A 39 REMARK 465 THR A 40 REMARK 465 ILE A 41 REMARK 465 PRO A 42 REMARK 465 GLY B 0 REMARK 465 ALA B 26 REMARK 465 PRO B 27 REMARK 465 SER B 28 REMARK 465 GLN B 29 REMARK 465 GLY B 30 REMARK 465 ALA B 31 REMARK 465 THR B 32 REMARK 465 ALA B 33 REMARK 465 ASN B 34 REMARK 465 ALA B 35 REMARK 465 GLU B 36 REMARK 465 THR B 37 REMARK 465 GLN B 38 REMARK 465 THR B 39 REMARK 465 THR B 40 REMARK 465 ILE B 41 REMARK 465 PRO B 42 REMARK 465 LEU B 43 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 43 CG CD1 CD2 REMARK 470 LYS A 90 CE NZ REMARK 470 LYS A 100 CD CE NZ REMARK 470 ARG A 134 CD NE CZ NH1 NH2 REMARK 470 GLU A 141 CD OE1 OE2 REMARK 470 LYS A 146 CE NZ REMARK 470 LYS B 96 CE NZ 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 65 44.68 -146.07 REMARK 500 SER B 65 45.51 -142.88 REMARK 500 GLU B 92 127.02 30.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 189 DISTANCE = 5.84 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 3 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 365930 RELATED DB: TARGETDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG REMARK 999 MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING REMARK 999 ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. THE CLONED REMARK 999 CONSTRUCT CONTAINS RESIDUES 26-150 OF THE FULL LENGTH PROTEIN. DBREF 3LHN A 26 150 UNP Q8ECH9 Q8ECH9_SHEON 26 150 DBREF 3LHN B 26 150 UNP Q8ECH9 Q8ECH9_SHEON 26 150 SEQADV 3LHN GLY A 0 UNP Q8ECH9 LEADER SEQUENCE SEQADV 3LHN GLY B 0 UNP Q8ECH9 LEADER SEQUENCE SEQRES 1 A 126 GLY ALA PRO SER GLN GLY ALA THR ALA ASN ALA GLU THR SEQRES 2 A 126 GLN THR THR ILE PRO LEU GLY ASP THR SER GLN ASN ALA SEQRES 3 A 126 LEU ASP TRP PRO GLY VAL TYR GLU GLY VAL LEU PRO CYS SEQRES 4 A 126 ALA SER CYS GLU GLY ILE GLN THR THR LEU THR LEU GLN SEQRES 5 A 126 ALA ASP ASN SER PHE GLU LEU LYS SER ILE TYR LEU GLY SEQRES 6 A 126 LYS ASP GLU SER ILE PHE LYS VAL ALA GLY LYS PHE ASP SEQRES 7 A 126 TRP ASP SER ASN GLY SER LYS ILE THR LEU SER ASP GLY SEQRES 8 A 126 SER LYS TYR LEU VAL GLY GLU ASN GLN LEU LEU MSE LEU SEQRES 9 A 126 ASP THR GLU GLY ASN ARG ILE THR GLY GLY LEU ALA GLU SEQRES 10 A 126 HIS TYR ILE LEU LYS LYS LYS GLY MSE SEQRES 1 B 126 GLY ALA PRO SER GLN GLY ALA THR ALA ASN ALA GLU THR SEQRES 2 B 126 GLN THR THR ILE PRO LEU GLY ASP THR SER GLN ASN ALA SEQRES 3 B 126 LEU ASP TRP PRO GLY VAL TYR GLU GLY VAL LEU PRO CYS SEQRES 4 B 126 ALA SER CYS GLU GLY ILE GLN THR THR LEU THR LEU GLN SEQRES 5 B 126 ALA ASP ASN SER PHE GLU LEU LYS SER ILE TYR LEU GLY SEQRES 6 B 126 LYS ASP GLU SER ILE PHE LYS VAL ALA GLY LYS PHE ASP SEQRES 7 B 126 TRP ASP SER ASN GLY SER LYS ILE THR LEU SER ASP GLY SEQRES 8 B 126 SER LYS TYR LEU VAL GLY GLU ASN GLN LEU LEU MSE LEU SEQRES 9 B 126 ASP THR GLU GLY ASN ARG ILE THR GLY GLY LEU ALA GLU SEQRES 10 B 126 HIS TYR ILE LEU LYS LYS LYS GLY MSE MODRES 3LHN MSE A 127 MET SELENOMETHIONINE MODRES 3LHN MSE A 150 MET SELENOMETHIONINE MODRES 3LHN MSE B 127 MET SELENOMETHIONINE MODRES 3LHN MSE B 150 MET SELENOMETHIONINE HET MSE A 127 16 HET MSE A 150 18 HET MSE B 127 16 HET MSE B 150 18 HET SO4 A 1 5 HET GOL A 2 12 HET GOL B 3 12 HETNAM MSE SELENOMETHIONINE HETNAM SO4 SULFATE ION HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 1 MSE 4(C5 H11 N O2 SE) FORMUL 3 SO4 O4 S 2- FORMUL 4 GOL 2(C3 H8 O3) FORMUL 6 HOH *228(H2 O) HELIX 1 1 THR A 46 LEU A 51 1 6 HELIX 2 2 LEU A 139 HIS A 142 5 4 HELIX 3 3 THR B 46 LEU B 51 1 6 HELIX 4 4 LEU B 139 HIS B 142 5 4 SHEET 1 A 9 GLY A 55 LEU A 61 0 SHEET 2 A 9 GLY A 68 LEU A 75 -1 O THR A 71 N GLY A 59 SHEET 3 A 9 SER A 80 LEU A 88 -1 O GLU A 82 N THR A 74 SHEET 4 A 9 SER A 93 TRP A 103 -1 O VAL A 97 N LEU A 83 SHEET 5 A 9 LYS A 109 LEU A 112 -1 O THR A 111 N ASP A 102 SHEET 6 A 9 LYS A 117 GLY A 121 -1 O TYR A 118 N ILE A 110 SHEET 7 A 9 GLN A 124 MSE A 127 -1 O GLN A 124 N GLY A 121 SHEET 8 A 9 ILE A 144 LYS A 147 -1 O LEU A 145 N LEU A 125 SHEET 9 A 9 GLY A 55 LEU A 61 -1 N GLU A 58 O LYS A 146 SHEET 1 B 9 SER B 93 LYS B 100 0 SHEET 2 B 9 SER B 80 TYR B 87 -1 N LEU B 83 O VAL B 97 SHEET 3 B 9 ILE B 69 LEU B 75 -1 N THR B 72 O LYS B 84 SHEET 4 B 9 GLY B 55 LEU B 61 -1 N GLY B 59 O THR B 71 SHEET 5 B 9 ILE B 144 LYS B 147 -1 O LYS B 146 N GLU B 58 SHEET 6 B 9 GLN B 124 MSE B 127 -1 N LEU B 125 O LEU B 145 SHEET 7 B 9 LYS B 117 GLY B 121 -1 N GLY B 121 O GLN B 124 SHEET 8 B 9 LYS B 109 THR B 111 -1 N ILE B 110 O TYR B 118 SHEET 9 B 9 ASP B 102 TRP B 103 -1 N ASP B 102 O THR B 111 SSBOND *** CYS A 63 CYS A 66 1555 1555 2.12 SSBOND *** CYS B 63 CYS B 66 1555 1555 2.13 LINK C LEU A 126 N AMSE A 127 1555 1555 1.34 LINK C LEU A 126 N BMSE A 127 1555 1555 1.33 LINK C AMSE A 127 N LEU A 128 1555 1555 1.32 LINK C BMSE A 127 N LEU A 128 1555 1555 1.33 LINK C AGLY A 149 N AMSE A 150 1555 1555 1.34 LINK C BGLY A 149 N BMSE A 150 1555 1555 1.34 LINK C LEU B 126 N AMSE B 127 1555 1555 1.33 LINK C LEU B 126 N BMSE B 127 1555 1555 1.32 LINK C AMSE B 127 N LEU B 128 1555 1555 1.33 LINK C BMSE B 127 N LEU B 128 1555 1555 1.33 LINK C GLY B 149 N AMSE B 150 1555 1555 1.33 LINK C GLY B 149 N BMSE B 150 1555 1555 1.33 SITE *** AC1 5 ASN A 133 ARG A 134 HOH A 177 HOH A 233 SITE *** AC1 5 LYS B 90 SITE *** AC2 10 VAL A 60 LEU A 61 PRO A 62 GLU A 67 SITE *** AC2 10 GLY A 68 HIS A 142 HOH A 153 HOH A 154 SITE *** AC2 10 HOH A 216 HOH A 263 SITE *** AC3 10 GLY A 138 VAL B 60 LEU B 61 PRO B 62 SITE *** AC3 10 GLU B 67 GLY B 68 HIS B 142 HOH B 207 SITE *** AC3 10 HOH B 221 HOH B 237 CRYST1 50.185 50.185 300.508 90.00 90.00 120.00 P 61 2 2 24 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 0.019926 0.011504 0.000000 0.00000 SCALE2 0.000000 0.023009 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003328 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 3 GOL O2 A: rot 160:sc= 0.00826 USER MOD Set 1.2: B 3 GOL O2 B: rot 110:sc= -1.51 USER MOD Set 1.3: B 3 GOL O3 A: rot 68:sc= 1.28 USER MOD Set 1.4: B 3 GOL O3 B: rot 94:sc= 1.61 USER MOD Set 1.5: B 142 HIS : no HE2:sc= 0.854 K(o=2.2,f=-20!) USER MOD Set 2.1: B 124 GLN : amide:sc= 2.77 K(o=3.6,f=-4!) USER MOD Set 2.2: B 146 LYS NZ B:NH3+ 174:sc= 0.846 (180deg=0) USER MOD Set 3.1: B 123 ASN : amide:sc= 0.172 K(o=0.99,f=-1.6) USER MOD Set 3.2: B 147 LYS NZ B:NH3+ -168:sc= 0.814 (180deg=0.461) USER MOD Set 4.1: B 116 SER OG A: rot -72:sc= 1.09 USER MOD Set 4.2: B 118 TYR OH A: rot -22:sc= 0.388 USER MOD Set 5.1: B 111 THR OG1 : rot 69:sc= 1.41 USER MOD Set 5.2: B 117 LYS NZ A:NH3+ 154:sc= 1.36 (180deg=-0.0372) USER MOD Set 6.1: A 123 ASN : amide:sc= 0.0823 K(o=1.5,f=-0.53) USER MOD Set 6.2: A 147 LYS NZ :NH3+ -172:sc= 1.4 (180deg=1.25) USER MOD Set 7.1: A 111 THR OG1 : rot 74:sc= 2.14 USER MOD Set 7.2: A 117 LYS NZ B:NH3+ -169:sc= 0.184 (180deg=-0.0327) USER MOD Set 8.1: A 2 GOL O1 A: rot 83:sc= 0.705 USER MOD Set 8.2: A 2 GOL O1 B: rot -49:sc= 1.31 USER MOD Set 8.3: A 2 GOL O2 A: rot -8:sc= 1.46! USER MOD Set 8.4: A 2 GOL O2 B: rot 144:sc= 2.82 USER MOD Set 8.5: A 142 HIS : no HD1:sc= 1.96! C(o=8.3!,f=-14!) USER MOD Single : A 2 GOL O3 A: rot -133:sc= 2.1 USER MOD Single : A 2 GOL O3 B: rot -99:sc= 2.72 USER MOD Single : A 46 THR OG1 : rot -86:sc= 1.04 USER MOD Single : A 47 SER OG : rot -106:sc= 0.908 USER MOD Single : A 48 GLN : amide:sc= 3.04 K(o=3,f=1.3) USER MOD Single : A 49 ASN : amide:sc= 0.572 K(o=0.57,f=-0.86) USER MOD Single : A 57 TYR OH : rot -8:sc= 2.34 USER MOD Single : A 65 SER OG : rot 85:sc= 1.36 USER MOD Single : A 70 GLN : amide:sc= 0.69 K(o=0.69,f=0.14) USER MOD Single : A 71 THR OG1 : rot 69:sc= 1.43 USER MOD Single : A 72 THR OG1 : rot -21:sc= 1.04 USER MOD Single : A 74 THR OG1 : rot 90:sc= 0.861 USER MOD Single : A 76 GLN : amide:sc= 1.88 K(o=1.9,f=0.097) USER MOD Single : A 79 ASN : amide:sc= 1.34 K(o=1.3,f=-1) USER MOD Single : A 80 SER OG : rot -80:sc= 1.22 USER MOD Single : A 84 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ B:NH3+ 151:sc= 1.14 (180deg=-0.683!) USER MOD Single : A 85 SER OG : rot -85:sc= 2.04 USER MOD Single : A 87 TYR OH : rot 39:sc= 1.84 USER MOD Single : A 93 SER OG : rot -89:sc= 1.14 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -77:sc= 0.977 USER MOD Single : A 106 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.2!) USER MOD Single : A 108 SER OG : rot 45:sc= 2.2 USER MOD Single : A 109 LYS NZ :NH3+ -178:sc= 1.7 (180deg=1.7) USER MOD Single : A 113 SER OG A: rot -79:sc= 0.211 USER MOD Single : A 113 SER OG B: rot 26:sc= 0.0131 USER MOD Single : A 116 SER OG A: rot -67:sc= 1.76 USER MOD Single : A 116 SER OG B: rot 150:sc= 1.83 USER MOD Single : A 117 LYS NZ A:NH3+ -131:sc= 1.31 (180deg=-0.628) USER MOD Single : A 118 TYR OH : rot 180:sc= 0.72 USER MOD Single : A 124 GLN : amide:sc= 1.59 X(o=1.6,f=1.7) USER MOD Single : A 130 THR OG1 : rot -69:sc= 0.581 USER MOD Single : A 133 ASN : amide:sc= 1.63 K(o=1.6,f=0.61) USER MOD Single : A 136 THR OG1 : rot -60:sc= 0.273 USER MOD Single : A 143 TYR OH : rot -9:sc= 2.22 USER MOD Single : A 148 LYS NZ :NH3+ 141:sc= 0.72 (180deg=0.163) USER MOD Single : B 3 GOL O1 A: rot 28:sc= 2.74 USER MOD Single : B 3 GOL O1 B: rot -131:sc= 2.29 USER MOD Single : B 46 THR OG1 : rot -167:sc= 0.823 USER MOD Single : B 47 SER OG : rot 164:sc= 0.635 USER MOD Single : B 48 GLN : amide:sc= 3.31 K(o=3.3,f=1.6) USER MOD Single : B 49 ASN : amide:sc= 0.644 K(o=0.64,f=-0.81) USER MOD Single : B 57 TYR OH : rot -32:sc= 1.52 USER MOD Single : B 65 SER OG : rot 68:sc= 0.521 USER MOD Single : B 70 GLN : amide:sc= 0.804 X(o=0.8,f=0.38) USER MOD Single : B 71 THR OG1 : rot 69:sc= 1.51 USER MOD Single : B 72 THR OG1 : rot 80:sc= 0.899 USER MOD Single : B 74 THR OG1 : rot 89:sc= 0.806 USER MOD Single : B 76 GLN : amide:sc= 2.19 K(o=2.2,f=-0.16) USER MOD Single : B 79 ASN : amide:sc= 1.28 K(o=1.3,f=-1.3) USER MOD Single : B 80 SER OG : rot -78:sc= 1.71 USER MOD Single : B 84 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 SER OG : rot -92:sc= 1.34 USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 90 LYS NZ :NH3+ -111:sc= 0.166 (180deg=0) USER MOD Single : B 93 SER OG A: rot 62:sc= 1.26 USER MOD Single : B 93 SER OG B: rot 82:sc= -0.198 USER MOD Single : B 100 LYS NZ :NH3+ -137:sc= 0.623 (180deg=-0.108) USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= 0.104 K(o=0.1,f=-0.8) USER MOD Single : B 108 SER OG : rot -171:sc= 2.3 USER MOD Single : B 109 LYS NZ :NH3+ 178:sc= 1.73 (180deg=1.73) USER MOD Single : B 113 SER OG : rot -90:sc= 0.221 USER MOD Single : B 116 SER OG B: rot 159:sc= 1.32 USER MOD Single : B 117 LYS NZ B:NH3+ -152:sc= 1.34 (180deg=1.23) USER MOD Single : B 118 TYR OH B: rot 90:sc= -0.192 USER MOD Single : B 130 THR OG1A: rot 74:sc= 0.454 USER MOD Single : B 130 THR OG1B: rot 180:sc= 0 USER MOD Single : B 133 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.1) USER MOD Single : B 136 THR OG1 : rot 91:sc= 1.13 USER MOD Single : B 143 TYR OH : rot -4:sc= 2.29 USER MOD Single : B 146 LYS NZ A:NH3+ -162:sc= 0.27 (180deg=0.156) USER MOD Single : B 147 LYS NZ A:NH3+ -162:sc= 1.44 (180deg=1.16) USER MOD Single : B 148 LYS NZ :NH3+ 168:sc= 0.579 (180deg=0.408) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 43 29.478 11.733 -12.336 1.00 32.93 N ATOM 2 CA LEU A 43 29.173 11.455 -10.897 1.00 31.77 C ATOM 3 C LEU A 43 30.441 11.069 -10.147 1.00 30.51 C ATOM 4 O LEU A 43 31.436 10.579 -10.737 1.00 32.81 O ATOM 5 CB LEU A 43 28.129 10.343 -10.745 1.00 32.61 C ATOM 0 HA LEU A 43 28.808 12.270 -10.517 1.00 31.77 H new ATOM 6 N GLY A 44 30.389 11.288 -8.832 1.00 25.39 N ATOM 7 CA GLY A 44 31.517 11.120 -7.995 1.00 21.00 C ATOM 8 C GLY A 44 31.845 9.704 -7.585 1.00 15.65 C ATOM 9 O GLY A 44 31.037 8.951 -7.022 1.00 12.02 O ATOM 0 H GLY A 44 29.679 11.541 -8.418 1.00 25.39 H new ATOM 0 HA2 GLY A 44 32.290 11.492 -8.448 1.00 21.00 H new ATOM 0 HA3 GLY A 44 31.380 11.645 -7.191 1.00 21.00 H new ATOM 10 N ASP A 45 33.085 9.363 -7.843 1.00 12.45 N ATOM 11 CA ASP A 45 33.653 8.098 -7.433 1.00 11.89 C ATOM 12 C ASP A 45 34.181 8.287 -6.030 1.00 9.98 C ATOM 13 O ASP A 45 35.357 8.526 -5.789 1.00 10.16 O ATOM 14 CB ASP A 45 34.760 7.711 -8.397 1.00 12.50 C ATOM 15 CG ASP A 45 35.335 6.384 -8.096 1.00 14.23 C ATOM 16 OD1 ASP A 45 34.912 5.701 -7.189 1.00 14.51 O ATOM 17 OD2 ASP A 45 36.312 6.018 -8.822 1.00 20.42 O ATOM 0 H ASP A 45 33.635 9.868 -8.270 1.00 12.45 H new ATOM 0 HA ASP A 45 32.996 7.384 -7.443 1.00 11.89 H new ATOM 0 HB2 ASP A 45 34.411 7.711 -9.302 1.00 12.50 H new ATOM 0 HB3 ASP A 45 35.462 8.379 -8.364 1.00 12.50 H new ATOM 18 N THR A 46 33.259 8.189 -5.086 1.00 8.62 N ATOM 19 CA THR A 46 33.495 8.482 -3.704 1.00 7.79 C ATOM 20 C THR A 46 33.022 7.374 -2.763 1.00 6.66 C ATOM 21 O THR A 46 32.177 6.551 -3.140 1.00 7.28 O ATOM 22 CB THR A 46 32.721 9.732 -3.268 1.00 7.34 C ATOM 23 OG1 THR A 46 31.319 9.472 -3.350 1.00 7.65 O ATOM 24 CG2 THR A 46 33.076 10.983 -4.175 1.00 8.67 C ATOM 0 H THR A 46 32.452 7.940 -5.248 1.00 8.62 H new ATOM 0 HA THR A 46 34.456 8.594 -3.640 1.00 7.79 H new ATOM 0 HB THR A 46 32.974 9.940 -2.355 1.00 7.34 H new ATOM 0 HG1 THR A 46 31.050 9.629 -4.130 1.00 7.65 H new ATOM 0 HG21 THR A 46 32.571 11.755 -3.874 1.00 8.67 H new ATOM 0 HG22 THR A 46 34.025 11.172 -4.109 1.00 8.67 H new ATOM 0 HG23 THR A 46 32.849 10.789 -5.098 1.00 8.67 H new ATOM 25 N SER A 47 33.541 7.357 -1.542 1.00 7.87 N ATOM 26 CA SER A 47 33.081 6.420 -0.552 1.00 8.46 C ATOM 27 C SER A 47 31.589 6.585 -0.249 1.00 7.86 C ATOM 28 O SER A 47 30.878 5.585 -0.033 1.00 7.47 O ATOM 29 CB SER A 47 33.835 6.572 0.729 1.00 9.83 C ATOM 30 OG SER A 47 35.202 6.296 0.498 1.00 12.62 O ATOM 0 H SER A 47 34.164 7.886 -1.274 1.00 7.87 H new ATOM 0 HA SER A 47 33.234 5.539 -0.928 1.00 8.46 H new ATOM 0 HB2 SER A 47 33.729 7.472 1.074 1.00 9.83 H new ATOM 0 HB3 SER A 47 33.480 5.967 1.400 1.00 9.83 H new ATOM 0 HG SER A 47 35.396 5.547 0.825 1.00 12.62 H new ATOM 31 N GLN A 48 31.096 7.829 -0.229 1.00 6.93 N ATOM 32 CA GLN A 48 29.711 8.109 -0.012 1.00 6.12 C ATOM 33 C GLN A 48 28.806 7.363 -1.008 1.00 6.59 C ATOM 34 O GLN A 48 27.703 6.888 -0.646 1.00 7.34 O ATOM 35 CB GLN A 48 29.528 9.627 -0.096 1.00 7.11 C ATOM 36 CG GLN A 48 28.137 10.107 0.180 1.00 6.77 C ATOM 37 CD GLN A 48 28.022 11.624 0.124 1.00 7.65 C ATOM 38 OE1 GLN A 48 28.934 12.311 -0.318 1.00 8.72 O ATOM 39 NE2 GLN A 48 26.890 12.132 0.613 1.00 8.94 N ATOM 0 H GLN A 48 31.579 8.531 -0.345 1.00 6.93 H new ATOM 0 HA GLN A 48 29.443 7.790 0.864 1.00 6.12 H new ATOM 0 HB2 GLN A 48 30.133 10.049 0.534 1.00 7.11 H new ATOM 0 HB3 GLN A 48 29.789 9.923 -0.982 1.00 7.11 H new ATOM 0 HG2 GLN A 48 27.529 9.715 -0.466 1.00 6.77 H new ATOM 0 HG3 GLN A 48 27.859 9.797 1.056 1.00 6.77 H new ATOM 0 HE21 GLN A 48 26.278 11.608 0.913 1.00 8.94 H new ATOM 0 HE22 GLN A 48 26.772 12.984 0.629 1.00 8.94 H new ATOM 40 N ASN A 49 29.279 7.240 -2.240 1.00 6.19 N ATOM 41 CA ASN A 49 28.519 6.575 -3.281 1.00 6.73 C ATOM 42 C ASN A 49 28.821 5.091 -3.375 1.00 7.76 C ATOM 43 O ASN A 49 28.014 4.354 -3.936 1.00 9.81 O ATOM 44 CB ASN A 49 28.737 7.291 -4.621 1.00 7.03 C ATOM 45 CG ASN A 49 28.099 8.671 -4.648 1.00 8.15 C ATOM 46 OD1 ASN A 49 27.172 8.968 -3.881 1.00 8.55 O ATOM 47 ND2 ASN A 49 28.636 9.559 -5.534 1.00 8.73 N ATOM 0 H ASN A 49 30.045 7.538 -2.493 1.00 6.19 H new ATOM 0 HA ASN A 49 27.580 6.633 -3.045 1.00 6.73 H new ATOM 0 HB2 ASN A 49 29.689 7.373 -4.790 1.00 7.03 H new ATOM 0 HB3 ASN A 49 28.367 6.752 -5.337 1.00 7.03 H new ATOM 0 HD21 ASN A 49 28.331 10.362 -5.576 1.00 8.73 H new ATOM 0 HD22 ASN A 49 29.279 9.316 -6.050 1.00 8.73 H new ATOM 48 N ALA A 50 29.960 4.651 -2.881 1.00 6.49 N ATOM 49 CA ALA A 50 30.406 3.270 -3.019 1.00 6.41 C ATOM 50 C ALA A 50 29.957 2.359 -1.909 1.00 6.74 C ATOM 51 O ALA A 50 29.765 1.167 -2.153 1.00 7.55 O ATOM 52 CB ALA A 50 31.920 3.200 -3.065 1.00 6.37 C ATOM 0 H ALA A 50 30.510 5.151 -2.447 1.00 6.49 H new ATOM 0 HA ALA A 50 30.000 2.965 -3.846 1.00 6.41 H new ATOM 0 HB1 ALA A 50 32.199 2.275 -3.157 1.00 6.37 H new ATOM 0 HB2 ALA A 50 32.245 3.712 -3.822 1.00 6.37 H new ATOM 0 HB3 ALA A 50 32.286 3.568 -2.245 1.00 6.37 H new ATOM 53 N LEU A 51 29.838 2.890 -0.710 1.00 6.39 N ATOM 54 CA LEU A 51 29.674 2.077 0.486 1.00 6.73 C ATOM 55 C LEU A 51 28.224 1.988 0.942 1.00 7.74 C ATOM 56 O LEU A 51 27.459 2.936 0.790 1.00 7.57 O ATOM 57 CB LEU A 51 30.463 2.672 1.655 1.00 8.15 C ATOM 58 CG LEU A 51 31.985 2.762 1.511 1.00 9.64 C ATOM 59 CD1 LEU A 51 32.685 3.431 2.686 1.00 11.99 C ATOM 60 CD2 LEU A 51 32.553 1.362 1.308 1.00 12.77 C ATOM 0 H LEU A 51 29.850 3.737 -0.561 1.00 6.39 H new ATOM 0 HA LEU A 51 29.996 1.194 0.246 1.00 6.73 H new ATOM 0 HB2 LEU A 51 30.125 3.566 1.819 1.00 8.15 H new ATOM 0 HB3 LEU A 51 30.268 2.145 2.446 1.00 8.15 H new ATOM 0 HG LEU A 51 32.155 3.327 0.741 1.00 9.64 H new ATOM 0 HD11 LEU A 51 33.641 3.451 2.524 1.00 11.99 H new ATOM 0 HD12 LEU A 51 32.355 4.338 2.786 1.00 11.99 H new ATOM 0 HD13 LEU A 51 32.505 2.931 3.497 1.00 11.99 H new ATOM 0 HD21 LEU A 51 33.517 1.414 1.216 1.00 12.77 H new ATOM 0 HD22 LEU A 51 32.331 0.808 2.073 1.00 12.77 H new ATOM 0 HD23 LEU A 51 32.173 0.972 0.506 1.00 12.77 H new ATOM 61 N ASP A 52 27.876 0.859 1.542 1.00 7.11 N ATOM 62 CA ASP A 52 26.591 0.684 2.214 1.00 8.18 C ATOM 63 C ASP A 52 26.871 1.219 3.637 1.00 8.69 C ATOM 64 O ASP A 52 27.038 0.470 4.614 1.00 9.78 O ATOM 65 CB ASP A 52 26.093 -0.756 2.246 1.00 11.11 C ATOM 66 CG ASP A 52 24.764 -0.879 2.994 1.00 17.13 C ATOM 67 OD1 ASP A 52 24.088 0.145 3.122 1.00 19.83 O ATOM 68 OD2 ASP A 52 24.444 -2.005 3.418 1.00 22.43 O ATOM 0 H ASP A 52 28.382 0.164 1.572 1.00 7.11 H new ATOM 0 HA ASP A 52 25.879 1.149 1.747 1.00 8.18 H new ATOM 0 HB2 ASP A 52 25.985 -1.082 1.339 1.00 11.11 H new ATOM 0 HB3 ASP A 52 26.758 -1.319 2.672 1.00 11.11 H new ATOM 69 N TRP A 53 26.965 2.528 3.743 1.00 7.05 N ATOM 70 CA TRP A 53 27.344 3.194 5.008 1.00 7.08 C ATOM 71 C TRP A 53 26.194 3.445 5.997 1.00 7.78 C ATOM 72 O TRP A 53 26.456 3.530 7.158 1.00 7.88 O ATOM 73 CB TRP A 53 28.184 4.471 4.789 1.00 7.13 C ATOM 74 CG TRP A 53 27.514 5.486 3.876 1.00 7.94 C ATOM 75 CD1 TRP A 53 27.715 5.652 2.537 1.00 7.14 C ATOM 76 CD2 TRP A 53 26.488 6.413 4.244 1.00 7.27 C ATOM 77 NE1 TRP A 53 26.861 6.601 2.043 1.00 8.01 N ATOM 78 CE2 TRP A 53 26.118 7.104 3.069 1.00 8.07 C ATOM 79 CE3 TRP A 53 25.828 6.717 5.451 1.00 7.43 C ATOM 80 CZ2 TRP A 53 25.146 8.095 3.063 1.00 8.71 C ATOM 81 CZ3 TRP A 53 24.868 7.689 5.441 1.00 8.59 C ATOM 82 CH2 TRP A 53 24.521 8.359 4.243 1.00 8.21 C ATOM 0 H TRP A 53 26.814 3.070 3.093 1.00 7.05 H new ATOM 0 HA TRP A 53 27.907 2.533 5.441 1.00 7.08 H new ATOM 0 HB2 TRP A 53 28.360 4.886 5.648 1.00 7.13 H new ATOM 0 HB3 TRP A 53 29.043 4.224 4.412 1.00 7.13 H new ATOM 0 HD1 TRP A 53 28.342 5.187 2.032 1.00 7.14 H new ATOM 0 HE1 TRP A 53 26.803 6.841 1.219 1.00 8.01 H new ATOM 0 HE3 TRP A 53 26.041 6.267 6.236 1.00 7.43 H new ATOM 0 HZ2 TRP A 53 24.931 8.559 2.286 1.00 8.71 H new ATOM 0 HZ3 TRP A 53 24.436 7.914 6.233 1.00 8.59 H new ATOM 0 HH2 TRP A 53 23.846 8.998 4.263 1.00 8.21 H new ATOM 83 N PRO A 54 24.940 3.614 5.555 1.00 6.54 N ATOM 84 CA PRO A 54 23.851 3.741 6.573 1.00 7.74 C ATOM 85 C PRO A 54 23.877 2.488 7.464 1.00 8.41 C ATOM 86 O PRO A 54 23.967 1.383 6.979 1.00 9.16 O ATOM 87 CB PRO A 54 22.578 3.862 5.721 1.00 7.77 C ATOM 88 CG PRO A 54 23.045 4.417 4.441 1.00 7.76 C ATOM 89 CD PRO A 54 24.383 3.728 4.181 1.00 6.96 C ATOM 0 HA PRO A 54 23.928 4.497 7.176 1.00 7.74 H new ATOM 0 HB2 PRO A 54 22.152 2.999 5.598 1.00 7.77 H new ATOM 0 HB3 PRO A 54 21.925 4.443 6.141 1.00 7.77 H new ATOM 0 HG2 PRO A 54 22.412 4.238 3.728 1.00 7.76 H new ATOM 0 HG3 PRO A 54 23.149 5.380 4.492 1.00 7.76 H new ATOM 0 HD2 PRO A 54 24.270 2.861 3.761 1.00 6.96 H new ATOM 0 HD3 PRO A 54 24.955 4.252 3.599 1.00 6.96 H new ATOM 90 N GLY A 55 23.823 2.698 8.756 1.00 7.33 N ATOM 91 CA GLY A 55 23.891 1.604 9.686 1.00 8.01 C ATOM 92 C GLY A 55 24.421 2.018 11.032 1.00 6.95 C ATOM 93 O GLY A 55 24.524 3.213 11.342 1.00 7.89 O ATOM 0 H GLY A 55 23.746 3.474 9.118 1.00 7.33 H new ATOM 0 HA2 GLY A 55 23.006 1.221 9.795 1.00 8.01 H new ATOM 0 HA3 GLY A 55 24.458 0.908 9.319 1.00 8.01 H new ATOM 94 N VAL A 56 24.707 1.011 11.844 1.00 6.75 N ATOM 95 CA VAL A 56 25.074 1.157 13.221 1.00 6.10 C ATOM 96 C VAL A 56 26.497 0.715 13.443 1.00 6.21 C ATOM 97 O VAL A 56 26.889 -0.375 13.031 1.00 7.77 O ATOM 98 CB VAL A 56 24.146 0.298 14.102 1.00 6.55 C ATOM 99 CG1 VAL A 56 24.478 0.419 15.607 1.00 9.00 C ATOM 100 CG2 VAL A 56 22.667 0.666 13.844 1.00 8.15 C ATOM 0 H VAL A 56 24.689 0.191 11.586 1.00 6.75 H new ATOM 0 HA VAL A 56 24.989 2.093 13.459 1.00 6.10 H new ATOM 0 HB VAL A 56 24.294 -0.628 13.853 1.00 6.55 H new ATOM 0 HG11 VAL A 56 23.870 -0.137 16.118 1.00 9.00 H new ATOM 0 HG12 VAL A 56 25.390 0.127 15.762 1.00 9.00 H new ATOM 0 HG13 VAL A 56 24.383 1.343 15.886 1.00 9.00 H new ATOM 0 HG21 VAL A 56 22.095 0.119 14.404 1.00 8.15 H new ATOM 0 HG22 VAL A 56 22.525 1.602 14.054 1.00 8.15 H new ATOM 0 HG23 VAL A 56 22.452 0.508 12.911 1.00 8.15 H new ATOM 101 N TYR A 57 27.290 1.538 14.084 1.00 6.45 N ATOM 102 CA TYR A 57 28.715 1.301 14.323 1.00 6.42 C ATOM 103 C TYR A 57 29.018 1.401 15.784 1.00 8.38 C ATOM 104 O TYR A 57 28.461 2.302 16.481 1.00 8.76 O ATOM 105 CB TYR A 57 29.517 2.353 13.550 1.00 6.73 C ATOM 106 CG TYR A 57 29.272 2.365 12.049 1.00 6.59 C ATOM 107 CD1 TYR A 57 28.192 3.083 11.506 1.00 6.68 C ATOM 108 CD2 TYR A 57 30.149 1.713 11.186 1.00 7.39 C ATOM 109 CE1 TYR A 57 27.949 3.073 10.167 1.00 8.20 C ATOM 110 CE2 TYR A 57 29.946 1.720 9.831 1.00 7.14 C ATOM 111 CZ TYR A 57 28.835 2.413 9.330 1.00 8.29 C ATOM 112 OH TYR A 57 28.651 2.460 7.945 1.00 8.82 O ATOM 0 H TYR A 57 27.014 2.284 14.410 1.00 6.45 H new ATOM 0 HA TYR A 57 28.955 0.411 14.022 1.00 6.42 H new ATOM 0 HB2 TYR A 57 29.305 3.230 13.907 1.00 6.73 H new ATOM 0 HB3 TYR A 57 30.462 2.203 13.710 1.00 6.73 H new ATOM 0 HD1 TYR A 57 27.636 3.571 12.069 1.00 6.68 H new ATOM 0 HD2 TYR A 57 30.885 1.265 11.535 1.00 7.39 H new ATOM 0 HE1 TYR A 57 27.201 3.502 9.819 1.00 8.20 H new ATOM 0 HE2 TYR A 57 30.530 1.277 9.259 1.00 7.14 H new ATOM 0 HH TYR A 57 27.913 2.822 7.772 1.00 8.82 H new ATOM 113 N GLU A 58 29.858 0.502 16.287 1.00 7.65 N ATOM 114 CA GLU A 58 30.114 0.428 17.712 1.00 8.84 C ATOM 115 C GLU A 58 31.588 0.300 18.024 1.00 7.58 C ATOM 116 O GLU A 58 32.367 -0.318 17.249 1.00 8.82 O ATOM 117 CB GLU A 58 29.411 -0.821 18.267 1.00 11.38 C ATOM 118 CG GLU A 58 27.900 -0.777 18.162 1.00 16.35 C ATOM 119 CD GLU A 58 27.195 -2.031 18.666 1.00 20.06 C ATOM 120 OE1 GLU A 58 27.818 -3.089 18.790 1.00 25.21 O ATOM 121 OE2 GLU A 58 25.981 -1.966 18.874 1.00 25.12 O ATOM 0 H GLU A 58 30.289 -0.074 15.815 1.00 7.65 H new ATOM 0 HA GLU A 58 29.784 1.247 18.114 1.00 8.84 H new ATOM 0 HB2 GLU A 58 29.736 -1.602 17.792 1.00 11.38 H new ATOM 0 HB3 GLU A 58 29.658 -0.933 19.198 1.00 11.38 H new ATOM 0 HG2 GLU A 58 27.574 -0.013 18.663 1.00 16.35 H new ATOM 0 HG3 GLU A 58 27.656 -0.633 17.234 1.00 16.35 H new ATOM 122 N GLY A 59 31.998 0.865 19.146 1.00 7.80 N ATOM 123 CA GLY A 59 33.337 0.683 19.637 1.00 7.64 C ATOM 124 C GLY A 59 33.467 1.277 21.015 1.00 8.55 C ATOM 125 O GLY A 59 32.492 1.757 21.558 1.00 10.29 O ATOM 0 H GLY A 59 31.503 1.364 19.641 1.00 7.80 H new ATOM 0 HA2 GLY A 59 33.554 -0.262 19.662 1.00 7.64 H new ATOM 0 HA3 GLY A 59 33.970 1.104 19.034 1.00 7.64 H new ATOM 126 N VAL A 60 34.654 1.178 21.602 1.00 8.47 N ATOM 127 CA VAL A 60 34.937 1.765 22.900 1.00 9.55 C ATOM 128 C VAL A 60 36.113 2.738 22.700 1.00 8.55 C ATOM 129 O VAL A 60 37.243 2.327 22.479 1.00 10.07 O ATOM 130 CB VAL A 60 35.253 0.761 23.989 1.00 10.08 C ATOM 131 CG1 VAL A 60 35.476 1.554 25.338 1.00 11.66 C ATOM 132 CG2 VAL A 60 34.123 -0.295 24.159 1.00 12.81 C ATOM 0 H VAL A 60 35.322 0.764 21.253 1.00 8.47 H new ATOM 0 HA VAL A 60 34.136 2.213 23.214 1.00 9.55 H new ATOM 0 HB VAL A 60 36.053 0.271 23.743 1.00 10.08 H new ATOM 0 HG11 VAL A 60 35.680 0.929 26.051 1.00 11.66 H new ATOM 0 HG12 VAL A 60 36.214 2.174 25.231 1.00 11.66 H new ATOM 0 HG13 VAL A 60 34.671 2.046 25.561 1.00 11.66 H new ATOM 0 HG21 VAL A 60 34.364 -0.917 24.864 1.00 12.81 H new ATOM 0 HG22 VAL A 60 33.294 0.152 24.392 1.00 12.81 H new ATOM 0 HG23 VAL A 60 34.005 -0.780 23.327 1.00 12.81 H new ATOM 133 N LEU A 61 35.812 4.026 22.695 1.00 8.63 N ATOM 134 CA LEU A 61 36.765 5.066 22.371 1.00 9.28 C ATOM 135 C LEU A 61 37.510 5.486 23.624 1.00 8.44 C ATOM 136 O LEU A 61 36.991 5.369 24.751 1.00 9.17 O ATOM 137 CB LEU A 61 36.027 6.288 21.823 1.00 9.76 C ATOM 138 CG LEU A 61 35.277 6.196 20.485 1.00 10.98 C ATOM 139 CD1 LEU A 61 34.425 7.415 20.216 1.00 12.06 C ATOM 140 CD2 LEU A 61 36.231 5.951 19.335 1.00 11.94 C ATOM 0 H LEU A 61 35.028 4.325 22.885 1.00 8.63 H new ATOM 0 HA LEU A 61 37.387 4.724 21.710 1.00 9.28 H new ATOM 0 HB2 LEU A 61 35.384 6.563 22.496 1.00 9.76 H new ATOM 0 HB3 LEU A 61 36.676 7.004 21.741 1.00 9.76 H new ATOM 0 HG LEU A 61 34.679 5.436 20.557 1.00 10.98 H new ATOM 0 HD11 LEU A 61 33.973 7.312 19.364 1.00 12.06 H new ATOM 0 HD12 LEU A 61 33.767 7.512 20.922 1.00 12.06 H new ATOM 0 HD13 LEU A 61 34.988 8.204 20.189 1.00 12.06 H new ATOM 0 HD21 LEU A 61 35.731 5.898 18.505 1.00 11.94 H new ATOM 0 HD22 LEU A 61 36.868 6.681 19.282 1.00 11.94 H new ATOM 0 HD23 LEU A 61 36.706 5.118 19.480 1.00 11.94 H new ATOM 141 N PRO A 62 38.720 6.037 23.465 1.00 7.80 N ATOM 142 CA PRO A 62 39.399 6.565 24.630 1.00 7.97 C ATOM 143 C PRO A 62 38.683 7.740 25.228 1.00 8.95 C ATOM 144 O PRO A 62 38.087 8.531 24.512 1.00 9.57 O ATOM 145 CB PRO A 62 40.778 7.003 24.055 1.00 8.11 C ATOM 146 CG PRO A 62 40.948 6.129 22.859 1.00 8.18 C ATOM 147 CD PRO A 62 39.579 6.082 22.263 1.00 8.06 C ATOM 0 HA PRO A 62 39.455 5.916 25.349 1.00 7.97 H new ATOM 0 HB2 PRO A 62 40.783 7.943 23.815 1.00 8.11 H new ATOM 0 HB3 PRO A 62 41.492 6.871 24.698 1.00 8.11 H new ATOM 0 HG2 PRO A 62 41.596 6.497 22.237 1.00 8.18 H new ATOM 0 HG3 PRO A 62 41.261 5.244 23.105 1.00 8.18 H new ATOM 0 HD2 PRO A 62 39.395 6.861 21.715 1.00 8.06 H new ATOM 0 HD3 PRO A 62 39.455 5.302 21.699 1.00 8.06 H new ATOM 148 N CYS A 63 38.791 7.872 26.549 1.00 9.11 N ATOM 149 CA CYS A 63 38.081 8.921 27.286 1.00 9.31 C ATOM 150 C CYS A 63 39.093 9.824 27.956 1.00 10.06 C ATOM 151 O CYS A 63 40.010 9.331 28.571 1.00 9.05 O ATOM 152 CB CYS A 63 37.207 8.252 28.317 1.00 9.39 C ATOM 153 SG CYS A 63 36.132 9.372 29.247 1.00 11.22 S ATOM 0 H CYS A 63 39.275 7.360 27.042 1.00 9.11 H new ATOM 0 HA CYS A 63 37.534 9.457 26.691 1.00 9.31 H new ATOM 0 HB2 CYS A 63 36.655 7.589 27.873 1.00 9.39 H new ATOM 0 HB3 CYS A 63 37.774 7.775 28.943 1.00 9.39 H new ATOM 154 N ALA A 64 38.954 11.137 27.831 1.00 8.95 N ATOM 155 CA ALA A 64 39.933 12.040 28.449 1.00 8.21 C ATOM 156 C ALA A 64 40.064 11.851 29.957 1.00 8.31 C ATOM 157 O ALA A 64 41.166 11.978 30.511 1.00 7.68 O ATOM 158 CB ALA A 64 39.592 13.487 28.164 1.00 11.14 C ATOM 0 H ALA A 64 38.317 11.525 27.403 1.00 8.95 H new ATOM 0 HA ALA A 64 40.786 11.810 28.048 1.00 8.21 H new ATOM 0 HB1 ALA A 64 40.251 14.063 28.581 1.00 11.14 H new ATOM 0 HB2 ALA A 64 39.592 13.637 27.206 1.00 11.14 H new ATOM 0 HB3 ALA A 64 38.713 13.689 28.522 1.00 11.14 H new ATOM 159 N SER A 65 38.961 11.536 30.635 1.00 9.48 N ATOM 160 CA SER A 65 39.053 11.389 32.099 1.00 10.50 C ATOM 161 C SER A 65 38.132 10.333 32.651 1.00 10.90 C ATOM 162 O SER A 65 37.531 10.497 33.710 1.00 11.19 O ATOM 163 CB SER A 65 38.797 12.731 32.808 1.00 12.94 C ATOM 164 OG SER A 65 37.483 13.138 32.552 1.00 16.18 O ATOM 0 H SER A 65 38.183 11.407 30.292 1.00 9.48 H new ATOM 0 HA SER A 65 39.960 11.097 32.278 1.00 10.50 H new ATOM 0 HB2 SER A 65 38.939 12.638 33.763 1.00 12.94 H new ATOM 0 HB3 SER A 65 39.423 13.401 32.492 1.00 12.94 H new ATOM 0 HG SER A 65 36.965 12.778 33.107 1.00 16.18 H new ATOM 165 N CYS A 66 38.116 9.206 31.974 1.00 9.08 N ATOM 166 CA CYS A 66 37.303 8.073 32.396 1.00 9.72 C ATOM 167 C CYS A 66 37.796 6.827 31.711 1.00 9.56 C ATOM 168 O CYS A 66 38.686 6.876 30.863 1.00 8.33 O ATOM 169 CB CYS A 66 35.832 8.360 32.156 1.00 10.62 C ATOM 170 SG CYS A 66 35.137 8.015 30.534 1.00 11.02 S ATOM 0 H CYS A 66 38.572 9.069 31.258 1.00 9.08 H new ATOM 0 HA CYS A 66 37.391 7.926 33.351 1.00 9.72 H new ATOM 0 HB2 CYS A 66 35.323 7.853 32.808 1.00 10.62 H new ATOM 0 HB3 CYS A 66 35.681 9.299 32.347 1.00 10.62 H new ATOM 171 N GLU A 67 37.199 5.705 32.082 1.00 8.90 N ATOM 172 CA GLU A 67 37.681 4.423 31.612 1.00 9.28 C ATOM 173 C GLU A 67 37.642 4.293 30.093 1.00 9.52 C ATOM 174 O GLU A 67 38.525 3.699 29.468 1.00 9.24 O ATOM 175 CB GLU A 67 36.847 3.323 32.282 1.00 9.68 C ATOM 176 CG GLU A 67 37.014 1.975 31.604 1.00 12.60 C ATOM 177 CD GLU A 67 36.361 0.844 32.347 1.00 15.54 C ATOM 178 OE1 GLU A 67 36.193 0.937 33.575 1.00 17.62 O ATOM 179 OE2 GLU A 67 36.120 -0.166 31.669 1.00 20.13 O ATOM 0 H GLU A 67 36.516 5.666 32.603 1.00 8.90 H new ATOM 0 HA GLU A 67 38.616 4.337 31.855 1.00 9.28 H new ATOM 0 HB2 GLU A 67 37.105 3.247 33.214 1.00 9.68 H new ATOM 0 HB3 GLU A 67 35.911 3.576 32.267 1.00 9.68 H new ATOM 0 HG2 GLU A 67 36.641 2.023 30.710 1.00 12.60 H new ATOM 0 HG3 GLU A 67 37.960 1.785 31.507 1.00 12.60 H new ATOM 180 N GLY A 68 36.576 4.788 29.460 1.00 8.45 N ATOM 181 CA GLY A 68 36.423 4.671 28.045 1.00 8.86 C ATOM 182 C GLY A 68 35.003 5.091 27.674 1.00 8.12 C ATOM 183 O GLY A 68 34.184 5.289 28.564 1.00 9.43 O ATOM 0 H GLY A 68 35.931 5.198 29.854 1.00 8.45 H new ATOM 0 HA2 GLY A 68 37.070 5.231 27.589 1.00 8.86 H new ATOM 0 HA3 GLY A 68 36.589 3.758 27.762 1.00 8.86 H new ATOM 184 N ILE A 69 34.740 5.204 26.382 1.00 8.62 N ATOM 185 CA ILE A 69 33.431 5.670 25.931 1.00 8.24 C ATOM 186 C ILE A 69 32.816 4.575 25.056 1.00 8.83 C ATOM 187 O ILE A 69 33.225 4.415 23.888 1.00 9.03 O ATOM 188 CB ILE A 69 33.474 6.969 25.151 1.00 9.52 C ATOM 189 CG1 ILE A 69 34.367 8.029 25.816 1.00 10.61 C ATOM 190 CG2 ILE A 69 32.055 7.518 25.016 1.00 10.19 C ATOM 191 CD1 ILE A 69 34.571 9.268 24.939 1.00 13.38 C ATOM 0 H ILE A 69 35.296 5.019 25.753 1.00 8.62 H new ATOM 0 HA ILE A 69 32.899 5.850 26.722 1.00 8.24 H new ATOM 0 HB ILE A 69 33.856 6.774 24.281 1.00 9.52 H new ATOM 0 HG12 ILE A 69 33.970 8.297 26.660 1.00 10.61 H new ATOM 0 HG13 ILE A 69 35.230 7.637 26.020 1.00 10.61 H new ATOM 0 HG21 ILE A 69 32.076 8.350 24.517 1.00 10.19 H new ATOM 0 HG22 ILE A 69 31.502 6.874 24.547 1.00 10.19 H new ATOM 0 HG23 ILE A 69 31.685 7.679 25.898 1.00 10.19 H new ATOM 0 HD11 ILE A 69 35.139 9.903 25.403 1.00 13.38 H new ATOM 0 HD12 ILE A 69 34.991 9.008 24.104 1.00 13.38 H new ATOM 0 HD13 ILE A 69 33.712 9.679 24.754 1.00 13.38 H new ATOM 192 N GLN A 70 31.881 3.815 25.609 1.00 8.18 N ATOM 193 CA GLN A 70 31.205 2.784 24.829 1.00 8.77 C ATOM 194 C GLN A 70 30.250 3.501 23.899 1.00 8.21 C ATOM 195 O GLN A 70 29.263 4.098 24.341 1.00 9.43 O ATOM 196 CB GLN A 70 30.502 1.833 25.763 1.00 12.10 C ATOM 197 CG GLN A 70 29.725 0.726 25.116 1.00 16.01 C ATOM 198 CD GLN A 70 29.240 -0.327 26.128 1.00 20.49 C ATOM 199 OE1 GLN A 70 29.926 -0.661 27.112 1.00 24.45 O ATOM 200 NE2 GLN A 70 28.051 -0.839 25.886 1.00 25.12 N ATOM 0 H GLN A 70 31.624 3.877 26.427 1.00 8.18 H new ATOM 0 HA GLN A 70 31.821 2.250 24.304 1.00 8.77 H new ATOM 0 HB2 GLN A 70 31.164 1.438 26.351 1.00 12.10 H new ATOM 0 HB3 GLN A 70 29.896 2.345 26.321 1.00 12.10 H new ATOM 0 HG2 GLN A 70 28.960 1.101 24.653 1.00 16.01 H new ATOM 0 HG3 GLN A 70 30.279 0.295 24.446 1.00 16.01 H new ATOM 0 HE21 GLN A 70 27.605 -0.584 25.196 1.00 25.12 H new ATOM 0 HE22 GLN A 70 27.720 -1.428 26.418 1.00 25.12 H new ATOM 201 N THR A 71 30.522 3.442 22.623 1.00 8.27 N ATOM 202 CA THR A 71 29.892 4.278 21.613 1.00 8.61 C ATOM 203 C THR A 71 29.086 3.499 20.605 1.00 7.90 C ATOM 204 O THR A 71 29.529 2.464 20.112 1.00 9.08 O ATOM 205 CB THR A 71 31.009 5.034 20.853 1.00 10.64 C ATOM 206 OG1 THR A 71 31.735 5.831 21.784 1.00 11.99 O ATOM 207 CG2 THR A 71 30.446 5.924 19.699 1.00 11.48 C ATOM 0 H THR A 71 31.100 2.895 22.297 1.00 8.27 H new ATOM 0 HA THR A 71 29.280 4.874 22.072 1.00 8.61 H new ATOM 0 HB THR A 71 31.593 4.380 20.439 1.00 10.64 H new ATOM 0 HG1 THR A 71 32.175 5.332 22.297 1.00 11.99 H new ATOM 0 HG21 THR A 71 31.178 6.377 19.253 1.00 11.48 H new ATOM 0 HG22 THR A 71 29.974 5.366 19.061 1.00 11.48 H new ATOM 0 HG23 THR A 71 29.835 6.582 20.066 1.00 11.48 H new ATOM 208 N THR A 72 27.907 3.983 20.292 1.00 7.66 N ATOM 209 CA THR A 72 27.028 3.441 19.238 1.00 7.60 C ATOM 210 C THR A 72 26.606 4.618 18.383 1.00 8.33 C ATOM 211 O THR A 72 25.996 5.579 18.874 1.00 8.75 O ATOM 212 CB THR A 72 25.784 2.745 19.837 1.00 9.79 C ATOM 213 OG1 THR A 72 26.186 1.778 20.832 1.00 11.64 O ATOM 214 CG2 THR A 72 24.973 2.065 18.728 1.00 10.75 C ATOM 0 H THR A 72 27.568 4.663 20.694 1.00 7.66 H new ATOM 0 HA THR A 72 27.499 2.770 18.719 1.00 7.60 H new ATOM 0 HB THR A 72 25.225 3.414 20.263 1.00 9.79 H new ATOM 0 HG1 THR A 72 26.989 1.564 20.707 1.00 11.64 H new ATOM 0 HG21 THR A 72 24.196 1.632 19.114 1.00 10.75 H new ATOM 0 HG22 THR A 72 24.685 2.730 18.083 1.00 10.75 H new ATOM 0 HG23 THR A 72 25.524 1.402 18.284 1.00 10.75 H new ATOM 215 N LEU A 73 27.020 4.612 17.117 1.00 6.91 N ATOM 216 CA LEU A 73 26.731 5.717 16.177 1.00 7.18 C ATOM 217 C LEU A 73 25.953 5.133 15.023 1.00 7.14 C ATOM 218 O LEU A 73 26.415 4.238 14.330 1.00 7.25 O ATOM 219 CB LEU A 73 28.032 6.353 15.727 1.00 7.87 C ATOM 220 CG LEU A 73 27.924 7.435 14.672 1.00 8.41 C ATOM 221 CD1 LEU A 73 26.919 8.565 15.075 1.00 8.28 C ATOM 222 CD2 LEU A 73 29.321 8.040 14.427 1.00 9.13 C ATOM 0 H LEU A 73 27.477 3.971 16.771 1.00 6.91 H new ATOM 0 HA LEU A 73 26.204 6.417 16.594 1.00 7.18 H new ATOM 0 HB2 LEU A 73 28.471 6.730 16.505 1.00 7.87 H new ATOM 0 HB3 LEU A 73 28.611 5.653 15.386 1.00 7.87 H new ATOM 0 HG LEU A 73 27.582 7.027 13.861 1.00 8.41 H new ATOM 0 HD11 LEU A 73 26.883 9.232 14.372 1.00 8.28 H new ATOM 0 HD12 LEU A 73 26.037 8.183 15.203 1.00 8.28 H new ATOM 0 HD13 LEU A 73 27.213 8.981 15.900 1.00 8.28 H new ATOM 0 HD21 LEU A 73 29.259 8.734 13.752 1.00 9.13 H new ATOM 0 HD22 LEU A 73 29.658 8.421 15.253 1.00 9.13 H new ATOM 0 HD23 LEU A 73 29.926 7.346 14.122 1.00 9.13 H new ATOM 223 N THR A 74 24.748 5.670 14.840 1.00 6.48 N ATOM 224 CA THR A 74 23.790 5.233 13.816 1.00 7.64 C ATOM 225 C THR A 74 23.686 6.338 12.772 1.00 6.75 C ATOM 226 O THR A 74 23.317 7.455 13.100 1.00 7.52 O ATOM 227 CB THR A 74 22.419 4.906 14.389 1.00 8.31 C ATOM 228 OG1 THR A 74 22.572 3.901 15.386 1.00 10.19 O ATOM 229 CG2 THR A 74 21.512 4.382 13.312 1.00 9.58 C ATOM 0 H THR A 74 24.454 6.319 15.322 1.00 6.48 H new ATOM 0 HA THR A 74 24.113 4.409 13.420 1.00 7.64 H new ATOM 0 HB THR A 74 22.031 5.711 14.766 1.00 8.31 H new ATOM 0 HG1 THR A 74 22.697 4.264 16.133 1.00 10.19 H new ATOM 0 HG21 THR A 74 20.643 4.178 13.691 1.00 9.58 H new ATOM 0 HG22 THR A 74 21.412 5.052 12.618 1.00 9.58 H new ATOM 0 HG23 THR A 74 21.895 3.577 12.930 1.00 9.58 H new ATOM 230 N LEU A 75 23.966 6.011 11.520 1.00 6.67 N ATOM 231 CA LEU A 75 23.887 6.933 10.391 1.00 6.58 C ATOM 232 C LEU A 75 22.726 6.547 9.496 1.00 8.08 C ATOM 233 O LEU A 75 22.538 5.372 9.170 1.00 7.30 O ATOM 234 CB LEU A 75 25.157 6.899 9.533 1.00 6.88 C ATOM 235 CG LEU A 75 26.490 7.102 10.248 1.00 8.52 C ATOM 236 CD1 LEU A 75 27.621 7.095 9.172 1.00 7.73 C ATOM 237 CD2 LEU A 75 26.537 8.410 11.077 1.00 8.04 C ATOM 0 H LEU A 75 24.216 5.220 11.293 1.00 6.67 H new ATOM 0 HA LEU A 75 23.773 7.823 10.760 1.00 6.58 H new ATOM 0 HB2 LEU A 75 25.188 6.044 9.077 1.00 6.88 H new ATOM 0 HB3 LEU A 75 25.076 7.582 8.849 1.00 6.88 H new ATOM 0 HG LEU A 75 26.611 6.380 10.884 1.00 8.52 H new ATOM 0 HD11 LEU A 75 28.480 7.223 9.604 1.00 7.73 H new ATOM 0 HD12 LEU A 75 27.618 6.245 8.705 1.00 7.73 H new ATOM 0 HD13 LEU A 75 27.469 7.813 8.538 1.00 7.73 H new ATOM 0 HD21 LEU A 75 27.402 8.489 11.508 1.00 8.04 H new ATOM 0 HD22 LEU A 75 26.398 9.170 10.491 1.00 8.04 H new ATOM 0 HD23 LEU A 75 25.840 8.391 11.752 1.00 8.04 H new ATOM 238 N GLN A 76 21.923 7.505 9.086 1.00 7.82 N ATOM 239 CA GLN A 76 20.882 7.291 8.077 1.00 8.32 C ATOM 240 C GLN A 76 21.258 7.872 6.729 1.00 7.78 C ATOM 241 O GLN A 76 22.008 8.848 6.645 1.00 7.81 O ATOM 242 CB GLN A 76 19.571 7.944 8.516 1.00 9.71 C ATOM 243 CG GLN A 76 19.121 7.599 9.867 1.00 11.26 C ATOM 244 CD GLN A 76 18.795 6.138 10.080 1.00 11.60 C ATOM 245 OE1 GLN A 76 18.463 5.382 9.128 1.00 14.14 O ATOM 246 NE2 GLN A 76 18.816 5.739 11.359 1.00 13.38 N ATOM 0 H GLN A 76 21.959 8.311 9.383 1.00 7.82 H new ATOM 0 HA GLN A 76 20.780 6.330 7.991 1.00 8.32 H new ATOM 0 HB2 GLN A 76 19.672 8.907 8.461 1.00 9.71 H new ATOM 0 HB3 GLN A 76 18.876 7.695 7.886 1.00 9.71 H new ATOM 0 HG2 GLN A 76 19.810 7.858 10.499 1.00 11.26 H new ATOM 0 HG3 GLN A 76 18.333 8.126 10.075 1.00 11.26 H new ATOM 0 HE21 GLN A 76 19.049 6.289 11.977 1.00 13.38 H new ATOM 0 HE22 GLN A 76 18.596 4.933 11.562 1.00 13.38 H new ATOM 247 N ALA A 77 20.633 7.354 5.667 1.00 7.64 N ATOM 248 CA ALA A 77 20.885 7.785 4.298 1.00 7.53 C ATOM 249 C ALA A 77 20.605 9.255 4.105 1.00 8.00 C ATOM 250 O ALA A 77 21.205 9.894 3.216 1.00 9.51 O ATOM 251 CB ALA A 77 20.024 6.949 3.306 1.00 8.09 C ATOM 0 H ALA A 77 20.042 6.732 5.728 1.00 7.64 H new ATOM 0 HA ALA A 77 21.827 7.639 4.118 1.00 7.53 H new ATOM 0 HB1 ALA A 77 20.199 7.243 2.398 1.00 8.09 H new ATOM 0 HB2 ALA A 77 20.252 6.010 3.391 1.00 8.09 H new ATOM 0 HB3 ALA A 77 19.084 7.072 3.510 1.00 8.09 H new ATOM 252 N ASP A 78 19.682 9.835 4.899 1.00 7.81 N ATOM 253 CA ASP A 78 19.358 11.265 4.786 1.00 8.28 C ATOM 254 C ASP A 78 20.294 12.203 5.554 1.00 9.37 C ATOM 255 O ASP A 78 20.016 13.388 5.716 1.00 9.19 O ATOM 256 CB ASP A 78 17.892 11.488 5.155 1.00 8.34 C ATOM 257 CG ASP A 78 17.620 11.262 6.608 1.00 9.20 C ATOM 258 OD1 ASP A 78 18.551 11.024 7.399 1.00 8.84 O ATOM 259 OD2 ASP A 78 16.411 11.324 6.974 1.00 11.01 O ATOM 0 H ASP A 78 19.237 9.416 5.504 1.00 7.81 H new ATOM 0 HA ASP A 78 19.503 11.507 3.858 1.00 8.28 H new ATOM 0 HB2 ASP A 78 17.638 12.394 4.920 1.00 8.34 H new ATOM 0 HB3 ASP A 78 17.336 10.892 4.629 1.00 8.34 H new ATOM 260 N ASN A 79 21.397 11.637 5.994 1.00 8.83 N ATOM 261 CA ASN A 79 22.468 12.358 6.675 1.00 8.55 C ATOM 262 C ASN A 79 22.069 12.813 8.062 1.00 9.15 C ATOM 263 O ASN A 79 22.556 13.817 8.571 1.00 12.68 O ATOM 264 CB ASN A 79 22.999 13.524 5.830 1.00 9.64 C ATOM 265 CG ASN A 79 23.724 13.079 4.617 1.00 10.60 C ATOM 266 OD1 ASN A 79 24.086 11.920 4.448 1.00 10.06 O ATOM 267 ND2 ASN A 79 24.004 14.038 3.740 1.00 14.18 N ATOM 0 H ASN A 79 21.556 10.796 5.906 1.00 8.83 H new ATOM 0 HA ASN A 79 23.195 11.726 6.787 1.00 8.55 H new ATOM 0 HB2 ASN A 79 22.257 14.090 5.567 1.00 9.64 H new ATOM 0 HB3 ASN A 79 23.591 14.067 6.373 1.00 9.64 H new ATOM 0 HD21 ASN A 79 24.451 13.853 3.029 1.00 14.18 H new ATOM 0 HD22 ASN A 79 23.738 14.843 3.883 1.00 14.18 H new ATOM 268 N SER A 80 21.185 12.082 8.695 1.00 8.06 N ATOM 269 CA SER A 80 20.850 12.278 10.097 1.00 8.29 C ATOM 270 C SER A 80 21.564 11.182 10.880 1.00 8.17 C ATOM 271 O SER A 80 21.917 10.111 10.350 1.00 7.77 O ATOM 272 CB SER A 80 19.356 12.294 10.340 1.00 9.60 C ATOM 273 OG SER A 80 18.772 11.088 10.086 1.00 12.44 O ATOM 0 H SER A 80 20.749 11.442 8.321 1.00 8.06 H new ATOM 0 HA SER A 80 21.149 13.151 10.397 1.00 8.29 H new ATOM 0 HB2 SER A 80 19.184 12.546 11.261 1.00 9.60 H new ATOM 0 HB3 SER A 80 18.948 12.972 9.780 1.00 9.60 H new ATOM 0 HG SER A 80 18.656 11.001 9.259 1.00 12.44 H new ATOM 274 N PHE A 81 21.817 11.464 12.147 1.00 8.34 N ATOM 275 CA PHE A 81 22.485 10.497 12.995 1.00 7.48 C ATOM 276 C PHE A 81 21.927 10.480 14.393 1.00 7.45 C ATOM 277 O PHE A 81 21.352 11.458 14.862 1.00 7.35 O ATOM 278 CB PHE A 81 23.998 10.716 13.113 1.00 7.33 C ATOM 279 CG PHE A 81 24.392 11.867 14.005 1.00 7.33 C ATOM 280 CD1 PHE A 81 24.357 13.188 13.529 1.00 7.59 C ATOM 281 CD2 PHE A 81 24.730 11.654 15.315 1.00 7.74 C ATOM 282 CE1 PHE A 81 24.646 14.204 14.332 1.00 8.11 C ATOM 283 CE2 PHE A 81 25.014 12.722 16.160 1.00 8.84 C ATOM 284 CZ PHE A 81 24.991 14.007 15.661 1.00 8.05 C ATOM 0 H PHE A 81 21.611 12.205 12.533 1.00 8.34 H new ATOM 0 HA PHE A 81 22.321 9.651 12.550 1.00 7.48 H new ATOM 0 HB2 PHE A 81 24.406 9.904 13.452 1.00 7.33 H new ATOM 0 HB3 PHE A 81 24.362 10.868 12.227 1.00 7.33 H new ATOM 0 HD1 PHE A 81 24.129 13.352 12.642 1.00 7.59 H new ATOM 0 HD2 PHE A 81 24.770 10.785 15.644 1.00 7.74 H new ATOM 0 HE1 PHE A 81 24.616 15.070 13.995 1.00 8.11 H new ATOM 0 HE2 PHE A 81 25.218 12.570 17.055 1.00 8.84 H new ATOM 0 HZ PHE A 81 25.203 14.730 16.206 1.00 8.05 H new ATOM 285 N GLU A 82 22.201 9.363 15.075 1.00 7.03 N ATOM 286 CA GLU A 82 21.964 9.226 16.524 1.00 8.79 C ATOM 287 C GLU A 82 23.195 8.633 17.164 1.00 8.50 C ATOM 288 O GLU A 82 23.718 7.645 16.650 1.00 9.07 O ATOM 289 CB GLU A 82 20.730 8.366 16.800 1.00 12.48 C ATOM 290 CG GLU A 82 19.402 8.923 16.347 1.00 17.89 C ATOM 291 CD GLU A 82 18.205 8.265 17.046 1.00 23.26 C ATOM 292 OE1 GLU A 82 18.372 7.185 17.684 1.00 26.50 O ATOM 293 OE2 GLU A 82 17.094 8.880 17.000 1.00 27.63 O ATOM 0 H GLU A 82 22.532 8.658 14.710 1.00 7.03 H new ATOM 0 HA GLU A 82 21.792 10.100 16.907 1.00 8.79 H new ATOM 0 HB2 GLU A 82 20.859 7.505 16.373 1.00 12.48 H new ATOM 0 HB3 GLU A 82 20.681 8.204 17.755 1.00 12.48 H new ATOM 0 HG2 GLU A 82 19.383 9.878 16.515 1.00 17.89 H new ATOM 0 HG3 GLU A 82 19.317 8.802 15.388 1.00 17.89 H new ATOM 294 N LEU A 83 23.671 9.228 18.254 1.00 9.15 N ATOM 295 CA LEU A 83 24.884 8.793 18.913 1.00 9.31 C ATOM 296 C LEU A 83 24.523 8.477 20.353 1.00 10.27 C ATOM 297 O LEU A 83 23.787 9.264 21.009 1.00 9.93 O ATOM 298 CB LEU A 83 25.926 9.898 18.870 1.00 11.58 C ATOM 299 CG LEU A 83 27.224 9.732 19.638 1.00 12.74 C ATOM 300 CD1 LEU A 83 28.093 8.603 19.064 1.00 13.73 C ATOM 301 CD2 LEU A 83 28.039 11.078 19.694 1.00 15.74 C ATOM 0 H LEU A 83 23.291 9.901 18.631 1.00 9.15 H new ATOM 0 HA LEU A 83 25.255 8.014 18.471 1.00 9.31 H new ATOM 0 HB2 LEU A 83 26.156 10.044 17.939 1.00 11.58 H new ATOM 0 HB3 LEU A 83 25.502 10.710 19.189 1.00 11.58 H new ATOM 0 HG LEU A 83 26.979 9.486 20.544 1.00 12.74 H new ATOM 0 HD11 LEU A 83 28.911 8.529 19.581 1.00 13.73 H new ATOM 0 HD12 LEU A 83 27.606 7.765 19.108 1.00 13.73 H new ATOM 0 HD13 LEU A 83 28.312 8.801 18.140 1.00 13.73 H new ATOM 0 HD21 LEU A 83 28.861 10.939 20.190 1.00 15.74 H new ATOM 0 HD22 LEU A 83 28.251 11.366 18.792 1.00 15.74 H new ATOM 0 HD23 LEU A 83 27.508 11.760 20.134 1.00 15.74 H new ATOM 302 N ALYS A 84 24.907 7.298 20.836 0.70 9.48 N ATOM 303 N BLYS A 84 24.981 7.337 20.865 0.30 9.86 N ATOM 304 CA ALYS A 84 24.864 7.001 22.255 0.70 9.71 C ATOM 305 CA BLYS A 84 24.826 7.027 22.282 0.30 9.84 C ATOM 306 C ALYS A 84 26.299 6.806 22.723 0.70 9.42 C ATOM 307 C BLYS A 84 26.181 6.651 22.836 0.30 9.58 C ATOM 308 O ALYS A 84 27.101 6.083 22.104 0.70 9.40 O ATOM 309 O BLYS A 84 26.776 5.655 22.391 0.30 8.04 O ATOM 310 CB ALYS A 84 24.017 5.776 22.544 0.70 9.98 C ATOM 311 CB BLYS A 84 23.837 5.901 22.520 0.30 10.15 C ATOM 312 CG ALYS A 84 24.030 5.400 24.025 0.70 12.11 C ATOM 313 CG BLYS A 84 23.568 5.695 24.011 0.30 11.42 C ATOM 314 CD ALYS A 84 23.225 4.117 24.213 0.70 14.58 C ATOM 315 CD BLYS A 84 22.548 4.587 24.237 0.30 12.27 C ATOM 316 CE ALYS A 84 22.857 3.857 25.632 0.70 15.94 C ATOM 317 CE BLYS A 84 23.091 3.260 23.709 0.30 13.03 C ATOM 318 NZ ALYS A 84 22.110 2.542 25.617 0.70 18.97 N ATOM 319 NZ BLYS A 84 22.085 2.196 23.952 0.30 14.46 N ATOM 0 H ALYS A 84 25.198 6.653 20.348 0.70 9.86 H new ATOM 0 H BLYS A 84 25.384 6.730 20.408 0.30 9.86 H new ATOM 0 HA ALYS A 84 24.449 7.734 22.737 0.70 9.84 H new ATOM 0 HA BLYS A 84 24.473 7.810 22.733 0.30 9.84 H new ATOM 0 HB2ALYS A 84 23.104 5.943 22.263 0.70 10.15 H new ATOM 0 HB2BLYS A 84 23.004 6.099 22.064 0.30 10.15 H new ATOM 0 HB3ALYS A 84 24.343 5.028 22.019 0.70 10.15 H new ATOM 0 HB3BLYS A 84 24.182 5.080 22.136 0.30 10.15 H new ATOM 0 HG2ALYS A 84 24.942 5.273 24.331 0.70 11.42 H new ATOM 0 HG2BLYS A 84 24.396 5.473 24.464 0.30 11.42 H new ATOM 0 HG3ALYS A 84 23.649 6.116 24.557 0.70 11.42 H new ATOM 0 HG3BLYS A 84 23.244 6.522 24.401 0.30 11.42 H new ATOM 0 HD2ALYS A 84 22.416 4.169 23.680 0.70 12.27 H new ATOM 0 HD2BLYS A 84 22.348 4.510 25.183 0.30 12.27 H new ATOM 0 HD3ALYS A 84 23.740 3.367 23.876 0.70 12.27 H new ATOM 0 HD3BLYS A 84 21.717 4.806 23.788 0.30 12.27 H new ATOM 0 HE2ALYS A 84 23.646 3.805 26.194 0.70 13.03 H new ATOM 0 HE2BLYS A 84 23.283 3.330 22.761 0.30 13.03 H new ATOM 0 HE3ALYS A 84 22.303 4.570 25.986 0.70 13.03 H new ATOM 0 HE3BLYS A 84 23.926 3.040 24.151 0.30 13.03 H new ATOM 0 HZ1ALYS A 84 21.862 2.332 26.445 0.70 14.46 H new ATOM 0 HZ1BLYS A 84 22.163 1.566 23.328 0.30 14.46 H new ATOM 0 HZ2ALYS A 84 21.388 2.616 25.101 0.70 14.46 H new ATOM 0 HZ2BLYS A 84 22.221 1.837 24.755 0.30 14.46 H new ATOM 0 HZ3ALYS A 84 22.640 1.903 25.295 0.70 14.46 H new ATOM 0 HZ3BLYS A 84 21.268 2.547 23.919 0.30 14.46 H new ATOM 320 N SER A 85 26.607 7.402 23.849 1.00 9.78 N ATOM 321 CA SER A 85 27.964 7.339 24.439 1.00 9.34 C ATOM 322 C SER A 85 27.824 7.029 25.912 1.00 10.57 C ATOM 323 O SER A 85 27.269 7.849 26.627 1.00 12.21 O ATOM 324 CB SER A 85 28.695 8.679 24.323 1.00 11.33 C ATOM 325 OG SER A 85 28.807 9.123 22.963 1.00 13.73 O ATOM 0 H ASER A 85 26.046 7.862 24.311 0.70 9.78 H new ATOM 0 H BSER A 85 26.104 7.985 24.231 0.30 9.78 H new ATOM 0 HA SER A 85 28.469 6.661 23.963 1.00 9.34 H new ATOM 0 HB2 SER A 85 28.222 9.349 24.842 1.00 11.33 H new ATOM 0 HB3 SER A 85 29.582 8.596 24.708 1.00 11.33 H new ATOM 0 HG SER A 85 29.480 8.768 22.607 1.00 13.73 H new ATOM 326 N ILE A 86 28.260 5.855 26.362 1.00 9.35 N ATOM 327 CA ILE A 86 28.301 5.545 27.785 1.00 10.04 C ATOM 328 C ILE A 86 29.711 5.766 28.268 1.00 9.47 C ATOM 329 O ILE A 86 30.679 5.097 27.834 1.00 9.21 O ATOM 330 CB ILE A 86 27.897 4.107 28.074 1.00 11.75 C ATOM 331 CG1 ILE A 86 26.524 3.837 27.411 1.00 14.10 C ATOM 332 CG2 ILE A 86 27.916 3.806 29.562 1.00 12.37 C ATOM 333 CD1 ILE A 86 26.015 2.434 27.682 1.00 17.95 C ATOM 0 H ILE A 86 28.539 5.220 25.853 1.00 9.35 H new ATOM 0 HA ILE A 86 27.669 6.121 28.243 1.00 10.04 H new ATOM 0 HB ILE A 86 28.545 3.497 27.688 1.00 11.75 H new ATOM 0 HG12 ILE A 86 25.877 4.482 27.739 1.00 14.10 H new ATOM 0 HG13 ILE A 86 26.598 3.972 26.453 1.00 14.10 H new ATOM 0 HG21 ILE A 86 27.654 2.884 29.709 1.00 12.37 H new ATOM 0 HG22 ILE A 86 28.811 3.947 29.909 1.00 12.37 H new ATOM 0 HG23 ILE A 86 27.295 4.395 30.019 1.00 12.37 H new ATOM 0 HD11 ILE A 86 25.156 2.312 27.249 1.00 17.95 H new ATOM 0 HD12 ILE A 86 26.648 1.787 27.333 1.00 17.95 H new ATOM 0 HD13 ILE A 86 25.916 2.305 28.638 1.00 17.95 H new ATOM 334 N TYR A 87 29.857 6.768 29.139 1.00 9.15 N ATOM 335 CA TYR A 87 31.130 7.072 29.753 1.00 9.05 C ATOM 336 C TYR A 87 31.315 6.109 30.915 1.00 9.58 C ATOM 337 O TYR A 87 30.661 6.205 31.956 1.00 11.32 O ATOM 338 CB TYR A 87 31.177 8.538 30.159 1.00 9.29 C ATOM 339 CG TYR A 87 31.288 9.452 28.979 1.00 10.66 C ATOM 340 CD1 TYR A 87 30.196 9.817 28.197 1.00 11.95 C ATOM 341 CD2 TYR A 87 32.514 9.949 28.598 1.00 12.17 C ATOM 342 CE1 TYR A 87 30.351 10.644 27.065 1.00 13.15 C ATOM 343 CE2 TYR A 87 32.660 10.763 27.502 1.00 13.41 C ATOM 344 CZ TYR A 87 31.590 11.111 26.737 1.00 14.40 C ATOM 345 OH TYR A 87 31.793 11.928 25.639 1.00 17.19 O ATOM 0 H TYR A 87 29.215 7.285 29.384 1.00 9.15 H new ATOM 0 HA TYR A 87 31.869 6.950 29.137 1.00 9.05 H new ATOM 0 HB2 TYR A 87 30.377 8.758 30.661 1.00 9.29 H new ATOM 0 HB3 TYR A 87 31.932 8.684 30.750 1.00 9.29 H new ATOM 0 HD1 TYR A 87 29.348 9.510 28.425 1.00 11.95 H new ATOM 0 HD2 TYR A 87 33.266 9.727 29.098 1.00 12.17 H new ATOM 0 HE1 TYR A 87 29.613 10.869 26.546 1.00 13.15 H new ATOM 0 HE2 TYR A 87 33.505 11.082 27.279 1.00 13.41 H new ATOM 0 HH TYR A 87 31.156 12.472 25.573 1.00 17.19 H new ATOM 346 N LEU A 88 32.232 5.185 30.735 1.00 9.70 N ATOM 347 CA LEU A 88 32.459 4.061 31.627 1.00 11.25 C ATOM 348 C LEU A 88 33.283 4.487 32.837 1.00 12.38 C ATOM 349 O LEU A 88 34.021 5.471 32.801 1.00 11.41 O ATOM 350 CB LEU A 88 33.232 2.959 30.898 1.00 11.20 C ATOM 351 CG LEU A 88 32.546 2.445 29.643 1.00 12.35 C ATOM 352 CD1 LEU A 88 33.524 1.526 28.895 1.00 13.05 C ATOM 353 CD2 LEU A 88 31.174 1.786 29.976 1.00 12.86 C ATOM 0 H LEU A 88 32.766 5.191 30.061 1.00 9.70 H new ATOM 0 HA LEU A 88 31.592 3.736 31.916 1.00 11.25 H new ATOM 0 HB2 LEU A 88 34.110 3.296 30.660 1.00 11.20 H new ATOM 0 HB3 LEU A 88 33.369 2.217 31.507 1.00 11.20 H new ATOM 0 HG LEU A 88 32.323 3.179 29.049 1.00 12.35 H new ATOM 0 HD11 LEU A 88 33.100 1.189 28.090 1.00 13.05 H new ATOM 0 HD12 LEU A 88 34.320 2.026 28.656 1.00 13.05 H new ATOM 0 HD13 LEU A 88 33.770 0.782 29.466 1.00 13.05 H new ATOM 0 HD21 LEU A 88 30.760 1.468 29.158 1.00 12.86 H new ATOM 0 HD22 LEU A 88 31.311 1.039 30.580 1.00 12.86 H new ATOM 0 HD23 LEU A 88 30.595 2.440 30.398 1.00 12.86 H new ATOM 354 N GLY A 89 33.165 3.704 33.895 1.00 14.05 N ATOM 355 CA GLY A 89 33.940 3.897 35.110 1.00 14.36 C ATOM 356 C GLY A 89 33.098 3.930 36.352 1.00 14.92 C ATOM 357 O GLY A 89 31.897 3.610 36.345 1.00 14.36 O ATOM 0 H GLY A 89 32.625 3.035 33.930 1.00 14.05 H new ATOM 0 HA2 GLY A 89 34.592 3.183 35.187 1.00 14.36 H new ATOM 0 HA3 GLY A 89 34.436 4.728 35.041 1.00 14.36 H new ATOM 358 N ALYS A 90 33.732 4.387 37.422 0.50 13.92 N ATOM 359 N BLYS A 90 33.690 4.352 37.460 0.50 14.48 N ATOM 360 CA ALYS A 90 33.118 4.419 38.735 0.50 15.36 C ATOM 361 CA BLYS A 90 32.934 4.369 38.708 0.50 16.08 C ATOM 362 C ALYS A 90 31.991 5.465 38.799 0.50 16.54 C ATOM 363 C BLYS A 90 31.771 5.321 38.584 0.50 16.93 C ATOM 364 O ALYS A 90 31.141 5.423 39.697 0.50 15.79 O ATOM 365 O BLYS A 90 30.668 5.058 39.103 0.50 16.57 O ATOM 366 CB ALYS A 90 34.218 4.670 39.793 0.50 14.91 C ATOM 367 CB BLYS A 90 33.809 4.799 39.883 0.50 16.32 C ATOM 368 CG ALYS A 90 35.291 3.523 39.948 0.50 14.83 C ATOM 369 CG BLYS A 90 33.118 4.682 41.266 0.50 16.84 C ATOM 370 CD ALYS A 90 36.627 3.969 40.669 0.50 14.32 C ATOM 371 CD BLYS A 90 34.027 5.056 42.419 0.50 17.72 C ATOM 0 H ALYS A 90 34.537 4.689 37.404 0.50 14.48 H new ATOM 0 H BLYS A 90 34.504 4.625 37.515 0.50 14.48 H new ATOM 0 HA ALYS A 90 32.699 3.565 38.923 0.50 16.08 H new ATOM 0 HA BLYS A 90 32.614 3.469 38.876 0.50 16.08 H new ATOM 0 HB2ALYS A 90 34.679 5.493 39.568 0.50 16.32 H new ATOM 0 HB2BLYS A 90 34.614 4.258 39.888 0.50 16.32 H new ATOM 0 HB3ALYS A 90 33.791 4.810 40.653 0.50 16.32 H new ATOM 0 HB3BLYS A 90 34.086 5.719 39.748 0.50 16.32 H new ATOM 0 HG2ALYS A 90 34.896 2.791 40.447 0.50 16.84 H new ATOM 0 HG2BLYS A 90 32.335 5.255 41.280 0.50 16.84 H new ATOM 0 HG3ALYS A 90 35.511 3.180 39.068 0.50 16.84 H new ATOM 0 HG3BLYS A 90 32.806 3.772 41.389 0.50 16.84 H new ATOM 372 N ASP A 91 32.003 6.418 37.860 1.00 17.56 N ATOM 373 CA ASP A 91 31.000 7.479 37.771 1.00 18.07 C ATOM 374 C ASP A 91 30.297 7.486 36.395 1.00 18.30 C ATOM 375 O ASP A 91 30.449 8.431 35.631 1.00 21.14 O ATOM 376 CB ASP A 91 31.681 8.826 37.988 1.00 20.21 C ATOM 377 CG ASP A 91 30.696 9.973 38.009 1.00 22.67 C ATOM 378 OD1 ASP A 91 29.493 9.701 38.246 1.00 25.06 O ATOM 379 OD2 ASP A 91 31.121 11.142 37.822 1.00 23.96 O ATOM 0 H AASP A 91 32.606 6.464 37.248 0.50 17.56 H new ATOM 0 H BASP A 91 32.726 6.566 37.418 0.50 17.56 H new ATOM 0 HA ASP A 91 30.329 7.318 38.452 1.00 18.07 H new ATOM 0 HB2 ASP A 91 32.170 8.807 38.826 1.00 20.21 H new ATOM 0 HB3 ASP A 91 32.331 8.974 37.284 1.00 20.21 H new ATOM 380 N GLU A 92 29.503 6.472 36.119 1.00 15.86 N ATOM 381 CA GLU A 92 29.005 6.301 34.737 1.00 16.68 C ATOM 382 C GLU A 92 27.973 7.339 34.360 1.00 13.55 C ATOM 383 O GLU A 92 27.170 7.760 35.202 1.00 13.22 O ATOM 384 CB GLU A 92 28.447 4.890 34.580 1.00 19.67 C ATOM 385 CG GLU A 92 27.897 4.614 33.245 1.00 23.15 C ATOM 386 CD GLU A 92 27.424 3.207 33.086 1.00 26.02 C ATOM 387 OE1 GLU A 92 28.277 2.282 33.169 1.00 29.71 O ATOM 388 OE2 GLU A 92 26.214 3.051 32.808 1.00 29.28 O ATOM 0 H GLU A 92 29.238 5.881 36.685 1.00 15.86 H new ATOM 0 HA GLU A 92 29.749 6.429 34.128 1.00 16.68 H new ATOM 0 HB2 GLU A 92 29.151 4.250 34.769 1.00 19.67 H new ATOM 0 HB3 GLU A 92 27.752 4.751 35.242 1.00 19.67 H new ATOM 0 HG2 GLU A 92 27.158 5.219 33.074 1.00 23.15 H new ATOM 0 HG3 GLU A 92 28.576 4.799 32.577 1.00 23.15 H new ATOM 389 N SER A 93 27.992 7.776 33.109 1.00 10.87 N ATOM 390 CA SER A 93 26.967 8.633 32.577 1.00 10.96 C ATOM 391 C SER A 93 26.669 8.213 31.172 1.00 9.66 C ATOM 392 O SER A 93 27.481 7.526 30.551 1.00 10.40 O ATOM 393 CB SER A 93 27.425 10.066 32.556 1.00 11.33 C ATOM 394 OG SER A 93 28.653 10.220 31.928 1.00 14.80 O ATOM 0 H SER A 93 28.610 7.577 32.545 1.00 10.87 H new ATOM 0 HA SER A 93 26.179 8.560 33.138 1.00 10.96 H new ATOM 0 HB2 SER A 93 26.762 10.608 32.101 1.00 11.33 H new ATOM 0 HB3 SER A 93 27.486 10.397 33.466 1.00 11.33 H new ATOM 0 HG SER A 93 29.269 10.130 32.491 1.00 14.80 H new ATOM 395 N ILE A 94 25.520 8.641 30.678 1.00 8.80 N ATOM 396 CA ILE A 94 25.077 8.288 29.350 1.00 9.16 C ATOM 397 C ILE A 94 24.662 9.511 28.577 1.00 10.12 C ATOM 398 O ILE A 94 23.823 10.306 29.030 1.00 9.24 O ATOM 399 CB ILE A 94 23.912 7.317 29.406 1.00 11.43 C ATOM 400 CG1 ILE A 94 24.334 6.039 30.188 1.00 15.08 C ATOM 401 CG2 ILE A 94 23.394 7.025 27.973 1.00 11.51 C ATOM 402 CD1 ILE A 94 23.261 4.908 30.229 1.00 18.70 C ATOM 0 H ILE A 94 24.974 9.147 31.109 1.00 8.80 H new ATOM 0 HA ILE A 94 25.825 7.864 28.900 1.00 9.16 H new ATOM 0 HB ILE A 94 23.167 7.707 29.890 1.00 11.43 H new ATOM 0 HG12 ILE A 94 25.144 5.684 29.788 1.00 15.08 H new ATOM 0 HG13 ILE A 94 24.554 6.291 31.099 1.00 15.08 H new ATOM 0 HG21 ILE A 94 22.650 6.404 28.018 1.00 11.51 H new ATOM 0 HG22 ILE A 94 23.100 7.852 27.560 1.00 11.51 H new ATOM 0 HG23 ILE A 94 24.108 6.636 27.444 1.00 11.51 H new ATOM 0 HD11 ILE A 94 23.605 4.154 30.733 1.00 18.70 H new ATOM 0 HD12 ILE A 94 22.456 5.241 30.655 1.00 18.70 H new ATOM 0 HD13 ILE A 94 23.054 4.625 29.325 1.00 18.70 H new ATOM 403 N PHE A 95 25.251 9.693 27.395 1.00 10.68 N ATOM 404 CA PHE A 95 24.905 10.787 26.495 1.00 13.74 C ATOM 405 C PHE A 95 24.195 10.249 25.299 1.00 14.83 C ATOM 406 O PHE A 95 24.583 9.184 24.755 1.00 14.78 O ATOM 407 CB PHE A 95 26.150 11.438 25.917 1.00 16.54 C ATOM 408 CG PHE A 95 26.812 12.394 26.770 1.00 20.60 C ATOM 409 CD1 PHE A 95 27.319 12.021 28.002 1.00 21.04 C ATOM 410 CD2 PHE A 95 27.008 13.706 26.325 1.00 22.64 C ATOM 411 CE1 PHE A 95 27.966 12.926 28.815 1.00 22.87 C ATOM 412 CE2 PHE A 95 27.677 14.625 27.144 1.00 23.87 C ATOM 413 CZ PHE A 95 28.158 14.230 28.383 1.00 22.92 C ATOM 0 H PHE A 95 25.869 9.178 27.092 1.00 10.68 H new ATOM 0 HA PHE A 95 24.373 11.412 27.013 1.00 13.74 H new ATOM 0 HB2 PHE A 95 26.784 10.740 25.690 1.00 16.54 H new ATOM 0 HB3 PHE A 95 25.908 11.882 25.089 1.00 16.54 H new ATOM 0 HD1 PHE A 95 27.221 11.141 28.287 1.00 21.04 H new ATOM 0 HD2 PHE A 95 26.695 13.967 25.489 1.00 22.64 H new ATOM 0 HE1 PHE A 95 28.274 12.663 29.652 1.00 22.87 H new ATOM 0 HE2 PHE A 95 27.799 15.501 26.856 1.00 23.87 H new ATOM 0 HZ PHE A 95 28.609 14.838 28.923 1.00 22.92 H new ATOM 414 N LYS A 96 23.180 10.938 24.836 1.00 14.79 N ATOM 415 CA LYS A 96 22.498 10.576 23.612 1.00 16.21 C ATOM 416 C LYS A 96 22.345 11.833 22.793 1.00 16.85 C ATOM 417 O LYS A 96 21.765 12.776 23.311 1.00 16.85 O ATOM 418 CB LYS A 96 21.153 9.992 23.888 1.00 18.01 C ATOM 419 CG LYS A 96 21.177 8.741 24.651 1.00 21.11 C ATOM 420 CD LYS A 96 19.829 8.203 24.781 1.00 24.11 C ATOM 421 CE LYS A 96 19.727 7.162 25.886 1.00 26.71 C ATOM 422 NZ LYS A 96 18.406 6.451 25.856 1.00 28.53 N ATOM 0 H LYS A 96 22.861 11.636 25.224 1.00 14.79 H new ATOM 0 HA LYS A 96 23.014 9.904 23.139 1.00 16.21 H new ATOM 0 HB2 LYS A 96 20.624 10.644 24.374 1.00 18.01 H new ATOM 0 HB3 LYS A 96 20.702 9.834 23.044 1.00 18.01 H new ATOM 0 HG2 LYS A 96 21.749 8.095 24.207 1.00 21.11 H new ATOM 0 HG3 LYS A 96 21.556 8.898 25.530 1.00 21.11 H new ATOM 0 HD2 LYS A 96 19.210 8.927 24.964 1.00 24.11 H new ATOM 0 HD3 LYS A 96 19.559 7.805 23.939 1.00 24.11 H new ATOM 0 HE2 LYS A 96 20.445 6.517 25.791 1.00 26.71 H new ATOM 0 HE3 LYS A 96 19.844 7.591 26.748 1.00 26.71 H new ATOM 0 HZ1 LYS A 96 18.377 5.850 26.512 1.00 28.53 H new ATOM 0 HZ2 LYS A 96 17.749 7.041 25.965 1.00 28.53 H new ATOM 0 HZ3 LYS A 96 18.308 6.039 25.073 1.00 28.53 H new ATOM 423 N VAL A 97 22.825 11.838 21.531 1.00 13.63 N ATOM 424 CA VAL A 97 22.873 13.020 20.676 1.00 12.45 C ATOM 425 C VAL A 97 22.161 12.681 19.378 1.00 11.64 C ATOM 426 O VAL A 97 22.397 11.598 18.819 1.00 12.33 O ATOM 427 CB VAL A 97 24.296 13.443 20.346 1.00 13.02 C ATOM 428 CG1 VAL A 97 24.338 14.753 19.530 1.00 13.75 C ATOM 429 CG2 VAL A 97 25.126 13.564 21.660 1.00 14.55 C ATOM 0 H VAL A 97 23.136 11.132 21.151 1.00 13.63 H new ATOM 0 HA VAL A 97 22.451 13.754 21.149 1.00 12.45 H new ATOM 0 HB VAL A 97 24.693 12.759 19.785 1.00 13.02 H new ATOM 0 HG11 VAL A 97 25.260 14.987 19.341 1.00 13.75 H new ATOM 0 HG12 VAL A 97 23.858 14.630 18.696 1.00 13.75 H new ATOM 0 HG13 VAL A 97 23.922 15.466 20.040 1.00 13.75 H new ATOM 0 HG21 VAL A 97 26.033 13.834 21.446 1.00 14.55 H new ATOM 0 HG22 VAL A 97 24.720 14.227 22.240 1.00 14.55 H new ATOM 0 HG23 VAL A 97 25.142 12.706 22.113 1.00 14.55 H new ATOM 430 N ALA A 98 21.317 13.561 18.889 1.00 9.08 N ATOM 431 CA ALA A 98 20.682 13.375 17.606 1.00 8.95 C ATOM 432 C ALA A 98 20.910 14.647 16.827 1.00 7.58 C ATOM 433 O ALA A 98 20.764 15.772 17.332 1.00 8.17 O ATOM 434 CB ALA A 98 19.212 13.127 17.762 1.00 10.56 C ATOM 0 H ALA A 98 21.094 14.287 19.293 1.00 9.08 H new ATOM 0 HA ALA A 98 21.055 12.604 17.150 1.00 8.95 H new ATOM 0 HB1 ALA A 98 18.810 13.006 16.888 1.00 10.56 H new ATOM 0 HB2 ALA A 98 19.073 12.329 18.295 1.00 10.56 H new ATOM 0 HB3 ALA A 98 18.801 13.886 18.204 1.00 10.56 H new ATOM 435 N GLY A 99 21.177 14.493 15.547 1.00 7.12 N ATOM 436 CA GLY A 99 21.418 15.638 14.694 1.00 7.99 C ATOM 437 C GLY A 99 21.647 15.265 13.263 1.00 8.64 C ATOM 438 O GLY A 99 21.262 14.186 12.837 1.00 8.88 O ATOM 0 H GLY A 99 21.224 13.732 15.150 1.00 7.12 H new ATOM 0 HA2 GLY A 99 20.660 16.240 14.748 1.00 7.99 H new ATOM 0 HA3 GLY A 99 22.190 16.124 15.024 1.00 7.99 H new ATOM 439 N LYS A 100 22.235 16.185 12.521 1.00 8.78 N ATOM 440 CA LYS A 100 22.572 15.948 11.124 1.00 8.90 C ATOM 441 C LYS A 100 24.071 15.977 10.991 1.00 7.72 C ATOM 442 O LYS A 100 24.797 16.563 11.797 1.00 9.37 O ATOM 443 CB LYS A 100 21.954 17.023 10.211 1.00 11.98 C ATOM 444 CG LYS A 100 20.450 16.934 10.094 1.00 15.17 C ATOM 0 H LYS A 100 22.452 16.966 12.809 1.00 8.78 H new ATOM 0 HA LYS A 100 22.217 15.087 10.852 1.00 8.90 H new ATOM 0 HB2 LYS A 100 22.192 17.900 10.551 1.00 11.98 H new ATOM 0 HB3 LYS A 100 22.344 16.947 9.326 1.00 11.98 H new ATOM 445 N PHE A 101 24.554 15.372 9.934 1.00 8.59 N ATOM 446 CA PHE A 101 25.966 15.414 9.627 1.00 8.19 C ATOM 447 C PHE A 101 26.158 15.817 8.169 1.00 8.55 C ATOM 448 O PHE A 101 25.249 15.762 7.357 1.00 8.39 O ATOM 449 CB PHE A 101 26.679 14.086 9.978 1.00 8.50 C ATOM 450 CG PHE A 101 26.246 12.883 9.154 1.00 8.47 C ATOM 451 CD1 PHE A 101 26.878 12.556 7.962 1.00 9.19 C ATOM 452 CD2 PHE A 101 25.214 12.038 9.574 1.00 9.06 C ATOM 453 CE1 PHE A 101 26.502 11.416 7.265 1.00 9.83 C ATOM 454 CE2 PHE A 101 24.880 10.938 8.847 1.00 9.17 C ATOM 455 CZ PHE A 101 25.494 10.639 7.719 1.00 9.25 C ATOM 0 H PHE A 101 24.079 14.926 9.373 1.00 8.59 H new ATOM 0 HA PHE A 101 26.387 16.086 10.185 1.00 8.19 H new ATOM 0 HB2 PHE A 101 27.635 14.209 9.867 1.00 8.50 H new ATOM 0 HB3 PHE A 101 26.525 13.891 10.916 1.00 8.50 H new ATOM 0 HD1 PHE A 101 27.554 13.101 7.630 1.00 9.19 H new ATOM 0 HD2 PHE A 101 24.752 12.230 10.358 1.00 9.06 H new ATOM 0 HE1 PHE A 101 26.946 11.186 6.481 1.00 9.83 H new ATOM 0 HE2 PHE A 101 24.201 10.382 9.154 1.00 9.17 H new ATOM 0 HZ PHE A 101 25.232 9.890 7.234 1.00 9.25 H new ATOM 456 N AASP A 102 27.387 16.200 7.847 0.50 9.56 N ATOM 457 N BASP A 102 27.369 16.294 7.875 0.50 9.46 N ATOM 458 CA AASP A 102 27.726 16.622 6.507 0.50 10.48 C ATOM 459 CA BASP A 102 27.780 16.743 6.545 0.50 10.21 C ATOM 460 C AASP A 102 28.987 15.936 6.046 0.50 9.58 C ATOM 461 C BASP A 102 28.977 15.932 6.050 0.50 9.43 C ATOM 462 O AASP A 102 29.870 15.611 6.830 0.50 10.19 O ATOM 463 O BASP A 102 29.809 15.492 6.826 0.50 9.85 O ATOM 464 CB AASP A 102 27.865 18.138 6.432 0.50 11.31 C ATOM 465 CB BASP A 102 28.138 18.244 6.543 0.50 11.36 C ATOM 466 CG AASP A 102 26.681 18.855 7.094 0.50 12.53 C ATOM 467 CG BASP A 102 26.918 19.165 6.275 0.50 13.00 C ATOM 468 OD1AASP A 102 26.536 18.767 8.319 0.50 15.07 O ATOM 469 OD1BASP A 102 25.810 18.673 6.005 0.50 15.19 O ATOM 470 OD2AASP A 102 25.937 19.520 6.378 0.50 14.86 O ATOM 471 OD2BASP A 102 27.080 20.409 6.341 0.50 14.95 O ATOM 0 H AASP A 102 28.044 16.221 8.402 0.50 9.46 H new ATOM 0 H BASP A 102 27.992 16.367 8.463 0.50 9.46 H new ATOM 0 HA AASP A 102 27.005 16.364 5.912 0.50 10.21 H new ATOM 0 HA BASP A 102 27.029 16.605 5.947 0.50 10.21 H new ATOM 0 HB2AASP A 102 28.690 18.409 6.865 0.50 11.36 H new ATOM 0 HB2BASP A 102 28.530 18.478 7.399 0.50 11.36 H new ATOM 0 HB3AASP A 102 27.930 18.411 5.503 0.50 11.36 H new ATOM 0 HB3BASP A 102 28.814 18.408 5.867 0.50 11.36 H new ATOM 472 N TRP A 103 29.046 15.738 4.736 1.00 10.15 N ATOM 473 CA TRP A 103 30.182 15.125 4.091 1.00 9.27 C ATOM 474 C TRP A 103 31.112 16.162 3.512 1.00 10.95 C ATOM 475 O TRP A 103 30.669 17.239 3.064 1.00 13.02 O ATOM 476 CB TRP A 103 29.709 14.245 2.932 1.00 8.48 C ATOM 477 CG TRP A 103 28.866 13.100 3.329 1.00 8.19 C ATOM 478 CD1 TRP A 103 27.552 13.144 3.639 1.00 10.30 C ATOM 479 CD2 TRP A 103 29.270 11.746 3.380 1.00 8.11 C ATOM 480 NE1 TRP A 103 27.109 11.911 3.895 1.00 9.07 N ATOM 481 CE2 TRP A 103 28.132 11.021 3.789 1.00 8.44 C ATOM 482 CE3 TRP A 103 30.496 11.076 3.185 1.00 8.94 C ATOM 483 CZ2 TRP A 103 28.149 9.693 3.991 1.00 9.70 C ATOM 484 CZ3 TRP A 103 30.510 9.692 3.358 1.00 8.99 C ATOM 485 CH2 TRP A 103 29.322 9.028 3.768 1.00 8.42 C ATOM 0 H ATRP A 103 28.416 15.961 4.195 0.50 10.15 H new ATOM 0 H BTRP A 103 28.420 15.965 4.192 0.50 10.15 H new ATOM 0 HA TRP A 103 30.647 14.604 4.764 1.00 9.27 H new ATOM 0 HB2 TRP A 103 29.212 14.795 2.307 1.00 8.48 H new ATOM 0 HB3 TRP A 103 30.486 13.910 2.459 1.00 8.48 H new ATOM 0 HD1 TRP A 103 27.034 13.916 3.669 1.00 10.30 H new ATOM 0 HE1 TRP A 103 26.298 11.709 4.097 1.00 9.07 H new ATOM 0 HE3 TRP A 103 31.267 11.540 2.950 1.00 8.94 H new ATOM 0 HZ2 TRP A 103 27.387 9.241 4.274 1.00 9.70 H new ATOM 0 HZ3 TRP A 103 31.290 9.208 3.206 1.00 8.99 H new ATOM 0 HH2 TRP A 103 29.344 8.106 3.889 1.00 8.42 H new ATOM 486 N ASP A 104 32.397 15.844 3.495 1.00 10.49 N ATOM 487 CA ASP A 104 33.329 16.690 2.766 1.00 12.17 C ATOM 488 C ASP A 104 33.136 16.572 1.230 1.00 13.66 C ATOM 489 O ASP A 104 32.410 15.742 0.720 1.00 11.59 O ATOM 490 CB ASP A 104 34.766 16.454 3.212 1.00 13.40 C ATOM 491 CG ASP A 104 35.317 15.078 2.869 1.00 12.85 C ATOM 492 OD1 ASP A 104 34.589 14.220 2.425 1.00 11.40 O ATOM 493 OD2 ASP A 104 36.546 14.858 3.092 1.00 17.37 O ATOM 0 H ASP A 104 32.744 15.162 3.887 1.00 10.49 H new ATOM 0 HA ASP A 104 33.126 17.612 2.988 1.00 12.17 H new ATOM 0 HB2 ASP A 104 35.333 17.127 2.805 1.00 13.40 H new ATOM 0 HB3 ASP A 104 34.819 16.581 4.172 1.00 13.40 H new ATOM 494 N SER A 105 33.774 17.485 0.493 1.00 16.32 N ATOM 495 CA SER A 105 33.588 17.514 -0.950 1.00 18.61 C ATOM 496 C SER A 105 34.083 16.215 -1.601 1.00 18.10 C ATOM 497 O SER A 105 33.580 15.816 -2.647 1.00 20.61 O ATOM 498 CB SER A 105 34.285 18.735 -1.575 1.00 20.83 C ATOM 499 OG SER A 105 35.624 18.840 -1.113 1.00 22.80 O ATOM 0 H SER A 105 34.307 18.083 0.806 1.00 16.32 H new ATOM 0 HA SER A 105 32.636 17.591 -1.120 1.00 18.61 H new ATOM 0 HB2 SER A 105 34.277 18.658 -2.542 1.00 20.83 H new ATOM 0 HB3 SER A 105 33.796 19.542 -1.350 1.00 20.83 H new ATOM 0 HG SER A 105 35.628 19.157 -0.335 1.00 22.80 H new ATOM 500 N ASN A 106 35.041 15.545 -0.963 1.00 16.18 N ATOM 501 CA ASN A 106 35.546 14.272 -1.462 1.00 15.97 C ATOM 502 C ASN A 106 34.625 13.095 -1.160 1.00 12.69 C ATOM 503 O ASN A 106 34.876 11.991 -1.623 1.00 10.67 O ATOM 504 CB ASN A 106 36.904 13.992 -0.831 1.00 19.25 C ATOM 505 CG ASN A 106 38.007 14.820 -1.455 1.00 22.52 C ATOM 506 OD1 ASN A 106 37.853 15.322 -2.575 1.00 25.38 O ATOM 507 ND2 ASN A 106 39.122 14.941 -0.761 1.00 25.27 N ATOM 0 H ASN A 106 35.412 15.814 -0.235 1.00 16.18 H new ATOM 0 HA ASN A 106 35.606 14.355 -2.427 1.00 15.97 H new ATOM 0 HB2 ASN A 106 36.861 14.178 0.120 1.00 19.25 H new ATOM 0 HB3 ASN A 106 37.115 13.050 -0.927 1.00 19.25 H new ATOM 0 HD21 ASN A 106 39.784 15.385 -1.084 1.00 25.27 H new ATOM 0 HD22 ASN A 106 39.187 14.576 0.015 1.00 25.27 H new ATOM 508 N GLY A 107 33.541 13.304 -0.417 1.00 10.11 N ATOM 509 CA GLY A 107 32.606 12.200 -0.103 1.00 9.92 C ATOM 510 C GLY A 107 33.246 11.076 0.685 1.00 8.65 C ATOM 511 O GLY A 107 32.893 9.933 0.515 1.00 8.78 O ATOM 0 H GLY A 107 33.322 14.066 -0.084 1.00 10.11 H new ATOM 0 HA2 GLY A 107 31.856 12.553 0.401 1.00 9.92 H new ATOM 0 HA3 GLY A 107 32.248 11.843 -0.931 1.00 9.92 H new ATOM 512 N SER A 108 34.128 11.439 1.616 1.00 9.87 N ATOM 513 CA SER A 108 34.893 10.506 2.370 1.00 10.51 C ATOM 514 C SER A 108 34.793 10.664 3.885 1.00 10.46 C ATOM 515 O SER A 108 34.868 9.667 4.627 1.00 10.70 O ATOM 516 CB SER A 108 36.357 10.746 1.948 1.00 13.55 C ATOM 517 OG SER A 108 37.202 9.958 2.679 1.00 15.39 O ATOM 0 H SER A 108 34.288 12.260 1.817 1.00 9.87 H new ATOM 0 HA SER A 108 34.556 9.615 2.186 1.00 10.51 H new ATOM 0 HB2 SER A 108 36.463 10.553 1.003 1.00 13.55 H new ATOM 0 HB3 SER A 108 36.587 11.680 2.074 1.00 13.55 H new ATOM 0 HG SER A 108 36.894 9.177 2.718 1.00 15.39 H new ATOM 518 N LYS A 109 34.669 11.897 4.335 1.00 9.00 N ATOM 519 CA LYS A 109 34.709 12.196 5.747 1.00 9.30 C ATOM 520 C LYS A 109 33.442 12.901 6.134 1.00 9.98 C ATOM 521 O LYS A 109 32.971 13.774 5.411 1.00 11.69 O ATOM 522 CB LYS A 109 35.908 13.051 6.075 1.00 9.33 C ATOM 523 CG LYS A 109 37.248 12.379 5.814 1.00 10.67 C ATOM 524 CD LYS A 109 38.440 13.318 5.991 1.00 11.40 C ATOM 525 CE LYS A 109 39.736 12.589 5.717 1.00 12.67 C ATOM 526 NZ LYS A 109 40.925 13.495 5.855 1.00 14.69 N ATOM 0 H LYS A 109 34.559 12.584 3.829 1.00 9.00 H new ATOM 0 HA LYS A 109 34.786 11.369 6.248 1.00 9.30 H new ATOM 0 HB2 LYS A 109 35.861 13.868 5.554 1.00 9.33 H new ATOM 0 HB3 LYS A 109 35.863 13.307 7.010 1.00 9.33 H new ATOM 0 HG2 LYS A 109 37.347 11.624 6.415 1.00 10.67 H new ATOM 0 HG3 LYS A 109 37.255 12.025 4.911 1.00 10.67 H new ATOM 0 HD2 LYS A 109 38.355 14.074 5.389 1.00 11.40 H new ATOM 0 HD3 LYS A 109 38.447 13.673 6.894 1.00 11.40 H new ATOM 0 HE2 LYS A 109 39.824 11.844 6.332 1.00 12.67 H new ATOM 0 HE3 LYS A 109 39.715 12.217 4.821 1.00 12.67 H new ATOM 0 HZ1 LYS A 109 41.667 13.044 5.659 1.00 14.69 H new ATOM 0 HZ2 LYS A 109 40.841 14.183 5.297 1.00 14.69 H new ATOM 0 HZ3 LYS A 109 40.973 13.796 6.691 1.00 14.69 H new ATOM 527 N ILE A 110 32.902 12.547 7.296 1.00 9.34 N ATOM 528 CA ILE A 110 31.707 13.182 7.822 1.00 9.21 C ATOM 529 C ILE A 110 32.019 13.984 9.090 1.00 9.40 C ATOM 530 O ILE A 110 32.904 13.627 9.872 1.00 9.62 O ATOM 531 CB ILE A 110 30.575 12.148 8.092 1.00 8.62 C ATOM 532 CG1 ILE A 110 30.982 11.089 9.089 1.00 9.15 C ATOM 533 CG2 ILE A 110 30.127 11.527 6.767 1.00 7.92 C ATOM 534 CD1 ILE A 110 29.818 10.198 9.535 1.00 9.65 C ATOM 0 H ILE A 110 33.222 11.929 7.801 1.00 9.34 H new ATOM 0 HA ILE A 110 31.388 13.797 7.143 1.00 9.21 H new ATOM 0 HB ILE A 110 29.828 12.618 8.494 1.00 8.62 H new ATOM 0 HG12 ILE A 110 31.674 10.534 8.697 1.00 9.15 H new ATOM 0 HG13 ILE A 110 31.369 11.518 9.868 1.00 9.15 H new ATOM 0 HG21 ILE A 110 29.422 10.882 6.934 1.00 7.92 H new ATOM 0 HG22 ILE A 110 29.796 12.223 6.179 1.00 7.92 H new ATOM 0 HG23 ILE A 110 30.879 11.081 6.348 1.00 7.92 H new ATOM 0 HD11 ILE A 110 30.139 9.541 10.172 1.00 9.65 H new ATOM 0 HD12 ILE A 110 29.134 10.744 9.952 1.00 9.65 H new ATOM 0 HD13 ILE A 110 29.443 9.744 8.764 1.00 9.65 H new ATOM 535 N THR A 111 31.292 15.080 9.252 1.00 9.16 N ATOM 536 CA THR A 111 31.378 15.907 10.455 1.00 9.72 C ATOM 537 C THR A 111 29.990 15.916 11.105 1.00 9.82 C ATOM 538 O THR A 111 29.020 16.339 10.469 1.00 10.19 O ATOM 539 CB THR A 111 31.776 17.334 10.104 1.00 11.03 C ATOM 540 OG1 THR A 111 33.059 17.346 9.414 1.00 10.76 O ATOM 541 CG2 THR A 111 31.896 18.212 11.377 1.00 10.65 C ATOM 0 H THR A 111 30.732 15.369 8.667 1.00 9.16 H new ATOM 0 HA THR A 111 32.049 15.547 11.056 1.00 9.72 H new ATOM 0 HB THR A 111 31.083 17.695 9.529 1.00 11.03 H new ATOM 0 HG1 THR A 111 32.959 17.060 8.631 1.00 10.76 H new ATOM 0 HG21 THR A 111 32.150 19.114 11.126 1.00 10.65 H new ATOM 0 HG22 THR A 111 31.042 18.233 11.837 1.00 10.65 H new ATOM 0 HG23 THR A 111 32.571 17.839 11.965 1.00 10.65 H new ATOM 542 N LEU A 112 29.918 15.419 12.316 1.00 9.83 N ATOM 543 CA LEU A 112 28.665 15.412 13.097 1.00 9.81 C ATOM 544 C LEU A 112 28.408 16.790 13.668 1.00 12.32 C ATOM 545 O LEU A 112 29.310 17.645 13.703 1.00 10.26 O ATOM 546 CB LEU A 112 28.724 14.414 14.226 1.00 9.89 C ATOM 547 CG LEU A 112 29.130 12.952 13.973 1.00 11.76 C ATOM 548 CD1 LEU A 112 28.954 12.055 15.212 1.00 12.64 C ATOM 549 CD2 LEU A 112 28.387 12.327 12.800 1.00 13.37 C ATOM 0 H LEU A 112 30.588 15.070 12.727 1.00 9.83 H new ATOM 0 HA LEU A 112 27.945 15.158 12.498 1.00 9.81 H new ATOM 0 HB2 LEU A 112 29.339 14.769 14.887 1.00 9.89 H new ATOM 0 HB3 LEU A 112 27.845 14.398 14.636 1.00 9.89 H new ATOM 0 HG LEU A 112 30.074 12.998 13.756 1.00 11.76 H new ATOM 0 HD11 LEU A 112 29.224 11.149 14.996 1.00 12.64 H new ATOM 0 HD12 LEU A 112 29.504 12.392 15.936 1.00 12.64 H new ATOM 0 HD13 LEU A 112 28.023 12.059 15.485 1.00 12.64 H new ATOM 0 HD21 LEU A 112 28.679 11.409 12.684 1.00 13.37 H new ATOM 0 HD22 LEU A 112 27.433 12.343 12.975 1.00 13.37 H new ATOM 0 HD23 LEU A 112 28.575 12.830 11.992 1.00 13.37 H new ATOM 550 N ASER A 113 27.172 17.058 14.041 0.50 13.26 N ATOM 551 N BSER A 113 27.201 16.960 14.220 0.50 12.86 N ATOM 552 CA ASER A 113 26.796 18.357 14.599 0.50 13.97 C ATOM 553 CA BSER A 113 26.712 18.206 14.847 0.50 13.71 C ATOM 554 C ASER A 113 27.564 18.722 15.885 0.50 14.74 C ATOM 555 C BSER A 113 27.625 18.706 15.861 0.50 14.34 C ATOM 556 O ASER A 113 27.589 19.915 16.232 0.50 14.43 O ATOM 557 O BSER A 113 27.771 19.927 16.037 0.50 14.10 O ATOM 558 CB ASER A 113 25.287 18.340 14.859 0.50 14.56 C ATOM 559 CB BSER A 113 25.425 17.928 15.642 0.50 13.20 C ATOM 560 OG ASER A 113 24.999 17.343 15.840 0.50 14.22 O ATOM 561 OG BSER A 113 24.350 17.657 14.775 0.50 11.27 O ATOM 0 H ASER A 113 26.522 16.498 13.981 0.50 12.86 H new ATOM 0 H BSER A 113 26.618 16.328 14.242 0.50 12.86 H new ATOM 0 HA ASER A 113 27.034 19.042 13.955 0.50 13.71 H new ATOM 0 HA BSER A 113 26.599 18.834 14.117 0.50 13.71 H new ATOM 0 HB2ASER A 113 24.990 19.210 15.168 0.50 13.20 H new ATOM 0 HB2BSER A 113 25.564 17.175 16.237 0.50 13.20 H new ATOM 0 HB3ASER A 113 24.807 18.151 14.038 0.50 13.20 H new ATOM 0 HB3BSER A 113 25.212 18.693 16.199 0.50 13.20 H new ATOM 0 HG ASER A 113 24.997 16.585 15.477 0.50 11.27 H new ATOM 0 HG BSER A 113 24.645 17.355 14.049 0.50 11.27 H new ATOM 562 N ASP A 114 28.159 17.757 16.613 1.00 14.54 N ATOM 563 CA ASP A 114 28.984 18.018 17.765 1.00 16.70 C ATOM 564 C ASP A 114 30.420 18.301 17.405 1.00 15.50 C ATOM 565 O ASP A 114 31.275 18.487 18.300 1.00 17.96 O ATOM 566 CB ASP A 114 28.935 16.868 18.831 1.00 18.64 C ATOM 567 CG ASP A 114 29.597 15.575 18.383 1.00 21.39 C ATOM 568 OD1 ASP A 114 29.988 15.461 17.209 1.00 17.95 O ATOM 569 OD2 ASP A 114 29.738 14.662 19.250 1.00 23.41 O ATOM 0 H AASP A 114 28.081 16.920 16.431 0.50 14.54 H new ATOM 0 H BASP A 114 28.045 16.919 16.458 0.50 14.54 H new ATOM 0 HA ASP A 114 28.600 18.817 18.160 1.00 16.70 H new ATOM 0 HB2 ASP A 114 29.366 17.175 19.644 1.00 18.64 H new ATOM 0 HB3 ASP A 114 28.009 16.685 19.053 1.00 18.64 H new ATOM 570 N GLY A 115 30.689 18.345 16.092 1.00 12.94 N ATOM 571 CA GLY A 115 32.021 18.638 15.607 1.00 12.34 C ATOM 572 C GLY A 115 32.947 17.436 15.424 1.00 11.56 C ATOM 573 O GLY A 115 34.041 17.564 14.873 1.00 13.14 O ATOM 0 H GLY A 115 30.106 18.206 15.475 1.00 12.94 H new ATOM 0 HA2 GLY A 115 31.942 19.096 14.755 1.00 12.34 H new ATOM 0 HA3 GLY A 115 32.442 19.257 16.224 1.00 12.34 H new ATOM 574 N ASER A 116 32.540 16.241 15.851 0.50 10.77 N ATOM 575 N BSER A 116 32.508 16.260 15.871 0.50 12.19 N ATOM 576 CA ASER A 116 33.380 15.077 15.640 0.50 9.71 C ATOM 577 CA BSER A 116 33.270 15.042 15.717 0.50 12.04 C ATOM 578 C ASER A 116 33.390 14.696 14.152 0.50 8.56 C ATOM 579 C BSER A 116 33.394 14.704 14.237 0.50 11.00 C ATOM 580 O ASER A 116 32.382 14.819 13.441 0.50 8.72 O ATOM 581 O BSER A 116 32.488 14.994 13.445 0.50 11.24 O ATOM 582 CB ASER A 116 32.938 13.882 16.483 0.50 10.57 C ATOM 583 CB BSER A 116 32.575 13.886 16.417 0.50 13.29 C ATOM 584 OG ASER A 116 31.580 13.520 16.262 0.50 11.48 O ATOM 585 OG BSER A 116 32.575 14.053 17.810 0.50 15.44 O ATOM 0 H ASER A 116 31.797 16.090 16.256 0.50 12.19 H new ATOM 0 H BSER A 116 31.755 16.155 16.273 0.50 12.19 H new ATOM 0 HA ASER A 116 34.277 15.314 15.923 0.50 12.04 H new ATOM 0 HA BSER A 116 34.147 15.178 16.110 0.50 12.04 H new ATOM 0 HB2ASER A 116 33.507 13.122 16.282 0.50 13.29 H new ATOM 0 HB2BSER A 116 31.661 13.816 16.098 0.50 13.29 H new ATOM 0 HB3ASER A 116 33.064 14.090 17.422 0.50 13.29 H new ATOM 0 HB3BSER A 116 33.020 13.054 16.190 0.50 13.29 H new ATOM 0 HG ASER A 116 31.077 14.130 16.545 0.50 15.44 H new ATOM 0 HG BSER A 116 31.892 13.689 18.136 0.50 15.44 H new ATOM 586 N ALYS A 117 34.553 14.248 13.695 0.50 7.46 N ATOM 587 N BLYS A 117 34.505 14.057 13.894 0.50 10.28 N ATOM 588 CA ALYS A 117 34.746 13.837 12.329 0.50 7.81 C ATOM 589 CA BLYS A 117 34.846 13.754 12.517 0.50 9.78 C ATOM 590 C ALYS A 117 35.126 12.371 12.262 0.50 7.97 C ATOM 591 C BLYS A 117 35.146 12.282 12.314 0.50 9.00 C ATOM 592 O ALYS A 117 35.827 11.852 13.097 0.50 8.47 O ATOM 593 O BLYS A 117 35.844 11.656 13.109 0.50 8.92 O ATOM 594 CB ALYS A 117 35.815 14.708 11.661 0.50 8.40 C ATOM 595 CB BLYS A 117 36.071 14.564 12.117 0.50 10.63 C ATOM 596 CG ALYS A 117 35.415 16.177 11.585 0.50 9.98 C ATOM 597 CG BLYS A 117 35.825 16.040 11.999 0.50 12.26 C ATOM 598 CD ALYS A 117 36.318 17.013 10.668 0.50 11.76 C ATOM 599 CD BLYS A 117 37.103 16.722 11.572 0.50 13.85 C ATOM 600 CE ALYS A 117 35.924 18.481 10.833 0.50 13.60 C ATOM 601 CE BLYS A 117 36.856 18.073 11.010 0.50 15.50 C ATOM 602 NZ ALYS A 117 36.592 19.048 12.023 0.50 15.22 N ATOM 603 NZ BLYS A 117 35.969 18.076 9.787 0.50 15.39 N ATOM 0 H ALYS A 117 35.257 14.176 14.183 0.50 10.28 H new ATOM 0 H BLYS A 117 35.086 13.780 14.465 0.50 10.28 H new ATOM 0 HA ALYS A 117 33.911 13.953 11.849 0.50 9.78 H new ATOM 0 HA BLYS A 117 34.081 13.983 11.966 0.50 9.78 H new ATOM 0 HB2ALYS A 117 36.646 14.628 12.154 0.50 10.63 H new ATOM 0 HB2BLYS A 117 36.772 14.415 12.771 0.50 10.63 H new ATOM 0 HB3ALYS A 117 35.984 14.376 10.765 0.50 10.63 H new ATOM 0 HB3BLYS A 117 36.401 14.233 11.267 0.50 10.63 H new ATOM 0 HG2ALYS A 117 34.500 16.239 11.269 0.50 12.26 H new ATOM 0 HG2BLYS A 117 35.122 16.211 11.353 0.50 12.26 H new ATOM 0 HG3ALYS A 117 35.434 16.556 12.478 0.50 12.26 H new ATOM 0 HG3BLYS A 117 35.523 16.398 12.848 0.50 12.26 H new ATOM 0 HD2ALYS A 117 37.251 16.884 10.900 0.50 13.85 H new ATOM 0 HD2BLYS A 117 37.699 16.794 12.334 0.50 13.85 H new ATOM 0 HD3ALYS A 117 36.214 16.735 9.744 0.50 13.85 H new ATOM 0 HD3BLYS A 117 37.554 16.175 10.910 0.50 13.85 H new ATOM 0 HE2ALYS A 117 36.174 18.983 10.041 0.50 15.50 H new ATOM 0 HE2BLYS A 117 36.450 18.629 11.694 0.50 15.50 H new ATOM 0 HE3ALYS A 117 34.961 18.558 10.925 0.50 15.50 H new ATOM 0 HE3BLYS A 117 37.707 18.479 10.782 0.50 15.50 H new ATOM 0 HZ1ALYS A 117 35.993 19.475 12.524 0.50 15.39 H new ATOM 0 HZ1BLYS A 117 35.988 18.881 9.408 0.50 15.39 H new ATOM 0 HZ2ALYS A 117 36.962 18.392 12.497 0.50 15.39 H new ATOM 0 HZ2BLYS A 117 36.261 17.468 9.207 0.50 15.39 H new ATOM 0 HZ3ALYS A 117 37.224 19.619 11.765 0.50 15.39 H new ATOM 0 HZ3BLYS A 117 35.134 17.881 10.025 0.50 15.39 H new ATOM 604 N TYR A 118 34.635 11.704 11.215 1.00 8.06 N ATOM 605 CA TYR A 118 34.928 10.317 10.951 1.00 8.26 C ATOM 606 C TYR A 118 35.237 10.063 9.492 1.00 7.96 C ATOM 607 O TYR A 118 34.632 10.658 8.599 1.00 9.14 O ATOM 608 CB TYR A 118 33.742 9.397 11.294 1.00 8.82 C ATOM 609 CG TYR A 118 33.419 9.284 12.760 1.00 10.31 C ATOM 610 CD1 TYR A 118 32.618 10.195 13.380 1.00 11.09 C ATOM 611 CD2 TYR A 118 33.897 8.202 13.491 1.00 10.10 C ATOM 612 CE1 TYR A 118 32.336 10.101 14.761 1.00 11.01 C ATOM 613 CE2 TYR A 118 33.612 8.059 14.824 1.00 12.06 C ATOM 614 CZ TYR A 118 32.841 8.998 15.437 1.00 10.46 C ATOM 615 OH TYR A 118 32.579 8.804 16.776 1.00 15.64 O ATOM 0 H ATYR A 118 34.113 12.062 10.633 0.50 8.06 H new ATOM 0 H BTYR A 118 34.134 12.095 10.636 0.50 8.06 H new ATOM 0 HA TYR A 118 35.697 10.121 11.509 1.00 8.26 H new ATOM 0 HB2 TYR A 118 32.955 9.721 10.829 1.00 8.82 H new ATOM 0 HB3 TYR A 118 33.930 8.510 10.950 1.00 8.82 H new ATOM 0 HD1 TYR A 118 32.250 10.891 12.885 1.00 11.09 H new ATOM 0 HD2 TYR A 118 34.421 7.562 13.066 1.00 10.10 H new ATOM 0 HE1 TYR A 118 31.834 10.750 15.199 1.00 11.01 H new ATOM 0 HE2 TYR A 118 33.940 7.332 15.302 1.00 12.06 H new ATOM 0 HH TYR A 118 32.952 8.097 17.035 1.00 15.64 H new ATOM 616 N LEU A 119 36.148 9.142 9.257 1.00 8.29 N ATOM 617 CA LEU A 119 36.455 8.646 7.913 1.00 8.23 C ATOM 618 C LEU A 119 35.540 7.450 7.714 1.00 8.92 C ATOM 619 O LEU A 119 35.573 6.485 8.476 1.00 9.32 O ATOM 620 CB LEU A 119 37.915 8.221 7.785 1.00 10.12 C ATOM 621 CG LEU A 119 38.341 7.599 6.468 1.00 11.05 C ATOM 622 CD1 LEU A 119 38.359 8.600 5.351 1.00 12.35 C ATOM 623 CD2 LEU A 119 39.753 7.039 6.696 1.00 12.29 C ATOM 0 H LEU A 119 36.618 8.776 9.877 1.00 8.29 H new ATOM 0 HA LEU A 119 36.317 9.337 7.246 1.00 8.23 H new ATOM 0 HB2 LEU A 119 38.470 9.000 7.943 1.00 10.12 H new ATOM 0 HB3 LEU A 119 38.107 7.587 8.493 1.00 10.12 H new ATOM 0 HG LEU A 119 37.711 6.909 6.205 1.00 11.05 H new ATOM 0 HD11 LEU A 119 38.635 8.164 4.530 1.00 12.35 H new ATOM 0 HD12 LEU A 119 37.471 8.972 5.236 1.00 12.35 H new ATOM 0 HD13 LEU A 119 38.982 9.312 5.564 1.00 12.35 H new ATOM 0 HD21 LEU A 119 40.074 6.627 5.878 1.00 12.29 H new ATOM 0 HD22 LEU A 119 40.350 7.760 6.951 1.00 12.29 H new ATOM 0 HD23 LEU A 119 39.728 6.376 7.403 1.00 12.29 H new ATOM 624 N VAL A 120 34.735 7.484 6.647 1.00 8.28 N ATOM 625 CA VAL A 120 33.764 6.405 6.412 1.00 8.82 C ATOM 626 C VAL A 120 34.461 5.347 5.568 1.00 8.79 C ATOM 627 O VAL A 120 34.937 5.647 4.465 1.00 10.52 O ATOM 628 CB VAL A 120 32.530 6.956 5.681 1.00 9.19 C ATOM 629 CG1 VAL A 120 31.465 5.855 5.452 1.00 9.98 C ATOM 630 CG2 VAL A 120 31.909 8.139 6.447 1.00 10.59 C ATOM 0 H VAL A 120 34.733 8.110 6.057 1.00 8.28 H new ATOM 0 HA VAL A 120 33.461 6.022 7.250 1.00 8.82 H new ATOM 0 HB VAL A 120 32.832 7.272 4.815 1.00 9.19 H new ATOM 0 HG11 VAL A 120 30.701 6.234 4.990 1.00 9.98 H new ATOM 0 HG12 VAL A 120 31.846 5.143 4.915 1.00 9.98 H new ATOM 0 HG13 VAL A 120 31.180 5.497 6.307 1.00 9.98 H new ATOM 0 HG21 VAL A 120 31.134 8.466 5.964 1.00 10.59 H new ATOM 0 HG22 VAL A 120 31.639 7.846 7.331 1.00 10.59 H new ATOM 0 HG23 VAL A 120 32.563 8.851 6.529 1.00 10.59 H new ATOM 631 N GLY A 121 34.518 4.120 6.070 1.00 7.96 N ATOM 632 CA GLY A 121 35.234 3.082 5.417 1.00 9.21 C ATOM 633 C GLY A 121 34.407 1.814 5.274 1.00 7.69 C ATOM 634 O GLY A 121 33.244 1.756 5.628 1.00 7.80 O ATOM 0 H GLY A 121 34.135 3.882 6.803 1.00 7.96 H new ATOM 0 HA2 GLY A 121 35.511 3.386 4.539 1.00 9.21 H new ATOM 0 HA3 GLY A 121 36.042 2.885 5.917 1.00 9.21 H new ATOM 635 N GLU A 122 35.028 0.761 4.767 1.00 8.75 N ATOM 636 CA GLU A 122 34.337 -0.524 4.610 1.00 9.03 C ATOM 637 C GLU A 122 34.016 -1.141 5.973 1.00 7.94 C ATOM 638 O GLU A 122 34.932 -1.538 6.748 1.00 8.84 O ATOM 639 CB GLU A 122 35.168 -1.497 3.755 1.00 11.26 C ATOM 640 CG GLU A 122 35.265 -0.970 2.329 1.00 14.04 C ATOM 641 CD GLU A 122 35.704 -1.965 1.295 1.00 19.04 C ATOM 642 OE1 GLU A 122 35.375 -3.174 1.461 1.00 22.11 O ATOM 643 OE2 GLU A 122 36.235 -1.481 0.250 1.00 21.63 O ATOM 0 H GLU A 122 35.847 0.762 4.506 1.00 8.75 H new ATOM 0 HA GLU A 122 33.500 -0.357 4.148 1.00 9.03 H new ATOM 0 HB2 GLU A 122 36.055 -1.597 4.133 1.00 11.26 H new ATOM 0 HB3 GLU A 122 34.757 -2.376 3.758 1.00 11.26 H new ATOM 0 HG2 GLU A 122 34.397 -0.622 2.071 1.00 14.04 H new ATOM 0 HG3 GLU A 122 35.884 -0.224 2.319 1.00 14.04 H new ATOM 644 N ASN A 123 32.715 -1.256 6.246 1.00 7.21 N ATOM 645 CA ASN A 123 32.202 -1.801 7.499 1.00 7.07 C ATOM 646 C ASN A 123 32.714 -1.089 8.756 1.00 7.58 C ATOM 647 O ASN A 123 32.774 -1.703 9.817 1.00 9.22 O ATOM 648 CB ASN A 123 32.502 -3.279 7.592 1.00 7.55 C ATOM 649 CG ASN A 123 31.790 -4.061 6.499 1.00 7.42 C ATOM 650 OD1 ASN A 123 30.649 -3.741 6.146 1.00 8.68 O ATOM 651 ND2 ASN A 123 32.468 -5.105 5.980 1.00 8.55 N ATOM 0 H ASN A 123 32.098 -1.015 5.698 1.00 7.21 H new ATOM 0 HA ASN A 123 31.244 -1.649 7.474 1.00 7.07 H new ATOM 0 HB2 ASN A 123 33.459 -3.421 7.522 1.00 7.55 H new ATOM 0 HB3 ASN A 123 32.228 -3.612 8.461 1.00 7.55 H new ATOM 0 HD21 ASN A 123 32.108 -5.590 5.368 1.00 8.55 H new ATOM 0 HD22 ASN A 123 33.261 -5.285 6.261 1.00 8.55 H new ATOM 652 N GLN A 124 33.113 0.165 8.634 1.00 8.51 N ATOM 653 CA GLN A 124 33.605 0.904 9.808 1.00 7.76 C ATOM 654 C GLN A 124 33.606 2.392 9.606 1.00 8.62 C ATOM 655 O GLN A 124 33.528 2.915 8.468 1.00 9.20 O ATOM 656 CB GLN A 124 35.042 0.449 10.095 1.00 10.02 C ATOM 657 CG GLN A 124 36.058 0.884 9.053 1.00 11.11 C ATOM 658 CD GLN A 124 37.494 0.660 9.477 1.00 15.64 C ATOM 659 OE1 GLN A 124 37.855 -0.436 9.864 1.00 16.24 O ATOM 660 NE2 GLN A 124 38.285 1.715 9.483 1.00 15.25 N ATOM 0 H GLN A 124 33.112 0.609 7.898 1.00 8.51 H new ATOM 0 HA GLN A 124 33.007 0.713 10.547 1.00 7.76 H new ATOM 0 HB2 GLN A 124 35.313 0.796 10.959 1.00 10.02 H new ATOM 0 HB3 GLN A 124 35.056 -0.519 10.160 1.00 10.02 H new ATOM 0 HG2 GLN A 124 35.893 0.400 8.229 1.00 11.11 H new ATOM 0 HG3 GLN A 124 35.929 1.826 8.859 1.00 11.11 H new ATOM 0 HE21 GLN A 124 37.993 2.473 9.201 1.00 15.25 H new ATOM 0 HE22 GLN A 124 39.093 1.645 9.769 1.00 15.25 H new ATOM 661 N LEU A 125 33.645 3.060 10.747 1.00 8.79 N ATOM 662 CA LEU A 125 33.956 4.492 10.816 1.00 8.83 C ATOM 663 C LEU A 125 35.231 4.656 11.631 1.00 11.02 C ATOM 664 O LEU A 125 35.461 3.908 12.601 1.00 12.14 O ATOM 665 CB LEU A 125 32.843 5.278 11.476 1.00 8.85 C ATOM 666 CG LEU A 125 31.445 5.183 10.920 1.00 8.94 C ATOM 667 CD1 LEU A 125 30.461 5.960 11.809 1.00 9.74 C ATOM 668 CD2 LEU A 125 31.429 5.667 9.474 1.00 9.20 C ATOM 0 H LEU A 125 33.492 2.699 11.512 1.00 8.79 H new ATOM 0 HA LEU A 125 34.063 4.833 9.914 1.00 8.83 H new ATOM 0 HB2 LEU A 125 32.806 5.007 12.406 1.00 8.85 H new ATOM 0 HB3 LEU A 125 33.099 6.213 11.463 1.00 8.85 H new ATOM 0 HG LEU A 125 31.156 4.257 10.921 1.00 8.94 H new ATOM 0 HD11 LEU A 125 29.567 5.890 11.440 1.00 9.74 H new ATOM 0 HD12 LEU A 125 30.471 5.588 12.705 1.00 9.74 H new ATOM 0 HD13 LEU A 125 30.724 6.893 11.844 1.00 9.74 H new ATOM 0 HD21 LEU A 125 30.528 5.604 9.121 1.00 9.20 H new ATOM 0 HD22 LEU A 125 31.726 6.590 9.438 1.00 9.20 H new ATOM 0 HD23 LEU A 125 32.023 5.116 8.941 1.00 9.20 H new ATOM 669 N LEU A 126 36.097 5.547 11.220 1.00 10.06 N ATOM 670 CA LEU A 126 37.318 5.817 11.974 1.00 10.30 C ATOM 671 C LEU A 126 37.263 7.234 12.450 1.00 9.40 C ATOM 672 O LEU A 126 37.233 8.154 11.658 1.00 9.96 O ATOM 673 CB LEU A 126 38.548 5.588 11.086 1.00 10.91 C ATOM 674 CG LEU A 126 39.937 5.908 11.666 1.00 12.23 C ATOM 675 CD1 LEU A 126 40.244 4.913 12.774 1.00 14.71 C ATOM 676 CD2 LEU A 126 40.973 5.828 10.597 1.00 14.08 C ATOM 0 H LEU A 126 36.006 6.015 10.504 1.00 10.06 H new ATOM 0 HA LEU A 126 37.388 5.218 12.733 1.00 10.30 H new ATOM 0 HB2 LEU A 126 38.548 4.657 10.815 1.00 10.91 H new ATOM 0 HB3 LEU A 126 38.434 6.117 10.281 1.00 10.91 H new ATOM 0 HG LEU A 126 39.943 6.809 12.025 1.00 12.23 H new ATOM 0 HD11 LEU A 126 41.118 5.105 13.148 1.00 14.71 H new ATOM 0 HD12 LEU A 126 39.572 4.986 13.470 1.00 14.71 H new ATOM 0 HD13 LEU A 126 40.238 4.013 12.412 1.00 14.71 H new ATOM 0 HD21 LEU A 126 41.843 6.031 10.974 1.00 14.08 H new ATOM 0 HD22 LEU A 126 40.984 4.933 10.223 1.00 14.08 H new ATOM 0 HD23 LEU A 126 40.767 6.468 9.898 1.00 14.08 H new HETATM 677 N AMSE A 127 37.288 7.452 13.775 0.90 9.77 N HETATM 678 N BMSE A 127 37.326 7.419 13.765 0.10 9.92 N HETATM 679 CA AMSE A 127 37.236 8.823 14.264 0.90 10.80 C HETATM 680 CA BMSE A 127 37.382 8.752 14.334 0.10 10.19 C HETATM 681 C AMSE A 127 38.562 9.498 13.934 0.90 10.01 C HETATM 682 C BMSE A 127 38.634 9.470 13.840 0.10 9.96 C HETATM 683 O AMSE A 127 39.628 8.935 14.183 0.90 10.43 O HETATM 684 O BMSE A 127 39.719 8.883 13.781 0.10 9.77 O HETATM 685 CB AMSE A 127 36.998 8.895 15.779 0.90 11.51 C HETATM 686 CB BMSE A 127 37.408 8.681 15.858 0.10 10.48 C HETATM 687 CG AMSE A 127 37.023 10.295 16.290 0.90 11.02 C HETATM 688 CG BMSE A 127 37.578 10.026 16.528 0.10 10.68 C HETATM 689 SE AMSE A 127 36.852 10.392 18.220 0.68 12.38 SE HETATM 690 SE BMSE A 127 35.918 11.026 16.558 0.07 11.06 SE HETATM 691 CE AMSE A 127 34.993 10.522 18.142 0.90 13.55 C HETATM 692 CE BMSE A 127 35.047 10.026 17.979 0.10 10.94 C HETATM 0 H AMSE A 127 37.333 6.842 14.379 0.90 9.92 H new HETATM 0 H BMSE A 127 37.337 6.782 14.343 0.10 9.92 H new HETATM 0 HA AMSE A 127 36.491 9.271 13.833 0.90 10.19 H new HETATM 0 HA BMSE A 127 36.592 9.241 14.055 0.10 10.19 H new HETATM 0 HB2AMSE A 127 36.141 8.492 15.989 0.90 10.48 H new HETATM 0 HB2BMSE A 127 36.583 8.276 16.169 0.10 10.48 H new HETATM 0 HB3AMSE A 127 37.677 8.374 16.236 0.90 10.48 H new HETATM 0 HB3BMSE A 127 38.132 8.098 16.134 0.10 10.48 H new HETATM 0 HG2AMSE A 127 37.853 10.719 16.021 0.90 10.68 H new HETATM 0 HG2BMSE A 127 37.895 9.898 17.436 0.10 10.68 H new HETATM 0 HG3AMSE A 127 36.302 10.798 15.880 0.90 10.68 H new HETATM 0 HG3BMSE A 127 38.256 10.538 16.060 0.10 10.68 H new HETATM 0 HE1AMSE A 127 34.635 10.587 19.041 0.90 10.94 H new HETATM 0 HE1BMSE A 127 34.166 10.397 18.143 0.10 10.94 H new HETATM 0 HE2AMSE A 127 34.745 11.312 17.637 0.90 10.94 H new HETATM 0 HE2BMSE A 127 34.962 9.096 17.716 0.10 10.94 H new HETATM 0 HE3AMSE A 127 34.631 9.734 17.707 0.90 10.94 H new HETATM 0 HE3BMSE A 127 35.578 10.085 18.789 0.10 10.94 H new ATOM 693 N LEU A 128 38.477 10.729 13.453 1.00 10.10 N ATOM 694 CA LEU A 128 39.607 11.543 13.028 1.00 9.25 C ATOM 695 C LEU A 128 39.842 12.621 14.089 1.00 9.74 C ATOM 696 O LEU A 128 39.013 12.864 14.970 1.00 9.41 O ATOM 697 CB LEU A 128 39.316 12.213 11.676 1.00 10.70 C ATOM 698 CG LEU A 128 39.029 11.214 10.548 1.00 10.93 C ATOM 699 CD1 LEU A 128 38.511 11.970 9.350 1.00 11.57 C ATOM 700 CD2 LEU A 128 40.234 10.380 10.187 1.00 10.10 C ATOM 0 H ALEU A 128 37.723 11.133 13.361 0.90 10.10 H new ATOM 0 H BLEU A 128 37.718 11.133 13.429 0.10 10.10 H new ATOM 0 HA LEU A 128 40.391 10.981 12.926 1.00 9.25 H new ATOM 0 HB2 LEU A 128 38.555 12.806 11.774 1.00 10.70 H new ATOM 0 HB3 LEU A 128 40.075 12.763 11.426 1.00 10.70 H new ATOM 0 HG LEU A 128 38.358 10.587 10.860 1.00 10.93 H new ATOM 0 HD11 LEU A 128 38.326 11.347 8.630 1.00 11.57 H new ATOM 0 HD12 LEU A 128 37.696 12.438 9.590 1.00 11.57 H new ATOM 0 HD13 LEU A 128 39.178 12.612 9.059 1.00 11.57 H new ATOM 0 HD21 LEU A 128 40.001 9.767 9.472 1.00 10.10 H new ATOM 0 HD22 LEU A 128 40.953 10.961 9.893 1.00 10.10 H new ATOM 0 HD23 LEU A 128 40.523 9.876 10.963 1.00 10.10 H new ATOM 701 N ASP A 129 40.987 13.275 14.004 1.00 9.46 N ATOM 702 CA ASP A 129 41.220 14.434 14.876 1.00 9.26 C ATOM 703 C ASP A 129 40.534 15.694 14.328 1.00 11.76 C ATOM 704 O ASP A 129 39.856 15.631 13.315 1.00 11.75 O ATOM 705 CB ASP A 129 42.732 14.589 15.185 1.00 11.19 C ATOM 706 CG ASP A 129 43.559 15.049 14.043 1.00 10.94 C ATOM 707 OD1 ASP A 129 43.073 15.552 13.022 1.00 10.05 O ATOM 708 OD2 ASP A 129 44.803 15.018 14.255 1.00 11.48 O ATOM 0 H ASP A 129 41.630 13.079 13.468 1.00 9.46 H new ATOM 0 HA ASP A 129 40.797 14.284 15.736 1.00 9.26 H new ATOM 0 HB2 ASP A 129 42.836 15.217 15.917 1.00 11.19 H new ATOM 0 HB3 ASP A 129 43.075 13.735 15.493 1.00 11.19 H new ATOM 709 N THR A 130 40.632 16.826 15.030 1.00 12.77 N ATOM 710 CA THR A 130 39.925 18.035 14.604 1.00 14.58 C ATOM 711 C THR A 130 40.402 18.592 13.304 1.00 14.81 C ATOM 712 O THR A 130 39.687 19.403 12.682 1.00 15.18 O ATOM 713 CB THR A 130 39.956 19.187 15.664 1.00 15.14 C ATOM 714 OG1 THR A 130 41.316 19.535 15.956 1.00 16.69 O ATOM 715 CG2 THR A 130 39.259 18.794 16.942 1.00 17.32 C ATOM 0 H THR A 130 41.097 16.914 15.748 1.00 12.77 H new ATOM 0 HA THR A 130 39.013 17.721 14.496 1.00 14.58 H new ATOM 0 HB THR A 130 39.486 19.947 15.287 1.00 15.14 H new ATOM 0 HG1 THR A 130 41.685 18.903 16.369 1.00 16.69 H new ATOM 0 HG21 THR A 130 39.299 19.530 17.572 1.00 17.32 H new ATOM 0 HG22 THR A 130 38.332 18.581 16.753 1.00 17.32 H new ATOM 0 HG23 THR A 130 39.697 18.018 17.324 1.00 17.32 H new ATOM 716 N GLU A 131 41.594 18.163 12.865 1.00 13.75 N ATOM 717 CA GLU A 131 42.082 18.543 11.530 1.00 15.39 C ATOM 718 C GLU A 131 41.553 17.654 10.428 1.00 15.20 C ATOM 719 O GLU A 131 41.798 17.931 9.249 1.00 17.66 O ATOM 720 CB GLU A 131 43.605 18.454 11.478 1.00 16.24 C ATOM 721 CG GLU A 131 44.324 19.111 12.599 1.00 17.34 C ATOM 722 CD GLU A 131 45.819 19.176 12.341 1.00 18.58 C ATOM 723 OE1 GLU A 131 46.194 19.678 11.252 1.00 18.89 O ATOM 724 OE2 GLU A 131 46.611 18.753 13.211 1.00 18.66 O ATOM 0 H GLU A 131 42.127 17.660 13.316 1.00 13.75 H new ATOM 0 HA GLU A 131 41.766 19.449 11.386 1.00 15.39 H new ATOM 0 HB2 GLU A 131 43.858 17.518 11.457 1.00 16.24 H new ATOM 0 HB3 GLU A 131 43.908 18.848 10.645 1.00 16.24 H new ATOM 0 HG2 GLU A 131 43.977 20.008 12.726 1.00 17.34 H new ATOM 0 HG3 GLU A 131 44.157 18.624 13.421 1.00 17.34 H new ATOM 725 N GLY A 132 40.849 16.586 10.805 1.00 13.96 N ATOM 726 CA GLY A 132 40.380 15.613 9.869 1.00 13.62 C ATOM 727 C GLY A 132 41.439 14.574 9.498 1.00 13.17 C ATOM 728 O GLY A 132 41.299 13.868 8.508 1.00 13.22 O ATOM 0 H GLY A 132 40.637 16.419 11.622 1.00 13.96 H new ATOM 0 HA2 GLY A 132 39.608 15.160 10.242 1.00 13.62 H new ATOM 0 HA3 GLY A 132 40.082 16.065 9.064 1.00 13.62 H new ATOM 729 N ASN A 133 42.489 14.455 10.290 1.00 11.70 N ATOM 730 CA ASN A 133 43.564 13.506 9.998 1.00 10.23 C ATOM 731 C ASN A 133 43.390 12.229 10.807 1.00 11.03 C ATOM 732 O ASN A 133 42.809 12.233 11.883 1.00 10.01 O ATOM 733 CB ASN A 133 44.928 14.098 10.361 1.00 10.09 C ATOM 734 CG ASN A 133 45.287 15.301 9.534 1.00 11.90 C ATOM 735 OD1 ASN A 133 44.802 15.471 8.402 1.00 14.27 O ATOM 736 ND2 ASN A 133 46.100 16.162 10.097 1.00 12.44 N ATOM 0 H ASN A 133 42.605 14.915 11.008 1.00 11.70 H new ATOM 0 HA ASN A 133 43.523 13.314 9.048 1.00 10.23 H new ATOM 0 HB2 ASN A 133 44.928 14.345 11.299 1.00 10.09 H new ATOM 0 HB3 ASN A 133 45.610 13.418 10.247 1.00 10.09 H new ATOM 0 HD21 ASN A 133 46.319 16.882 9.681 1.00 12.44 H new ATOM 0 HD22 ASN A 133 46.414 16.007 10.882 1.00 12.44 H new ATOM 737 N AARG A 134 43.874 11.115 10.268 0.50 11.57 N ATOM 738 N BARG A 134 43.939 11.143 10.279 0.50 11.42 N ATOM 739 CA AARG A 134 43.876 9.848 10.981 0.50 11.74 C ATOM 740 CA BARG A 134 43.976 9.882 10.975 0.50 11.42 C ATOM 741 C AARG A 134 44.793 9.944 12.204 0.50 11.48 C ATOM 742 C BARG A 134 44.780 10.051 12.259 0.50 11.23 C ATOM 743 O AARG A 134 45.934 10.378 12.100 0.50 11.90 O ATOM 744 O BARG A 134 45.808 10.704 12.279 0.50 11.78 O ATOM 745 CB AARG A 134 44.339 8.701 10.063 0.50 12.38 C ATOM 746 CB BARG A 134 44.614 8.801 10.085 0.50 11.78 C ATOM 747 CG AARG A 134 43.306 8.236 9.080 0.50 12.59 C ATOM 748 CG BARG A 134 44.746 7.458 10.779 0.50 12.01 C ATOM 0 H AARG A 134 44.210 11.075 9.478 0.50 11.42 H new ATOM 0 H BARG A 134 44.302 11.124 9.500 0.50 11.42 H new ATOM 0 HA AARG A 134 42.970 9.657 11.271 0.50 11.42 H new ATOM 0 HA BARG A 134 43.073 9.602 11.191 0.50 11.42 H new ATOM 0 HB2AARG A 134 45.126 8.990 9.575 0.50 11.78 H new ATOM 0 HB2BARG A 134 44.079 8.693 9.283 0.50 11.78 H new ATOM 0 HB3AARG A 134 44.607 7.949 10.614 0.50 11.78 H new ATOM 0 HB3BARG A 134 45.492 9.100 9.802 0.50 11.78 H new ATOM 749 N ILE A 135 44.286 9.468 13.334 1.00 10.53 N ATOM 750 CA ILE A 135 44.966 9.547 14.626 1.00 10.62 C ATOM 751 C ILE A 135 46.037 8.449 14.691 1.00 11.44 C ATOM 752 O ILE A 135 45.728 7.269 14.469 1.00 13.63 O ATOM 753 CB ILE A 135 43.933 9.437 15.764 1.00 10.47 C ATOM 754 CG1 ILE A 135 42.987 10.657 15.724 1.00 11.78 C ATOM 755 CG2 ILE A 135 44.674 9.273 17.100 1.00 10.65 C ATOM 756 CD1 ILE A 135 41.722 10.525 16.574 1.00 11.92 C ATOM 0 H AILE A 135 43.519 9.081 13.375 0.50 10.53 H new ATOM 0 H BILE A 135 43.554 9.017 13.344 0.50 10.53 H new ATOM 0 HA ILE A 135 45.411 10.402 14.731 1.00 10.62 H new ATOM 0 HB ILE A 135 43.372 8.653 15.655 1.00 10.47 H new ATOM 0 HG12 ILE A 135 43.478 11.440 16.019 1.00 11.78 H new ATOM 0 HG13 ILE A 135 42.726 10.817 14.803 1.00 11.78 H new ATOM 0 HG21 ILE A 135 44.029 9.203 17.821 1.00 10.65 H new ATOM 0 HG22 ILE A 135 45.217 8.469 17.073 1.00 10.65 H new ATOM 0 HG23 ILE A 135 45.245 10.043 17.250 1.00 10.65 H new ATOM 0 HD11 ILE A 135 41.190 11.332 16.490 1.00 11.92 H new ATOM 0 HD12 ILE A 135 41.205 9.763 16.269 1.00 11.92 H new ATOM 0 HD13 ILE A 135 41.968 10.396 17.503 1.00 11.92 H new ATOM 757 N THR A 136 47.271 8.836 14.990 1.00 12.46 N ATOM 758 CA THR A 136 48.403 7.921 15.011 1.00 14.37 C ATOM 759 C THR A 136 48.752 7.642 16.453 1.00 13.10 C ATOM 760 O THR A 136 48.048 8.084 17.351 1.00 11.82 O ATOM 761 CB THR A 136 49.589 8.509 14.209 1.00 15.67 C ATOM 762 OG1 THR A 136 50.073 9.686 14.848 1.00 18.74 O ATOM 763 CG2 THR A 136 49.141 8.825 12.757 1.00 17.52 C ATOM 0 H THR A 136 47.476 9.647 15.189 1.00 12.46 H new ATOM 0 HA THR A 136 48.179 7.081 14.580 1.00 14.37 H new ATOM 0 HB THR A 136 50.306 7.857 14.178 1.00 15.67 H new ATOM 0 HG1 THR A 136 49.456 10.254 14.893 1.00 18.74 H new ATOM 0 HG21 THR A 136 49.889 9.193 12.260 1.00 17.52 H new ATOM 0 HG22 THR A 136 48.838 8.010 12.327 1.00 17.52 H new ATOM 0 HG23 THR A 136 48.417 9.470 12.775 1.00 17.52 H new ATOM 764 N GLY A 137 49.843 6.916 16.701 1.00 14.19 N ATOM 765 CA GLY A 137 50.275 6.613 18.038 1.00 14.57 C ATOM 766 C GLY A 137 49.722 5.328 18.656 1.00 14.08 C ATOM 767 O GLY A 137 49.040 4.534 17.995 1.00 13.75 O ATOM 0 H GLY A 137 50.348 6.589 16.086 1.00 14.19 H new ATOM 0 HA2 GLY A 137 51.243 6.559 18.040 1.00 14.57 H new ATOM 0 HA3 GLY A 137 50.031 7.356 18.612 1.00 14.57 H new ATOM 768 N GLY A 138 50.021 5.190 19.948 1.00 16.41 N ATOM 769 CA GLY A 138 49.704 3.996 20.731 1.00 17.49 C ATOM 770 C GLY A 138 48.258 3.552 20.751 1.00 17.15 C ATOM 771 O GLY A 138 47.985 2.356 20.789 1.00 19.13 O ATOM 0 H GLY A 138 50.422 5.800 20.402 1.00 16.41 H new ATOM 0 HA2 GLY A 138 50.240 3.262 20.392 1.00 17.49 H new ATOM 0 HA3 GLY A 138 49.984 4.153 21.646 1.00 17.49 H new ATOM 772 N LEU A 139 47.324 4.500 20.677 1.00 14.44 N ATOM 773 CA LEU A 139 45.920 4.147 20.777 1.00 12.21 C ATOM 774 C LEU A 139 45.181 4.229 19.450 1.00 11.82 C ATOM 775 O LEU A 139 43.965 4.239 19.452 1.00 11.62 O ATOM 776 CB LEU A 139 45.252 5.073 21.818 1.00 11.69 C ATOM 777 CG LEU A 139 45.791 4.947 23.248 1.00 12.88 C ATOM 778 CD1 LEU A 139 45.035 5.867 24.176 1.00 11.59 C ATOM 779 CD2 LEU A 139 45.743 3.509 23.811 1.00 14.23 C ATOM 0 H LEU A 139 47.484 5.338 20.571 1.00 14.44 H new ATOM 0 HA LEU A 139 45.869 3.219 21.054 1.00 12.21 H new ATOM 0 HB2 LEU A 139 45.359 5.992 21.527 1.00 11.69 H new ATOM 0 HB3 LEU A 139 44.300 4.888 21.830 1.00 11.69 H new ATOM 0 HG LEU A 139 46.726 5.200 23.199 1.00 12.88 H new ATOM 0 HD11 LEU A 139 45.385 5.778 25.076 1.00 11.59 H new ATOM 0 HD12 LEU A 139 45.139 6.784 23.878 1.00 11.59 H new ATOM 0 HD13 LEU A 139 44.094 5.631 24.171 1.00 11.59 H new ATOM 0 HD21 LEU A 139 46.097 3.503 24.714 1.00 14.23 H new ATOM 0 HD22 LEU A 139 44.825 3.196 23.822 1.00 14.23 H new ATOM 0 HD23 LEU A 139 46.277 2.924 23.251 1.00 14.23 H new ATOM 780 N ALA A 140 45.918 4.249 18.328 1.00 11.23 N ATOM 781 CA ALA A 140 45.319 4.462 17.020 1.00 10.89 C ATOM 782 C ALA A 140 44.116 3.571 16.705 1.00 11.00 C ATOM 783 O ALA A 140 43.108 4.003 16.147 1.00 11.31 O ATOM 784 CB ALA A 140 46.401 4.246 15.927 1.00 11.74 C ATOM 0 H ALA A 140 46.771 4.140 18.313 1.00 11.23 H new ATOM 0 HA ALA A 140 44.981 5.371 17.031 1.00 10.89 H new ATOM 0 HB1 ALA A 140 46.009 4.386 15.051 1.00 11.74 H new ATOM 0 HB2 ALA A 140 47.127 4.876 16.061 1.00 11.74 H new ATOM 0 HB3 ALA A 140 46.744 3.341 15.986 1.00 11.74 H new ATOM 785 N GLU A 141 44.216 2.292 17.039 1.00 11.58 N ATOM 786 CA GLU A 141 43.149 1.378 16.681 1.00 13.56 C ATOM 787 C GLU A 141 41.901 1.519 17.558 1.00 12.95 C ATOM 788 O GLU A 141 40.812 1.044 17.208 1.00 12.60 O ATOM 789 CB GLU A 141 43.665 -0.056 16.759 1.00 15.66 C ATOM 790 CG GLU A 141 44.881 -0.368 15.854 1.00 17.82 C ATOM 0 H GLU A 141 44.877 1.941 17.463 1.00 11.58 H new ATOM 0 HA GLU A 141 42.880 1.604 15.777 1.00 13.56 H new ATOM 0 HB2 GLU A 141 43.906 -0.248 17.679 1.00 15.66 H new ATOM 0 HB3 GLU A 141 42.942 -0.658 16.524 1.00 15.66 H new ATOM 791 N HIS A 142 42.047 2.219 18.680 1.00 11.26 N ATOM 792 CA HIS A 142 40.932 2.468 19.554 1.00 11.33 C ATOM 793 C HIS A 142 39.877 3.466 19.017 1.00 10.99 C ATOM 794 O HIS A 142 38.823 3.642 19.634 1.00 10.23 O ATOM 795 CB HIS A 142 41.454 2.992 20.911 1.00 11.08 C ATOM 796 CG HIS A 142 42.232 1.990 21.706 1.00 11.98 C ATOM 797 ND1 HIS A 142 41.836 1.552 22.954 1.00 13.02 N ATOM 798 CD2 HIS A 142 43.398 1.365 21.439 1.00 14.21 C ATOM 799 CE1 HIS A 142 42.743 0.715 23.422 1.00 13.66 C ATOM 800 NE2 HIS A 142 43.692 0.576 22.520 1.00 13.68 N ATOM 0 H HIS A 142 42.792 2.556 18.945 1.00 11.26 H new ATOM 0 HA HIS A 142 40.478 1.615 19.634 1.00 11.33 H new ATOM 0 HB2 HIS A 142 42.015 3.767 20.751 1.00 11.08 H new ATOM 0 HB3 HIS A 142 40.699 3.292 21.441 1.00 11.08 H new ATOM 0 HD2 HIS A 142 43.907 1.453 20.666 1.00 14.21 H new ATOM 0 HE1 HIS A 142 42.716 0.294 24.251 1.00 13.66 H new ATOM 0 HE2 HIS A 142 44.384 0.072 22.597 1.00 13.68 H new ATOM 801 N TYR A 143 40.157 4.081 17.868 1.00 9.57 N ATOM 802 CA TYR A 143 39.282 5.082 17.268 1.00 9.49 C ATOM 803 C TYR A 143 38.366 4.477 16.174 1.00 9.11 C ATOM 804 O TYR A 143 37.597 5.183 15.547 1.00 10.80 O ATOM 805 CB TYR A 143 40.166 6.256 16.767 1.00 9.59 C ATOM 806 CG TYR A 143 40.790 6.963 17.919 1.00 10.20 C ATOM 807 CD1 TYR A 143 40.107 7.915 18.656 1.00 10.10 C ATOM 808 CD2 TYR A 143 42.066 6.638 18.337 1.00 10.40 C ATOM 809 CE1 TYR A 143 40.671 8.536 19.745 1.00 8.68 C ATOM 810 CE2 TYR A 143 42.626 7.229 19.445 1.00 9.88 C ATOM 811 CZ TYR A 143 41.927 8.181 20.147 1.00 9.09 C ATOM 812 OH TYR A 143 42.511 8.758 21.267 1.00 9.25 O ATOM 0 H TYR A 143 40.869 3.925 17.412 1.00 9.57 H new ATOM 0 HA TYR A 143 38.662 5.426 17.930 1.00 9.49 H new ATOM 0 HB2 TYR A 143 40.856 5.919 16.174 1.00 9.59 H new ATOM 0 HB3 TYR A 143 39.628 6.877 16.252 1.00 9.59 H new ATOM 0 HD1 TYR A 143 39.240 8.141 18.407 1.00 10.10 H new ATOM 0 HD2 TYR A 143 42.556 6.007 17.860 1.00 10.40 H new ATOM 0 HE1 TYR A 143 40.201 9.193 20.205 1.00 8.68 H new ATOM 0 HE2 TYR A 143 43.480 6.984 19.720 1.00 9.88 H new ATOM 0 HH TYR A 143 42.035 9.396 21.534 1.00 9.25 H new ATOM 813 N ILE A 144 38.410 3.164 16.036 1.00 9.08 N ATOM 814 CA ILE A 144 37.586 2.440 15.042 1.00 9.26 C ATOM 815 C ILE A 144 36.239 2.073 15.642 1.00 9.53 C ATOM 816 O ILE A 144 36.162 1.468 16.729 1.00 10.50 O ATOM 817 CB ILE A 144 38.259 1.158 14.595 1.00 10.03 C ATOM 818 CG1 ILE A 144 39.575 1.473 13.897 1.00 12.28 C ATOM 819 CG2 ILE A 144 37.315 0.396 13.620 1.00 11.95 C ATOM 820 CD1 ILE A 144 40.461 0.275 13.683 1.00 14.95 C ATOM 0 H ILE A 144 38.915 2.654 16.510 1.00 9.08 H new ATOM 0 HA ILE A 144 37.473 3.031 14.281 1.00 9.26 H new ATOM 0 HB ILE A 144 38.442 0.605 15.371 1.00 10.03 H new ATOM 0 HG12 ILE A 144 39.384 1.880 13.037 1.00 12.28 H new ATOM 0 HG13 ILE A 144 40.058 2.131 14.421 1.00 12.28 H new ATOM 0 HG21 ILE A 144 37.742 -0.426 13.331 1.00 11.95 H new ATOM 0 HG22 ILE A 144 36.483 0.186 14.073 1.00 11.95 H new ATOM 0 HG23 ILE A 144 37.130 0.952 12.847 1.00 11.95 H new ATOM 0 HD11 ILE A 144 41.276 0.551 13.236 1.00 14.95 H new ATOM 0 HD12 ILE A 144 40.681 -0.122 14.540 1.00 14.95 H new ATOM 0 HD13 ILE A 144 39.997 -0.377 13.135 1.00 14.95 H new ATOM 821 N LEU A 145 35.180 2.447 14.929 1.00 9.65 N ATOM 822 CA LEU A 145 33.826 1.938 15.224 1.00 8.22 C ATOM 823 C LEU A 145 33.436 0.946 14.112 1.00 8.90 C ATOM 824 O LEU A 145 33.344 1.321 12.972 1.00 11.59 O ATOM 825 CB LEU A 145 32.756 3.025 15.287 1.00 8.79 C ATOM 826 CG LEU A 145 33.076 4.183 16.229 1.00 8.16 C ATOM 827 CD1 LEU A 145 31.957 5.217 16.173 1.00 10.06 C ATOM 828 CD2 LEU A 145 33.260 3.712 17.689 1.00 10.08 C ATOM 0 H LEU A 145 35.217 2.995 14.268 1.00 9.65 H new ATOM 0 HA LEU A 145 33.863 1.527 16.102 1.00 8.22 H new ATOM 0 HB2 LEU A 145 32.619 3.379 14.394 1.00 8.79 H new ATOM 0 HB3 LEU A 145 31.918 2.621 15.564 1.00 8.79 H new ATOM 0 HG LEU A 145 33.913 4.574 15.933 1.00 8.16 H new ATOM 0 HD11 LEU A 145 32.164 5.951 16.773 1.00 10.06 H new ATOM 0 HD12 LEU A 145 31.873 5.554 15.267 1.00 10.06 H new ATOM 0 HD13 LEU A 145 31.122 4.805 16.443 1.00 10.06 H new ATOM 0 HD21 LEU A 145 33.461 4.475 18.253 1.00 10.08 H new ATOM 0 HD22 LEU A 145 32.444 3.289 17.998 1.00 10.08 H new ATOM 0 HD23 LEU A 145 33.991 3.076 17.734 1.00 10.08 H new ATOM 829 N ALYS A 146 33.270 -0.318 14.448 0.50 8.36 N ATOM 830 N BLYS A 146 33.224 -0.305 14.477 0.50 9.56 N ATOM 831 CA ALYS A 146 32.914 -1.329 13.433 0.50 8.49 C ATOM 832 CA BLYS A 146 32.916 -1.377 13.514 0.50 10.48 C ATOM 833 C ALYS A 146 31.427 -1.459 13.315 0.50 9.22 C ATOM 834 C BLYS A 146 31.421 -1.505 13.335 0.50 10.46 C ATOM 835 O ALYS A 146 30.685 -1.316 14.296 0.50 8.38 O ATOM 836 O BLYS A 146 30.658 -1.372 14.302 0.50 9.35 O ATOM 837 CB ALYS A 146 33.470 -2.690 13.783 0.50 9.03 C ATOM 838 CB BLYS A 146 33.485 -2.698 14.024 0.50 12.59 C ATOM 839 CG ALYS A 146 34.957 -2.704 13.918 0.50 10.00 C ATOM 840 CG BLYS A 146 33.548 -3.800 13.019 0.50 14.85 C ATOM 841 CD ALYS A 146 35.366 -4.018 14.532 0.50 11.84 C ATOM 842 CD BLYS A 146 34.753 -4.703 13.273 0.50 16.25 C ATOM 0 H ALYS A 146 33.355 -0.623 15.247 0.50 9.56 H new ATOM 0 H BLYS A 146 33.252 -0.570 15.295 0.50 9.56 H new ATOM 0 HA ALYS A 146 33.297 -1.027 12.595 0.50 10.48 H new ATOM 0 HA BLYS A 146 33.317 -1.158 12.658 0.50 10.48 H new ATOM 0 HB2ALYS A 146 33.073 -2.990 14.616 0.50 12.59 H new ATOM 0 HB2BLYS A 146 34.380 -2.538 14.362 0.50 12.59 H new ATOM 0 HB3ALYS A 146 33.208 -3.325 13.099 0.50 12.59 H new ATOM 0 HB3BLYS A 146 32.947 -2.996 14.774 0.50 12.59 H new ATOM 0 HG2ALYS A 146 35.376 -2.592 13.050 0.50 14.85 H new ATOM 0 HG2BLYS A 146 32.733 -4.324 13.057 0.50 14.85 H new ATOM 0 HG3ALYS A 146 35.253 -1.965 14.473 0.50 14.85 H new ATOM 0 HG3BLYS A 146 33.603 -3.425 12.126 0.50 14.85 H new ATOM 843 N LYS A 147 30.966 -1.793 12.117 1.00 10.13 N ATOM 844 CA LYS A 147 29.565 -2.070 11.923 1.00 11.22 C ATOM 845 C LYS A 147 29.104 -3.146 12.841 1.00 13.79 C ATOM 846 O LYS A 147 29.815 -4.138 13.079 1.00 14.76 O ATOM 847 CB LYS A 147 29.331 -2.607 10.524 1.00 14.06 C ATOM 848 CG LYS A 147 28.815 -1.656 9.638 1.00 15.56 C ATOM 849 CD LYS A 147 28.282 -2.339 8.355 1.00 16.27 C ATOM 850 CE LYS A 147 28.173 -1.329 7.282 1.00 15.53 C ATOM 851 NZ LYS A 147 28.020 -2.019 5.951 1.00 13.72 N ATOM 0 H ALYS A 147 31.451 -1.863 11.410 0.50 10.13 H new ATOM 0 H BLYS A 147 31.450 -1.831 11.407 0.50 10.13 H new ATOM 0 HA LYS A 147 29.089 -1.240 12.083 1.00 11.22 H new ATOM 0 HB2 LYS A 147 30.169 -2.945 10.171 1.00 14.06 H new ATOM 0 HB3 LYS A 147 28.719 -3.358 10.572 1.00 14.06 H new ATOM 0 HG2 LYS A 147 28.100 -1.161 10.068 1.00 15.56 H new ATOM 0 HG3 LYS A 147 29.505 -1.015 9.406 1.00 15.56 H new ATOM 0 HD2 LYS A 147 28.879 -3.054 8.083 1.00 16.27 H new ATOM 0 HD3 LYS A 147 27.416 -2.742 8.525 1.00 16.27 H new ATOM 0 HE2 LYS A 147 27.412 -0.751 7.446 1.00 15.53 H new ATOM 0 HE3 LYS A 147 28.962 -0.765 7.275 1.00 15.53 H new ATOM 0 HZ1 LYS A 147 28.071 -1.418 5.297 1.00 13.72 H new ATOM 0 HZ2 LYS A 147 28.669 -2.620 5.852 1.00 13.72 H new ATOM 0 HZ3 LYS A 147 27.230 -2.427 5.917 1.00 13.72 H new ATOM 852 N LYS A 148 27.895 -2.999 13.348 1.00 13.84 N ATOM 853 CA LYS A 148 27.374 -3.960 14.316 1.00 17.69 C ATOM 854 C LYS A 148 27.247 -5.371 13.738 1.00 20.93 C ATOM 855 O LYS A 148 26.899 -5.542 12.585 1.00 22.14 O ATOM 856 CB LYS A 148 25.997 -3.511 14.805 1.00 18.65 C ATOM 857 CG LYS A 148 25.406 -4.424 15.865 1.00 21.23 C ATOM 858 CD LYS A 148 24.263 -3.759 16.579 1.00 22.49 C ATOM 859 CE LYS A 148 23.693 -4.596 17.727 1.00 24.05 C ATOM 860 NZ LYS A 148 24.494 -4.431 18.990 1.00 24.89 N ATOM 0 H LYS A 148 27.359 -2.356 13.150 1.00 13.84 H new ATOM 0 HA LYS A 148 28.010 -3.990 15.048 1.00 17.69 H new ATOM 0 HB2 LYS A 148 26.066 -2.612 15.164 1.00 18.65 H new ATOM 0 HB3 LYS A 148 25.391 -3.469 14.049 1.00 18.65 H new ATOM 0 HG2 LYS A 148 25.098 -5.246 15.452 1.00 21.23 H new ATOM 0 HG3 LYS A 148 26.093 -4.668 16.505 1.00 21.23 H new ATOM 0 HD2 LYS A 148 24.562 -2.905 16.928 1.00 22.49 H new ATOM 0 HD3 LYS A 148 23.556 -3.573 15.941 1.00 22.49 H new ATOM 0 HE2 LYS A 148 22.773 -4.336 17.891 1.00 24.05 H new ATOM 0 HE3 LYS A 148 23.682 -5.531 17.471 1.00 24.05 H new ATOM 0 HZ1 LYS A 148 23.944 -4.406 19.689 1.00 24.89 H new ATOM 0 HZ2 LYS A 148 25.055 -5.117 19.078 1.00 24.89 H new ATOM 0 HZ3 LYS A 148 24.958 -3.672 18.951 1.00 24.89 H new ATOM 861 N AGLY A 149 27.659 -6.358 14.526 0.50 23.82 N ATOM 862 N BGLY A 149 27.379 -6.351 14.647 0.50 25.02 N ATOM 863 CA AGLY A 149 27.697 -7.743 14.049 0.50 24.46 C ATOM 864 CA BGLY A 149 27.310 -7.794 14.324 0.50 26.68 C ATOM 865 C AGLY A 149 29.018 -8.058 13.362 0.50 25.03 C ATOM 866 C BGLY A 149 28.699 -8.221 13.904 0.50 28.36 C ATOM 867 O AGLY A 149 29.081 -8.949 12.506 0.50 25.64 O ATOM 868 O BGLY A 149 29.219 -9.275 14.303 0.50 28.53 O ATOM 0 H AGLY A 149 27.921 -6.251 15.338 0.50 25.02 H new ATOM 0 H BGLY A 149 27.513 -6.196 15.482 0.50 25.02 H new ATOM 0 HA2AGLY A 149 27.567 -8.348 14.796 0.50 26.68 H new ATOM 0 HA2BGLY A 149 27.012 -8.304 15.094 0.50 26.68 H new ATOM 0 HA3AGLY A 149 26.965 -7.894 13.431 0.50 26.68 H new ATOM 0 HA3BGLY A 149 26.671 -7.956 13.612 0.50 26.68 H new HETATM 869 N AMSE A 150 30.079 -7.323 13.708 0.70 23.95 N HETATM 870 N BMSE A 150 29.306 -7.332 13.104 0.30 29.45 N HETATM 871 CA AMSE A 150 31.396 -7.653 13.181 0.70 23.11 C HETATM 872 CA BMSE A 150 30.667 -7.426 12.591 0.30 29.99 C HETATM 873 C AMSE A 150 32.437 -7.564 14.262 0.70 24.78 C HETATM 874 C BMSE A 150 31.657 -6.730 13.525 0.30 30.49 C HETATM 875 O AMSE A 150 32.159 -7.096 15.373 0.70 26.19 O HETATM 876 O BMSE A 150 31.257 -6.117 14.522 0.30 30.63 O HETATM 877 OXTAMSE A 150 33.560 -7.987 13.994 0.70 26.92 O HETATM 878 OXTBMSE A 150 32.876 -6.746 13.308 0.30 30.83 O HETATM 879 CB AMSE A 150 31.724 -6.760 12.001 0.70 20.38 C HETATM 880 CB BMSE A 150 30.724 -6.756 11.217 0.30 30.14 C HETATM 881 CG AMSE A 150 31.433 -7.458 10.704 0.70 19.19 C HETATM 882 CG BMSE A 150 29.649 -7.251 10.278 0.30 30.42 C HETATM 883 SE AMSE A 150 31.148 -6.132 9.463 0.50 15.09 SE HETATM 884 SE BMSE A 150 29.546 -6.470 8.482 0.25 30.76 SE HETATM 885 CE AMSE A 150 29.383 -5.911 9.796 0.70 4.74 C HETATM 886 CE BMSE A 150 28.586 -7.967 7.734 0.30 30.67 C HETATM 0 H AMSE A 150 30.055 -6.644 14.236 0.70 29.45 H new HETATM 0 H BMSE A 150 28.905 -6.620 12.835 0.30 29.45 H new HETATM 0 HA AMSE A 150 31.391 -8.570 12.864 0.70 29.99 H new HETATM 0 HA BMSE A 150 30.910 -8.363 12.528 0.30 29.99 H new HETATM 0 HB2AMSE A 150 31.206 -5.942 12.056 0.70 30.14 H new HETATM 0 HB2BMSE A 150 30.635 -5.796 11.326 0.30 30.14 H new HETATM 0 HB3AMSE A 150 32.660 -6.506 12.033 0.70 30.14 H new HETATM 0 HB3BMSE A 150 31.594 -6.917 10.819 0.30 30.14 H new HETATM 0 HG2AMSE A 150 32.175 -8.025 10.441 0.70 30.42 H new HETATM 0 HG2BMSE A 150 29.763 -8.209 10.177 0.30 30.42 H new HETATM 0 HG3AMSE A 150 30.654 -8.030 10.785 0.70 30.42 H new HETATM 0 HG3BMSE A 150 28.792 -7.111 10.710 0.30 30.42 H new HETATM 0 HE1AMSE A 150 29.028 -5.220 9.215 0.70 30.67 H new HETATM 0 HE1BMSE A 150 28.410 -7.802 6.795 0.30 30.67 H new HETATM 0 HE2AMSE A 150 28.915 -6.745 9.630 0.70 30.67 H new HETATM 0 HE2BMSE A 150 29.119 -8.772 7.826 0.30 30.67 H new HETATM 0 HE3AMSE A 150 29.258 -5.649 10.722 0.70 30.67 H new HETATM 0 HE3BMSE A 150 27.746 -8.081 8.205 0.30 30.67 H new TER 887 MSE A 150 ATOM 888 N GLY B 44 47.516 15.605 60.614 1.00 22.02 N ATOM 889 CA GLY B 44 48.692 16.113 59.857 1.00 19.17 C ATOM 890 C GLY B 44 49.427 15.023 59.071 1.00 16.68 C ATOM 891 O GLY B 44 50.331 15.307 58.294 1.00 14.11 O ATOM 0 HA2 GLY B 44 48.399 16.804 59.242 1.00 19.17 H new ATOM 0 HA3 GLY B 44 49.312 16.529 60.476 1.00 19.17 H new ATOM 892 N ASP B 45 49.079 13.764 59.294 1.00 16.22 N ATOM 893 CA ASP B 45 49.775 12.654 58.646 1.00 15.68 C ATOM 894 C ASP B 45 49.145 12.427 57.298 1.00 14.39 C ATOM 895 O ASP B 45 48.329 11.511 57.087 1.00 15.74 O ATOM 896 CB ASP B 45 49.721 11.396 59.524 1.00 17.56 C ATOM 897 CG ASP B 45 50.535 10.242 58.945 1.00 20.45 C ATOM 898 OD1 ASP B 45 51.227 10.416 57.930 1.00 20.20 O ATOM 899 OD2 ASP B 45 50.499 9.119 59.552 1.00 24.54 O ATOM 0 H ASP B 45 48.440 13.527 59.819 1.00 16.22 H new ATOM 0 HA ASP B 45 50.714 12.867 58.525 1.00 15.68 H new ATOM 0 HB2 ASP B 45 50.053 11.609 60.410 1.00 17.56 H new ATOM 0 HB3 ASP B 45 48.798 11.117 59.627 1.00 17.56 H new ATOM 900 N THR B 46 49.510 13.316 56.373 1.00 11.63 N ATOM 901 CA THR B 46 48.953 13.338 55.039 1.00 11.26 C ATOM 902 C THR B 46 50.023 13.267 53.958 1.00 10.84 C ATOM 903 O THR B 46 51.166 13.590 54.218 1.00 11.08 O ATOM 904 CB THR B 46 48.170 14.645 54.817 1.00 11.05 C ATOM 905 OG1 THR B 46 49.095 15.734 54.893 1.00 11.16 O ATOM 906 CG2 THR B 46 47.047 14.823 55.878 1.00 11.26 C ATOM 0 H THR B 46 50.097 13.928 56.513 1.00 11.63 H new ATOM 0 HA THR B 46 48.379 12.559 54.971 1.00 11.26 H new ATOM 0 HB THR B 46 47.742 14.619 53.947 1.00 11.05 H new ATOM 0 HG1 THR B 46 48.672 16.457 54.952 1.00 11.16 H new ATOM 0 HG21 THR B 46 46.573 15.653 55.712 1.00 11.26 H new ATOM 0 HG22 THR B 46 46.426 14.080 55.820 1.00 11.26 H new ATOM 0 HG23 THR B 46 47.440 14.847 56.764 1.00 11.26 H new ATOM 907 N SER B 47 49.631 12.956 52.721 1.00 10.77 N ATOM 908 CA SER B 47 50.546 13.033 51.588 1.00 11.61 C ATOM 909 C SER B 47 51.089 14.431 51.347 1.00 11.41 C ATOM 910 O SER B 47 52.267 14.589 50.986 1.00 11.13 O ATOM 911 CB SER B 47 49.883 12.557 50.320 1.00 12.86 C ATOM 912 OG SER B 47 49.455 11.206 50.459 1.00 15.26 O ATOM 0 H SER B 47 48.836 12.698 52.519 1.00 10.77 H new ATOM 0 HA SER B 47 51.289 12.455 51.821 1.00 11.61 H new ATOM 0 HB2 SER B 47 49.123 13.123 50.114 1.00 12.86 H new ATOM 0 HB3 SER B 47 50.502 12.631 49.577 1.00 12.86 H new ATOM 0 HG SER B 47 48.906 11.022 49.850 1.00 15.26 H new ATOM 913 N GLN B 48 50.250 15.442 51.567 1.00 10.30 N ATOM 914 CA GLN B 48 50.628 16.817 51.431 1.00 10.22 C ATOM 915 C GLN B 48 51.842 17.122 52.316 1.00 8.96 C ATOM 916 O GLN B 48 52.742 17.880 51.908 1.00 9.04 O ATOM 917 CB GLN B 48 49.459 17.740 51.775 1.00 10.19 C ATOM 918 CG GLN B 48 49.715 19.222 51.745 1.00 9.78 C ATOM 919 CD GLN B 48 48.488 20.030 52.105 1.00 10.11 C ATOM 920 OE1 GLN B 48 47.508 19.496 52.657 1.00 11.34 O ATOM 921 NE2 GLN B 48 48.522 21.306 51.739 1.00 13.28 N ATOM 0 H GLN B 48 49.431 15.331 51.804 1.00 10.30 H new ATOM 0 HA GLN B 48 50.872 16.979 50.506 1.00 10.22 H new ATOM 0 HB2 GLN B 48 48.735 17.548 51.159 1.00 10.19 H new ATOM 0 HB3 GLN B 48 49.145 17.508 52.663 1.00 10.19 H new ATOM 0 HG2 GLN B 48 50.432 19.436 52.363 1.00 9.78 H new ATOM 0 HG3 GLN B 48 50.018 19.477 50.859 1.00 9.78 H new ATOM 0 HE21 GLN B 48 49.225 21.626 51.361 1.00 13.28 H new ATOM 0 HE22 GLN B 48 47.841 21.812 51.880 1.00 13.28 H new ATOM 922 N ASN B 49 51.893 16.550 53.517 1.00 9.83 N ATOM 923 CA ASN B 49 53.032 16.745 54.420 1.00 10.21 C ATOM 924 C ASN B 49 54.158 15.763 54.198 1.00 10.71 C ATOM 925 O ASN B 49 55.311 16.093 54.472 1.00 13.73 O ATOM 926 CB ASN B 49 52.601 16.781 55.898 1.00 11.23 C ATOM 927 CG ASN B 49 51.738 18.023 56.221 1.00 11.86 C ATOM 928 OD1 ASN B 49 51.871 19.081 55.567 1.00 12.56 O ATOM 929 ND2 ASN B 49 50.854 17.895 57.239 1.00 11.43 N ATOM 0 H ASN B 49 51.275 16.042 53.832 1.00 9.83 H new ATOM 0 HA ASN B 49 53.389 17.618 54.194 1.00 10.21 H new ATOM 0 HB2 ASN B 49 52.100 15.977 56.107 1.00 11.23 H new ATOM 0 HB3 ASN B 49 53.389 16.780 56.464 1.00 11.23 H new ATOM 0 HD21 ASN B 49 50.354 18.559 57.460 1.00 11.43 H new ATOM 0 HD22 ASN B 49 50.793 17.150 57.664 1.00 11.43 H new ATOM 930 N ALA B 50 53.847 14.594 53.685 1.00 9.43 N ATOM 931 CA ALA B 50 54.829 13.490 53.584 1.00 10.34 C ATOM 932 C ALA B 50 55.723 13.570 52.350 1.00 9.85 C ATOM 933 O ALA B 50 56.887 13.166 52.394 1.00 10.45 O ATOM 934 CB ALA B 50 54.169 12.186 53.573 1.00 11.33 C ATOM 0 H ALA B 50 53.067 14.399 53.381 1.00 9.43 H new ATOM 0 HA ALA B 50 55.386 13.589 54.372 1.00 10.34 H new ATOM 0 HB1 ALA B 50 54.837 11.486 53.506 1.00 11.33 H new ATOM 0 HB2 ALA B 50 53.663 12.072 54.393 1.00 11.33 H new ATOM 0 HB3 ALA B 50 53.569 12.133 52.813 1.00 11.33 H new ATOM 935 N LEU B 51 55.131 14.020 51.238 1.00 10.75 N ATOM 936 CA LEU B 51 55.746 13.872 49.924 1.00 10.58 C ATOM 937 C LEU B 51 56.475 15.107 49.503 1.00 10.15 C ATOM 938 O LEU B 51 56.066 16.222 49.831 1.00 11.25 O ATOM 939 CB LEU B 51 54.680 13.493 48.875 1.00 11.53 C ATOM 940 CG LEU B 51 53.918 12.176 49.008 1.00 13.31 C ATOM 941 CD1 LEU B 51 52.798 12.003 47.945 1.00 14.85 C ATOM 942 CD2 LEU B 51 54.879 11.018 48.963 1.00 15.65 C ATOM 0 H LEU B 51 54.368 14.416 51.229 1.00 10.75 H new ATOM 0 HA LEU B 51 56.400 13.158 49.987 1.00 10.58 H new ATOM 0 HB2 LEU B 51 54.023 14.207 48.859 1.00 11.53 H new ATOM 0 HB3 LEU B 51 55.116 13.489 48.008 1.00 11.53 H new ATOM 0 HG LEU B 51 53.471 12.196 49.868 1.00 13.31 H new ATOM 0 HD11 LEU B 51 52.352 11.152 48.080 1.00 14.85 H new ATOM 0 HD12 LEU B 51 52.154 12.723 48.033 1.00 14.85 H new ATOM 0 HD13 LEU B 51 53.188 12.026 47.057 1.00 14.85 H new ATOM 0 HD21 LEU B 51 54.388 10.186 49.048 1.00 15.65 H new ATOM 0 HD22 LEU B 51 55.357 11.026 48.119 1.00 15.65 H new ATOM 0 HD23 LEU B 51 55.513 11.095 49.693 1.00 15.65 H new ATOM 943 N ASP B 52 57.559 14.892 48.748 1.00 10.07 N ATOM 944 CA ASP B 52 58.229 15.993 48.045 1.00 10.67 C ATOM 945 C ASP B 52 57.471 16.211 46.734 1.00 10.53 C ATOM 946 O ASP B 52 57.988 15.891 45.639 1.00 11.71 O ATOM 947 CB ASP B 52 59.728 15.754 47.830 1.00 14.17 C ATOM 948 CG ASP B 52 60.382 16.948 47.143 1.00 18.40 C ATOM 949 OD1 ASP B 52 59.876 18.072 47.335 1.00 20.02 O ATOM 950 OD2 ASP B 52 61.423 16.731 46.468 1.00 23.42 O ATOM 0 H ASP B 52 57.920 14.120 48.631 1.00 10.07 H new ATOM 0 HA ASP B 52 58.202 16.795 48.590 1.00 10.67 H new ATOM 0 HB2 ASP B 52 60.159 15.593 48.684 1.00 14.17 H new ATOM 0 HB3 ASP B 52 59.858 14.957 47.292 1.00 14.17 H new ATOM 951 N TRP B 53 56.254 16.716 46.854 1.00 10.30 N ATOM 952 CA TRP B 53 55.378 16.877 45.712 1.00 9.73 C ATOM 953 C TRP B 53 55.637 18.091 44.856 1.00 9.84 C ATOM 954 O TRP B 53 55.275 18.047 43.666 1.00 9.96 O ATOM 955 CB TRP B 53 53.918 16.773 46.129 1.00 10.14 C ATOM 956 CG TRP B 53 53.506 17.713 47.189 1.00 9.11 C ATOM 957 CD1 TRP B 53 53.399 17.451 48.543 1.00 10.25 C ATOM 958 CD2 TRP B 53 53.161 19.084 47.025 1.00 9.67 C ATOM 959 NE1 TRP B 53 53.052 18.585 49.202 1.00 10.84 N ATOM 960 CE2 TRP B 53 52.893 19.601 48.293 1.00 9.79 C ATOM 961 CE3 TRP B 53 53.073 19.929 45.911 1.00 10.36 C ATOM 962 CZ2 TRP B 53 52.510 20.902 48.489 1.00 10.13 C ATOM 963 CZ3 TRP B 53 52.708 21.244 46.096 1.00 10.43 C ATOM 964 CH2 TRP B 53 52.433 21.726 47.372 1.00 11.26 C ATOM 0 H TRP B 53 55.914 16.975 47.600 1.00 10.30 H new ATOM 0 HA TRP B 53 55.595 16.135 45.125 1.00 9.73 H new ATOM 0 HB2 TRP B 53 53.361 16.921 45.349 1.00 10.14 H new ATOM 0 HB3 TRP B 53 53.746 15.868 46.433 1.00 10.14 H new ATOM 0 HD1 TRP B 53 53.543 16.623 48.941 1.00 10.25 H new ATOM 0 HE1 TRP B 53 52.948 18.656 50.053 1.00 10.84 H new ATOM 0 HE3 TRP B 53 53.258 19.606 45.059 1.00 10.36 H new ATOM 0 HZ2 TRP B 53 52.309 21.222 49.339 1.00 10.13 H new ATOM 0 HZ3 TRP B 53 52.645 21.813 45.363 1.00 10.43 H new ATOM 0 HH2 TRP B 53 52.193 22.618 47.480 1.00 11.26 H new ATOM 965 N PRO B 54 56.249 19.161 45.351 1.00 9.93 N ATOM 966 CA PRO B 54 56.464 20.265 44.411 1.00 10.36 C ATOM 967 C PRO B 54 57.396 19.795 43.318 1.00 10.96 C ATOM 968 O PRO B 54 58.359 19.045 43.580 1.00 11.16 O ATOM 969 CB PRO B 54 57.111 21.374 45.275 1.00 9.83 C ATOM 970 CG PRO B 54 56.574 21.073 46.641 1.00 10.64 C ATOM 971 CD PRO B 54 56.534 19.573 46.737 1.00 9.82 C ATOM 0 HA PRO B 54 55.656 20.581 43.978 1.00 10.36 H new ATOM 0 HB2 PRO B 54 58.080 21.332 45.250 1.00 9.83 H new ATOM 0 HB3 PRO B 54 56.857 22.261 44.974 1.00 9.83 H new ATOM 0 HG2 PRO B 54 57.142 21.452 47.330 1.00 10.64 H new ATOM 0 HG3 PRO B 54 55.690 21.454 46.760 1.00 10.64 H new ATOM 0 HD2 PRO B 54 57.376 19.211 47.054 1.00 9.82 H new ATOM 0 HD3 PRO B 54 55.846 19.270 47.351 1.00 9.82 H new ATOM 972 N GLY B 55 57.126 20.216 42.085 1.00 10.37 N ATOM 973 CA GLY B 55 57.920 19.796 40.961 1.00 11.69 C ATOM 974 C GLY B 55 57.115 19.663 39.692 1.00 10.18 C ATOM 975 O GLY B 55 55.980 20.100 39.595 1.00 10.19 O ATOM 0 H GLY B 55 56.480 20.749 41.888 1.00 10.37 H new ATOM 0 HA2 GLY B 55 58.636 20.435 40.819 1.00 11.69 H new ATOM 0 HA3 GLY B 55 58.337 18.944 41.165 1.00 11.69 H new ATOM 976 N VAL B 56 57.720 19.032 38.721 1.00 9.44 N ATOM 977 CA VAL B 56 57.195 18.925 37.362 1.00 8.91 C ATOM 978 C VAL B 56 56.851 17.477 37.088 1.00 9.73 C ATOM 979 O VAL B 56 57.693 16.571 37.259 1.00 10.24 O ATOM 980 CB VAL B 56 58.266 19.362 36.404 1.00 9.45 C ATOM 981 CG1 VAL B 56 57.766 19.273 34.950 1.00 11.09 C ATOM 982 CG2 VAL B 56 58.725 20.799 36.658 1.00 10.41 C ATOM 0 H VAL B 56 58.476 18.635 38.825 1.00 9.44 H new ATOM 0 HA VAL B 56 56.405 19.479 37.258 1.00 8.91 H new ATOM 0 HB VAL B 56 59.015 18.762 36.546 1.00 9.45 H new ATOM 0 HG11 VAL B 56 58.470 19.559 34.347 1.00 11.09 H new ATOM 0 HG12 VAL B 56 57.520 18.357 34.748 1.00 11.09 H new ATOM 0 HG13 VAL B 56 56.992 19.847 34.838 1.00 11.09 H new ATOM 0 HG21 VAL B 56 59.414 21.037 36.018 1.00 10.41 H new ATOM 0 HG22 VAL B 56 57.971 21.402 36.560 1.00 10.41 H new ATOM 0 HG23 VAL B 56 59.081 20.871 37.558 1.00 10.41 H new ATOM 983 N TYR B 57 55.636 17.255 36.590 1.00 8.77 N ATOM 984 CA TYR B 57 55.146 15.938 36.261 1.00 8.78 C ATOM 985 C TYR B 57 54.746 15.870 34.796 1.00 10.02 C ATOM 986 O TYR B 57 54.190 16.843 34.272 1.00 10.95 O ATOM 987 CB TYR B 57 53.938 15.576 37.142 1.00 9.44 C ATOM 988 CG TYR B 57 54.202 15.629 38.624 1.00 8.20 C ATOM 989 CD1 TYR B 57 54.187 16.800 39.313 1.00 9.52 C ATOM 990 CD2 TYR B 57 54.477 14.474 39.336 1.00 8.85 C ATOM 991 CE1 TYR B 57 54.418 16.839 40.675 1.00 10.58 C ATOM 992 CE2 TYR B 57 54.674 14.491 40.689 1.00 9.38 C ATOM 993 CZ TYR B 57 54.626 15.698 41.353 1.00 10.53 C ATOM 994 OH TYR B 57 54.882 15.717 42.718 1.00 11.81 O ATOM 0 H TYR B 57 55.070 17.883 36.434 1.00 8.77 H new ATOM 0 HA TYR B 57 55.859 15.302 36.425 1.00 8.78 H new ATOM 0 HB2 TYR B 57 53.209 16.181 36.934 1.00 9.44 H new ATOM 0 HB3 TYR B 57 53.640 14.682 36.911 1.00 9.44 H new ATOM 0 HD1 TYR B 57 54.017 17.593 38.858 1.00 9.52 H new ATOM 0 HD2 TYR B 57 54.529 13.664 38.882 1.00 8.85 H new ATOM 0 HE1 TYR B 57 54.429 17.655 41.122 1.00 10.58 H new ATOM 0 HE2 TYR B 57 54.838 13.702 41.153 1.00 9.38 H new ATOM 0 HH TYR B 57 55.298 16.419 42.915 1.00 11.81 H new ATOM 995 N GLU B 58 55.041 14.768 34.144 1.00 9.98 N ATOM 996 CA GLU B 58 54.817 14.650 32.726 1.00 11.16 C ATOM 997 C GLU B 58 54.254 13.290 32.341 1.00 10.54 C ATOM 998 O GLU B 58 54.577 12.290 32.917 1.00 12.02 O ATOM 999 CB GLU B 58 56.142 14.763 31.957 1.00 13.31 C ATOM 1000 CG GLU B 58 56.848 16.048 32.068 1.00 17.70 C ATOM 1001 CD GLU B 58 58.203 16.133 31.321 1.00 20.73 C ATOM 1002 OE1 GLU B 58 58.837 15.114 30.985 1.00 25.19 O ATOM 1003 OE2 GLU B 58 58.613 17.255 31.104 1.00 25.32 O ATOM 0 H GLU B 58 55.377 14.067 34.511 1.00 9.98 H new ATOM 0 HA GLU B 58 54.194 15.360 32.504 1.00 11.16 H new ATOM 0 HB2 GLU B 58 56.735 14.061 32.267 1.00 13.31 H new ATOM 0 HB3 GLU B 58 55.966 14.592 31.019 1.00 13.31 H new ATOM 0 HG2 GLU B 58 56.267 16.748 31.732 1.00 17.70 H new ATOM 0 HG3 GLU B 58 57.002 16.234 33.007 1.00 17.70 H new ATOM 1004 N GLY B 59 53.457 13.290 31.282 1.00 10.32 N ATOM 1005 CA GLY B 59 52.916 12.051 30.705 1.00 11.42 C ATOM 1006 C GLY B 59 52.194 12.383 29.436 1.00 10.93 C ATOM 1007 O GLY B 59 51.935 13.540 29.169 1.00 11.68 O ATOM 0 H GLY B 59 53.210 14.005 30.872 1.00 10.32 H new ATOM 0 HA2 GLY B 59 53.633 11.422 30.528 1.00 11.42 H new ATOM 0 HA3 GLY B 59 52.312 11.624 31.333 1.00 11.42 H new ATOM 1008 N VAL B 60 51.804 11.345 28.706 1.00 10.51 N ATOM 1009 CA VAL B 60 50.960 11.490 27.520 1.00 10.55 C ATOM 1010 C VAL B 60 49.634 10.820 27.859 1.00 10.73 C ATOM 1011 O VAL B 60 49.527 9.594 27.947 1.00 11.91 O ATOM 1012 CB VAL B 60 51.567 10.896 26.274 1.00 11.60 C ATOM 1013 CG1 VAL B 60 50.669 11.174 25.083 1.00 12.33 C ATOM 1014 CG2 VAL B 60 52.933 11.515 26.012 1.00 13.22 C ATOM 0 H VAL B 60 52.021 10.532 28.883 1.00 10.51 H new ATOM 0 HA VAL B 60 50.850 12.431 27.311 1.00 10.55 H new ATOM 0 HB VAL B 60 51.661 9.939 26.401 1.00 11.60 H new ATOM 0 HG11 VAL B 60 51.063 10.790 24.284 1.00 12.33 H new ATOM 0 HG12 VAL B 60 49.797 10.777 25.235 1.00 12.33 H new ATOM 0 HG13 VAL B 60 50.572 12.132 24.967 1.00 12.33 H new ATOM 0 HG21 VAL B 60 53.316 11.127 25.209 1.00 13.22 H new ATOM 0 HG22 VAL B 60 52.837 12.473 25.894 1.00 13.22 H new ATOM 0 HG23 VAL B 60 53.518 11.340 26.766 1.00 13.22 H new ATOM 1015 N LEU B 61 48.636 11.648 28.094 1.00 9.51 N ATOM 1016 CA LEU B 61 47.334 11.217 28.527 1.00 10.01 C ATOM 1017 C LEU B 61 46.464 10.877 27.311 1.00 9.38 C ATOM 1018 O LEU B 61 46.674 11.405 26.200 1.00 9.75 O ATOM 1019 CB LEU B 61 46.611 12.341 29.275 1.00 11.19 C ATOM 1020 CG LEU B 61 47.235 12.840 30.588 1.00 13.35 C ATOM 1021 CD1 LEU B 61 46.520 14.143 31.044 1.00 14.75 C ATOM 1022 CD2 LEU B 61 47.112 11.772 31.625 1.00 14.25 C ATOM 0 H LEU B 61 48.703 12.500 28.002 1.00 9.51 H new ATOM 0 HA LEU B 61 47.461 10.446 29.102 1.00 10.01 H new ATOM 0 HB2 LEU B 61 46.534 13.098 28.674 1.00 11.19 H new ATOM 0 HB3 LEU B 61 45.710 12.040 29.468 1.00 11.19 H new ATOM 0 HG LEU B 61 48.175 13.040 30.456 1.00 13.35 H new ATOM 0 HD11 LEU B 61 46.915 14.456 31.873 1.00 14.75 H new ATOM 0 HD12 LEU B 61 46.621 14.824 30.361 1.00 14.75 H new ATOM 0 HD13 LEU B 61 45.577 13.963 31.184 1.00 14.75 H new ATOM 0 HD21 LEU B 61 47.504 12.081 32.456 1.00 14.25 H new ATOM 0 HD22 LEU B 61 46.175 11.565 31.767 1.00 14.25 H new ATOM 0 HD23 LEU B 61 47.577 10.975 31.326 1.00 14.25 H new ATOM 1023 N PRO B 62 45.470 10.003 27.467 1.00 9.56 N ATOM 1024 CA PRO B 62 44.553 9.750 26.351 1.00 9.91 C ATOM 1025 C PRO B 62 43.790 10.994 25.956 1.00 9.50 C ATOM 1026 O PRO B 62 43.392 11.782 26.796 1.00 10.13 O ATOM 1027 CB PRO B 62 43.600 8.688 26.910 1.00 9.13 C ATOM 1028 CG PRO B 62 44.421 7.978 27.942 1.00 10.26 C ATOM 1029 CD PRO B 62 45.211 9.116 28.599 1.00 10.53 C ATOM 0 HA PRO B 62 45.019 9.469 25.548 1.00 9.91 H new ATOM 0 HB2 PRO B 62 42.808 9.090 27.300 1.00 9.13 H new ATOM 0 HB3 PRO B 62 43.297 8.081 26.217 1.00 9.13 H new ATOM 0 HG2 PRO B 62 43.864 7.510 28.584 1.00 10.26 H new ATOM 0 HG3 PRO B 62 45.008 7.318 27.542 1.00 10.26 H new ATOM 0 HD2 PRO B 62 44.700 9.557 29.296 1.00 10.53 H new ATOM 0 HD3 PRO B 62 46.032 8.799 29.007 1.00 10.53 H new ATOM 1030 N CYS B 63 43.551 11.142 24.666 1.00 9.66 N ATOM 1031 CA CYS B 63 42.881 12.270 24.093 1.00 9.44 C ATOM 1032 C CYS B 63 41.586 11.787 23.438 1.00 10.15 C ATOM 1033 O CYS B 63 41.596 10.811 22.665 1.00 9.41 O ATOM 1034 CB CYS B 63 43.805 12.894 23.055 1.00 9.87 C ATOM 1035 SG CYS B 63 43.263 14.406 22.316 1.00 11.70 S ATOM 0 H CYS B 63 43.788 10.558 24.081 1.00 9.66 H new ATOM 0 HA CYS B 63 42.664 12.931 24.769 1.00 9.44 H new ATOM 0 HB2 CYS B 63 44.666 13.053 23.473 1.00 9.87 H new ATOM 0 HB3 CYS B 63 43.948 12.246 22.348 1.00 9.87 H new ATOM 1036 N ALA B 64 40.485 12.499 23.678 1.00 9.84 N ATOM 1037 CA ALA B 64 39.208 12.084 23.089 1.00 10.06 C ATOM 1038 C ALA B 64 39.263 12.047 21.576 1.00 10.30 C ATOM 1039 O ALA B 64 38.654 11.184 20.960 1.00 9.47 O ATOM 1040 CB ALA B 64 38.022 12.963 23.604 1.00 10.87 C ATOM 0 H ALA B 64 40.453 13.207 24.165 1.00 9.84 H new ATOM 0 HA ALA B 64 39.043 11.175 23.386 1.00 10.06 H new ATOM 0 HB1 ALA B 64 37.195 12.662 23.196 1.00 10.87 H new ATOM 0 HB2 ALA B 64 37.954 12.882 24.568 1.00 10.87 H new ATOM 0 HB3 ALA B 64 38.180 13.890 23.368 1.00 10.87 H new ATOM 1041 N SER B 65 39.962 12.993 20.952 1.00 11.88 N ATOM 1042 CA SER B 65 39.965 13.037 19.485 1.00 12.46 C ATOM 1043 C SER B 65 41.299 13.433 18.956 1.00 10.44 C ATOM 1044 O SER B 65 41.389 14.260 18.017 1.00 10.96 O ATOM 1045 CB SER B 65 38.887 13.962 18.943 1.00 15.57 C ATOM 1046 OG SER B 65 39.053 15.225 19.503 1.00 18.29 O ATOM 0 H SER B 65 40.428 13.602 21.341 1.00 11.88 H new ATOM 0 HA SER B 65 39.768 12.138 19.179 1.00 12.46 H new ATOM 0 HB2 SER B 65 38.944 14.014 17.976 1.00 15.57 H new ATOM 0 HB3 SER B 65 38.007 13.613 19.157 1.00 15.57 H new ATOM 0 HG SER B 65 39.760 15.571 19.209 1.00 18.29 H new ATOM 1047 N CYS B 66 42.346 12.835 19.501 1.00 10.07 N ATOM 1048 CA CYS B 66 43.697 13.084 18.976 1.00 10.43 C ATOM 1049 C CYS B 66 44.637 11.992 19.480 1.00 10.38 C ATOM 1050 O CYS B 66 44.205 11.156 20.275 1.00 10.58 O ATOM 1051 CB CYS B 66 44.199 14.510 19.312 1.00 11.04 C ATOM 1052 SG CYS B 66 44.849 14.813 20.962 1.00 11.12 S ATOM 0 H CYS B 66 42.307 12.289 20.164 1.00 10.07 H new ATOM 0 HA CYS B 66 43.674 13.045 18.007 1.00 10.43 H new ATOM 0 HB2 CYS B 66 44.892 14.739 18.673 1.00 11.04 H new ATOM 0 HB3 CYS B 66 43.464 15.126 19.165 1.00 11.04 H new ATOM 1053 N GLU B 67 45.880 11.992 19.005 1.00 10.45 N ATOM 1054 CA GLU B 67 46.841 10.982 19.379 1.00 10.82 C ATOM 1055 C GLU B 67 47.059 10.852 20.881 1.00 9.95 C ATOM 1056 O GLU B 67 47.194 9.762 21.415 1.00 10.26 O ATOM 1057 CB GLU B 67 48.183 11.303 18.716 1.00 12.68 C ATOM 1058 CG GLU B 67 49.320 10.477 19.224 1.00 15.77 C ATOM 1059 CD GLU B 67 50.607 10.799 18.505 1.00 20.29 C ATOM 1060 OE1 GLU B 67 50.531 11.497 17.473 1.00 24.28 O ATOM 1061 OE2 GLU B 67 51.640 10.336 18.978 1.00 22.34 O ATOM 0 H GLU B 67 46.182 12.582 18.457 1.00 10.45 H new ATOM 0 HA GLU B 67 46.477 10.135 19.077 1.00 10.82 H new ATOM 0 HB2 GLU B 67 48.101 11.171 17.759 1.00 12.68 H new ATOM 0 HB3 GLU B 67 48.387 12.241 18.857 1.00 12.68 H new ATOM 0 HG2 GLU B 67 49.433 10.631 20.175 1.00 15.77 H new ATOM 0 HG3 GLU B 67 49.113 9.536 19.112 1.00 15.77 H new ATOM 1062 N GLY B 68 47.114 11.977 21.563 1.00 9.32 N ATOM 1063 CA GLY B 68 47.400 11.982 22.970 1.00 9.44 C ATOM 1064 C GLY B 68 47.622 13.407 23.433 1.00 8.58 C ATOM 1065 O GLY B 68 47.746 14.321 22.621 1.00 10.80 O ATOM 0 H GLY B 68 46.986 12.756 21.221 1.00 9.32 H new ATOM 0 HA2 GLY B 68 46.665 11.583 23.461 1.00 9.44 H new ATOM 0 HA3 GLY B 68 48.187 11.446 23.152 1.00 9.44 H new ATOM 1066 N ILE B 69 47.591 13.592 24.744 1.00 9.63 N ATOM 1067 CA ILE B 69 47.775 14.939 25.341 1.00 9.47 C ATOM 1068 C ILE B 69 49.084 14.893 26.099 1.00 10.37 C ATOM 1069 O ILE B 69 49.172 14.345 27.211 1.00 10.49 O ATOM 1070 CB ILE B 69 46.652 15.360 26.251 1.00 9.42 C ATOM 1071 CG1 ILE B 69 45.279 15.061 25.639 1.00 10.31 C ATOM 1072 CG2 ILE B 69 46.804 16.840 26.604 1.00 10.94 C ATOM 1073 CD1 ILE B 69 44.119 15.431 26.587 1.00 12.19 C ATOM 0 H ILE B 69 47.466 12.962 25.316 1.00 9.63 H new ATOM 0 HA ILE B 69 47.780 15.602 24.633 1.00 9.47 H new ATOM 0 HB ILE B 69 46.705 14.839 27.067 1.00 9.42 H new ATOM 0 HG12 ILE B 69 45.184 15.553 24.808 1.00 10.31 H new ATOM 0 HG13 ILE B 69 45.225 14.118 25.418 1.00 10.31 H new ATOM 0 HG21 ILE B 69 46.080 17.109 27.190 1.00 10.94 H new ATOM 0 HG22 ILE B 69 47.652 16.980 27.053 1.00 10.94 H new ATOM 0 HG23 ILE B 69 46.777 17.371 25.793 1.00 10.94 H new ATOM 0 HD11 ILE B 69 43.273 15.225 26.159 1.00 12.19 H new ATOM 0 HD12 ILE B 69 44.198 14.922 27.409 1.00 12.19 H new ATOM 0 HD13 ILE B 69 44.156 16.379 26.790 1.00 12.19 H new ATOM 1074 N GLN B 70 50.135 15.460 25.508 1.00 9.49 N ATOM 1075 CA GLN B 70 51.455 15.499 26.138 1.00 10.90 C ATOM 1076 C GLN B 70 51.380 16.580 27.183 1.00 10.90 C ATOM 1077 O GLN B 70 51.256 17.770 26.864 1.00 9.63 O ATOM 1078 CB GLN B 70 52.508 15.789 25.093 1.00 14.62 C ATOM 1079 CG GLN B 70 53.943 15.896 25.604 1.00 17.00 C ATOM 1080 CD GLN B 70 54.955 16.022 24.465 1.00 22.46 C ATOM 1081 OE1 GLN B 70 54.868 15.315 23.446 1.00 25.61 O ATOM 1082 NE2 GLN B 70 55.927 16.902 24.641 1.00 26.25 N ATOM 0 H GLN B 70 50.103 15.832 24.733 1.00 9.49 H new ATOM 0 HA GLN B 70 51.699 14.654 26.547 1.00 10.90 H new ATOM 0 HB2 GLN B 70 52.473 15.090 24.421 1.00 14.62 H new ATOM 0 HB3 GLN B 70 52.278 16.620 24.649 1.00 14.62 H new ATOM 0 HG2 GLN B 70 54.020 16.666 26.189 1.00 17.00 H new ATOM 0 HG3 GLN B 70 54.154 15.113 26.137 1.00 17.00 H new ATOM 0 HE21 GLN B 70 55.955 17.374 25.359 1.00 26.25 H new ATOM 0 HE22 GLN B 70 56.531 17.002 24.037 1.00 26.25 H new ATOM 1083 N THR B 71 51.386 16.144 28.425 1.00 10.50 N ATOM 1084 CA THR B 71 51.036 16.976 29.559 1.00 10.40 C ATOM 1085 C THR B 71 52.222 17.234 30.466 1.00 11.72 C ATOM 1086 O THR B 71 52.975 16.330 30.782 1.00 13.24 O ATOM 1087 CB THR B 71 49.900 16.295 30.352 1.00 11.79 C ATOM 1088 OG1 THR B 71 48.773 16.130 29.481 1.00 13.10 O ATOM 1089 CG2 THR B 71 49.436 17.097 31.549 1.00 11.90 C ATOM 0 H THR B 71 51.598 15.339 28.640 1.00 10.50 H new ATOM 0 HA THR B 71 50.742 17.837 29.223 1.00 10.40 H new ATOM 0 HB THR B 71 50.251 15.452 30.678 1.00 11.79 H new ATOM 0 HG1 THR B 71 48.952 15.553 28.898 1.00 13.10 H new ATOM 0 HG21 THR B 71 48.725 16.619 32.003 1.00 11.90 H new ATOM 0 HG22 THR B 71 50.179 17.227 32.159 1.00 11.90 H new ATOM 0 HG23 THR B 71 49.107 17.960 31.253 1.00 11.90 H new ATOM 1090 N THR B 72 52.377 18.497 30.827 1.00 10.05 N ATOM 1091 CA THR B 72 53.325 18.913 31.838 1.00 10.24 C ATOM 1092 C THR B 72 52.575 19.684 32.900 1.00 9.93 C ATOM 1093 O THR B 72 51.943 20.707 32.623 1.00 10.91 O ATOM 1094 CB THR B 72 54.418 19.801 31.220 1.00 11.58 C ATOM 1095 OG1 THR B 72 54.978 19.137 30.074 1.00 13.26 O ATOM 1096 CG2 THR B 72 55.528 20.098 32.255 1.00 13.51 C ATOM 0 H THR B 72 51.927 19.145 30.485 1.00 10.05 H new ATOM 0 HA THR B 72 53.754 18.134 32.225 1.00 10.24 H new ATOM 0 HB THR B 72 54.023 20.644 30.947 1.00 11.58 H new ATOM 0 HG1 THR B 72 54.470 19.241 29.413 1.00 13.26 H new ATOM 0 HG21 THR B 72 56.208 20.658 31.849 1.00 13.51 H new ATOM 0 HG22 THR B 72 55.144 20.558 33.018 1.00 13.51 H new ATOM 0 HG23 THR B 72 55.929 19.265 32.548 1.00 13.51 H new ATOM 1097 N LEU B 73 52.664 19.233 34.138 1.00 9.28 N ATOM 1098 CA LEU B 73 51.989 19.857 35.263 1.00 9.64 C ATOM 1099 C LEU B 73 53.017 20.173 36.332 1.00 8.98 C ATOM 1100 O LEU B 73 53.670 19.242 36.840 1.00 10.24 O ATOM 1101 CB LEU B 73 50.869 18.943 35.804 1.00 10.35 C ATOM 1102 CG LEU B 73 50.125 19.397 37.044 1.00 11.31 C ATOM 1103 CD1 LEU B 73 49.647 20.851 36.898 1.00 12.29 C ATOM 1104 CD2 LEU B 73 48.921 18.445 37.299 1.00 12.84 C ATOM 0 H LEU B 73 53.128 18.542 34.354 1.00 9.28 H new ATOM 0 HA LEU B 73 51.566 20.682 34.978 1.00 9.64 H new ATOM 0 HB2 LEU B 73 50.219 18.817 35.095 1.00 10.35 H new ATOM 0 HB3 LEU B 73 51.257 18.074 35.991 1.00 10.35 H new ATOM 0 HG LEU B 73 50.727 19.362 37.804 1.00 11.31 H new ATOM 0 HD11 LEU B 73 49.175 21.119 37.702 1.00 12.29 H new ATOM 0 HD12 LEU B 73 50.412 21.432 36.765 1.00 12.29 H new ATOM 0 HD13 LEU B 73 49.052 20.921 36.135 1.00 12.29 H new ATOM 0 HD21 LEU B 73 48.443 18.733 38.092 1.00 12.84 H new ATOM 0 HD22 LEU B 73 48.323 18.467 36.535 1.00 12.84 H new ATOM 0 HD23 LEU B 73 49.245 17.540 37.428 1.00 12.84 H new ATOM 1105 N THR B 74 53.191 21.459 36.611 1.00 10.07 N ATOM 1106 CA THR B 74 54.178 21.942 37.571 1.00 10.05 C ATOM 1107 C THR B 74 53.427 22.456 38.775 1.00 9.61 C ATOM 1108 O THR B 74 52.546 23.324 38.660 1.00 10.20 O ATOM 1109 CB THR B 74 55.002 23.053 36.980 1.00 11.30 C ATOM 1110 OG1 THR B 74 55.639 22.565 35.790 1.00 12.89 O ATOM 1111 CG2 THR B 74 56.076 23.539 38.006 1.00 12.05 C ATOM 0 H THR B 74 52.732 22.086 36.243 1.00 10.07 H new ATOM 0 HA THR B 74 54.781 21.222 37.815 1.00 10.05 H new ATOM 0 HB THR B 74 54.430 23.806 36.764 1.00 11.30 H new ATOM 0 HG1 THR B 74 55.134 22.690 35.130 1.00 12.89 H new ATOM 0 HG21 THR B 74 56.599 24.254 37.612 1.00 12.05 H new ATOM 0 HG22 THR B 74 55.635 23.864 38.807 1.00 12.05 H new ATOM 0 HG23 THR B 74 56.661 22.800 38.237 1.00 12.05 H new ATOM 1112 N LEU B 75 53.762 21.907 39.935 1.00 9.03 N ATOM 1113 CA LEU B 75 53.185 22.278 41.212 1.00 10.03 C ATOM 1114 C LEU B 75 54.230 23.022 42.051 1.00 10.61 C ATOM 1115 O LEU B 75 55.385 22.564 42.154 1.00 11.15 O ATOM 1116 CB LEU B 75 52.752 21.051 42.025 1.00 10.76 C ATOM 1117 CG LEU B 75 51.821 20.093 41.356 1.00 11.32 C ATOM 1118 CD1 LEU B 75 51.406 18.934 42.330 1.00 12.06 C ATOM 1119 CD2 LEU B 75 50.524 20.725 40.732 1.00 11.85 C ATOM 0 H LEU B 75 54.353 21.286 39.999 1.00 9.03 H new ATOM 0 HA LEU B 75 52.411 22.831 41.022 1.00 10.03 H new ATOM 0 HB2 LEU B 75 53.550 20.565 42.286 1.00 10.76 H new ATOM 0 HB3 LEU B 75 52.330 21.363 42.841 1.00 10.76 H new ATOM 0 HG LEU B 75 52.339 19.754 40.610 1.00 11.32 H new ATOM 0 HD11 LEU B 75 50.803 18.327 41.873 1.00 12.06 H new ATOM 0 HD12 LEU B 75 52.198 18.450 42.613 1.00 12.06 H new ATOM 0 HD13 LEU B 75 50.961 19.308 43.107 1.00 12.06 H new ATOM 0 HD21 LEU B 75 49.988 20.027 40.324 1.00 11.85 H new ATOM 0 HD22 LEU B 75 50.009 21.162 41.429 1.00 11.85 H new ATOM 0 HD23 LEU B 75 50.773 21.376 40.058 1.00 11.85 H new ATOM 1120 N GLN B 76 53.808 24.079 42.733 1.00 10.48 N ATOM 1121 CA GLN B 76 54.640 24.781 43.688 1.00 9.79 C ATOM 1122 C GLN B 76 54.126 24.598 45.104 1.00 10.88 C ATOM 1123 O GLN B 76 52.937 24.405 45.338 1.00 10.81 O ATOM 1124 CB GLN B 76 54.686 26.284 43.385 1.00 11.64 C ATOM 1125 CG GLN B 76 55.074 26.689 41.969 1.00 13.80 C ATOM 1126 CD GLN B 76 56.480 26.288 41.566 1.00 16.63 C ATOM 1127 OE1 GLN B 76 57.353 26.035 42.418 1.00 17.58 O ATOM 1128 NE2 GLN B 76 56.721 26.257 40.219 1.00 18.22 N ATOM 0 H GLN B 76 53.019 24.410 42.650 1.00 10.48 H new ATOM 0 HA GLN B 76 55.530 24.404 43.611 1.00 9.79 H new ATOM 0 HB2 GLN B 76 53.812 26.658 43.577 1.00 11.64 H new ATOM 0 HB3 GLN B 76 55.312 26.697 44.000 1.00 11.64 H new ATOM 0 HG2 GLN B 76 54.445 26.291 41.347 1.00 13.80 H new ATOM 0 HG3 GLN B 76 54.987 27.651 41.884 1.00 13.80 H new ATOM 0 HE21 GLN B 76 56.089 26.439 39.665 1.00 18.22 H new ATOM 0 HE22 GLN B 76 57.504 26.056 39.927 1.00 18.22 H new ATOM 1129 N ALA B 77 55.041 24.803 46.057 1.00 10.26 N ATOM 1130 CA ALA B 77 54.736 24.693 47.484 1.00 10.61 C ATOM 1131 C ALA B 77 53.649 25.612 47.951 1.00 11.68 C ATOM 1132 O ALA B 77 52.954 25.295 48.922 1.00 12.54 O ATOM 1133 CB ALA B 77 56.006 24.910 48.309 1.00 10.18 C ATOM 0 H ALA B 77 55.859 25.011 45.891 1.00 10.26 H new ATOM 0 HA ALA B 77 54.397 23.794 47.618 1.00 10.61 H new ATOM 0 HB1 ALA B 77 55.796 24.836 49.253 1.00 10.18 H new ATOM 0 HB2 ALA B 77 56.665 24.239 48.071 1.00 10.18 H new ATOM 0 HB3 ALA B 77 56.364 25.793 48.127 1.00 10.18 H new ATOM 1134 N ASP B 78 53.497 26.766 47.295 1.00 11.28 N ATOM 1135 CA ASP B 78 52.451 27.726 47.616 1.00 9.86 C ATOM 1136 C ASP B 78 51.066 27.409 47.020 1.00 10.75 C ATOM 1137 O ASP B 78 50.163 28.260 47.038 1.00 10.99 O ATOM 1138 CB ASP B 78 52.931 29.147 47.224 1.00 9.77 C ATOM 1139 CG ASP B 78 53.033 29.372 45.728 1.00 9.69 C ATOM 1140 OD1 ASP B 78 52.668 28.477 44.945 1.00 10.84 O ATOM 1141 OD2 ASP B 78 53.470 30.514 45.386 1.00 11.45 O ATOM 0 H ASP B 78 54.006 27.011 46.646 1.00 11.28 H new ATOM 0 HA ASP B 78 52.307 27.669 48.574 1.00 9.86 H new ATOM 0 HB2 ASP B 78 52.320 29.800 47.599 1.00 9.77 H new ATOM 0 HB3 ASP B 78 53.799 29.308 47.626 1.00 9.77 H new ATOM 1142 N ASN B 79 50.891 26.193 46.502 1.00 10.98 N ATOM 1143 CA ASN B 79 49.659 25.720 45.930 1.00 12.59 C ATOM 1144 C ASN B 79 49.281 26.401 44.645 1.00 13.69 C ATOM 1145 O ASN B 79 48.095 26.519 44.311 1.00 16.53 O ATOM 1146 CB ASN B 79 48.507 25.721 46.928 1.00 13.07 C ATOM 1147 CG ASN B 79 48.713 24.746 48.056 1.00 14.14 C ATOM 1148 OD1 ASN B 79 49.528 23.829 48.004 1.00 14.77 O ATOM 1149 ND2 ASN B 79 47.914 24.920 49.111 1.00 17.23 N ATOM 0 H ASN B 79 51.520 25.606 46.479 1.00 10.98 H new ATOM 0 HA ASN B 79 49.837 24.795 45.697 1.00 12.59 H new ATOM 0 HB2 ASN B 79 48.401 26.614 47.293 1.00 13.07 H new ATOM 0 HB3 ASN B 79 47.683 25.504 46.465 1.00 13.07 H new ATOM 0 HD21 ASN B 79 47.961 24.381 49.780 1.00 17.23 H new ATOM 0 HD22 ASN B 79 47.352 25.571 49.122 1.00 17.23 H new ATOM 1150 N SER B 80 50.268 26.904 43.921 1.00 11.82 N ATOM 1151 CA SER B 80 50.065 27.361 42.566 1.00 13.12 C ATOM 1152 C SER B 80 50.568 26.271 41.609 1.00 10.66 C ATOM 1153 O SER B 80 51.359 25.396 41.973 1.00 11.28 O ATOM 1154 CB SER B 80 50.733 28.711 42.329 1.00 14.41 C ATOM 1155 OG SER B 80 52.136 28.619 42.331 1.00 16.43 O ATOM 0 H SER B 80 51.075 26.989 44.206 1.00 11.82 H new ATOM 0 HA SER B 80 49.121 27.508 42.400 1.00 13.12 H new ATOM 0 HB2 SER B 80 50.436 29.072 41.479 1.00 14.41 H new ATOM 0 HB3 SER B 80 50.451 29.334 43.016 1.00 14.41 H new ATOM 0 HG SER B 80 52.413 28.569 43.123 1.00 16.43 H new ATOM 1156 N PHE B 81 50.090 26.349 40.377 1.00 10.04 N ATOM 1157 CA PHE B 81 50.451 25.402 39.343 1.00 10.56 C ATOM 1158 C PHE B 81 50.463 26.019 37.964 1.00 10.67 C ATOM 1159 O PHE B 81 49.875 27.106 37.718 1.00 10.27 O ATOM 1160 CB PHE B 81 49.475 24.206 39.303 1.00 10.27 C ATOM 1161 CG PHE B 81 48.168 24.538 38.641 1.00 10.07 C ATOM 1162 CD1 PHE B 81 47.189 25.230 39.335 1.00 9.84 C ATOM 1163 CD2 PHE B 81 47.983 24.283 37.300 1.00 9.78 C ATOM 1164 CE1 PHE B 81 46.014 25.632 38.703 1.00 11.75 C ATOM 1165 CE2 PHE B 81 46.804 24.666 36.654 1.00 10.67 C ATOM 1166 CZ PHE B 81 45.836 25.326 37.340 1.00 11.57 C ATOM 0 H PHE B 81 49.542 26.959 40.117 1.00 10.04 H new ATOM 0 HA PHE B 81 51.346 25.107 39.573 1.00 10.56 H new ATOM 0 HB2 PHE B 81 49.893 23.469 38.831 1.00 10.27 H new ATOM 0 HB3 PHE B 81 49.305 23.903 40.209 1.00 10.27 H new ATOM 0 HD1 PHE B 81 47.318 25.429 40.234 1.00 9.84 H new ATOM 0 HD2 PHE B 81 48.651 23.851 36.818 1.00 9.78 H new ATOM 0 HE1 PHE B 81 45.358 26.095 39.173 1.00 11.75 H new ATOM 0 HE2 PHE B 81 46.683 24.468 35.753 1.00 10.67 H new ATOM 0 HZ PHE B 81 45.052 25.577 36.908 1.00 11.57 H new ATOM 1167 N AGLU B 82 51.180 25.344 37.066 0.50 9.69 N ATOM 1168 N BGLU B 82 51.186 25.358 37.066 0.50 10.19 N ATOM 1169 CA AGLU B 82 51.169 25.620 35.636 0.50 10.60 C ATOM 1170 CA BGLU B 82 51.098 25.634 35.643 0.50 11.46 C ATOM 1171 C AGLU B 82 50.912 24.309 34.903 0.50 11.22 C ATOM 1172 C BGLU B 82 50.857 24.294 34.960 0.50 11.46 C ATOM 1173 O AGLU B 82 51.664 23.343 35.058 0.50 11.22 O ATOM 1174 O BGLU B 82 51.499 23.281 35.259 0.50 10.64 O ATOM 1175 CB AGLU B 82 52.498 26.208 35.170 0.50 13.29 C ATOM 1176 CB BGLU B 82 52.337 26.364 35.112 0.50 14.78 C ATOM 1177 CG AGLU B 82 52.741 27.645 35.562 0.50 15.82 C ATOM 1178 CG BGLU B 82 52.084 27.148 33.795 0.50 18.22 C ATOM 1179 CD AGLU B 82 53.883 28.284 34.757 0.50 18.67 C ATOM 1180 CD BGLU B 82 52.734 26.546 32.573 0.50 20.65 C ATOM 1181 OE1AGLU B 82 54.338 27.668 33.744 0.50 21.45 O ATOM 1182 OE1BGLU B 82 53.950 26.213 32.706 0.50 23.35 O ATOM 1183 OE2AGLU B 82 54.266 29.426 35.110 0.50 21.30 O ATOM 1184 OE2BGLU B 82 52.050 26.464 31.485 0.50 19.58 O ATOM 0 H AGLU B 82 51.701 24.694 37.282 0.50 10.19 H new ATOM 0 H BGLU B 82 51.743 24.735 37.269 0.50 10.19 H new ATOM 0 HA AGLU B 82 50.475 26.270 35.445 0.50 11.46 H new ATOM 0 HA BGLU B 82 50.368 26.244 35.453 0.50 11.46 H new ATOM 0 HB2AGLU B 82 53.218 25.665 35.527 0.50 14.78 H new ATOM 0 HB2BGLU B 82 52.654 26.981 35.790 0.50 14.78 H new ATOM 0 HB3AGLU B 82 52.544 26.140 34.203 0.50 14.78 H new ATOM 0 HB3BGLU B 82 53.044 25.717 34.963 0.50 14.78 H new ATOM 0 HG2AGLU B 82 51.928 28.157 35.428 0.50 18.22 H new ATOM 0 HG2BGLU B 82 51.127 27.204 33.644 0.50 18.22 H new ATOM 0 HG3AGLU B 82 52.951 27.689 36.508 0.50 18.22 H new ATOM 0 HG3BGLU B 82 52.407 28.056 33.905 0.50 18.22 H new ATOM 1185 N LEU B 83 49.868 24.281 34.088 1.00 11.37 N ATOM 1186 CA LEU B 83 49.521 23.098 33.300 1.00 11.71 C ATOM 1187 C LEU B 83 49.735 23.425 31.837 1.00 11.64 C ATOM 1188 O LEU B 83 49.268 24.448 31.375 1.00 12.39 O ATOM 1189 CB LEU B 83 48.081 22.682 33.564 1.00 11.76 C ATOM 1190 CG LEU B 83 47.520 21.507 32.743 1.00 12.72 C ATOM 1191 CD1 LEU B 83 48.146 20.211 33.037 1.00 14.30 C ATOM 1192 CD2 LEU B 83 45.932 21.413 32.959 1.00 15.84 C ATOM 0 H ALEU B 83 49.337 24.947 33.973 0.50 11.37 H new ATOM 0 H BLEU B 83 49.369 24.963 33.929 0.50 11.37 H new ATOM 0 HA LEU B 83 50.086 22.351 33.553 1.00 11.71 H new ATOM 0 HB2 LEU B 83 48.002 22.455 34.504 1.00 11.76 H new ATOM 0 HB3 LEU B 83 47.513 23.453 33.410 1.00 11.76 H new ATOM 0 HG LEU B 83 47.732 21.697 31.816 1.00 12.72 H new ATOM 0 HD11 LEU B 83 47.742 19.524 32.484 1.00 14.30 H new ATOM 0 HD12 LEU B 83 49.096 20.260 32.849 1.00 14.30 H new ATOM 0 HD13 LEU B 83 48.013 19.992 33.973 1.00 14.30 H new ATOM 0 HD21 LEU B 83 45.578 20.673 32.442 1.00 15.84 H new ATOM 0 HD22 LEU B 83 45.741 21.270 33.899 1.00 15.84 H new ATOM 0 HD23 LEU B 83 45.516 22.239 32.667 1.00 15.84 H new ATOM 1193 N ALYS B 84 50.469 22.575 31.131 0.60 11.63 N ATOM 1194 N BLYS B 84 50.473 22.571 31.128 0.40 11.18 N ATOM 1195 CA ALYS B 84 50.614 22.700 29.684 0.60 12.18 C ATOM 1196 CA BLYS B 84 50.642 22.693 29.674 0.40 11.21 C ATOM 1197 C ALYS B 84 50.135 21.377 29.087 0.60 10.46 C ATOM 1198 C BLYS B 84 50.211 21.384 29.014 0.40 10.16 C ATOM 1199 O ALYS B 84 50.541 20.291 29.502 0.60 11.75 O ATOM 1200 O BLYS B 84 50.776 20.317 29.279 0.40 10.76 O ATOM 1201 CB ALYS B 84 52.060 23.005 29.297 0.60 13.60 C ATOM 1202 CB BLYS B 84 52.087 23.014 29.290 0.40 11.76 C ATOM 1203 CG ALYS B 84 52.292 23.216 27.809 0.60 15.65 C ATOM 1204 CG BLYS B 84 52.348 22.855 27.798 0.40 12.78 C ATOM 1205 CD ALYS B 84 53.795 23.490 27.515 0.60 17.95 C ATOM 1206 CD BLYS B 84 53.767 23.320 27.365 0.40 14.21 C ATOM 1207 CE ALYS B 84 54.114 23.458 26.021 0.60 19.32 C ATOM 1208 CE BLYS B 84 54.891 22.368 27.781 0.40 14.84 C ATOM 1209 NZ ALYS B 84 55.596 23.586 25.723 0.60 20.61 N ATOM 1210 NZ BLYS B 84 56.235 23.062 27.644 0.40 15.58 N ATOM 0 H ALYS B 84 50.896 21.912 31.474 0.60 11.18 H new ATOM 0 H BLYS B 84 50.891 21.904 31.474 0.40 11.18 H new ATOM 0 HA ALYS B 84 50.088 23.440 29.342 0.60 11.21 H new ATOM 0 HA BLYS B 84 50.090 23.428 29.365 0.40 11.21 H new ATOM 0 HB2ALYS B 84 52.348 23.800 29.772 0.60 11.76 H new ATOM 0 HB2BLYS B 84 52.294 23.924 29.556 0.40 11.76 H new ATOM 0 HB3ALYS B 84 52.623 22.275 29.599 0.60 11.76 H new ATOM 0 HB3BLYS B 84 52.686 22.432 29.783 0.40 11.76 H new ATOM 0 HG2ALYS B 84 52.000 22.432 27.318 0.60 12.78 H new ATOM 0 HG2BLYS B 84 52.232 21.923 27.554 0.40 12.78 H new ATOM 0 HG3ALYS B 84 51.756 23.962 27.497 0.60 12.78 H new ATOM 0 HG3BLYS B 84 51.684 23.362 27.305 0.40 12.78 H new ATOM 0 HD2ALYS B 84 54.040 24.356 27.876 0.60 14.21 H new ATOM 0 HD2BLYS B 84 53.783 23.422 26.401 0.40 14.21 H new ATOM 0 HD3ALYS B 84 54.337 22.828 27.973 0.60 14.21 H new ATOM 0 HD3BLYS B 84 53.940 24.195 27.746 0.40 14.21 H new ATOM 0 HE2ALYS B 84 53.785 22.627 25.644 0.60 14.84 H new ATOM 0 HE2BLYS B 84 54.759 22.080 28.698 0.40 14.84 H new ATOM 0 HE3ALYS B 84 53.638 24.178 25.579 0.60 14.84 H new ATOM 0 HE3BLYS B 84 54.872 21.571 27.228 0.40 14.84 H new ATOM 0 HZ1ALYS B 84 55.725 23.562 24.843 0.60 15.58 H new ATOM 0 HZ1BLYS B 84 56.884 22.504 27.887 0.40 15.58 H new ATOM 0 HZ2ALYS B 84 55.898 24.358 26.046 0.60 15.58 H new ATOM 0 HZ2BLYS B 84 56.357 23.308 26.797 0.40 15.58 H new ATOM 0 HZ3ALYS B 84 56.035 22.913 26.106 0.60 15.58 H new ATOM 0 HZ3BLYS B 84 56.252 23.782 28.167 0.40 15.58 H new ATOM 1211 N SER B 85 49.225 21.481 28.125 1.00 10.16 N ATOM 1212 CA SER B 85 48.653 20.335 27.471 1.00 10.28 C ATOM 1213 C SER B 85 48.855 20.498 25.983 1.00 10.97 C ATOM 1214 O SER B 85 48.299 21.429 25.372 1.00 10.74 O ATOM 1215 CB SER B 85 47.147 20.295 27.747 1.00 11.67 C ATOM 1216 OG SER B 85 46.890 20.096 29.155 1.00 12.69 O ATOM 0 H ASER B 85 48.924 22.233 27.837 0.60 10.16 H new ATOM 0 H BSER B 85 48.872 22.229 27.889 0.40 10.16 H new ATOM 0 HA SER B 85 49.071 19.522 27.795 1.00 10.28 H new ATOM 0 HB2 SER B 85 46.738 21.124 27.453 1.00 11.67 H new ATOM 0 HB3 SER B 85 46.739 19.580 27.235 1.00 11.67 H new ATOM 0 HG SER B 85 46.806 19.275 29.311 1.00 12.69 H new ATOM 1217 N ILE B 86 49.616 19.603 25.373 1.00 10.05 N ATOM 1218 CA ILE B 86 49.892 19.647 23.943 1.00 10.53 C ATOM 1219 C ILE B 86 49.063 18.562 23.305 1.00 9.11 C ATOM 1220 O ILE B 86 49.281 17.379 23.592 1.00 9.05 O ATOM 1221 CB ILE B 86 51.385 19.473 23.595 1.00 11.50 C ATOM 1222 CG1 ILE B 86 52.218 20.546 24.299 1.00 12.69 C ATOM 1223 CG2 ILE B 86 51.536 19.444 22.052 1.00 12.30 C ATOM 1224 CD1 ILE B 86 53.752 20.345 24.168 1.00 15.36 C ATOM 0 H ILE B 86 49.992 18.945 25.780 1.00 10.05 H new ATOM 0 HA ILE B 86 49.660 20.526 23.604 1.00 10.53 H new ATOM 0 HB ILE B 86 51.731 18.628 23.924 1.00 11.50 H new ATOM 0 HG12 ILE B 86 51.983 21.414 23.936 1.00 12.69 H new ATOM 0 HG13 ILE B 86 51.982 20.559 25.240 1.00 12.69 H new ATOM 0 HG21 ILE B 86 52.472 19.335 21.820 1.00 12.30 H new ATOM 0 HG22 ILE B 86 51.025 18.703 21.691 1.00 12.30 H new ATOM 0 HG23 ILE B 86 51.206 20.276 21.679 1.00 12.30 H new ATOM 0 HD11 ILE B 86 54.213 21.059 24.636 1.00 15.36 H new ATOM 0 HD12 ILE B 86 54.001 19.491 24.555 1.00 15.36 H new ATOM 0 HD13 ILE B 86 54.002 20.360 23.231 1.00 15.36 H new ATOM 1225 N TYR B 87 48.114 18.954 22.465 1.00 8.91 N ATOM 1226 CA TYR B 87 47.273 17.996 21.775 1.00 9.50 C ATOM 1227 C TYR B 87 48.036 17.554 20.534 1.00 10.87 C ATOM 1228 O TYR B 87 48.163 18.300 19.570 1.00 12.87 O ATOM 1229 CB TYR B 87 45.943 18.648 21.430 1.00 10.26 C ATOM 1230 CG TYR B 87 45.150 18.947 22.690 1.00 12.52 C ATOM 1231 CD1 TYR B 87 45.323 20.121 23.413 1.00 15.81 C ATOM 1232 CD2 TYR B 87 44.262 17.994 23.204 1.00 14.30 C ATOM 1233 CE1 TYR B 87 44.624 20.309 24.597 1.00 16.56 C ATOM 1234 CE2 TYR B 87 43.561 18.213 24.390 1.00 16.85 C ATOM 1235 CZ TYR B 87 43.770 19.357 25.061 1.00 17.28 C ATOM 1236 OH TYR B 87 43.064 19.523 26.251 1.00 21.65 O ATOM 0 H TYR B 87 47.942 19.777 22.282 1.00 8.91 H new ATOM 0 HA TYR B 87 47.073 17.221 22.323 1.00 9.50 H new ATOM 0 HB2 TYR B 87 46.098 19.469 20.937 1.00 10.26 H new ATOM 0 HB3 TYR B 87 45.431 18.062 20.851 1.00 10.26 H new ATOM 0 HD1 TYR B 87 45.905 20.778 23.105 1.00 15.81 H new ATOM 0 HD2 TYR B 87 44.137 17.196 22.744 1.00 14.30 H new ATOM 0 HE1 TYR B 87 44.741 21.096 25.079 1.00 16.56 H new ATOM 0 HE2 TYR B 87 42.961 17.579 24.710 1.00 16.85 H new ATOM 0 HH TYR B 87 42.585 18.847 26.389 1.00 21.65 H new ATOM 1237 N LEU B 88 48.489 16.331 20.556 1.00 9.61 N ATOM 1238 CA LEU B 88 49.398 15.819 19.539 1.00 10.26 C ATOM 1239 C LEU B 88 48.659 15.650 18.221 1.00 10.31 C ATOM 1240 O LEU B 88 47.523 15.164 18.174 1.00 10.37 O ATOM 1241 CB LEU B 88 49.994 14.499 19.981 1.00 11.19 C ATOM 1242 CG LEU B 88 50.871 14.593 21.245 1.00 12.49 C ATOM 1243 CD1 LEU B 88 51.208 13.191 21.759 1.00 14.67 C ATOM 1244 CD2 LEU B 88 52.156 15.409 20.996 1.00 14.35 C ATOM 0 H LEU B 88 48.283 15.758 21.163 1.00 9.61 H new ATOM 0 HA LEU B 88 50.120 16.455 19.415 1.00 10.26 H new ATOM 0 HB2 LEU B 88 49.274 13.870 20.145 1.00 11.19 H new ATOM 0 HB3 LEU B 88 50.527 14.138 19.256 1.00 11.19 H new ATOM 0 HG LEU B 88 50.362 15.064 21.924 1.00 12.49 H new ATOM 0 HD11 LEU B 88 51.760 13.261 22.554 1.00 14.67 H new ATOM 0 HD12 LEU B 88 50.388 12.720 21.976 1.00 14.67 H new ATOM 0 HD13 LEU B 88 51.690 12.702 21.074 1.00 14.67 H new ATOM 0 HD21 LEU B 88 52.680 15.445 21.812 1.00 14.35 H new ATOM 0 HD22 LEU B 88 52.678 14.986 20.296 1.00 14.35 H new ATOM 0 HD23 LEU B 88 51.920 16.309 20.723 1.00 14.35 H new ATOM 1245 N GLY B 89 49.321 16.014 17.130 1.00 10.92 N ATOM 1246 CA GLY B 89 48.786 15.931 15.778 1.00 11.06 C ATOM 1247 C GLY B 89 49.724 16.683 14.828 1.00 11.40 C ATOM 1248 O GLY B 89 50.786 17.144 15.251 1.00 12.92 O ATOM 0 H GLY B 89 50.122 16.327 17.158 1.00 10.92 H new ATOM 0 HA2 GLY B 89 48.705 15.004 15.505 1.00 11.06 H new ATOM 0 HA3 GLY B 89 47.896 16.315 15.745 1.00 11.06 H new ATOM 1249 N LYS B 90 49.284 16.922 13.595 1.00 12.46 N ATOM 1250 CA LYS B 90 50.158 17.604 12.643 1.00 14.95 C ATOM 1251 C LYS B 90 50.359 19.089 12.947 1.00 16.15 C ATOM 1252 O LYS B 90 51.463 19.617 12.710 1.00 18.46 O ATOM 1253 CB LYS B 90 49.662 17.382 11.214 1.00 17.11 C ATOM 1254 CG LYS B 90 49.780 15.914 10.788 1.00 19.96 C ATOM 1255 CD LYS B 90 49.549 15.715 9.275 1.00 22.42 C ATOM 1256 CE LYS B 90 49.656 14.243 8.846 1.00 23.71 C ATOM 1257 NZ LYS B 90 49.302 13.994 7.408 1.00 24.80 N ATOM 0 H LYS B 90 48.507 16.705 13.296 1.00 12.46 H new ATOM 0 HA LYS B 90 51.037 17.205 12.737 1.00 14.95 H new ATOM 0 HB2 LYS B 90 48.737 17.664 11.146 1.00 17.11 H new ATOM 0 HB3 LYS B 90 50.174 17.937 10.605 1.00 17.11 H new ATOM 0 HG2 LYS B 90 50.660 15.582 11.024 1.00 19.96 H new ATOM 0 HG3 LYS B 90 49.135 15.384 11.283 1.00 19.96 H new ATOM 0 HD2 LYS B 90 48.671 16.054 9.039 1.00 22.42 H new ATOM 0 HD3 LYS B 90 50.198 16.240 8.781 1.00 22.42 H new ATOM 0 HE2 LYS B 90 50.562 13.936 9.003 1.00 23.71 H new ATOM 0 HE3 LYS B 90 49.074 13.709 9.409 1.00 23.71 H new ATOM 0 HZ1 LYS B 90 48.539 13.538 7.365 1.00 24.80 H new ATOM 0 HZ2 LYS B 90 49.206 14.772 6.987 1.00 24.80 H new ATOM 0 HZ3 LYS B 90 49.950 13.524 7.019 1.00 24.80 H new ATOM 1258 N AASP B 91 49.334 19.777 13.498 0.50 13.45 N ATOM 1259 N BASP B 91 49.371 19.762 13.503 0.50 16.79 N ATOM 1260 CA AASP B 91 49.425 21.240 13.851 0.50 12.57 C ATOM 1261 CA BASP B 91 49.569 21.174 13.761 0.50 17.98 C ATOM 1262 C AASP B 91 49.947 21.644 15.272 0.50 14.49 C ATOM 1263 C BASP B 91 49.588 21.461 15.245 0.50 19.28 C ATOM 1264 O AASP B 91 50.227 22.826 15.535 0.50 14.62 O ATOM 1265 O BASP B 91 49.639 22.617 15.706 0.50 20.89 O ATOM 1266 CB AASP B 91 48.048 21.939 13.637 0.50 11.21 C ATOM 1267 CB BASP B 91 48.515 21.897 12.954 0.50 18.45 C ATOM 1268 CG AASP B 91 47.053 21.665 14.778 0.50 9.64 C ATOM 1269 CG BASP B 91 48.773 21.714 11.487 0.50 18.40 C ATOM 1270 OD1AASP B 91 47.527 21.071 15.763 0.50 7.50 O ATOM 1271 OD1BASP B 91 49.754 22.316 11.013 0.50 18.85 O ATOM 1272 OD2AASP B 91 45.832 22.028 14.640 0.50 9.99 O ATOM 1273 OD2BASP B 91 48.065 20.922 10.824 0.50 19.07 O ATOM 0 H AASP B 91 48.572 19.423 13.680 0.50 16.79 H new ATOM 0 H BASP B 91 48.608 19.439 13.731 0.50 16.79 H new ATOM 0 HA AASP B 91 50.118 21.540 13.243 0.50 17.98 H new ATOM 0 HA BASP B 91 50.438 21.498 13.476 0.50 17.98 H new ATOM 0 HB2AASP B 91 48.185 22.896 13.557 0.50 18.45 H new ATOM 0 HB2BASP B 91 47.635 21.557 13.180 0.50 18.45 H new ATOM 0 HB3AASP B 91 47.664 21.636 12.799 0.50 18.45 H new ATOM 0 HB3BASP B 91 48.520 22.841 13.175 0.50 18.45 H new ATOM 1274 N AGLU B 92 50.104 20.680 16.160 0.50 13.64 N ATOM 1275 N BGLU B 92 49.755 20.374 15.972 0.50 18.02 N ATOM 1276 CA AGLU B 92 50.185 20.978 17.629 0.50 17.84 C ATOM 1277 CA BGLU B 92 49.416 20.355 17.387 0.50 18.12 C ATOM 1278 C AGLU B 92 49.413 22.226 18.196 0.50 16.75 C ATOM 1279 C BGLU B 92 48.921 21.699 17.855 0.50 17.76 C ATOM 1280 O AGLU B 92 49.577 23.380 17.776 0.50 16.73 O ATOM 1281 O BGLU B 92 49.293 22.766 17.345 0.50 19.73 O ATOM 1282 CB AGLU B 92 51.628 21.000 18.105 0.50 19.72 C ATOM 1283 CB BGLU B 92 50.581 19.825 18.250 0.50 17.76 C ATOM 1284 CG AGLU B 92 52.130 19.618 18.452 0.50 21.27 C ATOM 1285 CG BGLU B 92 50.876 18.423 17.730 0.50 19.26 C ATOM 1286 CD AGLU B 92 53.395 19.693 19.216 0.50 22.41 C ATOM 1287 CD BGLU B 92 52.198 17.753 18.077 0.50 18.66 C ATOM 1288 OE1AGLU B 92 53.729 20.821 19.617 0.50 24.57 O ATOM 1289 OE1BGLU B 92 53.066 18.375 18.730 0.50 20.45 O ATOM 1290 OE2AGLU B 92 54.035 18.641 19.446 0.50 24.17 O ATOM 1291 OE2BGLU B 92 52.359 16.563 17.655 0.50 18.30 O ATOM 0 H AGLU B 92 50.168 19.846 15.960 0.50 18.02 H new ATOM 0 H BGLU B 92 50.064 19.632 15.667 0.50 18.02 H new ATOM 0 HA AGLU B 92 49.689 20.232 18.002 0.50 18.12 H new ATOM 0 HA BGLU B 92 48.683 19.730 17.501 0.50 18.12 H new ATOM 0 HB2AGLU B 92 52.190 21.383 17.414 0.50 17.76 H new ATOM 0 HB2BGLU B 92 51.361 20.397 18.172 0.50 17.76 H new ATOM 0 HB3AGLU B 92 51.703 21.575 18.883 0.50 17.76 H new ATOM 0 HB3BGLU B 92 50.338 19.804 19.189 0.50 17.76 H new ATOM 0 HG2AGLU B 92 51.460 19.148 18.973 0.50 19.26 H new ATOM 0 HG2BGLU B 92 50.165 17.842 18.044 0.50 19.26 H new ATOM 0 HG3AGLU B 92 52.268 19.106 17.640 0.50 19.26 H new ATOM 0 HG3BGLU B 92 50.811 18.453 16.763 0.50 19.26 H new ATOM 1292 N ASER B 93 48.618 21.939 19.211 0.60 16.56 N ATOM 1293 N BSER B 93 48.051 21.624 18.870 0.40 16.39 N ATOM 1294 CA ASER B 93 47.650 22.839 19.712 0.60 12.72 C ATOM 1295 CA BSER B 93 47.604 22.796 19.618 0.40 14.25 C ATOM 1296 C ASER B 93 48.050 22.722 21.146 0.60 11.55 C ATOM 1297 C BSER B 93 48.124 22.724 21.081 0.40 12.67 C ATOM 1298 O ASER B 93 48.362 21.623 21.639 0.60 10.84 O ATOM 1299 O BSER B 93 48.517 21.646 21.544 0.40 12.01 O ATOM 1300 CB ASER B 93 46.280 22.278 19.405 0.60 12.50 C ATOM 1301 CB BSER B 93 46.096 22.850 19.590 0.40 15.05 C ATOM 1302 OG ASER B 93 46.010 22.394 18.014 0.60 11.85 O ATOM 1303 OG BSER B 93 45.537 21.639 20.040 0.40 15.03 O ATOM 0 H ASER B 93 48.641 21.188 19.629 0.60 16.39 H new ATOM 0 H BSER B 93 47.704 20.885 19.142 0.40 16.39 H new ATOM 0 HA ASER B 93 47.611 23.748 19.375 0.60 14.25 H new ATOM 0 HA BSER B 93 47.959 23.602 19.211 0.40 14.25 H new ATOM 0 HB2ASER B 93 46.235 21.347 19.675 0.60 15.05 H new ATOM 0 HB2BSER B 93 45.785 23.580 20.148 0.40 15.05 H new ATOM 0 HB3ASER B 93 45.605 22.754 19.914 0.60 15.05 H new ATOM 0 HB3BSER B 93 45.793 23.034 18.687 0.40 15.05 H new ATOM 0 HG ASER B 93 46.574 21.948 17.581 0.60 15.03 H new ATOM 0 HG BSER B 93 45.523 21.632 20.880 0.40 15.03 H new ATOM 1304 N ILE B 94 48.152 23.850 21.801 1.00 11.35 N ATOM 1305 CA ILE B 94 48.692 23.899 23.165 1.00 12.10 C ATOM 1306 C ILE B 94 47.753 24.679 24.048 1.00 12.81 C ATOM 1307 O ILE B 94 47.429 25.849 23.735 1.00 13.25 O ATOM 1308 CB ILE B 94 50.089 24.573 23.210 1.00 14.26 C ATOM 1309 CG1 ILE B 94 51.053 23.885 22.212 1.00 16.43 C ATOM 1310 CG2 ILE B 94 50.631 24.619 24.679 1.00 15.32 C ATOM 1311 CD1 ILE B 94 52.518 24.454 22.217 1.00 18.39 C ATOM 0 H AILE B 94 47.916 24.614 21.484 0.60 11.35 H new ATOM 0 H BILE B 94 47.859 24.606 21.513 0.40 11.35 H new ATOM 0 HA ILE B 94 48.782 22.985 23.478 1.00 12.10 H new ATOM 0 HB ILE B 94 50.015 25.496 22.923 1.00 14.26 H new ATOM 0 HG12 ILE B 94 51.086 22.937 22.415 1.00 16.43 H new ATOM 0 HG13 ILE B 94 50.688 23.971 21.317 1.00 16.43 H new ATOM 0 HG21 ILE B 94 51.504 25.043 24.689 1.00 15.32 H new ATOM 0 HG22 ILE B 94 50.019 25.127 25.234 1.00 15.32 H new ATOM 0 HG23 ILE B 94 50.707 23.716 25.025 1.00 15.32 H new ATOM 0 HD11 ILE B 94 53.055 23.972 21.568 1.00 18.39 H new ATOM 0 HD12 ILE B 94 52.500 25.396 21.986 1.00 18.39 H new ATOM 0 HD13 ILE B 94 52.904 24.346 23.100 1.00 18.39 H new ATOM 1312 N PHE B 95 47.300 24.042 25.133 1.00 10.35 N ATOM 1313 CA PHE B 95 46.460 24.695 26.141 1.00 12.10 C ATOM 1314 C PHE B 95 47.281 24.949 27.411 1.00 10.34 C ATOM 1315 O PHE B 95 47.920 24.031 27.854 1.00 11.66 O ATOM 1316 CB PHE B 95 45.275 23.805 26.428 1.00 14.63 C ATOM 1317 CG PHE B 95 44.330 24.369 27.420 1.00 19.84 C ATOM 1318 CD1 PHE B 95 43.684 25.549 27.181 1.00 22.09 C ATOM 1319 CD2 PHE B 95 44.152 23.719 28.640 1.00 23.33 C ATOM 1320 CE1 PHE B 95 42.796 26.086 28.111 1.00 23.76 C ATOM 1321 CE2 PHE B 95 43.307 24.245 29.602 1.00 25.26 C ATOM 1322 CZ PHE B 95 42.603 25.418 29.318 1.00 24.70 C ATOM 0 H PHE B 95 47.472 23.217 25.304 1.00 10.35 H new ATOM 0 HA PHE B 95 46.141 25.551 25.815 1.00 12.10 H new ATOM 0 HB2 PHE B 95 44.799 23.637 25.600 1.00 14.63 H new ATOM 0 HB3 PHE B 95 45.595 22.948 26.750 1.00 14.63 H new ATOM 0 HD1 PHE B 95 43.840 26.002 26.384 1.00 22.09 H new ATOM 0 HD2 PHE B 95 44.605 22.925 28.809 1.00 23.33 H new ATOM 0 HE1 PHE B 95 42.340 26.876 27.929 1.00 23.76 H new ATOM 0 HE2 PHE B 95 43.209 23.824 30.425 1.00 25.26 H new ATOM 0 HZ PHE B 95 42.000 25.756 29.940 1.00 24.70 H new ATOM 1323 N LYS B 96 47.319 26.169 27.926 1.00 10.49 N ATOM 1324 CA LYS B 96 48.077 26.459 29.137 1.00 11.49 C ATOM 1325 C LYS B 96 47.158 27.108 30.124 1.00 11.52 C ATOM 1326 O LYS B 96 46.394 28.025 29.781 1.00 11.20 O ATOM 1327 CB LYS B 96 49.248 27.384 28.832 1.00 13.31 C ATOM 1328 CG LYS B 96 50.345 26.768 27.997 1.00 16.68 C ATOM 1329 CD LYS B 96 51.487 27.794 27.724 1.00 18.14 C ATOM 0 H LYS B 96 46.911 26.847 27.589 1.00 10.49 H new ATOM 0 HA LYS B 96 48.435 25.634 29.501 1.00 11.49 H new ATOM 0 HB2 LYS B 96 48.912 28.169 28.372 1.00 13.31 H new ATOM 0 HB3 LYS B 96 49.630 27.688 29.670 1.00 13.31 H new ATOM 0 HG2 LYS B 96 50.706 25.992 28.454 1.00 16.68 H new ATOM 0 HG3 LYS B 96 49.978 26.456 27.155 1.00 16.68 H new ATOM 1330 N AVAL B 97 47.230 26.660 31.373 0.50 11.84 N ATOM 1331 N BVAL B 97 47.258 26.621 31.366 0.50 11.57 N ATOM 1332 CA AVAL B 97 46.520 27.356 32.431 0.50 12.61 C ATOM 1333 CA BVAL B 97 46.518 27.167 32.486 0.50 12.35 C ATOM 1334 C AVAL B 97 47.411 27.376 33.649 0.50 12.57 C ATOM 1335 C BVAL B 97 47.500 27.382 33.642 0.50 12.35 C ATOM 1336 O AVAL B 97 48.050 26.374 33.991 0.50 12.26 O ATOM 1337 O BVAL B 97 48.335 26.538 33.918 0.50 12.24 O ATOM 1338 CB AVAL B 97 45.157 26.727 32.744 0.50 13.39 C ATOM 1339 CB BVAL B 97 45.344 26.235 32.895 0.50 12.71 C ATOM 1340 CG1AVAL B 97 45.282 25.248 32.832 0.50 13.11 C ATOM 1341 CG1BVAL B 97 44.496 25.872 31.645 0.50 11.91 C ATOM 1342 CG2AVAL B 97 44.602 27.238 34.019 0.50 13.67 C ATOM 1343 CG2BVAL B 97 45.830 24.988 33.534 0.50 15.04 C ATOM 0 H AVAL B 97 47.676 25.968 31.623 0.50 11.57 H new ATOM 0 H BVAL B 97 47.765 25.958 31.574 0.50 11.57 H new ATOM 0 HA AVAL B 97 46.323 28.260 32.140 0.50 12.35 H new ATOM 0 HA BVAL B 97 46.117 28.014 32.238 0.50 12.35 H new ATOM 0 HB AVAL B 97 44.554 26.968 32.023 0.50 12.71 H new ATOM 0 HB BVAL B 97 44.800 26.715 33.539 0.50 12.71 H new ATOM 0 HG11AVAL B 97 44.415 24.861 33.030 0.50 11.91 H new ATOM 0 HG11BVAL B 97 43.765 25.290 31.907 0.50 11.91 H new ATOM 0 HG12AVAL B 97 45.606 24.900 31.987 0.50 11.91 H new ATOM 0 HG12BVAL B 97 44.138 26.682 31.250 0.50 11.91 H new ATOM 0 HG13AVAL B 97 45.907 25.017 33.537 0.50 11.91 H new ATOM 0 HG13BVAL B 97 45.055 25.416 30.996 0.50 11.91 H new ATOM 0 HG21AVAL B 97 43.742 26.822 34.188 0.50 15.04 H new ATOM 0 HG21BVAL B 97 45.073 24.432 33.776 0.50 15.04 H new ATOM 0 HG22AVAL B 97 45.210 27.027 34.744 0.50 15.04 H new ATOM 0 HG22BVAL B 97 46.399 24.507 32.913 0.50 15.04 H new ATOM 0 HG23AVAL B 97 44.489 28.200 33.961 0.50 15.04 H new ATOM 0 HG23BVAL B 97 46.336 25.209 34.332 0.50 15.04 H new ATOM 1344 N ALA B 98 47.444 28.550 34.275 1.00 13.15 N ATOM 1345 CA ALA B 98 48.198 28.794 35.508 1.00 13.08 C ATOM 1346 C ALA B 98 47.205 29.343 36.509 1.00 13.69 C ATOM 1347 O ALA B 98 46.401 30.253 36.174 1.00 13.09 O ATOM 1348 CB ALA B 98 49.331 29.783 35.274 1.00 16.43 C ATOM 0 H AALA B 98 47.021 29.243 33.991 0.50 13.15 H new ATOM 0 H BALA B 98 46.974 29.219 34.008 0.50 13.15 H new ATOM 0 HA ALA B 98 48.610 27.977 35.830 1.00 13.08 H new ATOM 0 HB1 ALA B 98 49.812 29.926 36.104 1.00 16.43 H new ATOM 0 HB2 ALA B 98 49.938 29.428 34.606 1.00 16.43 H new ATOM 0 HB3 ALA B 98 48.966 30.626 34.963 1.00 16.43 H new ATOM 1349 N GLY B 99 47.267 28.839 37.735 1.00 13.43 N ATOM 1350 CA GLY B 99 46.376 29.277 38.776 1.00 14.71 C ATOM 1351 C GLY B 99 46.714 28.636 40.097 1.00 14.35 C ATOM 1352 O GLY B 99 47.852 28.238 40.347 1.00 11.85 O ATOM 0 H GLY B 99 47.829 28.235 37.978 1.00 13.43 H new ATOM 0 HA2 GLY B 99 46.425 30.242 38.861 1.00 14.71 H new ATOM 0 HA3 GLY B 99 45.462 29.060 38.534 1.00 14.71 H new ATOM 1353 N LYS B 100 45.736 28.636 40.985 1.00 15.24 N ATOM 1354 CA LYS B 100 45.863 27.989 42.287 1.00 15.89 C ATOM 1355 C LYS B 100 45.140 26.673 42.268 1.00 13.45 C ATOM 1356 O LYS B 100 44.180 26.488 41.522 1.00 14.23 O ATOM 1357 CB LYS B 100 45.289 28.856 43.425 1.00 19.37 C ATOM 1358 CG LYS B 100 45.988 30.169 43.602 1.00 22.88 C ATOM 1359 CD LYS B 100 47.487 30.028 43.936 1.00 25.69 C ATOM 1360 CE LYS B 100 47.813 29.795 45.425 1.00 27.37 C ATOM 1361 NZ LYS B 100 49.141 30.522 45.676 1.00 28.88 N ATOM 0 H LYS B 100 44.974 29.012 40.853 1.00 15.24 H new ATOM 0 HA LYS B 100 46.810 27.859 42.455 1.00 15.89 H new ATOM 0 HB2 LYS B 100 44.349 29.021 43.251 1.00 19.37 H new ATOM 0 HB3 LYS B 100 45.340 28.358 44.256 1.00 19.37 H new ATOM 0 HG2 LYS B 100 45.893 30.690 42.789 1.00 22.88 H new ATOM 0 HG3 LYS B 100 45.551 30.667 44.311 1.00 22.88 H new ATOM 0 HD2 LYS B 100 47.849 29.290 43.422 1.00 25.69 H new ATOM 0 HD3 LYS B 100 47.945 30.831 43.642 1.00 25.69 H new ATOM 0 HE2 LYS B 100 47.111 30.145 45.995 1.00 27.37 H new ATOM 0 HE3 LYS B 100 47.891 28.848 45.621 1.00 27.37 H new ATOM 0 HZ1 LYS B 100 49.671 30.009 46.174 1.00 28.88 H new ATOM 0 HZ2 LYS B 100 49.539 30.691 44.898 1.00 28.88 H new ATOM 0 HZ3 LYS B 100 48.985 31.288 46.101 1.00 28.88 H new ATOM 1362 N PHE B 101 45.616 25.725 43.073 1.00 12.63 N ATOM 1363 CA PHE B 101 44.917 24.478 43.270 1.00 12.34 C ATOM 1364 C PHE B 101 44.590 24.283 44.729 1.00 12.48 C ATOM 1365 O PHE B 101 45.152 24.925 45.618 1.00 13.62 O ATOM 1366 CB PHE B 101 45.700 23.271 42.705 1.00 11.50 C ATOM 1367 CG PHE B 101 46.998 22.947 43.414 1.00 11.07 C ATOM 1368 CD1 PHE B 101 47.017 22.106 44.481 1.00 11.34 C ATOM 1369 CD2 PHE B 101 48.195 23.430 42.942 1.00 10.95 C ATOM 1370 CE1 PHE B 101 48.211 21.758 45.071 1.00 11.46 C ATOM 1371 CE2 PHE B 101 49.378 23.117 43.549 1.00 12.33 C ATOM 1372 CZ PHE B 101 49.385 22.297 44.633 1.00 11.97 C ATOM 0 H PHE B 101 46.351 25.794 43.515 1.00 12.63 H new ATOM 0 HA PHE B 101 44.087 24.527 42.771 1.00 12.34 H new ATOM 0 HB2 PHE B 101 45.127 22.489 42.739 1.00 11.50 H new ATOM 0 HB3 PHE B 101 45.894 23.440 41.770 1.00 11.50 H new ATOM 0 HD1 PHE B 101 46.219 21.764 44.814 1.00 11.34 H new ATOM 0 HD2 PHE B 101 48.200 23.982 42.193 1.00 10.95 H new ATOM 0 HE1 PHE B 101 48.217 21.150 45.775 1.00 11.46 H new ATOM 0 HE2 PHE B 101 50.176 23.464 43.222 1.00 12.33 H new ATOM 0 HZ PHE B 101 50.182 22.105 45.072 1.00 11.97 H new ATOM 1373 N ASP B 102 43.626 23.392 44.980 1.00 14.29 N ATOM 1374 CA ASP B 102 43.165 23.104 46.303 1.00 15.28 C ATOM 1375 C ASP B 102 43.394 21.644 46.642 1.00 15.61 C ATOM 1376 O ASP B 102 43.269 20.762 45.780 1.00 15.03 O ATOM 1377 CB ASP B 102 41.644 23.376 46.460 1.00 18.11 C ATOM 1378 CG ASP B 102 41.264 24.847 46.241 1.00 21.62 C ATOM 1379 OD1 ASP B 102 41.886 25.735 46.846 1.00 23.40 O ATOM 1380 OD2 ASP B 102 40.289 25.091 45.494 1.00 25.51 O ATOM 0 H ASP B 102 43.227 22.941 44.366 1.00 14.29 H new ATOM 0 HA ASP B 102 43.666 23.684 46.897 1.00 15.28 H new ATOM 0 HB2 ASP B 102 41.156 22.825 45.828 1.00 18.11 H new ATOM 0 HB3 ASP B 102 41.363 23.105 47.348 1.00 18.11 H new ATOM 1381 N TRP B 103 43.697 21.408 47.904 1.00 14.96 N ATOM 1382 CA TRP B 103 43.833 20.094 48.471 1.00 14.37 C ATOM 1383 C TRP B 103 42.515 19.664 49.065 1.00 15.66 C ATOM 1384 O TRP B 103 41.771 20.497 49.610 1.00 17.29 O ATOM 1385 CB TRP B 103 44.895 20.064 49.569 1.00 13.35 C ATOM 1386 CG TRP B 103 46.269 20.207 49.070 1.00 12.35 C ATOM 1387 CD1 TRP B 103 46.927 21.375 48.871 1.00 13.50 C ATOM 1388 CD2 TRP B 103 47.205 19.184 48.766 1.00 11.36 C ATOM 1389 NE1 TRP B 103 48.159 21.158 48.431 1.00 13.22 N ATOM 1390 CE2 TRP B 103 48.381 19.815 48.348 1.00 12.54 C ATOM 1391 CE3 TRP B 103 47.156 17.802 48.755 1.00 11.22 C ATOM 1392 CZ2 TRP B 103 49.476 19.114 47.931 1.00 13.37 C ATOM 1393 CZ3 TRP B 103 48.267 17.093 48.357 1.00 12.02 C ATOM 1394 CH2 TRP B 103 49.409 17.751 47.938 1.00 12.19 C ATOM 0 H TRP B 103 43.834 22.038 48.473 1.00 14.96 H new ATOM 0 HA TRP B 103 44.103 19.491 47.761 1.00 14.37 H new ATOM 0 HB2 TRP B 103 44.714 20.777 50.202 1.00 13.35 H new ATOM 0 HB3 TRP B 103 44.822 19.228 50.055 1.00 13.35 H new ATOM 0 HD1 TRP B 103 46.563 22.217 49.023 1.00 13.50 H new ATOM 0 HE1 TRP B 103 48.729 21.769 48.229 1.00 13.22 H new ATOM 0 HE3 TRP B 103 46.382 17.357 49.013 1.00 11.22 H new ATOM 0 HZ2 TRP B 103 50.246 19.553 47.650 1.00 13.37 H new ATOM 0 HZ3 TRP B 103 48.249 16.163 48.370 1.00 12.02 H new ATOM 0 HH2 TRP B 103 50.144 17.256 47.656 1.00 12.19 H new ATOM 1395 N ASP B 104 42.246 18.361 49.039 1.00 14.84 N ATOM 1396 CA ASP B 104 41.058 17.855 49.714 1.00 15.46 C ATOM 1397 C ASP B 104 41.339 17.769 51.208 1.00 17.66 C ATOM 1398 O ASP B 104 42.458 18.010 51.675 1.00 17.36 O ATOM 1399 CB ASP B 104 40.549 16.533 49.120 1.00 16.57 C ATOM 1400 CG ASP B 104 41.465 15.339 49.347 1.00 16.13 C ATOM 1401 OD1 ASP B 104 42.591 15.486 49.829 1.00 15.38 O ATOM 1402 OD2 ASP B 104 41.039 14.221 48.954 1.00 19.06 O ATOM 0 H ASP B 104 42.727 17.766 48.645 1.00 14.84 H new ATOM 0 HA ASP B 104 40.328 18.477 49.571 1.00 15.46 H new ATOM 0 HB2 ASP B 104 39.679 16.335 49.501 1.00 16.57 H new ATOM 0 HB3 ASP B 104 40.420 16.650 48.166 1.00 16.57 H new ATOM 1403 N SER B 105 40.296 17.455 51.974 1.00 19.63 N ATOM 1404 CA SER B 105 40.443 17.451 53.429 1.00 21.56 C ATOM 1405 C SER B 105 41.410 16.363 53.929 1.00 21.45 C ATOM 1406 O SER B 105 41.968 16.466 55.011 1.00 23.54 O ATOM 1407 CB SER B 105 39.075 17.308 54.104 1.00 23.06 C ATOM 1408 OG SER B 105 38.511 16.079 53.712 1.00 25.43 O ATOM 0 H SER B 105 39.514 17.246 51.682 1.00 19.63 H new ATOM 0 HA SER B 105 40.834 18.304 53.675 1.00 21.56 H new ATOM 0 HB2 SER B 105 39.170 17.343 55.069 1.00 23.06 H new ATOM 0 HB3 SER B 105 38.495 18.042 53.849 1.00 23.06 H new ATOM 0 HG SER B 105 37.760 15.986 54.076 1.00 25.43 H new ATOM 1409 N ASN B 106 41.634 15.329 53.139 1.00 19.33 N ATOM 1410 CA ASN B 106 42.604 14.306 53.503 1.00 19.06 C ATOM 1411 C ASN B 106 44.050 14.674 53.132 1.00 16.99 C ATOM 1412 O ASN B 106 44.964 13.928 53.445 1.00 16.09 O ATOM 1413 CB ASN B 106 42.242 13.025 52.770 1.00 21.38 C ATOM 1414 CG ASN B 106 41.015 12.370 53.342 1.00 24.31 C ATOM 1415 OD1 ASN B 106 40.700 12.564 54.530 1.00 27.42 O ATOM 1416 ND2 ASN B 106 40.345 11.549 52.534 1.00 26.31 N ATOM 0 H ASN B 106 41.237 15.198 52.388 1.00 19.33 H new ATOM 0 HA ASN B 106 42.568 14.208 54.467 1.00 19.06 H new ATOM 0 HB2 ASN B 106 42.094 13.222 51.832 1.00 21.38 H new ATOM 0 HB3 ASN B 106 42.988 12.406 52.816 1.00 21.38 H new ATOM 0 HD21 ASN B 106 39.658 11.123 52.828 1.00 26.31 H new ATOM 0 HD22 ASN B 106 40.599 11.446 51.719 1.00 26.31 H new ATOM 1417 N GLY B 107 44.268 15.817 52.486 1.00 14.01 N ATOM 1418 CA GLY B 107 45.617 16.170 52.028 1.00 13.02 C ATOM 1419 C GLY B 107 46.197 15.159 51.024 1.00 11.90 C ATOM 1420 O GLY B 107 47.387 14.918 51.040 1.00 10.86 O ATOM 0 H GLY B 107 43.660 16.397 52.303 1.00 14.01 H new ATOM 0 HA2 GLY B 107 45.594 17.048 51.617 1.00 13.02 H new ATOM 0 HA3 GLY B 107 46.208 16.231 52.795 1.00 13.02 H new ATOM 1421 N SER B 108 45.342 14.622 50.128 1.00 12.20 N ATOM 1422 CA SER B 108 45.727 13.548 49.255 1.00 13.70 C ATOM 1423 C SER B 108 45.473 13.815 47.787 1.00 11.93 C ATOM 1424 O SER B 108 46.239 13.383 46.920 1.00 11.51 O ATOM 1425 CB SER B 108 44.839 12.331 49.661 1.00 16.74 C ATOM 1426 OG SER B 108 45.112 11.222 48.885 1.00 18.61 O ATOM 0 H SER B 108 44.529 14.885 50.027 1.00 12.20 H new ATOM 0 HA SER B 108 46.682 13.411 49.352 1.00 13.70 H new ATOM 0 HB2 SER B 108 44.988 12.118 50.595 1.00 16.74 H new ATOM 0 HB3 SER B 108 43.903 12.568 49.570 1.00 16.74 H new ATOM 0 HG SER B 108 44.539 10.626 49.036 1.00 18.61 H new ATOM 1427 N LYS B 109 44.382 14.495 47.505 1.00 12.53 N ATOM 1428 CA LYS B 109 43.943 14.808 46.146 1.00 11.68 C ATOM 1429 C LYS B 109 43.891 16.295 45.931 1.00 13.12 C ATOM 1430 O LYS B 109 43.530 17.043 46.846 1.00 14.47 O ATOM 1431 CB LYS B 109 42.577 14.225 45.836 1.00 12.42 C ATOM 1432 CG LYS B 109 42.526 12.692 45.902 1.00 12.58 C ATOM 1433 CD LYS B 109 41.124 12.162 45.743 1.00 13.72 C ATOM 1434 CE LYS B 109 41.130 10.607 45.792 1.00 14.66 C ATOM 1435 NZ LYS B 109 39.735 9.965 45.674 1.00 15.67 N ATOM 0 H LYS B 109 43.854 14.800 48.112 1.00 12.53 H new ATOM 0 HA LYS B 109 44.594 14.407 45.549 1.00 11.68 H new ATOM 0 HB2 LYS B 109 41.930 14.589 46.461 1.00 12.42 H new ATOM 0 HB3 LYS B 109 42.307 14.511 44.949 1.00 12.42 H new ATOM 0 HG2 LYS B 109 43.091 12.321 45.206 1.00 12.58 H new ATOM 0 HG3 LYS B 109 42.888 12.394 46.751 1.00 12.58 H new ATOM 0 HD2 LYS B 109 40.557 12.512 46.447 1.00 13.72 H new ATOM 0 HD3 LYS B 109 40.750 12.464 44.901 1.00 13.72 H new ATOM 0 HE2 LYS B 109 41.690 10.273 45.074 1.00 14.66 H new ATOM 0 HE3 LYS B 109 41.537 10.321 46.625 1.00 14.66 H new ATOM 0 HZ1 LYS B 109 39.814 9.079 45.680 1.00 15.67 H new ATOM 0 HZ2 LYS B 109 39.231 10.222 46.361 1.00 15.67 H new ATOM 0 HZ3 LYS B 109 39.353 10.223 44.913 1.00 15.67 H new ATOM 1436 N ILE B 110 44.271 16.732 44.738 1.00 11.48 N ATOM 1437 CA ILE B 110 44.257 18.121 44.385 1.00 11.97 C ATOM 1438 C ILE B 110 43.265 18.375 43.249 1.00 12.10 C ATOM 1439 O ILE B 110 43.035 17.520 42.395 1.00 12.20 O ATOM 1440 CB ILE B 110 45.676 18.660 44.008 1.00 11.98 C ATOM 1441 CG1 ILE B 110 46.265 17.924 42.813 1.00 11.74 C ATOM 1442 CG2 ILE B 110 46.582 18.561 45.244 1.00 11.96 C ATOM 1443 CD1 ILE B 110 47.554 18.554 42.304 1.00 13.01 C ATOM 0 H ILE B 110 44.546 16.214 44.109 1.00 11.48 H new ATOM 0 HA ILE B 110 43.971 18.610 45.172 1.00 11.97 H new ATOM 0 HB ILE B 110 45.604 19.588 43.737 1.00 11.98 H new ATOM 0 HG12 ILE B 110 46.437 17.002 43.060 1.00 11.74 H new ATOM 0 HG13 ILE B 110 45.613 17.909 42.095 1.00 11.74 H new ATOM 0 HG21 ILE B 110 47.467 18.892 45.024 1.00 11.96 H new ATOM 0 HG22 ILE B 110 46.207 19.093 45.963 1.00 11.96 H new ATOM 0 HG23 ILE B 110 46.645 17.635 45.526 1.00 11.96 H new ATOM 0 HD11 ILE B 110 47.884 18.048 41.546 1.00 13.01 H new ATOM 0 HD12 ILE B 110 47.382 19.469 42.031 1.00 13.01 H new ATOM 0 HD13 ILE B 110 48.218 18.548 43.011 1.00 13.01 H new ATOM 1444 N THR B 111 42.687 19.567 43.253 1.00 10.83 N ATOM 1445 CA THR B 111 41.845 20.045 42.190 1.00 11.95 C ATOM 1446 C THR B 111 42.422 21.346 41.615 1.00 10.16 C ATOM 1447 O THR B 111 42.552 22.355 42.347 1.00 12.44 O ATOM 1448 CB THR B 111 40.422 20.367 42.685 1.00 12.95 C ATOM 1449 OG1 THR B 111 39.874 19.200 43.329 1.00 13.23 O ATOM 1450 CG2 THR B 111 39.481 20.768 41.520 1.00 12.88 C ATOM 0 H THR B 111 42.781 20.131 43.896 1.00 10.83 H new ATOM 0 HA THR B 111 41.808 19.341 41.523 1.00 11.95 H new ATOM 0 HB THR B 111 40.485 21.114 43.300 1.00 12.95 H new ATOM 0 HG1 THR B 111 40.288 19.055 44.045 1.00 13.23 H new ATOM 0 HG21 THR B 111 38.597 20.963 41.870 1.00 12.88 H new ATOM 0 HG22 THR B 111 39.833 21.555 41.076 1.00 12.88 H new ATOM 0 HG23 THR B 111 39.423 20.037 40.885 1.00 12.88 H new ATOM 1451 N LEU B 112 42.701 21.347 40.327 1.00 11.23 N ATOM 1452 CA LEU B 112 43.257 22.489 39.623 1.00 11.89 C ATOM 1453 C LEU B 112 42.137 23.475 39.251 1.00 14.51 C ATOM 1454 O LEU B 112 40.949 23.132 39.235 1.00 15.25 O ATOM 1455 CB LEU B 112 43.958 22.068 38.353 1.00 11.58 C ATOM 1456 CG LEU B 112 45.044 21.011 38.481 1.00 12.26 C ATOM 1457 CD1 LEU B 112 45.683 20.863 37.102 1.00 12.25 C ATOM 1458 CD2 LEU B 112 46.064 21.291 39.611 1.00 12.14 C ATOM 0 H LEU B 112 42.569 20.665 39.821 1.00 11.23 H new ATOM 0 HA LEU B 112 43.899 22.910 40.216 1.00 11.89 H new ATOM 0 HB2 LEU B 112 43.288 21.738 37.734 1.00 11.58 H new ATOM 0 HB3 LEU B 112 44.352 22.858 37.950 1.00 11.58 H new ATOM 0 HG LEU B 112 44.651 20.169 38.759 1.00 12.26 H new ATOM 0 HD11 LEU B 112 46.385 20.194 37.140 1.00 12.25 H new ATOM 0 HD12 LEU B 112 45.009 20.588 36.461 1.00 12.25 H new ATOM 0 HD13 LEU B 112 46.061 21.713 36.828 1.00 12.25 H new ATOM 0 HD21 LEU B 112 46.724 20.581 39.635 1.00 12.14 H new ATOM 0 HD22 LEU B 112 46.507 22.138 39.445 1.00 12.14 H new ATOM 0 HD23 LEU B 112 45.601 21.330 40.463 1.00 12.14 H new ATOM 1459 N SER B 113 42.520 24.692 38.874 1.00 14.49 N ATOM 1460 CA SER B 113 41.544 25.695 38.454 1.00 15.27 C ATOM 1461 C SER B 113 40.796 25.365 37.121 1.00 14.87 C ATOM 1462 O SER B 113 39.784 26.008 36.775 1.00 15.90 O ATOM 1463 CB SER B 113 42.264 27.061 38.435 1.00 14.39 C ATOM 1464 OG SER B 113 43.179 27.123 37.348 1.00 15.22 O ATOM 0 H SER B 113 43.338 24.957 38.854 1.00 14.49 H new ATOM 0 HA SER B 113 40.816 25.709 39.095 1.00 15.27 H new ATOM 0 HB2 SER B 113 41.613 27.776 38.358 1.00 14.39 H new ATOM 0 HB3 SER B 113 42.736 27.196 39.271 1.00 14.39 H new ATOM 0 HG SER B 113 43.931 26.845 37.598 1.00 15.22 H new ATOM 1465 N ASP B 114 41.262 24.396 36.329 1.00 15.04 N ATOM 1466 CA ASP B 114 40.511 23.938 35.142 1.00 15.96 C ATOM 1467 C ASP B 114 39.528 22.820 35.495 1.00 16.52 C ATOM 1468 O ASP B 114 38.915 22.258 34.612 1.00 17.05 O ATOM 1469 CB ASP B 114 41.432 23.497 33.976 1.00 16.60 C ATOM 1470 CG ASP B 114 42.121 22.155 34.217 1.00 17.02 C ATOM 1471 OD1 ASP B 114 42.165 21.731 35.406 1.00 15.65 O ATOM 1472 OD2 ASP B 114 42.637 21.525 33.234 1.00 18.01 O ATOM 0 H ASP B 114 42.009 23.989 36.457 1.00 15.04 H new ATOM 0 HA ASP B 114 40.008 24.708 34.834 1.00 15.96 H new ATOM 0 HB2 ASP B 114 40.907 23.441 33.162 1.00 16.60 H new ATOM 0 HB3 ASP B 114 42.108 24.178 33.832 1.00 16.60 H new ATOM 1473 N GLY B 115 39.412 22.498 36.782 1.00 16.37 N ATOM 1474 CA GLY B 115 38.535 21.428 37.276 1.00 17.15 C ATOM 1475 C GLY B 115 39.128 20.028 37.355 1.00 15.28 C ATOM 1476 O GLY B 115 38.523 19.139 37.944 1.00 17.22 O ATOM 0 H GLY B 115 39.847 22.900 37.406 1.00 16.37 H new ATOM 0 HA2 GLY B 115 38.228 21.675 38.162 1.00 17.15 H new ATOM 0 HA3 GLY B 115 37.752 21.392 36.704 1.00 17.15 H new ATOM 1477 N ASER B 116 40.322 19.855 36.802 0.70 14.18 N ATOM 1478 N BSER B 116 40.318 19.815 36.797 0.30 14.60 N ATOM 1479 CA ASER B 116 40.922 18.530 36.759 0.70 12.82 C ATOM 1480 CA BSER B 116 40.917 18.467 36.792 0.30 13.52 C ATOM 1481 C ASER B 116 41.474 18.176 38.142 0.70 12.02 C ATOM 1482 C BSER B 116 41.330 18.012 38.201 0.30 12.39 C ATOM 1483 O ASER B 116 41.916 19.026 38.907 0.70 12.19 O ATOM 1484 O BSER B 116 41.625 18.823 39.081 0.30 11.46 O ATOM 1485 CB ASER B 116 41.976 18.400 35.664 0.70 14.61 C ATOM 1486 CB BSER B 116 42.093 18.377 35.810 0.30 14.54 C ATOM 1487 OG ASER B 116 43.085 19.238 35.915 0.70 14.81 O ATOM 1488 OG BSER B 116 41.643 18.352 34.459 0.30 15.17 O ATOM 0 H ASER B 116 40.795 20.482 36.451 0.70 14.60 H new ATOM 0 H BSER B 116 40.794 20.424 36.419 0.30 14.60 H new ATOM 0 HA ASER B 116 40.232 17.889 36.527 0.70 13.52 H new ATOM 0 HA BSER B 116 40.229 17.855 36.486 0.30 13.52 H new ATOM 0 HB2ASER B 116 42.272 17.478 35.605 0.70 14.54 H new ATOM 0 HB2BSER B 116 42.685 19.134 35.941 0.30 14.54 H new ATOM 0 HB3ASER B 116 41.584 18.628 34.806 0.70 14.54 H new ATOM 0 HB3BSER B 116 42.610 17.578 35.995 0.30 14.54 H new ATOM 0 HG ASER B 116 42.866 20.039 35.788 0.70 15.17 H new ATOM 0 HG BSER B 116 42.267 18.594 33.951 0.30 15.17 H new ATOM 1489 N ALYS B 117 41.359 16.895 38.479 0.50 9.94 N ATOM 1490 N BLYS B 117 41.311 16.708 38.425 0.50 11.01 N ATOM 1491 CA ALYS B 117 41.759 16.350 39.793 0.50 10.13 C ATOM 1492 CA BLYS B 117 41.583 16.181 39.733 0.50 10.96 C ATOM 1493 C ALYS B 117 42.878 15.314 39.694 0.50 9.24 C ATOM 1494 C BLYS B 117 42.645 15.121 39.626 0.50 10.13 C ATOM 1495 O ALYS B 117 42.941 14.575 38.709 0.50 9.63 O ATOM 1496 O BLYS B 117 42.626 14.280 38.737 0.50 9.33 O ATOM 1497 CB ALYS B 117 40.549 15.689 40.477 0.50 10.72 C ATOM 1498 CB BLYS B 117 40.285 15.646 40.321 0.50 11.14 C ATOM 1499 CG ALYS B 117 39.471 16.660 40.971 0.50 10.68 C ATOM 1500 CG BLYS B 117 39.294 16.781 40.500 0.50 10.98 C ATOM 1501 CD ALYS B 117 38.276 15.900 41.584 0.50 10.93 C ATOM 1502 CD BLYS B 117 37.920 16.317 40.943 0.50 11.24 C ATOM 1503 CE ALYS B 117 37.166 16.828 42.039 0.50 11.37 C ATOM 1504 CE BLYS B 117 37.058 17.528 41.202 0.50 12.23 C ATOM 1505 NZ ALYS B 117 37.475 17.738 43.158 0.50 12.01 N ATOM 1506 NZ BLYS B 117 35.722 17.109 41.644 0.50 11.79 N ATOM 0 H ALYS B 117 41.041 16.300 37.946 0.50 11.01 H new ATOM 0 H BLYS B 117 41.141 16.115 37.826 0.50 11.01 H new ATOM 0 HA ALYS B 117 42.089 17.101 40.311 0.50 10.96 H new ATOM 0 HA BLYS B 117 41.919 16.870 40.328 0.50 10.96 H new ATOM 0 HB2ALYS B 117 40.143 15.067 39.854 0.50 11.14 H new ATOM 0 HB2BLYS B 117 39.911 14.968 39.737 0.50 11.14 H new ATOM 0 HB3ALYS B 117 40.866 15.168 41.232 0.50 11.14 H new ATOM 0 HB3BLYS B 117 40.459 15.220 41.175 0.50 11.14 H new ATOM 0 HG2ALYS B 117 39.850 17.259 41.633 0.50 10.98 H new ATOM 0 HG2BLYS B 117 39.643 17.406 41.154 0.50 10.98 H new ATOM 0 HG3ALYS B 117 39.164 17.210 40.233 0.50 10.98 H new ATOM 0 HG3BLYS B 117 39.211 17.264 39.663 0.50 10.98 H new ATOM 0 HD2ALYS B 117 37.924 15.276 40.930 0.50 11.24 H new ATOM 0 HD2BLYS B 117 37.518 15.758 40.260 0.50 11.24 H new ATOM 0 HD3ALYS B 117 38.584 15.375 42.339 0.50 11.24 H new ATOM 0 HD3BLYS B 117 37.990 15.777 41.746 0.50 11.24 H new ATOM 0 HE2ALYS B 117 36.891 17.365 41.280 0.50 12.23 H new ATOM 0 HE2BLYS B 117 37.470 18.088 41.878 0.50 12.23 H new ATOM 0 HE3ALYS B 117 36.403 16.285 42.293 0.50 12.23 H new ATOM 0 HE3BLYS B 117 36.987 18.062 40.396 0.50 12.23 H new ATOM 0 HZ1ALYS B 117 36.954 18.458 43.108 0.50 11.79 H new ATOM 0 HZ1BLYS B 117 35.125 17.727 41.413 0.50 11.79 H new ATOM 0 HZ2ALYS B 117 37.330 17.320 43.930 0.50 11.79 H new ATOM 0 HZ2BLYS B 117 35.511 16.335 41.259 0.50 11.79 H new ATOM 0 HZ3ALYS B 117 38.328 17.987 43.112 0.50 11.79 H new ATOM 0 HZ3BLYS B 117 35.719 17.010 42.529 0.50 11.79 H new ATOM 1507 N ATYR B 118 43.722 15.245 40.737 0.60 9.21 N ATOM 1508 N BTYR B 118 43.583 15.199 40.573 0.40 10.16 N ATOM 1509 CA ATYR B 118 44.852 14.330 40.747 0.60 10.68 C ATOM 1510 CA BTYR B 118 44.685 14.262 40.668 0.40 11.07 C ATOM 1511 C ATYR B 118 45.064 13.773 42.113 0.60 11.12 C ATOM 1512 C BTYR B 118 44.897 13.733 42.082 0.40 11.27 C ATOM 1513 O ATYR B 118 44.968 14.505 43.115 0.60 10.81 O ATOM 1514 O BTYR B 118 44.660 14.451 43.072 0.40 11.14 O ATOM 1515 CB ATYR B 118 46.159 15.018 40.313 0.60 10.30 C ATOM 1516 CB BTYR B 118 46.016 14.909 40.237 0.40 10.85 C ATOM 1517 CG ATYR B 118 46.011 15.666 38.983 0.60 9.97 C ATOM 1518 CG BTYR B 118 46.132 15.212 38.769 0.40 11.17 C ATOM 1519 CD1ATYR B 118 45.351 16.889 38.859 0.60 10.81 C ATOM 1520 CD1BTYR B 118 45.669 16.414 38.250 0.40 11.96 C ATOM 1521 CD2ATYR B 118 46.510 15.063 37.843 0.60 10.51 C ATOM 1522 CD2BTYR B 118 46.701 14.301 37.898 0.40 11.19 C ATOM 1523 CE1ATYR B 118 45.139 17.466 37.629 0.60 11.07 C ATOM 1524 CE1BTYR B 118 45.746 16.689 36.888 0.40 11.80 C ATOM 1525 CE2ATYR B 118 46.319 15.653 36.576 0.60 10.22 C ATOM 1526 CE2BTYR B 118 46.808 14.583 36.532 0.40 11.71 C ATOM 1527 CZ ATYR B 118 45.627 16.854 36.498 0.60 10.82 C ATOM 1528 CZ BTYR B 118 46.324 15.777 36.042 0.40 11.73 C ATOM 1529 OH ATYR B 118 45.396 17.510 35.312 0.60 13.42 O ATOM 1530 OH BTYR B 118 46.404 16.063 34.694 0.40 13.00 O ATOM 0 H ATYR B 118 43.648 15.726 41.446 0.60 10.16 H new ATOM 0 H BTYR B 118 43.591 15.807 41.181 0.40 10.16 H new ATOM 0 HA ATYR B 118 44.637 13.625 40.117 0.60 11.07 H new ATOM 0 HA BTYR B 118 44.439 13.533 40.077 0.40 11.07 H new ATOM 0 HB2ATYR B 118 46.412 15.683 40.973 0.60 10.85 H new ATOM 0 HB2BTYR B 118 46.134 15.734 40.734 0.40 10.85 H new ATOM 0 HB3ATYR B 118 46.875 14.365 40.279 0.60 10.85 H new ATOM 0 HB3BTYR B 118 46.743 14.319 40.490 0.40 10.85 H new ATOM 0 HD1ATYR B 118 45.048 17.323 39.624 0.60 11.96 H new ATOM 0 HD1BTYR B 118 45.301 17.047 38.823 0.40 11.96 H new ATOM 0 HD2ATYR B 118 46.976 14.261 37.912 0.60 11.19 H new ATOM 0 HD2BTYR B 118 47.017 13.490 38.225 0.40 11.19 H new ATOM 0 HE1ATYR B 118 44.668 18.265 37.562 0.60 11.80 H new ATOM 0 HE1BTYR B 118 45.407 17.488 36.553 0.40 11.80 H new ATOM 0 HE2ATYR B 118 46.650 15.246 35.808 0.60 11.71 H new ATOM 0 HE2BTYR B 118 47.204 13.968 35.957 0.40 11.71 H new ATOM 0 HH ATYR B 118 44.742 18.029 35.402 0.60 13.00 H new ATOM 0 HH BTYR B 118 47.125 16.463 34.535 0.40 13.00 H new ATOM 1531 N LEU B 119 45.352 12.483 42.152 1.00 11.35 N ATOM 1532 CA LEU B 119 45.849 11.864 43.373 1.00 11.23 C ATOM 1533 C LEU B 119 47.362 12.032 43.448 1.00 11.01 C ATOM 1534 O LEU B 119 48.075 11.667 42.548 1.00 11.49 O ATOM 1535 CB LEU B 119 45.467 10.403 43.396 1.00 12.30 C ATOM 1536 CG LEU B 119 46.000 9.538 44.536 1.00 12.36 C ATOM 1537 CD1 LEU B 119 45.298 9.921 45.838 1.00 12.49 C ATOM 1538 CD2 LEU B 119 45.810 8.034 44.263 1.00 14.30 C ATOM 0 H ALEU B 119 45.268 11.947 41.485 0.60 11.35 H new ATOM 0 H BLEU B 119 45.380 11.960 41.470 0.40 11.35 H new ATOM 0 HA LEU B 119 45.451 12.295 44.145 1.00 11.23 H new ATOM 0 HB2 LEU B 119 44.499 10.350 43.411 1.00 12.30 H new ATOM 0 HB3 LEU B 119 45.760 10.006 42.561 1.00 12.30 H new ATOM 0 HG LEU B 119 46.953 9.701 44.609 1.00 12.36 H new ATOM 0 HD11 LEU B 119 45.637 9.372 46.562 1.00 12.49 H new ATOM 0 HD12 LEU B 119 45.468 10.855 46.035 1.00 12.49 H new ATOM 0 HD13 LEU B 119 44.343 9.779 45.745 1.00 12.49 H new ATOM 0 HD21 LEU B 119 46.161 7.523 45.009 1.00 14.30 H new ATOM 0 HD22 LEU B 119 44.865 7.841 44.155 1.00 14.30 H new ATOM 0 HD23 LEU B 119 46.284 7.790 43.453 1.00 14.30 H new ATOM 1539 N VAL B 120 47.841 12.670 44.512 1.00 10.78 N ATOM 1540 CA VAL B 120 49.260 12.952 44.655 1.00 10.99 C ATOM 1541 C VAL B 120 49.918 11.739 45.271 1.00 11.32 C ATOM 1542 O VAL B 120 49.482 11.285 46.349 1.00 13.25 O ATOM 1543 CB VAL B 120 49.474 14.192 45.537 1.00 11.38 C ATOM 1544 CG1 VAL B 120 50.953 14.516 45.606 1.00 12.75 C ATOM 1545 CG2 VAL B 120 48.671 15.396 45.020 1.00 12.23 C ATOM 0 H VAL B 120 47.355 12.948 45.165 1.00 10.78 H new ATOM 0 HA VAL B 120 49.654 13.138 43.788 1.00 10.99 H new ATOM 0 HB VAL B 120 49.150 13.996 46.430 1.00 11.38 H new ATOM 0 HG11 VAL B 120 51.087 15.299 46.163 1.00 12.75 H new ATOM 0 HG12 VAL B 120 51.432 13.763 45.986 1.00 12.75 H new ATOM 0 HG13 VAL B 120 51.288 14.694 44.713 1.00 12.75 H new ATOM 0 HG21 VAL B 120 48.827 16.161 45.596 1.00 12.23 H new ATOM 0 HG22 VAL B 120 48.953 15.610 44.117 1.00 12.23 H new ATOM 0 HG23 VAL B 120 47.726 15.179 45.020 1.00 12.23 H new ATOM 1546 N GLY B 121 50.886 11.148 44.574 1.00 10.62 N ATOM 1547 CA GLY B 121 51.536 9.955 45.046 1.00 10.85 C ATOM 1548 C GLY B 121 53.018 10.042 44.982 1.00 10.36 C ATOM 1549 O GLY B 121 53.597 11.115 44.705 1.00 11.10 O ATOM 0 H GLY B 121 51.176 11.435 43.817 1.00 10.62 H new ATOM 0 HA2 GLY B 121 51.266 9.785 45.962 1.00 10.85 H new ATOM 0 HA3 GLY B 121 51.238 9.198 44.517 1.00 10.85 H new ATOM 1550 N AGLU B 122 53.684 8.946 45.298 0.50 10.74 N ATOM 1551 N BGLU B 122 53.664 8.923 45.242 0.50 11.52 N ATOM 1552 CA AGLU B 122 55.158 8.975 45.322 0.50 10.45 C ATOM 1553 CA BGLU B 122 55.126 8.887 45.249 0.50 11.97 C ATOM 1554 C AGLU B 122 55.709 9.062 43.895 0.50 10.75 C ATOM 1555 C BGLU B 122 55.668 9.076 43.836 0.50 11.50 C ATOM 1556 O AGLU B 122 55.554 8.143 43.073 0.50 11.12 O ATOM 1557 O BGLU B 122 55.456 8.242 42.944 0.50 11.73 O ATOM 1558 CB AGLU B 122 55.749 7.780 46.073 0.50 12.16 C ATOM 1559 CB BGLU B 122 55.608 7.562 45.820 0.50 14.45 C ATOM 1560 CG AGLU B 122 55.544 7.862 47.576 0.50 13.43 C ATOM 1561 CG BGLU B 122 55.159 7.332 47.254 0.50 16.47 C ATOM 1562 CD AGLU B 122 56.380 6.897 48.414 0.50 14.83 C ATOM 1563 CD BGLU B 122 55.644 6.016 47.810 0.50 18.40 C ATOM 1564 OE1AGLU B 122 57.561 6.615 48.101 0.50 17.09 O ATOM 1565 OE1BGLU B 122 56.808 5.685 47.590 0.50 20.65 O ATOM 1566 OE2AGLU B 122 55.843 6.452 49.453 0.50 16.20 O ATOM 1567 OE2BGLU B 122 54.846 5.304 48.452 0.50 21.38 O ATOM 0 H AGLU B 122 53.326 8.190 45.498 0.50 11.52 H new ATOM 0 H BGLU B 122 53.284 8.172 45.417 0.50 11.52 H new ATOM 0 HA AGLU B 122 55.429 9.769 45.809 0.50 11.97 H new ATOM 0 HA BGLU B 122 55.454 9.611 45.806 0.50 11.97 H new ATOM 0 HB2AGLU B 122 55.344 6.963 45.741 0.50 14.45 H new ATOM 0 HB2BGLU B 122 55.280 6.838 45.264 0.50 14.45 H new ATOM 0 HB3AGLU B 122 56.699 7.723 45.884 0.50 14.45 H new ATOM 0 HB3BGLU B 122 56.577 7.533 45.781 0.50 14.45 H new ATOM 0 HG2AGLU B 122 55.741 8.767 47.863 0.50 16.47 H new ATOM 0 HG2BGLU B 122 55.486 8.055 47.812 0.50 16.47 H new ATOM 0 HG3AGLU B 122 54.607 7.701 47.767 0.50 16.47 H new ATOM 0 HG3BGLU B 122 54.190 7.359 47.294 0.50 16.47 H new ATOM 1568 N ASN B 123 56.363 10.174 43.628 1.00 9.82 N ATOM 1569 CA ASN B 123 56.975 10.465 42.309 1.00 10.32 C ATOM 1570 C ASN B 123 55.959 10.546 41.179 1.00 10.56 C ATOM 1571 O ASN B 123 56.353 10.369 40.047 1.00 11.14 O ATOM 1572 CB ASN B 123 58.101 9.499 41.966 1.00 11.00 C ATOM 1573 CG ASN B 123 59.233 9.566 42.987 1.00 10.86 C ATOM 1574 OD1 ASN B 123 59.650 10.687 43.358 1.00 11.88 O ATOM 1575 ND2 ASN B 123 59.744 8.405 43.432 1.00 11.97 N ATOM 0 H AASN B 123 56.475 10.802 44.205 0.50 9.82 H new ATOM 0 H BASN B 123 56.503 10.776 44.226 0.50 9.82 H new ATOM 0 HA ASN B 123 57.363 11.350 42.398 1.00 10.32 H new ATOM 0 HB2 ASN B 123 57.752 8.595 41.929 1.00 11.00 H new ATOM 0 HB3 ASN B 123 58.448 9.706 41.084 1.00 11.00 H new ATOM 0 HD21 ASN B 123 60.390 8.409 44.000 1.00 11.97 H new ATOM 0 HD22 ASN B 123 59.425 7.658 43.149 1.00 11.97 H new ATOM 1576 N GLN B 124 54.709 10.811 41.487 1.00 10.02 N ATOM 1577 CA GLN B 124 53.684 10.849 40.427 1.00 10.89 C ATOM 1578 C GLN B 124 52.433 11.567 40.859 1.00 11.05 C ATOM 1579 O GLN B 124 52.126 11.761 42.057 1.00 11.72 O ATOM 1580 CB GLN B 124 53.336 9.426 39.992 1.00 11.25 C ATOM 1581 CG GLN B 124 52.549 8.637 41.081 1.00 13.49 C ATOM 1582 CD GLN B 124 52.013 7.330 40.536 1.00 15.34 C ATOM 1583 OE1 GLN B 124 52.786 6.519 39.993 1.00 16.51 O ATOM 1584 NE2 GLN B 124 50.690 7.141 40.643 1.00 15.33 N ATOM 0 H GLN B 124 54.422 10.971 42.282 1.00 10.02 H new ATOM 0 HA GLN B 124 54.060 11.345 39.683 1.00 10.89 H new ATOM 0 HB2 GLN B 124 52.808 9.461 39.179 1.00 11.25 H new ATOM 0 HB3 GLN B 124 54.153 8.948 39.780 1.00 11.25 H new ATOM 0 HG2 GLN B 124 53.129 8.460 41.838 1.00 13.49 H new ATOM 0 HG3 GLN B 124 51.814 9.179 41.408 1.00 13.49 H new ATOM 0 HE21 GLN B 124 50.201 7.734 41.028 1.00 15.33 H new ATOM 0 HE22 GLN B 124 50.331 6.427 40.326 1.00 15.33 H new ATOM 1585 N LEU B 125 51.652 11.908 39.860 1.00 11.56 N ATOM 1586 CA LEU B 125 50.282 12.363 40.034 1.00 11.29 C ATOM 1587 C LEU B 125 49.435 11.404 39.188 1.00 12.28 C ATOM 1588 O LEU B 125 49.866 11.014 38.095 1.00 13.80 O ATOM 1589 CB LEU B 125 50.086 13.773 39.521 1.00 10.45 C ATOM 1590 CG LEU B 125 50.961 14.866 40.149 1.00 10.75 C ATOM 1591 CD1 LEU B 125 50.641 16.218 39.476 1.00 12.37 C ATOM 1592 CD2 LEU B 125 50.729 14.967 41.642 1.00 12.87 C ATOM 0 H LEU B 125 51.904 11.883 39.038 1.00 11.56 H new ATOM 0 HA LEU B 125 50.040 12.369 40.973 1.00 11.29 H new ATOM 0 HB2 LEU B 125 50.245 13.771 38.564 1.00 10.45 H new ATOM 0 HB3 LEU B 125 49.156 14.016 39.654 1.00 10.45 H new ATOM 0 HG LEU B 125 51.893 14.636 40.008 1.00 10.75 H new ATOM 0 HD11 LEU B 125 51.191 16.914 39.869 1.00 12.37 H new ATOM 0 HD12 LEU B 125 50.826 16.158 38.526 1.00 12.37 H new ATOM 0 HD13 LEU B 125 49.705 16.433 39.610 1.00 12.37 H new ATOM 0 HD21 LEU B 125 51.294 15.664 42.011 1.00 12.87 H new ATOM 0 HD22 LEU B 125 49.798 15.182 41.811 1.00 12.87 H new ATOM 0 HD23 LEU B 125 50.946 14.120 42.061 1.00 12.87 H new ATOM 1593 N LEU B 126 48.252 11.078 39.643 1.00 11.37 N ATOM 1594 CA LEU B 126 47.371 10.158 38.920 1.00 10.99 C ATOM 1595 C LEU B 126 46.132 10.944 38.631 1.00 9.96 C ATOM 1596 O LEU B 126 45.439 11.366 39.571 1.00 11.15 O ATOM 1597 CB LEU B 126 47.070 8.933 39.768 1.00 11.55 C ATOM 1598 CG LEU B 126 46.011 8.003 39.163 1.00 12.17 C ATOM 1599 CD1 LEU B 126 46.545 7.377 37.810 1.00 13.63 C ATOM 1600 CD2 LEU B 126 45.617 6.878 40.140 1.00 14.22 C ATOM 0 H LEU B 126 47.924 11.377 40.380 1.00 11.37 H new ATOM 0 HA LEU B 126 47.776 9.827 38.103 1.00 10.99 H new ATOM 0 HB2 LEU B 126 47.890 8.432 39.900 1.00 11.55 H new ATOM 0 HB3 LEU B 126 46.771 9.223 40.644 1.00 11.55 H new ATOM 0 HG LEU B 126 45.220 8.535 38.985 1.00 12.17 H new ATOM 0 HD11 LEU B 126 45.869 6.791 37.435 1.00 13.63 H new ATOM 0 HD12 LEU B 126 46.741 8.088 37.180 1.00 13.63 H new ATOM 0 HD13 LEU B 126 47.352 6.868 37.985 1.00 13.63 H new ATOM 0 HD21 LEU B 126 44.948 6.310 39.727 1.00 14.22 H new ATOM 0 HD22 LEU B 126 46.400 6.349 40.357 1.00 14.22 H new ATOM 0 HD23 LEU B 126 45.255 7.266 40.952 1.00 14.22 H new HETATM 1601 N AMSE B 127 45.834 11.188 37.361 0.50 10.57 N HETATM 1602 N BMSE B 127 45.828 11.130 37.356 0.50 9.54 N HETATM 1603 CA AMSE B 127 44.646 11.974 37.066 0.50 11.02 C HETATM 1604 CA BMSE B 127 44.629 11.856 36.999 0.50 9.45 C HETATM 1605 C AMSE B 127 43.394 11.127 37.305 0.50 10.02 C HETATM 1606 C BMSE B 127 43.423 11.041 37.433 0.50 9.18 C HETATM 1607 O AMSE B 127 43.305 9.979 36.860 0.50 10.35 O HETATM 1608 O BMSE B 127 43.400 9.802 37.280 0.50 9.50 O HETATM 1609 CB AMSE B 127 44.631 12.532 35.657 0.50 12.51 C HETATM 1610 CB BMSE B 127 44.535 12.078 35.514 0.50 9.61 C HETATM 1611 CG AMSE B 127 43.700 13.736 35.555 0.50 13.35 C HETATM 1612 CG BMSE B 127 43.364 12.982 35.138 0.50 9.98 C HETATM 1613 SE AMSE B 127 43.559 14.519 33.811 0.38 15.91 SE HETATM 1614 SE BMSE B 127 43.104 13.280 33.220 0.37 11.50 SE HETATM 1615 CE AMSE B 127 42.395 13.043 33.254 0.50 10.53 C HETATM 1616 CE BMSE B 127 44.517 14.528 32.891 0.50 16.44 C HETATM 0 H AMSE B 127 46.286 10.920 36.680 0.50 9.54 H new HETATM 0 H BMSE B 127 46.297 10.847 36.693 0.50 9.54 H new HETATM 0 HA AMSE B 127 44.658 12.736 37.666 0.50 9.45 H new HETATM 0 HA BMSE B 127 44.656 12.720 37.440 0.50 9.45 H new HETATM 0 HB2AMSE B 127 45.529 12.791 35.399 0.50 9.61 H new HETATM 0 HB2BMSE B 127 45.362 12.473 35.195 0.50 9.61 H new HETATM 0 HB3AMSE B 127 44.344 11.844 35.036 0.50 9.61 H new HETATM 0 HB3BMSE B 127 44.438 11.223 35.066 0.50 9.61 H new HETATM 0 HG2AMSE B 127 42.814 13.467 35.845 0.50 9.98 H new HETATM 0 HG2BMSE B 127 42.551 12.599 35.502 0.50 9.98 H new HETATM 0 HG3AMSE B 127 44.006 14.416 36.175 0.50 9.98 H new HETATM 0 HG3BMSE B 127 43.490 13.842 35.568 0.50 9.98 H new HETATM 0 HE1AMSE B 127 42.133 13.169 32.329 0.50 16.44 H new HETATM 0 HE1BMSE B 127 44.517 14.778 31.954 0.50 16.44 H new HETATM 0 HE2AMSE B 127 42.872 12.203 33.343 0.50 16.44 H new HETATM 0 HE2BMSE B 127 44.384 15.319 33.436 0.50 16.44 H new HETATM 0 HE3AMSE B 127 41.604 13.026 33.815 0.50 16.44 H new HETATM 0 HE3BMSE B 127 45.368 14.120 33.116 0.50 16.44 H new ATOM 1617 N LEU B 128 42.430 11.722 38.001 1.00 9.41 N ATOM 1618 CA LEU B 128 41.173 11.090 38.397 1.00 9.66 C ATOM 1619 C LEU B 128 40.010 11.521 37.512 1.00 10.29 C ATOM 1620 O LEU B 128 40.154 12.442 36.698 1.00 10.93 O ATOM 1621 CB LEU B 128 40.848 11.448 39.848 1.00 10.69 C ATOM 1622 CG LEU B 128 41.967 11.170 40.847 1.00 10.10 C ATOM 1623 CD1 LEU B 128 41.698 11.938 42.175 1.00 10.76 C ATOM 1624 CD2 LEU B 128 42.158 9.657 41.083 1.00 11.96 C ATOM 0 H ALEU B 128 42.492 12.538 38.267 0.50 9.41 H new ATOM 0 H BLEU B 128 42.466 12.565 38.168 0.50 9.41 H new ATOM 0 HA LEU B 128 41.290 10.132 38.299 1.00 9.66 H new ATOM 0 HB2 LEU B 128 40.621 12.390 39.891 1.00 10.69 H new ATOM 0 HB3 LEU B 128 40.059 10.953 40.120 1.00 10.69 H new ATOM 0 HG LEU B 128 42.801 11.495 40.473 1.00 10.10 H new ATOM 0 HD11 LEU B 128 42.413 11.756 42.805 1.00 10.76 H new ATOM 0 HD12 LEU B 128 41.659 12.891 41.996 1.00 10.76 H new ATOM 0 HD13 LEU B 128 40.854 11.646 42.553 1.00 10.76 H new ATOM 0 HD21 LEU B 128 42.875 9.517 41.721 1.00 11.96 H new ATOM 0 HD22 LEU B 128 41.336 9.277 41.432 1.00 11.96 H new ATOM 0 HD23 LEU B 128 42.383 9.224 40.245 1.00 11.96 H new ATOM 1625 N ASP B 129 38.856 10.880 37.699 1.00 9.62 N ATOM 1626 CA ASP B 129 37.665 11.298 36.951 1.00 11.16 C ATOM 1627 C ASP B 129 37.093 12.591 37.563 1.00 12.99 C ATOM 1628 O ASP B 129 37.661 13.106 38.546 1.00 12.65 O ATOM 1629 CB ASP B 129 36.678 10.136 36.804 1.00 10.43 C ATOM 1630 CG ASP B 129 35.858 9.836 38.034 1.00 11.62 C ATOM 1631 OD1 ASP B 129 35.907 10.615 39.025 1.00 11.73 O ATOM 1632 OD2 ASP B 129 35.104 8.851 37.993 1.00 12.49 O ATOM 0 H ASP B 129 38.740 10.219 38.237 1.00 9.62 H new ATOM 0 HA ASP B 129 37.895 11.528 36.037 1.00 11.16 H new ATOM 0 HB2 ASP B 129 36.075 10.332 36.070 1.00 10.43 H new ATOM 0 HB3 ASP B 129 37.173 9.338 36.559 1.00 10.43 H new ATOM 1633 N ATHR B 130 36.067 13.118 36.888 0.50 12.68 N ATOM 1634 N BTHR B 130 35.954 13.082 37.089 0.50 14.29 N ATOM 1635 CA ATHR B 130 35.449 14.401 37.214 0.50 13.78 C ATOM 1636 CA BTHR B 130 35.443 14.354 37.653 0.50 16.05 C ATOM 1637 C ATHR B 130 35.081 14.557 38.668 0.50 13.44 C ATOM 1638 C BTHR B 130 35.019 14.283 39.147 0.50 15.45 C ATOM 1639 O ATHR B 130 35.039 15.679 39.190 0.50 13.50 O ATOM 1640 O BTHR B 130 35.143 15.285 39.873 0.50 15.10 O ATOM 1641 CB ATHR B 130 34.140 14.552 36.451 0.50 14.68 C ATOM 1642 CB BTHR B 130 34.330 14.945 36.767 0.50 17.76 C ATOM 1643 OG1ATHR B 130 34.417 14.837 35.082 0.50 16.11 O ATOM 1644 OG1BTHR B 130 33.266 13.986 36.584 0.50 18.99 O ATOM 1645 CG2ATHR B 130 33.271 15.676 37.092 0.50 13.67 C ATOM 1646 CG2BTHR B 130 34.935 15.342 35.428 0.50 18.54 C ATOM 0 H ATHR B 130 35.705 12.728 36.213 0.50 14.29 H new ATOM 0 H BTHR B 130 35.473 12.724 36.472 0.50 14.29 H new ATOM 0 HA ATHR B 130 36.117 15.064 36.979 0.50 16.05 H new ATOM 0 HA BTHR B 130 36.201 14.960 37.647 0.50 16.05 H new ATOM 0 HB ATHR B 130 33.639 13.723 36.499 0.50 17.76 H new ATOM 0 HB BTHR B 130 33.949 15.727 37.196 0.50 17.76 H new ATOM 0 HG1ATHR B 130 34.697 14.142 34.702 0.50 18.99 H new ATOM 0 HG1BTHR B 130 32.666 14.321 36.101 0.50 18.99 H new ATOM 0 HG21ATHR B 130 32.440 15.764 36.599 0.50 18.54 H new ATOM 0 HG21BTHR B 130 34.244 15.716 34.859 0.50 18.54 H new ATOM 0 HG22ATHR B 130 33.076 15.448 38.015 0.50 18.54 H new ATOM 0 HG22BTHR B 130 35.630 16.004 35.570 0.50 18.54 H new ATOM 0 HG23ATHR B 130 33.755 16.516 37.062 0.50 18.54 H new ATOM 0 HG23BTHR B 130 35.317 14.559 35.000 0.50 18.54 H new ATOM 1647 N AGLU B 131 34.798 13.421 39.299 0.50 12.88 N ATOM 1648 N BGLU B 131 34.602 13.102 39.617 0.50 14.66 N ATOM 1649 CA AGLU B 131 34.344 13.366 40.667 0.50 12.91 C ATOM 1650 CA BGLU B 131 34.258 12.893 41.018 0.50 14.60 C ATOM 1651 C AGLU B 131 35.371 12.804 41.681 0.50 14.31 C ATOM 1652 C BGLU B 131 35.477 12.744 41.874 0.50 15.31 C ATOM 1653 O AGLU B 131 35.012 12.473 42.811 0.50 15.84 O ATOM 1654 O BGLU B 131 35.405 12.670 43.105 0.50 16.28 O ATOM 1655 CB AGLU B 131 33.013 12.574 40.736 0.50 12.07 C ATOM 1656 CB BGLU B 131 33.386 11.638 41.213 0.50 13.77 C ATOM 1657 CG AGLU B 131 31.853 13.054 39.810 0.50 11.98 C ATOM 1658 CG BGLU B 131 31.937 11.889 40.875 0.50 13.55 C ATOM 1659 CD AGLU B 131 31.225 14.431 40.147 0.50 11.15 C ATOM 1660 CD BGLU B 131 30.962 10.745 41.203 0.50 14.20 C ATOM 1661 OE1AGLU B 131 31.777 15.163 40.978 0.50 12.89 O ATOM 1662 OE1BGLU B 131 31.321 9.544 41.099 0.50 13.10 O ATOM 1663 OE2AGLU B 131 30.204 14.763 39.522 0.50 9.51 O ATOM 1664 OE2BGLU B 131 29.795 11.083 41.489 0.50 14.58 O ATOM 0 H AGLU B 131 34.869 12.648 38.928 0.50 14.66 H new ATOM 0 H BGLU B 131 34.512 12.401 39.127 0.50 14.66 H new ATOM 0 HA AGLU B 131 34.212 14.287 40.942 0.50 14.60 H new ATOM 0 HA BGLU B 131 33.762 13.682 41.287 0.50 14.60 H new ATOM 0 HB2AGLU B 131 33.203 11.647 40.525 0.50 13.77 H new ATOM 0 HB2BGLU B 131 33.726 10.921 40.656 0.50 13.77 H new ATOM 0 HB3AGLU B 131 32.696 12.597 41.652 0.50 13.77 H new ATOM 0 HB3BGLU B 131 33.454 11.339 42.133 0.50 13.77 H new ATOM 0 HG2AGLU B 131 32.185 13.086 38.899 0.50 13.55 H new ATOM 0 HG2BGLU B 131 31.646 12.684 41.348 0.50 13.55 H new ATOM 0 HG3AGLU B 131 31.150 12.386 39.832 0.50 13.55 H new ATOM 0 HG3BGLU B 131 31.873 12.083 39.927 0.50 13.55 H new ATOM 1665 N GLY B 132 36.630 12.681 41.248 1.00 14.52 N ATOM 1666 CA GLY B 132 37.797 12.341 42.049 1.00 13.93 C ATOM 1667 C GLY B 132 38.006 10.866 42.274 1.00 14.13 C ATOM 1668 O GLY B 132 38.750 10.486 43.164 1.00 14.71 O ATOM 0 H AGLY B 132 36.832 12.804 40.421 0.50 14.52 H new ATOM 0 H BGLY B 132 36.764 12.821 40.410 0.50 14.52 H new ATOM 0 HA2 GLY B 132 38.586 12.704 41.617 1.00 13.93 H new ATOM 0 HA3 GLY B 132 37.719 12.778 42.911 1.00 13.93 H new ATOM 1669 N ASN B 133 37.368 10.014 41.456 1.00 12.81 N ATOM 1670 CA ASN B 133 37.578 8.580 41.555 1.00 13.73 C ATOM 1671 C ASN B 133 38.673 8.123 40.604 1.00 12.71 C ATOM 1672 O ASN B 133 38.902 8.735 39.555 1.00 11.61 O ATOM 1673 CB ASN B 133 36.384 7.755 41.090 1.00 15.73 C ATOM 1674 CG ASN B 133 35.086 8.165 41.663 1.00 19.89 C ATOM 1675 OD1 ASN B 133 34.912 8.140 42.879 1.00 21.87 O ATOM 1676 ND2 ASN B 133 34.102 8.430 40.781 1.00 22.22 N ATOM 0 H ASN B 133 36.814 10.254 40.843 1.00 12.81 H new ATOM 0 HA ASN B 133 37.774 8.443 42.495 1.00 13.73 H new ATOM 0 HB2 ASN B 133 36.327 7.808 40.123 1.00 15.73 H new ATOM 0 HB3 ASN B 133 36.543 6.825 41.314 1.00 15.73 H new ATOM 0 HD21 ASN B 133 33.305 8.592 41.061 1.00 22.22 H new ATOM 0 HD22 ASN B 133 34.271 8.437 39.938 1.00 22.22 H new ATOM 1677 N AARG B 134 39.373 7.052 40.960 0.50 12.59 N ATOM 1678 N BARG B 134 39.307 7.019 40.953 0.50 12.04 N ATOM 1679 CA AARG B 134 40.382 6.474 40.087 0.50 13.23 C ATOM 1680 CA BARG B 134 40.283 6.386 40.106 0.50 12.24 C ATOM 1681 C AARG B 134 39.727 5.892 38.830 0.50 11.87 C ATOM 1682 C BARG B 134 39.644 5.958 38.791 0.50 11.16 C ATOM 1683 O AARG B 134 38.678 5.233 38.882 0.50 11.87 O ATOM 1684 O BARG B 134 38.488 5.510 38.754 0.50 11.64 O ATOM 1685 CB AARG B 134 41.179 5.355 40.782 0.50 15.46 C ATOM 1686 CB BARG B 134 40.845 5.140 40.795 0.50 13.50 C ATOM 1687 CG AARG B 134 42.214 5.788 41.835 0.50 17.84 C ATOM 1688 CG BARG B 134 42.068 4.589 40.115 0.50 15.11 C ATOM 1689 CD AARG B 134 42.576 4.561 42.667 0.50 19.95 C ATOM 1690 CD BARG B 134 42.758 3.500 40.912 0.50 16.03 C ATOM 1691 NE AARG B 134 43.801 4.672 43.435 0.50 22.21 N ATOM 1692 NE BARG B 134 42.056 2.238 40.923 0.50 17.65 N ATOM 1693 CZ AARG B 134 44.992 4.372 42.936 0.50 23.32 C ATOM 1694 CZ BARG B 134 41.975 1.396 39.898 0.50 18.83 C ATOM 1695 NH1AARG B 134 45.102 4.008 41.663 0.50 23.53 N ATOM 1696 NH1BARG B 134 41.303 0.273 40.049 0.50 19.62 N ATOM 1697 NH2AARG B 134 46.072 4.472 43.689 0.50 24.40 N ATOM 1698 NH2BARG B 134 42.553 1.662 38.728 0.50 19.26 N ATOM 0 H AARG B 134 39.276 6.643 41.710 0.50 12.04 H new ATOM 0 H BARG B 134 39.178 6.614 41.700 0.50 12.04 H new ATOM 0 HA AARG B 134 40.992 7.191 39.853 0.50 12.24 H new ATOM 0 HA BARG B 134 40.994 7.023 39.935 0.50 12.24 H new ATOM 0 HB2AARG B 134 40.547 4.755 41.208 0.50 13.50 H new ATOM 0 HB2BARG B 134 41.063 5.357 41.715 0.50 13.50 H new ATOM 0 HB3AARG B 134 41.640 4.843 40.099 0.50 13.50 H new ATOM 0 HB3BARG B 134 40.159 4.454 40.820 0.50 13.50 H new ATOM 0 HG2AARG B 134 43.004 6.152 41.405 0.50 15.11 H new ATOM 0 HG2BARG B 134 41.816 4.236 39.247 0.50 15.11 H new ATOM 0 HG3AARG B 134 41.851 6.487 42.401 0.50 15.11 H new ATOM 0 HG3BARG B 134 42.695 5.312 39.956 0.50 15.11 H new ATOM 0 HD2AARG B 134 41.845 4.375 43.277 0.50 16.03 H new ATOM 0 HD2BARG B 134 43.646 3.361 40.548 0.50 16.03 H new ATOM 0 HD3AARG B 134 42.652 3.797 42.074 0.50 16.03 H new ATOM 0 HD3BARG B 134 42.870 3.804 41.826 0.50 16.03 H new ATOM 0 HE AARG B 134 43.753 4.944 44.249 0.50 17.65 H new ATOM 0 HE BARG B 134 41.658 2.013 41.652 0.50 17.65 H new ATOM 0 HH11AARG B 134 44.402 3.968 41.165 0.50 19.62 H new ATOM 0 HH11BARG B 134 40.926 0.095 40.801 0.50 19.62 H new ATOM 0 HH12AARG B 134 45.873 3.813 41.337 0.50 19.62 H new ATOM 0 HH12BARG B 134 41.241 -0.282 39.395 0.50 19.62 H new ATOM 0 HH21AARG B 134 46.004 4.732 44.506 0.50 19.26 H new ATOM 0 HH21BARG B 134 42.992 2.394 38.622 0.50 19.26 H new ATOM 0 HH22AARG B 134 46.843 4.277 43.363 0.50 19.26 H new ATOM 0 HH22BARG B 134 42.487 1.102 38.079 0.50 19.26 H new ATOM 1699 N ILE B 135 40.426 6.124 37.726 1.00 11.60 N ATOM 1700 CA ILE B 135 40.037 5.702 36.391 1.00 11.57 C ATOM 1701 C ILE B 135 40.484 4.259 36.222 1.00 11.35 C ATOM 1702 O ILE B 135 41.670 3.941 36.391 1.00 12.77 O ATOM 1703 CB ILE B 135 40.634 6.649 35.341 1.00 10.81 C ATOM 1704 CG1 ILE B 135 40.055 8.055 35.548 1.00 11.81 C ATOM 1705 CG2 ILE B 135 40.326 6.131 33.909 1.00 12.48 C ATOM 1706 CD1 ILE B 135 40.780 9.148 34.708 1.00 11.15 C ATOM 0 H AILE B 135 41.173 6.551 37.737 0.50 11.60 H new ATOM 0 H BILE B 135 41.204 6.489 37.763 0.50 11.60 H new ATOM 0 HA ILE B 135 39.076 5.744 36.266 1.00 11.57 H new ATOM 0 HB ILE B 135 41.598 6.683 35.444 1.00 10.81 H new ATOM 0 HG12 ILE B 135 39.113 8.048 35.315 1.00 11.81 H new ATOM 0 HG13 ILE B 135 40.113 8.287 36.488 1.00 11.81 H new ATOM 0 HG21 ILE B 135 40.708 6.738 33.256 1.00 12.48 H new ATOM 0 HG22 ILE B 135 40.711 5.248 33.794 1.00 12.48 H new ATOM 0 HG23 ILE B 135 39.366 6.083 33.782 1.00 12.48 H new ATOM 0 HD11 ILE B 135 40.372 10.011 34.879 1.00 11.15 H new ATOM 0 HD12 ILE B 135 41.717 9.178 34.956 1.00 11.15 H new ATOM 0 HD13 ILE B 135 40.702 8.936 33.765 1.00 11.15 H new ATOM 1707 N THR B 136 39.501 3.403 35.962 1.00 12.72 N ATOM 1708 CA THR B 136 39.676 1.964 35.851 1.00 13.94 C ATOM 1709 C THR B 136 39.862 1.513 34.409 1.00 13.61 C ATOM 1710 O THR B 136 39.777 2.306 33.469 1.00 13.16 O ATOM 1711 CB THR B 136 38.380 1.295 36.443 1.00 15.41 C ATOM 1712 OG1 THR B 136 37.220 1.941 35.875 1.00 16.48 O ATOM 1713 CG2 THR B 136 38.343 1.510 37.964 1.00 17.35 C ATOM 0 H THR B 136 38.688 3.655 35.842 1.00 12.72 H new ATOM 0 HA THR B 136 40.476 1.702 36.333 1.00 13.94 H new ATOM 0 HB THR B 136 38.384 0.347 36.237 1.00 15.41 H new ATOM 0 HG1 THR B 136 36.988 1.537 35.176 1.00 16.48 H new ATOM 0 HG21 THR B 136 37.545 1.098 38.330 1.00 17.35 H new ATOM 0 HG22 THR B 136 39.128 1.107 38.367 1.00 17.35 H new ATOM 0 HG23 THR B 136 38.333 2.461 38.156 1.00 17.35 H new ATOM 1714 N GLY B 137 40.068 0.207 34.225 1.00 13.75 N ATOM 1715 CA GLY B 137 40.130 -0.355 32.900 1.00 14.49 C ATOM 1716 C GLY B 137 41.482 -0.505 32.271 1.00 14.34 C ATOM 1717 O GLY B 137 42.525 -0.227 32.862 1.00 13.21 O ATOM 0 H GLY B 137 40.173 -0.361 34.862 1.00 13.75 H new ATOM 0 HA2 GLY B 137 39.714 -1.231 32.927 1.00 14.49 H new ATOM 0 HA3 GLY B 137 39.588 0.198 32.315 1.00 14.49 H new ATOM 1718 N GLY B 138 41.448 -0.919 31.018 1.00 15.07 N ATOM 1719 CA GLY B 138 42.654 -1.255 30.310 1.00 14.81 C ATOM 1720 C GLY B 138 43.656 -0.149 30.155 1.00 15.81 C ATOM 1721 O GLY B 138 44.845 -0.441 30.002 1.00 14.70 O ATOM 0 H GLY B 138 40.726 -1.011 30.560 1.00 15.07 H new ATOM 0 HA2 GLY B 138 43.083 -1.994 30.770 1.00 14.81 H new ATOM 0 HA3 GLY B 138 42.411 -1.574 29.427 1.00 14.81 H new ATOM 1722 N LEU B 139 43.195 1.104 30.122 1.00 13.12 N ATOM 1723 CA LEU B 139 44.109 2.225 29.950 1.00 12.67 C ATOM 1724 C LEU B 139 44.433 2.941 31.268 1.00 11.97 C ATOM 1725 O LEU B 139 44.954 4.034 31.263 1.00 11.52 O ATOM 1726 CB LEU B 139 43.543 3.233 28.941 1.00 13.00 C ATOM 1727 CG LEU B 139 43.237 2.677 27.542 1.00 13.58 C ATOM 1728 CD1 LEU B 139 42.734 3.837 26.651 1.00 14.06 C ATOM 1729 CD2 LEU B 139 44.454 2.008 26.875 1.00 14.24 C ATOM 0 H LEU B 139 42.366 1.320 30.197 1.00 13.12 H new ATOM 0 HA LEU B 139 44.938 1.851 29.613 1.00 12.67 H new ATOM 0 HB2 LEU B 139 42.727 3.608 29.307 1.00 13.00 H new ATOM 0 HB3 LEU B 139 44.175 3.963 28.849 1.00 13.00 H new ATOM 0 HG LEU B 139 42.562 1.988 27.642 1.00 13.58 H new ATOM 0 HD11 LEU B 139 42.536 3.501 25.763 1.00 14.06 H new ATOM 0 HD12 LEU B 139 41.930 4.218 27.038 1.00 14.06 H new ATOM 0 HD13 LEU B 139 43.419 4.521 26.592 1.00 14.06 H new ATOM 0 HD21 LEU B 139 44.202 1.678 25.999 1.00 14.24 H new ATOM 0 HD22 LEU B 139 45.169 2.656 26.782 1.00 14.24 H new ATOM 0 HD23 LEU B 139 44.758 1.268 27.424 1.00 14.24 H new ATOM 1730 N ALA B 140 44.140 2.300 32.405 1.00 11.59 N ATOM 1731 CA ALA B 140 44.314 2.955 33.703 1.00 12.11 C ATOM 1732 C ALA B 140 45.688 3.576 33.896 1.00 12.64 C ATOM 1733 O ALA B 140 45.814 4.647 34.490 1.00 13.04 O ATOM 1734 CB ALA B 140 44.071 1.957 34.864 1.00 12.65 C ATOM 0 H ALA B 140 43.842 1.494 32.445 1.00 11.59 H new ATOM 0 HA ALA B 140 43.657 3.669 33.714 1.00 12.11 H new ATOM 0 HB1 ALA B 140 44.191 2.412 35.712 1.00 12.65 H new ATOM 0 HB2 ALA B 140 43.167 1.610 34.809 1.00 12.65 H new ATOM 0 HB3 ALA B 140 44.703 1.224 34.798 1.00 12.65 H new ATOM 1735 N AGLU B 141 46.734 2.905 33.434 0.70 14.19 N ATOM 1736 N BGLU B 141 46.722 2.882 33.407 0.30 13.24 N ATOM 1737 CA AGLU B 141 48.088 3.450 33.646 0.70 15.89 C ATOM 1738 CA BGLU B 141 48.122 3.333 33.553 0.30 14.02 C ATOM 1739 C AGLU B 141 48.430 4.641 32.794 0.70 14.30 C ATOM 1740 C BGLU B 141 48.476 4.553 32.726 0.30 13.07 C ATOM 1741 O AGLU B 141 49.396 5.371 33.079 0.70 14.18 O ATOM 1742 O BGLU B 141 49.517 5.179 32.938 0.30 12.85 O ATOM 1743 CB AGLU B 141 49.145 2.353 33.434 0.70 18.30 C ATOM 1744 CB BGLU B 141 49.113 2.203 33.188 0.30 15.07 C ATOM 1745 CG AGLU B 141 49.016 1.217 34.452 0.70 21.29 C ATOM 1746 CG BGLU B 141 49.417 2.066 31.686 0.30 16.25 C ATOM 1747 CD AGLU B 141 49.688 1.549 35.759 0.70 24.18 C ATOM 1748 CD BGLU B 141 50.146 0.774 31.297 0.30 17.31 C ATOM 1749 OE1AGLU B 141 50.951 1.635 35.795 0.70 27.77 O ATOM 1750 OE1BGLU B 141 51.378 0.679 31.541 0.30 18.91 O ATOM 1751 OE2AGLU B 141 48.973 1.716 36.756 0.70 27.05 O ATOM 1752 OE2BGLU B 141 49.510 -0.138 30.706 0.30 16.95 O ATOM 0 H AGLU B 141 46.696 2.158 33.009 0.70 13.24 H new ATOM 0 H BGLU B 141 46.637 2.139 32.982 0.30 13.24 H new ATOM 0 HA AGLU B 141 48.092 3.765 34.564 0.70 14.02 H new ATOM 0 HA BGLU B 141 48.199 3.578 34.488 0.30 14.02 H new ATOM 0 HB2AGLU B 141 49.059 1.993 32.538 0.70 15.07 H new ATOM 0 HB2BGLU B 141 49.946 2.357 33.660 0.30 15.07 H new ATOM 0 HB3AGLU B 141 50.031 2.743 33.499 0.70 15.07 H new ATOM 0 HB3BGLU B 141 48.755 1.361 33.510 0.30 15.07 H new ATOM 0 HG2AGLU B 141 48.077 1.031 34.610 0.70 16.25 H new ATOM 0 HG2BGLU B 141 48.583 2.113 31.194 0.30 16.25 H new ATOM 0 HG3AGLU B 141 49.407 0.409 34.085 0.70 16.25 H new ATOM 0 HG3BGLU B 141 49.955 2.823 31.407 0.30 16.25 H new ATOM 1753 N HIS B 142 47.635 4.878 31.752 1.00 11.84 N ATOM 1754 CA HIS B 142 47.886 6.041 30.900 1.00 11.21 C ATOM 1755 C HIS B 142 47.544 7.357 31.567 1.00 10.55 C ATOM 1756 O HIS B 142 47.787 8.392 30.973 1.00 10.87 O ATOM 1757 CB HIS B 142 47.072 5.920 29.625 1.00 11.23 C ATOM 1758 CG HIS B 142 47.542 4.825 28.719 1.00 12.35 C ATOM 1759 ND1 HIS B 142 48.038 5.090 27.468 1.00 11.72 N ATOM 1760 CD2 HIS B 142 47.574 3.481 28.869 1.00 13.62 C ATOM 1761 CE1 HIS B 142 48.388 3.945 26.888 1.00 12.89 C ATOM 1762 NE2 HIS B 142 48.123 2.956 27.714 1.00 14.38 N ATOM 0 H AHIS B 142 46.962 4.393 31.525 0.70 11.84 H new ATOM 0 H BHIS B 142 46.917 4.443 31.566 0.30 11.84 H new ATOM 0 HA HIS B 142 48.838 6.047 30.714 1.00 11.21 H new ATOM 0 HB2 HIS B 142 46.143 5.763 29.856 1.00 11.23 H new ATOM 0 HB3 HIS B 142 47.106 6.763 29.147 1.00 11.23 H new ATOM 0 HD1 HIS B 142 48.111 5.871 27.115 1.00 11.72 H new ATOM 0 HD2 HIS B 142 47.282 3.001 29.610 1.00 13.62 H new ATOM 0 HE1 HIS B 142 48.759 3.858 26.039 1.00 12.89 H new ATOM 1763 N TYR B 143 46.946 7.330 32.753 1.00 10.14 N ATOM 1764 CA TYR B 143 46.512 8.537 33.451 1.00 9.33 C ATOM 1765 C TYR B 143 47.567 8.993 34.485 1.00 9.53 C ATOM 1766 O TYR B 143 47.356 9.950 35.234 1.00 11.14 O ATOM 1767 CB TYR B 143 45.107 8.332 34.060 1.00 10.10 C ATOM 1768 CG TYR B 143 44.132 8.141 32.962 1.00 9.60 C ATOM 1769 CD1 TYR B 143 43.540 9.225 32.296 1.00 9.34 C ATOM 1770 CD2 TYR B 143 43.816 6.873 32.537 1.00 10.14 C ATOM 1771 CE1 TYR B 143 42.655 9.022 31.270 1.00 10.41 C ATOM 1772 CE2 TYR B 143 42.956 6.651 31.471 1.00 10.76 C ATOM 1773 CZ TYR B 143 42.383 7.725 30.823 1.00 10.16 C ATOM 1774 OH TYR B 143 41.517 7.502 29.722 1.00 11.04 O ATOM 0 H TYR B 143 46.779 6.603 33.181 1.00 10.14 H new ATOM 0 HA TYR B 143 46.435 9.263 32.812 1.00 9.33 H new ATOM 0 HB2 TYR B 143 45.105 7.561 34.648 1.00 10.10 H new ATOM 0 HB3 TYR B 143 44.860 9.100 34.599 1.00 10.10 H new ATOM 0 HD1 TYR B 143 43.751 10.093 32.555 1.00 9.34 H new ATOM 0 HD2 TYR B 143 44.189 6.143 32.976 1.00 10.14 H new ATOM 0 HE1 TYR B 143 42.234 9.748 30.870 1.00 10.41 H new ATOM 0 HE2 TYR B 143 42.767 5.783 31.195 1.00 10.76 H new ATOM 0 HH TYR B 143 41.193 8.234 29.467 1.00 11.04 H new ATOM 1775 N ILE B 144 48.723 8.338 34.502 1.00 10.21 N ATOM 1776 CA ILE B 144 49.827 8.697 35.418 1.00 10.97 C ATOM 1777 C ILE B 144 50.736 9.772 34.811 1.00 10.74 C ATOM 1778 O ILE B 144 51.116 9.666 33.642 1.00 12.04 O ATOM 1779 CB ILE B 144 50.688 7.490 35.747 1.00 12.54 C ATOM 1780 CG1 ILE B 144 49.882 6.442 36.532 1.00 12.82 C ATOM 1781 CG2 ILE B 144 51.974 7.867 36.559 1.00 12.44 C ATOM 1782 CD1 ILE B 144 50.529 5.046 36.663 1.00 16.36 C ATOM 0 H ILE B 144 48.899 7.672 33.987 1.00 10.21 H new ATOM 0 HA ILE B 144 49.409 9.037 36.225 1.00 10.97 H new ATOM 0 HB ILE B 144 50.971 7.119 34.896 1.00 12.54 H new ATOM 0 HG12 ILE B 144 49.718 6.788 37.423 1.00 12.82 H new ATOM 0 HG13 ILE B 144 49.017 6.339 36.105 1.00 12.82 H new ATOM 0 HG21 ILE B 144 52.487 7.065 36.743 1.00 12.44 H new ATOM 0 HG22 ILE B 144 52.514 8.485 36.042 1.00 12.44 H new ATOM 0 HG23 ILE B 144 51.718 8.285 37.396 1.00 12.44 H new ATOM 0 HD11 ILE B 144 49.943 4.464 37.172 1.00 16.36 H new ATOM 0 HD12 ILE B 144 50.669 4.670 35.780 1.00 16.36 H new ATOM 0 HD13 ILE B 144 51.381 5.126 37.119 1.00 16.36 H new ATOM 1783 N LEU B 145 51.054 10.784 35.598 1.00 10.07 N ATOM 1784 CA LEU B 145 52.063 11.806 35.245 1.00 10.30 C ATOM 1785 C LEU B 145 53.211 11.557 36.205 1.00 11.44 C ATOM 1786 O LEU B 145 53.049 11.735 37.398 1.00 13.27 O ATOM 1787 CB LEU B 145 51.527 13.229 35.378 1.00 10.97 C ATOM 1788 CG LEU B 145 50.258 13.586 34.613 1.00 10.90 C ATOM 1789 CD1 LEU B 145 49.894 15.043 34.834 1.00 12.82 C ATOM 1790 CD2 LEU B 145 50.403 13.326 33.148 1.00 13.34 C ATOM 0 H LEU B 145 50.692 10.911 36.368 1.00 10.07 H new ATOM 0 HA LEU B 145 52.331 11.731 34.316 1.00 10.30 H new ATOM 0 HB2 LEU B 145 51.365 13.400 36.319 1.00 10.97 H new ATOM 0 HB3 LEU B 145 52.227 13.838 35.095 1.00 10.97 H new ATOM 0 HG LEU B 145 49.549 13.019 34.955 1.00 10.90 H new ATOM 0 HD11 LEU B 145 49.086 15.253 34.341 1.00 12.82 H new ATOM 0 HD12 LEU B 145 49.746 15.200 35.780 1.00 12.82 H new ATOM 0 HD13 LEU B 145 50.618 15.608 34.523 1.00 12.82 H new ATOM 0 HD21 LEU B 145 49.579 13.564 32.694 1.00 13.34 H new ATOM 0 HD22 LEU B 145 51.132 13.860 32.795 1.00 13.34 H new ATOM 0 HD23 LEU B 145 50.592 12.386 33.003 1.00 13.34 H new ATOM 1791 N ALYS B 146 54.334 11.129 35.663 0.60 12.24 N ATOM 1792 N BLYS B 146 54.374 11.162 35.700 0.40 11.76 N ATOM 1793 CA ALYS B 146 55.507 10.837 36.471 0.60 12.04 C ATOM 1794 CA BLYS B 146 55.521 10.863 36.588 0.40 11.22 C ATOM 1795 C ALYS B 146 56.317 12.106 36.630 0.60 11.34 C ATOM 1796 C BLYS B 146 56.372 12.099 36.783 0.40 10.63 C ATOM 1797 O ALYS B 146 56.525 12.866 35.672 0.60 10.82 O ATOM 1798 O BLYS B 146 56.369 13.003 35.943 0.40 9.75 O ATOM 1799 CB ALYS B 146 56.360 9.770 35.793 0.60 14.12 C ATOM 1800 CB BLYS B 146 56.405 9.764 36.006 0.40 12.75 C ATOM 1801 CG ALYS B 146 55.713 8.387 35.766 0.60 15.58 C ATOM 1802 CG BLYS B 146 57.094 8.913 37.077 0.40 13.70 C ATOM 1803 CD ALYS B 146 55.692 7.760 37.123 0.60 17.79 C ATOM 1804 CD BLYS B 146 55.997 8.090 37.784 0.40 15.10 C ATOM 1805 CE ALYS B 146 57.120 7.337 37.572 0.60 19.40 C ATOM 1806 CE BLYS B 146 56.437 7.164 38.887 0.40 15.03 C ATOM 1807 NZ ALYS B 146 57.383 7.720 38.971 0.60 19.60 N ATOM 1808 NZ BLYS B 146 55.394 6.092 39.088 0.40 16.11 N ATOM 0 H ALYS B 146 54.442 10.999 34.820 0.60 11.76 H new ATOM 0 H BLYS B 146 54.530 11.059 34.861 0.40 11.76 H new ATOM 0 HA ALYS B 146 55.228 10.508 37.340 0.60 11.22 H new ATOM 0 HA BLYS B 146 55.155 10.566 37.436 0.40 11.22 H new ATOM 0 HB2ALYS B 146 56.547 10.048 34.883 0.60 12.75 H new ATOM 0 HB2BLYS B 146 55.866 9.188 35.441 0.40 12.75 H new ATOM 0 HB3ALYS B 146 57.212 9.710 36.252 0.60 12.75 H new ATOM 0 HB3BLYS B 146 57.080 10.167 35.438 0.40 12.75 H new ATOM 0 HG2ALYS B 146 54.806 8.460 35.429 0.60 13.70 H new ATOM 0 HG2BLYS B 146 57.755 8.328 36.676 0.40 13.70 H new ATOM 0 HG3ALYS B 146 56.199 7.814 35.152 0.60 13.70 H new ATOM 0 HG3BLYS B 146 57.562 9.476 37.713 0.40 13.70 H new ATOM 0 HD2ALYS B 146 55.321 8.385 37.765 0.60 15.10 H new ATOM 0 HD2BLYS B 146 55.347 8.709 38.152 0.40 15.10 H new ATOM 0 HD3ALYS B 146 55.110 6.984 37.114 0.60 15.10 H new ATOM 0 HD3BLYS B 146 55.538 7.562 37.113 0.40 15.10 H new ATOM 0 HE2ALYS B 146 57.220 6.377 37.474 0.60 15.03 H new ATOM 0 HE2BLYS B 146 57.290 6.761 38.663 0.40 15.03 H new ATOM 0 HE3ALYS B 146 57.778 7.751 36.993 0.60 15.03 H new ATOM 0 HE3BLYS B 146 56.566 7.662 39.709 0.40 15.03 H new ATOM 0 HZ1ALYS B 146 58.260 7.711 39.122 0.60 16.11 H new ATOM 0 HZ1BLYS B 146 55.691 5.495 39.678 0.40 16.11 H new ATOM 0 HZ2ALYS B 146 57.065 8.538 39.120 0.60 16.11 H new ATOM 0 HZ2BLYS B 146 54.644 6.461 39.393 0.40 16.11 H new ATOM 0 HZ3ALYS B 146 56.982 7.143 39.517 0.60 16.11 H new ATOM 0 HZ3BLYS B 146 55.231 5.687 38.313 0.40 16.11 H new ATOM 1809 N ALYS B 147 56.868 12.317 37.842 0.50 10.95 N ATOM 1810 N BLYS B 147 57.146 12.162 37.870 0.50 9.48 N ATOM 1811 CA ALYS B 147 57.866 13.356 38.075 0.50 12.53 C ATOM 1812 CA BLYS B 147 58.083 13.244 37.969 0.50 11.45 C ATOM 1813 C ALYS B 147 58.965 13.277 37.028 0.50 12.51 C ATOM 1814 C BLYS B 147 58.966 13.227 36.800 0.50 12.20 C ATOM 1815 O ALYS B 147 59.482 12.193 36.788 0.50 12.76 O ATOM 1816 O BLYS B 147 59.314 12.184 36.204 0.50 11.84 O ATOM 1817 CB ALYS B 147 58.502 13.130 39.439 0.50 12.72 C ATOM 1818 CB BLYS B 147 58.966 13.080 39.141 0.50 12.82 C ATOM 1819 CG ALYS B 147 57.912 13.836 40.529 0.50 15.18 C ATOM 1820 CG BLYS B 147 58.348 13.511 40.285 0.50 13.16 C ATOM 1821 CD ALYS B 147 58.297 15.322 40.533 0.50 14.15 C ATOM 1822 CD BLYS B 147 59.341 13.760 41.363 0.50 13.89 C ATOM 1823 CE ALYS B 147 57.891 15.931 41.867 0.50 13.84 C ATOM 1824 CE BLYS B 147 58.622 14.181 42.586 0.50 13.01 C ATOM 1825 NZ ALYS B 147 58.913 15.858 42.935 0.50 13.01 N ATOM 1826 NZ BLYS B 147 59.258 13.668 43.856 0.50 10.56 N ATOM 0 H ALYS B 147 56.668 11.859 38.542 0.50 9.48 H new ATOM 0 H BLYS B 147 57.137 11.607 38.527 0.50 9.48 H new ATOM 0 HA ALYS B 147 57.432 14.222 38.030 0.50 11.45 H new ATOM 0 HA BLYS B 147 57.570 14.065 38.037 0.50 11.45 H new ATOM 0 HB2ALYS B 147 58.471 12.181 39.637 0.50 12.82 H new ATOM 0 HB2BLYS B 147 59.214 12.147 39.235 0.50 12.82 H new ATOM 0 HB3ALYS B 147 59.438 13.378 39.385 0.50 12.82 H new ATOM 0 HB3BLYS B 147 59.786 13.579 39.005 0.50 12.82 H new ATOM 0 HG2ALYS B 147 56.947 13.754 40.481 0.50 13.16 H new ATOM 0 HG2BLYS B 147 57.852 14.325 40.102 0.50 13.16 H new ATOM 0 HG3ALYS B 147 58.190 13.429 41.364 0.50 13.16 H new ATOM 0 HG3BLYS B 147 57.705 12.847 40.579 0.50 13.16 H new ATOM 0 HD2ALYS B 147 59.252 15.422 40.395 0.50 13.89 H new ATOM 0 HD2BLYS B 147 59.857 12.957 41.536 0.50 13.89 H new ATOM 0 HD3ALYS B 147 57.855 15.785 39.804 0.50 13.89 H new ATOM 0 HD3BLYS B 147 59.969 14.447 41.089 0.50 13.89 H new ATOM 0 HE2ALYS B 147 57.661 16.862 41.724 0.50 13.01 H new ATOM 0 HE2BLYS B 147 58.588 15.150 42.617 0.50 13.01 H new ATOM 0 HE3ALYS B 147 57.088 15.485 42.178 0.50 13.01 H new ATOM 0 HE3BLYS B 147 57.706 13.866 42.540 0.50 13.01 H new ATOM 0 HZ1ALYS B 147 58.526 15.986 43.726 0.50 10.56 H new ATOM 0 HZ1BLYS B 147 58.703 13.797 44.539 0.50 10.56 H new ATOM 0 HZ2ALYS B 147 59.300 15.057 42.921 0.50 10.56 H new ATOM 0 HZ2BLYS B 147 59.429 12.798 43.773 0.50 10.56 H new ATOM 0 HZ3ALYS B 147 59.528 16.487 42.801 0.50 10.56 H new ATOM 0 HZ3BLYS B 147 60.018 14.106 44.005 0.50 10.56 H new ATOM 1827 N LYS B 148 59.347 14.423 36.435 1.00 13.35 N ATOM 1828 CA LYS B 148 60.307 14.482 35.347 1.00 15.46 C ATOM 1829 C LYS B 148 61.635 13.883 35.778 1.00 17.23 C ATOM 1830 O LYS B 148 62.100 14.100 36.900 1.00 17.15 O ATOM 1831 CB LYS B 148 60.511 15.922 34.921 1.00 15.99 C ATOM 1832 CG LYS B 148 61.368 16.019 33.680 1.00 17.39 C ATOM 1833 CD LYS B 148 61.312 17.392 33.112 1.00 18.93 C ATOM 1834 CE LYS B 148 62.122 17.524 31.834 1.00 20.44 C ATOM 1835 NZ LYS B 148 61.438 16.793 30.711 1.00 21.60 N ATOM 0 H ALYS B 148 59.043 15.194 36.667 0.50 13.35 H new ATOM 0 H BLYS B 148 59.089 15.172 36.771 0.50 13.35 H new ATOM 0 HA LYS B 148 59.961 13.970 34.599 1.00 15.46 H new ATOM 0 HB2 LYS B 148 59.650 16.336 34.754 1.00 15.99 H new ATOM 0 HB3 LYS B 148 60.928 16.418 35.643 1.00 15.99 H new ATOM 0 HG2 LYS B 148 62.286 15.790 33.896 1.00 17.39 H new ATOM 0 HG3 LYS B 148 61.063 15.377 33.019 1.00 17.39 H new ATOM 0 HD2 LYS B 148 60.388 17.627 32.932 1.00 18.93 H new ATOM 0 HD3 LYS B 148 61.643 18.025 33.769 1.00 18.93 H new ATOM 0 HE2 LYS B 148 62.226 18.461 31.604 1.00 20.44 H new ATOM 0 HE3 LYS B 148 63.013 17.164 31.969 1.00 20.44 H new ATOM 0 HZ1 LYS B 148 61.817 17.015 29.937 1.00 21.60 H new ATOM 0 HZ2 LYS B 148 61.515 15.915 30.837 1.00 21.60 H new ATOM 0 HZ3 LYS B 148 60.576 17.015 30.693 1.00 21.60 H new ATOM 1836 N GLY B 149 62.173 13.099 34.871 1.00 23.11 N ATOM 1837 CA GLY B 149 63.451 12.411 35.083 1.00 26.58 C ATOM 1838 C GLY B 149 63.199 10.970 35.456 1.00 29.19 C ATOM 1839 O GLY B 149 64.135 10.200 35.656 1.00 29.83 O ATOM 0 H GLY B 149 61.814 12.942 34.106 1.00 23.11 H new ATOM 0 HA2 GLY B 149 63.990 12.456 34.278 1.00 26.58 H new ATOM 0 HA3 GLY B 149 63.953 12.853 35.785 1.00 26.58 H new HETATM 1840 N AMSE B 150 61.936 10.613 35.675 0.34 31.62 N HETATM 1841 N BMSE B 150 61.926 10.586 35.462 0.66 28.30 N HETATM 1842 CA AMSE B 150 61.592 9.257 36.093 0.34 33.68 C HETATM 1843 CA BMSE B 150 61.549 9.221 35.773 0.66 27.76 C HETATM 1844 C AMSE B 150 60.417 8.738 35.273 0.34 34.15 C HETATM 1845 C BMSE B 150 60.677 8.602 34.723 0.66 29.09 C HETATM 1846 O AMSE B 150 59.443 8.168 35.771 0.34 34.86 O HETATM 1847 O BMSE B 150 60.752 7.378 34.600 0.66 30.74 O HETATM 1848 OXTAMSE B 150 60.459 8.874 34.047 0.34 34.82 O HETATM 1849 OXTBMSE B 150 59.897 9.292 34.049 0.66 30.87 O HETATM 1850 CB AMSE B 150 61.323 9.238 37.599 0.34 34.92 C HETATM 1851 CB BMSE B 150 60.807 9.223 37.064 0.66 24.90 C HETATM 1852 CG AMSE B 150 62.629 9.316 38.406 0.34 35.87 C HETATM 1853 CG BMSE B 150 61.568 10.027 38.047 0.66 23.14 C HETATM 1854 SE AMSE B 150 62.571 10.325 40.063 0.25 37.73 SE HETATM 1855 SE BMSE B 150 61.015 9.311 39.687 0.50 17.67 SE HETATM 1856 CE AMSE B 150 61.552 11.851 39.443 0.34 36.39 C HETATM 1857 CE BMSE B 150 61.896 10.563 40.906 0.66 18.60 C HETATM 0 H AMSE B 150 61.263 11.141 35.587 0.34 28.30 H new HETATM 0 H BMSE B 150 61.265 11.108 35.287 0.66 28.30 H new HETATM 0 HA AMSE B 150 62.335 8.656 35.926 0.34 27.76 H new HETATM 0 HA BMSE B 150 62.363 8.695 35.821 0.66 27.76 H new HETATM 0 HB2AMSE B 150 60.750 9.984 37.836 0.34 24.90 H new HETATM 0 HB2BMSE B 150 59.919 9.594 36.941 0.66 24.90 H new HETATM 0 HB3AMSE B 150 60.845 8.427 37.833 0.34 24.90 H new HETATM 0 HB3BMSE B 150 60.693 8.316 37.388 0.66 24.90 H new HETATM 0 HG2AMSE B 150 62.912 8.411 38.612 0.34 23.14 H new HETATM 0 HG2BMSE B 150 62.526 9.938 37.920 0.66 23.14 H new HETATM 0 HG3AMSE B 150 63.313 9.705 37.838 0.34 23.14 H new HETATM 0 HG3BMSE B 150 61.359 10.972 37.978 0.66 23.14 H new HETATM 0 HE1AMSE B 150 61.428 12.476 40.174 0.34 18.60 H new HETATM 0 HE1BMSE B 150 61.698 10.316 41.823 0.66 18.60 H new HETATM 0 HE2AMSE B 150 62.031 12.289 38.722 0.34 18.60 H new HETATM 0 HE2BMSE B 150 62.855 10.533 40.764 0.66 18.60 H new HETATM 0 HE3AMSE B 150 60.686 11.554 39.122 0.34 18.60 H new HETATM 0 HE3BMSE B 150 61.572 11.462 40.737 0.66 18.60 H new TER 1858 MSE B 150 HETATM 1859 S SO4 A 1 46.029 11.665 7.192 1.00 56.47 S HETATM 1860 O1 SO4 A 1 46.860 10.546 6.712 1.00 55.99 O HETATM 1861 O2 SO4 A 1 44.758 11.154 7.710 1.00 55.11 O HETATM 1862 O3 SO4 A 1 45.709 12.560 6.066 1.00 56.82 O HETATM 1863 O4 SO4 A 1 46.787 12.442 8.204 1.00 56.30 O HETATM 1864 C1 AGOL A 2 39.277 2.863 25.224 0.50 18.26 C HETATM 1865 C1 BGOL A 2 39.436 2.490 25.322 0.50 19.72 C HETATM 1866 O1 AGOL A 2 39.578 2.973 23.871 0.50 16.37 O HETATM 1867 O1 BGOL A 2 39.512 2.562 23.937 0.50 18.30 O HETATM 1868 C2 AGOL A 2 39.410 1.424 25.703 0.50 19.76 C HETATM 1869 C2 BGOL A 2 39.256 1.049 25.783 0.50 20.68 C HETATM 1870 O2 AGOL A 2 40.619 0.874 25.244 0.50 20.44 O HETATM 1871 O2 BGOL A 2 40.459 0.328 25.666 0.50 21.71 O HETATM 1872 C3 AGOL A 2 39.412 1.419 27.225 0.50 20.95 C HETATM 1873 C3 BGOL A 2 38.892 1.098 27.253 0.50 21.75 C HETATM 1874 O3 AGOL A 2 38.111 1.666 27.708 0.50 21.74 O HETATM 1875 O3 BGOL A 2 38.844 -0.211 27.718 0.50 22.19 O HETATM 0 HO3AGOL A 2 38.142 2.252 28.309 0.50 22.19 H new HETATM 0 HO3BGOL A 2 38.046 -0.473 27.736 0.50 22.19 H new HETATM 0 HO2AGOL A 2 40.980 1.404 24.702 0.50 21.71 H new HETATM 0 HO2BGOL A 2 40.522 -0.217 26.302 0.50 21.71 H new HETATM 0 HO1AGOL A 2 38.901 2.771 23.416 0.50 18.30 H new HETATM 0 HO1BGOL A 2 40.067 1.997 23.657 0.50 18.30 H new HETATM 0 H32AGOL A 2 39.730 0.563 27.553 0.50 21.75 H new HETATM 0 H32BGOL A 2 39.548 1.612 27.749 0.50 21.75 H new HETATM 0 H31AGOL A 2 40.023 2.095 27.558 0.50 21.75 H new HETATM 0 H31BGOL A 2 38.035 1.535 27.377 0.50 21.75 H new HETATM 0 H2 AGOL A 2 38.670 0.898 25.360 0.50 20.68 H new HETATM 0 H2 BGOL A 2 38.577 0.617 25.241 0.50 20.68 H new HETATM 0 H12AGOL A 2 39.870 3.433 25.737 0.50 19.72 H new HETATM 0 H12BGOL A 2 40.243 2.860 25.714 0.50 19.72 H new HETATM 0 H11AGOL A 2 38.373 3.177 25.383 0.50 19.72 H new HETATM 0 H11BGOL A 2 38.694 3.029 25.637 0.50 19.72 H new HETATM 1876 C1 AGOL B 3 49.254 8.005 23.145 0.60 19.73 C HETATM 1877 C1 BGOL B 3 48.926 7.497 23.251 0.40 16.57 C HETATM 1878 O1 AGOL B 3 50.458 7.518 22.603 0.60 20.89 O HETATM 1879 O1 BGOL B 3 49.254 8.807 22.837 0.40 16.50 O HETATM 1880 C2 AGOL B 3 49.223 7.708 24.629 0.60 19.66 C HETATM 1881 C2 BGOL B 3 49.037 7.265 24.766 0.40 16.34 C HETATM 1882 O2 AGOL B 3 49.355 6.327 24.877 0.60 20.44 O HETATM 1883 O2 BGOL B 3 48.976 5.878 25.022 0.40 17.29 O HETATM 1884 C3 AGOL B 3 47.898 8.178 25.175 0.60 18.84 C HETATM 1885 C3 BGOL B 3 47.939 7.957 25.559 0.40 15.49 C HETATM 1886 O3 AGOL B 3 47.823 7.951 26.562 0.60 17.63 O HETATM 1887 O3 BGOL B 3 47.935 7.558 26.916 0.40 14.96 O HETATM 0 HO3AGOL B 3 48.365 8.456 26.958 0.60 14.96 H new HETATM 0 HO3BGOL B 3 48.393 8.098 27.368 0.40 14.96 H new HETATM 0 HO2AGOL B 3 49.608 6.207 25.669 0.60 17.29 H new HETATM 0 HO2BGOL B 3 49.729 5.606 25.276 0.40 17.29 H new HETATM 0 HO1AGOL B 3 50.724 6.862 23.056 0.60 16.50 H new HETATM 0 HO1BGOL B 3 48.651 9.100 22.331 0.40 16.50 H new HETATM 0 H32AGOL B 3 47.784 9.123 24.991 0.60 15.49 H new HETATM 0 H32BGOL B 3 48.059 8.918 25.505 0.40 15.49 H new HETATM 0 H31AGOL B 3 47.175 7.712 24.727 0.60 15.49 H new HETATM 0 H31BGOL B 3 47.078 7.756 25.161 0.40 15.49 H new HETATM 0 H2 AGOL B 3 49.963 8.165 25.057 0.60 16.34 H new HETATM 0 H2 BGOL B 3 49.882 7.645 25.052 0.40 16.34 H new HETATM 0 H12AGOL B 3 49.181 8.960 22.993 0.60 16.57 H new HETATM 0 H12BGOL B 3 48.019 7.298 22.970 0.40 16.57 H new HETATM 0 H11AGOL B 3 48.496 7.589 22.705 0.60 16.57 H new HETATM 0 H11BGOL B 3 49.509 6.870 22.795 0.40 16.57 H new HETATM 1888 O HOH A 4 30.422 0.328 -4.782 1.00 7.68 O HETATM 1889 O HOH A 5 30.492 2.191 5.810 1.00 8.46 O HETATM 1890 O HOH A 6 44.783 9.112 22.891 1.00 8.86 O HETATM 1891 O HOH A 7 43.248 13.065 29.286 1.00 8.94 O HETATM 1892 O HOH A 8 30.032 11.958 -2.893 1.00 8.96 O HETATM 1893 O HOH A 11 47.210 7.291 19.939 1.00 9.99 O HETATM 1894 O HOH A 14 24.017 -1.468 10.471 1.00 10.44 O HETATM 1895 O HOH A 16 24.458 11.119 1.780 1.00 11.22 O HETATM 1896 O HOH A 18 41.990 7.999 13.115 1.00 11.52 O HETATM 1897 O HOH A 19 46.889 15.500 12.751 1.00 11.56 O HETATM 1898 O HOH A 20 18.965 5.063 6.391 1.00 11.66 O HETATM 1899 O HOH A 21 35.676 9.262 -1.367 1.00 11.96 O HETATM 1900 O HOH A 151 36.728 14.239 15.710 1.00 12.64 O HETATM 1901 O HOH A 152 31.227 -1.806 21.881 1.00 33.17 O HETATM 1902 O HOH A 153 41.805 -1.214 26.968 1.00 33.19 O HETATM 1903 O HOH A 154 39.547 -1.486 23.960 1.00 33.19 O HETATM 1904 O HOH A 155 22.604 1.873 1.575 1.00 33.58 O HETATM 1905 O HOH A 156 40.877 15.184 3.406 1.00 33.58 O HETATM 1906 O HOH A 157 35.949 -5.331 3.635 1.00 33.63 O HETATM 1907 O HOH A 158 36.406 12.380 26.829 1.00 12.92 O HETATM 1908 O HOH A 159 22.943 5.007 17.924 1.00 12.93 O HETATM 1909 O HOH A 160 39.732 11.119 2.331 1.00 33.94 O HETATM 1910 O HOH A 161 26.066 6.713 37.480 1.00 34.02 O HETATM 1911 O HOH A 162 26.737 2.887 23.377 1.00 13.09 O HETATM 1912 O HOH A 163 37.557 16.989 4.732 1.00 34.13 O HETATM 1913 O HOH A 164 31.407 12.746 19.667 1.00 34.15 O HETATM 1914 O HOH A 165 36.780 -3.536 7.223 1.00 34.19 O HETATM 1915 O HOH A 166 27.535 10.144 36.414 1.00 13.67 O HETATM 1916 O HOH A 167 40.604 -1.160 10.115 1.00 34.36 O HETATM 1917 O HOH A 168 43.384 5.940 14.146 1.00 13.72 O HETATM 1918 O HOH A 169 47.046 18.153 8.280 1.00 34.53 O HETATM 1919 O HOH A 170 37.316 4.112 8.038 1.00 14.81 O HETATM 1920 O HOH A 171 30.948 -3.574 16.276 1.00 34.63 O HETATM 1921 O HOH A 172 36.800 1.584 19.397 1.00 14.91 O HETATM 1922 O HOH A 173 47.714 11.870 15.150 1.00 15.61 O HETATM 1923 O HOH A 174 26.262 22.023 15.179 1.00 34.79 O HETATM 1924 O HOH A 175 33.217 16.492 6.801 1.00 15.86 O HETATM 1925 O HOH A 176 26.765 16.611 3.113 1.00 15.98 O HETATM 1926 O HOH A 177 42.671 11.011 5.990 1.00 34.98 O HETATM 1927 O HOH A 178 49.129 1.789 17.453 1.00 35.10 O HETATM 1928 O HOH A 179 29.387 21.476 5.930 1.00 35.32 O HETATM 1929 O HOH A 180 26.240 4.527 -0.972 1.00 16.18 O HETATM 1930 O HOH A 181 20.489 3.295 9.204 1.00 16.23 O HETATM 1931 O HOH A 182 34.764 11.459 22.330 1.00 16.24 O HETATM 1932 O HOH A 183 49.368 4.439 13.781 1.00 35.96 O HETATM 1933 O HOH A 184 28.353 4.876 37.933 1.00 36.08 O HETATM 1934 O HOH A 185 38.607 5.346 3.396 1.00 36.08 O HETATM 1935 O HOH A 186 35.026 10.820 -9.424 1.00 36.10 O HETATM 1936 O HOH A 187 18.964 10.590 20.700 1.00 36.44 O HETATM 1937 O HOH A 188 30.998 8.464 21.604 1.00 16.71 O HETATM 1938 O HOH A 189 38.081 16.904 28.054 1.00 36.55 O HETATM 1939 O HOH A 190 22.021 8.783 0.798 1.00 16.92 O HETATM 1940 O HOH A 191 18.652 3.276 19.472 1.00 36.99 O HETATM 1941 O HOH A 192 24.943 -3.922 10.721 1.00 16.95 O HETATM 1942 O HOH A 193 36.486 6.203 34.961 1.00 17.30 O HETATM 1943 O HOH A 194 24.122 -1.426 7.724 1.00 17.84 O HETATM 1944 O HOH A 195 42.493 16.636 6.577 1.00 37.91 O HETATM 1945 O HOH A 196 36.361 7.400 2.903 1.00 18.48 O HETATM 1946 O HOH A 197 35.034 -3.573 10.572 1.00 38.91 O HETATM 1947 O HOH A 198 18.377 14.853 7.434 1.00 38.92 O HETATM 1948 O HOH A 199 45.818 -1.039 23.066 1.00 39.12 O HETATM 1949 O HOH A 200 22.193 1.059 21.756 1.00 39.17 O HETATM 1950 O HOH A 201 18.150 14.237 13.458 1.00 39.22 O HETATM 1951 O HOH A 202 49.715 2.899 15.471 1.00 39.51 O HETATM 1952 O HOH A 203 34.484 12.658 24.752 1.00 18.81 O HETATM 1953 O HOH A 204 25.426 -2.846 5.784 1.00 19.03 O HETATM 1954 O HOH A 205 33.499 -2.883 17.634 1.00 40.68 O HETATM 1955 O HOH A 206 22.253 -0.326 5.110 1.00 19.21 O HETATM 1956 O HOH A 207 30.708 9.985 33.677 1.00 19.27 O HETATM 1957 O HOH A 208 26.057 -6.960 18.261 1.00 41.32 O HETATM 1958 O HOH A 209 38.790 3.729 5.700 1.00 20.42 O HETATM 1959 O HOH A 210 20.034 5.306 18.197 1.00 41.43 O HETATM 1960 O HOH A 211 52.389 3.393 18.253 1.00 41.53 O HETATM 1961 O HOH A 212 26.122 14.909 1.062 1.00 22.01 O HETATM 1962 O HOH A 213 36.220 17.380 18.417 1.00 41.74 O HETATM 1963 O HOH A 214 23.440 -0.964 19.526 1.00 42.14 O HETATM 1964 O HOH A 215 20.966 9.963 28.254 1.00 22.04 O HETATM 1965 O HOH A 216 38.918 -1.537 29.952 1.00 22.53 O HETATM 1966 O HOH A 217 32.853 7.836 33.659 1.00 22.88 O HETATM 1967 O HOH A 218 33.222 -1.202 32.386 1.00 43.11 O HETATM 1968 O HOH A 219 29.411 17.581 0.537 1.00 43.28 O HETATM 1969 O HOH A 220 38.553 13.888 2.195 1.00 22.97 O HETATM 1970 O HOH A 221 43.637 -1.550 25.560 1.00 44.51 O HETATM 1971 O HOH A 222 21.515 12.594 2.167 1.00 23.34 O HETATM 1972 O HOH A 223 33.953 -9.748 11.585 1.00 45.57 O HETATM 1973 O HOH A 224 45.994 1.026 19.096 1.00 23.50 O HETATM 1974 O HOH A 225 18.631 12.152 14.139 1.00 23.52 O HETATM 1975 O HOH A 226 29.860 14.820 -0.680 1.00 24.64 O HETATM 1976 O HOH A 227 37.897 1.027 4.508 1.00 24.92 O HETATM 1977 O HOH A 228 22.154 2.173 28.640 1.00 49.03 O HETATM 1978 O HOH A 229 41.411 2.934 6.315 1.00 49.99 O HETATM 1979 O HOH A 230 25.141 -4.160 2.998 1.00 24.98 O HETATM 1980 O HOH A 231 36.709 16.976 15.446 1.00 25.00 O HETATM 1981 O HOH A 232 36.097 12.995 29.579 1.00 25.03 O HETATM 1982 O HOH A 233 47.737 11.253 10.298 1.00 25.16 O HETATM 1983 O HOH A 234 20.894 8.617 20.628 1.00 25.20 O HETATM 1984 O HOH A 235 38.750 0.043 21.702 1.00 25.30 O HETATM 1985 O HOH A 236 34.820 20.037 13.745 1.00 25.32 O HETATM 1986 O HOH A 237 39.563 21.031 10.406 1.00 25.45 O HETATM 1987 O HOH A 238 30.926 1.844 33.770 1.00 25.87 O HETATM 1988 O HOH A 239 32.299 10.828 21.394 1.00 26.17 O HETATM 1989 O HOH A 240 42.357 17.271 17.394 1.00 26.25 O HETATM 1990 O HOH A 241 34.027 19.929 8.817 1.00 26.96 O HETATM 1991 O HOH A 242 35.030 19.623 2.113 1.00 27.28 O HETATM 1992 O HOH A 243 44.245 4.144 11.974 1.00 27.28 O HETATM 1993 O HOH A 244 35.391 -1.372 17.063 1.00 27.44 O HETATM 1994 O HOH A 245 32.257 18.806 5.799 1.00 27.75 O HETATM 1995 O HOH A 246 39.995 16.013 30.980 1.00 27.84 O HETATM 1996 O HOH A 247 22.986 17.142 6.555 1.00 27.99 O HETATM 1997 O HOH A 248 37.467 15.124 30.490 1.00 28.46 O HETATM 1998 O HOH A 249 36.314 -1.198 20.501 1.00 28.60 O HETATM 1999 O HOH A 250 30.877 20.418 7.522 1.00 28.84 O HETATM 2000 O HOH A 251 37.062 17.099 0.591 1.00 28.99 O HETATM 2001 O HOH A 252 41.308 1.414 9.832 1.00 29.15 O HETATM 2002 O HOH A 253 31.439 11.168 17.898 1.00 29.41 O HETATM 2003 O HOH A 254 31.411 14.331 -3.528 1.00 29.56 O HETATM 2004 O HOH A 255 22.933 -7.539 19.055 1.00 29.77 O HETATM 2005 O HOH A 256 36.008 17.106 6.996 1.00 30.62 O HETATM 2006 O HOH A 257 29.029 0.010 21.636 1.00 31.03 O HETATM 2007 O HOH A 258 36.237 3.379 1.690 1.00 31.06 O HETATM 2008 O HOH A 259 15.420 12.239 9.181 1.00 31.09 O HETATM 2009 O HOH A 260 35.666 14.163 18.153 1.00 31.41 O HETATM 2010 O HOH A 261 22.133 3.903 20.292 1.00 31.70 O HETATM 2011 O HOH A 262 20.485 15.165 2.873 1.00 32.02 O HETATM 2012 O HOH A 263 36.765 -0.353 29.071 1.00 32.14 O HETATM 2013 O HOH A 264 24.159 16.931 4.677 1.00 32.19 O HETATM 2014 O HOH A 265 47.992 12.895 12.632 1.00 32.26 O HETATM 2015 O HOH A 266 35.637 13.845 20.991 1.00 32.46 O HETATM 2016 O HOH A 267 26.143 0.586 24.549 1.00 32.47 O HETATM 2017 O HOH A 268 29.973 11.760 23.490 1.00 32.88 O HETATM 2018 O HOH A 269 23.851 15.428 0.019 1.00 32.96 O HETATM 2019 O HOH B 9 46.099 13.702 16.399 1.00 9.96 O HETATM 2020 O HOH B 10 57.604 12.042 54.836 1.00 9.97 O HETATM 2021 O HOH B 12 40.070 5.771 28.023 1.00 10.28 O HETATM 2022 O HOH B 13 39.997 15.115 36.544 1.00 10.40 O HETATM 2023 O HOH B 15 54.567 13.673 44.695 1.00 11.03 O HETATM 2024 O HOH B 17 42.913 7.382 37.999 1.00 11.25 O HETATM 2025 O HOH B 22 36.845 9.620 22.148 1.00 12.21 O HETATM 2026 O HOH B 23 40.742 2.474 30.850 1.00 12.25 O HETATM 2027 O HOH B 24 40.484 15.136 24.979 1.00 12.60 O HETATM 2028 O HOH B 151 52.757 9.096 16.427 1.00 33.15 O HETATM 2029 O HOH B 152 47.713 18.168 55.048 1.00 12.85 O HETATM 2030 O HOH B 153 53.486 19.386 27.744 1.00 12.93 O HETATM 2031 O HOH B 154 44.079 5.180 36.618 1.00 13.71 O HETATM 2032 O HOH B 155 46.856 12.044 52.740 1.00 13.89 O HETATM 2033 O HOH B 156 60.397 18.316 39.562 1.00 14.50 O HETATM 2034 O HOH B 157 50.508 22.915 50.426 1.00 14.62 O HETATM 2035 O HOH B 158 43.944 17.753 30.400 1.00 33.84 O HETATM 2036 O HOH B 159 36.512 15.540 44.475 1.00 33.86 O HETATM 2037 O HOH B 160 57.739 25.099 45.038 1.00 15.11 O HETATM 2038 O HOH B 161 49.353 8.907 42.489 1.00 15.48 O HETATM 2039 O HOH B 162 38.501 22.424 31.839 1.00 34.12 O HETATM 2040 O HOH B 163 54.044 22.933 33.506 1.00 15.59 O HETATM 2041 O HOH B 164 35.298 12.168 34.358 1.00 15.60 O HETATM 2042 O HOH B 165 42.282 15.770 29.549 1.00 15.72 O HETATM 2043 O HOH B 166 51.069 7.294 28.360 1.00 34.32 O HETATM 2044 O HOH B 167 41.073 16.739 27.257 1.00 17.04 O HETATM 2045 O HOH B 168 40.554 24.238 42.720 1.00 34.51 O HETATM 2046 O HOH B 169 50.543 9.213 30.960 1.00 17.21 O HETATM 2047 O HOH B 170 39.178 19.682 47.338 1.00 34.58 O HETATM 2048 O HOH B 171 46.552 17.720 30.183 1.00 17.40 O HETATM 2049 O HOH B 172 37.531 15.518 26.090 1.00 34.66 O HETATM 2050 O HOH B 173 52.930 19.429 15.465 1.00 34.69 O HETATM 2051 O HOH B 174 61.894 16.407 38.650 1.00 17.55 O HETATM 2052 O HOH B 175 52.426 3.875 39.543 1.00 34.82 O HETATM 2053 O HOH B 176 45.189 27.400 46.917 1.00 34.83 O HETATM 2054 O HOH B 177 40.886 18.314 45.796 1.00 17.91 O HETATM 2055 O HOH B 178 61.006 17.655 42.132 1.00 17.94 O HETATM 2056 O HOH B 179 47.652 10.765 48.284 1.00 18.34 O HETATM 2057 O HOH B 180 48.731 0.432 27.043 1.00 35.40 O HETATM 2058 O HOH B 181 55.696 12.772 28.322 1.00 35.85 O HETATM 2059 O HOH B 182 43.840 15.588 57.135 1.00 35.93 O HETATM 2060 O HOH B 183 47.002 0.902 31.285 1.00 20.00 O HETATM 2061 O HOH B 184 44.116 23.630 49.816 1.00 21.33 O HETATM 2062 O HOH B 185 41.139 11.672 49.536 1.00 22.33 O HETATM 2063 O HOH B 186 61.599 15.427 44.009 1.00 23.03 O HETATM 2064 O HOH B 187 49.226 7.210 44.716 1.00 23.50 O HETATM 2065 O HOH B 188 43.449 -1.723 35.263 1.00 36.51 O HETATM 2066 O HOH B 189 34.089 7.318 35.828 1.00 23.69 O HETATM 2067 O HOH B 190 46.613 12.986 60.694 1.00 36.61 O HETATM 2068 O HOH B 191 62.847 15.042 46.381 1.00 23.85 O HETATM 2069 O HOH B 192 55.952 9.932 32.060 1.00 37.07 O HETATM 2070 O HOH B 193 36.542 20.259 34.285 1.00 37.15 O HETATM 2071 O HOH B 194 56.388 12.674 25.637 1.00 37.18 O HETATM 2072 O HOH B 195 46.455 23.341 51.627 1.00 23.89 O HETATM 2073 O HOH B 196 43.313 22.137 17.797 1.00 38.23 O HETATM 2074 O HOH B 197 29.455 13.049 38.199 1.00 24.81 O HETATM 2075 O HOH B 198 40.156 15.884 22.246 1.00 25.56 O HETATM 2076 O HOH B 199 45.399 20.989 53.376 1.00 26.01 O HETATM 2077 O HOH B 200 45.068 3.441 38.525 1.00 26.25 O HETATM 2078 O HOH B 201 52.021 6.473 45.167 1.00 26.32 O HETATM 2079 O HOH B 202 49.363 4.573 40.230 1.00 27.43 O HETATM 2080 O HOH B 203 58.412 5.117 45.542 1.00 39.65 O HETATM 2081 O HOH B 204 54.279 26.669 38.334 1.00 39.79 O HETATM 2082 O HOH B 205 57.902 12.041 33.423 1.00 27.80 O HETATM 2083 O HOH B 206 59.994 12.739 32.130 1.00 41.03 O HETATM 2084 O HOH B 207 51.559 4.652 24.069 1.00 41.16 O HETATM 2085 O HOH B 208 54.889 15.630 28.669 1.00 28.11 O HETATM 2086 O HOH B 209 35.511 20.210 43.344 1.00 41.35 O HETATM 2087 O HOH B 210 53.002 8.743 29.568 1.00 28.45 O HETATM 2088 O HOH B 211 39.827 27.578 34.354 1.00 28.72 O HETATM 2089 O HOH B 212 48.475 8.184 47.158 1.00 41.67 O HETATM 2090 O HOH B 213 42.967 9.681 48.903 1.00 29.46 O HETATM 2091 O HOH B 214 38.815 14.421 47.340 1.00 29.63 O HETATM 2092 O HOH B 215 38.834 15.241 44.952 1.00 42.23 O HETATM 2093 O HOH B 216 54.093 10.175 22.576 1.00 42.82 O HETATM 2094 O HOH B 217 50.966 7.611 48.569 1.00 42.83 O HETATM 2095 O HOH B 218 46.163 -3.241 30.590 1.00 30.10 O HETATM 2096 O HOH B 219 50.847 29.673 38.562 1.00 30.37 O HETATM 2097 O HOH B 220 54.153 6.259 34.021 1.00 43.57 O HETATM 2098 O HOH B 221 51.711 9.220 21.534 1.00 30.48 O HETATM 2099 O HOH B 222 55.697 5.776 41.954 1.00 45.17 O HETATM 2100 O HOH B 223 50.581 26.088 50.372 1.00 30.61 O HETATM 2101 O HOH B 224 48.331 4.710 43.518 1.00 46.62 O HETATM 2102 O HOH B 225 33.530 10.444 33.636 1.00 46.77 O HETATM 2103 O HOH B 226 48.846 31.693 40.561 1.00 47.10 O HETATM 2104 O HOH B 227 37.943 16.229 34.745 1.00 47.13 O HETATM 2105 O HOH B 228 55.874 18.994 26.470 1.00 30.61 O HETATM 2106 O HOH B 229 53.184 31.457 42.899 1.00 31.20 O HETATM 2107 O HOH B 230 52.886 28.591 38.685 1.00 50.33 O HETATM 2108 O AHOH B 231 36.646 4.469 37.072 0.50 12.80 O HETATM 2109 O BHOH B 231 36.155 6.129 37.418 0.50 13.66 O HETATM 2110 O HOH B 232 58.210 23.497 41.821 1.00 31.24 O HETATM 2111 O HOH B 233 53.653 8.897 32.819 1.00 31.28 O HETATM 2112 O HOH B 234 35.749 18.677 38.366 1.00 31.56 O HETATM 2113 O HOH B 235 44.937 17.802 55.793 1.00 31.59 O HETATM 2114 O HOH B 236 38.811 10.822 48.282 1.00 31.63 O HETATM 2115 O HOH B 237 52.155 6.408 21.044 1.00 32.31 O HETATM 2116 O HOH B 238 43.087 18.986 32.383 1.00 32.70 O CONECT 153 170 CONECT 170 153 CONECT 671 677 678 CONECT 677 671 679 CONECT 678 671 680 CONECT 679 677 681 685 CONECT 680 678 682 686 CONECT 681 679 683 693 CONECT 682 680 684 693 CONECT 683 681 CONECT 684 682 CONECT 685 679 687 CONECT 686 680 688 CONECT 687 685 689 CONECT 688 686 690 CONECT 689 687 691 CONECT 690 688 692 CONECT 691 689 CONECT 692 690 CONECT 693 681 682 CONECT 865 869 CONECT 866 870 CONECT 869 865 871 CONECT 870 866 872 CONECT 871 869 873 879 CONECT 872 870 874 880 CONECT 873 871 875 877 CONECT 874 872 876 878 CONECT 875 873 CONECT 876 874 CONECT 877 873 CONECT 878 874 CONECT 879 871 881 CONECT 880 872 882 CONECT 881 879 883 CONECT 882 880 884 CONECT 883 881 885 CONECT 884 882 886 CONECT 885 883 CONECT 886 884 CONECT 1035 1052 CONECT 1052 1035 CONECT 1595 1601 1602 CONECT 1601 1595 1603 CONECT 1602 1595 1604 CONECT 1603 1601 1605 1609 CONECT 1604 1602 1606 1610 CONECT 1605 1603 1607 1617 CONECT 1606 1604 1608 1617 CONECT 1607 1605 CONECT 1608 1606 CONECT 1609 1603 1611 CONECT 1610 1604 1612 CONECT 1611 1609 1613 CONECT 1612 1610 1614 CONECT 1613 1611 1615 CONECT 1614 1612 1616 CONECT 1615 1613 CONECT 1616 1614 CONECT 1617 1605 1606 CONECT 1838 1840 1841 CONECT 1840 1838 1842 CONECT 1841 1838 1843 CONECT 1842 1840 1844 1850 CONECT 1843 1841 1845 1851 CONECT 1844 1842 1846 1848 CONECT 1845 1843 1847 1849 CONECT 1846 1844 CONECT 1847 1845 CONECT 1848 1844 CONECT 1849 1845 CONECT 1850 1842 1852 CONECT 1851 1843 1853 CONECT 1852 1850 1854 CONECT 1853 1851 1855 CONECT 1854 1852 1856 CONECT 1855 1853 1857 CONECT 1856 1854 CONECT 1857 1855 CONECT 1859 1860 1861 1862 1863 CONECT 1860 1859 CONECT 1861 1859 CONECT 1862 1859 CONECT 1863 1859 CONECT 1864 1866 1868 CONECT 1865 1867 1869 CONECT 1866 1864 CONECT 1867 1865 CONECT 1868 1864 1870 1872 CONECT 1869 1865 1871 1873 CONECT 1870 1868 CONECT 1871 1869 CONECT 1872 1868 1874 CONECT 1873 1869 1875 CONECT 1874 1872 CONECT 1875 1873 CONECT 1876 1878 1880 CONECT 1877 1879 1881 CONECT 1878 1876 CONECT 1879 1877 CONECT 1880 1876 1882 1884 CONECT 1881 1877 1883 1885 CONECT 1882 1880 CONECT 1883 1881 CONECT 1884 1880 1886 CONECT 1885 1881 1887 CONECT 1886 1884 CONECT 1887 1885 END