USER MOD reduce.3.24.130724 H: found=0, std=0, add=2071, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 22-JAN-10 3LHO TITLE CRYSTAL STRUCTURE OF PUTATIVE HYDROLASE (YP_751971.1) FROM SHEWANELLA TITLE 2 FRIGIDIMARINA NCIMB 400 AT 1.80 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE HYDROLASE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; SOURCE 3 ORGANISM_TAXID: 318167; SOURCE 4 STRAIN: NCIMB 400; SOURCE 5 GENE: SFRI_3296; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: SPEEDET KEYWDS STRUCTURAL GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, PSI-2, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) REVDAT 2 13-JUL-11 3LHO 1 VERSN REVDAT 1 09-MAR-10 3LHO 0 JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) JRNL TITL CRYSTAL STRUCTURE OF PUTATIVE HYDROLASE (YP_751971.1) FROM JRNL TITL 2 SHEWANELLA FRIGIDIMARINA NCIMB 400 AT 1.80 A RESOLUTION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0102 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 45.56 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.2 REMARK 3 NUMBER OF REFLECTIONS : 27263 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) : 0.175 REMARK 3 R VALUE (WORKING SET) : 0.173 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1366 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1849 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.10 REMARK 3 BIN R VALUE (WORKING SET) : 0.2960 REMARK 3 BIN FREE R VALUE SET COUNT : 90 REMARK 3 BIN FREE R VALUE : 0.3270 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1994 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 67 REMARK 3 SOLVENT ATOMS : 204 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 30.54 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.91 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.72000 REMARK 3 B22 (A**2) : -1.87000 REMARK 3 B33 (A**2) : -0.85000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.117 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.113 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.093 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.789 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.951 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2134 ; 0.017 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 1415 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2893 ; 1.459 ; 1.959 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3468 ; 0.914 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 265 ; 6.608 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 99 ;34.273 ;24.949 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 337 ;12.794 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 6 ;23.972 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 316 ; 0.093 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2348 ; 0.008 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 423 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1282 ; 1.875 ; 3.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 518 ; 0.597 ; 3.000 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2071 ; 2.781 ; 5.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 852 ; 5.022 ; 8.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 816 ; 6.894 ;11.000 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 : 1 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 0 A 253 REMARK 3 ORIGIN FOR THE GROUP (A): 19.9667 13.7145 28.7525 REMARK 3 T TENSOR REMARK 3 T11: 0.0154 T22: 0.0149 REMARK 3 T33: 0.0268 T12: -0.0072 REMARK 3 T13: -0.0092 T23: -0.0018 REMARK 3 L TENSOR REMARK 3 L11: 0.2433 L22: 0.9846 REMARK 3 L33: 1.1480 L12: -0.2532 REMARK 3 L13: 0.1738 L23: -0.5047 REMARK 3 S TENSOR REMARK 3 S11: 0.0351 S12: -0.0033 S13: -0.0171 REMARK 3 S21: -0.1061 S22: 0.0106 S23: 0.0740 REMARK 3 S31: 0.0903 S32: -0.0186 S33: -0.0457 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. A MET-INHIBITION PROTOCOL WAS USED FOR REMARK 3 SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE REMARK 3 OCCUPANCY OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 REMARK 3 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET REMARK 3 INCORPORATION. 3. ATOM RECORDS CONTAIN RESIDUAL B FACTORS ONLY. REMARK 3 4. THE METAL PRESENT IN THE PUTATIVE ACTIVE SITE WAS TENTATIVELY REMARK 3 ASSIGNED AS NICKLE (NI) BASED ON X-RAY FLURORESCENCE SPECTROSCOPY REMARK 3 AND ANOMALOUS DIFFERENCE FOURIERS. NICKLE IONS WERE PRESENT REMARK 3 DURING PURIFICATION AS CHELATING AGENT. 5. GLYCEROL (GOL), REMARK 3 SULFATE (SO4) AND POLYETHYLENE GLYCOL FRAGMENTS (PEG AND PG4) REMARK 3 MODELED WERE PRESENT IN CRYSTALLIZATION/CRYO CONDITIONS. REMARK 4 REMARK 4 3LHO 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 RCSB057289. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-NOV-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.57 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL9-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.91837,0.97949,0.97934 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL MONOCHROMATOR REMARK 200 OPTICS : FLAT COLLIMATING MIRROR, TOROID REMARK 200 FOCUSING MIRROR 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 : 27317 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 28.961 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.06900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.9500 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.6 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.69500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHELXD/AUTOSHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 48.77 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.40 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.3000M AMMONIUM SULFATE, 2.2500% REMARK 280 POLYETHYLENE GLYCOL 400, 15.0000% GLYCEROL, 0.1M HEPES PH 7.57, REMARK 280 NANODROP, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 21.04900 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.55600 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 37.51750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 45.55600 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.04900 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 37.51750 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 SER A 254 REMARK 465 ALA A 255 REMARK 465 ASP A 256 REMARK 465 LYS A 257 REMARK 465 ILE A 258 REMARK 465 PHE A 259 REMARK 465 GLU A 260 REMARK 465 SER A 261 REMARK 465 THR A 262 REMARK 465 ASN A 263 REMARK 465 ALA A 264 REMARK 465 MSE A 265 REMARK 465 MSE A 266 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 VAL A 251 CG1 CG2 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 ASN A 47 47.94 -79.10 REMARK 500 SER A 195 -76.90 -55.79 REMARK 500 SER A 230 -92.14 -101.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NI A 267 NI REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 310 O REMARK 620 2 HIS A 164 NE2 163.6 REMARK 620 3 HIS A 40 NE2 89.9 104.9 REMARK 620 4 GLU A 234 OE1 91.2 95.9 89.5 REMARK 620 5 HOH A 306 O 71.3 99.6 96.2 161.5 REMARK 620 6 HOH A 327 O 70.9 94.2 160.7 90.9 78.0 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 267 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 268 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 269 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 270 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 271 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 272 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 273 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 274 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 275 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PEG A 276 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 A 277 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 381550 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. DBREF 3LHO A 1 266 UNP Q07XY2 Q07XY2_SHEFN 1 266 SEQADV 3LHO GLY A 0 UNP Q07XY2 LEADER SEQUENCE SEQRES 1 A 267 GLY MSE HIS THR ASP VAL ASN ALA LEU PHE ALA ALA LEU SEQRES 2 A 267 TRP GLN ASP TYR ILE LYS MSE THR PRO SER ALA ALA LYS SEQRES 3 A 267 ILE HIS GLN LEU LEU GLY HIS GLY ALA PRO ILE ILE ASN SEQRES 4 A 267 ASP HIS ILE ALA LEU ARG THR PHE ASN ILE ALA LYS VAL SEQRES 5 A 267 ASN LEU SER VAL LEU ALA LYS HIS PHE THR SER ILE GLY SEQRES 6 A 267 TYR VAL ASP SER GLY ASP TYR LYS PHE GLU GLN LYS LYS SEQRES 7 A 267 LEU ILE ALA LYS HIS PHE GLU HIS PRO ASP PRO LYS GLN SEQRES 8 A 267 PRO LYS VAL PHE ILE SER GLU LEU LEU VAL GLU GLU PHE SEQRES 9 A 267 SER PRO GLU VAL GLN LYS SER ILE HIS GLY LEU ILE ASP SEQRES 10 A 267 GLN VAL ASP ILE ALA ALA THR THR ALA ASP ASN PHE ILE SEQRES 11 A 267 TYR SER GLY ARG HIS TRP ASP VAL ASP LYS ALA THR TYR SEQRES 12 A 267 GLN ALA LEU LEU ALA GLU SER GLU TYR ALA ALA TRP VAL SEQRES 13 A 267 ALA ALA LEU GLY TYR ARG ALA ASN HIS PHE THR VAL SER SEQRES 14 A 267 ILE ASN ASP LEU PRO GLU PHE GLU ARG ILE GLU ASP VAL SEQRES 15 A 267 ASN GLN ALA LEU LYS GLN ALA GLY PHE VAL LEU ASN SER SEQRES 16 A 267 SER GLY GLY GLU VAL LYS GLY SER PRO GLU VAL LEU LEU SEQRES 17 A 267 GLU GLN SER SER THR MSE ALA ASP LYS VAL VAL VAL ASN SEQRES 18 A 267 PHE THR ASP GLY ASP VAL GLU ILE PRO SER CYS PHE TYR SEQRES 19 A 267 GLU PHE ALA ARG ARG TYR PRO MSE ALA ASN GLY GLN LEU SEQRES 20 A 267 TYR THR GLY PHE VAL ALA ALA SER ALA ASP LYS ILE PHE SEQRES 21 A 267 GLU SER THR ASN ALA MSE MSE MODRES 3LHO MSE A 1 MET SELENOMETHIONINE MODRES 3LHO MSE A 19 MET SELENOMETHIONINE MODRES 3LHO MSE A 213 MET SELENOMETHIONINE MODRES 3LHO MSE A 241 MET SELENOMETHIONINE HET MSE A 1 8 HET MSE A 19 8 HET MSE A 213 8 HET MSE A 241 8 HET NI A 267 1 HET SO4 A 268 5 HET SO4 A 269 5 HET SO4 A 270 5 HET GOL A 271 6 HET GOL A 272 6 HET GOL A 273 6 HET GOL A 274 6 HET PEG A 275 7 HET PEG A 276 7 HET PG4 A 277 13 HETNAM MSE SELENOMETHIONINE HETNAM NI NICKEL (II) ION HETNAM SO4 SULFATE ION HETNAM GOL GLYCEROL HETNAM PEG DI(HYDROXYETHYL)ETHER HETNAM PG4 TETRAETHYLENE GLYCOL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 1 MSE 4(C5 H11 N O2 SE) FORMUL 2 NI NI 2+ FORMUL 3 SO4 3(O4 S 2-) FORMUL 6 GOL 4(C3 H8 O3) FORMUL 10 PEG 2(C4 H10 O3) FORMUL 12 PG4 C8 H18 O5 FORMUL 13 HOH *204(H2 O) HELIX 1 1 ASP A 4 THR A 20 1 17 HELIX 2 2 THR A 20 HIS A 32 1 13 HELIX 3 3 ILE A 48 VAL A 51 5 4 HELIX 4 4 ASN A 52 SER A 62 1 11 HELIX 5 5 VAL A 100 PHE A 103 5 4 HELIX 6 6 SER A 104 ASP A 116 1 13 HELIX 7 7 GLN A 117 VAL A 118 5 2 HELIX 8 8 ASP A 119 ALA A 125 5 7 HELIX 9 9 ASN A 127 SER A 131 5 5 HELIX 10 10 ASP A 138 SER A 149 1 12 HELIX 11 11 SER A 149 GLY A 159 1 11 HELIX 12 12 ARG A 177 ALA A 188 1 12 HELIX 13 13 PRO A 203 VAL A 205 5 3 SHEET 1 A 8 VAL A 66 PHE A 73 0 SHEET 2 A 8 LEU A 78 GLU A 84 -1 O LEU A 78 N PHE A 73 SHEET 3 A 8 LYS A 92 LEU A 98 -1 O ILE A 95 N LYS A 81 SHEET 4 A 8 ASN A 38 PHE A 46 1 N LEU A 43 O PHE A 94 SHEET 5 A 8 HIS A 164 SER A 168 -1 O THR A 166 N ASP A 39 SHEET 6 A 8 GLU A 234 ARG A 238 1 O ALA A 236 N VAL A 167 SHEET 7 A 8 LEU A 207 SER A 211 -1 N GLU A 208 O ARG A 237 SHEET 8 A 8 LYS A 200 SER A 202 -1 N LYS A 200 O GLN A 209 SHEET 1 B 2 LYS A 216 PHE A 221 0 SHEET 2 B 2 GLY A 224 PRO A 229 -1 O VAL A 226 N VAL A 219 LINK C GLY A 0 N MSE A 1 1555 1555 1.33 LINK C MSE A 1 N HIS A 2 1555 1555 1.34 LINK C LYS A 18 N MSE A 19 1555 1555 1.34 LINK C MSE A 19 N THR A 20 1555 1555 1.34 LINK C THR A 212 N MSE A 213 1555 1555 1.32 LINK C MSE A 213 N ALA A 214 1555 1555 1.33 LINK C PRO A 240 N MSE A 241 1555 1555 1.32 LINK C MSE A 241 N ALA A 242 1555 1555 1.33 LINK NI NI A 267 O HOH A 310 1555 1555 2.04 LINK NE2 HIS A 164 NI NI A 267 1555 1555 2.13 LINK NE2 HIS A 40 NI NI A 267 1555 1555 2.13 LINK OE1 GLU A 234 NI NI A 267 1555 1555 2.16 LINK NI NI A 267 O HOH A 306 1555 1555 2.29 LINK NI NI A 267 O HOH A 327 1555 1555 2.42 SITE *** AC1 7 HIS A 40 HIS A 164 THR A 166 GLU A 234 SITE *** AC1 7 HOH A 306 HOH A 310 HOH A 327 SITE *** AC2 6 GLY A 0 ILE A 48 ALA A 49 HIS A 112 SITE *** AC2 6 HOH A 286 HOH A 382 SITE *** AC3 4 PHE A 73 GLU A 74 GLN A 75 HOH A 334 SITE *** AC4 4 HIS A 2 THR A 3 ASP A 4 ALA A 7 SITE *** AC5 6 SER A 149 GLU A 150 TYR A 151 HOH A 285 SITE *** AC5 6 HOH A 388 HOH A 461 SITE *** AC6 4 ILE A 63 HIS A 85 VAL A 191 HOH A 387 SITE *** AC7 5 GLN A 209 SER A 210 SER A 211 GLU A 234 SITE *** AC7 5 HOH A 476 SITE *** AC8 4 LYS A 50 ASP A 70 LYS A 72 HOH A 286 SITE *** AC9 4 LYS A 18 ARG A 161 VAL A 218 HOH A 287 SITE *** BC1 4 ARG A 44 LYS A 76 ASN A 163 HOH A 301 SITE *** BC2 5 PRO A 21 SER A 22 LYS A 25 GLY A 189 SITE *** BC2 5 PHE A 190 CRYST1 42.098 75.035 91.112 90.00 90.00 90.00 P 21 21 21 4 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 0.023754 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013327 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010976 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 NoAdj-H: A 40 HIS HE2 : A 40 HIS NE2 : A 267 NINI :(H bumps) USER MOD NoAdj-H: A 164 HIS HE2 : A 164 HIS NE2 : A 267 NINI :(H bumps) USER MOD Set 1.1: A 193 ASN B: amide:sc= -1.27! C(o=0.77!,f=0.77!) USER MOD Set 1.2: A 211 SER OG : rot -151:sc= 1.31 USER MOD Set 1.3: A 273 GOL O3 : rot -175:sc= 0.734 USER MOD Set 2.1: A 149 SER OG : rot 84:sc= 1.53 USER MOD Set 2.2: A 271 GOL O1 : rot 59:sc= 1.88 USER MOD Set 3.1: A 243 ASN : amide:sc= -1.63 K(o=-2.9,f=-5.4!) USER MOD Set 3.2: A 245 GLN : amide:sc= -1.32 K(o=-2.9,f=-5.8!) USER MOD Set 4.1: A 193 ASN A: amide:sc= 0.0567 K(o=1.3,f=-0.99) USER MOD Set 4.2: A 200 LYS NZ :NH3+ -158:sc= 1.22 (180deg=1.2) USER MOD Set 5.1: A 182 ASN : amide:sc= 0.756 K(o=1.4,f=-0.69!) USER MOD Set 5.2: A 210 SER OG : rot 164:sc= 0.598 USER MOD Set 6.1: A 131 SER OG : rot -81:sc= 2.28 USER MOD Set 6.2: A 134 HIS : no HD1:sc= 2.29 K(o=4.6,f=-8.9!) USER MOD Set 7.1: A 2 HIS : no HE2:sc= 0.896 K(o=2,f=-9.4!) USER MOD Set 7.2: A 130 TYR OH : rot -6:sc= 1.12 USER MOD Set 8.1: A 96 SER OG : rot -95:sc= 1.84 USER MOD Set 8.2: A 151 TYR OH : rot -169:sc= 1.02 USER MOD Set 9.1: A 6 ASN : amide:sc= 0.497 K(o=1.9,f=-0.62) USER MOD Set 9.2: A 90 GLN : amide:sc= 1.36 K(o=1.9,f=-0.41) USER MOD Set10.1: A 85 HIS : no HD1:sc= -0.0532 K(o=1.9,f=-5.4!) USER MOD Set10.2: A 272 GOL O3 : rot -100:sc= 1.91 USER MOD Set11.1: A 71 TYR OH : rot 162:sc= 1.39 USER MOD Set11.2: A 82 HIS : no HD1:sc= 1.97 K(o=3.4,f=-7.3!) USER MOD Set12.1: A 45 THR OG1 : rot -173:sc= 2.21 USER MOD Set12.2: A 160 TYR OH : rot -15:sc= 1.02 USER MOD Set13.1: A 25 LYS NZ :NH3+ 175:sc= -2.45! (180deg=-3.45!) USER MOD Set13.2: A 277 PG4 O1 : rot 180:sc= 0.131 USER MOD Set13.3: A 277 PG4 O5 : rot -49:sc= 0.0903 USER MOD Single : A 0 GLY N :NH3+ -132:sc= 1.75 (180deg=0.807) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.41 K(o=1.4,f=-0.054) USER MOD Single : A 16 TYR OH : rot -21:sc= 1.11 USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0.833 (180deg=0.83) USER MOD Single : A 20 THR OG1 : rot 81:sc= -0.229 USER MOD Single : A 22 SER OG : rot 111:sc= 0.747 USER MOD Single : A 27 HIS : no HE2:sc= 1.57 K(o=1.6,f=-3.9!) USER MOD Single : A 28 GLN : amide:sc= 0.679 K(o=0.68,f=-0.72) USER MOD Single : A 32 HIS : no HD1:sc= 0.186 K(o=0.19,f=-1.6) USER MOD Single : A 38 ASN : amide:sc= 1.52 K(o=1.5,f=0.64) USER MOD Single : A 47 ASN : amide:sc= 1.67 K(o=1.7,f=-4.5!) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= 1.44 (180deg=0.738) USER MOD Single : A 52 ASN : amide:sc= -0.998 K(o=-1,f=-7!) USER MOD Single : A 54 SER OG : rot -45:sc= 2.31 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 1.86 K(o=1.9,f=-3!) USER MOD Single : A 61 THR OG1 : rot -166:sc= 2.16 USER MOD Single : A 62 SER OG : rot -99:sc= 1.11 USER MOD Single : A 65 TYR OH : rot 150:sc= 1.3 USER MOD Single : A 68 SER OG : rot 66:sc= 0.586 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc=-0.000249 (180deg=-0.22) USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= 0.767 (180deg=0.175) USER MOD Single : A 81 LYS NZ :NH3+ 176:sc= 2.22 (180deg=2.02) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 0.127 (180deg=-0.0654) USER MOD Single : A 104 SER OG : rot -118:sc= 0.973 USER MOD Single : A 108 GLN : amide:sc= 0.523 K(o=0.52,f=-0.97) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -53:sc= 1.48 USER MOD Single : A 112 HIS : no HD1:sc= 1.04 K(o=1,f=-2!) USER MOD Single : A 117 GLN : amide:sc= 0.493 K(o=0.49,f=-2.1!) USER MOD Single : A 123 THR OG1 : rot -73:sc= 2.25 USER MOD Single : A 124 THR OG1 : rot -29:sc= 0.808 USER MOD Single : A 127 ASN : amide:sc= 0.477 K(o=0.48,f=-2.7!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 THR OG1 : rot 70:sc= 2.15 USER MOD Single : A 142 TYR OH : rot 3:sc= 2.4 USER MOD Single : A 143 GLN : amide:sc= 0.994 K(o=0.99,f=0.45) USER MOD Single : A 163 ASN : amide:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 166 THR OG1 : rot -139:sc= 0.00649 USER MOD Single : A 168 SER OG : rot -162:sc= 1.26 USER MOD Single : A 170 ASN : amide:sc= 1.52 K(o=1.5,f=-8.5!) USER MOD Single : A 183 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.3) USER MOD Single : A 186 LYS NZ :NH3+ -106:sc= -0.22 (180deg=-0.509!) USER MOD Single : A 187 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 194 SER OG : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 180:sc= 0 USER MOD Single : A 202 SER OG : rot 180:sc=-0.00619 USER MOD Single : A 209 GLN : amide:sc= 1.79 K(o=1.8,f=0.9) USER MOD Single : A 212 THR OG1 : rot 134:sc= 1.65 USER MOD Single : A 216 LYS NZ :NH3+ 158:sc= 0.703 (180deg=0.445) USER MOD Single : A 220 ASN : amide:sc= 1.59 K(o=1.6,f=-0.13) USER MOD Single : A 222 THR OG1 : rot 133:sc= -0.652 USER MOD Single : A 230 SER OG : rot 160:sc= 1.1 USER MOD Single : A 231 CYS SG : rot 170:sc= 0 USER MOD Single : A 233 TYR OH : rot 29:sc= 1.36 USER MOD Single : A 239 TYR OH : rot 1:sc= 1.1 USER MOD Single : A 247 TYR OH : rot 172:sc= 0.958 USER MOD Single : A 248 THR OG1 : rot 68:sc= 1.01 USER MOD Single : A 271 GOL O2 : rot 180:sc= 0 USER MOD Single : A 271 GOL O3 : rot 180:sc= -0.0361 USER MOD Single : A 272 GOL O1 : rot 13:sc= 0.379 USER MOD Single : A 272 GOL O2 : rot -119:sc= 0.313 USER MOD Single : A 273 GOL O1 : rot 180:sc= 0 USER MOD Single : A 273 GOL O2 : rot 180:sc= 0 USER MOD Single : A 274 GOL O1 : rot -19:sc= 0.48 USER MOD Single : A 274 GOL O2 : rot 153:sc= 0.795 USER MOD Single : A 274 GOL O3 : rot 180:sc= 0.0995 USER MOD Single : A 275 PEG O1 : rot -171:sc= 0.0763 USER MOD Single : A 275 PEG O4 : rot -110:sc= 1.58 USER MOD Single : A 276 PEG O1 : rot 180:sc= 0 USER MOD Single : A 276 PEG O4 : rot -69:sc= 0.834 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 37.724 22.903 41.006 1.00 30.94 N ATOM 2 CA GLY A 0 36.407 23.608 40.974 1.00 30.52 C ATOM 3 C GLY A 0 35.822 23.478 39.583 1.00 32.59 C ATOM 4 O GLY A 0 36.352 22.745 38.746 1.00 30.07 O ATOM 0 H1 GLY A 0 37.761 22.376 41.722 1.00 30.94 H new ATOM 0 H2 GLY A 0 37.815 22.411 40.270 1.00 30.94 H new ATOM 0 H3 GLY A 0 38.381 23.502 41.045 1.00 30.94 H new ATOM 0 HA2 GLY A 0 35.804 23.224 41.630 1.00 30.52 H new ATOM 0 HA3 GLY A 0 36.520 24.543 41.205 1.00 30.52 H new HETATM 5 N MSE A 1 34.761 24.233 39.327 1.00 31.23 N HETATM 6 CA MSE A 1 33.913 24.038 38.145 1.00 30.36 C HETATM 7 C MSE A 1 34.416 24.779 36.911 1.00 31.98 C HETATM 8 O MSE A 1 35.186 25.760 37.023 1.00 28.29 O HETATM 9 CB MSE A 1 32.508 24.526 38.457 1.00 31.72 C HETATM 10 CG MSE A 1 32.045 24.109 39.842 1.00 37.28 C HETATM 11 SE MSE A 1 30.136 24.316 40.012 0.75 29.88 SE HETATM 12 CE MSE A 1 30.008 26.162 40.398 1.00 38.52 C HETATM 0 H MSE A 1 34.507 24.879 39.835 1.00 31.23 H new HETATM 0 HA MSE A 1 33.930 23.090 37.942 1.00 30.36 H new HETATM 0 HB2 MSE A 1 32.481 25.493 38.387 1.00 31.72 H new HETATM 0 HB3 MSE A 1 31.892 24.177 37.794 1.00 31.72 H new HETATM 0 HG2 MSE A 1 32.291 23.185 40.006 1.00 37.28 H new HETATM 0 HG3 MSE A 1 32.494 24.645 40.514 1.00 37.28 H new HETATM 0 HE1 MSE A 1 29.076 26.405 40.510 1.00 38.52 H new HETATM 0 HE2 MSE A 1 30.493 26.356 41.215 1.00 38.52 H new HETATM 0 HE3 MSE A 1 30.389 26.673 39.667 1.00 38.52 H new ATOM 13 N HIS A 2 33.962 24.332 35.736 1.00 30.16 N ATOM 14 CA HIS A 2 34.257 25.041 34.482 1.00 31.46 C ATOM 15 C HIS A 2 33.838 26.517 34.625 1.00 30.98 C ATOM 16 O HIS A 2 32.801 26.823 35.247 1.00 29.33 O ATOM 17 CB HIS A 2 33.525 24.394 33.268 1.00 31.97 C ATOM 18 CG HIS A 2 34.141 23.105 32.803 1.00 34.07 C ATOM 19 ND1 HIS A 2 35.173 23.057 31.886 1.00 27.18 N ATOM 20 CD2 HIS A 2 33.868 21.817 33.133 1.00 31.72 C ATOM 21 CE1 HIS A 2 35.508 21.794 31.671 1.00 29.48 C ATOM 22 NE2 HIS A 2 34.742 21.024 32.426 1.00 33.14 N ATOM 0 H HIS A 2 33.484 23.624 35.642 1.00 30.16 H new ATOM 0 HA HIS A 2 35.210 24.980 34.314 1.00 31.46 H new ATOM 0 HB2 HIS A 2 32.599 24.232 33.509 1.00 31.97 H new ATOM 0 HB3 HIS A 2 33.520 25.024 32.531 1.00 31.97 H new ATOM 0 HD1 HIS A 2 35.540 23.740 31.513 1.00 27.18 H new ATOM 0 HD2 HIS A 2 33.213 21.525 33.726 1.00 31.72 H new ATOM 0 HE1 HIS A 2 36.170 21.498 31.088 1.00 29.48 H new ATOM 23 N THR A 3 34.647 27.405 34.055 1.00 28.76 N ATOM 24 CA THR A 3 34.325 28.836 33.958 1.00 31.34 C ATOM 25 C THR A 3 33.803 29.229 32.548 1.00 32.55 C ATOM 26 O THR A 3 33.226 30.301 32.360 1.00 34.13 O ATOM 27 CB THR A 3 35.547 29.678 34.312 1.00 31.52 C ATOM 28 OG1 THR A 3 36.627 29.327 33.437 1.00 35.04 O ATOM 29 CG2 THR A 3 35.987 29.418 35.784 1.00 29.17 C ATOM 0 H THR A 3 35.406 27.197 33.709 1.00 28.76 H new ATOM 0 HA THR A 3 33.613 29.012 34.592 1.00 31.34 H new ATOM 0 HB THR A 3 35.319 30.615 34.212 1.00 31.52 H new ATOM 0 HG1 THR A 3 37.303 29.789 33.627 1.00 35.04 H new ATOM 0 HG21 THR A 3 36.764 29.961 35.990 1.00 29.17 H new ATOM 0 HG22 THR A 3 35.262 29.650 36.385 1.00 29.17 H new ATOM 0 HG23 THR A 3 36.210 28.480 35.895 1.00 29.17 H new ATOM 30 N ASP A 4 33.986 28.350 31.574 1.00 29.71 N ATOM 31 CA ASP A 4 33.563 28.614 30.201 1.00 27.84 C ATOM 32 C ASP A 4 32.552 27.563 29.710 1.00 24.09 C ATOM 33 O ASP A 4 32.806 26.354 29.762 1.00 19.27 O ATOM 34 CB ASP A 4 34.781 28.632 29.296 1.00 30.00 C ATOM 35 CG ASP A 4 34.430 28.975 27.871 1.00 31.33 C ATOM 36 OD1 ASP A 4 33.967 28.072 27.183 1.00 23.45 O ATOM 37 OD2 ASP A 4 34.615 30.134 27.446 1.00 46.18 O ATOM 0 H ASP A 4 34.358 27.583 31.687 1.00 29.71 H new ATOM 0 HA ASP A 4 33.122 29.478 30.176 1.00 27.84 H new ATOM 0 HB2 ASP A 4 35.422 29.277 29.633 1.00 30.00 H new ATOM 0 HB3 ASP A 4 35.212 27.764 29.321 1.00 30.00 H new ATOM 38 N VAL A 5 31.403 28.073 29.255 1.00 22.01 N ATOM 39 CA VAL A 5 30.254 27.287 28.819 1.00 21.73 C ATOM 40 C VAL A 5 30.624 26.413 27.634 1.00 21.70 C ATOM 41 O VAL A 5 30.279 25.242 27.623 1.00 17.91 O ATOM 42 CB VAL A 5 29.043 28.184 28.533 1.00 19.61 C ATOM 43 CG1 VAL A 5 29.327 29.190 27.413 1.00 26.06 C ATOM 44 CG2 VAL A 5 27.799 27.342 28.246 1.00 19.38 C ATOM 0 H VAL A 5 31.271 28.920 29.191 1.00 22.01 H new ATOM 0 HA VAL A 5 29.993 26.695 29.541 1.00 21.73 H new ATOM 0 HB VAL A 5 28.867 28.706 29.331 1.00 19.61 H new ATOM 0 HG11 VAL A 5 28.540 29.737 27.262 1.00 26.06 H new ATOM 0 HG12 VAL A 5 30.071 29.758 27.669 1.00 26.06 H new ATOM 0 HG13 VAL A 5 29.550 28.713 26.598 1.00 26.06 H new ATOM 0 HG21 VAL A 5 27.046 27.927 28.068 1.00 19.38 H new ATOM 0 HG22 VAL A 5 27.960 26.779 27.473 1.00 19.38 H new ATOM 0 HG23 VAL A 5 27.601 26.785 29.015 1.00 19.38 H new ATOM 45 N ASN A 6 31.433 26.938 26.704 1.00 20.73 N ATOM 46 CA ASN A 6 31.831 26.123 25.566 1.00 22.62 C ATOM 47 C ASN A 6 32.686 24.958 25.988 1.00 22.88 C ATOM 48 O ASN A 6 32.476 23.866 25.513 1.00 23.87 O ATOM 49 CB ASN A 6 32.497 26.957 24.468 1.00 22.90 C ATOM 50 CG ASN A 6 31.532 27.899 23.830 1.00 24.64 C ATOM 51 OD1 ASN A 6 30.428 27.513 23.443 1.00 23.55 O ATOM 52 ND2 ASN A 6 31.909 29.166 23.759 1.00 31.91 N ATOM 0 H ASN A 6 31.750 27.737 26.717 1.00 20.73 H new ATOM 0 HA ASN A 6 31.020 25.755 25.182 1.00 22.62 H new ATOM 0 HB2 ASN A 6 33.237 27.458 24.845 1.00 22.90 H new ATOM 0 HB3 ASN A 6 32.868 26.367 23.793 1.00 22.90 H new ATOM 0 HD21 ASN A 6 31.375 29.756 23.433 1.00 31.91 H new ATOM 0 HD22 ASN A 6 32.688 29.399 24.039 1.00 31.91 H new ATOM 53 N ALA A 7 33.634 25.189 26.898 1.00 22.40 N ATOM 54 CA ALA A 7 34.478 24.130 27.412 1.00 21.51 C ATOM 55 C ALA A 7 33.679 23.030 28.122 1.00 19.93 C ATOM 56 O ALA A 7 34.003 21.857 27.991 1.00 18.31 O ATOM 57 CB ALA A 7 35.542 24.709 28.357 1.00 20.38 C ATOM 0 H ALA A 7 33.800 25.965 27.229 1.00 22.40 H new ATOM 0 HA ALA A 7 34.912 23.718 26.649 1.00 21.51 H new ATOM 0 HB1 ALA A 7 36.100 23.991 28.694 1.00 20.38 H new ATOM 0 HB2 ALA A 7 36.092 25.346 27.874 1.00 20.38 H new ATOM 0 HB3 ALA A 7 35.107 25.156 29.100 1.00 20.38 H new ATOM 58 N LEU A 8 32.632 23.406 28.873 1.00 21.70 N ATOM 59 CA LEU A 8 31.806 22.426 29.585 1.00 20.06 C ATOM 60 C LEU A 8 31.077 21.491 28.632 1.00 19.56 C ATOM 61 O LEU A 8 31.160 20.272 28.762 1.00 16.92 O ATOM 62 CB LEU A 8 30.802 23.119 30.531 1.00 15.72 C ATOM 63 CG LEU A 8 29.796 22.262 31.299 1.00 19.90 C ATOM 64 CD1 LEU A 8 30.500 21.123 32.068 1.00 24.57 C ATOM 65 CD2 LEU A 8 28.994 23.118 32.241 1.00 17.53 C ATOM 0 H LEU A 8 32.387 24.223 28.981 1.00 21.70 H new ATOM 0 HA LEU A 8 32.412 21.888 30.119 1.00 20.06 H new ATOM 0 HB2 LEU A 8 31.314 23.624 31.182 1.00 15.72 H new ATOM 0 HB3 LEU A 8 30.299 23.761 30.005 1.00 15.72 H new ATOM 0 HG LEU A 8 29.194 21.856 30.655 1.00 19.90 H new ATOM 0 HD11 LEU A 8 29.839 20.597 32.545 1.00 24.57 H new ATOM 0 HD12 LEU A 8 30.974 20.554 31.442 1.00 24.57 H new ATOM 0 HD13 LEU A 8 31.130 21.501 32.702 1.00 24.57 H new ATOM 0 HD21 LEU A 8 28.360 22.564 32.722 1.00 17.53 H new ATOM 0 HD22 LEU A 8 29.590 23.550 32.873 1.00 17.53 H new ATOM 0 HD23 LEU A 8 28.514 23.793 31.736 1.00 17.53 H new ATOM 66 N PHE A 9 30.379 22.062 27.656 1.00 19.41 N ATOM 67 CA PHE A 9 29.729 21.250 26.650 1.00 19.38 C ATOM 68 C PHE A 9 30.688 20.448 25.758 1.00 19.74 C ATOM 69 O PHE A 9 30.379 19.306 25.448 1.00 17.96 O ATOM 70 CB PHE A 9 28.752 22.090 25.843 1.00 21.68 C ATOM 71 CG PHE A 9 27.550 22.510 26.640 1.00 14.96 C ATOM 72 CD1 PHE A 9 26.648 21.574 27.081 1.00 21.03 C ATOM 73 CD2 PHE A 9 27.345 23.849 26.992 1.00 16.39 C ATOM 74 CE1 PHE A 9 25.541 21.957 27.818 1.00 24.72 C ATOM 75 CE2 PHE A 9 26.229 24.231 27.704 1.00 20.93 C ATOM 76 CZ PHE A 9 25.333 23.290 28.133 1.00 24.89 C ATOM 0 H PHE A 9 30.273 22.910 27.563 1.00 19.41 H new ATOM 0 HA PHE A 9 29.232 20.569 27.130 1.00 19.38 H new ATOM 0 HB2 PHE A 9 29.208 22.880 25.512 1.00 21.68 H new ATOM 0 HB3 PHE A 9 28.461 21.585 25.068 1.00 21.68 H new ATOM 0 HD1 PHE A 9 26.782 20.675 26.883 1.00 21.03 H new ATOM 0 HD2 PHE A 9 27.971 24.490 26.742 1.00 16.39 H new ATOM 0 HE1 PHE A 9 24.932 21.315 28.104 1.00 24.72 H new ATOM 0 HE2 PHE A 9 26.084 25.130 27.893 1.00 20.93 H new ATOM 0 HZ PHE A 9 24.590 23.543 28.632 1.00 24.89 H new ATOM 77 N ALA A 10 31.854 21.008 25.424 1.00 21.23 N ATOM 78 CA ALA A 10 32.875 20.234 24.717 1.00 19.61 C ATOM 79 C ALA A 10 33.212 18.963 25.505 1.00 18.30 C ATOM 80 O ALA A 10 33.273 17.894 24.939 1.00 19.40 O ATOM 81 CB ALA A 10 34.177 21.060 24.435 1.00 20.47 C ATOM 0 H ALA A 10 32.070 21.823 25.595 1.00 21.23 H new ATOM 0 HA ALA A 10 32.503 19.995 23.854 1.00 19.61 H new ATOM 0 HB1 ALA A 10 34.819 20.503 23.967 1.00 20.47 H new ATOM 0 HB2 ALA A 10 33.959 21.831 23.889 1.00 20.47 H new ATOM 0 HB3 ALA A 10 34.560 21.357 25.275 1.00 20.47 H new ATOM 82 N ALA A 11 33.451 19.101 26.806 1.00 16.16 N ATOM 83 CA ALA A 11 33.874 17.989 27.638 1.00 18.14 C ATOM 84 C ALA A 11 32.732 16.989 27.835 1.00 16.59 C ATOM 85 O ALA A 11 32.938 15.750 27.794 1.00 15.16 O ATOM 86 CB ALA A 11 34.417 18.516 28.991 1.00 19.08 C ATOM 0 H ALA A 11 33.371 19.846 27.229 1.00 16.16 H new ATOM 0 HA ALA A 11 34.593 17.516 27.190 1.00 18.14 H new ATOM 0 HB1 ALA A 11 34.697 17.768 29.541 1.00 19.08 H new ATOM 0 HB2 ALA A 11 35.174 19.100 28.830 1.00 19.08 H new ATOM 0 HB3 ALA A 11 33.719 19.010 29.449 1.00 19.08 H new ATOM 87 N LEU A 12 31.514 17.501 27.985 1.00 16.95 N ATOM 88 CA LEU A 12 30.367 16.639 28.111 1.00 16.23 C ATOM 89 C LEU A 12 30.122 15.821 26.838 1.00 16.00 C ATOM 90 O LEU A 12 29.781 14.636 26.897 1.00 16.93 O ATOM 91 CB LEU A 12 29.103 17.457 28.458 1.00 18.22 C ATOM 92 CG LEU A 12 27.863 16.729 28.952 1.00 27.32 C ATOM 93 CD1 LEU A 12 27.994 16.188 30.414 1.00 18.86 C ATOM 94 CD2 LEU A 12 26.627 17.648 28.848 1.00 27.18 C ATOM 0 H LEU A 12 31.340 18.343 28.015 1.00 16.95 H new ATOM 0 HA LEU A 12 30.556 16.020 28.833 1.00 16.23 H new ATOM 0 HB2 LEU A 12 29.351 18.105 29.136 1.00 18.22 H new ATOM 0 HB3 LEU A 12 28.852 17.957 27.666 1.00 18.22 H new ATOM 0 HG LEU A 12 27.758 15.956 28.376 1.00 27.32 H new ATOM 0 HD11 LEU A 12 27.174 15.737 30.667 1.00 18.86 H new ATOM 0 HD12 LEU A 12 28.735 15.563 30.463 1.00 18.86 H new ATOM 0 HD13 LEU A 12 28.155 16.928 31.020 1.00 18.86 H new ATOM 0 HD21 LEU A 12 25.843 17.173 29.166 1.00 27.18 H new ATOM 0 HD22 LEU A 12 26.766 18.440 29.390 1.00 27.18 H new ATOM 0 HD23 LEU A 12 26.494 17.909 27.923 1.00 27.18 H new ATOM 95 N TRP A 13 30.237 16.479 25.700 1.00 13.31 N ATOM 96 CA TRP A 13 30.095 15.824 24.397 1.00 16.13 C ATOM 97 C TRP A 13 31.175 14.781 24.153 1.00 16.61 C ATOM 98 O TRP A 13 30.881 13.684 23.691 1.00 19.80 O ATOM 99 CB TRP A 13 30.112 16.885 23.303 1.00 17.09 C ATOM 100 CG TRP A 13 30.098 16.350 21.881 1.00 20.79 C ATOM 101 CD1 TRP A 13 31.177 16.227 21.043 1.00 18.40 C ATOM 102 CD2 TRP A 13 28.956 15.894 21.145 1.00 16.11 C ATOM 103 NE1 TRP A 13 30.771 15.702 19.825 1.00 15.11 N ATOM 104 CE2 TRP A 13 29.414 15.484 19.863 1.00 17.85 C ATOM 105 CE3 TRP A 13 27.595 15.786 21.438 1.00 17.55 C ATOM 106 CZ2 TRP A 13 28.553 14.997 18.874 1.00 12.19 C ATOM 107 CZ3 TRP A 13 26.742 15.296 20.455 1.00 17.04 C ATOM 108 CH2 TRP A 13 27.221 14.905 19.191 1.00 20.30 C ATOM 0 H TRP A 13 30.400 17.322 25.653 1.00 13.31 H new ATOM 0 HA TRP A 13 29.248 15.351 24.386 1.00 16.13 H new ATOM 0 HB2 TRP A 13 29.343 17.464 23.423 1.00 17.09 H new ATOM 0 HB3 TRP A 13 30.903 17.435 23.418 1.00 17.09 H new ATOM 0 HD1 TRP A 13 32.051 16.461 21.259 1.00 18.40 H new ATOM 0 HE1 TRP A 13 31.285 15.539 19.155 1.00 15.11 H new ATOM 0 HE3 TRP A 13 27.267 16.036 22.271 1.00 17.55 H new ATOM 0 HZ2 TRP A 13 28.870 14.746 18.037 1.00 12.19 H new ATOM 0 HZ3 TRP A 13 25.833 15.225 20.637 1.00 17.04 H new ATOM 0 HH2 TRP A 13 26.623 14.578 18.558 1.00 20.30 H new ATOM 109 N GLN A 14 32.416 15.097 24.477 1.00 17.77 N ATOM 110 CA GLN A 14 33.503 14.094 24.288 1.00 19.83 C ATOM 111 C GLN A 14 33.226 12.800 25.070 1.00 18.48 C ATOM 112 O GLN A 14 33.450 11.691 24.570 1.00 18.21 O ATOM 113 CB GLN A 14 34.905 14.634 24.647 1.00 18.94 C ATOM 114 CG GLN A 14 35.511 15.585 23.563 1.00 30.73 C ATOM 115 CD GLN A 14 35.461 15.003 22.113 1.00 39.79 C ATOM 116 OE1 GLN A 14 35.666 13.798 21.900 1.00 42.85 O ATOM 117 NE2 GLN A 14 35.191 15.864 21.130 1.00 35.10 N ATOM 0 H GLN A 14 32.665 15.855 24.799 1.00 17.77 H new ATOM 0 HA GLN A 14 33.505 13.897 23.338 1.00 19.83 H new ATOM 0 HB2 GLN A 14 34.853 15.110 25.490 1.00 18.94 H new ATOM 0 HB3 GLN A 14 35.507 13.885 24.781 1.00 18.94 H new ATOM 0 HG2 GLN A 14 35.032 16.428 23.581 1.00 30.73 H new ATOM 0 HG3 GLN A 14 36.433 15.778 23.793 1.00 30.73 H new ATOM 0 HE21 GLN A 14 35.054 16.694 21.311 1.00 35.10 H new ATOM 0 HE22 GLN A 14 35.154 15.589 20.316 1.00 35.10 H new ATOM 118 N ASP A 15 32.708 12.960 26.279 1.00 18.47 N ATOM 119 CA ASP A 15 32.325 11.838 27.106 1.00 16.34 C ATOM 120 C ASP A 15 31.118 11.083 26.570 1.00 17.87 C ATOM 121 O ASP A 15 31.131 9.847 26.526 1.00 16.89 O ATOM 122 CB ASP A 15 32.101 12.261 28.547 1.00 17.41 C ATOM 123 CG ASP A 15 31.631 11.120 29.373 1.00 21.31 C ATOM 124 OD1 ASP A 15 32.430 10.263 29.707 1.00 18.60 O ATOM 125 OD2 ASP A 15 30.416 10.990 29.611 1.00 17.82 O ATOM 0 H ASP A 15 32.570 13.728 26.641 1.00 18.47 H new ATOM 0 HA ASP A 15 33.073 11.220 27.079 1.00 16.34 H new ATOM 0 HB2 ASP A 15 32.926 12.613 28.916 1.00 17.41 H new ATOM 0 HB3 ASP A 15 31.448 12.978 28.579 1.00 17.41 H new ATOM 126 N TYR A 16 30.091 11.832 26.174 1.00 17.63 N ATOM 127 CA TYR A 16 28.874 11.283 25.599 1.00 17.32 C ATOM 128 C TYR A 16 29.059 10.434 24.347 1.00 18.63 C ATOM 129 O TYR A 16 28.409 9.380 24.218 1.00 18.90 O ATOM 130 CB TYR A 16 27.961 12.463 25.274 1.00 15.92 C ATOM 131 CG TYR A 16 26.669 12.190 24.489 1.00 18.56 C ATOM 132 CD1 TYR A 16 25.597 11.525 25.087 1.00 18.14 C ATOM 133 CD2 TYR A 16 26.508 12.701 23.211 1.00 15.40 C ATOM 134 CE1 TYR A 16 24.387 11.322 24.410 1.00 16.38 C ATOM 135 CE2 TYR A 16 25.299 12.522 22.500 1.00 17.76 C ATOM 136 CZ TYR A 16 24.253 11.825 23.092 1.00 16.23 C ATOM 137 OH TYR A 16 23.069 11.697 22.407 1.00 17.06 O ATOM 0 H TYR A 16 30.086 12.690 26.235 1.00 17.63 H new ATOM 0 HA TYR A 16 28.503 10.673 26.256 1.00 17.32 H new ATOM 0 HB2 TYR A 16 27.715 12.886 26.112 1.00 15.92 H new ATOM 0 HB3 TYR A 16 28.481 13.110 24.772 1.00 15.92 H new ATOM 0 HD1 TYR A 16 25.688 11.209 25.957 1.00 18.14 H new ATOM 0 HD2 TYR A 16 27.207 13.169 22.814 1.00 15.40 H new ATOM 0 HE1 TYR A 16 23.686 10.866 24.817 1.00 16.38 H new ATOM 0 HE2 TYR A 16 25.205 12.868 21.642 1.00 17.76 H new ATOM 0 HH TYR A 16 22.616 11.075 22.744 1.00 17.06 H new ATOM 138 N ILE A 17 29.904 10.898 23.423 1.00 16.95 N ATOM 139 CA ILE A 17 30.124 10.166 22.164 1.00 19.45 C ATOM 140 C ILE A 17 30.864 8.841 22.372 1.00 19.29 C ATOM 141 O ILE A 17 30.750 7.947 21.548 1.00 18.59 O ATOM 142 CB ILE A 17 30.823 11.012 21.026 1.00 17.32 C ATOM 143 CG1 ILE A 17 32.235 11.461 21.419 1.00 21.14 C ATOM 144 CG2 ILE A 17 29.952 12.193 20.586 1.00 17.74 C ATOM 145 CD1 ILE A 17 33.004 12.169 20.249 1.00 22.45 C ATOM 0 H ILE A 17 30.356 11.625 23.501 1.00 16.95 H new ATOM 0 HA ILE A 17 29.227 9.973 21.851 1.00 19.45 H new ATOM 0 HB ILE A 17 30.922 10.425 20.261 1.00 17.32 H new ATOM 0 HG12 ILE A 17 32.177 12.067 22.174 1.00 21.14 H new ATOM 0 HG13 ILE A 17 32.744 10.689 21.713 1.00 21.14 H new ATOM 0 HG21 ILE A 17 30.408 12.690 19.889 1.00 17.74 H new ATOM 0 HG22 ILE A 17 29.106 11.862 20.246 1.00 17.74 H new ATOM 0 HG23 ILE A 17 29.789 12.776 21.344 1.00 17.74 H new ATOM 0 HD11 ILE A 17 33.887 12.430 20.553 1.00 22.45 H new ATOM 0 HD12 ILE A 17 33.088 11.558 19.500 1.00 22.45 H new ATOM 0 HD13 ILE A 17 32.513 12.957 19.969 1.00 22.45 H new ATOM 146 N LYS A 18 31.583 8.693 23.483 1.00 19.62 N ATOM 147 CA LYS A 18 32.150 7.422 23.840 1.00 20.97 C ATOM 148 C LYS A 18 31.077 6.373 24.057 1.00 20.44 C ATOM 149 O LYS A 18 31.293 5.226 23.716 1.00 23.20 O ATOM 150 CB LYS A 18 33.038 7.513 25.085 1.00 20.87 C ATOM 151 CG LYS A 18 34.241 8.400 24.929 1.00 23.62 C ATOM 152 CD LYS A 18 34.974 8.528 26.274 1.00 28.06 C ATOM 153 CE LYS A 18 36.116 9.500 26.195 1.00 37.70 C ATOM 154 NZ LYS A 18 36.715 9.650 27.552 1.00 39.83 N ATOM 0 H LYS A 18 31.748 9.328 24.039 1.00 19.62 H new ATOM 0 HA LYS A 18 32.704 7.155 23.090 1.00 20.97 H new ATOM 0 HB2 LYS A 18 32.504 7.839 25.826 1.00 20.87 H new ATOM 0 HB3 LYS A 18 33.337 6.621 25.321 1.00 20.87 H new ATOM 0 HG2 LYS A 18 34.839 8.033 24.259 1.00 23.62 H new ATOM 0 HG3 LYS A 18 33.968 9.276 24.616 1.00 23.62 H new ATOM 0 HD2 LYS A 18 34.349 8.818 26.957 1.00 28.06 H new ATOM 0 HD3 LYS A 18 35.307 7.658 26.545 1.00 28.06 H new ATOM 0 HE2 LYS A 18 36.784 9.183 25.567 1.00 37.70 H new ATOM 0 HE3 LYS A 18 35.804 10.359 25.869 1.00 37.70 H new ATOM 0 HZ1 LYS A 18 37.412 10.202 27.510 1.00 39.83 H new ATOM 0 HZ2 LYS A 18 36.107 9.982 28.110 1.00 39.83 H new ATOM 0 HZ3 LYS A 18 36.985 8.855 27.847 1.00 39.83 H new HETATM 155 N MSE A 19 29.947 6.760 24.655 1.00 20.31 N HETATM 156 CA MSE A 19 28.806 5.887 24.846 1.00 21.78 C HETATM 157 C MSE A 19 27.971 5.834 23.585 1.00 21.13 C HETATM 158 O MSE A 19 27.280 4.847 23.375 1.00 18.98 O HETATM 159 CB MSE A 19 27.849 6.429 25.922 1.00 23.41 C HETATM 160 CG MSE A 19 28.344 6.255 27.316 1.00 27.21 C HETATM 161 SE MSE A 19 27.035 6.898 28.500 0.75 21.16 SE HETATM 162 CE MSE A 19 27.184 8.791 28.160 1.00 17.35 C HETATM 0 H MSE A 19 29.828 7.554 24.964 1.00 20.31 H new HETATM 0 HA MSE A 19 29.169 5.023 25.096 1.00 21.78 H new HETATM 0 HB2 MSE A 19 27.695 7.373 25.759 1.00 23.41 H new HETATM 0 HB3 MSE A 19 26.992 5.982 25.835 1.00 23.41 H new HETATM 0 HG2 MSE A 19 28.528 5.319 27.494 1.00 27.21 H new HETATM 0 HG3 MSE A 19 29.177 6.737 27.440 1.00 27.21 H new HETATM 0 HE1 MSE A 19 26.550 9.271 28.716 1.00 17.35 H new HETATM 0 HE2 MSE A 19 28.084 9.087 28.367 1.00 17.35 H new HETATM 0 HE3 MSE A 19 26.993 8.968 27.226 1.00 17.35 H new ATOM 163 N THR A 20 28.032 6.896 22.779 1.00 19.70 N ATOM 164 CA THR A 20 27.037 7.144 21.721 1.00 20.46 C ATOM 165 C THR A 20 27.732 7.475 20.369 1.00 21.08 C ATOM 166 O THR A 20 27.640 8.607 19.859 1.00 21.14 O ATOM 167 CB THR A 20 26.101 8.307 22.136 1.00 21.09 C ATOM 168 OG1 THR A 20 25.849 8.222 23.546 1.00 24.13 O ATOM 169 CG2 THR A 20 24.772 8.255 21.383 1.00 17.11 C ATOM 0 H THR A 20 28.648 7.494 22.827 1.00 19.70 H new ATOM 0 HA THR A 20 26.511 6.337 21.602 1.00 20.46 H new ATOM 0 HB THR A 20 26.539 9.144 21.916 1.00 21.09 H new ATOM 0 HG1 THR A 20 26.498 8.549 23.967 1.00 24.13 H new ATOM 0 HG21 THR A 20 24.211 8.994 21.665 1.00 17.11 H new ATOM 0 HG22 THR A 20 24.937 8.321 20.429 1.00 17.11 H new ATOM 0 HG23 THR A 20 24.323 7.417 21.576 1.00 17.11 H new ATOM 170 N PRO A 21 28.417 6.480 19.781 1.00 21.33 N ATOM 171 CA PRO A 21 29.108 6.696 18.509 1.00 21.33 C ATOM 172 C PRO A 21 28.205 7.198 17.396 1.00 20.28 C ATOM 173 O PRO A 21 28.667 7.965 16.549 1.00 20.25 O ATOM 174 CB PRO A 21 29.680 5.314 18.155 1.00 20.89 C ATOM 175 CG PRO A 21 28.988 4.352 19.020 1.00 22.56 C ATOM 176 CD PRO A 21 28.620 5.098 20.273 1.00 20.10 C ATOM 0 HA PRO A 21 29.780 7.389 18.600 1.00 21.33 H new ATOM 0 HB2 PRO A 21 29.532 5.107 17.219 1.00 20.89 H new ATOM 0 HB3 PRO A 21 30.638 5.287 18.304 1.00 20.89 H new ATOM 0 HG2 PRO A 21 28.197 4.000 18.582 1.00 22.56 H new ATOM 0 HG3 PRO A 21 29.560 3.596 19.223 1.00 22.56 H new ATOM 0 HD2 PRO A 21 27.817 4.740 20.683 1.00 20.10 H new ATOM 0 HD3 PRO A 21 29.323 5.052 20.939 1.00 20.10 H new ATOM 177 N SER A 22 26.930 6.816 17.434 1.00 19.48 N ATOM 178 CA SER A 22 25.968 7.310 16.462 1.00 21.07 C ATOM 179 C SER A 22 25.874 8.852 16.445 1.00 20.08 C ATOM 180 O SER A 22 25.741 9.454 15.387 1.00 21.14 O ATOM 181 CB SER A 22 24.584 6.732 16.735 1.00 21.63 C ATOM 182 OG SER A 22 24.582 5.331 16.531 1.00 26.48 O ATOM 0 H SER A 22 26.605 6.272 18.015 1.00 19.48 H new ATOM 0 HA SER A 22 26.287 7.020 15.593 1.00 21.07 H new ATOM 0 HB2 SER A 22 24.318 6.932 17.646 1.00 21.63 H new ATOM 0 HB3 SER A 22 23.932 7.150 16.151 1.00 21.63 H new ATOM 0 HG SER A 22 24.495 4.940 17.270 1.00 26.48 H new ATOM 183 N ALA A 23 25.939 9.455 17.624 1.00 15.31 N ATOM 184 CA ALA A 23 25.917 10.883 17.751 1.00 15.25 C ATOM 185 C ALA A 23 27.140 11.480 17.056 1.00 17.51 C ATOM 186 O ALA A 23 27.039 12.480 16.348 1.00 17.43 O ATOM 187 CB ALA A 23 25.831 11.312 19.273 1.00 13.44 C ATOM 0 H ALA A 23 25.997 9.035 18.372 1.00 15.31 H new ATOM 0 HA ALA A 23 25.123 11.232 17.316 1.00 15.25 H new ATOM 0 HB1 ALA A 23 25.817 12.280 19.336 1.00 13.44 H new ATOM 0 HB2 ALA A 23 25.021 10.951 19.666 1.00 13.44 H new ATOM 0 HB3 ALA A 23 26.602 10.968 19.750 1.00 13.44 H new ATOM 188 N ALA A 24 28.295 10.866 17.222 1.00 17.81 N ATOM 189 CA ALA A 24 29.474 11.449 16.559 1.00 19.31 C ATOM 190 C ALA A 24 29.258 11.427 15.036 1.00 18.25 C ATOM 191 O ALA A 24 29.529 12.418 14.324 1.00 18.77 O ATOM 192 CB ALA A 24 30.792 10.731 16.967 1.00 17.72 C ATOM 0 H ALA A 24 28.429 10.153 17.683 1.00 17.81 H new ATOM 0 HA ALA A 24 29.573 12.369 16.852 1.00 19.31 H new ATOM 0 HB1 ALA A 24 31.541 11.144 16.510 1.00 17.72 H new ATOM 0 HB2 ALA A 24 30.918 10.806 17.926 1.00 17.72 H new ATOM 0 HB3 ALA A 24 30.740 9.794 16.720 1.00 17.72 H new ATOM 193 N LYS A 25 28.705 10.332 14.538 1.00 20.24 N ATOM 194 CA LYS A 25 28.527 10.182 13.082 1.00 21.28 C ATOM 195 C LYS A 25 27.445 11.126 12.538 1.00 19.20 C ATOM 196 O LYS A 25 27.648 11.771 11.515 1.00 17.43 O ATOM 197 CB LYS A 25 28.205 8.730 12.709 1.00 19.87 C ATOM 198 CG LYS A 25 29.331 7.760 13.018 1.00 23.08 C ATOM 199 CD LYS A 25 28.949 6.351 12.580 1.00 31.62 C ATOM 200 CE LYS A 25 30.007 5.312 12.910 1.00 39.56 C ATOM 201 NZ LYS A 25 29.499 3.921 12.676 1.00 37.80 N ATOM 0 H LYS A 25 28.427 9.668 15.009 1.00 20.24 H new ATOM 0 HA LYS A 25 29.370 10.427 12.668 1.00 21.28 H new ATOM 0 HB2 LYS A 25 27.408 8.451 13.185 1.00 19.87 H new ATOM 0 HB3 LYS A 25 28.000 8.685 11.762 1.00 19.87 H new ATOM 0 HG2 LYS A 25 30.141 8.039 12.563 1.00 23.08 H new ATOM 0 HG3 LYS A 25 29.523 7.769 13.969 1.00 23.08 H new ATOM 0 HD2 LYS A 25 28.115 6.101 13.007 1.00 31.62 H new ATOM 0 HD3 LYS A 25 28.789 6.348 11.623 1.00 31.62 H new ATOM 0 HE2 LYS A 25 30.795 5.466 12.366 1.00 39.56 H new ATOM 0 HE3 LYS A 25 30.279 5.407 13.836 1.00 39.56 H new ATOM 0 HZ1 LYS A 25 30.159 3.338 12.807 1.00 37.80 H new ATOM 0 HZ2 LYS A 25 28.834 3.748 13.242 1.00 37.80 H new ATOM 0 HZ3 LYS A 25 29.202 3.850 11.840 1.00 37.80 H new ATOM 202 N ILE A 26 26.303 11.187 13.213 1.00 17.78 N ATOM 203 CA ILE A 26 25.208 12.051 12.771 1.00 18.64 C ATOM 204 C ILE A 26 25.619 13.543 12.877 1.00 20.88 C ATOM 205 O ILE A 26 25.274 14.326 12.007 1.00 21.58 O ATOM 206 CB ILE A 26 23.908 11.723 13.516 1.00 19.47 C ATOM 207 CG1 ILE A 26 23.474 10.293 13.139 1.00 20.23 C ATOM 208 CG2 ILE A 26 22.799 12.778 13.203 1.00 18.44 C ATOM 209 CD1 ILE A 26 22.394 9.693 14.005 1.00 21.62 C ATOM 0 H ILE A 26 26.140 10.738 13.928 1.00 17.78 H new ATOM 0 HA ILE A 26 25.027 11.879 11.834 1.00 18.64 H new ATOM 0 HB ILE A 26 24.056 11.763 14.474 1.00 19.47 H new ATOM 0 HG12 ILE A 26 23.165 10.297 12.220 1.00 20.23 H new ATOM 0 HG13 ILE A 26 24.253 9.716 13.174 1.00 20.23 H new ATOM 0 HG21 ILE A 26 21.989 12.549 13.685 1.00 18.44 H new ATOM 0 HG22 ILE A 26 23.101 13.657 13.479 1.00 18.44 H new ATOM 0 HG23 ILE A 26 22.617 12.784 12.250 1.00 18.44 H new ATOM 0 HD11 ILE A 26 22.189 8.798 13.693 1.00 21.62 H new ATOM 0 HD12 ILE A 26 22.701 9.652 14.924 1.00 21.62 H new ATOM 0 HD13 ILE A 26 21.596 10.243 13.955 1.00 21.62 H new ATOM 210 N HIS A 27 26.392 13.915 13.904 1.00 22.20 N ATOM 211 CA HIS A 27 26.920 15.283 14.020 1.00 21.05 C ATOM 212 C HIS A 27 27.729 15.642 12.763 1.00 22.89 C ATOM 213 O HIS A 27 27.508 16.681 12.166 1.00 22.29 O ATOM 214 CB HIS A 27 27.785 15.439 15.285 1.00 20.97 C ATOM 215 CG HIS A 27 28.219 16.851 15.554 1.00 20.10 C ATOM 216 ND1 HIS A 27 29.353 17.404 14.982 1.00 22.56 N ATOM 217 CD2 HIS A 27 27.681 17.822 16.340 1.00 18.77 C ATOM 218 CE1 HIS A 27 29.485 18.658 15.399 1.00 23.06 C ATOM 219 NE2 HIS A 27 28.489 18.933 16.230 1.00 20.26 N ATOM 0 H HIS A 27 26.623 13.390 14.545 1.00 22.20 H new ATOM 0 HA HIS A 27 26.171 15.895 14.097 1.00 21.05 H new ATOM 0 HB2 HIS A 27 27.286 15.112 16.050 1.00 20.97 H new ATOM 0 HB3 HIS A 27 28.572 14.879 15.199 1.00 20.97 H new ATOM 0 HD1 HIS A 27 29.887 17.000 14.443 1.00 22.56 H new ATOM 0 HD2 HIS A 27 26.911 17.750 16.856 1.00 18.77 H new ATOM 0 HE1 HIS A 27 30.162 19.245 15.150 1.00 23.06 H new ATOM 220 N GLN A 28 28.659 14.773 12.373 1.00 23.38 N ATOM 221 CA GLN A 28 29.430 14.953 11.141 1.00 24.76 C ATOM 222 C GLN A 28 28.517 15.016 9.896 1.00 25.49 C ATOM 223 O GLN A 28 28.669 15.915 9.059 1.00 29.08 O ATOM 224 CB GLN A 28 30.505 13.851 11.014 1.00 23.09 C ATOM 225 CG GLN A 28 31.451 13.974 9.821 1.00 27.33 C ATOM 226 CD GLN A 28 32.239 15.279 9.798 1.00 29.77 C ATOM 227 OE1 GLN A 28 32.540 15.857 10.841 1.00 30.89 O ATOM 228 NE2 GLN A 28 32.574 15.744 8.602 1.00 32.72 N ATOM 0 H GLN A 28 28.862 14.063 12.814 1.00 23.38 H new ATOM 0 HA GLN A 28 29.883 15.809 11.191 1.00 24.76 H new ATOM 0 HB2 GLN A 28 31.036 13.846 11.826 1.00 23.09 H new ATOM 0 HB3 GLN A 28 30.058 12.992 10.962 1.00 23.09 H new ATOM 0 HG2 GLN A 28 32.073 13.230 9.833 1.00 27.33 H new ATOM 0 HG3 GLN A 28 30.937 13.901 9.002 1.00 27.33 H new ATOM 0 HE21 GLN A 28 32.346 15.313 7.894 1.00 32.72 H new ATOM 0 HE22 GLN A 28 33.019 16.477 8.535 1.00 32.72 H new ATOM 229 N LEU A 29 27.560 14.098 9.786 1.00 24.85 N ATOM 230 CA LEU A 29 26.614 14.096 8.660 1.00 24.59 C ATOM 231 C LEU A 29 25.846 15.420 8.470 1.00 24.50 C ATOM 232 O LEU A 29 25.769 15.947 7.356 1.00 22.35 O ATOM 233 CB LEU A 29 25.618 12.954 8.828 1.00 23.47 C ATOM 234 CG LEU A 29 24.501 12.759 7.788 1.00 29.35 C ATOM 235 CD1 LEU A 29 25.082 12.155 6.510 1.00 28.85 C ATOM 236 CD2 LEU A 29 23.375 11.837 8.306 1.00 25.74 C ATOM 0 H LEU A 29 27.437 13.463 10.353 1.00 24.85 H new ATOM 0 HA LEU A 29 27.153 13.979 7.862 1.00 24.59 H new ATOM 0 HB2 LEU A 29 26.127 12.129 8.866 1.00 23.47 H new ATOM 0 HB3 LEU A 29 25.193 13.065 9.693 1.00 23.47 H new ATOM 0 HG LEU A 29 24.120 13.633 7.611 1.00 29.35 H new ATOM 0 HD11 LEU A 29 24.374 12.034 5.858 1.00 28.85 H new ATOM 0 HD12 LEU A 29 25.756 12.751 6.148 1.00 28.85 H new ATOM 0 HD13 LEU A 29 25.485 11.296 6.712 1.00 28.85 H new ATOM 0 HD21 LEU A 29 22.694 11.742 7.622 1.00 25.74 H new ATOM 0 HD22 LEU A 29 23.743 10.965 8.519 1.00 25.74 H new ATOM 0 HD23 LEU A 29 22.980 12.225 9.103 1.00 25.74 H new ATOM 237 N LEU A 30 25.263 15.942 9.552 1.00 22.46 N ATOM 238 CA LEU A 30 24.425 17.119 9.505 1.00 20.52 C ATOM 239 C LEU A 30 25.198 18.442 9.421 1.00 21.07 C ATOM 240 O LEU A 30 24.732 19.415 8.818 1.00 23.86 O ATOM 241 CB LEU A 30 23.491 17.134 10.741 1.00 23.15 C ATOM 242 CG LEU A 30 22.426 16.037 10.802 1.00 24.38 C ATOM 243 CD1 LEU A 30 21.581 16.126 12.105 1.00 24.05 C ATOM 244 CD2 LEU A 30 21.540 16.111 9.590 1.00 27.54 C ATOM 0 H LEU A 30 25.350 15.610 10.341 1.00 22.46 H new ATOM 0 HA LEU A 30 23.915 17.058 8.682 1.00 20.52 H new ATOM 0 HB2 LEU A 30 24.040 17.069 11.538 1.00 23.15 H new ATOM 0 HB3 LEU A 30 23.044 17.994 10.774 1.00 23.15 H new ATOM 0 HG LEU A 30 22.880 15.180 10.811 1.00 24.38 H new ATOM 0 HD11 LEU A 30 20.918 15.418 12.110 1.00 24.05 H new ATOM 0 HD12 LEU A 30 22.163 16.029 12.875 1.00 24.05 H new ATOM 0 HD13 LEU A 30 21.135 16.986 12.143 1.00 24.05 H new ATOM 0 HD21 LEU A 30 20.868 15.413 9.637 1.00 27.54 H new ATOM 0 HD22 LEU A 30 21.104 16.977 9.560 1.00 27.54 H new ATOM 0 HD23 LEU A 30 22.075 15.991 8.790 1.00 27.54 H new ATOM 245 N GLY A 31 26.372 18.489 10.025 1.00 21.78 N ATOM 246 CA GLY A 31 27.140 19.731 10.122 1.00 24.01 C ATOM 247 C GLY A 31 28.340 19.794 9.190 1.00 25.52 C ATOM 248 O GLY A 31 28.950 20.845 9.061 1.00 25.12 O ATOM 0 H GLY A 31 26.750 17.809 10.391 1.00 21.78 H new ATOM 0 HA2 GLY A 31 26.553 20.479 9.929 1.00 24.01 H new ATOM 0 HA3 GLY A 31 27.446 19.840 11.036 1.00 24.01 H new ATOM 249 N HIS A 32 28.695 18.666 8.569 1.00 26.24 N ATOM 250 CA HIS A 32 29.811 18.584 7.631 1.00 28.77 C ATOM 251 C HIS A 32 31.120 19.056 8.284 1.00 30.23 C ATOM 252 O HIS A 32 31.993 19.604 7.615 1.00 29.17 O ATOM 253 CB HIS A 32 29.517 19.402 6.357 1.00 31.11 C ATOM 254 CG HIS A 32 28.095 19.310 5.876 1.00 33.66 C ATOM 255 ND1 HIS A 32 27.574 18.174 5.289 1.00 36.83 N ATOM 256 CD2 HIS A 32 27.093 20.222 5.879 1.00 37.42 C ATOM 257 CE1 HIS A 32 26.314 18.391 4.952 1.00 34.90 C ATOM 258 NE2 HIS A 32 25.995 19.623 5.306 1.00 38.11 N ATOM 0 H HIS A 32 28.287 17.918 8.685 1.00 26.24 H new ATOM 0 HA HIS A 32 29.919 17.653 7.380 1.00 28.77 H new ATOM 0 HB2 HIS A 32 29.730 20.333 6.527 1.00 31.11 H new ATOM 0 HB3 HIS A 32 30.107 19.101 5.649 1.00 31.11 H new ATOM 0 HD2 HIS A 32 27.139 21.091 6.207 1.00 37.42 H new ATOM 0 HE1 HIS A 32 25.749 17.780 4.537 1.00 34.90 H new ATOM 0 HE2 HIS A 32 25.226 19.991 5.196 1.00 38.11 H new ATOM 259 N GLY A 33 31.249 18.843 9.593 1.00 30.72 N ATOM 260 CA GLY A 33 32.425 19.309 10.342 1.00 32.44 C ATOM 261 C GLY A 33 32.218 20.611 11.106 1.00 32.37 C ATOM 262 O GLY A 33 33.015 20.936 11.963 1.00 35.03 O ATOM 0 H GLY A 33 30.666 18.429 10.071 1.00 30.72 H new ATOM 0 HA2 GLY A 33 32.688 18.618 10.970 1.00 32.44 H new ATOM 0 HA3 GLY A 33 33.163 19.425 9.723 1.00 32.44 H new ATOM 263 N ALA A 34 31.173 21.372 10.779 1.00 32.25 N ATOM 264 CA ALA A 34 30.798 22.561 11.550 1.00 30.13 C ATOM 265 C ALA A 34 30.092 22.156 12.846 1.00 29.87 C ATOM 266 O ALA A 34 29.381 21.154 12.875 1.00 27.39 O ATOM 267 CB ALA A 34 29.884 23.465 10.723 1.00 31.60 C ATOM 0 H ALA A 34 30.662 21.215 10.105 1.00 32.25 H new ATOM 0 HA ALA A 34 31.607 23.049 11.772 1.00 30.13 H new ATOM 0 HB1 ALA A 34 29.644 24.247 11.245 1.00 31.60 H new ATOM 0 HB2 ALA A 34 30.347 23.744 9.918 1.00 31.60 H new ATOM 0 HB3 ALA A 34 29.080 22.979 10.481 1.00 31.60 H new ATOM 268 N PRO A 35 30.241 22.965 13.915 1.00 31.92 N ATOM 269 CA PRO A 35 29.422 22.674 15.072 1.00 33.81 C ATOM 270 C PRO A 35 27.928 22.877 14.725 1.00 30.56 C ATOM 271 O PRO A 35 27.583 23.637 13.816 1.00 34.55 O ATOM 272 CB PRO A 35 29.911 23.684 16.114 1.00 35.49 C ATOM 273 CG PRO A 35 30.404 24.833 15.326 1.00 35.58 C ATOM 274 CD PRO A 35 30.745 24.349 13.942 1.00 33.51 C ATOM 0 HA PRO A 35 29.496 21.760 15.388 1.00 33.81 H new ATOM 0 HB2 PRO A 35 29.194 23.949 16.711 1.00 35.49 H new ATOM 0 HB3 PRO A 35 30.615 23.308 16.665 1.00 35.49 H new ATOM 0 HG2 PRO A 35 29.728 25.528 15.284 1.00 35.58 H new ATOM 0 HG3 PRO A 35 31.185 25.222 15.749 1.00 35.58 H new ATOM 0 HD2 PRO A 35 30.322 24.895 13.261 1.00 33.51 H new ATOM 0 HD3 PRO A 35 31.701 24.382 13.779 1.00 33.51 H new ATOM 275 N ILE A 36 27.092 22.113 15.407 1.00 27.57 N ATOM 276 CA ILE A 36 25.652 22.047 15.208 1.00 25.54 C ATOM 277 C ILE A 36 25.071 22.696 16.449 1.00 20.99 C ATOM 278 O ILE A 36 25.558 22.425 17.545 1.00 20.95 O ATOM 279 CB ILE A 36 25.233 20.561 15.179 1.00 27.20 C ATOM 280 CG1 ILE A 36 25.668 19.916 13.858 1.00 36.98 C ATOM 281 CG2 ILE A 36 23.755 20.389 15.357 1.00 31.90 C ATOM 282 CD1 ILE A 36 25.125 20.631 12.679 1.00 33.35 C ATOM 0 H ILE A 36 27.362 21.589 16.033 1.00 27.57 H new ATOM 0 HA ILE A 36 25.359 22.475 14.388 1.00 25.54 H new ATOM 0 HB ILE A 36 25.676 20.123 15.923 1.00 27.20 H new ATOM 0 HG12 ILE A 36 26.637 19.905 13.809 1.00 36.98 H new ATOM 0 HG13 ILE A 36 25.372 18.992 13.838 1.00 36.98 H new ATOM 0 HG21 ILE A 36 23.534 19.445 15.333 1.00 31.90 H new ATOM 0 HG22 ILE A 36 23.486 20.762 16.211 1.00 31.90 H new ATOM 0 HG23 ILE A 36 23.287 20.849 14.642 1.00 31.90 H new ATOM 0 HD11 ILE A 36 25.424 20.191 11.868 1.00 33.35 H new ATOM 0 HD12 ILE A 36 24.156 20.622 12.713 1.00 33.35 H new ATOM 0 HD13 ILE A 36 25.440 21.549 12.683 1.00 33.35 H new ATOM 283 N ILE A 37 24.034 23.523 16.313 1.00 15.94 N ATOM 284 CA ILE A 37 23.384 24.078 17.481 1.00 16.95 C ATOM 285 C ILE A 37 22.473 23.009 18.143 1.00 17.63 C ATOM 286 O ILE A 37 21.583 22.406 17.489 1.00 17.89 O ATOM 287 CB ILE A 37 22.542 25.355 17.133 1.00 16.78 C ATOM 288 CG1 ILE A 37 23.467 26.442 16.540 1.00 22.32 C ATOM 289 CG2 ILE A 37 21.753 25.836 18.375 1.00 14.88 C ATOM 290 CD1 ILE A 37 24.578 26.836 17.432 1.00 28.97 C ATOM 0 H ILE A 37 23.700 23.769 15.559 1.00 15.94 H new ATOM 0 HA ILE A 37 24.080 24.344 18.102 1.00 16.95 H new ATOM 0 HB ILE A 37 21.881 25.144 16.456 1.00 16.78 H new ATOM 0 HG12 ILE A 37 23.835 26.119 15.703 1.00 22.32 H new ATOM 0 HG13 ILE A 37 22.937 27.227 16.332 1.00 22.32 H new ATOM 0 HG21 ILE A 37 21.238 26.625 18.146 1.00 14.88 H new ATOM 0 HG22 ILE A 37 21.153 25.133 18.670 1.00 14.88 H new ATOM 0 HG23 ILE A 37 22.373 26.052 19.089 1.00 14.88 H new ATOM 0 HD11 ILE A 37 25.115 27.518 16.999 1.00 28.97 H new ATOM 0 HD12 ILE A 37 24.218 27.187 18.262 1.00 28.97 H new ATOM 0 HD13 ILE A 37 25.131 26.062 17.622 1.00 28.97 H new ATOM 291 N ASN A 38 22.662 22.819 19.446 1.00 14.21 N ATOM 292 CA ASN A 38 21.813 21.904 20.211 1.00 18.00 C ATOM 293 C ASN A 38 20.600 22.595 20.862 1.00 15.86 C ATOM 294 O ASN A 38 20.707 23.708 21.377 1.00 17.53 O ATOM 295 CB ASN A 38 22.667 21.206 21.267 1.00 15.86 C ATOM 296 CG ASN A 38 23.749 20.332 20.658 1.00 19.59 C ATOM 297 OD1 ASN A 38 24.962 20.498 20.945 1.00 24.46 O ATOM 298 ND2 ASN A 38 23.341 19.424 19.798 1.00 14.53 N ATOM 0 H ASN A 38 23.275 23.209 19.907 1.00 14.21 H new ATOM 0 HA ASN A 38 21.444 21.257 19.590 1.00 18.00 H new ATOM 0 HB2 ASN A 38 23.078 21.873 21.838 1.00 15.86 H new ATOM 0 HB3 ASN A 38 22.096 20.662 21.832 1.00 15.86 H new ATOM 0 HD21 ASN A 38 23.913 18.915 19.407 1.00 14.53 H new ATOM 0 HD22 ASN A 38 22.502 19.340 19.627 1.00 14.53 H new ATOM 299 N ASP A 39 19.445 21.956 20.809 1.00 17.38 N ATOM 300 CA ASP A 39 18.261 22.426 21.537 1.00 17.27 C ATOM 301 C ASP A 39 18.444 22.276 23.053 1.00 17.53 C ATOM 302 O ASP A 39 18.110 23.182 23.835 1.00 12.96 O ATOM 303 CB ASP A 39 17.022 21.591 21.138 1.00 20.10 C ATOM 304 CG ASP A 39 15.762 22.064 21.838 1.00 22.77 C ATOM 305 OD1 ASP A 39 15.330 23.184 21.536 1.00 22.11 O ATOM 306 OD2 ASP A 39 15.233 21.387 22.756 1.00 18.97 O ATOM 0 H ASP A 39 19.317 21.238 20.353 1.00 17.38 H new ATOM 0 HA ASP A 39 18.139 23.361 21.309 1.00 17.27 H new ATOM 0 HB2 ASP A 39 16.895 21.642 20.178 1.00 20.10 H new ATOM 0 HB3 ASP A 39 17.179 20.659 21.354 1.00 20.10 H new ATOM 307 N HIS A 40 18.962 21.110 23.449 1.00 14.92 N ATOM 308 CA HIS A 40 19.159 20.790 24.860 1.00 15.22 C ATOM 309 C HIS A 40 20.079 19.631 25.082 1.00 17.61 C ATOM 310 O HIS A 40 20.409 18.896 24.120 1.00 15.82 O ATOM 311 CB HIS A 40 17.801 20.570 25.609 1.00 18.01 C ATOM 312 CG HIS A 40 17.026 19.339 25.223 1.00 20.35 C ATOM 313 ND1 HIS A 40 16.072 19.343 24.218 1.00 16.86 N ATOM 314 CD2 HIS A 40 16.975 18.096 25.787 1.00 18.36 C ATOM 315 CE1 HIS A 40 15.507 18.151 24.151 1.00 21.73 C ATOM 316 NE2 HIS A 40 16.023 17.387 25.102 1.00 23.15 N ATOM 0 H HIS A 40 19.207 20.488 22.908 1.00 14.92 H new ATOM 0 HA HIS A 40 19.593 21.570 25.241 1.00 15.22 H new ATOM 0 HB2 HIS A 40 17.980 20.532 26.562 1.00 18.01 H new ATOM 0 HB3 HIS A 40 17.239 21.346 25.456 1.00 18.01 H new ATOM 0 HD1 HIS A 40 15.879 20.015 23.717 1.00 16.86 H new ATOM 0 HD2 HIS A 40 17.488 17.789 26.500 1.00 18.36 H new ATOM 0 HE1 HIS A 40 14.856 17.892 23.539 1.00 21.73 H new ATOM 317 N ILE A 41 20.548 19.536 26.337 1.00 16.12 N ATOM 318 CA ILE A 41 21.083 18.324 26.948 1.00 16.99 C ATOM 319 C ILE A 41 20.173 17.911 28.122 1.00 20.76 C ATOM 320 O ILE A 41 19.334 18.706 28.631 1.00 18.33 O ATOM 321 CB ILE A 41 22.605 18.460 27.381 1.00 16.75 C ATOM 322 CG1 ILE A 41 22.773 19.529 28.467 1.00 18.04 C ATOM 323 CG2 ILE A 41 23.493 18.795 26.173 1.00 17.28 C ATOM 324 CD1 ILE A 41 23.408 19.104 29.692 1.00 21.55 C ATOM 0 H ILE A 41 20.560 20.209 26.872 1.00 16.12 H new ATOM 0 HA ILE A 41 21.082 17.620 26.280 1.00 16.99 H new ATOM 0 HB ILE A 41 22.884 17.604 27.743 1.00 16.75 H new ATOM 0 HG12 ILE A 41 23.289 20.262 28.095 1.00 18.04 H new ATOM 0 HG13 ILE A 41 21.896 19.881 28.685 1.00 18.04 H new ATOM 0 HG21 ILE A 41 24.416 18.873 26.461 1.00 17.28 H new ATOM 0 HG22 ILE A 41 23.420 18.089 25.512 1.00 17.28 H new ATOM 0 HG23 ILE A 41 23.205 19.635 25.782 1.00 17.28 H new ATOM 0 HD11 ILE A 41 23.463 19.854 30.305 1.00 21.55 H new ATOM 0 HD12 ILE A 41 22.887 18.393 30.097 1.00 21.55 H new ATOM 0 HD13 ILE A 41 24.301 18.779 29.498 1.00 21.55 H new ATOM 325 N ALA A 42 20.260 16.634 28.484 1.00 19.97 N ATOM 326 CA ALA A 42 19.464 16.086 29.591 1.00 18.09 C ATOM 327 C ALA A 42 20.392 15.373 30.549 1.00 15.41 C ATOM 328 O ALA A 42 21.213 14.536 30.099 1.00 15.81 O ATOM 329 CB ALA A 42 18.406 15.097 29.066 1.00 17.61 C ATOM 0 H ALA A 42 20.776 16.062 28.102 1.00 19.97 H new ATOM 0 HA ALA A 42 19.005 16.812 30.042 1.00 18.09 H new ATOM 0 HB1 ALA A 42 17.892 14.747 29.811 1.00 17.61 H new ATOM 0 HB2 ALA A 42 17.812 15.555 28.451 1.00 17.61 H new ATOM 0 HB3 ALA A 42 18.847 14.366 28.606 1.00 17.61 H new ATOM 330 N LEU A 43 20.263 15.676 31.839 1.00 14.06 N ATOM 331 CA LEU A 43 21.006 15.011 32.909 1.00 16.13 C ATOM 332 C LEU A 43 20.043 14.425 33.927 1.00 17.06 C ATOM 333 O LEU A 43 18.901 14.889 34.026 1.00 16.47 O ATOM 334 CB LEU A 43 21.957 16.012 33.587 1.00 18.71 C ATOM 335 CG LEU A 43 22.934 16.788 32.732 1.00 16.94 C ATOM 336 CD1 LEU A 43 23.635 17.867 33.623 1.00 17.03 C ATOM 337 CD2 LEU A 43 24.014 15.877 32.092 1.00 19.12 C ATOM 0 H LEU A 43 19.729 16.288 32.123 1.00 14.06 H new ATOM 0 HA LEU A 43 21.531 14.290 32.529 1.00 16.13 H new ATOM 0 HB2 LEU A 43 21.412 16.655 34.066 1.00 18.71 H new ATOM 0 HB3 LEU A 43 22.471 15.525 34.250 1.00 18.71 H new ATOM 0 HG LEU A 43 22.435 17.200 32.009 1.00 16.94 H new ATOM 0 HD11 LEU A 43 24.265 18.372 33.085 1.00 17.03 H new ATOM 0 HD12 LEU A 43 22.968 18.469 33.988 1.00 17.03 H new ATOM 0 HD13 LEU A 43 24.108 17.430 34.349 1.00 17.03 H new ATOM 0 HD21 LEU A 43 24.616 16.416 31.555 1.00 19.12 H new ATOM 0 HD22 LEU A 43 24.517 15.431 32.791 1.00 19.12 H new ATOM 0 HD23 LEU A 43 23.586 15.213 31.529 1.00 19.12 H new ATOM 338 N ARG A 44 20.498 13.421 34.678 1.00 19.18 N ATOM 339 CA ARG A 44 19.634 12.676 35.605 1.00 15.15 C ATOM 340 C ARG A 44 20.315 12.542 36.949 1.00 20.19 C ATOM 341 O ARG A 44 21.515 12.471 37.009 1.00 13.22 O ATOM 342 CB ARG A 44 19.462 11.269 35.083 1.00 13.18 C ATOM 343 CG ARG A 44 18.707 11.208 33.760 1.00 17.86 C ATOM 344 CD ARG A 44 18.551 9.791 33.335 1.00 20.30 C ATOM 345 NE ARG A 44 17.544 9.680 32.291 1.00 18.07 N ATOM 346 CZ ARG A 44 17.066 8.547 31.787 1.00 24.37 C ATOM 347 NH1 ARG A 44 17.507 7.377 32.210 1.00 19.40 N ATOM 348 NH2 ARG A 44 16.123 8.594 30.846 1.00 24.72 N ATOM 0 H ARG A 44 21.314 13.151 34.666 1.00 19.18 H new ATOM 0 HA ARG A 44 18.789 13.145 35.685 1.00 15.15 H new ATOM 0 HB2 ARG A 44 20.336 10.863 34.969 1.00 13.18 H new ATOM 0 HB3 ARG A 44 18.988 10.741 35.744 1.00 13.18 H new ATOM 0 HG2 ARG A 44 17.836 11.624 33.856 1.00 17.86 H new ATOM 0 HG3 ARG A 44 19.187 11.707 33.081 1.00 17.86 H new ATOM 0 HD2 ARG A 44 19.399 9.449 33.011 1.00 20.30 H new ATOM 0 HD3 ARG A 44 18.297 9.245 34.096 1.00 20.30 H new ATOM 0 HE ARG A 44 17.230 10.414 31.971 1.00 18.07 H new ATOM 0 HH11 ARG A 44 18.112 7.341 32.820 1.00 19.40 H new ATOM 0 HH12 ARG A 44 17.189 6.651 31.876 1.00 19.40 H new ATOM 0 HH21 ARG A 44 15.829 9.353 30.570 1.00 24.72 H new ATOM 0 HH22 ARG A 44 15.809 7.865 30.515 1.00 24.72 H new ATOM 349 N THR A 45 19.551 12.427 38.023 1.00 17.13 N ATOM 350 CA THR A 45 20.147 12.144 39.341 1.00 16.02 C ATOM 351 C THR A 45 19.037 11.663 40.263 1.00 18.22 C ATOM 352 O THR A 45 17.917 11.373 39.776 1.00 14.13 O ATOM 353 CB THR A 45 20.879 13.362 39.928 1.00 17.96 C ATOM 354 OG1 THR A 45 21.671 12.952 41.067 1.00 14.46 O ATOM 355 CG2 THR A 45 19.907 14.458 40.324 1.00 13.81 C ATOM 0 H THR A 45 18.695 12.506 38.022 1.00 17.13 H new ATOM 0 HA THR A 45 20.824 11.456 39.245 1.00 16.02 H new ATOM 0 HB THR A 45 21.463 13.725 39.244 1.00 17.96 H new ATOM 0 HG1 THR A 45 21.991 13.631 41.445 1.00 14.46 H new ATOM 0 HG21 THR A 45 20.398 15.210 40.690 1.00 13.81 H new ATOM 0 HG22 THR A 45 19.409 14.747 39.543 1.00 13.81 H new ATOM 0 HG23 THR A 45 19.291 14.119 40.993 1.00 13.81 H new ATOM 356 N PHE A 46 19.357 11.493 41.546 1.00 15.10 N ATOM 357 CA PHE A 46 18.353 11.165 42.584 1.00 17.56 C ATOM 358 C PHE A 46 18.151 12.321 43.536 1.00 16.27 C ATOM 359 O PHE A 46 19.041 13.145 43.698 1.00 15.84 O ATOM 360 CB PHE A 46 18.831 9.963 43.400 1.00 16.62 C ATOM 361 CG PHE A 46 19.134 8.746 42.578 1.00 18.37 C ATOM 362 CD1 PHE A 46 18.137 7.974 42.076 1.00 13.50 C ATOM 363 CD2 PHE A 46 20.440 8.373 42.326 1.00 12.45 C ATOM 364 CE1 PHE A 46 18.409 6.841 41.330 1.00 18.17 C ATOM 365 CE2 PHE A 46 20.715 7.255 41.584 1.00 19.34 C ATOM 366 CZ PHE A 46 19.693 6.494 41.075 1.00 13.50 C ATOM 0 H PHE A 46 20.160 11.563 41.847 1.00 15.10 H new ATOM 0 HA PHE A 46 17.517 10.969 42.133 1.00 17.56 H new ATOM 0 HB2 PHE A 46 19.628 10.215 43.893 1.00 16.62 H new ATOM 0 HB3 PHE A 46 18.152 9.738 44.055 1.00 16.62 H new ATOM 0 HD1 PHE A 46 17.252 8.212 42.237 1.00 13.50 H new ATOM 0 HD2 PHE A 46 21.139 8.886 42.663 1.00 12.45 H new ATOM 0 HE1 PHE A 46 17.712 6.319 41.004 1.00 18.17 H new ATOM 0 HE2 PHE A 46 21.598 7.011 41.425 1.00 19.34 H new ATOM 0 HZ PHE A 46 19.881 5.744 40.558 1.00 13.50 H new ATOM 367 N ASN A 47 17.000 12.375 44.221 1.00 15.22 N ATOM 368 CA ASN A 47 16.754 13.434 45.204 1.00 14.64 C ATOM 369 C ASN A 47 17.457 13.184 46.580 1.00 14.93 C ATOM 370 O ASN A 47 16.867 13.294 47.667 1.00 18.30 O ATOM 371 CB ASN A 47 15.242 13.635 45.362 1.00 12.74 C ATOM 372 CG ASN A 47 14.606 12.479 46.080 1.00 19.92 C ATOM 373 OD1 ASN A 47 15.161 11.360 46.107 1.00 14.60 O ATOM 374 ND2 ASN A 47 13.500 12.742 46.729 1.00 16.84 N ATOM 0 H ASN A 47 16.356 11.812 44.131 1.00 15.22 H new ATOM 0 HA ASN A 47 17.155 14.250 44.866 1.00 14.64 H new ATOM 0 HB2 ASN A 47 15.073 14.455 45.852 1.00 12.74 H new ATOM 0 HB3 ASN A 47 14.835 13.738 44.488 1.00 12.74 H new ATOM 0 HD21 ASN A 47 13.123 12.130 47.201 1.00 16.84 H new ATOM 0 HD22 ASN A 47 13.151 13.527 46.683 1.00 16.84 H new ATOM 375 N ILE A 48 18.736 12.840 46.518 1.00 15.30 N ATOM 376 CA ILE A 48 19.568 12.596 47.697 1.00 16.44 C ATOM 377 C ILE A 48 20.477 13.860 47.740 1.00 16.63 C ATOM 378 O ILE A 48 21.086 14.226 46.710 1.00 16.46 O ATOM 379 CB ILE A 48 20.390 11.289 47.533 1.00 18.01 C ATOM 380 CG1 ILE A 48 19.458 10.058 47.581 1.00 17.02 C ATOM 381 CG2 ILE A 48 21.488 11.175 48.601 1.00 19.83 C ATOM 382 CD1 ILE A 48 20.070 8.732 47.280 1.00 18.27 C ATOM 0 H ILE A 48 19.157 12.739 45.775 1.00 15.30 H new ATOM 0 HA ILE A 48 19.063 12.470 48.516 1.00 16.44 H new ATOM 0 HB ILE A 48 20.825 11.320 46.667 1.00 18.01 H new ATOM 0 HG12 ILE A 48 19.063 10.014 48.466 1.00 17.02 H new ATOM 0 HG13 ILE A 48 18.733 10.205 46.954 1.00 17.02 H new ATOM 0 HG21 ILE A 48 21.982 10.350 48.471 1.00 19.83 H new ATOM 0 HG22 ILE A 48 22.093 11.929 48.525 1.00 19.83 H new ATOM 0 HG23 ILE A 48 21.083 11.174 49.483 1.00 19.83 H new ATOM 0 HD11 ILE A 48 19.392 8.041 47.341 1.00 18.27 H new ATOM 0 HD12 ILE A 48 20.441 8.743 46.384 1.00 18.27 H new ATOM 0 HD13 ILE A 48 20.776 8.549 47.919 1.00 18.27 H new ATOM 383 N ALA A 49 20.514 14.533 48.897 1.00 15.62 N ATOM 384 CA ALA A 49 21.117 15.872 49.053 1.00 16.36 C ATOM 385 C ALA A 49 22.484 15.974 48.383 1.00 16.95 C ATOM 386 O ALA A 49 22.807 16.923 47.624 1.00 18.75 O ATOM 387 CB ALA A 49 21.228 16.235 50.586 1.00 16.68 C ATOM 0 H ALA A 49 20.184 14.221 49.627 1.00 15.62 H new ATOM 0 HA ALA A 49 20.535 16.508 48.609 1.00 16.36 H new ATOM 0 HB1 ALA A 49 21.625 17.115 50.682 1.00 16.68 H new ATOM 0 HB2 ALA A 49 20.343 16.234 50.984 1.00 16.68 H new ATOM 0 HB3 ALA A 49 21.784 15.579 51.035 1.00 16.68 H new ATOM 388 N LYS A 50 23.299 14.993 48.648 1.00 16.58 N ATOM 389 CA LYS A 50 24.664 15.010 48.119 1.00 16.14 C ATOM 390 C LYS A 50 24.734 15.234 46.586 1.00 16.80 C ATOM 391 O LYS A 50 25.723 15.795 46.057 1.00 13.24 O ATOM 392 CB LYS A 50 25.366 13.691 48.432 1.00 18.35 C ATOM 393 CG LYS A 50 26.900 13.803 48.292 1.00 18.12 C ATOM 394 CD LYS A 50 27.672 12.456 48.415 1.00 24.72 C ATOM 395 CE LYS A 50 27.489 11.751 49.727 1.00 24.18 C ATOM 396 NZ LYS A 50 28.247 10.450 49.758 1.00 20.97 N ATOM 0 H LYS A 50 23.101 14.306 49.126 1.00 16.58 H new ATOM 0 HA LYS A 50 25.102 15.759 48.552 1.00 16.14 H new ATOM 0 HB2 LYS A 50 25.144 13.414 49.335 1.00 18.35 H new ATOM 0 HB3 LYS A 50 25.037 13.001 47.835 1.00 18.35 H new ATOM 0 HG2 LYS A 50 27.105 14.200 47.431 1.00 18.12 H new ATOM 0 HG3 LYS A 50 27.230 14.412 48.971 1.00 18.12 H new ATOM 0 HD2 LYS A 50 27.385 11.866 47.701 1.00 24.72 H new ATOM 0 HD3 LYS A 50 28.618 12.625 48.281 1.00 24.72 H new ATOM 0 HE2 LYS A 50 27.793 12.323 50.449 1.00 24.18 H new ATOM 0 HE3 LYS A 50 26.546 11.582 49.877 1.00 24.18 H new ATOM 0 HZ1 LYS A 50 28.394 10.212 50.603 1.00 20.97 H new ATOM 0 HZ2 LYS A 50 27.770 9.819 49.351 1.00 20.97 H new ATOM 0 HZ3 LYS A 50 29.026 10.550 49.339 1.00 20.97 H new ATOM 397 N VAL A 51 23.719 14.774 45.858 1.00 14.60 N ATOM 398 CA VAL A 51 23.773 14.730 44.386 1.00 15.72 C ATOM 399 C VAL A 51 22.473 15.224 43.755 1.00 16.77 C ATOM 400 O VAL A 51 22.209 14.932 42.614 1.00 17.19 O ATOM 401 CB VAL A 51 24.071 13.284 43.837 1.00 16.91 C ATOM 402 CG1 VAL A 51 25.427 12.796 44.266 1.00 12.57 C ATOM 403 CG2 VAL A 51 23.041 12.276 44.271 1.00 10.21 C ATOM 0 H VAL A 51 22.984 14.480 46.194 1.00 14.60 H new ATOM 0 HA VAL A 51 24.502 15.320 44.138 1.00 15.72 H new ATOM 0 HB VAL A 51 24.041 13.364 42.871 1.00 16.91 H new ATOM 0 HG11 VAL A 51 25.578 11.906 43.912 1.00 12.57 H new ATOM 0 HG12 VAL A 51 26.109 13.397 43.929 1.00 12.57 H new ATOM 0 HG13 VAL A 51 25.470 12.770 45.235 1.00 12.57 H new ATOM 0 HG21 VAL A 51 23.268 11.405 43.909 1.00 10.21 H new ATOM 0 HG22 VAL A 51 23.023 12.228 45.240 1.00 10.21 H new ATOM 0 HG23 VAL A 51 22.168 12.544 43.944 1.00 10.21 H new ATOM 404 N ASN A 52 21.703 16.025 44.471 1.00 15.09 N ATOM 405 CA ASN A 52 20.354 16.369 44.010 1.00 15.31 C ATOM 406 C ASN A 52 20.345 17.336 42.808 1.00 16.29 C ATOM 407 O ASN A 52 21.383 17.739 42.322 1.00 15.00 O ATOM 408 CB ASN A 52 19.492 16.837 45.189 1.00 15.11 C ATOM 409 CG ASN A 52 19.848 18.170 45.699 1.00 23.25 C ATOM 410 OD1 ASN A 52 20.525 18.967 45.026 1.00 29.23 O ATOM 411 ND2 ASN A 52 19.339 18.487 46.890 1.00 18.59 N ATOM 0 H ASN A 52 21.932 16.381 45.220 1.00 15.09 H new ATOM 0 HA ASN A 52 19.947 15.562 43.658 1.00 15.31 H new ATOM 0 HB2 ASN A 52 18.562 16.844 44.915 1.00 15.11 H new ATOM 0 HB3 ASN A 52 19.570 16.193 45.910 1.00 15.11 H new ATOM 0 HD21 ASN A 52 19.474 19.269 47.221 1.00 18.59 H new ATOM 0 HD22 ASN A 52 18.875 17.909 47.327 1.00 18.59 H new ATOM 412 N LEU A 53 19.159 17.606 42.292 1.00 16.16 N ATOM 413 CA LEU A 53 18.992 18.468 41.130 1.00 17.16 C ATOM 414 C LEU A 53 19.856 19.770 41.269 1.00 15.86 C ATOM 415 O LEU A 53 20.606 20.120 40.348 1.00 17.04 O ATOM 416 CB LEU A 53 17.484 18.774 40.951 1.00 16.55 C ATOM 417 CG LEU A 53 17.027 19.162 39.545 1.00 17.71 C ATOM 418 CD1 LEU A 53 15.520 19.130 39.488 1.00 17.65 C ATOM 419 CD2 LEU A 53 17.582 20.544 39.180 1.00 20.19 C ATOM 0 H LEU A 53 18.422 17.294 42.606 1.00 16.16 H new ATOM 0 HA LEU A 53 19.311 18.017 40.332 1.00 17.16 H new ATOM 0 HB2 LEU A 53 16.981 17.992 41.228 1.00 16.55 H new ATOM 0 HB3 LEU A 53 17.247 19.494 41.556 1.00 16.55 H new ATOM 0 HG LEU A 53 17.369 18.529 38.894 1.00 17.71 H new ATOM 0 HD11 LEU A 53 15.224 19.376 38.597 1.00 17.65 H new ATOM 0 HD12 LEU A 53 15.207 18.236 39.697 1.00 17.65 H new ATOM 0 HD13 LEU A 53 15.158 19.758 40.133 1.00 17.65 H new ATOM 0 HD21 LEU A 53 17.289 20.785 38.287 1.00 20.19 H new ATOM 0 HD22 LEU A 53 17.257 21.201 39.815 1.00 20.19 H new ATOM 0 HD23 LEU A 53 18.551 20.521 39.207 1.00 20.19 H new ATOM 420 N SER A 54 19.825 20.375 42.461 1.00 12.83 N ATOM 421 CA SER A 54 20.418 21.677 42.723 1.00 17.07 C ATOM 422 C SER A 54 21.933 21.546 42.632 1.00 15.66 C ATOM 423 O SER A 54 22.582 22.451 42.167 1.00 16.51 O ATOM 424 CB SER A 54 20.012 22.200 44.083 1.00 19.62 C ATOM 425 OG SER A 54 18.582 22.385 44.065 1.00 25.42 O ATOM 0 H SER A 54 19.448 20.026 43.151 1.00 12.83 H new ATOM 0 HA SER A 54 20.099 22.313 42.063 1.00 17.07 H new ATOM 0 HB2 SER A 54 20.267 21.575 44.779 1.00 19.62 H new ATOM 0 HB3 SER A 54 20.462 23.037 44.275 1.00 19.62 H new ATOM 0 HG SER A 54 18.358 22.772 43.354 1.00 25.42 H new ATOM 426 N VAL A 55 22.448 20.394 43.044 1.00 13.20 N ATOM 427 CA VAL A 55 23.917 20.185 42.979 1.00 12.76 C ATOM 428 C VAL A 55 24.433 20.154 41.522 1.00 15.53 C ATOM 429 O VAL A 55 25.513 20.745 41.184 1.00 15.13 O ATOM 430 CB VAL A 55 24.278 18.893 43.680 1.00 16.47 C ATOM 431 CG1 VAL A 55 25.751 18.564 43.489 1.00 14.47 C ATOM 432 CG2 VAL A 55 23.945 19.016 45.172 1.00 18.86 C ATOM 0 H VAL A 55 21.994 19.734 43.356 1.00 13.20 H new ATOM 0 HA VAL A 55 24.343 20.934 43.424 1.00 12.76 H new ATOM 0 HB VAL A 55 23.761 18.169 43.293 1.00 16.47 H new ATOM 0 HG11 VAL A 55 25.959 17.734 43.946 1.00 14.47 H new ATOM 0 HG12 VAL A 55 25.941 18.468 42.543 1.00 14.47 H new ATOM 0 HG13 VAL A 55 26.293 19.280 43.857 1.00 14.47 H new ATOM 0 HG21 VAL A 55 24.175 18.189 45.624 1.00 18.86 H new ATOM 0 HG22 VAL A 55 24.452 19.747 45.558 1.00 18.86 H new ATOM 0 HG23 VAL A 55 22.997 19.189 45.279 1.00 18.86 H new ATOM 433 N LEU A 56 23.713 19.436 40.660 1.00 13.72 N ATOM 434 CA LEU A 56 24.058 19.381 39.251 1.00 15.07 C ATOM 435 C LEU A 56 23.853 20.748 38.631 1.00 15.69 C ATOM 436 O LEU A 56 24.654 21.181 37.822 1.00 14.16 O ATOM 437 CB LEU A 56 23.218 18.344 38.494 1.00 13.61 C ATOM 438 CG LEU A 56 23.710 16.871 38.558 1.00 14.71 C ATOM 439 CD1 LEU A 56 23.591 16.224 39.939 1.00 15.39 C ATOM 440 CD2 LEU A 56 23.005 16.013 37.516 1.00 15.13 C ATOM 0 H LEU A 56 23.020 18.974 40.877 1.00 13.72 H new ATOM 0 HA LEU A 56 24.988 19.114 39.182 1.00 15.07 H new ATOM 0 HB2 LEU A 56 22.312 18.377 38.840 1.00 13.61 H new ATOM 0 HB3 LEU A 56 23.176 18.610 37.562 1.00 13.61 H new ATOM 0 HG LEU A 56 24.659 16.914 38.362 1.00 14.71 H new ATOM 0 HD11 LEU A 56 23.916 15.311 39.898 1.00 15.39 H new ATOM 0 HD12 LEU A 56 24.120 16.726 40.579 1.00 15.39 H new ATOM 0 HD13 LEU A 56 22.662 16.224 40.217 1.00 15.39 H new ATOM 0 HD21 LEU A 56 23.328 15.100 37.576 1.00 15.13 H new ATOM 0 HD22 LEU A 56 22.049 16.028 37.677 1.00 15.13 H new ATOM 0 HD23 LEU A 56 23.188 16.363 36.630 1.00 15.13 H new ATOM 441 N ALA A 57 22.751 21.412 38.970 1.00 13.69 N ATOM 442 CA ALA A 57 22.410 22.706 38.367 1.00 15.93 C ATOM 443 C ALA A 57 23.476 23.791 38.595 1.00 20.25 C ATOM 444 O ALA A 57 23.674 24.653 37.725 1.00 16.45 O ATOM 445 CB ALA A 57 21.021 23.191 38.865 1.00 13.92 C ATOM 0 H ALA A 57 22.182 21.131 39.551 1.00 13.69 H new ATOM 0 HA ALA A 57 22.376 22.558 37.409 1.00 15.93 H new ATOM 0 HB1 ALA A 57 20.811 24.046 38.458 1.00 13.92 H new ATOM 0 HB2 ALA A 57 20.344 22.541 38.619 1.00 13.92 H new ATOM 0 HB3 ALA A 57 21.039 23.289 39.830 1.00 13.92 H new ATOM 446 N LYS A 58 24.192 23.707 39.721 1.00 17.00 N ATOM 447 CA LYS A 58 25.214 24.706 40.060 1.00 20.60 C ATOM 448 C LYS A 58 26.337 24.745 39.029 1.00 19.58 C ATOM 449 O LYS A 58 26.996 25.776 38.854 1.00 19.95 O ATOM 450 CB LYS A 58 25.804 24.468 41.460 1.00 20.04 C ATOM 451 CG LYS A 58 24.978 25.018 42.598 1.00 27.41 C ATOM 452 CD LYS A 58 25.125 26.530 42.712 1.00 34.72 C ATOM 453 CE LYS A 58 24.350 27.045 43.915 1.00 39.41 C ATOM 454 NZ LYS A 58 24.207 28.536 43.855 1.00 46.91 N ATOM 0 H LYS A 58 24.102 23.080 40.302 1.00 17.00 H new ATOM 0 HA LYS A 58 24.764 25.565 40.056 1.00 20.60 H new ATOM 0 HB2 LYS A 58 25.917 23.514 41.591 1.00 20.04 H new ATOM 0 HB3 LYS A 58 26.688 24.866 41.497 1.00 20.04 H new ATOM 0 HG2 LYS A 58 24.045 24.792 42.461 1.00 27.41 H new ATOM 0 HG3 LYS A 58 25.252 24.601 43.430 1.00 27.41 H new ATOM 0 HD2 LYS A 58 26.062 26.765 42.798 1.00 34.72 H new ATOM 0 HD3 LYS A 58 24.799 26.955 41.903 1.00 34.72 H new ATOM 0 HE2 LYS A 58 23.473 26.632 43.941 1.00 39.41 H new ATOM 0 HE3 LYS A 58 24.807 26.792 44.732 1.00 39.41 H new ATOM 0 HZ1 LYS A 58 23.752 28.820 44.565 1.00 46.91 H new ATOM 0 HZ2 LYS A 58 25.014 28.912 43.851 1.00 46.91 H new ATOM 0 HZ3 LYS A 58 23.770 28.763 43.113 1.00 46.91 H new ATOM 455 N HIS A 59 26.570 23.622 38.357 1.00 16.91 N ATOM 456 CA HIS A 59 27.576 23.577 37.276 1.00 16.21 C ATOM 457 C HIS A 59 27.173 24.463 36.126 1.00 15.72 C ATOM 458 O HIS A 59 28.002 24.860 35.335 1.00 18.26 O ATOM 459 CB HIS A 59 27.862 22.136 36.830 1.00 13.76 C ATOM 460 CG HIS A 59 28.566 21.347 37.878 1.00 14.68 C ATOM 461 ND1 HIS A 59 29.934 21.143 37.858 1.00 19.04 N ATOM 462 CD2 HIS A 59 28.119 20.790 39.030 1.00 13.41 C ATOM 463 CE1 HIS A 59 30.290 20.489 38.948 1.00 17.82 C ATOM 464 NE2 HIS A 59 29.218 20.268 39.680 1.00 20.81 N ATOM 0 H HIS A 59 26.165 22.877 38.503 1.00 16.91 H new ATOM 0 HA HIS A 59 28.409 23.927 37.628 1.00 16.21 H new ATOM 0 HB2 HIS A 59 27.026 21.698 36.605 1.00 13.76 H new ATOM 0 HB3 HIS A 59 28.400 22.151 36.023 1.00 13.76 H new ATOM 0 HD2 HIS A 59 27.238 20.765 39.326 1.00 13.41 H new ATOM 0 HE1 HIS A 59 31.156 20.227 39.164 1.00 17.82 H new ATOM 0 HE2 HIS A 59 29.205 19.864 40.439 1.00 20.81 H new ATOM 465 N PHE A 60 25.880 24.791 36.044 1.00 15.35 N ATOM 466 CA PHE A 60 25.392 25.632 34.954 1.00 13.48 C ATOM 467 C PHE A 60 25.048 27.061 35.427 1.00 13.69 C ATOM 468 O PHE A 60 25.355 28.045 34.731 1.00 15.20 O ATOM 469 CB PHE A 60 24.213 24.943 34.316 1.00 11.81 C ATOM 470 CG PHE A 60 24.534 23.589 33.736 1.00 12.91 C ATOM 471 CD1 PHE A 60 24.442 22.438 34.506 1.00 14.33 C ATOM 472 CD2 PHE A 60 24.982 23.482 32.435 1.00 11.41 C ATOM 473 CE1 PHE A 60 24.746 21.205 33.984 1.00 15.17 C ATOM 474 CE2 PHE A 60 25.290 22.265 31.883 1.00 11.33 C ATOM 475 CZ PHE A 60 25.193 21.116 32.644 1.00 15.15 C ATOM 0 H PHE A 60 25.278 24.539 36.604 1.00 15.35 H new ATOM 0 HA PHE A 60 26.095 25.744 34.295 1.00 13.48 H new ATOM 0 HB2 PHE A 60 23.511 24.843 34.978 1.00 11.81 H new ATOM 0 HB3 PHE A 60 23.860 25.510 33.613 1.00 11.81 H new ATOM 0 HD1 PHE A 60 24.169 22.503 35.393 1.00 14.33 H new ATOM 0 HD2 PHE A 60 25.077 24.252 31.922 1.00 11.41 H new ATOM 0 HE1 PHE A 60 24.659 20.439 34.504 1.00 15.17 H new ATOM 0 HE2 PHE A 60 25.564 22.213 30.996 1.00 11.33 H new ATOM 0 HZ PHE A 60 25.419 20.291 32.279 1.00 15.15 H new ATOM 476 N THR A 61 24.410 27.193 36.582 1.00 15.13 N ATOM 477 CA THR A 61 24.030 28.518 37.085 1.00 13.17 C ATOM 478 C THR A 61 25.275 29.328 37.431 1.00 17.33 C ATOM 479 O THR A 61 25.260 30.541 37.333 1.00 17.94 O ATOM 480 CB THR A 61 23.112 28.455 38.281 1.00 18.74 C ATOM 481 OG1 THR A 61 23.761 27.721 39.333 1.00 16.85 O ATOM 482 CG2 THR A 61 21.783 27.827 37.897 1.00 15.52 C ATOM 0 H THR A 61 24.187 26.537 37.091 1.00 15.13 H new ATOM 0 HA THR A 61 23.538 28.954 36.372 1.00 13.17 H new ATOM 0 HB THR A 61 22.924 29.352 38.600 1.00 18.74 H new ATOM 0 HG1 THR A 61 23.198 27.518 39.922 1.00 16.85 H new ATOM 0 HG21 THR A 61 21.204 27.793 38.675 1.00 15.52 H new ATOM 0 HG22 THR A 61 21.362 28.359 37.204 1.00 15.52 H new ATOM 0 HG23 THR A 61 21.933 26.927 37.567 1.00 15.52 H new ATOM 483 N SER A 62 26.379 28.653 37.724 1.00 16.86 N ATOM 484 CA SER A 62 27.616 29.353 38.016 1.00 18.41 C ATOM 485 C SER A 62 28.248 30.023 36.782 1.00 21.28 C ATOM 486 O SER A 62 29.105 30.885 36.938 1.00 22.60 O ATOM 487 CB SER A 62 28.586 28.376 38.641 1.00 17.49 C ATOM 488 OG SER A 62 29.030 27.458 37.656 1.00 23.63 O ATOM 0 H SER A 62 26.431 27.795 37.758 1.00 16.86 H new ATOM 0 HA SER A 62 27.408 30.075 38.630 1.00 18.41 H new ATOM 0 HB2 SER A 62 29.342 28.852 39.018 1.00 17.49 H new ATOM 0 HB3 SER A 62 28.158 27.901 39.370 1.00 17.49 H new ATOM 0 HG SER A 62 28.591 26.745 37.719 1.00 23.63 H new ATOM 489 N ILE A 63 27.847 29.632 35.569 1.00 20.94 N ATOM 490 CA ILE A 63 28.389 30.201 34.338 1.00 20.22 C ATOM 491 C ILE A 63 27.281 30.854 33.483 1.00 20.92 C ATOM 492 O ILE A 63 27.379 30.911 32.241 1.00 21.59 O ATOM 493 CB ILE A 63 29.147 29.145 33.509 1.00 21.26 C ATOM 494 CG1 ILE A 63 28.256 27.912 33.194 1.00 21.84 C ATOM 495 CG2 ILE A 63 30.425 28.694 34.251 1.00 25.91 C ATOM 496 CD1 ILE A 63 28.893 26.940 32.280 1.00 23.77 C ATOM 0 H ILE A 63 27.250 29.026 35.440 1.00 20.94 H new ATOM 0 HA ILE A 63 29.020 30.890 34.600 1.00 20.22 H new ATOM 0 HB ILE A 63 29.393 29.559 32.667 1.00 21.26 H new ATOM 0 HG12 ILE A 63 28.031 27.464 34.025 1.00 21.84 H new ATOM 0 HG13 ILE A 63 27.423 28.216 32.801 1.00 21.84 H new ATOM 0 HG21 ILE A 63 30.891 28.031 33.719 1.00 25.91 H new ATOM 0 HG22 ILE A 63 31.004 29.459 34.393 1.00 25.91 H new ATOM 0 HG23 ILE A 63 30.183 28.309 35.108 1.00 25.91 H new ATOM 0 HD11 ILE A 63 28.288 26.198 32.124 1.00 23.77 H new ATOM 0 HD12 ILE A 63 29.096 27.374 31.436 1.00 23.77 H new ATOM 0 HD13 ILE A 63 29.713 26.610 32.679 1.00 23.77 H new ATOM 497 N GLY A 64 26.199 31.271 34.133 1.00 20.15 N ATOM 498 CA GLY A 64 25.190 32.096 33.482 1.00 19.29 C ATOM 499 C GLY A 64 23.824 31.537 33.184 1.00 20.40 C ATOM 500 O GLY A 64 22.960 32.288 32.772 1.00 18.17 O ATOM 0 H GLY A 64 26.031 31.085 34.956 1.00 20.15 H new ATOM 0 HA2 GLY A 64 25.063 32.883 34.035 1.00 19.29 H new ATOM 0 HA3 GLY A 64 25.566 32.398 32.640 1.00 19.29 H new ATOM 501 N TYR A 65 23.604 30.234 33.396 1.00 17.63 N ATOM 502 CA TYR A 65 22.270 29.684 33.195 1.00 15.19 C ATOM 503 C TYR A 65 21.307 30.185 34.230 1.00 15.46 C ATOM 504 O TYR A 65 21.645 30.399 35.393 1.00 16.01 O ATOM 505 CB TYR A 65 22.303 28.129 33.168 1.00 14.91 C ATOM 506 CG TYR A 65 22.729 27.561 31.839 1.00 15.04 C ATOM 507 CD1 TYR A 65 24.086 27.455 31.466 1.00 13.58 C ATOM 508 CD2 TYR A 65 21.775 27.170 30.908 1.00 17.93 C ATOM 509 CE1 TYR A 65 24.445 26.935 30.170 1.00 16.21 C ATOM 510 CE2 TYR A 65 22.124 26.653 29.656 1.00 11.83 C ATOM 511 CZ TYR A 65 23.450 26.559 29.273 1.00 14.63 C ATOM 512 OH TYR A 65 23.697 26.061 27.992 1.00 14.01 O ATOM 0 H TYR A 65 24.200 29.669 33.650 1.00 17.63 H new ATOM 0 HA TYR A 65 21.956 29.991 32.330 1.00 15.19 H new ATOM 0 HB2 TYR A 65 22.909 27.813 33.856 1.00 14.91 H new ATOM 0 HB3 TYR A 65 21.422 27.790 33.389 1.00 14.91 H new ATOM 0 HD1 TYR A 65 24.751 27.722 32.059 1.00 13.58 H new ATOM 0 HD2 TYR A 65 20.874 27.255 31.124 1.00 17.93 H new ATOM 0 HE1 TYR A 65 25.341 26.851 29.934 1.00 16.21 H new ATOM 0 HE2 TYR A 65 21.457 26.369 29.074 1.00 11.83 H new ATOM 0 HH TYR A 65 23.081 25.534 27.772 1.00 14.01 H new ATOM 513 N VAL A 66 20.064 30.326 33.822 1.00 16.85 N ATOM 514 CA AVAL A 66 19.014 30.844 34.668 0.50 17.69 C ATOM 515 CA BVAL A 66 19.049 30.779 34.738 0.50 17.98 C ATOM 516 C VAL A 66 17.885 29.821 34.720 1.00 18.05 C ATOM 517 O VAL A 66 17.512 29.273 33.690 1.00 17.41 O ATOM 518 CB AVAL A 66 18.473 32.166 34.107 0.50 19.27 C ATOM 519 CB BVAL A 66 18.573 32.196 34.442 0.50 19.87 C ATOM 520 CG1AVAL A 66 17.286 32.674 34.953 0.50 13.73 C ATOM 521 CG1BVAL A 66 19.690 33.196 34.785 0.50 16.70 C ATOM 522 CG2AVAL A 66 19.617 33.218 34.014 0.50 20.65 C ATOM 523 CG2BVAL A 66 18.116 32.314 32.987 0.50 19.45 C ATOM 0 H AVAL A 66 19.801 30.119 33.030 0.50 16.85 H new ATOM 0 H BVAL A 66 19.789 30.165 33.023 0.50 16.85 H new ATOM 0 HA AVAL A 66 19.369 31.007 35.556 0.50 17.98 H new ATOM 0 HA BVAL A 66 19.448 30.800 35.622 0.50 17.98 H new ATOM 0 HB AVAL A 66 18.138 32.015 33.209 0.50 19.87 H new ATOM 0 HB BVAL A 66 17.805 32.406 34.996 0.50 19.87 H new ATOM 0 HG11AVAL A 66 16.959 33.509 34.583 0.50 16.70 H new ATOM 0 HG11BVAL A 66 19.386 34.098 34.596 0.50 16.70 H new ATOM 0 HG12AVAL A 66 16.575 32.015 34.941 0.50 16.70 H new ATOM 0 HG12BVAL A 66 19.914 33.121 35.726 0.50 16.70 H new ATOM 0 HG13AVAL A 66 17.578 32.818 35.867 0.50 16.70 H new ATOM 0 HG13BVAL A 66 20.475 33.001 34.249 0.50 16.70 H new ATOM 0 HG21AVAL A 66 19.265 34.049 33.659 0.50 19.45 H new ATOM 0 HG21BVAL A 66 17.816 33.220 32.814 0.50 19.45 H new ATOM 0 HG22AVAL A 66 19.985 33.375 34.898 0.50 19.45 H new ATOM 0 HG22BVAL A 66 18.856 32.100 32.397 0.50 19.45 H new ATOM 0 HG23AVAL A 66 20.315 32.886 33.428 0.50 19.45 H new ATOM 0 HG23BVAL A 66 17.386 31.696 32.826 0.50 19.45 H new ATOM 524 N ASP A 67 17.376 29.584 35.918 1.00 18.12 N ATOM 525 CA ASP A 67 16.222 28.752 36.162 1.00 19.28 C ATOM 526 C ASP A 67 15.040 29.250 35.340 1.00 18.45 C ATOM 527 O ASP A 67 14.651 30.388 35.487 1.00 19.96 O ATOM 528 CB ASP A 67 15.929 28.818 37.670 1.00 22.10 C ATOM 529 CG ASP A 67 14.820 27.915 38.086 1.00 28.12 C ATOM 530 OD1 ASP A 67 14.206 27.228 37.211 1.00 33.48 O ATOM 531 OD2 ASP A 67 14.577 27.884 39.306 1.00 26.03 O ATOM 0 H ASP A 67 17.709 29.918 36.637 1.00 18.12 H new ATOM 0 HA ASP A 67 16.384 27.833 35.898 1.00 19.28 H new ATOM 0 HB2 ASP A 67 16.732 28.584 38.161 1.00 22.10 H new ATOM 0 HB3 ASP A 67 15.705 29.730 37.911 1.00 22.10 H new ATOM 532 N SER A 68 14.484 28.405 34.475 1.00 16.27 N ATOM 533 CA SER A 68 13.517 28.814 33.468 1.00 18.61 C ATOM 534 C SER A 68 12.258 27.948 33.394 1.00 20.64 C ATOM 535 O SER A 68 11.397 28.234 32.584 1.00 22.29 O ATOM 536 CB SER A 68 14.172 28.855 32.072 1.00 20.10 C ATOM 537 OG SER A 68 15.234 29.811 32.026 1.00 23.06 O ATOM 0 H SER A 68 14.663 27.564 34.459 1.00 16.27 H new ATOM 0 HA SER A 68 13.230 29.697 33.749 1.00 18.61 H new ATOM 0 HB2 SER A 68 14.515 27.976 31.847 1.00 20.10 H new ATOM 0 HB3 SER A 68 13.504 29.078 31.405 1.00 20.10 H new ATOM 0 HG SER A 68 15.856 29.563 32.533 1.00 23.06 H new ATOM 538 N GLY A 69 12.133 26.895 34.199 1.00 19.77 N ATOM 539 CA GLY A 69 10.938 26.020 34.116 1.00 20.38 C ATOM 540 C GLY A 69 10.992 24.889 35.129 1.00 21.20 C ATOM 541 O GLY A 69 12.060 24.347 35.345 1.00 17.87 O ATOM 0 H GLY A 69 12.711 26.664 34.793 1.00 19.77 H new ATOM 0 HA2 GLY A 69 10.139 26.549 34.265 1.00 20.38 H new ATOM 0 HA3 GLY A 69 10.870 25.650 33.222 1.00 20.38 H new ATOM 542 N ASP A 70 9.862 24.589 35.781 1.00 18.89 N ATOM 543 CA ASP A 70 9.711 23.518 36.788 1.00 20.40 C ATOM 544 C ASP A 70 8.718 22.488 36.243 1.00 21.30 C ATOM 545 O ASP A 70 7.720 22.869 35.653 1.00 19.93 O ATOM 546 CB ASP A 70 9.172 24.096 38.105 1.00 19.62 C ATOM 547 CG ASP A 70 10.234 24.828 38.918 1.00 26.70 C ATOM 548 OD1 ASP A 70 11.395 24.923 38.450 1.00 21.35 O ATOM 549 OD2 ASP A 70 9.909 25.300 40.023 1.00 22.23 O ATOM 0 H ASP A 70 9.130 25.020 35.645 1.00 18.89 H new ATOM 0 HA ASP A 70 10.572 23.107 36.961 1.00 20.40 H new ATOM 0 HB2 ASP A 70 8.444 24.707 37.910 1.00 19.62 H new ATOM 0 HB3 ASP A 70 8.802 23.376 38.640 1.00 19.62 H new ATOM 550 N TYR A 71 9.020 21.204 36.408 1.00 19.84 N ATOM 551 CA TYR A 71 8.194 20.114 35.870 1.00 21.86 C ATOM 552 C TYR A 71 8.055 18.995 36.894 1.00 20.87 C ATOM 553 O TYR A 71 8.973 18.704 37.635 1.00 17.29 O ATOM 554 CB TYR A 71 8.860 19.511 34.629 1.00 21.94 C ATOM 555 CG TYR A 71 9.231 20.540 33.592 1.00 24.67 C ATOM 556 CD1 TYR A 71 8.298 20.984 32.669 1.00 24.13 C ATOM 557 CD2 TYR A 71 10.497 21.091 33.559 1.00 18.33 C ATOM 558 CE1 TYR A 71 8.639 21.955 31.713 1.00 31.25 C ATOM 559 CE2 TYR A 71 10.850 22.056 32.630 1.00 20.13 C ATOM 560 CZ TYR A 71 9.928 22.467 31.694 1.00 22.83 C ATOM 561 OH TYR A 71 10.267 23.433 30.787 1.00 24.95 O ATOM 0 H TYR A 71 9.714 20.934 36.838 1.00 19.84 H new ATOM 0 HA TYR A 71 7.325 20.485 35.651 1.00 21.86 H new ATOM 0 HB2 TYR A 71 9.658 19.031 34.899 1.00 21.94 H new ATOM 0 HB3 TYR A 71 8.260 18.862 34.231 1.00 21.94 H new ATOM 0 HD1 TYR A 71 7.436 20.635 32.683 1.00 24.13 H new ATOM 0 HD2 TYR A 71 11.130 20.806 34.178 1.00 18.33 H new ATOM 0 HE1 TYR A 71 8.007 22.252 31.099 1.00 31.25 H new ATOM 0 HE2 TYR A 71 11.704 22.424 32.639 1.00 20.13 H new ATOM 0 HH TYR A 71 10.967 23.822 31.040 1.00 24.95 H new ATOM 562 N LYS A 72 6.907 18.334 36.906 1.00 24.07 N ATOM 563 CA LYS A 72 6.738 17.100 37.660 1.00 23.09 C ATOM 564 C LYS A 72 6.264 16.008 36.702 1.00 25.92 C ATOM 565 O LYS A 72 5.344 16.234 35.927 1.00 27.10 O ATOM 566 CB LYS A 72 5.718 17.300 38.768 1.00 28.61 C ATOM 567 CG LYS A 72 5.549 16.053 39.705 1.00 34.26 C ATOM 568 CD LYS A 72 4.890 16.465 41.042 1.00 43.60 C ATOM 569 CE LYS A 72 5.311 15.569 42.232 1.00 50.52 C ATOM 570 NZ LYS A 72 5.604 16.400 43.460 1.00 48.76 N ATOM 0 H LYS A 72 6.205 18.587 36.479 1.00 24.07 H new ATOM 0 HA LYS A 72 7.581 16.842 38.065 1.00 23.09 H new ATOM 0 HB2 LYS A 72 5.981 18.064 39.305 1.00 28.61 H new ATOM 0 HB3 LYS A 72 4.859 17.515 38.371 1.00 28.61 H new ATOM 0 HG2 LYS A 72 5.006 15.381 39.264 1.00 34.26 H new ATOM 0 HG3 LYS A 72 6.415 15.650 39.876 1.00 34.26 H new ATOM 0 HD2 LYS A 72 5.122 17.386 41.240 1.00 43.60 H new ATOM 0 HD3 LYS A 72 3.926 16.431 40.944 1.00 43.60 H new ATOM 0 HE2 LYS A 72 4.605 14.934 42.428 1.00 50.52 H new ATOM 0 HE3 LYS A 72 6.097 15.054 41.991 1.00 50.52 H new ATOM 0 HZ1 LYS A 72 5.843 15.866 44.130 1.00 48.76 H new ATOM 0 HZ2 LYS A 72 6.266 16.968 43.283 1.00 48.76 H new ATOM 0 HZ3 LYS A 72 4.875 16.856 43.691 1.00 48.76 H new ATOM 571 N PHE A 73 6.892 14.843 36.737 1.00 25.60 N ATOM 572 CA PHE A 73 6.416 13.678 35.959 1.00 26.99 C ATOM 573 C PHE A 73 5.950 12.551 36.888 1.00 25.24 C ATOM 574 O PHE A 73 6.750 11.842 37.477 1.00 24.05 O ATOM 575 CB PHE A 73 7.534 13.245 35.015 1.00 26.67 C ATOM 576 CG PHE A 73 7.926 14.331 34.053 1.00 32.99 C ATOM 577 CD1 PHE A 73 7.134 14.606 32.943 1.00 40.56 C ATOM 578 CD2 PHE A 73 9.044 15.122 34.279 1.00 27.02 C ATOM 579 CE1 PHE A 73 7.475 15.645 32.061 1.00 39.87 C ATOM 580 CE2 PHE A 73 9.403 16.144 33.393 1.00 30.52 C ATOM 581 CZ PHE A 73 8.620 16.406 32.290 1.00 34.56 C ATOM 0 H PHE A 73 7.599 14.693 37.203 1.00 25.60 H new ATOM 0 HA PHE A 73 5.640 13.917 35.428 1.00 26.99 H new ATOM 0 HB2 PHE A 73 8.309 12.982 35.535 1.00 26.67 H new ATOM 0 HB3 PHE A 73 7.248 12.463 34.517 1.00 26.67 H new ATOM 0 HD1 PHE A 73 6.372 14.097 32.783 1.00 40.56 H new ATOM 0 HD2 PHE A 73 9.565 14.970 35.034 1.00 27.02 H new ATOM 0 HE1 PHE A 73 6.937 15.825 31.324 1.00 39.87 H new ATOM 0 HE2 PHE A 73 10.170 16.646 33.549 1.00 30.52 H new ATOM 0 HZ PHE A 73 8.854 17.087 31.701 1.00 34.56 H new ATOM 582 N GLU A 74 4.640 12.403 37.030 1.00 26.72 N ATOM 583 CA GLU A 74 4.081 11.558 38.094 1.00 29.58 C ATOM 584 C GLU A 74 4.342 10.082 37.892 1.00 30.22 C ATOM 585 O GLU A 74 4.800 9.403 38.801 1.00 32.46 O ATOM 586 CB GLU A 74 2.572 11.769 38.237 1.00 31.26 C ATOM 587 CG GLU A 74 2.093 11.579 39.664 1.00 40.86 C ATOM 588 CD GLU A 74 2.671 12.640 40.592 1.00 53.67 C ATOM 589 OE1 GLU A 74 2.655 13.832 40.195 1.00 54.07 O ATOM 590 OE2 GLU A 74 3.159 12.278 41.693 1.00 55.97 O ATOM 0 H GLU A 74 4.054 12.779 36.526 1.00 26.72 H new ATOM 0 HA GLU A 74 4.539 11.836 38.903 1.00 29.58 H new ATOM 0 HB2 GLU A 74 2.343 12.663 37.938 1.00 31.26 H new ATOM 0 HB3 GLU A 74 2.105 11.148 37.656 1.00 31.26 H new ATOM 0 HG2 GLU A 74 1.124 11.618 39.689 1.00 40.86 H new ATOM 0 HG3 GLU A 74 2.350 10.698 39.978 1.00 40.86 H new ATOM 591 N GLN A 75 4.088 9.595 36.690 1.00 28.57 N ATOM 592 CA GLN A 75 4.231 8.184 36.389 1.00 31.40 C ATOM 593 C GLN A 75 5.678 7.704 36.556 1.00 29.77 C ATOM 594 O GLN A 75 5.927 6.613 37.052 1.00 27.78 O ATOM 595 CB GLN A 75 3.754 7.911 34.956 1.00 35.22 C ATOM 596 CG GLN A 75 3.999 6.483 34.480 1.00 46.39 C ATOM 597 CD GLN A 75 2.909 5.992 33.541 1.00 55.63 C ATOM 598 OE1 GLN A 75 2.491 6.708 32.624 1.00 58.85 O ATOM 599 NE2 GLN A 75 2.437 4.768 33.772 1.00 60.13 N ATOM 0 H GLN A 75 3.827 10.074 36.025 1.00 28.57 H new ATOM 0 HA GLN A 75 3.685 7.690 37.020 1.00 31.40 H new ATOM 0 HB2 GLN A 75 2.805 8.102 34.899 1.00 35.22 H new ATOM 0 HB3 GLN A 75 4.203 8.524 34.353 1.00 35.22 H new ATOM 0 HG2 GLN A 75 4.856 6.438 34.029 1.00 46.39 H new ATOM 0 HG3 GLN A 75 4.051 5.893 35.248 1.00 46.39 H new ATOM 0 HE21 GLN A 75 2.754 4.300 34.420 1.00 60.13 H new ATOM 0 HE22 GLN A 75 1.815 4.446 33.273 1.00 60.13 H new ATOM 600 N LYS A 76 6.629 8.533 36.150 1.00 27.07 N ATOM 601 CA LYS A 76 8.044 8.171 36.235 1.00 25.00 C ATOM 602 C LYS A 76 8.683 8.536 37.582 1.00 21.05 C ATOM 603 O LYS A 76 9.868 8.231 37.803 1.00 19.72 O ATOM 604 CB LYS A 76 8.810 8.839 35.095 1.00 28.17 C ATOM 605 CG LYS A 76 8.666 8.149 33.719 1.00 31.81 C ATOM 606 CD LYS A 76 9.257 9.034 32.634 1.00 31.66 C ATOM 607 CE LYS A 76 9.280 8.392 31.252 1.00 36.17 C ATOM 608 NZ LYS A 76 9.414 9.465 30.198 1.00 37.17 N ATOM 0 H LYS A 76 6.479 9.313 35.821 1.00 27.07 H new ATOM 0 HA LYS A 76 8.096 7.205 36.159 1.00 25.00 H new ATOM 0 HB2 LYS A 76 8.508 9.757 35.015 1.00 28.17 H new ATOM 0 HB3 LYS A 76 9.751 8.870 35.330 1.00 28.17 H new ATOM 0 HG2 LYS A 76 9.118 7.291 33.730 1.00 31.81 H new ATOM 0 HG3 LYS A 76 7.730 7.975 33.532 1.00 31.81 H new ATOM 0 HD2 LYS A 76 8.747 9.858 32.589 1.00 31.66 H new ATOM 0 HD3 LYS A 76 10.163 9.274 32.884 1.00 31.66 H new ATOM 0 HE2 LYS A 76 10.020 7.768 31.187 1.00 36.17 H new ATOM 0 HE3 LYS A 76 8.467 7.884 31.108 1.00 36.17 H new ATOM 0 HZ1 LYS A 76 9.240 9.118 29.397 1.00 37.17 H new ATOM 0 HZ2 LYS A 76 8.838 10.122 30.368 1.00 37.17 H new ATOM 0 HZ3 LYS A 76 10.243 9.788 30.207 1.00 37.17 H new ATOM 609 N LYS A 77 7.916 9.214 38.440 1.00 19.68 N ATOM 610 CA LYS A 77 8.342 9.622 39.797 1.00 19.20 C ATOM 611 C LYS A 77 9.507 10.609 39.749 1.00 15.83 C ATOM 612 O LYS A 77 10.544 10.427 40.390 1.00 17.69 O ATOM 613 CB LYS A 77 8.672 8.399 40.675 1.00 16.83 C ATOM 614 CG LYS A 77 7.561 7.327 40.733 1.00 24.53 C ATOM 615 CD LYS A 77 6.216 7.904 41.082 1.00 33.34 C ATOM 616 CE LYS A 77 5.121 6.808 41.048 1.00 36.97 C ATOM 617 NZ LYS A 77 3.838 7.257 40.407 1.00 44.15 N ATOM 0 H LYS A 77 7.113 9.458 38.250 1.00 19.68 H new ATOM 0 HA LYS A 77 7.594 10.082 40.209 1.00 19.20 H new ATOM 0 HB2 LYS A 77 9.485 7.987 40.342 1.00 16.83 H new ATOM 0 HB3 LYS A 77 8.857 8.704 41.577 1.00 16.83 H new ATOM 0 HG2 LYS A 77 7.504 6.879 39.875 1.00 24.53 H new ATOM 0 HG3 LYS A 77 7.800 6.654 41.389 1.00 24.53 H new ATOM 0 HD2 LYS A 77 6.251 8.305 41.965 1.00 33.34 H new ATOM 0 HD3 LYS A 77 5.991 8.611 40.458 1.00 33.34 H new ATOM 0 HE2 LYS A 77 5.461 6.037 40.568 1.00 36.97 H new ATOM 0 HE3 LYS A 77 4.936 6.518 41.955 1.00 36.97 H new ATOM 0 HZ1 LYS A 77 3.481 6.581 39.952 1.00 44.15 H new ATOM 0 HZ2 LYS A 77 3.269 7.524 41.037 1.00 44.15 H new ATOM 0 HZ3 LYS A 77 4.004 7.933 39.852 1.00 44.15 H new ATOM 618 N LEU A 78 9.343 11.636 38.931 1.00 18.53 N ATOM 619 CA LEU A 78 10.433 12.575 38.645 1.00 17.18 C ATOM 620 C LEU A 78 9.994 14.009 38.881 1.00 17.48 C ATOM 621 O LEU A 78 8.826 14.352 38.635 1.00 20.73 O ATOM 622 CB LEU A 78 10.817 12.508 37.169 1.00 16.39 C ATOM 623 CG LEU A 78 11.420 11.246 36.545 1.00 24.88 C ATOM 624 CD1 LEU A 78 11.778 11.478 35.059 1.00 20.31 C ATOM 625 CD2 LEU A 78 12.661 10.817 37.342 1.00 18.56 C ATOM 0 H LEU A 78 8.606 11.814 38.525 1.00 18.53 H new ATOM 0 HA LEU A 78 11.169 12.329 39.226 1.00 17.18 H new ATOM 0 HB2 LEU A 78 10.017 12.716 36.662 1.00 16.39 H new ATOM 0 HB3 LEU A 78 11.448 13.227 37.011 1.00 16.39 H new ATOM 0 HG LEU A 78 10.760 10.536 36.581 1.00 24.88 H new ATOM 0 HD11 LEU A 78 12.157 10.666 34.687 1.00 20.31 H new ATOM 0 HD12 LEU A 78 10.977 11.716 34.566 1.00 20.31 H new ATOM 0 HD13 LEU A 78 12.425 12.198 34.990 1.00 20.31 H new ATOM 0 HD21 LEU A 78 13.041 10.018 36.945 1.00 18.56 H new ATOM 0 HD22 LEU A 78 13.319 11.530 37.325 1.00 18.56 H new ATOM 0 HD23 LEU A 78 12.408 10.632 38.260 1.00 18.56 H new ATOM 626 N ILE A 79 10.934 14.825 39.350 1.00 19.03 N ATOM 627 CA AILE A 79 10.770 16.261 39.170 0.50 18.34 C ATOM 628 CA BILE A 79 10.872 16.288 39.333 0.50 18.34 C ATOM 629 C ILE A 79 11.919 16.767 38.318 1.00 17.90 C ATOM 630 O ILE A 79 13.003 16.161 38.215 1.00 19.11 O ATOM 631 CB AILE A 79 10.628 17.068 40.483 0.50 18.33 C ATOM 632 CB BILE A 79 11.213 16.865 40.761 0.50 16.74 C ATOM 633 CG1AILE A 79 11.877 16.926 41.358 0.50 13.49 C ATOM 634 CG1BILE A 79 9.966 16.852 41.660 0.50 17.66 C ATOM 635 CG2AILE A 79 9.335 16.648 41.221 0.50 14.63 C ATOM 636 CG2BILE A 79 11.790 18.293 40.702 0.50 13.94 C ATOM 637 CD1AILE A 79 12.061 18.093 42.356 0.50 13.42 C ATOM 638 CD1BILE A 79 10.242 17.285 43.107 0.50 18.55 C ATOM 0 H AILE A 79 11.649 14.579 39.760 0.50 19.03 H new ATOM 0 H BILE A 79 11.660 14.529 39.704 0.50 19.03 H new ATOM 0 HA AILE A 79 9.921 16.404 38.722 0.50 18.34 H new ATOM 0 HA BILE A 79 9.983 16.592 39.091 0.50 18.34 H new ATOM 0 HB AILE A 79 10.552 18.011 40.270 0.50 16.74 H new ATOM 0 HB BILE A 79 11.896 16.287 41.136 0.50 16.74 H new ATOM 0 HG12AILE A 79 11.826 16.092 41.851 0.50 17.66 H new ATOM 0 HG12BILE A 79 9.296 17.440 41.278 0.50 17.66 H new ATOM 0 HG13AILE A 79 12.659 16.870 40.787 0.50 17.66 H new ATOM 0 HG13BILE A 79 9.590 15.958 41.665 0.50 17.66 H new ATOM 0 HG21AILE A 79 9.251 17.157 42.043 0.50 13.94 H new ATOM 0 HG21BILE A 79 11.983 18.602 41.601 0.50 13.94 H new ATOM 0 HG22AILE A 79 8.567 16.822 40.654 0.50 13.94 H new ATOM 0 HG22BILE A 79 12.607 18.291 40.179 0.50 13.94 H new ATOM 0 HG23AILE A 79 9.374 15.702 41.430 0.50 13.94 H new ATOM 0 HG23BILE A 79 11.144 18.886 40.288 0.50 13.94 H new ATOM 0 HD11AILE A 79 12.865 17.948 42.880 0.50 18.55 H new ATOM 0 HD11BILE A 79 9.417 17.254 43.617 0.50 18.55 H new ATOM 0 HD12AILE A 79 12.140 18.927 41.868 0.50 18.55 H new ATOM 0 HD12BILE A 79 10.891 16.685 43.506 0.50 18.55 H new ATOM 0 HD13AILE A 79 11.294 18.137 42.948 0.50 18.55 H new ATOM 0 HD13BILE A 79 10.592 18.190 43.113 0.50 18.55 H new ATOM 639 N ALA A 80 11.674 17.871 37.633 1.00 16.76 N ATOM 640 CA ALA A 80 12.758 18.383 36.793 1.00 16.99 C ATOM 641 C ALA A 80 12.645 19.887 36.667 1.00 17.39 C ATOM 642 O ALA A 80 11.596 20.516 36.997 1.00 15.33 O ATOM 643 CB ALA A 80 12.725 17.720 35.396 1.00 14.33 C ATOM 0 H ALA A 80 10.940 18.319 37.632 1.00 16.76 H new ATOM 0 HA ALA A 80 13.606 18.165 37.211 1.00 16.99 H new ATOM 0 HB1 ALA A 80 13.449 18.071 34.854 1.00 14.33 H new ATOM 0 HB2 ALA A 80 12.828 16.760 35.491 1.00 14.33 H new ATOM 0 HB3 ALA A 80 11.877 17.913 34.966 1.00 14.33 H new ATOM 644 N LYS A 81 13.716 20.460 36.154 1.00 15.28 N ATOM 645 CA LYS A 81 13.756 21.894 35.825 1.00 16.43 C ATOM 646 C LYS A 81 14.573 22.022 34.535 1.00 18.02 C ATOM 647 O LYS A 81 15.419 21.123 34.226 1.00 15.90 O ATOM 648 CB LYS A 81 14.469 22.705 36.921 1.00 15.71 C ATOM 649 CG LYS A 81 13.927 22.615 38.377 1.00 14.40 C ATOM 650 CD LYS A 81 14.881 23.306 39.417 1.00 16.68 C ATOM 651 CE LYS A 81 14.867 24.804 39.359 1.00 15.48 C ATOM 652 NZ LYS A 81 13.525 25.444 39.665 1.00 18.26 N ATOM 0 H LYS A 81 14.446 20.039 35.982 1.00 15.28 H new ATOM 0 HA LYS A 81 12.852 22.233 35.737 1.00 16.43 H new ATOM 0 HB2 LYS A 81 15.399 22.430 36.934 1.00 15.71 H new ATOM 0 HB3 LYS A 81 14.452 23.638 36.656 1.00 15.71 H new ATOM 0 HG2 LYS A 81 13.052 23.031 38.419 1.00 14.40 H new ATOM 0 HG3 LYS A 81 13.811 21.683 38.619 1.00 14.40 H new ATOM 0 HD2 LYS A 81 14.628 23.024 40.310 1.00 16.68 H new ATOM 0 HD3 LYS A 81 15.787 22.995 39.267 1.00 16.68 H new ATOM 0 HE2 LYS A 81 15.524 25.145 39.986 1.00 15.48 H new ATOM 0 HE3 LYS A 81 15.149 25.083 38.474 1.00 15.48 H new ATOM 0 HZ1 LYS A 81 13.612 26.330 39.667 1.00 18.26 H new ATOM 0 HZ2 LYS A 81 12.934 25.206 39.044 1.00 18.26 H new ATOM 0 HZ3 LYS A 81 13.241 25.172 40.464 1.00 18.26 H new ATOM 653 N HIS A 82 14.326 23.113 33.804 1.00 17.01 N ATOM 654 CA HIS A 82 15.200 23.487 32.718 1.00 16.44 C ATOM 655 C HIS A 82 15.763 24.875 32.951 1.00 16.33 C ATOM 656 O HIS A 82 15.163 25.696 33.657 1.00 13.41 O ATOM 657 CB HIS A 82 14.531 23.284 31.327 1.00 17.81 C ATOM 658 CG HIS A 82 13.953 24.519 30.722 1.00 18.34 C ATOM 659 ND1 HIS A 82 12.616 24.860 30.836 1.00 14.63 N ATOM 660 CD2 HIS A 82 14.527 25.474 29.951 1.00 15.42 C ATOM 661 CE1 HIS A 82 12.412 26.000 30.182 1.00 18.76 C ATOM 662 NE2 HIS A 82 13.559 26.389 29.629 1.00 21.75 N ATOM 0 H HIS A 82 13.658 23.640 33.928 1.00 17.01 H new ATOM 0 HA HIS A 82 15.960 22.885 32.704 1.00 16.44 H new ATOM 0 HB2 HIS A 82 15.190 22.918 30.716 1.00 17.81 H new ATOM 0 HB3 HIS A 82 13.827 22.622 31.415 1.00 17.81 H new ATOM 0 HD2 HIS A 82 15.418 25.503 29.687 1.00 15.42 H new ATOM 0 HE1 HIS A 82 11.601 26.451 30.121 1.00 18.76 H new ATOM 0 HE2 HIS A 82 13.673 27.095 29.151 1.00 21.75 H new ATOM 663 N PHE A 83 16.977 25.064 32.393 1.00 14.33 N ATOM 664 CA PHE A 83 17.781 26.267 32.514 1.00 14.98 C ATOM 665 C PHE A 83 18.136 26.795 31.124 1.00 14.45 C ATOM 666 O PHE A 83 18.385 26.009 30.199 1.00 14.96 O ATOM 667 CB PHE A 83 19.071 25.990 33.328 1.00 17.73 C ATOM 668 CG PHE A 83 18.808 25.389 34.679 1.00 16.82 C ATOM 669 CD1 PHE A 83 18.521 24.018 34.793 1.00 16.98 C ATOM 670 CD2 PHE A 83 18.795 26.172 35.813 1.00 16.31 C ATOM 671 CE1 PHE A 83 18.225 23.458 36.013 1.00 16.83 C ATOM 672 CE2 PHE A 83 18.506 25.620 37.070 1.00 15.69 C ATOM 673 CZ PHE A 83 18.227 24.246 37.166 1.00 13.76 C ATOM 0 H PHE A 83 17.358 24.459 31.915 1.00 14.33 H new ATOM 0 HA PHE A 83 17.264 26.937 32.988 1.00 14.98 H new ATOM 0 HB2 PHE A 83 19.643 25.392 32.821 1.00 17.73 H new ATOM 0 HB3 PHE A 83 19.559 26.821 33.441 1.00 17.73 H new ATOM 0 HD1 PHE A 83 18.531 23.482 34.033 1.00 16.98 H new ATOM 0 HD2 PHE A 83 18.981 27.081 35.744 1.00 16.31 H new ATOM 0 HE1 PHE A 83 18.023 22.552 36.071 1.00 16.83 H new ATOM 0 HE2 PHE A 83 18.499 26.156 37.830 1.00 15.69 H new ATOM 0 HZ PHE A 83 18.045 23.863 37.994 1.00 13.76 H new ATOM 674 N GLU A 84 18.170 28.130 31.012 1.00 16.70 N ATOM 675 CA GLU A 84 18.470 28.848 29.783 1.00 16.16 C ATOM 676 C GLU A 84 19.641 29.821 29.972 1.00 17.71 C ATOM 677 O GLU A 84 19.809 30.401 31.066 1.00 16.66 O ATOM 678 CB GLU A 84 17.251 29.645 29.339 1.00 18.47 C ATOM 679 CG GLU A 84 16.101 28.742 28.904 1.00 17.13 C ATOM 680 CD GLU A 84 14.843 29.499 28.527 1.00 25.52 C ATOM 681 OE1 GLU A 84 14.887 30.751 28.429 1.00 26.21 O ATOM 682 OE2 GLU A 84 13.801 28.816 28.349 1.00 25.23 O ATOM 0 H GLU A 84 18.013 28.653 31.677 1.00 16.70 H new ATOM 0 HA GLU A 84 18.711 28.190 29.113 1.00 16.16 H new ATOM 0 HB2 GLU A 84 16.956 30.214 30.067 1.00 18.47 H new ATOM 0 HB3 GLU A 84 17.498 30.229 28.605 1.00 18.47 H new ATOM 0 HG2 GLU A 84 16.388 28.209 28.146 1.00 17.13 H new ATOM 0 HG3 GLU A 84 15.895 28.125 29.623 1.00 17.13 H new ATOM 683 N HIS A 85 20.462 29.932 28.922 1.00 17.83 N ATOM 684 CA HIS A 85 21.651 30.788 28.911 1.00 19.14 C ATOM 685 C HIS A 85 21.313 32.051 28.071 1.00 20.48 C ATOM 686 O HIS A 85 20.457 31.983 27.163 1.00 19.46 O ATOM 687 CB HIS A 85 22.831 30.021 28.326 1.00 20.09 C ATOM 688 CG HIS A 85 24.145 30.708 28.472 1.00 18.00 C ATOM 689 ND1 HIS A 85 24.586 31.664 27.585 1.00 17.98 N ATOM 690 CD2 HIS A 85 25.126 30.571 29.400 1.00 29.60 C ATOM 691 CE1 HIS A 85 25.789 32.084 27.952 1.00 24.58 C ATOM 692 NE2 HIS A 85 26.141 31.437 29.054 1.00 24.57 N ATOM 0 H HIS A 85 20.340 29.505 28.186 1.00 17.83 H new ATOM 0 HA HIS A 85 21.901 31.057 29.809 1.00 19.14 H new ATOM 0 HB2 HIS A 85 22.883 29.153 28.755 1.00 20.09 H new ATOM 0 HB3 HIS A 85 22.664 29.862 27.384 1.00 20.09 H new ATOM 0 HD2 HIS A 85 25.115 29.999 30.133 1.00 29.60 H new ATOM 0 HE1 HIS A 85 26.299 32.724 27.511 1.00 24.58 H new ATOM 0 HE2 HIS A 85 26.880 31.540 29.482 1.00 24.57 H new ATOM 693 N PRO A 86 21.920 33.206 28.413 1.00 20.31 N ATOM 694 CA PRO A 86 21.616 34.438 27.628 1.00 18.90 C ATOM 695 C PRO A 86 22.005 34.357 26.137 1.00 19.37 C ATOM 696 O PRO A 86 21.421 35.061 25.304 1.00 18.03 O ATOM 697 CB PRO A 86 22.405 35.543 28.349 1.00 22.30 C ATOM 698 CG PRO A 86 23.254 34.863 29.403 1.00 25.25 C ATOM 699 CD PRO A 86 22.654 33.509 29.667 1.00 19.01 C ATOM 0 HA PRO A 86 20.659 34.595 27.600 1.00 18.90 H new ATOM 0 HB2 PRO A 86 22.961 36.032 27.723 1.00 22.30 H new ATOM 0 HB3 PRO A 86 21.803 36.186 28.755 1.00 22.30 H new ATOM 0 HG2 PRO A 86 24.171 34.776 29.098 1.00 25.25 H new ATOM 0 HG3 PRO A 86 23.275 35.391 30.216 1.00 25.25 H new ATOM 0 HD2 PRO A 86 23.337 32.845 29.851 1.00 19.01 H new ATOM 0 HD3 PRO A 86 22.060 33.525 30.434 1.00 19.01 H new ATOM 700 N ASP A 87 22.991 33.520 25.816 1.00 17.01 N ATOM 701 CA ASP A 87 23.372 33.229 24.432 1.00 17.99 C ATOM 702 C ASP A 87 22.484 32.121 23.832 1.00 20.24 C ATOM 703 O ASP A 87 22.556 30.937 24.252 1.00 15.93 O ATOM 704 CB ASP A 87 24.827 32.799 24.420 1.00 18.74 C ATOM 705 CG ASP A 87 25.369 32.494 23.025 1.00 23.15 C ATOM 706 OD1 ASP A 87 24.637 32.522 22.027 1.00 21.76 O ATOM 707 OD2 ASP A 87 26.556 32.166 22.965 1.00 30.63 O ATOM 0 H ASP A 87 23.462 33.101 26.400 1.00 17.01 H new ATOM 0 HA ASP A 87 23.250 34.024 23.890 1.00 17.99 H new ATOM 0 HB2 ASP A 87 25.366 33.499 24.821 1.00 18.74 H new ATOM 0 HB3 ASP A 87 24.927 32.011 24.976 1.00 18.74 H new ATOM 708 N PRO A 88 21.663 32.480 22.832 1.00 20.25 N ATOM 709 CA PRO A 88 20.741 31.492 22.230 1.00 20.18 C ATOM 710 C PRO A 88 21.419 30.339 21.500 1.00 18.22 C ATOM 711 O PRO A 88 20.779 29.333 21.269 1.00 22.14 O ATOM 712 CB PRO A 88 19.915 32.333 21.253 1.00 22.15 C ATOM 713 CG PRO A 88 20.860 33.386 20.824 1.00 21.68 C ATOM 714 CD PRO A 88 21.619 33.761 22.093 1.00 22.01 C ATOM 0 HA PRO A 88 20.227 31.044 22.920 1.00 20.18 H new ATOM 0 HB2 PRO A 88 19.603 31.805 20.502 1.00 22.15 H new ATOM 0 HB3 PRO A 88 19.130 32.710 21.680 1.00 22.15 H new ATOM 0 HG2 PRO A 88 21.462 33.061 20.136 1.00 21.68 H new ATOM 0 HG3 PRO A 88 20.392 34.151 20.454 1.00 21.68 H new ATOM 0 HD2 PRO A 88 22.508 34.095 21.896 1.00 22.01 H new ATOM 0 HD3 PRO A 88 21.161 34.452 22.596 1.00 22.01 H new ATOM 715 N LYS A 89 22.711 30.442 21.169 1.00 17.02 N ATOM 716 CA LYS A 89 23.442 29.301 20.607 1.00 20.10 C ATOM 717 C LYS A 89 23.645 28.158 21.618 1.00 18.32 C ATOM 718 O LYS A 89 23.931 27.038 21.219 1.00 22.98 O ATOM 719 CB LYS A 89 24.828 29.715 20.117 1.00 18.79 C ATOM 720 CG LYS A 89 24.816 30.659 18.910 1.00 35.29 C ATOM 721 CD LYS A 89 26.223 30.788 18.303 1.00 42.78 C ATOM 722 CE LYS A 89 26.284 31.819 17.163 1.00 55.53 C ATOM 723 NZ LYS A 89 26.337 33.242 17.640 1.00 56.05 N ATOM 0 H LYS A 89 23.179 31.158 21.261 1.00 17.02 H new ATOM 0 HA LYS A 89 22.890 28.988 19.873 1.00 20.10 H new ATOM 0 HB2 LYS A 89 25.302 30.145 20.846 1.00 18.79 H new ATOM 0 HB3 LYS A 89 25.329 28.917 19.885 1.00 18.79 H new ATOM 0 HG2 LYS A 89 24.199 30.326 18.240 1.00 35.29 H new ATOM 0 HG3 LYS A 89 24.495 31.533 19.181 1.00 35.29 H new ATOM 0 HD2 LYS A 89 26.849 31.043 18.999 1.00 42.78 H new ATOM 0 HD3 LYS A 89 26.507 29.923 17.968 1.00 42.78 H new ATOM 0 HE2 LYS A 89 27.065 31.640 16.617 1.00 55.53 H new ATOM 0 HE3 LYS A 89 25.507 31.706 16.593 1.00 55.53 H new ATOM 0 HZ1 LYS A 89 26.371 33.789 16.939 1.00 56.05 H new ATOM 0 HZ2 LYS A 89 25.610 33.421 18.121 1.00 56.05 H new ATOM 0 HZ3 LYS A 89 27.062 33.360 18.143 1.00 56.05 H new ATOM 724 N GLN A 90 23.570 28.473 22.913 1.00 14.80 N ATOM 725 CA GLN A 90 23.855 27.496 23.936 1.00 17.03 C ATOM 726 C GLN A 90 22.622 26.639 24.171 1.00 15.78 C ATOM 727 O GLN A 90 21.493 27.099 24.037 1.00 18.12 O ATOM 728 CB GLN A 90 24.366 28.165 25.224 1.00 13.58 C ATOM 729 CG GLN A 90 25.687 28.951 25.072 1.00 18.92 C ATOM 730 CD GLN A 90 26.833 28.089 24.639 1.00 21.68 C ATOM 731 OE1 GLN A 90 26.828 26.871 24.826 1.00 22.52 O ATOM 732 NE2 GLN A 90 27.823 28.707 24.043 1.00 24.22 N ATOM 0 H GLN A 90 23.355 29.251 23.210 1.00 14.80 H new ATOM 0 HA GLN A 90 24.572 26.915 23.636 1.00 17.03 H new ATOM 0 HB2 GLN A 90 23.682 28.769 25.552 1.00 13.58 H new ATOM 0 HB3 GLN A 90 24.488 27.481 25.901 1.00 13.58 H new ATOM 0 HG2 GLN A 90 25.562 29.663 24.425 1.00 18.92 H new ATOM 0 HG3 GLN A 90 25.907 29.372 25.918 1.00 18.92 H new ATOM 0 HE21 GLN A 90 27.792 29.559 23.930 1.00 24.22 H new ATOM 0 HE22 GLN A 90 28.504 28.261 23.765 1.00 24.22 H new ATOM 733 N PRO A 91 22.836 25.355 24.463 1.00 15.55 N ATOM 734 CA PRO A 91 21.699 24.505 24.674 1.00 15.79 C ATOM 735 C PRO A 91 20.905 24.851 25.938 1.00 15.15 C ATOM 736 O PRO A 91 21.473 25.308 26.930 1.00 16.49 O ATOM 737 CB PRO A 91 22.346 23.112 24.801 1.00 15.39 C ATOM 738 CG PRO A 91 23.754 23.347 25.140 1.00 22.91 C ATOM 739 CD PRO A 91 24.111 24.620 24.478 1.00 15.61 C ATOM 0 HA PRO A 91 21.047 24.586 23.960 1.00 15.79 H new ATOM 0 HB2 PRO A 91 21.907 22.587 25.488 1.00 15.39 H new ATOM 0 HB3 PRO A 91 22.267 22.616 23.971 1.00 15.39 H new ATOM 0 HG2 PRO A 91 23.877 23.406 26.100 1.00 22.91 H new ATOM 0 HG3 PRO A 91 24.315 22.621 24.826 1.00 22.91 H new ATOM 0 HD2 PRO A 91 24.796 25.100 24.969 1.00 15.61 H new ATOM 0 HD3 PRO A 91 24.453 24.475 23.582 1.00 15.61 H new ATOM 740 N LYS A 92 19.607 24.587 25.948 1.00 15.94 N ATOM 741 CA LYS A 92 18.921 24.483 27.183 1.00 16.55 C ATOM 742 C LYS A 92 19.438 23.268 27.936 1.00 14.51 C ATOM 743 O LYS A 92 19.858 22.302 27.343 1.00 16.04 O ATOM 744 CB LYS A 92 17.388 24.306 26.983 1.00 14.77 C ATOM 745 CG LYS A 92 16.729 25.429 26.214 1.00 18.89 C ATOM 746 CD LYS A 92 15.247 25.108 26.056 1.00 23.81 C ATOM 747 CE LYS A 92 14.618 25.872 24.943 1.00 37.52 C ATOM 748 NZ LYS A 92 15.066 25.288 23.646 1.00 42.07 N ATOM 0 H LYS A 92 19.123 24.468 25.247 1.00 15.94 H new ATOM 0 HA LYS A 92 19.078 25.303 27.676 1.00 16.55 H new ATOM 0 HB2 LYS A 92 17.227 23.471 26.517 1.00 14.77 H new ATOM 0 HB3 LYS A 92 16.965 24.232 27.853 1.00 14.77 H new ATOM 0 HG2 LYS A 92 16.843 26.270 26.683 1.00 18.89 H new ATOM 0 HG3 LYS A 92 17.146 25.531 25.344 1.00 18.89 H new ATOM 0 HD2 LYS A 92 15.140 24.158 25.894 1.00 23.81 H new ATOM 0 HD3 LYS A 92 14.785 25.309 26.885 1.00 23.81 H new ATOM 0 HE2 LYS A 92 13.651 25.833 25.013 1.00 37.52 H new ATOM 0 HE3 LYS A 92 14.868 26.808 24.994 1.00 37.52 H new ATOM 0 HZ1 LYS A 92 14.588 25.638 22.982 1.00 42.07 H new ATOM 0 HZ2 LYS A 92 15.928 25.471 23.520 1.00 42.07 H new ATOM 0 HZ3 LYS A 92 14.949 24.406 23.661 1.00 42.07 H new ATOM 749 N VAL A 93 19.334 23.324 29.254 1.00 16.39 N ATOM 750 CA VAL A 93 19.772 22.281 30.145 1.00 15.16 C ATOM 751 C VAL A 93 18.577 21.762 30.954 1.00 18.85 C ATOM 752 O VAL A 93 17.933 22.481 31.703 1.00 18.15 O ATOM 753 CB VAL A 93 20.931 22.769 31.056 1.00 16.80 C ATOM 754 CG1 VAL A 93 21.266 21.680 32.113 1.00 12.24 C ATOM 755 CG2 VAL A 93 22.128 23.164 30.183 1.00 17.36 C ATOM 0 H VAL A 93 18.993 23.999 29.664 1.00 16.39 H new ATOM 0 HA VAL A 93 20.127 21.544 29.624 1.00 15.16 H new ATOM 0 HB VAL A 93 20.670 23.560 31.553 1.00 16.80 H new ATOM 0 HG11 VAL A 93 21.990 21.990 32.679 1.00 12.24 H new ATOM 0 HG12 VAL A 93 20.483 21.506 32.658 1.00 12.24 H new ATOM 0 HG13 VAL A 93 21.535 20.864 31.663 1.00 12.24 H new ATOM 0 HG21 VAL A 93 22.854 23.470 30.749 1.00 17.36 H new ATOM 0 HG22 VAL A 93 22.421 22.396 29.668 1.00 17.36 H new ATOM 0 HG23 VAL A 93 21.867 23.877 29.579 1.00 17.36 H new ATOM 756 N PHE A 94 18.264 20.505 30.719 1.00 17.28 N ATOM 757 CA PHE A 94 17.169 19.841 31.364 1.00 19.81 C ATOM 758 C PHE A 94 17.763 18.881 32.407 1.00 19.15 C ATOM 759 O PHE A 94 18.593 18.005 32.052 1.00 15.46 O ATOM 760 CB PHE A 94 16.398 19.055 30.328 1.00 19.37 C ATOM 761 CG PHE A 94 15.149 18.432 30.858 1.00 23.84 C ATOM 762 CD1 PHE A 94 13.978 19.173 31.002 1.00 26.70 C ATOM 763 CD2 PHE A 94 15.159 17.071 31.226 1.00 34.68 C ATOM 764 CE1 PHE A 94 12.795 18.575 31.517 1.00 21.50 C ATOM 765 CE2 PHE A 94 14.021 16.457 31.725 1.00 19.26 C ATOM 766 CZ PHE A 94 12.812 17.216 31.875 1.00 22.42 C ATOM 0 H PHE A 94 18.695 20.007 30.166 1.00 17.28 H new ATOM 0 HA PHE A 94 16.572 20.476 31.790 1.00 19.81 H new ATOM 0 HB2 PHE A 94 16.170 19.643 29.591 1.00 19.37 H new ATOM 0 HB3 PHE A 94 16.970 18.359 29.969 1.00 19.37 H new ATOM 0 HD1 PHE A 94 13.970 20.070 30.758 1.00 26.70 H new ATOM 0 HD2 PHE A 94 15.942 16.577 31.132 1.00 34.68 H new ATOM 0 HE1 PHE A 94 12.019 19.078 31.616 1.00 21.50 H new ATOM 0 HE2 PHE A 94 14.041 15.558 31.961 1.00 19.26 H new ATOM 0 HZ PHE A 94 12.044 16.811 32.207 1.00 22.42 H new ATOM 767 N ILE A 95 17.363 19.065 33.668 1.00 16.49 N ATOM 768 CA ILE A 95 17.892 18.249 34.781 1.00 17.55 C ATOM 769 C ILE A 95 16.725 17.670 35.548 1.00 18.80 C ATOM 770 O ILE A 95 15.819 18.381 36.010 1.00 18.58 O ATOM 771 CB ILE A 95 18.880 18.990 35.715 1.00 15.96 C ATOM 772 CG1 ILE A 95 19.955 19.769 34.961 1.00 16.03 C ATOM 773 CG2 ILE A 95 19.501 17.974 36.734 1.00 12.56 C ATOM 774 CD1 ILE A 95 20.906 20.606 35.922 1.00 13.20 C ATOM 0 H ILE A 95 16.786 19.656 33.906 1.00 16.49 H new ATOM 0 HA ILE A 95 18.429 17.542 34.391 1.00 17.55 H new ATOM 0 HB ILE A 95 18.377 19.661 36.202 1.00 15.96 H new ATOM 0 HG12 ILE A 95 20.492 19.150 34.442 1.00 16.03 H new ATOM 0 HG13 ILE A 95 19.529 20.371 34.331 1.00 16.03 H new ATOM 0 HG21 ILE A 95 20.120 18.439 37.319 1.00 12.56 H new ATOM 0 HG22 ILE A 95 18.794 17.574 37.264 1.00 12.56 H new ATOM 0 HG23 ILE A 95 19.974 17.279 36.251 1.00 12.56 H new ATOM 0 HD11 ILE A 95 21.567 21.079 35.392 1.00 13.20 H new ATOM 0 HD12 ILE A 95 20.377 21.246 36.424 1.00 13.20 H new ATOM 0 HD13 ILE A 95 21.355 20.005 36.537 1.00 13.20 H new ATOM 775 N SER A 96 16.683 16.336 35.626 1.00 18.68 N ATOM 776 CA SER A 96 15.620 15.687 36.395 1.00 16.22 C ATOM 777 C SER A 96 16.221 14.910 37.576 1.00 17.67 C ATOM 778 O SER A 96 17.444 14.685 37.634 1.00 13.72 O ATOM 779 CB SER A 96 14.791 14.781 35.495 1.00 16.42 C ATOM 780 OG SER A 96 15.532 13.665 35.012 1.00 15.56 O ATOM 0 H SER A 96 17.244 15.803 35.252 1.00 18.68 H new ATOM 0 HA SER A 96 15.028 16.366 36.754 1.00 16.22 H new ATOM 0 HB2 SER A 96 14.017 14.463 35.986 1.00 16.42 H new ATOM 0 HB3 SER A 96 14.458 15.295 34.742 1.00 16.42 H new ATOM 0 HG SER A 96 15.847 13.844 34.254 1.00 15.56 H new ATOM 781 N GLU A 97 15.390 14.598 38.561 1.00 18.26 N ATOM 782 CA GLU A 97 15.812 13.756 39.678 1.00 18.65 C ATOM 783 C GLU A 97 14.691 12.798 40.036 1.00 16.89 C ATOM 784 O GLU A 97 13.560 13.199 40.106 1.00 15.44 O ATOM 785 CB GLU A 97 16.215 14.550 40.931 1.00 17.25 C ATOM 786 CG GLU A 97 15.142 15.304 41.603 1.00 20.19 C ATOM 787 CD GLU A 97 15.634 16.100 42.811 1.00 24.44 C ATOM 788 OE1 GLU A 97 16.865 16.223 43.105 1.00 18.31 O ATOM 789 OE2 GLU A 97 14.770 16.661 43.442 1.00 18.20 O ATOM 0 H GLU A 97 14.573 14.864 38.604 1.00 18.26 H new ATOM 0 HA GLU A 97 16.603 13.279 39.382 1.00 18.65 H new ATOM 0 HB2 GLU A 97 16.599 13.932 41.572 1.00 17.25 H new ATOM 0 HB3 GLU A 97 16.915 15.174 40.683 1.00 17.25 H new ATOM 0 HG2 GLU A 97 14.734 15.912 40.967 1.00 20.19 H new ATOM 0 HG3 GLU A 97 14.451 14.687 41.889 1.00 20.19 H new ATOM 790 N LEU A 98 15.061 11.553 40.285 1.00 17.67 N ATOM 791 CA LEU A 98 14.104 10.546 40.698 1.00 16.41 C ATOM 792 C LEU A 98 13.741 10.742 42.166 1.00 14.31 C ATOM 793 O LEU A 98 14.589 10.985 43.012 1.00 13.84 O ATOM 794 CB LEU A 98 14.715 9.143 40.486 1.00 15.04 C ATOM 795 CG LEU A 98 13.788 7.912 40.639 1.00 23.30 C ATOM 796 CD1 LEU A 98 12.842 7.775 39.464 1.00 13.86 C ATOM 797 CD2 LEU A 98 14.657 6.654 40.762 1.00 30.68 C ATOM 0 H LEU A 98 15.870 11.270 40.220 1.00 17.67 H new ATOM 0 HA LEU A 98 13.298 10.630 40.165 1.00 16.41 H new ATOM 0 HB2 LEU A 98 15.097 9.118 39.595 1.00 15.04 H new ATOM 0 HB3 LEU A 98 15.449 9.041 41.112 1.00 15.04 H new ATOM 0 HG LEU A 98 13.246 8.028 41.435 1.00 23.30 H new ATOM 0 HD11 LEU A 98 12.278 6.996 39.592 1.00 13.86 H new ATOM 0 HD12 LEU A 98 12.288 8.569 39.400 1.00 13.86 H new ATOM 0 HD13 LEU A 98 13.354 7.672 38.646 1.00 13.86 H new ATOM 0 HD21 LEU A 98 14.087 5.875 40.859 1.00 30.68 H new ATOM 0 HD22 LEU A 98 15.203 6.558 39.966 1.00 30.68 H new ATOM 0 HD23 LEU A 98 15.232 6.732 41.540 1.00 30.68 H new ATOM 798 N LEU A 99 12.458 10.602 42.483 1.00 15.27 N ATOM 799 CA LEU A 99 12.026 10.721 43.863 1.00 16.13 C ATOM 800 C LEU A 99 12.144 9.346 44.529 1.00 15.90 C ATOM 801 O LEU A 99 11.280 8.486 44.385 1.00 15.36 O ATOM 802 CB LEU A 99 10.592 11.252 43.880 1.00 15.30 C ATOM 803 CG LEU A 99 10.383 12.583 43.137 1.00 24.01 C ATOM 804 CD1 LEU A 99 8.905 12.915 43.138 1.00 27.75 C ATOM 805 CD2 LEU A 99 11.161 13.713 43.840 1.00 20.04 C ATOM 0 H LEU A 99 11.830 10.440 41.918 1.00 15.27 H new ATOM 0 HA LEU A 99 12.580 11.343 44.360 1.00 16.13 H new ATOM 0 HB2 LEU A 99 10.009 10.583 43.488 1.00 15.30 H new ATOM 0 HB3 LEU A 99 10.314 11.365 44.802 1.00 15.30 H new ATOM 0 HG LEU A 99 10.708 12.499 42.227 1.00 24.01 H new ATOM 0 HD11 LEU A 99 8.761 13.753 42.672 1.00 27.75 H new ATOM 0 HD12 LEU A 99 8.414 12.208 42.691 1.00 27.75 H new ATOM 0 HD13 LEU A 99 8.592 12.996 44.053 1.00 27.75 H new ATOM 0 HD21 LEU A 99 11.022 14.547 43.364 1.00 20.04 H new ATOM 0 HD22 LEU A 99 10.844 13.806 44.752 1.00 20.04 H new ATOM 0 HD23 LEU A 99 12.107 13.499 43.847 1.00 20.04 H new ATOM 806 N VAL A 100 13.242 9.143 45.250 1.00 15.90 N ATOM 807 CA VAL A 100 13.606 7.820 45.765 1.00 16.01 C ATOM 808 C VAL A 100 12.579 7.232 46.729 1.00 18.85 C ATOM 809 O VAL A 100 12.418 6.012 46.788 1.00 18.70 O ATOM 810 CB VAL A 100 14.987 7.860 46.400 1.00 14.75 C ATOM 811 CG1 VAL A 100 15.320 6.525 47.099 1.00 19.15 C ATOM 812 CG2 VAL A 100 16.011 8.198 45.280 1.00 9.57 C ATOM 0 H VAL A 100 13.798 9.766 45.456 1.00 15.90 H new ATOM 0 HA VAL A 100 13.620 7.224 45.000 1.00 16.01 H new ATOM 0 HB VAL A 100 15.021 8.540 47.091 1.00 14.75 H new ATOM 0 HG11 VAL A 100 16.204 6.578 47.494 1.00 19.15 H new ATOM 0 HG12 VAL A 100 14.666 6.351 47.794 1.00 19.15 H new ATOM 0 HG13 VAL A 100 15.300 5.805 46.449 1.00 19.15 H new ATOM 0 HG21 VAL A 100 16.904 8.230 45.657 1.00 9.57 H new ATOM 0 HG22 VAL A 100 15.975 7.515 44.592 1.00 9.57 H new ATOM 0 HG23 VAL A 100 15.793 9.060 44.891 1.00 9.57 H new ATOM 813 N GLU A 101 11.846 8.102 47.424 1.00 21.43 N ATOM 814 CA GLU A 101 10.840 7.669 48.376 1.00 19.97 C ATOM 815 C GLU A 101 9.655 6.978 47.718 1.00 22.28 C ATOM 816 O GLU A 101 8.848 6.401 48.409 1.00 21.89 O ATOM 817 CB GLU A 101 10.296 8.856 49.196 1.00 23.70 C ATOM 818 CG GLU A 101 11.355 9.557 50.035 1.00 27.50 C ATOM 819 CD GLU A 101 12.249 10.499 49.238 1.00 22.38 C ATOM 820 OE1 GLU A 101 11.933 10.812 48.021 1.00 15.74 O ATOM 821 OE2 GLU A 101 13.307 10.865 49.847 1.00 30.59 O ATOM 0 H GLU A 101 11.922 8.956 47.353 1.00 21.43 H new ATOM 0 HA GLU A 101 11.294 7.034 48.952 1.00 19.97 H new ATOM 0 HB2 GLU A 101 9.896 9.500 48.591 1.00 23.70 H new ATOM 0 HB3 GLU A 101 9.590 8.538 49.780 1.00 23.70 H new ATOM 0 HG2 GLU A 101 10.917 10.060 50.739 1.00 27.50 H new ATOM 0 HG3 GLU A 101 11.909 8.888 50.467 1.00 27.50 H new ATOM 822 N GLU A 102 9.518 7.063 46.406 1.00 20.80 N ATOM 823 CA GLU A 102 8.354 6.460 45.757 1.00 22.32 C ATOM 824 C GLU A 102 8.588 4.963 45.481 1.00 21.85 C ATOM 825 O GLU A 102 7.728 4.330 44.932 1.00 19.10 O ATOM 826 CB GLU A 102 8.012 7.188 44.452 1.00 20.34 C ATOM 827 CG GLU A 102 7.751 8.692 44.630 1.00 23.33 C ATOM 828 CD GLU A 102 6.403 8.981 45.262 1.00 32.23 C ATOM 829 OE1 GLU A 102 5.684 8.023 45.518 1.00 30.20 O ATOM 830 OE2 GLU A 102 6.060 10.160 45.482 1.00 38.28 O ATOM 0 H GLU A 102 10.071 7.455 45.878 1.00 20.80 H new ATOM 0 HA GLU A 102 7.603 6.548 46.365 1.00 22.32 H new ATOM 0 HB2 GLU A 102 8.741 7.067 43.824 1.00 20.34 H new ATOM 0 HB3 GLU A 102 7.227 6.777 44.058 1.00 20.34 H new ATOM 0 HG2 GLU A 102 8.451 9.075 45.181 1.00 23.33 H new ATOM 0 HG3 GLU A 102 7.799 9.129 43.766 1.00 23.33 H new ATOM 831 N PHE A 103 9.768 4.422 45.814 1.00 18.47 N ATOM 832 CA PHE A 103 10.128 3.064 45.420 1.00 15.12 C ATOM 833 C PHE A 103 10.143 2.164 46.620 1.00 15.71 C ATOM 834 O PHE A 103 10.081 2.649 47.740 1.00 18.16 O ATOM 835 CB PHE A 103 11.479 3.093 44.627 1.00 15.26 C ATOM 836 CG PHE A 103 11.329 3.809 43.362 1.00 20.96 C ATOM 837 CD1 PHE A 103 10.771 3.164 42.253 1.00 21.20 C ATOM 838 CD2 PHE A 103 11.538 5.184 43.307 1.00 20.07 C ATOM 839 CE1 PHE A 103 10.515 3.853 41.085 1.00 24.16 C ATOM 840 CE2 PHE A 103 11.271 5.888 42.130 1.00 15.87 C ATOM 841 CZ PHE A 103 10.769 5.226 41.019 1.00 19.56 C ATOM 0 H PHE A 103 10.372 4.831 46.269 1.00 18.47 H new ATOM 0 HA PHE A 103 9.462 2.692 44.820 1.00 15.12 H new ATOM 0 HB2 PHE A 103 12.164 3.520 45.165 1.00 15.26 H new ATOM 0 HB3 PHE A 103 11.777 2.186 44.456 1.00 15.26 H new ATOM 0 HD1 PHE A 103 10.570 2.257 42.304 1.00 21.20 H new ATOM 0 HD2 PHE A 103 11.856 5.635 44.055 1.00 20.07 H new ATOM 0 HE1 PHE A 103 10.175 3.405 40.344 1.00 24.16 H new ATOM 0 HE2 PHE A 103 11.430 6.803 42.091 1.00 15.87 H new ATOM 0 HZ PHE A 103 10.602 5.694 40.233 1.00 19.56 H new ATOM 842 N SER A 104 10.214 0.848 46.395 1.00 18.77 N ATOM 843 CA SER A 104 10.299 -0.139 47.487 1.00 19.51 C ATOM 844 C SER A 104 11.441 0.179 48.462 1.00 21.89 C ATOM 845 O SER A 104 12.472 0.727 48.052 1.00 23.19 O ATOM 846 CB SER A 104 10.480 -1.577 46.937 1.00 18.88 C ATOM 847 OG SER A 104 11.826 -1.846 46.472 1.00 22.02 O ATOM 0 H SER A 104 10.214 0.500 45.608 1.00 18.77 H new ATOM 0 HA SER A 104 9.459 -0.086 47.969 1.00 19.51 H new ATOM 0 HB2 SER A 104 10.251 -2.214 47.632 1.00 18.88 H new ATOM 0 HB3 SER A 104 9.858 -1.718 46.207 1.00 18.88 H new ATOM 0 HG SER A 104 11.809 -2.023 45.651 1.00 22.02 H new ATOM 848 N PRO A 105 11.258 -0.144 49.755 1.00 20.86 N ATOM 849 CA PRO A 105 12.350 0.004 50.740 1.00 21.10 C ATOM 850 C PRO A 105 13.693 -0.607 50.262 1.00 20.97 C ATOM 851 O PRO A 105 14.758 -0.060 50.506 1.00 22.96 O ATOM 852 CB PRO A 105 11.808 -0.741 51.966 1.00 22.67 C ATOM 853 CG PRO A 105 10.253 -0.564 51.845 1.00 19.51 C ATOM 854 CD PRO A 105 9.977 -0.571 50.384 1.00 22.85 C ATOM 0 HA PRO A 105 12.565 0.935 50.906 1.00 21.10 H new ATOM 0 HB2 PRO A 105 12.063 -1.677 51.957 1.00 22.67 H new ATOM 0 HB3 PRO A 105 12.147 -0.363 52.792 1.00 22.67 H new ATOM 0 HG2 PRO A 105 9.782 -1.283 52.295 1.00 19.51 H new ATOM 0 HG3 PRO A 105 9.961 0.266 52.254 1.00 19.51 H new ATOM 0 HD2 PRO A 105 9.712 -1.453 50.080 1.00 22.85 H new ATOM 0 HD3 PRO A 105 9.254 0.036 50.159 1.00 22.85 H new ATOM 855 N GLU A 106 13.613 -1.730 49.566 1.00 21.26 N ATOM 856 CA GLU A 106 14.776 -2.421 49.051 1.00 22.06 C ATOM 857 C GLU A 106 15.466 -1.620 47.949 1.00 22.14 C ATOM 858 O GLU A 106 16.695 -1.482 47.937 1.00 21.49 O ATOM 859 CB GLU A 106 14.366 -3.830 48.569 1.00 25.06 C ATOM 860 CG GLU A 106 13.850 -4.731 49.743 1.00 28.74 C ATOM 861 CD GLU A 106 12.329 -4.609 50.057 1.00 38.25 C ATOM 862 OE1 GLU A 106 11.640 -3.747 49.487 1.00 32.09 O ATOM 863 OE2 GLU A 106 11.826 -5.385 50.897 1.00 38.84 O ATOM 0 H GLU A 106 12.868 -2.117 49.378 1.00 21.26 H new ATOM 0 HA GLU A 106 15.426 -2.515 49.765 1.00 22.06 H new ATOM 0 HB2 GLU A 106 13.672 -3.750 47.896 1.00 25.06 H new ATOM 0 HB3 GLU A 106 15.126 -4.259 48.144 1.00 25.06 H new ATOM 0 HG2 GLU A 106 14.048 -5.657 49.532 1.00 28.74 H new ATOM 0 HG3 GLU A 106 14.349 -4.510 50.545 1.00 28.74 H new ATOM 864 N VAL A 107 14.701 -1.047 47.043 1.00 18.93 N ATOM 865 CA VAL A 107 15.330 -0.176 46.051 1.00 22.04 C ATOM 866 C VAL A 107 15.946 1.114 46.687 1.00 17.16 C ATOM 867 O VAL A 107 17.025 1.562 46.293 1.00 19.14 O ATOM 868 CB VAL A 107 14.319 0.157 44.943 1.00 17.50 C ATOM 869 CG1 VAL A 107 14.781 1.347 44.120 1.00 14.93 C ATOM 870 CG2 VAL A 107 14.138 -1.087 44.058 1.00 24.95 C ATOM 0 H VAL A 107 13.848 -1.138 46.977 1.00 18.93 H new ATOM 0 HA VAL A 107 16.077 -0.655 45.660 1.00 22.04 H new ATOM 0 HB VAL A 107 13.469 0.401 45.342 1.00 17.50 H new ATOM 0 HG11 VAL A 107 14.127 1.536 43.429 1.00 14.93 H new ATOM 0 HG12 VAL A 107 14.876 2.122 44.696 1.00 14.93 H new ATOM 0 HG13 VAL A 107 15.636 1.144 43.709 1.00 14.93 H new ATOM 0 HG21 VAL A 107 13.501 -0.893 43.352 1.00 24.95 H new ATOM 0 HG22 VAL A 107 14.991 -1.332 43.665 1.00 24.95 H new ATOM 0 HG23 VAL A 107 13.808 -1.823 44.597 1.00 24.95 H new ATOM 871 N GLN A 108 15.240 1.688 47.658 1.00 17.50 N ATOM 872 CA GLN A 108 15.693 2.890 48.336 1.00 18.85 C ATOM 873 C GLN A 108 17.032 2.604 48.993 1.00 19.88 C ATOM 874 O GLN A 108 17.968 3.362 48.838 1.00 21.49 O ATOM 875 CB GLN A 108 14.673 3.363 49.373 1.00 19.36 C ATOM 876 CG GLN A 108 13.285 3.737 48.827 1.00 19.55 C ATOM 877 CD GLN A 108 12.474 4.547 49.795 1.00 27.88 C ATOM 878 OE1 GLN A 108 13.025 5.365 50.511 1.00 31.56 O ATOM 879 NE2 GLN A 108 11.134 4.326 49.830 1.00 13.75 N ATOM 0 H GLN A 108 14.485 1.388 47.940 1.00 17.50 H new ATOM 0 HA GLN A 108 15.791 3.603 47.686 1.00 18.85 H new ATOM 0 HB2 GLN A 108 14.563 2.663 50.036 1.00 19.36 H new ATOM 0 HB3 GLN A 108 15.039 4.134 49.833 1.00 19.36 H new ATOM 0 HG2 GLN A 108 13.391 4.238 48.003 1.00 19.55 H new ATOM 0 HG3 GLN A 108 12.801 2.926 48.606 1.00 19.55 H new ATOM 0 HE21 GLN A 108 10.781 3.740 49.309 1.00 13.75 H new ATOM 0 HE22 GLN A 108 10.639 4.772 50.373 1.00 13.75 H new ATOM 880 N LYS A 109 17.140 1.467 49.684 1.00 20.84 N ATOM 881 CA LYS A 109 18.389 1.101 50.341 1.00 20.27 C ATOM 882 C LYS A 109 19.488 0.924 49.314 1.00 18.95 C ATOM 883 O LYS A 109 20.628 1.377 49.543 1.00 17.81 O ATOM 884 CB LYS A 109 18.214 -0.174 51.186 1.00 22.55 C ATOM 885 CG LYS A 109 19.523 -0.752 51.778 1.00 33.57 C ATOM 886 CD LYS A 109 19.257 -1.769 52.917 1.00 42.96 C ATOM 887 CE LYS A 109 20.566 -2.253 53.560 1.00 49.35 C ATOM 888 NZ LYS A 109 20.351 -2.951 54.888 1.00 55.62 N ATOM 0 H LYS A 109 16.503 0.898 49.782 1.00 20.84 H new ATOM 0 HA LYS A 109 18.642 1.820 50.941 1.00 20.27 H new ATOM 0 HB2 LYS A 109 17.603 0.018 51.914 1.00 22.55 H new ATOM 0 HB3 LYS A 109 17.795 -0.855 50.637 1.00 22.55 H new ATOM 0 HG2 LYS A 109 20.030 -1.185 51.073 1.00 33.57 H new ATOM 0 HG3 LYS A 109 20.070 -0.026 52.117 1.00 33.57 H new ATOM 0 HD2 LYS A 109 18.696 -1.359 53.593 1.00 42.96 H new ATOM 0 HD3 LYS A 109 18.768 -2.529 52.565 1.00 42.96 H new ATOM 0 HE2 LYS A 109 21.015 -2.860 52.950 1.00 49.35 H new ATOM 0 HE3 LYS A 109 21.156 -1.494 53.691 1.00 49.35 H new ATOM 0 HZ1 LYS A 109 21.136 -3.211 55.218 1.00 55.62 H new ATOM 0 HZ2 LYS A 109 19.961 -2.390 55.459 1.00 55.62 H new ATOM 0 HZ3 LYS A 109 19.830 -3.662 54.769 1.00 55.62 H new ATOM 889 N SER A 110 19.177 0.288 48.180 1.00 17.11 N ATOM 890 CA SER A 110 20.206 0.058 47.168 1.00 19.18 C ATOM 891 C SER A 110 20.717 1.368 46.573 1.00 19.38 C ATOM 892 O SER A 110 21.913 1.521 46.373 1.00 17.06 O ATOM 893 CB SER A 110 19.709 -0.855 46.046 1.00 19.92 C ATOM 894 OG SER A 110 19.667 -2.193 46.522 1.00 19.50 O ATOM 0 H SER A 110 18.395 -0.011 47.983 1.00 17.11 H new ATOM 0 HA SER A 110 20.940 -0.384 47.623 1.00 19.18 H new ATOM 0 HB2 SER A 110 18.827 -0.576 45.753 1.00 19.92 H new ATOM 0 HB3 SER A 110 20.297 -0.791 45.277 1.00 19.92 H new ATOM 0 HG SER A 110 20.415 -2.400 46.844 1.00 19.50 H new ATOM 895 N ILE A 111 19.804 2.290 46.290 1.00 17.29 N ATOM 896 CA ILE A 111 20.157 3.574 45.683 1.00 18.34 C ATOM 897 C ILE A 111 20.998 4.355 46.687 1.00 19.93 C ATOM 898 O ILE A 111 22.086 4.827 46.325 1.00 17.09 O ATOM 899 CB ILE A 111 18.942 4.371 45.234 1.00 17.52 C ATOM 900 CG1 ILE A 111 18.285 3.687 44.021 1.00 21.24 C ATOM 901 CG2 ILE A 111 19.290 5.839 44.888 1.00 13.72 C ATOM 902 CD1 ILE A 111 16.871 4.222 43.707 1.00 17.44 C ATOM 0 H ILE A 111 18.963 2.192 46.443 1.00 17.29 H new ATOM 0 HA ILE A 111 20.665 3.409 44.874 1.00 18.34 H new ATOM 0 HB ILE A 111 18.321 4.392 45.979 1.00 17.52 H new ATOM 0 HG12 ILE A 111 18.851 3.811 43.243 1.00 21.24 H new ATOM 0 HG13 ILE A 111 18.233 2.732 44.185 1.00 21.24 H new ATOM 0 HG21 ILE A 111 18.487 6.305 44.608 1.00 13.72 H new ATOM 0 HG22 ILE A 111 19.661 6.277 45.670 1.00 13.72 H new ATOM 0 HG23 ILE A 111 19.941 5.857 44.169 1.00 13.72 H new ATOM 0 HD11 ILE A 111 16.512 3.755 42.937 1.00 17.44 H new ATOM 0 HD12 ILE A 111 16.293 4.076 44.472 1.00 17.44 H new ATOM 0 HD13 ILE A 111 16.919 5.172 43.515 1.00 17.44 H new ATOM 903 N HIS A 112 20.559 4.415 47.952 1.00 16.66 N ATOM 904 CA HIS A 112 21.382 5.084 48.977 1.00 20.17 C ATOM 905 C HIS A 112 22.753 4.486 49.084 1.00 18.48 C ATOM 906 O HIS A 112 23.743 5.209 49.260 1.00 23.10 O ATOM 907 CB HIS A 112 20.719 5.110 50.338 1.00 19.65 C ATOM 908 CG HIS A 112 19.713 6.185 50.464 1.00 21.03 C ATOM 909 ND1 HIS A 112 20.061 7.492 50.733 1.00 22.17 N ATOM 910 CD2 HIS A 112 18.372 6.166 50.316 1.00 22.08 C ATOM 911 CE1 HIS A 112 18.962 8.225 50.783 1.00 18.35 C ATOM 912 NE2 HIS A 112 17.928 7.449 50.503 1.00 23.16 N ATOM 0 H HIS A 112 19.815 4.088 48.232 1.00 16.66 H new ATOM 0 HA HIS A 112 21.472 6.001 48.675 1.00 20.17 H new ATOM 0 HB2 HIS A 112 20.294 4.254 50.502 1.00 19.65 H new ATOM 0 HB3 HIS A 112 21.397 5.226 51.022 1.00 19.65 H new ATOM 0 HD2 HIS A 112 17.848 5.422 50.123 1.00 22.08 H new ATOM 0 HE1 HIS A 112 18.923 9.133 50.981 1.00 18.35 H new ATOM 0 HE2 HIS A 112 17.110 7.708 50.447 1.00 23.16 H new ATOM 913 N GLY A 113 22.843 3.174 48.918 1.00 20.76 N ATOM 914 CA GLY A 113 24.108 2.493 48.978 1.00 18.18 C ATOM 915 C GLY A 113 25.086 2.884 47.901 1.00 23.37 C ATOM 916 O GLY A 113 26.310 2.889 48.128 1.00 20.02 O ATOM 0 H GLY A 113 22.169 2.661 48.768 1.00 20.76 H new ATOM 0 HA2 GLY A 113 24.513 2.664 49.843 1.00 18.18 H new ATOM 0 HA3 GLY A 113 23.950 1.538 48.923 1.00 18.18 H new ATOM 917 N LEU A 114 24.568 3.198 46.709 1.00 22.11 N ATOM 918 CA LEU A 114 25.433 3.650 45.613 1.00 19.81 C ATOM 919 C LEU A 114 25.897 5.079 45.874 1.00 19.47 C ATOM 920 O LEU A 114 27.054 5.394 45.709 1.00 17.33 O ATOM 921 CB LEU A 114 24.674 3.573 44.280 1.00 21.19 C ATOM 922 CG LEU A 114 23.977 2.230 43.911 1.00 19.52 C ATOM 923 CD1 LEU A 114 23.355 2.320 42.536 1.00 21.32 C ATOM 924 CD2 LEU A 114 24.914 1.044 43.945 1.00 20.82 C ATOM 0 H LEU A 114 23.731 3.157 46.516 1.00 22.11 H new ATOM 0 HA LEU A 114 26.211 3.072 45.563 1.00 19.81 H new ATOM 0 HB2 LEU A 114 23.997 4.268 44.283 1.00 21.19 H new ATOM 0 HB3 LEU A 114 25.299 3.788 43.570 1.00 21.19 H new ATOM 0 HG LEU A 114 23.296 2.087 44.586 1.00 19.52 H new ATOM 0 HD11 LEU A 114 22.925 1.478 42.319 1.00 21.32 H new ATOM 0 HD12 LEU A 114 22.696 3.031 42.525 1.00 21.32 H new ATOM 0 HD13 LEU A 114 24.045 2.508 41.880 1.00 21.32 H new ATOM 0 HD21 LEU A 114 24.427 0.239 43.708 1.00 20.82 H new ATOM 0 HD22 LEU A 114 25.635 1.183 43.312 1.00 20.82 H new ATOM 0 HD23 LEU A 114 25.282 0.947 44.837 1.00 20.82 H new ATOM 925 N ILE A 115 24.976 5.940 46.275 1.00 18.53 N ATOM 926 CA ILE A 115 25.313 7.360 46.466 1.00 21.41 C ATOM 927 C ILE A 115 26.196 7.581 47.690 1.00 18.66 C ATOM 928 O ILE A 115 26.970 8.509 47.713 1.00 21.11 O ATOM 929 CB ILE A 115 24.065 8.227 46.513 1.00 19.71 C ATOM 930 CG1 ILE A 115 23.247 8.045 45.204 1.00 20.93 C ATOM 931 CG2 ILE A 115 24.431 9.718 46.742 1.00 14.78 C ATOM 932 CD1 ILE A 115 24.047 8.363 43.955 1.00 18.99 C ATOM 0 H ILE A 115 24.158 5.736 46.443 1.00 18.53 H new ATOM 0 HA ILE A 115 25.831 7.634 45.693 1.00 21.41 H new ATOM 0 HB ILE A 115 23.517 7.945 47.262 1.00 19.71 H new ATOM 0 HG12 ILE A 115 22.927 7.131 45.153 1.00 20.93 H new ATOM 0 HG13 ILE A 115 22.465 8.618 45.235 1.00 20.93 H new ATOM 0 HG21 ILE A 115 23.620 10.250 46.768 1.00 14.78 H new ATOM 0 HG22 ILE A 115 24.905 9.810 47.584 1.00 14.78 H new ATOM 0 HG23 ILE A 115 24.997 10.027 46.018 1.00 14.78 H new ATOM 0 HD11 ILE A 115 23.490 8.233 43.172 1.00 18.99 H new ATOM 0 HD12 ILE A 115 24.347 9.285 43.989 1.00 18.99 H new ATOM 0 HD13 ILE A 115 24.817 7.775 43.905 1.00 18.99 H new ATOM 933 N ASP A 116 26.122 6.685 48.684 1.00 17.70 N ATOM 934 CA ASP A 116 27.012 6.745 49.830 1.00 19.07 C ATOM 935 C ASP A 116 28.414 6.622 49.337 1.00 18.61 C ATOM 936 O ASP A 116 29.333 7.092 49.989 1.00 21.06 O ATOM 937 CB ASP A 116 26.765 5.613 50.832 1.00 20.41 C ATOM 938 CG ASP A 116 25.560 5.840 51.684 1.00 22.87 C ATOM 939 OD1 ASP A 116 24.983 6.939 51.637 1.00 32.38 O ATOM 940 OD2 ASP A 116 25.161 4.872 52.364 1.00 28.36 O ATOM 0 H ASP A 116 25.558 6.036 48.705 1.00 17.70 H new ATOM 0 HA ASP A 116 26.850 7.587 50.284 1.00 19.07 H new ATOM 0 HB2 ASP A 116 26.661 4.778 50.350 1.00 20.41 H new ATOM 0 HB3 ASP A 116 27.544 5.516 51.402 1.00 20.41 H new ATOM 941 N GLN A 117 28.627 5.999 48.194 1.00 17.18 N ATOM 942 CA GLN A 117 30.024 5.852 47.715 1.00 16.21 C ATOM 943 C GLN A 117 30.598 7.066 46.984 1.00 20.13 C ATOM 944 O GLN A 117 31.827 7.127 46.725 1.00 19.62 O ATOM 945 CB GLN A 117 30.153 4.615 46.838 1.00 19.28 C ATOM 946 CG GLN A 117 29.883 3.308 47.577 1.00 18.27 C ATOM 947 CD GLN A 117 29.709 2.127 46.624 1.00 24.60 C ATOM 948 OE1 GLN A 117 30.655 1.716 45.952 1.00 19.78 O ATOM 949 NE2 GLN A 117 28.494 1.561 46.576 1.00 24.19 N ATOM 0 H GLN A 117 28.019 5.662 47.688 1.00 17.18 H new ATOM 0 HA GLN A 117 30.555 5.764 48.522 1.00 16.21 H new ATOM 0 HB2 GLN A 117 29.535 4.690 46.094 1.00 19.28 H new ATOM 0 HB3 GLN A 117 31.047 4.586 46.463 1.00 19.28 H new ATOM 0 HG2 GLN A 117 30.617 3.125 48.184 1.00 18.27 H new ATOM 0 HG3 GLN A 117 29.084 3.404 48.118 1.00 18.27 H new ATOM 0 HE21 GLN A 117 27.855 1.873 47.059 1.00 24.19 H new ATOM 0 HE22 GLN A 117 28.354 0.886 46.062 1.00 24.19 H new ATOM 950 N VAL A 118 29.732 8.012 46.633 1.00 17.38 N ATOM 951 CA VAL A 118 30.149 9.266 46.002 1.00 17.18 C ATOM 952 C VAL A 118 30.871 10.166 47.029 1.00 17.63 C ATOM 953 O VAL A 118 30.305 10.545 48.052 1.00 17.31 O ATOM 954 CB VAL A 118 28.955 10.043 45.432 1.00 18.44 C ATOM 955 CG1 VAL A 118 29.426 11.406 44.840 1.00 16.28 C ATOM 956 CG2 VAL A 118 28.189 9.204 44.378 1.00 16.02 C ATOM 0 H VAL A 118 28.883 7.947 46.754 1.00 17.38 H new ATOM 0 HA VAL A 118 30.747 9.032 45.275 1.00 17.18 H new ATOM 0 HB VAL A 118 28.337 10.226 46.157 1.00 18.44 H new ATOM 0 HG11 VAL A 118 28.662 11.886 44.484 1.00 16.28 H new ATOM 0 HG12 VAL A 118 29.843 11.935 45.538 1.00 16.28 H new ATOM 0 HG13 VAL A 118 30.067 11.246 44.130 1.00 16.28 H new ATOM 0 HG21 VAL A 118 27.441 9.719 44.036 1.00 16.02 H new ATOM 0 HG22 VAL A 118 28.786 8.977 43.648 1.00 16.02 H new ATOM 0 HG23 VAL A 118 27.859 8.390 44.790 1.00 16.02 H new ATOM 957 N ASP A 119 32.134 10.468 46.758 1.00 17.34 N ATOM 958 CA ASP A 119 32.841 11.500 47.499 1.00 17.29 C ATOM 959 C ASP A 119 32.231 12.875 47.301 1.00 13.84 C ATOM 960 O ASP A 119 32.149 13.388 46.168 1.00 14.32 O ATOM 961 CB ASP A 119 34.307 11.527 47.050 1.00 17.53 C ATOM 962 CG ASP A 119 35.145 12.534 47.828 1.00 22.06 C ATOM 963 OD1 ASP A 119 34.626 13.211 48.743 1.00 18.08 O ATOM 964 OD2 ASP A 119 36.341 12.635 47.510 1.00 21.63 O ATOM 0 H ASP A 119 32.601 10.085 46.146 1.00 17.34 H new ATOM 0 HA ASP A 119 32.773 11.284 48.442 1.00 17.29 H new ATOM 0 HB2 ASP A 119 34.690 10.642 47.157 1.00 17.53 H new ATOM 0 HB3 ASP A 119 34.347 11.741 46.105 1.00 17.53 H new ATOM 965 N ILE A 120 31.803 13.494 48.397 1.00 16.42 N ATOM 966 CA ILE A 120 31.115 14.800 48.311 1.00 16.75 C ATOM 967 C ILE A 120 32.011 15.810 47.588 1.00 16.93 C ATOM 968 O ILE A 120 31.544 16.665 46.853 1.00 14.03 O ATOM 969 CB ILE A 120 30.670 15.344 49.688 1.00 18.83 C ATOM 970 CG1 ILE A 120 29.764 16.575 49.495 1.00 18.29 C ATOM 971 CG2 ILE A 120 31.932 15.647 50.632 1.00 13.64 C ATOM 972 CD1 ILE A 120 29.009 17.002 50.711 1.00 23.60 C ATOM 0 H ILE A 120 31.895 13.187 49.195 1.00 16.42 H new ATOM 0 HA ILE A 120 30.301 14.663 47.802 1.00 16.75 H new ATOM 0 HB ILE A 120 30.150 14.664 50.145 1.00 18.83 H new ATOM 0 HG12 ILE A 120 30.310 17.317 49.193 1.00 18.29 H new ATOM 0 HG13 ILE A 120 29.129 16.384 48.787 1.00 18.29 H new ATOM 0 HG21 ILE A 120 31.623 15.986 51.487 1.00 13.64 H new ATOM 0 HG22 ILE A 120 32.435 14.830 50.772 1.00 13.64 H new ATOM 0 HG23 ILE A 120 32.501 16.309 50.209 1.00 13.64 H new ATOM 0 HD11 ILE A 120 28.468 17.779 50.500 1.00 23.60 H new ATOM 0 HD12 ILE A 120 28.434 16.278 51.006 1.00 23.60 H new ATOM 0 HD13 ILE A 120 29.634 17.226 51.418 1.00 23.60 H new ATOM 973 N ALA A 121 33.324 15.679 47.769 1.00 13.59 N ATOM 974 CA ALA A 121 34.237 16.589 47.116 1.00 18.14 C ATOM 975 C ALA A 121 34.208 16.506 45.587 1.00 17.24 C ATOM 976 O ALA A 121 34.508 17.480 44.923 1.00 18.78 O ATOM 977 CB ALA A 121 35.623 16.380 47.643 1.00 10.84 C ATOM 0 H ALA A 121 33.694 15.077 48.259 1.00 13.59 H new ATOM 0 HA ALA A 121 33.937 17.487 47.328 1.00 18.14 H new ATOM 0 HB1 ALA A 121 36.233 16.992 47.202 1.00 10.84 H new ATOM 0 HB2 ALA A 121 35.634 16.545 48.599 1.00 10.84 H new ATOM 0 HB3 ALA A 121 35.901 15.467 47.470 1.00 10.84 H new ATOM 978 N ALA A 122 33.835 15.353 45.046 1.00 14.27 N ATOM 979 CA ALA A 122 33.776 15.150 43.620 1.00 15.35 C ATOM 980 C ALA A 122 32.674 16.009 43.004 1.00 18.13 C ATOM 981 O ALA A 122 32.754 16.361 41.821 1.00 16.52 O ATOM 982 CB ALA A 122 33.516 13.610 43.280 1.00 13.60 C ATOM 0 H ALA A 122 33.608 14.664 45.507 1.00 14.27 H new ATOM 0 HA ALA A 122 34.630 15.413 43.242 1.00 15.35 H new ATOM 0 HB1 ALA A 122 33.479 13.493 42.318 1.00 13.60 H new ATOM 0 HB2 ALA A 122 34.236 13.072 43.644 1.00 13.60 H new ATOM 0 HB3 ALA A 122 32.674 13.330 43.672 1.00 13.60 H new ATOM 983 N THR A 123 31.670 16.367 43.816 1.00 14.02 N ATOM 984 CA THR A 123 30.469 16.996 43.288 1.00 19.36 C ATOM 985 C THR A 123 30.699 18.456 42.923 1.00 20.87 C ATOM 986 O THR A 123 29.867 19.048 42.222 1.00 20.48 O ATOM 987 CB THR A 123 29.274 16.911 44.243 1.00 18.76 C ATOM 988 OG1 THR A 123 29.568 17.642 45.427 1.00 16.90 O ATOM 989 CG2 THR A 123 28.929 15.457 44.603 1.00 21.04 C ATOM 0 H THR A 123 31.671 16.252 44.668 1.00 14.02 H new ATOM 0 HA THR A 123 30.258 16.491 42.487 1.00 19.36 H new ATOM 0 HB THR A 123 28.503 17.292 43.794 1.00 18.76 H new ATOM 0 HG1 THR A 123 30.129 17.218 45.887 1.00 16.90 H new ATOM 0 HG21 THR A 123 28.170 15.444 45.207 1.00 21.04 H new ATOM 0 HG22 THR A 123 28.707 14.967 43.796 1.00 21.04 H new ATOM 0 HG23 THR A 123 29.692 15.040 45.034 1.00 21.04 H new ATOM 990 N THR A 124 31.822 19.024 43.378 1.00 18.73 N ATOM 991 CA THR A 124 32.178 20.389 43.011 1.00 20.78 C ATOM 992 C THR A 124 33.368 20.480 42.028 1.00 21.69 C ATOM 993 O THR A 124 33.803 21.584 41.673 1.00 23.64 O ATOM 994 CB THR A 124 32.450 21.264 44.256 1.00 21.59 C ATOM 995 OG1 THR A 124 32.614 22.619 43.817 1.00 27.52 O ATOM 996 CG2 THR A 124 33.722 20.757 45.123 1.00 15.01 C ATOM 0 H THR A 124 32.385 18.634 43.898 1.00 18.73 H new ATOM 0 HA THR A 124 31.401 20.734 42.544 1.00 20.78 H new ATOM 0 HB THR A 124 31.693 21.195 44.859 1.00 21.59 H new ATOM 0 HG1 THR A 124 32.920 22.625 43.035 1.00 27.52 H new ATOM 0 HG21 THR A 124 33.845 21.340 45.888 1.00 15.01 H new ATOM 0 HG22 THR A 124 33.564 19.850 45.430 1.00 15.01 H new ATOM 0 HG23 THR A 124 34.519 20.777 44.570 1.00 15.01 H new ATOM 997 N ALA A 125 33.861 19.337 41.549 1.00 19.86 N ATOM 998 CA ALA A 125 34.970 19.321 40.588 1.00 21.32 C ATOM 999 C ALA A 125 34.378 19.568 39.214 1.00 21.53 C ATOM 1000 O ALA A 125 33.191 19.287 38.979 1.00 19.24 O ATOM 1001 CB ALA A 125 35.712 17.960 40.600 1.00 21.58 C ATOM 0 H ALA A 125 33.568 18.558 41.767 1.00 19.86 H new ATOM 0 HA ALA A 125 35.617 20.004 40.824 1.00 21.32 H new ATOM 0 HB1 ALA A 125 36.437 17.981 39.956 1.00 21.58 H new ATOM 0 HB2 ALA A 125 36.071 17.795 41.486 1.00 21.58 H new ATOM 0 HB3 ALA A 125 35.093 17.251 40.365 1.00 21.58 H new ATOM 1002 N ASP A 126 35.219 20.042 38.300 1.00 22.68 N ATOM 1003 CA ASP A 126 34.731 20.428 36.979 1.00 24.81 C ATOM 1004 C ASP A 126 34.173 19.299 36.162 1.00 20.82 C ATOM 1005 O ASP A 126 33.418 19.560 35.234 1.00 19.28 O ATOM 1006 CB ASP A 126 35.790 21.184 36.141 1.00 24.74 C ATOM 1007 CG ASP A 126 37.067 20.365 35.852 1.00 36.33 C ATOM 1008 OD1 ASP A 126 37.298 19.263 36.400 1.00 45.49 O ATOM 1009 OD2 ASP A 126 37.864 20.861 35.050 1.00 38.82 O ATOM 0 H ASP A 126 36.064 20.147 38.421 1.00 22.68 H new ATOM 0 HA ASP A 126 33.997 21.027 37.185 1.00 24.81 H new ATOM 0 HB2 ASP A 126 35.391 21.451 35.298 1.00 24.74 H new ATOM 0 HB3 ASP A 126 36.038 21.997 36.608 1.00 24.74 H new ATOM 1010 N ASN A 127 34.593 18.065 36.440 1.00 19.74 N ATOM 1011 CA ASN A 127 34.189 16.941 35.633 1.00 19.21 C ATOM 1012 C ASN A 127 32.994 16.233 36.191 1.00 19.36 C ATOM 1013 O ASN A 127 32.635 15.167 35.664 1.00 19.70 O ATOM 1014 CB ASN A 127 35.340 15.934 35.434 1.00 20.64 C ATOM 1015 CG ASN A 127 35.708 15.205 36.710 1.00 22.95 C ATOM 1016 OD1 ASN A 127 35.614 15.760 37.795 1.00 20.97 O ATOM 1017 ND2 ASN A 127 36.073 13.945 36.587 1.00 26.01 N ATOM 0 H ASN A 127 35.114 17.867 37.095 1.00 19.74 H new ATOM 0 HA ASN A 127 33.944 17.312 34.771 1.00 19.21 H new ATOM 0 HB2 ASN A 127 35.085 15.286 34.758 1.00 20.64 H new ATOM 0 HB3 ASN A 127 36.120 16.403 35.097 1.00 20.64 H new ATOM 0 HD21 ASN A 127 36.256 13.480 37.287 1.00 26.01 H new ATOM 0 HD22 ASN A 127 36.128 13.588 35.807 1.00 26.01 H new ATOM 1018 N PHE A 128 32.357 16.783 37.236 1.00 18.58 N ATOM 1019 CA PHE A 128 31.328 15.990 37.906 1.00 16.00 C ATOM 1020 C PHE A 128 30.187 15.525 36.987 1.00 17.78 C ATOM 1021 O PHE A 128 29.751 14.370 37.074 1.00 16.17 O ATOM 1022 CB PHE A 128 30.740 16.685 39.140 1.00 17.36 C ATOM 1023 CG PHE A 128 29.621 15.851 39.812 1.00 13.75 C ATOM 1024 CD1 PHE A 128 29.928 14.615 40.382 1.00 17.40 C ATOM 1025 CD2 PHE A 128 28.302 16.253 39.781 1.00 23.81 C ATOM 1026 CE1 PHE A 128 28.999 13.841 40.939 1.00 18.17 C ATOM 1027 CE2 PHE A 128 27.340 15.483 40.355 1.00 16.24 C ATOM 1028 CZ PHE A 128 27.658 14.261 40.920 1.00 16.23 C ATOM 0 H PHE A 128 32.498 17.569 37.555 1.00 18.58 H new ATOM 0 HA PHE A 128 31.810 15.198 38.193 1.00 16.00 H new ATOM 0 HB2 PHE A 128 31.447 16.849 39.783 1.00 17.36 H new ATOM 0 HB3 PHE A 128 30.384 17.550 38.882 1.00 17.36 H new ATOM 0 HD1 PHE A 128 30.811 14.322 40.373 1.00 17.40 H new ATOM 0 HD2 PHE A 128 28.070 17.053 39.366 1.00 23.81 H new ATOM 0 HE1 PHE A 128 29.234 13.033 41.335 1.00 18.17 H new ATOM 0 HE2 PHE A 128 26.459 15.781 40.368 1.00 16.24 H new ATOM 0 HZ PHE A 128 26.992 13.723 41.283 1.00 16.23 H new ATOM 1029 N ILE A 129 29.678 16.384 36.111 1.00 16.36 N ATOM 1030 CA ILE A 129 28.512 15.975 35.319 1.00 17.61 C ATOM 1031 C ILE A 129 28.876 14.953 34.203 1.00 15.85 C ATOM 1032 O ILE A 129 28.010 14.396 33.574 1.00 16.93 O ATOM 1033 CB ILE A 129 27.728 17.187 34.755 1.00 19.89 C ATOM 1034 CG1 ILE A 129 28.532 17.906 33.694 1.00 19.80 C ATOM 1035 CG2 ILE A 129 27.214 18.176 35.912 1.00 18.35 C ATOM 1036 CD1 ILE A 129 27.686 18.950 32.915 1.00 31.41 C ATOM 0 H ILE A 129 29.974 17.177 35.960 1.00 16.36 H new ATOM 0 HA ILE A 129 27.919 15.516 35.934 1.00 17.61 H new ATOM 0 HB ILE A 129 26.928 16.843 34.328 1.00 19.89 H new ATOM 0 HG12 ILE A 129 29.287 18.351 34.110 1.00 19.80 H new ATOM 0 HG13 ILE A 129 28.894 17.257 33.071 1.00 19.80 H new ATOM 0 HG21 ILE A 129 26.731 18.917 35.514 1.00 18.35 H new ATOM 0 HG22 ILE A 129 26.626 17.693 36.513 1.00 18.35 H new ATOM 0 HG23 ILE A 129 27.975 18.516 36.408 1.00 18.35 H new ATOM 0 HD11 ILE A 129 28.241 19.384 32.248 1.00 31.41 H new ATOM 0 HD12 ILE A 129 26.944 18.504 32.477 1.00 31.41 H new ATOM 0 HD13 ILE A 129 27.344 19.615 33.533 1.00 31.41 H new ATOM 1037 N TYR A 130 30.172 14.736 33.965 1.00 14.63 N ATOM 1038 CA TYR A 130 30.630 13.655 33.078 1.00 18.77 C ATOM 1039 C TYR A 130 31.647 12.724 33.755 1.00 19.31 C ATOM 1040 O TYR A 130 32.521 12.156 33.087 1.00 19.82 O ATOM 1041 CB TYR A 130 31.166 14.202 31.743 1.00 18.28 C ATOM 1042 CG TYR A 130 32.258 15.268 31.871 1.00 18.49 C ATOM 1043 CD1 TYR A 130 31.914 16.622 32.042 1.00 15.30 C ATOM 1044 CD2 TYR A 130 33.626 14.913 31.863 1.00 20.99 C ATOM 1045 CE1 TYR A 130 32.867 17.584 32.193 1.00 21.40 C ATOM 1046 CE2 TYR A 130 34.625 15.905 32.017 1.00 17.93 C ATOM 1047 CZ TYR A 130 34.208 17.248 32.162 1.00 16.42 C ATOM 1048 OH TYR A 130 35.116 18.245 32.312 1.00 19.44 O ATOM 0 H TYR A 130 30.806 15.205 34.308 1.00 14.63 H new ATOM 0 HA TYR A 130 29.849 13.114 32.881 1.00 18.77 H new ATOM 0 HB2 TYR A 130 31.515 13.462 31.223 1.00 18.28 H new ATOM 0 HB3 TYR A 130 30.425 14.576 31.242 1.00 18.28 H new ATOM 0 HD1 TYR A 130 31.016 16.865 32.052 1.00 15.30 H new ATOM 0 HD2 TYR A 130 33.872 14.022 31.756 1.00 20.99 H new ATOM 0 HE1 TYR A 130 32.615 18.470 32.317 1.00 21.40 H new ATOM 0 HE2 TYR A 130 35.527 15.680 32.023 1.00 17.93 H new ATOM 0 HH TYR A 130 34.720 18.986 32.324 1.00 19.44 H new ATOM 1049 N SER A 131 31.510 12.565 35.076 1.00 20.16 N ATOM 1050 CA SER A 131 32.493 11.814 35.910 1.00 18.11 C ATOM 1051 C SER A 131 32.181 10.293 35.887 1.00 18.87 C ATOM 1052 O SER A 131 32.972 9.472 36.321 1.00 20.00 O ATOM 1053 CB SER A 131 32.457 12.322 37.392 1.00 13.99 C ATOM 1054 OG SER A 131 31.116 12.226 37.961 1.00 18.10 O ATOM 0 H SER A 131 30.849 12.885 35.523 1.00 20.16 H new ATOM 0 HA SER A 131 33.376 11.966 35.538 1.00 18.11 H new ATOM 0 HB2 SER A 131 33.075 11.801 37.928 1.00 13.99 H new ATOM 0 HB3 SER A 131 32.759 13.243 37.426 1.00 13.99 H new ATOM 0 HG SER A 131 30.656 12.881 37.707 1.00 18.10 H new ATOM 1055 N GLY A 132 30.988 9.914 35.458 1.00 17.94 N ATOM 1056 CA GLY A 132 30.615 8.476 35.397 1.00 17.72 C ATOM 1057 C GLY A 132 30.199 7.875 36.727 1.00 20.91 C ATOM 1058 O GLY A 132 29.560 8.535 37.591 1.00 19.33 O ATOM 0 H GLY A 132 30.373 10.456 35.196 1.00 17.94 H new ATOM 0 HA2 GLY A 132 29.887 8.369 34.765 1.00 17.72 H new ATOM 0 HA3 GLY A 132 31.368 7.973 35.049 1.00 17.72 H new ATOM 1059 N ARG A 133 30.529 6.599 36.867 1.00 18.74 N ATOM 1060 CA ARG A 133 30.143 5.840 38.021 1.00 22.45 C ATOM 1061 C ARG A 133 31.101 6.058 39.153 1.00 20.55 C ATOM 1062 O ARG A 133 32.284 5.920 38.967 1.00 26.34 O ATOM 1063 CB ARG A 133 30.134 4.332 37.702 1.00 27.20 C ATOM 1064 CG ARG A 133 28.739 3.778 37.613 1.00 25.44 C ATOM 1065 CD ARG A 133 28.708 2.280 37.754 1.00 23.35 C ATOM 1066 NE ARG A 133 29.657 1.596 36.869 1.00 24.53 N ATOM 1067 CZ ARG A 133 30.558 0.708 37.269 1.00 35.65 C ATOM 1068 NH1 ARG A 133 30.665 0.368 38.558 1.00 32.12 N ATOM 1069 NH2 ARG A 133 31.370 0.158 36.368 1.00 30.60 N ATOM 0 H ARG A 133 30.985 6.156 36.288 1.00 18.74 H new ATOM 0 HA ARG A 133 29.255 6.139 38.273 1.00 22.45 H new ATOM 0 HB2 ARG A 133 30.595 4.178 36.863 1.00 27.20 H new ATOM 0 HB3 ARG A 133 30.626 3.855 38.388 1.00 27.20 H new ATOM 0 HG2 ARG A 133 28.190 4.177 38.306 1.00 25.44 H new ATOM 0 HG3 ARG A 133 28.348 4.029 36.762 1.00 25.44 H new ATOM 0 HD2 ARG A 133 28.905 2.044 38.674 1.00 23.35 H new ATOM 0 HD3 ARG A 133 27.811 1.962 37.565 1.00 23.35 H new ATOM 0 HE ARG A 133 29.627 1.784 36.030 1.00 24.53 H new ATOM 0 HH11 ARG A 133 30.145 0.726 39.142 1.00 32.12 H new ATOM 0 HH12 ARG A 133 31.254 -0.209 38.803 1.00 32.12 H new ATOM 0 HH21 ARG A 133 31.306 0.380 35.540 1.00 30.60 H new ATOM 0 HH22 ARG A 133 31.958 -0.419 36.615 1.00 30.60 H new ATOM 1070 N HIS A 134 30.578 6.283 40.340 1.00 20.80 N ATOM 1071 CA HIS A 134 31.413 6.449 41.528 1.00 20.98 C ATOM 1072 C HIS A 134 31.300 5.248 42.498 1.00 23.20 C ATOM 1073 O HIS A 134 31.889 5.272 43.587 1.00 25.50 O ATOM 1074 CB HIS A 134 31.006 7.713 42.268 1.00 20.21 C ATOM 1075 CG HIS A 134 31.272 8.986 41.516 1.00 22.98 C ATOM 1076 ND1 HIS A 134 32.239 9.896 41.902 1.00 25.19 N ATOM 1077 CD2 HIS A 134 30.660 9.524 40.431 1.00 22.53 C ATOM 1078 CE1 HIS A 134 32.221 10.931 41.073 1.00 24.76 C ATOM 1079 NE2 HIS A 134 31.276 10.727 40.168 1.00 25.29 N ATOM 0 H HIS A 134 29.733 6.345 40.488 1.00 20.80 H new ATOM 0 HA HIS A 134 32.333 6.507 41.225 1.00 20.98 H new ATOM 0 HB2 HIS A 134 30.059 7.664 42.474 1.00 20.21 H new ATOM 0 HB3 HIS A 134 31.479 7.745 43.114 1.00 20.21 H new ATOM 0 HD2 HIS A 134 29.955 9.150 39.954 1.00 22.53 H new ATOM 0 HE1 HIS A 134 32.778 11.674 41.119 1.00 24.76 H new ATOM 0 HE2 HIS A 134 31.079 11.259 39.522 1.00 25.29 H new ATOM 1080 N TRP A 135 30.538 4.222 42.104 1.00 19.41 N ATOM 1081 CA TRP A 135 30.144 3.132 42.992 1.00 15.36 C ATOM 1082 C TRP A 135 30.367 1.792 42.306 1.00 17.54 C ATOM 1083 O TRP A 135 30.322 1.705 41.093 1.00 19.69 O ATOM 1084 CB TRP A 135 28.655 3.266 43.404 1.00 17.27 C ATOM 1085 CG TRP A 135 27.804 3.584 42.250 1.00 18.24 C ATOM 1086 CD1 TRP A 135 27.288 2.692 41.347 1.00 19.12 C ATOM 1087 CD2 TRP A 135 27.388 4.882 41.823 1.00 18.63 C ATOM 1088 NE1 TRP A 135 26.585 3.355 40.377 1.00 16.59 N ATOM 1089 CE2 TRP A 135 26.627 4.702 40.637 1.00 16.91 C ATOM 1090 CE3 TRP A 135 27.588 6.185 42.315 1.00 14.88 C ATOM 1091 CZ2 TRP A 135 26.054 5.765 39.952 1.00 17.66 C ATOM 1092 CZ3 TRP A 135 27.041 7.239 41.631 1.00 12.67 C ATOM 1093 CH2 TRP A 135 26.260 7.022 40.456 1.00 18.15 C ATOM 0 H TRP A 135 30.234 4.142 41.304 1.00 19.41 H new ATOM 0 HA TRP A 135 30.692 3.180 43.791 1.00 15.36 H new ATOM 0 HB2 TRP A 135 28.355 2.438 43.811 1.00 17.27 H new ATOM 0 HB3 TRP A 135 28.565 3.961 44.075 1.00 17.27 H new ATOM 0 HD1 TRP A 135 27.399 1.770 41.387 1.00 19.12 H new ATOM 0 HE1 TRP A 135 26.182 2.987 39.712 1.00 16.59 H new ATOM 0 HE3 TRP A 135 28.082 6.328 43.090 1.00 14.88 H new ATOM 0 HZ2 TRP A 135 25.551 5.629 39.182 1.00 17.66 H new ATOM 0 HZ3 TRP A 135 27.180 8.106 41.936 1.00 12.67 H new ATOM 0 HH2 TRP A 135 25.882 7.752 40.022 1.00 18.15 H new ATOM 1094 N ASP A 136 30.700 0.790 43.108 1.00 22.38 N ATOM 1095 CA ASP A 136 30.565 -0.625 42.732 1.00 20.78 C ATOM 1096 C ASP A 136 29.089 -0.995 42.724 1.00 19.60 C ATOM 1097 O ASP A 136 28.322 -0.579 43.595 1.00 19.55 O ATOM 1098 CB ASP A 136 31.248 -1.519 43.743 1.00 21.11 C ATOM 1099 CG ASP A 136 32.734 -1.350 43.718 1.00 25.06 C ATOM 1100 OD1 ASP A 136 33.262 -1.178 42.604 1.00 28.21 O ATOM 1101 OD2 ASP A 136 33.351 -1.340 44.794 1.00 38.87 O ATOM 0 H ASP A 136 31.016 0.907 43.899 1.00 22.38 H new ATOM 0 HA ASP A 136 30.970 -0.747 41.859 1.00 20.78 H new ATOM 0 HB2 ASP A 136 30.914 -1.317 44.631 1.00 21.11 H new ATOM 0 HB3 ASP A 136 31.024 -2.445 43.560 1.00 21.11 H new ATOM 1102 N VAL A 137 28.697 -1.782 41.742 1.00 19.44 N ATOM 1103 CA VAL A 137 27.325 -2.259 41.690 1.00 18.82 C ATOM 1104 C VAL A 137 27.318 -3.646 41.054 1.00 20.04 C ATOM 1105 O VAL A 137 28.092 -3.917 40.116 1.00 18.04 O ATOM 1106 CB VAL A 137 26.426 -1.240 40.959 1.00 21.42 C ATOM 1107 CG1 VAL A 137 26.993 -0.843 39.606 1.00 16.64 C ATOM 1108 CG2 VAL A 137 24.981 -1.751 40.858 1.00 23.21 C ATOM 0 H VAL A 137 29.201 -2.052 41.100 1.00 19.44 H new ATOM 0 HA VAL A 137 26.953 -2.342 42.582 1.00 18.82 H new ATOM 0 HB VAL A 137 26.409 -0.430 41.493 1.00 21.42 H new ATOM 0 HG11 VAL A 137 26.400 -0.204 39.181 1.00 16.64 H new ATOM 0 HG12 VAL A 137 27.868 -0.441 39.727 1.00 16.64 H new ATOM 0 HG13 VAL A 137 27.074 -1.630 39.045 1.00 16.64 H new ATOM 0 HG21 VAL A 137 24.437 -1.094 40.396 1.00 23.21 H new ATOM 0 HG22 VAL A 137 24.967 -2.587 40.366 1.00 23.21 H new ATOM 0 HG23 VAL A 137 24.626 -1.895 41.749 1.00 23.21 H new ATOM 1109 N ASP A 138 26.464 -4.518 41.579 1.00 17.92 N ATOM 1110 CA ASP A 138 26.357 -5.898 41.054 1.00 18.70 C ATOM 1111 C ASP A 138 25.092 -6.081 40.199 1.00 16.59 C ATOM 1112 O ASP A 138 24.212 -5.210 40.159 1.00 17.18 O ATOM 1113 CB ASP A 138 26.438 -6.972 42.165 1.00 19.04 C ATOM 1114 CG ASP A 138 25.283 -6.920 43.168 1.00 21.08 C ATOM 1115 OD1 ASP A 138 24.266 -6.223 42.972 1.00 24.14 O ATOM 1116 OD2 ASP A 138 25.442 -7.582 44.206 1.00 26.86 O ATOM 0 H ASP A 138 25.937 -4.342 42.235 1.00 17.92 H new ATOM 0 HA ASP A 138 27.129 -6.030 40.482 1.00 18.70 H new ATOM 0 HB2 ASP A 138 26.456 -7.850 41.753 1.00 19.04 H new ATOM 0 HB3 ASP A 138 27.275 -6.866 42.644 1.00 19.04 H new ATOM 1117 N LYS A 139 25.005 -7.227 39.538 1.00 17.56 N ATOM 1118 CA LYS A 139 23.941 -7.463 38.565 1.00 18.14 C ATOM 1119 C LYS A 139 22.589 -7.521 39.236 1.00 18.12 C ATOM 1120 O LYS A 139 21.621 -6.998 38.689 1.00 18.70 O ATOM 1121 CB LYS A 139 24.206 -8.751 37.763 1.00 19.51 C ATOM 1122 CG LYS A 139 25.462 -8.657 36.876 1.00 21.19 C ATOM 1123 CD LYS A 139 25.621 -9.855 35.935 1.00 17.05 C ATOM 1124 CE LYS A 139 26.121 -11.059 36.621 1.00 13.92 C ATOM 1125 NZ LYS A 139 26.110 -12.238 35.671 1.00 13.38 N ATOM 0 H LYS A 139 25.552 -7.884 39.637 1.00 17.56 H new ATOM 0 HA LYS A 139 23.936 -6.715 37.947 1.00 18.14 H new ATOM 0 HB2 LYS A 139 24.305 -9.495 38.378 1.00 19.51 H new ATOM 0 HB3 LYS A 139 23.436 -8.944 37.206 1.00 19.51 H new ATOM 0 HG2 LYS A 139 25.421 -7.843 36.351 1.00 21.19 H new ATOM 0 HG3 LYS A 139 26.247 -8.590 37.442 1.00 21.19 H new ATOM 0 HD2 LYS A 139 24.765 -10.054 35.524 1.00 17.05 H new ATOM 0 HD3 LYS A 139 26.231 -9.619 35.219 1.00 17.05 H new ATOM 0 HE2 LYS A 139 27.022 -10.905 36.946 1.00 13.92 H new ATOM 0 HE3 LYS A 139 25.569 -11.252 37.395 1.00 13.92 H new ATOM 0 HZ1 LYS A 139 26.413 -12.961 36.092 1.00 13.38 H new ATOM 0 HZ2 LYS A 139 25.278 -12.385 35.390 1.00 13.38 H new ATOM 0 HZ3 LYS A 139 26.632 -12.061 34.972 1.00 13.38 H new ATOM 1126 N ALA A 140 22.517 -8.133 40.424 1.00 18.09 N ATOM 1127 CA ALA A 140 21.238 -8.297 41.128 1.00 18.82 C ATOM 1128 C ALA A 140 20.693 -6.946 41.542 1.00 16.48 C ATOM 1129 O ALA A 140 19.457 -6.730 41.523 1.00 20.15 O ATOM 1130 CB ALA A 140 21.401 -9.216 42.380 1.00 18.82 C ATOM 0 H ALA A 140 23.196 -8.460 40.839 1.00 18.09 H new ATOM 0 HA ALA A 140 20.611 -8.720 40.521 1.00 18.82 H new ATOM 0 HB1 ALA A 140 20.545 -9.309 42.827 1.00 18.82 H new ATOM 0 HB2 ALA A 140 21.716 -10.090 42.101 1.00 18.82 H new ATOM 0 HB3 ALA A 140 22.043 -8.821 42.990 1.00 18.82 H new ATOM 1131 N THR A 141 21.593 -6.043 41.919 1.00 19.04 N ATOM 1132 CA THR A 141 21.197 -4.653 42.275 1.00 18.21 C ATOM 1133 C THR A 141 20.648 -3.916 41.066 1.00 18.74 C ATOM 1134 O THR A 141 19.572 -3.309 41.130 1.00 17.23 O ATOM 1135 CB THR A 141 22.356 -3.889 42.931 1.00 16.83 C ATOM 1136 OG1 THR A 141 22.702 -4.535 44.161 1.00 18.24 O ATOM 1137 CG2 THR A 141 21.952 -2.435 43.243 1.00 17.27 C ATOM 0 H THR A 141 22.436 -6.200 41.979 1.00 19.04 H new ATOM 0 HA THR A 141 20.485 -4.706 42.932 1.00 18.21 H new ATOM 0 HB THR A 141 23.107 -3.884 42.317 1.00 16.83 H new ATOM 0 HG1 THR A 141 23.065 -5.275 43.997 1.00 18.24 H new ATOM 0 HG21 THR A 141 22.698 -1.973 43.656 1.00 17.27 H new ATOM 0 HG22 THR A 141 21.708 -1.983 42.420 1.00 17.27 H new ATOM 0 HG23 THR A 141 21.195 -2.432 43.850 1.00 17.27 H new ATOM 1138 N TYR A 142 21.378 -3.985 39.952 1.00 17.38 N ATOM 1139 CA TYR A 142 20.903 -3.458 38.696 1.00 17.49 C ATOM 1140 C TYR A 142 19.522 -3.974 38.339 1.00 16.70 C ATOM 1141 O TYR A 142 18.656 -3.179 37.996 1.00 18.03 O ATOM 1142 CB TYR A 142 21.881 -3.764 37.574 1.00 17.13 C ATOM 1143 CG TYR A 142 21.421 -3.298 36.235 1.00 11.47 C ATOM 1144 CD1 TYR A 142 21.441 -1.956 35.905 1.00 16.80 C ATOM 1145 CD2 TYR A 142 21.001 -4.199 35.259 1.00 15.56 C ATOM 1146 CE1 TYR A 142 21.032 -1.509 34.627 1.00 17.30 C ATOM 1147 CE2 TYR A 142 20.568 -3.753 33.982 1.00 23.54 C ATOM 1148 CZ TYR A 142 20.601 -2.401 33.675 1.00 21.53 C ATOM 1149 OH TYR A 142 20.173 -1.945 32.433 1.00 20.18 O ATOM 0 H TYR A 142 22.160 -4.340 39.914 1.00 17.38 H new ATOM 0 HA TYR A 142 20.837 -2.496 38.805 1.00 17.49 H new ATOM 0 HB2 TYR A 142 22.734 -3.349 37.777 1.00 17.13 H new ATOM 0 HB3 TYR A 142 22.033 -4.721 37.540 1.00 17.13 H new ATOM 0 HD1 TYR A 142 21.729 -1.335 36.535 1.00 16.80 H new ATOM 0 HD2 TYR A 142 21.004 -5.110 35.447 1.00 15.56 H new ATOM 0 HE1 TYR A 142 21.055 -0.601 34.429 1.00 17.30 H new ATOM 0 HE2 TYR A 142 20.263 -4.366 33.353 1.00 23.54 H new ATOM 0 HH TYR A 142 20.270 -1.112 32.392 1.00 20.18 H new ATOM 1150 N GLN A 143 19.301 -5.293 38.446 1.00 17.66 N ATOM 1151 CA GLN A 143 17.979 -5.866 38.119 1.00 18.83 C ATOM 1152 C GLN A 143 16.856 -5.417 39.028 1.00 17.29 C ATOM 1153 O GLN A 143 15.726 -5.222 38.555 1.00 19.17 O ATOM 1154 CB GLN A 143 18.007 -7.414 38.180 1.00 21.89 C ATOM 1155 CG GLN A 143 18.744 -8.042 37.013 1.00 33.75 C ATOM 1156 CD GLN A 143 18.012 -7.828 35.702 1.00 41.38 C ATOM 1157 OE1 GLN A 143 16.773 -7.777 35.675 1.00 37.88 O ATOM 1158 NE2 GLN A 143 18.771 -7.679 34.610 1.00 45.28 N ATOM 0 H GLN A 143 19.890 -5.865 38.701 1.00 17.66 H new ATOM 0 HA GLN A 143 17.802 -5.539 37.223 1.00 18.83 H new ATOM 0 HB2 GLN A 143 18.428 -7.692 39.009 1.00 21.89 H new ATOM 0 HB3 GLN A 143 17.097 -7.748 38.198 1.00 21.89 H new ATOM 0 HG2 GLN A 143 19.635 -7.663 36.951 1.00 33.75 H new ATOM 0 HG3 GLN A 143 18.851 -8.993 37.172 1.00 33.75 H new ATOM 0 HE21 GLN A 143 19.628 -7.721 34.673 1.00 45.28 H new ATOM 0 HE22 GLN A 143 18.402 -7.541 33.846 1.00 45.28 H new ATOM 1159 N ALA A 144 17.145 -5.308 40.327 1.00 17.33 N ATOM 1160 CA ALA A 144 16.144 -4.865 41.324 1.00 19.45 C ATOM 1161 C ALA A 144 15.703 -3.436 40.989 1.00 17.45 C ATOM 1162 O ALA A 144 14.531 -3.134 41.015 1.00 18.44 O ATOM 1163 CB ALA A 144 16.705 -4.948 42.768 1.00 18.49 C ATOM 0 H ALA A 144 17.918 -5.485 40.660 1.00 17.33 H new ATOM 0 HA ALA A 144 15.377 -5.458 41.284 1.00 19.45 H new ATOM 0 HB1 ALA A 144 16.028 -4.652 43.396 1.00 18.49 H new ATOM 0 HB2 ALA A 144 16.952 -5.865 42.967 1.00 18.49 H new ATOM 0 HB3 ALA A 144 17.487 -4.379 42.845 1.00 18.49 H new ATOM 1164 N LEU A 145 16.660 -2.570 40.648 1.00 19.85 N ATOM 1165 CA ALEU A 145 16.329 -1.195 40.238 0.50 17.92 C ATOM 1166 CA BLEU A 145 16.337 -1.202 40.224 0.50 18.49 C ATOM 1167 C LEU A 145 15.503 -1.215 38.952 1.00 18.36 C ATOM 1168 O LEU A 145 14.430 -0.563 38.861 1.00 16.58 O ATOM 1169 CB ALEU A 145 17.603 -0.350 40.056 0.50 17.29 C ATOM 1170 CB BLEU A 145 17.624 -0.414 39.993 0.50 18.07 C ATOM 1171 CG ALEU A 145 18.070 0.468 41.278 0.50 17.54 C ATOM 1172 CG BLEU A 145 18.384 -0.179 41.299 0.50 22.00 C ATOM 1173 CD1ALEU A 145 18.373 -0.394 42.521 0.50 11.82 C ATOM 1174 CD1BLEU A 145 19.671 0.578 41.020 0.50 15.37 C ATOM 1175 CD2ALEU A 145 19.293 1.310 40.890 0.50 13.91 C ATOM 1176 CD2BLEU A 145 17.475 0.550 42.273 0.50 22.37 C ATOM 0 H ALEU A 145 17.500 -2.753 40.646 0.50 19.85 H new ATOM 0 H BLEU A 145 17.500 -2.753 40.655 0.50 19.85 H new ATOM 0 HA ALEU A 145 15.801 -0.784 40.941 0.50 18.49 H new ATOM 0 HA BLEU A 145 15.820 -0.776 40.926 0.50 18.49 H new ATOM 0 HB2ALEU A 145 18.325 -0.943 39.794 0.50 18.07 H new ATOM 0 HB2BLEU A 145 18.191 -0.895 39.370 0.50 18.07 H new ATOM 0 HB3ALEU A 145 17.457 0.263 39.319 0.50 18.07 H new ATOM 0 HB3BLEU A 145 17.412 0.439 39.583 0.50 18.07 H new ATOM 0 HG ALEU A 145 17.333 1.045 41.533 0.50 22.00 H new ATOM 0 HG BLEU A 145 18.638 -1.023 41.705 0.50 22.00 H new ATOM 0 HD11ALEU A 145 18.660 0.178 43.250 0.50 15.37 H new ATOM 0 HD11BLEU A 145 20.148 0.724 41.852 0.50 15.37 H new ATOM 0 HD12ALEU A 145 17.573 -0.875 42.784 0.50 15.37 H new ATOM 0 HD12BLEU A 145 20.226 0.061 40.416 0.50 15.37 H new ATOM 0 HD13ALEU A 145 19.077 -1.028 42.312 0.50 15.37 H new ATOM 0 HD13BLEU A 145 19.462 1.434 40.614 0.50 15.37 H new ATOM 0 HD21ALEU A 145 19.588 1.825 41.657 0.50 22.37 H new ATOM 0 HD21BLEU A 145 17.949 0.704 43.105 0.50 22.37 H new ATOM 0 HD22ALEU A 145 20.010 0.725 40.599 0.50 22.37 H new ATOM 0 HD22BLEU A 145 17.208 1.401 41.892 0.50 22.37 H new ATOM 0 HD23ALEU A 145 19.055 1.913 40.168 0.50 22.37 H new ATOM 0 HD23BLEU A 145 16.687 0.012 42.445 0.50 22.37 H new ATOM 1177 N LEU A 146 15.981 -1.995 37.982 1.00 20.30 N ATOM 1178 CA LEU A 146 15.366 -2.070 36.665 1.00 19.78 C ATOM 1179 C LEU A 146 13.912 -2.545 36.773 1.00 19.76 C ATOM 1180 O LEU A 146 13.094 -2.077 36.039 1.00 21.56 O ATOM 1181 CB LEU A 146 16.228 -2.954 35.734 1.00 21.84 C ATOM 1182 CG LEU A 146 15.917 -3.032 34.240 1.00 21.95 C ATOM 1183 CD1 LEU A 146 16.012 -1.657 33.533 1.00 21.52 C ATOM 1184 CD2 LEU A 146 16.837 -4.032 33.568 1.00 25.66 C ATOM 0 H LEU A 146 16.674 -2.496 38.074 1.00 20.30 H new ATOM 0 HA LEU A 146 15.332 -1.186 36.267 1.00 19.78 H new ATOM 0 HB2 LEU A 146 17.146 -2.653 35.821 1.00 21.84 H new ATOM 0 HB3 LEU A 146 16.192 -3.859 36.082 1.00 21.84 H new ATOM 0 HG LEU A 146 14.997 -3.327 34.158 1.00 21.95 H new ATOM 0 HD11 LEU A 146 15.806 -1.762 32.591 1.00 21.52 H new ATOM 0 HD12 LEU A 146 15.379 -1.042 33.935 1.00 21.52 H new ATOM 0 HD13 LEU A 146 16.911 -1.305 33.630 1.00 21.52 H new ATOM 0 HD21 LEU A 146 16.632 -4.075 32.621 1.00 25.66 H new ATOM 0 HD22 LEU A 146 17.759 -3.755 33.687 1.00 25.66 H new ATOM 0 HD23 LEU A 146 16.709 -4.907 33.966 1.00 25.66 H new ATOM 1185 N ALA A 147 13.599 -3.380 37.750 1.00 19.86 N ATOM 1186 CA ALA A 147 12.235 -3.924 37.907 1.00 22.73 C ATOM 1187 C ALA A 147 11.237 -2.833 38.273 1.00 23.75 C ATOM 1188 O ALA A 147 10.061 -2.956 37.985 1.00 26.57 O ATOM 1189 CB ALA A 147 12.205 -5.055 38.964 1.00 20.92 C ATOM 0 H ALA A 147 14.159 -3.653 38.343 1.00 19.86 H new ATOM 0 HA ALA A 147 11.974 -4.296 37.050 1.00 22.73 H new ATOM 0 HB1 ALA A 147 11.301 -5.395 39.049 1.00 20.92 H new ATOM 0 HB2 ALA A 147 12.795 -5.773 38.687 1.00 20.92 H new ATOM 0 HB3 ALA A 147 12.500 -4.706 39.820 1.00 20.92 H new ATOM 1190 N GLU A 148 11.707 -1.767 38.904 1.00 22.38 N ATOM 1191 CA GLU A 148 10.816 -0.684 39.319 1.00 21.11 C ATOM 1192 C GLU A 148 11.051 0.621 38.546 1.00 21.04 C ATOM 1193 O GLU A 148 10.140 1.413 38.410 1.00 22.19 O ATOM 1194 CB GLU A 148 10.988 -0.439 40.810 1.00 20.31 C ATOM 1195 CG GLU A 148 10.433 -1.550 41.657 1.00 24.80 C ATOM 1196 CD GLU A 148 10.637 -1.303 43.127 1.00 26.90 C ATOM 1197 OE1 GLU A 148 10.479 -0.137 43.545 1.00 22.85 O ATOM 1198 OE2 GLU A 148 10.994 -2.257 43.858 1.00 23.26 O ATOM 0 H GLU A 148 12.535 -1.648 39.103 1.00 22.38 H new ATOM 0 HA GLU A 148 9.909 -0.965 39.119 1.00 21.11 H new ATOM 0 HB2 GLU A 148 11.931 -0.329 41.008 1.00 20.31 H new ATOM 0 HB3 GLU A 148 10.549 0.393 41.049 1.00 20.31 H new ATOM 0 HG2 GLU A 148 9.485 -1.649 41.476 1.00 24.80 H new ATOM 0 HG3 GLU A 148 10.858 -2.386 41.409 1.00 24.80 H new ATOM 1199 N SER A 149 12.270 0.841 38.047 1.00 18.31 N ATOM 1200 CA SER A 149 12.609 2.082 37.373 1.00 17.89 C ATOM 1201 C SER A 149 13.754 1.934 36.384 1.00 17.64 C ATOM 1202 O SER A 149 14.929 1.771 36.791 1.00 16.51 O ATOM 1203 CB SER A 149 12.956 3.181 38.407 1.00 17.19 C ATOM 1204 OG SER A 149 13.276 4.432 37.759 1.00 18.24 O ATOM 0 H SER A 149 12.916 0.275 38.092 1.00 18.31 H new ATOM 0 HA SER A 149 11.823 2.338 36.865 1.00 17.89 H new ATOM 0 HB2 SER A 149 12.206 3.309 39.009 1.00 17.19 H new ATOM 0 HB3 SER A 149 13.708 2.893 38.948 1.00 17.19 H new ATOM 0 HG SER A 149 12.567 4.848 37.586 1.00 18.24 H new ATOM 1205 N GLU A 150 13.442 2.038 35.087 1.00 18.11 N ATOM 1206 CA GLU A 150 14.514 2.083 34.060 1.00 20.30 C ATOM 1207 C GLU A 150 15.454 3.261 34.306 1.00 19.15 C ATOM 1208 O GLU A 150 16.680 3.178 34.100 1.00 17.85 O ATOM 1209 CB GLU A 150 13.918 2.212 32.655 1.00 23.67 C ATOM 1210 CG GLU A 150 13.262 0.921 32.148 1.00 33.40 C ATOM 1211 CD GLU A 150 12.513 1.140 30.842 1.00 46.56 C ATOM 1212 OE1 GLU A 150 13.095 1.763 29.924 1.00 42.87 O ATOM 1213 OE2 GLU A 150 11.343 0.701 30.741 1.00 56.05 O ATOM 0 H GLU A 150 12.640 2.083 34.779 1.00 18.11 H new ATOM 0 HA GLU A 150 15.012 1.253 34.125 1.00 20.30 H new ATOM 0 HB2 GLU A 150 13.258 2.923 32.655 1.00 23.67 H new ATOM 0 HB3 GLU A 150 14.618 2.475 32.037 1.00 23.67 H new ATOM 0 HG2 GLU A 150 13.942 0.242 32.020 1.00 33.40 H new ATOM 0 HG3 GLU A 150 12.648 0.585 32.820 1.00 33.40 H new ATOM 1214 N TYR A 151 14.871 4.387 34.703 1.00 17.31 N ATOM 1215 CA TYR A 151 15.649 5.593 35.019 1.00 16.34 C ATOM 1216 C TYR A 151 16.694 5.331 36.080 1.00 14.80 C ATOM 1217 O TYR A 151 17.904 5.599 35.867 1.00 16.96 O ATOM 1218 CB TYR A 151 14.662 6.675 35.482 1.00 17.94 C ATOM 1219 CG TYR A 151 15.233 8.046 35.762 1.00 17.89 C ATOM 1220 CD1 TYR A 151 16.043 8.275 36.897 1.00 13.61 C ATOM 1221 CD2 TYR A 151 14.898 9.140 34.947 1.00 17.87 C ATOM 1222 CE1 TYR A 151 16.516 9.564 37.205 1.00 12.24 C ATOM 1223 CE2 TYR A 151 15.400 10.417 35.229 1.00 14.65 C ATOM 1224 CZ TYR A 151 16.229 10.613 36.372 1.00 16.83 C ATOM 1225 OH TYR A 151 16.747 11.888 36.709 1.00 14.91 O ATOM 0 H TYR A 151 14.021 4.479 34.798 1.00 17.31 H new ATOM 0 HA TYR A 151 16.131 5.883 34.229 1.00 16.34 H new ATOM 0 HB2 TYR A 151 13.975 6.767 34.804 1.00 17.94 H new ATOM 0 HB3 TYR A 151 14.225 6.360 36.288 1.00 17.94 H new ATOM 0 HD1 TYR A 151 16.267 7.562 37.450 1.00 13.61 H new ATOM 0 HD2 TYR A 151 14.339 9.016 34.215 1.00 17.87 H new ATOM 0 HE1 TYR A 151 17.022 9.703 37.972 1.00 12.24 H new ATOM 0 HE2 TYR A 151 15.193 11.133 34.673 1.00 14.65 H new ATOM 0 HH TYR A 151 16.392 12.473 36.221 1.00 14.91 H new ATOM 1226 N ALA A 152 16.242 4.790 37.223 1.00 17.02 N ATOM 1227 CA ALA A 152 17.163 4.429 38.314 1.00 16.53 C ATOM 1228 C ALA A 152 18.244 3.471 37.854 1.00 17.15 C ATOM 1229 O ALA A 152 19.446 3.655 38.171 1.00 15.08 O ATOM 1230 CB ALA A 152 16.371 3.809 39.524 1.00 14.07 C ATOM 0 H ALA A 152 15.414 4.626 37.385 1.00 17.02 H new ATOM 0 HA ALA A 152 17.598 5.247 38.602 1.00 16.53 H new ATOM 0 HB1 ALA A 152 16.992 3.577 40.233 1.00 14.07 H new ATOM 0 HB2 ALA A 152 15.729 4.456 39.856 1.00 14.07 H new ATOM 0 HB3 ALA A 152 15.904 3.011 39.230 1.00 14.07 H new ATOM 1231 N ALA A 153 17.854 2.459 37.068 1.00 15.58 N ATOM 1232 CA ALA A 153 18.857 1.456 36.604 1.00 16.92 C ATOM 1233 C ALA A 153 19.937 2.064 35.699 1.00 14.46 C ATOM 1234 O ALA A 153 21.167 1.783 35.835 1.00 17.69 O ATOM 1235 CB ALA A 153 18.131 0.294 35.878 1.00 15.25 C ATOM 0 H ALA A 153 17.049 2.328 36.795 1.00 15.58 H new ATOM 0 HA ALA A 153 19.316 1.121 37.390 1.00 16.92 H new ATOM 0 HB1 ALA A 153 18.783 -0.357 35.577 1.00 15.25 H new ATOM 0 HB2 ALA A 153 17.509 -0.131 36.489 1.00 15.25 H new ATOM 0 HB3 ALA A 153 17.646 0.642 35.114 1.00 15.25 H new ATOM 1236 N TRP A 154 19.499 2.960 34.817 1.00 17.57 N ATOM 1237 CA TRP A 154 20.377 3.678 33.925 1.00 18.31 C ATOM 1238 C TRP A 154 21.389 4.475 34.713 1.00 19.66 C ATOM 1239 O TRP A 154 22.574 4.394 34.439 1.00 14.04 O ATOM 1240 CB TRP A 154 19.598 4.608 32.971 1.00 17.81 C ATOM 1241 CG TRP A 154 20.442 5.181 31.881 1.00 19.05 C ATOM 1242 CD1 TRP A 154 20.621 4.664 30.616 1.00 20.89 C ATOM 1243 CD2 TRP A 154 21.231 6.389 31.940 1.00 19.48 C ATOM 1244 NE1 TRP A 154 21.479 5.466 29.900 1.00 18.02 N ATOM 1245 CE2 TRP A 154 21.848 6.543 30.680 1.00 21.79 C ATOM 1246 CE3 TRP A 154 21.428 7.386 32.928 1.00 18.31 C ATOM 1247 CZ2 TRP A 154 22.693 7.626 30.390 1.00 21.79 C ATOM 1248 CZ3 TRP A 154 22.247 8.458 32.644 1.00 24.87 C ATOM 1249 CH2 TRP A 154 22.866 8.583 31.373 1.00 23.26 C ATOM 0 H TRP A 154 18.669 3.165 34.725 1.00 17.57 H new ATOM 0 HA TRP A 154 20.838 3.020 33.382 1.00 18.31 H new ATOM 0 HB2 TRP A 154 18.863 4.113 32.576 1.00 17.81 H new ATOM 0 HB3 TRP A 154 19.208 5.333 33.484 1.00 17.81 H new ATOM 0 HD1 TRP A 154 20.221 3.888 30.294 1.00 20.89 H new ATOM 0 HE1 TRP A 154 21.743 5.320 29.095 1.00 18.02 H new ATOM 0 HE3 TRP A 154 21.011 7.318 33.756 1.00 18.31 H new ATOM 0 HZ2 TRP A 154 23.121 7.697 29.567 1.00 21.79 H new ATOM 0 HZ3 TRP A 154 22.396 9.107 33.293 1.00 24.87 H new ATOM 0 HH2 TRP A 154 23.399 9.324 31.198 1.00 23.26 H new ATOM 1250 N VAL A 155 20.919 5.239 35.688 1.00 18.23 N ATOM 1251 CA VAL A 155 21.843 6.029 36.505 1.00 16.75 C ATOM 1252 C VAL A 155 22.773 5.103 37.283 1.00 16.72 C ATOM 1253 O VAL A 155 23.982 5.342 37.324 1.00 15.80 O ATOM 1254 CB VAL A 155 21.132 6.987 37.471 1.00 15.64 C ATOM 1255 CG1 VAL A 155 22.189 7.666 38.327 1.00 13.60 C ATOM 1256 CG2 VAL A 155 20.338 8.023 36.729 1.00 13.08 C ATOM 0 H VAL A 155 20.088 5.317 35.894 1.00 18.23 H new ATOM 0 HA VAL A 155 22.354 6.580 35.892 1.00 16.75 H new ATOM 0 HB VAL A 155 20.513 6.483 38.022 1.00 15.64 H new ATOM 0 HG11 VAL A 155 21.760 8.277 38.946 1.00 13.60 H new ATOM 0 HG12 VAL A 155 22.682 6.995 38.825 1.00 13.60 H new ATOM 0 HG13 VAL A 155 22.800 8.159 37.757 1.00 13.60 H new ATOM 0 HG21 VAL A 155 19.901 8.612 37.364 1.00 13.08 H new ATOM 0 HG22 VAL A 155 20.931 8.541 36.163 1.00 13.08 H new ATOM 0 HG23 VAL A 155 19.668 7.586 36.180 1.00 13.08 H new ATOM 1257 N ALA A 156 22.235 3.996 37.824 1.00 15.13 N ATOM 1258 CA ALA A 156 23.080 3.024 38.537 1.00 15.00 C ATOM 1259 C ALA A 156 24.167 2.438 37.623 1.00 16.45 C ATOM 1260 O ALA A 156 25.351 2.271 38.053 1.00 15.43 O ATOM 1261 CB ALA A 156 22.209 1.904 39.168 1.00 12.98 C ATOM 0 H ALA A 156 21.400 3.794 37.790 1.00 15.13 H new ATOM 0 HA ALA A 156 23.535 3.495 39.253 1.00 15.00 H new ATOM 0 HB1 ALA A 156 22.780 1.273 39.633 1.00 12.98 H new ATOM 0 HB2 ALA A 156 21.582 2.296 39.796 1.00 12.98 H new ATOM 0 HB3 ALA A 156 21.719 1.442 38.469 1.00 12.98 H new ATOM 1262 N ALA A 157 23.814 2.149 36.366 1.00 15.66 N ATOM 1263 CA ALA A 157 24.778 1.519 35.416 1.00 17.77 C ATOM 1264 C ALA A 157 25.828 2.479 34.865 1.00 18.07 C ATOM 1265 O ALA A 157 26.994 2.088 34.665 1.00 17.32 O ATOM 1266 CB ALA A 157 24.052 0.798 34.244 1.00 16.79 C ATOM 0 H ALA A 157 23.035 2.303 36.036 1.00 15.66 H new ATOM 0 HA ALA A 157 25.252 0.862 35.950 1.00 17.77 H new ATOM 0 HB1 ALA A 157 24.709 0.403 33.650 1.00 16.79 H new ATOM 0 HB2 ALA A 157 23.477 0.102 34.599 1.00 16.79 H new ATOM 0 HB3 ALA A 157 23.516 1.439 33.751 1.00 16.79 H new ATOM 1267 N LEU A 158 25.438 3.711 34.576 1.00 21.22 N ATOM 1268 CA LEU A 158 26.338 4.629 33.814 1.00 19.14 C ATOM 1269 C LEU A 158 26.824 5.863 34.591 1.00 16.19 C ATOM 1270 O LEU A 158 27.835 6.485 34.228 1.00 19.73 O ATOM 1271 CB LEU A 158 25.639 5.035 32.507 1.00 20.83 C ATOM 1272 CG LEU A 158 25.576 3.869 31.489 1.00 23.24 C ATOM 1273 CD1 LEU A 158 24.598 4.181 30.411 1.00 25.56 C ATOM 1274 CD2 LEU A 158 26.950 3.554 30.888 1.00 24.96 C ATOM 0 H LEU A 158 24.678 4.047 34.797 1.00 21.22 H new ATOM 0 HA LEU A 158 27.151 4.132 33.633 1.00 19.14 H new ATOM 0 HB2 LEU A 158 24.739 5.339 32.704 1.00 20.83 H new ATOM 0 HB3 LEU A 158 26.110 5.784 32.109 1.00 20.83 H new ATOM 0 HG LEU A 158 25.283 3.078 31.969 1.00 23.24 H new ATOM 0 HD11 LEU A 158 24.566 3.445 29.780 1.00 25.56 H new ATOM 0 HD12 LEU A 158 23.719 4.311 30.799 1.00 25.56 H new ATOM 0 HD13 LEU A 158 24.871 4.990 29.951 1.00 25.56 H new ATOM 0 HD21 LEU A 158 26.868 2.821 30.258 1.00 24.96 H new ATOM 0 HD22 LEU A 158 27.290 4.338 30.429 1.00 24.96 H new ATOM 0 HD23 LEU A 158 27.564 3.304 31.596 1.00 24.96 H new ATOM 1275 N GLY A 159 26.136 6.172 35.676 1.00 16.67 N ATOM 1276 CA GLY A 159 26.499 7.274 36.543 1.00 16.48 C ATOM 1277 C GLY A 159 26.220 8.655 35.958 1.00 16.65 C ATOM 1278 O GLY A 159 25.175 8.896 35.324 1.00 16.53 O ATOM 0 H GLY A 159 25.437 5.742 35.932 1.00 16.67 H new ATOM 0 HA2 GLY A 159 26.016 7.186 37.380 1.00 16.48 H new ATOM 0 HA3 GLY A 159 27.444 7.209 36.753 1.00 16.48 H new ATOM 1279 N TYR A 160 27.132 9.575 36.241 1.00 15.83 N ATOM 1280 CA TYR A 160 26.966 10.984 35.922 1.00 14.19 C ATOM 1281 C TYR A 160 27.605 11.289 34.589 1.00 16.42 C ATOM 1282 O TYR A 160 28.815 11.486 34.495 1.00 14.12 O ATOM 1283 CB TYR A 160 27.485 11.883 37.070 1.00 17.39 C ATOM 1284 CG TYR A 160 26.539 11.768 38.230 1.00 17.10 C ATOM 1285 CD1 TYR A 160 25.286 12.315 38.153 1.00 16.62 C ATOM 1286 CD2 TYR A 160 26.835 10.969 39.337 1.00 16.52 C ATOM 1287 CE1 TYR A 160 24.398 12.177 39.155 1.00 17.95 C ATOM 1288 CE2 TYR A 160 25.882 10.779 40.353 1.00 18.35 C ATOM 1289 CZ TYR A 160 24.706 11.400 40.258 1.00 17.20 C ATOM 1290 OH TYR A 160 23.767 11.195 41.248 1.00 14.87 O ATOM 0 H TYR A 160 27.877 9.394 36.630 1.00 15.83 H new ATOM 0 HA TYR A 160 26.021 11.185 35.838 1.00 14.19 H new ATOM 0 HB2 TYR A 160 28.377 11.610 37.335 1.00 17.39 H new ATOM 0 HB3 TYR A 160 27.546 12.805 36.775 1.00 17.39 H new ATOM 0 HD1 TYR A 160 25.043 12.792 37.392 1.00 16.62 H new ATOM 0 HD2 TYR A 160 27.668 10.560 39.402 1.00 16.52 H new ATOM 0 HE1 TYR A 160 23.574 12.606 39.106 1.00 17.95 H new ATOM 0 HE2 TYR A 160 26.069 10.229 41.079 1.00 18.35 H new ATOM 0 HH TYR A 160 23.143 11.750 41.161 1.00 14.87 H new ATOM 1291 N ARG A 161 26.786 11.274 33.555 1.00 13.27 N ATOM 1292 CA ARG A 161 27.198 11.478 32.160 1.00 15.10 C ATOM 1293 C ARG A 161 25.958 11.988 31.425 1.00 15.76 C ATOM 1294 O ARG A 161 24.830 11.822 31.916 1.00 16.05 O ATOM 1295 CB ARG A 161 27.706 10.181 31.485 1.00 15.54 C ATOM 1296 CG ARG A 161 28.677 9.374 32.267 1.00 18.14 C ATOM 1297 CD ARG A 161 29.047 8.073 31.601 1.00 21.06 C ATOM 1298 NE ARG A 161 29.920 8.263 30.443 1.00 18.59 N ATOM 1299 CZ ARG A 161 30.561 7.288 29.795 1.00 24.22 C ATOM 1300 NH1 ARG A 161 30.479 6.024 30.184 1.00 21.74 N ATOM 1301 NH2 ARG A 161 31.287 7.585 28.719 1.00 20.89 N ATOM 0 H ARG A 161 25.941 11.140 33.639 1.00 13.27 H new ATOM 0 HA ARG A 161 27.939 12.103 32.128 1.00 15.10 H new ATOM 0 HB2 ARG A 161 26.939 9.623 31.281 1.00 15.54 H new ATOM 0 HB3 ARG A 161 28.117 10.418 30.639 1.00 15.54 H new ATOM 0 HG2 ARG A 161 29.481 9.897 32.410 1.00 18.14 H new ATOM 0 HG3 ARG A 161 28.302 9.187 33.142 1.00 18.14 H new ATOM 0 HD2 ARG A 161 29.490 7.498 32.245 1.00 21.06 H new ATOM 0 HD3 ARG A 161 28.239 7.615 31.321 1.00 21.06 H new ATOM 0 HE ARG A 161 30.029 9.067 30.157 1.00 18.59 H new ATOM 0 HH11 ARG A 161 30.004 5.815 30.870 1.00 21.74 H new ATOM 0 HH12 ARG A 161 30.901 5.413 29.751 1.00 21.74 H new ATOM 0 HH21 ARG A 161 31.340 8.399 28.447 1.00 20.89 H new ATOM 0 HH22 ARG A 161 31.703 6.963 28.296 1.00 20.89 H new ATOM 1302 N ALA A 162 26.114 12.658 30.289 1.00 15.90 N ATOM 1303 CA ALA A 162 24.876 13.166 29.577 1.00 14.26 C ATOM 1304 C ALA A 162 24.010 11.994 29.198 1.00 15.91 C ATOM 1305 O ALA A 162 24.509 10.984 28.711 1.00 16.88 O ATOM 1306 CB ALA A 162 25.240 13.993 28.312 1.00 12.18 C ATOM 0 H ALA A 162 26.866 12.835 29.911 1.00 15.90 H new ATOM 0 HA ALA A 162 24.395 13.754 30.180 1.00 14.26 H new ATOM 0 HB1 ALA A 162 24.427 14.302 27.882 1.00 12.18 H new ATOM 0 HB2 ALA A 162 25.780 14.757 28.569 1.00 12.18 H new ATOM 0 HB3 ALA A 162 25.741 13.437 27.695 1.00 12.18 H new ATOM 1307 N ASN A 163 22.699 12.097 29.443 1.00 15.67 N ATOM 1308 CA ASN A 163 21.779 11.090 28.962 1.00 19.45 C ATOM 1309 C ASN A 163 21.527 11.256 27.472 1.00 20.00 C ATOM 1310 O ASN A 163 21.456 10.268 26.750 1.00 15.94 O ATOM 1311 CB ASN A 163 20.448 11.139 29.710 1.00 12.62 C ATOM 1312 CG ASN A 163 19.406 10.118 29.163 1.00 21.66 C ATOM 1313 OD1 ASN A 163 18.552 10.474 28.366 1.00 19.64 O ATOM 1314 ND2 ASN A 163 19.501 8.852 29.585 1.00 15.92 N ATOM 0 H ASN A 163 22.335 12.740 29.883 1.00 15.67 H new ATOM 0 HA ASN A 163 22.192 10.227 29.125 1.00 19.45 H new ATOM 0 HB2 ASN A 163 20.604 10.962 30.651 1.00 12.62 H new ATOM 0 HB3 ASN A 163 20.080 12.034 29.647 1.00 12.62 H new ATOM 0 HD21 ASN A 163 18.950 8.259 29.294 1.00 15.92 H new ATOM 0 HD22 ASN A 163 20.113 8.631 30.147 1.00 15.92 H new ATOM 1315 N HIS A 164 21.396 12.505 27.021 1.00 19.06 N ATOM 1316 CA HIS A 164 21.376 12.792 25.562 1.00 18.20 C ATOM 1317 C HIS A 164 21.670 14.243 25.250 1.00 15.90 C ATOM 1318 O HIS A 164 21.509 15.121 26.108 1.00 16.32 O ATOM 1319 CB HIS A 164 20.051 12.347 24.895 1.00 15.03 C ATOM 1320 CG HIS A 164 18.820 13.007 25.430 1.00 19.43 C ATOM 1321 ND1 HIS A 164 18.086 12.495 26.479 1.00 18.69 N ATOM 1322 CD2 HIS A 164 18.124 14.081 24.979 1.00 17.42 C ATOM 1323 CE1 HIS A 164 17.033 13.256 26.697 1.00 16.14 C ATOM 1324 NE2 HIS A 164 17.035 14.243 25.806 1.00 20.09 N ATOM 0 H HIS A 164 21.318 13.197 27.525 1.00 19.06 H new ATOM 0 HA HIS A 164 22.093 12.262 25.181 1.00 18.20 H new ATOM 0 HB2 HIS A 164 20.109 12.524 23.943 1.00 15.03 H new ATOM 0 HB3 HIS A 164 19.958 11.387 25.000 1.00 15.03 H new ATOM 0 HD1 HIS A 164 18.285 11.786 26.924 1.00 18.69 H new ATOM 0 HD2 HIS A 164 18.342 14.610 24.246 1.00 17.42 H new ATOM 0 HE1 HIS A 164 16.396 13.125 27.362 1.00 16.14 H new ATOM 1325 N PHE A 165 22.167 14.462 24.030 1.00 15.29 N ATOM 1326 CA PHE A 165 22.113 15.755 23.352 1.00 16.50 C ATOM 1327 C PHE A 165 20.977 15.742 22.349 1.00 17.98 C ATOM 1328 O PHE A 165 20.682 14.689 21.771 1.00 15.94 O ATOM 1329 CB PHE A 165 23.383 15.987 22.595 1.00 17.64 C ATOM 1330 CG PHE A 165 24.488 16.434 23.456 1.00 12.50 C ATOM 1331 CD1 PHE A 165 25.048 15.565 24.380 1.00 20.85 C ATOM 1332 CD2 PHE A 165 24.998 17.730 23.333 1.00 17.70 C ATOM 1333 CE1 PHE A 165 26.111 15.984 25.184 1.00 10.61 C ATOM 1334 CE2 PHE A 165 26.094 18.127 24.116 1.00 19.97 C ATOM 1335 CZ PHE A 165 26.590 17.277 25.069 1.00 18.60 C ATOM 0 H PHE A 165 22.552 13.849 23.566 1.00 15.29 H new ATOM 0 HA PHE A 165 21.985 16.451 24.015 1.00 16.50 H new ATOM 0 HB2 PHE A 165 23.641 15.167 22.145 1.00 17.64 H new ATOM 0 HB3 PHE A 165 23.227 16.651 21.906 1.00 17.64 H new ATOM 0 HD1 PHE A 165 24.715 14.701 24.465 1.00 20.85 H new ATOM 0 HD2 PHE A 165 24.612 18.328 22.734 1.00 17.70 H new ATOM 0 HE1 PHE A 165 26.495 15.396 25.794 1.00 10.61 H new ATOM 0 HE2 PHE A 165 26.481 18.963 23.988 1.00 19.97 H new ATOM 0 HZ PHE A 165 27.257 17.573 25.646 1.00 18.60 H new ATOM 1336 N THR A 166 20.381 16.916 22.133 1.00 15.99 N ATOM 1337 CA THR A 166 19.318 17.102 21.171 1.00 17.75 C ATOM 1338 C THR A 166 19.614 18.232 20.192 1.00 16.90 C ATOM 1339 O THR A 166 19.800 19.382 20.612 1.00 14.65 O ATOM 1340 CB THR A 166 17.994 17.404 21.874 1.00 14.20 C ATOM 1341 OG1 THR A 166 17.685 16.333 22.778 1.00 16.67 O ATOM 1342 CG2 THR A 166 16.872 17.555 20.805 1.00 14.63 C ATOM 0 H THR A 166 20.594 17.635 22.554 1.00 15.99 H new ATOM 0 HA THR A 166 19.253 16.271 20.676 1.00 17.75 H new ATOM 0 HB THR A 166 18.062 18.230 22.378 1.00 14.20 H new ATOM 0 HG1 THR A 166 16.865 16.157 22.734 1.00 16.67 H new ATOM 0 HG21 THR A 166 16.029 17.747 21.245 1.00 14.63 H new ATOM 0 HG22 THR A 166 17.094 18.282 20.203 1.00 14.63 H new ATOM 0 HG23 THR A 166 16.792 16.730 20.300 1.00 14.63 H new ATOM 1343 N VAL A 167 19.668 17.890 18.902 1.00 13.83 N ATOM 1344 CA VAL A 167 19.862 18.835 17.821 1.00 11.56 C ATOM 1345 C VAL A 167 18.682 19.746 17.628 1.00 15.47 C ATOM 1346 O VAL A 167 17.535 19.296 17.686 1.00 14.20 O ATOM 1347 CB VAL A 167 20.187 18.091 16.505 1.00 12.93 C ATOM 1348 CG1 VAL A 167 20.315 19.068 15.341 1.00 14.39 C ATOM 1349 CG2 VAL A 167 21.506 17.277 16.703 1.00 18.22 C ATOM 0 H VAL A 167 19.590 17.077 18.633 1.00 13.83 H new ATOM 0 HA VAL A 167 20.614 19.395 18.069 1.00 11.56 H new ATOM 0 HB VAL A 167 19.462 17.484 16.288 1.00 12.93 H new ATOM 0 HG11 VAL A 167 20.519 18.579 14.529 1.00 14.39 H new ATOM 0 HG12 VAL A 167 19.480 19.548 15.228 1.00 14.39 H new ATOM 0 HG13 VAL A 167 21.028 19.699 15.525 1.00 14.39 H new ATOM 0 HG21 VAL A 167 21.721 16.805 15.883 1.00 18.22 H new ATOM 0 HG22 VAL A 167 22.230 17.883 16.926 1.00 18.22 H new ATOM 0 HG23 VAL A 167 21.387 16.637 17.422 1.00 18.22 H new ATOM 1350 N SER A 168 18.953 21.040 17.430 1.00 14.27 N ATOM 1351 CA SER A 168 17.922 21.983 17.147 1.00 16.41 C ATOM 1352 C SER A 168 17.678 21.956 15.645 1.00 16.21 C ATOM 1353 O SER A 168 18.527 22.438 14.857 1.00 16.48 O ATOM 1354 CB SER A 168 18.343 23.406 17.545 1.00 19.09 C ATOM 1355 OG SER A 168 17.383 24.337 17.075 1.00 13.69 O ATOM 0 H SER A 168 19.744 21.376 17.460 1.00 14.27 H new ATOM 0 HA SER A 168 17.127 21.748 17.650 1.00 16.41 H new ATOM 0 HB2 SER A 168 18.424 23.471 18.509 1.00 19.09 H new ATOM 0 HB3 SER A 168 19.215 23.611 17.172 1.00 19.09 H new ATOM 0 HG SER A 168 17.717 25.108 17.072 1.00 13.69 H new ATOM 1356 N ILE A 169 16.512 21.426 15.273 1.00 15.40 N ATOM 1357 CA AILE A 169 16.090 21.390 13.873 0.60 17.33 C ATOM 1358 CA BILE A 169 16.063 21.393 13.877 0.40 16.71 C ATOM 1359 C ILE A 169 15.857 22.835 13.399 1.00 15.29 C ATOM 1360 O ILE A 169 16.253 23.186 12.290 1.00 17.16 O ATOM 1361 CB AILE A 169 14.821 20.515 13.665 0.60 16.73 C ATOM 1362 CB BILE A 169 14.734 20.598 13.695 0.40 15.83 C ATOM 1363 CG1AILE A 169 15.150 19.034 13.957 0.60 20.59 C ATOM 1364 CG1BILE A 169 14.904 19.128 14.123 0.40 19.61 C ATOM 1365 CG2AILE A 169 14.285 20.664 12.233 0.60 16.95 C ATOM 1366 CG2BILE A 169 14.267 20.657 12.236 0.40 16.39 C ATOM 1367 CD1AILE A 169 13.918 18.139 14.041 0.60 9.48 C ATOM 1368 CD1BILE A 169 15.893 18.350 13.294 0.40 7.58 C ATOM 0 H AILE A 169 15.947 21.080 15.821 0.60 15.40 H new ATOM 0 H BILE A 169 15.955 21.073 15.826 0.40 15.40 H new ATOM 0 HA AILE A 169 16.789 20.977 13.342 0.60 16.71 H new ATOM 0 HA BILE A 169 16.743 20.940 13.354 0.40 16.71 H new ATOM 0 HB AILE A 169 14.135 20.817 14.280 0.60 15.83 H new ATOM 0 HB BILE A 169 14.064 21.011 14.262 0.40 15.83 H new ATOM 0 HG12AILE A 169 15.737 18.698 13.262 0.60 19.61 H new ATOM 0 HG12BILE A 169 15.186 19.103 15.051 0.40 19.61 H new ATOM 0 HG13AILE A 169 15.639 18.978 14.793 0.60 19.61 H new ATOM 0 HG13BILE A 169 14.041 18.687 14.076 0.40 19.61 H new ATOM 0 HG21AILE A 169 13.495 20.112 12.124 0.60 16.39 H new ATOM 0 HG21BILE A 169 13.441 20.158 12.140 0.40 16.39 H new ATOM 0 HG22AILE A 169 14.055 21.592 12.068 0.60 16.39 H new ATOM 0 HG22BILE A 169 14.118 21.581 11.981 0.40 16.39 H new ATOM 0 HG23AILE A 169 14.966 20.383 11.602 0.60 16.39 H new ATOM 0 HG23BILE A 169 14.946 20.269 11.663 0.40 16.39 H new ATOM 0 HD11AILE A 169 14.192 17.227 14.225 0.60 7.58 H new ATOM 0 HD11BILE A 169 15.945 17.439 13.622 0.40 7.58 H new ATOM 0 HD12AILE A 169 13.338 18.452 14.753 0.60 7.58 H new ATOM 0 HD12BILE A 169 15.605 18.344 12.368 0.40 7.58 H new ATOM 0 HD13AILE A 169 13.439 18.168 13.198 0.60 7.58 H new ATOM 0 HD13BILE A 169 16.767 18.766 13.357 0.40 7.58 H new ATOM 1369 N ASN A 170 15.245 23.655 14.254 1.00 14.13 N ATOM 1370 CA ASN A 170 15.057 25.087 13.981 1.00 12.86 C ATOM 1371 C ASN A 170 16.318 25.699 13.386 1.00 17.51 C ATOM 1372 O ASN A 170 16.263 26.402 12.390 1.00 18.42 O ATOM 1373 CB ASN A 170 14.672 25.876 15.232 1.00 14.82 C ATOM 1374 CG ASN A 170 13.371 25.370 15.893 1.00 18.09 C ATOM 1375 OD1 ASN A 170 13.253 24.187 16.279 1.00 18.27 O ATOM 1376 ND2 ASN A 170 12.416 26.271 16.060 1.00 11.11 N ATOM 0 H ASN A 170 14.926 23.399 15.010 1.00 14.13 H new ATOM 0 HA ASN A 170 14.327 25.145 13.345 1.00 12.86 H new ATOM 0 HB2 ASN A 170 15.396 25.825 15.875 1.00 14.82 H new ATOM 0 HB3 ASN A 170 14.566 26.811 14.998 1.00 14.82 H new ATOM 0 HD21 ASN A 170 11.680 26.051 16.447 1.00 11.11 H new ATOM 0 HD22 ASN A 170 12.531 27.077 15.782 1.00 11.11 H new ATOM 1377 N ASP A 171 17.462 25.403 13.998 1.00 16.54 N ATOM 1378 CA ASP A 171 18.733 26.022 13.623 1.00 17.47 C ATOM 1379 C ASP A 171 19.502 25.358 12.484 1.00 19.15 C ATOM 1380 O ASP A 171 20.480 25.940 12.004 1.00 17.99 O ATOM 1381 CB ASP A 171 19.625 26.113 14.830 1.00 15.89 C ATOM 1382 CG ASP A 171 19.129 27.162 15.867 1.00 21.18 C ATOM 1383 OD1 ASP A 171 19.519 28.343 15.764 1.00 26.97 O ATOM 1384 OD2 ASP A 171 18.424 26.786 16.825 1.00 25.79 O ATOM 0 H ASP A 171 17.524 24.837 14.643 1.00 16.54 H new ATOM 0 HA ASP A 171 18.483 26.895 13.281 1.00 17.47 H new ATOM 0 HB2 ASP A 171 19.677 25.243 15.255 1.00 15.89 H new ATOM 0 HB3 ASP A 171 20.523 26.344 14.547 1.00 15.89 H new ATOM 1385 N LEU A 172 19.082 24.180 12.029 1.00 17.78 N ATOM 1386 CA LEU A 172 19.804 23.520 10.913 1.00 18.79 C ATOM 1387 C LEU A 172 19.534 24.294 9.610 1.00 18.80 C ATOM 1388 O LEU A 172 18.389 24.430 9.195 1.00 19.10 O ATOM 1389 CB LEU A 172 19.360 22.074 10.728 1.00 17.62 C ATOM 1390 CG LEU A 172 19.731 21.023 11.774 1.00 19.43 C ATOM 1391 CD1 LEU A 172 18.998 19.729 11.440 1.00 17.92 C ATOM 1392 CD2 LEU A 172 21.258 20.804 11.856 1.00 15.26 C ATOM 0 H LEU A 172 18.404 23.748 12.334 1.00 17.78 H new ATOM 0 HA LEU A 172 20.750 23.521 11.127 1.00 18.79 H new ATOM 0 HB2 LEU A 172 18.393 22.076 10.651 1.00 17.62 H new ATOM 0 HB3 LEU A 172 19.711 21.771 9.876 1.00 17.62 H new ATOM 0 HG LEU A 172 19.458 21.336 12.651 1.00 19.43 H new ATOM 0 HD11 LEU A 172 19.223 19.051 12.096 1.00 17.92 H new ATOM 0 HD12 LEU A 172 18.041 19.886 11.454 1.00 17.92 H new ATOM 0 HD13 LEU A 172 19.263 19.425 10.558 1.00 17.92 H new ATOM 0 HD21 LEU A 172 21.453 20.133 12.528 1.00 15.26 H new ATOM 0 HD22 LEU A 172 21.589 20.504 10.995 1.00 15.26 H new ATOM 0 HD23 LEU A 172 21.692 21.637 12.097 1.00 15.26 H new ATOM 1393 N PRO A 173 20.583 24.834 8.974 1.00 21.42 N ATOM 1394 CA PRO A 173 20.311 25.616 7.765 1.00 23.36 C ATOM 1395 C PRO A 173 19.743 24.861 6.563 1.00 24.50 C ATOM 1396 O PRO A 173 19.073 25.472 5.741 1.00 27.34 O ATOM 1397 CB PRO A 173 21.673 26.230 7.417 1.00 25.61 C ATOM 1398 CG PRO A 173 22.680 25.519 8.205 1.00 27.49 C ATOM 1399 CD PRO A 173 21.982 24.974 9.425 1.00 22.96 C ATOM 0 HA PRO A 173 19.602 26.250 7.955 1.00 23.36 H new ATOM 0 HB2 PRO A 173 21.856 26.143 6.468 1.00 25.61 H new ATOM 0 HB3 PRO A 173 21.684 27.178 7.622 1.00 25.61 H new ATOM 0 HG2 PRO A 173 23.077 24.801 7.687 1.00 27.49 H new ATOM 0 HG3 PRO A 173 23.401 26.116 8.460 1.00 27.49 H new ATOM 0 HD2 PRO A 173 22.356 24.123 9.703 1.00 22.96 H new ATOM 0 HD3 PRO A 173 22.057 25.577 10.181 1.00 22.96 H new ATOM 1400 N GLU A 174 19.997 23.557 6.461 1.00 22.91 N ATOM 1401 CA GLU A 174 19.591 22.799 5.275 1.00 22.46 C ATOM 1402 C GLU A 174 18.272 22.053 5.407 1.00 20.93 C ATOM 1403 O GLU A 174 17.853 21.381 4.467 1.00 20.39 O ATOM 1404 CB GLU A 174 20.664 21.782 4.915 1.00 23.07 C ATOM 1405 CG GLU A 174 21.974 22.377 4.498 1.00 31.92 C ATOM 1406 CD GLU A 174 23.116 21.378 4.603 1.00 44.48 C ATOM 1407 OE1 GLU A 174 22.856 20.153 4.606 1.00 52.09 O ATOM 1408 OE2 GLU A 174 24.281 21.821 4.702 1.00 59.74 O ATOM 0 H GLU A 174 20.401 23.094 7.063 1.00 22.91 H new ATOM 0 HA GLU A 174 19.471 23.470 4.585 1.00 22.46 H new ATOM 0 HB2 GLU A 174 20.814 21.204 5.679 1.00 23.07 H new ATOM 0 HB3 GLU A 174 20.333 21.222 4.196 1.00 23.07 H new ATOM 0 HG2 GLU A 174 21.907 22.695 3.584 1.00 31.92 H new ATOM 0 HG3 GLU A 174 22.169 23.148 5.053 1.00 31.92 H new ATOM 1409 N PHE A 175 17.643 22.098 6.567 1.00 18.62 N ATOM 1410 CA PHE A 175 16.427 21.319 6.796 1.00 17.78 C ATOM 1411 C PHE A 175 15.347 22.208 7.355 1.00 18.07 C ATOM 1412 O PHE A 175 15.606 23.103 8.166 1.00 19.19 O ATOM 1413 CB PHE A 175 16.671 20.165 7.765 1.00 18.32 C ATOM 1414 CG PHE A 175 17.532 19.069 7.218 1.00 21.09 C ATOM 1415 CD1 PHE A 175 16.966 18.010 6.533 1.00 22.94 C ATOM 1416 CD2 PHE A 175 18.902 19.075 7.425 1.00 25.38 C ATOM 1417 CE1 PHE A 175 17.757 16.988 6.024 1.00 26.13 C ATOM 1418 CE2 PHE A 175 19.697 18.047 6.932 1.00 25.85 C ATOM 1419 CZ PHE A 175 19.122 17.010 6.223 1.00 23.69 C ATOM 0 H PHE A 175 17.898 22.571 7.238 1.00 18.62 H new ATOM 0 HA PHE A 175 16.151 20.950 5.942 1.00 17.78 H new ATOM 0 HB2 PHE A 175 17.084 20.515 8.570 1.00 18.32 H new ATOM 0 HB3 PHE A 175 15.815 19.790 8.026 1.00 18.32 H new ATOM 0 HD1 PHE A 175 16.044 17.982 6.412 1.00 22.94 H new ATOM 0 HD2 PHE A 175 19.293 19.773 7.898 1.00 25.38 H new ATOM 0 HE1 PHE A 175 17.367 16.290 5.550 1.00 26.13 H new ATOM 0 HE2 PHE A 175 20.615 18.057 7.079 1.00 25.85 H new ATOM 0 HZ PHE A 175 19.654 16.328 5.881 1.00 23.69 H new ATOM 1420 N GLU A 176 14.117 21.967 6.936 1.00 18.13 N ATOM 1421 CA GLU A 176 12.988 22.643 7.539 1.00 16.26 C ATOM 1422 C GLU A 176 12.211 21.731 8.499 1.00 18.87 C ATOM 1423 O GLU A 176 11.845 22.143 9.611 1.00 18.73 O ATOM 1424 CB GLU A 176 12.055 23.109 6.437 1.00 18.49 C ATOM 1425 CG GLU A 176 10.796 23.766 6.961 1.00 19.90 C ATOM 1426 CD GLU A 176 9.943 24.318 5.831 1.00 22.51 C ATOM 1427 OE1 GLU A 176 10.425 24.392 4.691 1.00 32.13 O ATOM 1428 OE2 GLU A 176 8.796 24.685 6.100 1.00 28.83 O ATOM 0 H GLU A 176 13.916 21.417 6.306 1.00 18.13 H new ATOM 0 HA GLU A 176 13.327 23.392 8.053 1.00 16.26 H new ATOM 0 HB2 GLU A 176 12.526 23.735 5.866 1.00 18.49 H new ATOM 0 HB3 GLU A 176 11.811 22.350 5.885 1.00 18.49 H new ATOM 0 HG2 GLU A 176 10.281 23.121 7.471 1.00 19.90 H new ATOM 0 HG3 GLU A 176 11.033 24.484 7.569 1.00 19.90 H new ATOM 1429 N ARG A 177 11.957 20.492 8.071 1.00 15.52 N ATOM 1430 CA ARG A 177 11.018 19.626 8.764 1.00 20.21 C ATOM 1431 C ARG A 177 11.727 18.460 9.404 1.00 19.81 C ATOM 1432 O ARG A 177 12.673 17.899 8.824 1.00 19.38 O ATOM 1433 CB ARG A 177 9.950 19.091 7.793 1.00 22.02 C ATOM 1434 CG ARG A 177 9.119 20.170 7.049 1.00 28.36 C ATOM 1435 CD ARG A 177 7.914 19.544 6.285 1.00 31.05 C ATOM 1436 NE ARG A 177 8.334 18.368 5.511 1.00 45.57 N ATOM 1437 CZ ARG A 177 7.636 17.230 5.349 1.00 52.28 C ATOM 1438 NH1 ARG A 177 6.432 17.045 5.902 1.00 47.54 N ATOM 1439 NH2 ARG A 177 8.163 16.243 4.624 1.00 51.34 N ATOM 0 H ARG A 177 12.323 20.138 7.378 1.00 15.52 H new ATOM 0 HA ARG A 177 10.591 20.157 9.454 1.00 20.21 H new ATOM 0 HB2 ARG A 177 10.388 18.531 7.133 1.00 22.02 H new ATOM 0 HB3 ARG A 177 9.341 18.522 8.289 1.00 22.02 H new ATOM 0 HG2 ARG A 177 8.793 20.825 7.686 1.00 28.36 H new ATOM 0 HG3 ARG A 177 9.689 20.643 6.423 1.00 28.36 H new ATOM 0 HD2 ARG A 177 7.223 19.290 6.917 1.00 31.05 H new ATOM 0 HD3 ARG A 177 7.525 20.205 5.690 1.00 31.05 H new ATOM 0 HE ARG A 177 9.101 18.412 5.124 1.00 45.57 H new ATOM 0 HH11 ARG A 177 6.079 17.666 6.381 1.00 47.54 H new ATOM 0 HH12 ARG A 177 6.011 16.305 5.779 1.00 47.54 H new ATOM 0 HH21 ARG A 177 8.940 16.339 4.267 1.00 51.34 H new ATOM 0 HH22 ARG A 177 7.726 15.510 4.513 1.00 51.34 H new ATOM 1440 N ILE A 178 11.245 18.070 10.587 1.00 20.64 N ATOM 1441 CA ILE A 178 11.752 16.880 11.288 1.00 21.62 C ATOM 1442 C ILE A 178 11.667 15.628 10.378 1.00 21.29 C ATOM 1443 O ILE A 178 12.603 14.806 10.342 1.00 19.30 O ATOM 1444 CB ILE A 178 11.043 16.659 12.706 1.00 20.98 C ATOM 1445 CG1 ILE A 178 11.777 15.575 13.509 1.00 22.47 C ATOM 1446 CG2 ILE A 178 9.538 16.300 12.562 1.00 19.35 C ATOM 1447 CD1 ILE A 178 11.602 15.630 15.030 1.00 15.95 C ATOM 0 H ILE A 178 10.618 18.484 11.006 1.00 20.64 H new ATOM 0 HA ILE A 178 12.689 17.032 11.486 1.00 21.62 H new ATOM 0 HB ILE A 178 11.093 17.500 13.186 1.00 20.98 H new ATOM 0 HG12 ILE A 178 11.475 14.707 13.198 1.00 22.47 H new ATOM 0 HG13 ILE A 178 12.724 15.635 13.308 1.00 22.47 H new ATOM 0 HG21 ILE A 178 9.149 16.175 13.442 1.00 19.35 H new ATOM 0 HG22 ILE A 178 9.076 17.019 12.104 1.00 19.35 H new ATOM 0 HG23 ILE A 178 9.448 15.481 12.050 1.00 19.35 H new ATOM 0 HD11 ILE A 178 12.102 14.907 15.440 1.00 15.95 H new ATOM 0 HD12 ILE A 178 11.930 16.480 15.363 1.00 15.95 H new ATOM 0 HD13 ILE A 178 10.662 15.538 15.251 1.00 15.95 H new ATOM 1448 N GLU A 179 10.575 15.510 9.617 1.00 22.21 N ATOM 1449 CA GLU A 179 10.421 14.399 8.661 1.00 24.08 C ATOM 1450 C GLU A 179 11.578 14.335 7.671 1.00 23.71 C ATOM 1451 O GLU A 179 12.008 13.265 7.299 1.00 22.51 O ATOM 1452 CB GLU A 179 9.092 14.452 7.898 1.00 25.42 C ATOM 1453 CG GLU A 179 7.868 14.306 8.798 1.00 26.96 C ATOM 1454 CD GLU A 179 7.429 15.624 9.444 1.00 31.83 C ATOM 1455 OE1 GLU A 179 8.134 16.659 9.324 1.00 29.47 O ATOM 1456 OE2 GLU A 179 6.371 15.625 10.090 1.00 34.18 O ATOM 0 H GLU A 179 9.913 16.058 9.636 1.00 22.21 H new ATOM 0 HA GLU A 179 10.424 13.592 9.200 1.00 24.08 H new ATOM 0 HB2 GLU A 179 9.035 15.294 7.420 1.00 25.42 H new ATOM 0 HB3 GLU A 179 9.081 13.747 7.232 1.00 25.42 H new ATOM 0 HG2 GLU A 179 7.132 13.948 8.277 1.00 26.96 H new ATOM 0 HG3 GLU A 179 8.062 13.660 9.495 1.00 26.96 H new ATOM 1457 N ASP A 180 12.083 15.488 7.249 1.00 22.10 N ATOM 1458 CA ASP A 180 13.170 15.508 6.287 1.00 21.12 C ATOM 1459 C ASP A 180 14.481 15.139 6.946 1.00 18.81 C ATOM 1460 O ASP A 180 15.302 14.464 6.347 1.00 20.98 O ATOM 1461 CB ASP A 180 13.258 16.876 5.617 1.00 22.88 C ATOM 1462 CG ASP A 180 12.025 17.179 4.783 1.00 25.79 C ATOM 1463 OD1 ASP A 180 11.585 16.271 4.048 1.00 35.16 O ATOM 1464 OD2 ASP A 180 11.483 18.290 4.890 1.00 34.51 O ATOM 0 H ASP A 180 11.812 16.262 7.506 1.00 22.10 H new ATOM 0 HA ASP A 180 12.988 14.845 5.603 1.00 21.12 H new ATOM 0 HB2 ASP A 180 13.366 17.561 6.295 1.00 22.88 H new ATOM 0 HB3 ASP A 180 14.046 16.909 5.052 1.00 22.88 H new ATOM 1465 N VAL A 181 14.684 15.560 8.185 1.00 17.56 N ATOM 1466 CA VAL A 181 15.896 15.124 8.930 1.00 15.93 C ATOM 1467 C VAL A 181 15.862 13.610 9.121 1.00 16.97 C ATOM 1468 O VAL A 181 16.859 12.908 8.922 1.00 17.30 O ATOM 1469 CB VAL A 181 15.986 15.814 10.302 1.00 17.67 C ATOM 1470 CG1 VAL A 181 17.161 15.250 11.142 1.00 16.35 C ATOM 1471 CG2 VAL A 181 16.109 17.341 10.099 1.00 18.88 C ATOM 0 H VAL A 181 14.157 16.085 8.618 1.00 17.56 H new ATOM 0 HA VAL A 181 16.677 15.375 8.412 1.00 15.93 H new ATOM 0 HB VAL A 181 15.176 15.631 10.803 1.00 17.67 H new ATOM 0 HG11 VAL A 181 17.193 15.703 11.999 1.00 16.35 H new ATOM 0 HG12 VAL A 181 17.031 14.299 11.284 1.00 16.35 H new ATOM 0 HG13 VAL A 181 17.996 15.395 10.669 1.00 16.35 H new ATOM 0 HG21 VAL A 181 16.166 17.779 10.963 1.00 18.88 H new ATOM 0 HG22 VAL A 181 16.908 17.536 9.585 1.00 18.88 H new ATOM 0 HG23 VAL A 181 15.330 17.668 9.622 1.00 18.88 H new ATOM 1472 N ASN A 182 14.704 13.108 9.527 1.00 16.71 N ATOM 1473 CA ASN A 182 14.523 11.670 9.745 1.00 18.44 C ATOM 1474 C ASN A 182 14.818 10.871 8.487 1.00 21.27 C ATOM 1475 O ASN A 182 15.457 9.807 8.555 1.00 22.07 O ATOM 1476 CB ASN A 182 13.105 11.371 10.271 1.00 17.65 C ATOM 1477 CG ASN A 182 12.946 11.692 11.751 1.00 21.62 C ATOM 1478 OD1 ASN A 182 13.922 12.050 12.430 1.00 19.69 O ATOM 1479 ND2 ASN A 182 11.717 11.547 12.276 1.00 20.56 N ATOM 0 H ASN A 182 14.004 13.582 9.684 1.00 16.71 H new ATOM 0 HA ASN A 182 15.162 11.393 10.420 1.00 18.44 H new ATOM 0 HB2 ASN A 182 12.460 11.886 9.761 1.00 17.65 H new ATOM 0 HB3 ASN A 182 12.900 10.434 10.123 1.00 17.65 H new ATOM 0 HD21 ASN A 182 11.585 11.704 13.111 1.00 20.56 H new ATOM 0 HD22 ASN A 182 11.063 11.297 11.777 1.00 20.56 H new ATOM 1480 N GLN A 183 14.402 11.395 7.338 1.00 22.63 N ATOM 1481 CA GLN A 183 14.629 10.697 6.076 1.00 24.93 C ATOM 1482 C GLN A 183 16.128 10.651 5.757 1.00 24.98 C ATOM 1483 O GLN A 183 16.629 9.600 5.374 1.00 25.38 O ATOM 1484 CB GLN A 183 13.814 11.322 4.935 1.00 25.47 C ATOM 1485 CG GLN A 183 13.733 10.483 3.650 1.00 32.95 C ATOM 1486 CD GLN A 183 13.288 9.042 3.912 1.00 34.43 C ATOM 1487 OE1 GLN A 183 12.339 8.792 4.662 1.00 45.26 O ATOM 1488 NE2 GLN A 183 14.007 8.090 3.334 1.00 51.90 N ATOM 0 H GLN A 183 13.990 12.147 7.267 1.00 22.63 H new ATOM 0 HA GLN A 183 14.318 9.783 6.169 1.00 24.93 H new ATOM 0 HB2 GLN A 183 12.913 11.487 5.254 1.00 25.47 H new ATOM 0 HB3 GLN A 183 14.200 12.185 4.717 1.00 25.47 H new ATOM 0 HG2 GLN A 183 13.113 10.902 3.033 1.00 32.95 H new ATOM 0 HG3 GLN A 183 14.601 10.476 3.218 1.00 32.95 H new ATOM 0 HE21 GLN A 183 14.662 8.299 2.817 1.00 51.90 H new ATOM 0 HE22 GLN A 183 13.819 7.263 3.476 1.00 51.90 H new ATOM 1489 N ALA A 184 16.847 11.760 5.961 1.00 24.02 N ATOM 1490 CA ALA A 184 18.307 11.807 5.726 1.00 23.60 C ATOM 1491 C ALA A 184 19.049 10.820 6.631 1.00 24.58 C ATOM 1492 O ALA A 184 20.069 10.239 6.249 1.00 24.34 O ATOM 1493 CB ALA A 184 18.865 13.228 5.950 1.00 22.01 C ATOM 0 H ALA A 184 16.511 12.502 6.237 1.00 24.02 H new ATOM 0 HA ALA A 184 18.452 11.554 4.801 1.00 23.60 H new ATOM 0 HB1 ALA A 184 19.822 13.229 5.789 1.00 22.01 H new ATOM 0 HB2 ALA A 184 18.434 13.845 5.338 1.00 22.01 H new ATOM 0 HB3 ALA A 184 18.691 13.504 6.863 1.00 22.01 H new ATOM 1494 N LEU A 185 18.569 10.691 7.861 1.00 22.77 N ATOM 1495 CA LEU A 185 19.187 9.784 8.814 1.00 23.60 C ATOM 1496 C LEU A 185 19.002 8.337 8.350 1.00 21.77 C ATOM 1497 O LEU A 185 19.949 7.563 8.352 1.00 20.09 O ATOM 1498 CB LEU A 185 18.564 9.950 10.194 1.00 19.67 C ATOM 1499 CG LEU A 185 18.763 11.321 10.838 1.00 25.90 C ATOM 1500 CD1 LEU A 185 18.078 11.335 12.200 1.00 25.66 C ATOM 1501 CD2 LEU A 185 20.247 11.653 10.912 1.00 20.35 C ATOM 0 H LEU A 185 17.887 11.120 8.162 1.00 22.77 H new ATOM 0 HA LEU A 185 20.133 9.994 8.866 1.00 23.60 H new ATOM 0 HB2 LEU A 185 17.612 9.776 10.126 1.00 19.67 H new ATOM 0 HB3 LEU A 185 18.935 9.275 10.784 1.00 19.67 H new ATOM 0 HG LEU A 185 18.353 12.016 10.299 1.00 25.90 H new ATOM 0 HD11 LEU A 185 18.200 12.203 12.615 1.00 25.66 H new ATOM 0 HD12 LEU A 185 17.130 11.161 12.088 1.00 25.66 H new ATOM 0 HD13 LEU A 185 18.467 10.649 12.765 1.00 25.66 H new ATOM 0 HD21 LEU A 185 20.364 12.524 11.322 1.00 20.35 H new ATOM 0 HD22 LEU A 185 20.703 10.982 11.444 1.00 20.35 H new ATOM 0 HD23 LEU A 185 20.621 11.664 10.017 1.00 20.35 H new ATOM 1502 N LYS A 186 17.781 7.991 7.972 1.00 20.72 N ATOM 1503 CA LYS A 186 17.513 6.622 7.470 1.00 24.96 C ATOM 1504 C LYS A 186 18.295 6.311 6.185 1.00 25.66 C ATOM 1505 O LYS A 186 18.881 5.232 6.071 1.00 26.71 O ATOM 1506 CB LYS A 186 16.021 6.405 7.266 1.00 24.87 C ATOM 1507 CG LYS A 186 15.288 6.255 8.593 1.00 26.11 C ATOM 1508 CD LYS A 186 13.970 6.972 8.594 1.00 34.34 C ATOM 1509 CE LYS A 186 12.882 6.190 7.976 1.00 34.19 C ATOM 1510 NZ LYS A 186 11.619 6.885 8.163 1.00 31.13 N ATOM 0 H LYS A 186 17.097 8.512 7.992 1.00 20.72 H new ATOM 0 HA LYS A 186 17.825 6.002 8.148 1.00 24.96 H new ATOM 0 HB2 LYS A 186 15.649 7.153 6.773 1.00 24.87 H new ATOM 0 HB3 LYS A 186 15.880 5.611 6.726 1.00 24.87 H new ATOM 0 HG2 LYS A 186 15.143 5.314 8.776 1.00 26.11 H new ATOM 0 HG3 LYS A 186 15.844 6.601 9.309 1.00 26.11 H new ATOM 0 HD2 LYS A 186 13.727 7.188 9.508 1.00 34.34 H new ATOM 0 HD3 LYS A 186 14.066 7.813 8.120 1.00 34.34 H new ATOM 0 HE2 LYS A 186 13.057 6.066 7.030 1.00 34.19 H new ATOM 0 HE3 LYS A 186 12.838 5.307 8.375 1.00 34.19 H new ATOM 0 HZ1 LYS A 186 11.138 6.466 8.783 1.00 31.13 H new ATOM 0 HZ2 LYS A 186 11.776 7.721 8.425 1.00 31.13 H new ATOM 0 HZ3 LYS A 186 11.169 6.894 7.395 1.00 31.13 H new ATOM 1511 N GLN A 187 18.323 7.258 5.249 1.00 25.37 N ATOM 1512 CA GLN A 187 19.111 7.116 4.007 1.00 27.28 C ATOM 1513 C GLN A 187 20.610 6.922 4.291 1.00 28.32 C ATOM 1514 O GLN A 187 21.284 6.176 3.573 1.00 29.99 O ATOM 1515 CB GLN A 187 18.906 8.312 3.078 1.00 26.77 C ATOM 1516 CG GLN A 187 17.561 8.285 2.331 1.00 35.40 C ATOM 1517 CD GLN A 187 17.265 9.579 1.570 1.00 44.18 C ATOM 1518 OE1 GLN A 187 18.077 10.513 1.542 1.00 51.11 O ATOM 1519 NE2 GLN A 187 16.083 9.644 0.964 1.00 49.43 N ATOM 0 H GLN A 187 17.891 7.999 5.308 1.00 25.37 H new ATOM 0 HA GLN A 187 18.785 6.317 3.564 1.00 27.28 H new ATOM 0 HB2 GLN A 187 18.963 9.129 3.597 1.00 26.77 H new ATOM 0 HB3 GLN A 187 19.627 8.337 2.430 1.00 26.77 H new ATOM 0 HG2 GLN A 187 17.560 7.543 1.707 1.00 35.40 H new ATOM 0 HG3 GLN A 187 16.848 8.121 2.968 1.00 35.40 H new ATOM 0 HE21 GLN A 187 15.542 8.976 1.003 1.00 49.43 H new ATOM 0 HE22 GLN A 187 15.859 10.354 0.533 1.00 49.43 H new ATOM 1520 N ALA A 188 21.123 7.547 5.352 1.00 26.20 N ATOM 1521 CA ALA A 188 22.537 7.366 5.755 1.00 26.33 C ATOM 1522 C ALA A 188 22.784 6.082 6.575 1.00 27.67 C ATOM 1523 O ALA A 188 23.918 5.813 7.004 1.00 30.02 O ATOM 1524 CB ALA A 188 23.032 8.602 6.540 1.00 25.64 C ATOM 0 H ALA A 188 20.676 8.081 5.856 1.00 26.20 H new ATOM 0 HA ALA A 188 23.045 7.270 4.934 1.00 26.33 H new ATOM 0 HB1 ALA A 188 23.958 8.472 6.798 1.00 25.64 H new ATOM 0 HB2 ALA A 188 22.961 9.391 5.980 1.00 25.64 H new ATOM 0 HB3 ALA A 188 22.489 8.720 7.335 1.00 25.64 H new ATOM 1525 N GLY A 189 21.728 5.317 6.840 1.00 27.23 N ATOM 1526 CA GLY A 189 21.866 3.998 7.454 1.00 26.84 C ATOM 1527 C GLY A 189 21.728 3.969 8.955 1.00 27.24 C ATOM 1528 O GLY A 189 22.155 3.013 9.586 1.00 27.20 O ATOM 0 H GLY A 189 20.916 5.545 6.670 1.00 27.23 H new ATOM 0 HA2 GLY A 189 21.198 3.408 7.071 1.00 26.84 H new ATOM 0 HA3 GLY A 189 22.734 3.636 7.217 1.00 26.84 H new ATOM 1529 N PHE A 190 21.137 5.016 9.543 1.00 26.10 N ATOM 1530 CA PHE A 190 20.816 5.020 10.965 1.00 23.81 C ATOM 1531 C PHE A 190 19.392 4.526 11.144 1.00 23.37 C ATOM 1532 O PHE A 190 18.585 4.706 10.259 1.00 27.37 O ATOM 1533 CB PHE A 190 21.015 6.433 11.559 1.00 23.44 C ATOM 1534 CG PHE A 190 22.432 6.853 11.525 1.00 23.25 C ATOM 1535 CD1 PHE A 190 23.321 6.376 12.473 1.00 23.56 C ATOM 1536 CD2 PHE A 190 22.911 7.627 10.487 1.00 22.88 C ATOM 1537 CE1 PHE A 190 24.655 6.707 12.408 1.00 27.22 C ATOM 1538 CE2 PHE A 190 24.253 7.956 10.413 1.00 24.79 C ATOM 1539 CZ PHE A 190 25.121 7.497 11.376 1.00 23.68 C ATOM 0 H PHE A 190 20.915 5.736 9.128 1.00 26.10 H new ATOM 0 HA PHE A 190 21.414 4.426 11.445 1.00 23.81 H new ATOM 0 HB2 PHE A 190 20.478 7.070 11.063 1.00 23.44 H new ATOM 0 HB3 PHE A 190 20.697 6.446 12.475 1.00 23.44 H new ATOM 0 HD1 PHE A 190 23.014 5.828 13.159 1.00 23.56 H new ATOM 0 HD2 PHE A 190 22.326 7.930 9.831 1.00 22.88 H new ATOM 0 HE1 PHE A 190 25.243 6.399 13.059 1.00 27.22 H new ATOM 0 HE2 PHE A 190 24.567 8.485 9.715 1.00 24.79 H new ATOM 0 HZ PHE A 190 26.023 7.719 11.332 1.00 23.68 H new ATOM 1540 N VAL A 191 19.129 3.864 12.269 1.00 23.87 N ATOM 1541 CA AVAL A 191 17.780 3.440 12.612 0.50 25.71 C ATOM 1542 CA BVAL A 191 17.807 3.392 12.659 0.50 24.54 C ATOM 1543 C VAL A 191 17.227 4.319 13.732 1.00 25.62 C ATOM 1544 O VAL A 191 17.907 4.638 14.707 1.00 27.38 O ATOM 1545 CB AVAL A 191 17.695 1.920 12.978 0.50 27.49 C ATOM 1546 CB BVAL A 191 17.878 1.938 13.232 0.50 25.73 C ATOM 1547 CG1AVAL A 191 18.623 1.576 14.109 0.50 26.57 C ATOM 1548 CG1BVAL A 191 16.483 1.436 13.603 0.50 25.83 C ATOM 1549 CG2AVAL A 191 16.258 1.514 13.310 0.50 27.30 C ATOM 1550 CG2BVAL A 191 18.557 0.978 12.226 0.50 16.14 C ATOM 0 H AVAL A 191 19.726 3.650 12.850 0.50 23.87 H new ATOM 0 H BVAL A 191 19.738 3.672 12.845 0.50 23.87 H new ATOM 0 HA AVAL A 191 17.228 3.552 11.822 0.50 24.54 H new ATOM 0 HA BVAL A 191 17.241 3.392 11.871 0.50 24.54 H new ATOM 0 HB AVAL A 191 17.978 1.416 12.199 0.50 25.73 H new ATOM 0 HB BVAL A 191 18.419 1.958 14.037 0.50 25.73 H new ATOM 0 HG11AVAL A 191 18.549 0.631 14.313 0.50 25.83 H new ATOM 0 HG11BVAL A 191 16.546 0.535 13.956 0.50 25.83 H new ATOM 0 HG12AVAL A 191 19.536 1.780 13.852 0.50 25.83 H new ATOM 0 HG12BVAL A 191 16.097 2.019 14.275 0.50 25.83 H new ATOM 0 HG13AVAL A 191 18.384 2.095 14.893 0.50 25.83 H new ATOM 0 HG13BVAL A 191 15.919 1.435 12.814 0.50 25.83 H new ATOM 0 HG21AVAL A 191 16.231 0.570 13.533 0.50 16.14 H new ATOM 0 HG21BVAL A 191 18.590 0.085 12.602 0.50 16.14 H new ATOM 0 HG22AVAL A 191 15.941 2.033 14.066 0.50 16.14 H new ATOM 0 HG22BVAL A 191 18.049 0.962 11.400 0.50 16.14 H new ATOM 0 HG23AVAL A 191 15.689 1.681 12.542 0.50 16.14 H new ATOM 0 HG23BVAL A 191 19.459 1.285 12.044 0.50 16.14 H new ATOM 1551 N LEU A 192 15.971 4.710 13.564 1.00 25.47 N ATOM 1552 CA LEU A 192 15.289 5.587 14.480 1.00 24.29 C ATOM 1553 C LEU A 192 14.417 4.823 15.436 1.00 25.83 C ATOM 1554 O LEU A 192 13.921 3.744 15.086 1.00 27.66 O ATOM 1555 CB LEU A 192 14.392 6.531 13.667 1.00 22.24 C ATOM 1556 CG LEU A 192 15.153 7.341 12.611 1.00 24.13 C ATOM 1557 CD1 LEU A 192 14.243 8.335 11.928 1.00 27.95 C ATOM 1558 CD2 LEU A 192 16.345 8.086 13.235 1.00 21.86 C ATOM 0 H LEU A 192 15.487 4.463 12.897 1.00 25.47 H new ATOM 0 HA LEU A 192 15.956 6.072 14.991 1.00 24.29 H new ATOM 0 HB2 LEU A 192 13.701 6.011 13.229 1.00 22.24 H new ATOM 0 HB3 LEU A 192 13.945 7.143 14.273 1.00 22.24 H new ATOM 0 HG LEU A 192 15.485 6.711 11.952 1.00 24.13 H new ATOM 0 HD11 LEU A 192 14.747 8.834 11.266 1.00 27.95 H new ATOM 0 HD12 LEU A 192 13.517 7.863 11.492 1.00 27.95 H new ATOM 0 HD13 LEU A 192 13.880 8.948 12.587 1.00 27.95 H new ATOM 0 HD21 LEU A 192 16.808 8.589 12.547 1.00 21.86 H new ATOM 0 HD22 LEU A 192 16.024 8.694 13.920 1.00 21.86 H new ATOM 0 HD23 LEU A 192 16.955 7.445 13.632 1.00 21.86 H new ATOM 1559 N ASN A 193 14.207 5.364 16.632 1.00 23.81 N ATOM 1560 CA AASN A 193 13.190 4.821 17.526 0.60 25.58 C ATOM 1561 CA BASN A 193 13.205 4.849 17.548 0.40 25.18 C ATOM 1562 C ASN A 193 11.838 5.078 16.921 1.00 26.71 C ATOM 1563 O ASN A 193 11.479 6.227 16.636 1.00 23.80 O ATOM 1564 CB AASN A 193 13.200 5.443 18.925 0.60 27.50 C ATOM 1565 CB BASN A 193 13.275 5.570 18.907 0.40 25.79 C ATOM 1566 CG AASN A 193 12.049 4.915 19.806 0.60 30.59 C ATOM 1567 CG BASN A 193 14.408 5.058 19.805 0.40 27.70 C ATOM 1568 OD1AASN A 193 11.720 3.730 19.769 0.60 36.79 O ATOM 1569 OD1BASN A 193 14.559 3.849 20.005 0.40 18.52 O ATOM 1570 ND2AASN A 193 11.429 5.799 20.573 0.60 36.18 N ATOM 1571 ND2BASN A 193 15.188 5.988 20.373 0.40 25.91 N ATOM 0 H AASN A 193 14.638 6.040 16.943 0.60 23.81 H new ATOM 0 H BASN A 193 14.644 6.041 16.933 0.40 23.81 H new ATOM 0 HA AASN A 193 13.385 3.876 17.627 0.60 25.18 H new ATOM 0 HA BASN A 193 13.363 3.905 17.704 0.40 25.18 H new ATOM 0 HB2AASN A 193 14.048 5.253 19.356 0.60 25.79 H new ATOM 0 HB2BASN A 193 13.394 6.521 18.756 0.40 25.79 H new ATOM 0 HB3AASN A 193 13.131 6.408 18.849 0.60 25.79 H new ATOM 0 HB3BASN A 193 12.429 5.460 19.369 0.40 25.79 H new ATOM 0 HD21AASN A 193 10.771 5.552 21.069 0.60 25.91 H new ATOM 0 HD21BASN A 193 15.824 5.751 20.901 0.40 25.91 H new ATOM 0 HD22AASN A 193 11.684 6.620 20.575 0.60 25.91 H new ATOM 0 HD22BASN A 193 15.052 6.821 20.210 0.40 25.91 H new ATOM 1572 N SER A 194 11.071 4.010 16.715 1.00 29.52 N ATOM 1573 CA SER A 194 9.744 4.171 16.137 1.00 32.67 C ATOM 1574 C SER A 194 8.635 3.730 17.083 1.00 35.72 C ATOM 1575 O SER A 194 7.504 3.590 16.661 1.00 36.75 O ATOM 1576 CB SER A 194 9.632 3.481 14.768 1.00 32.48 C ATOM 1577 OG SER A 194 10.098 2.154 14.820 1.00 34.32 O ATOM 0 H SER A 194 11.295 3.200 16.899 1.00 29.52 H new ATOM 0 HA SER A 194 9.621 5.122 15.994 1.00 32.67 H new ATOM 0 HB2 SER A 194 8.707 3.489 14.475 1.00 32.48 H new ATOM 0 HB3 SER A 194 10.143 3.979 14.111 1.00 32.48 H new ATOM 0 HG SER A 194 10.024 1.801 14.061 1.00 34.32 H new ATOM 1578 N SER A 195 8.929 3.576 18.364 1.00 39.60 N ATOM 1579 CA SER A 195 7.874 3.205 19.303 1.00 43.71 C ATOM 1580 C SER A 195 6.711 4.174 19.267 1.00 43.45 C ATOM 1581 O SER A 195 5.694 3.870 18.672 1.00 45.36 O ATOM 1582 CB SER A 195 8.386 3.032 20.730 1.00 44.14 C ATOM 1583 OG SER A 195 8.384 1.653 21.044 1.00 52.36 O ATOM 0 H SER A 195 9.711 3.678 18.707 1.00 39.60 H new ATOM 0 HA SER A 195 7.553 2.340 19.005 1.00 43.71 H new ATOM 0 HB2 SER A 195 9.282 3.395 20.813 1.00 44.14 H new ATOM 0 HB3 SER A 195 7.823 3.520 21.351 1.00 44.14 H new ATOM 0 HG SER A 195 8.666 1.543 21.828 1.00 52.36 H new ATOM 1584 N GLY A 196 6.838 5.345 19.868 1.00 44.76 N ATOM 1585 CA GLY A 196 5.710 6.296 19.821 1.00 45.11 C ATOM 1586 C GLY A 196 5.300 6.820 18.439 1.00 42.99 C ATOM 1587 O GLY A 196 4.588 7.807 18.373 1.00 47.29 O ATOM 0 H GLY A 196 7.535 5.613 20.295 1.00 44.76 H new ATOM 0 HA2 GLY A 196 4.938 5.868 20.223 1.00 45.11 H new ATOM 0 HA3 GLY A 196 5.934 7.058 20.378 1.00 45.11 H new ATOM 1588 N GLY A 197 5.685 6.147 17.345 1.00 39.04 N ATOM 1589 CA GLY A 197 5.803 6.790 16.022 1.00 35.64 C ATOM 1590 C GLY A 197 7.220 7.371 15.887 1.00 32.14 C ATOM 1591 O GLY A 197 7.883 7.618 16.899 1.00 31.17 O ATOM 0 H GLY A 197 5.884 5.310 17.347 1.00 39.04 H new ATOM 0 HA2 GLY A 197 5.635 6.145 15.317 1.00 35.64 H new ATOM 0 HA3 GLY A 197 5.140 7.492 15.928 1.00 35.64 H new ATOM 1592 N GLU A 198 7.706 7.561 14.658 1.00 29.01 N ATOM 1593 CA GLU A 198 9.060 8.090 14.456 1.00 27.36 C ATOM 1594 C GLU A 198 9.162 9.561 14.887 1.00 26.63 C ATOM 1595 O GLU A 198 10.257 10.040 15.153 1.00 22.49 O ATOM 1596 CB GLU A 198 9.473 8.033 12.998 1.00 26.67 C ATOM 1597 CG GLU A 198 9.856 6.702 12.448 1.00 31.47 C ATOM 1598 CD GLU A 198 10.571 6.859 11.106 1.00 37.83 C ATOM 1599 OE1 GLU A 198 10.481 7.950 10.494 1.00 43.11 O ATOM 1600 OE2 GLU A 198 11.257 5.915 10.681 1.00 39.49 O ATOM 0 H GLU A 198 7.274 7.392 13.934 1.00 29.01 H new ATOM 0 HA GLU A 198 9.641 7.533 14.997 1.00 27.36 H new ATOM 0 HB2 GLU A 198 8.740 8.379 12.465 1.00 26.67 H new ATOM 0 HB3 GLU A 198 10.223 8.636 12.875 1.00 26.67 H new ATOM 0 HG2 GLU A 198 10.434 6.241 13.076 1.00 31.47 H new ATOM 0 HG3 GLU A 198 9.064 6.153 12.336 1.00 31.47 H new ATOM 1601 N VAL A 199 8.032 10.277 14.869 1.00 25.71 N ATOM 1602 CA VAL A 199 7.959 11.665 15.332 1.00 25.79 C ATOM 1603 C VAL A 199 6.988 11.701 16.480 1.00 25.54 C ATOM 1604 O VAL A 199 5.874 11.225 16.349 1.00 26.11 O ATOM 1605 CB VAL A 199 7.446 12.658 14.238 1.00 26.28 C ATOM 1606 CG1 VAL A 199 7.306 14.053 14.811 1.00 22.48 C ATOM 1607 CG2 VAL A 199 8.351 12.657 13.012 1.00 23.70 C ATOM 0 H VAL A 199 7.282 9.967 14.585 1.00 25.71 H new ATOM 0 HA VAL A 199 8.855 11.945 15.577 1.00 25.79 H new ATOM 0 HB VAL A 199 6.570 12.357 13.949 1.00 26.28 H new ATOM 0 HG11 VAL A 199 6.987 14.656 14.121 1.00 22.48 H new ATOM 0 HG12 VAL A 199 6.673 14.039 15.546 1.00 22.48 H new ATOM 0 HG13 VAL A 199 8.168 14.358 15.134 1.00 22.48 H new ATOM 0 HG21 VAL A 199 8.006 13.281 12.354 1.00 23.70 H new ATOM 0 HG22 VAL A 199 9.247 12.923 13.271 1.00 23.70 H new ATOM 0 HG23 VAL A 199 8.377 11.766 12.629 1.00 23.70 H new ATOM 1608 N LYS A 200 7.428 12.230 17.614 1.00 25.37 N ATOM 1609 CA LYS A 200 6.578 12.422 18.778 1.00 26.09 C ATOM 1610 C LYS A 200 6.167 13.890 18.814 1.00 27.06 C ATOM 1611 O LYS A 200 7.009 14.785 18.670 1.00 27.37 O ATOM 1612 CB LYS A 200 7.325 12.053 20.069 1.00 26.85 C ATOM 1613 CG LYS A 200 7.434 10.552 20.340 1.00 31.79 C ATOM 1614 CD LYS A 200 8.443 9.838 19.432 1.00 37.01 C ATOM 1615 CE LYS A 200 8.769 8.432 19.987 1.00 42.77 C ATOM 1616 NZ LYS A 200 9.499 7.546 19.021 1.00 39.61 N ATOM 0 H LYS A 200 8.239 12.491 17.730 1.00 25.37 H new ATOM 0 HA LYS A 200 5.799 11.848 18.716 1.00 26.09 H new ATOM 0 HB2 LYS A 200 8.219 12.427 20.029 1.00 26.85 H new ATOM 0 HB3 LYS A 200 6.875 12.473 20.819 1.00 26.85 H new ATOM 0 HG2 LYS A 200 7.690 10.415 21.266 1.00 31.79 H new ATOM 0 HG3 LYS A 200 6.561 10.145 20.224 1.00 31.79 H new ATOM 0 HD2 LYS A 200 8.082 9.762 18.535 1.00 37.01 H new ATOM 0 HD3 LYS A 200 9.256 10.363 19.367 1.00 37.01 H new ATOM 0 HE2 LYS A 200 9.304 8.528 20.790 1.00 42.77 H new ATOM 0 HE3 LYS A 200 7.942 7.998 20.247 1.00 42.77 H new ATOM 0 HZ1 LYS A 200 9.379 6.694 19.250 1.00 39.61 H new ATOM 0 HZ2 LYS A 200 9.184 7.679 18.199 1.00 39.61 H new ATOM 0 HZ3 LYS A 200 10.368 7.738 19.040 1.00 39.61 H new ATOM 1617 N GLY A 201 4.869 14.131 18.965 1.00 26.96 N ATOM 1618 CA GLY A 201 4.322 15.478 18.992 1.00 24.69 C ATOM 1619 C GLY A 201 4.010 15.939 17.591 1.00 26.53 C ATOM 1620 O GLY A 201 3.954 15.137 16.661 1.00 25.86 O ATOM 0 H GLY A 201 4.279 13.512 19.055 1.00 26.96 H new ATOM 0 HA2 GLY A 201 3.517 15.497 19.533 1.00 24.69 H new ATOM 0 HA3 GLY A 201 4.956 16.084 19.406 1.00 24.69 H new ATOM 1621 N SER A 202 3.789 17.240 17.437 1.00 27.18 N ATOM 1622 CA SER A 202 3.193 17.780 16.222 1.00 26.56 C ATOM 1623 C SER A 202 3.329 19.289 16.273 1.00 26.33 C ATOM 1624 O SER A 202 3.599 19.831 17.346 1.00 25.56 O ATOM 1625 CB SER A 202 1.701 17.410 16.132 1.00 28.09 C ATOM 1626 OG SER A 202 0.949 18.014 17.185 1.00 29.32 O ATOM 0 H SER A 202 3.979 17.832 18.031 1.00 27.18 H new ATOM 0 HA SER A 202 3.644 17.411 15.446 1.00 26.56 H new ATOM 0 HB2 SER A 202 1.347 17.695 15.275 1.00 28.09 H new ATOM 0 HB3 SER A 202 1.602 16.446 16.174 1.00 28.09 H new ATOM 0 HG SER A 202 0.141 17.798 17.112 1.00 29.32 H new ATOM 1627 N PRO A 203 3.123 19.976 15.130 1.00 25.59 N ATOM 1628 CA PRO A 203 3.108 21.436 15.182 1.00 25.93 C ATOM 1629 C PRO A 203 2.054 21.980 16.141 1.00 26.65 C ATOM 1630 O PRO A 203 2.257 23.026 16.770 1.00 24.89 O ATOM 1631 CB PRO A 203 2.788 21.840 13.732 1.00 26.99 C ATOM 1632 CG PRO A 203 3.316 20.679 12.908 1.00 28.47 C ATOM 1633 CD PRO A 203 3.032 19.470 13.747 1.00 25.06 C ATOM 0 HA PRO A 203 3.947 21.795 15.512 1.00 25.93 H new ATOM 0 HB2 PRO A 203 1.835 21.966 13.600 1.00 26.99 H new ATOM 0 HB3 PRO A 203 3.221 22.674 13.491 1.00 26.99 H new ATOM 0 HG2 PRO A 203 2.872 20.625 12.047 1.00 28.47 H new ATOM 0 HG3 PRO A 203 4.265 20.773 12.732 1.00 28.47 H new ATOM 0 HD2 PRO A 203 2.154 19.104 13.559 1.00 25.06 H new ATOM 0 HD3 PRO A 203 3.676 18.763 13.583 1.00 25.06 H new ATOM 1634 N GLU A 204 0.946 21.265 16.261 1.00 26.40 N ATOM 1635 CA GLU A 204 -0.162 21.721 17.080 1.00 29.99 C ATOM 1636 C GLU A 204 0.147 21.700 18.576 1.00 31.05 C ATOM 1637 O GLU A 204 -0.495 22.425 19.324 1.00 31.24 O ATOM 1638 CB GLU A 204 -1.400 20.879 16.806 1.00 32.93 C ATOM 1639 CG GLU A 204 -1.983 21.046 15.389 1.00 39.21 C ATOM 1640 CD GLU A 204 -1.093 20.471 14.277 1.00 41.65 C ATOM 1641 OE1 GLU A 204 -0.551 19.363 14.452 1.00 39.46 O ATOM 1642 OE2 GLU A 204 -0.941 21.130 13.221 1.00 49.72 O ATOM 0 H GLU A 204 0.816 20.508 15.873 1.00 26.40 H new ATOM 0 HA GLU A 204 -0.322 22.645 16.834 1.00 29.99 H new ATOM 0 HB2 GLU A 204 -1.180 19.945 16.945 1.00 32.93 H new ATOM 0 HB3 GLU A 204 -2.084 21.109 17.454 1.00 32.93 H new ATOM 0 HG2 GLU A 204 -2.850 20.613 15.353 1.00 39.21 H new ATOM 0 HG3 GLU A 204 -2.129 21.990 15.218 1.00 39.21 H new ATOM 1643 N VAL A 205 1.098 20.866 19.012 1.00 27.22 N ATOM 1644 CA VAL A 205 1.535 20.854 20.411 1.00 26.23 C ATOM 1645 C VAL A 205 2.876 21.556 20.580 1.00 27.87 C ATOM 1646 O VAL A 205 3.506 21.464 21.649 1.00 28.03 O ATOM 1647 CB VAL A 205 1.553 19.410 21.022 1.00 28.22 C ATOM 1648 CG1 VAL A 205 0.117 18.813 20.992 1.00 23.92 C ATOM 1649 CG2 VAL A 205 2.540 18.476 20.310 1.00 24.66 C ATOM 0 H VAL A 205 1.503 20.298 18.510 1.00 27.22 H new ATOM 0 HA VAL A 205 0.875 21.356 20.915 1.00 26.23 H new ATOM 0 HB VAL A 205 1.859 19.485 21.939 1.00 28.22 H new ATOM 0 HG11 VAL A 205 0.130 17.920 21.370 1.00 23.92 H new ATOM 0 HG12 VAL A 205 -0.478 19.375 21.512 1.00 23.92 H new ATOM 0 HG13 VAL A 205 -0.197 18.771 20.075 1.00 23.92 H new ATOM 0 HG21 VAL A 205 2.513 17.599 20.724 1.00 24.66 H new ATOM 0 HG22 VAL A 205 2.295 18.399 19.375 1.00 24.66 H new ATOM 0 HG23 VAL A 205 3.437 18.838 20.380 1.00 24.66 H new ATOM 1650 N LEU A 206 3.294 22.250 19.515 1.00 25.76 N ATOM 1651 CA LEU A 206 4.419 23.197 19.518 1.00 26.28 C ATOM 1652 C LEU A 206 5.821 22.563 19.681 1.00 22.01 C ATOM 1653 O LEU A 206 6.814 23.270 19.896 1.00 21.20 O ATOM 1654 CB LEU A 206 4.213 24.281 20.570 1.00 26.79 C ATOM 1655 CG LEU A 206 2.892 25.031 20.513 1.00 27.21 C ATOM 1656 CD1 LEU A 206 2.859 26.011 21.671 1.00 22.69 C ATOM 1657 CD2 LEU A 206 2.681 25.744 19.180 1.00 24.16 C ATOM 0 H LEU A 206 2.918 22.180 18.745 1.00 25.76 H new ATOM 0 HA LEU A 206 4.412 23.582 18.628 1.00 26.28 H new ATOM 0 HB2 LEU A 206 4.295 23.874 21.447 1.00 26.79 H new ATOM 0 HB3 LEU A 206 4.933 24.926 20.488 1.00 26.79 H new ATOM 0 HG LEU A 206 2.164 24.395 20.588 1.00 27.21 H new ATOM 0 HD11 LEU A 206 2.023 26.503 21.655 1.00 22.69 H new ATOM 0 HD12 LEU A 206 2.933 25.526 22.508 1.00 22.69 H new ATOM 0 HD13 LEU A 206 3.600 26.632 21.591 1.00 22.69 H new ATOM 0 HD21 LEU A 206 1.828 26.206 19.192 1.00 24.16 H new ATOM 0 HD22 LEU A 206 3.395 26.386 19.040 1.00 24.16 H new ATOM 0 HD23 LEU A 206 2.686 25.093 18.461 1.00 24.16 H new ATOM 1658 N LEU A 207 5.890 21.245 19.550 1.00 22.18 N ATOM 1659 CA LEU A 207 7.129 20.508 19.750 1.00 20.73 C ATOM 1660 C LEU A 207 7.082 19.183 19.004 1.00 21.76 C ATOM 1661 O LEU A 207 6.116 18.428 19.120 1.00 19.21 O ATOM 1662 CB LEU A 207 7.402 20.269 21.252 1.00 20.10 C ATOM 1663 CG LEU A 207 8.661 19.461 21.614 1.00 20.31 C ATOM 1664 CD1 LEU A 207 9.883 20.211 21.143 1.00 18.39 C ATOM 1665 CD2 LEU A 207 8.773 19.186 23.138 1.00 21.45 C ATOM 0 H LEU A 207 5.217 20.751 19.342 1.00 22.18 H new ATOM 0 HA LEU A 207 7.856 21.043 19.395 1.00 20.73 H new ATOM 0 HB2 LEU A 207 7.463 21.133 21.688 1.00 20.10 H new ATOM 0 HB3 LEU A 207 6.633 19.814 21.629 1.00 20.10 H new ATOM 0 HG LEU A 207 8.596 18.600 21.172 1.00 20.31 H new ATOM 0 HD11 LEU A 207 10.680 19.706 21.369 1.00 18.39 H new ATOM 0 HD12 LEU A 207 9.838 20.331 20.182 1.00 18.39 H new ATOM 0 HD13 LEU A 207 9.917 21.078 21.576 1.00 18.39 H new ATOM 0 HD21 LEU A 207 9.579 18.676 23.317 1.00 21.45 H new ATOM 0 HD22 LEU A 207 8.811 20.029 23.617 1.00 21.45 H new ATOM 0 HD23 LEU A 207 7.999 18.681 23.434 1.00 21.45 H new ATOM 1666 N GLU A 208 8.132 18.903 18.237 1.00 20.10 N ATOM 1667 CA GLU A 208 8.283 17.605 17.583 1.00 19.17 C ATOM 1668 C GLU A 208 9.641 17.060 17.915 1.00 20.04 C ATOM 1669 O GLU A 208 10.611 17.797 17.841 1.00 21.11 O ATOM 1670 CB GLU A 208 8.165 17.721 16.070 1.00 17.05 C ATOM 1671 CG GLU A 208 6.783 18.062 15.556 1.00 19.61 C ATOM 1672 CD GLU A 208 6.798 18.467 14.077 1.00 19.96 C ATOM 1673 OE1 GLU A 208 7.634 19.292 13.663 1.00 24.83 O ATOM 1674 OE2 GLU A 208 5.970 17.945 13.317 1.00 26.04 O ATOM 0 H GLU A 208 8.773 19.455 18.081 1.00 20.10 H new ATOM 0 HA GLU A 208 7.578 17.019 17.900 1.00 19.17 H new ATOM 0 HB2 GLU A 208 8.786 18.400 15.763 1.00 17.05 H new ATOM 0 HB3 GLU A 208 8.444 16.881 15.673 1.00 17.05 H new ATOM 0 HG2 GLU A 208 6.198 17.297 15.674 1.00 19.61 H new ATOM 0 HG3 GLU A 208 6.413 18.787 16.084 1.00 19.61 H new ATOM 1675 N GLN A 209 9.725 15.773 18.257 1.00 19.35 N ATOM 1676 CA GLN A 209 11.003 15.152 18.585 1.00 21.91 C ATOM 1677 C GLN A 209 11.116 13.790 17.934 1.00 21.94 C ATOM 1678 O GLN A 209 10.110 13.128 17.672 1.00 23.74 O ATOM 1679 CB GLN A 209 11.198 15.031 20.107 1.00 23.41 C ATOM 1680 CG GLN A 209 11.312 16.363 20.843 1.00 29.16 C ATOM 1681 CD GLN A 209 11.544 16.212 22.348 1.00 32.08 C ATOM 1682 OE1 GLN A 209 10.655 15.805 23.078 1.00 37.39 O ATOM 1683 NE2 GLN A 209 12.736 16.548 22.804 1.00 24.88 N ATOM 0 H GLN A 209 9.049 15.243 18.304 1.00 19.35 H new ATOM 0 HA GLN A 209 11.704 15.726 18.238 1.00 21.91 H new ATOM 0 HB2 GLN A 209 10.453 14.533 20.478 1.00 23.41 H new ATOM 0 HB3 GLN A 209 11.999 14.511 20.278 1.00 23.41 H new ATOM 0 HG2 GLN A 209 12.042 16.874 20.460 1.00 29.16 H new ATOM 0 HG3 GLN A 209 10.501 16.875 20.698 1.00 29.16 H new ATOM 0 HE21 GLN A 209 13.340 16.831 22.261 1.00 24.88 H new ATOM 0 HE22 GLN A 209 12.909 16.484 23.644 1.00 24.88 H new ATOM 1684 N SER A 210 12.351 13.404 17.642 1.00 23.07 N ATOM 1685 CA SER A 210 12.658 12.081 17.130 1.00 22.97 C ATOM 1686 C SER A 210 14.015 11.710 17.698 1.00 21.80 C ATOM 1687 O SER A 210 14.691 12.572 18.271 1.00 21.75 O ATOM 1688 CB SER A 210 12.700 12.117 15.596 1.00 21.11 C ATOM 1689 OG SER A 210 13.802 12.887 15.166 1.00 20.76 O ATOM 0 H SER A 210 13.040 13.910 17.737 1.00 23.07 H new ATOM 0 HA SER A 210 11.987 11.429 17.387 1.00 22.97 H new ATOM 0 HB2 SER A 210 12.768 11.215 15.245 1.00 21.11 H new ATOM 0 HB3 SER A 210 11.876 12.495 15.250 1.00 21.11 H new ATOM 0 HG SER A 210 13.953 12.732 14.354 1.00 20.76 H new ATOM 1690 N SER A 211 14.378 10.432 17.615 1.00 20.55 N ATOM 1691 CA SER A 211 15.660 9.959 18.125 1.00 20.87 C ATOM 1692 C SER A 211 16.154 8.723 17.414 1.00 20.56 C ATOM 1693 O SER A 211 15.385 7.937 16.881 1.00 22.44 O ATOM 1694 CB SER A 211 15.612 9.663 19.647 1.00 20.40 C ATOM 1695 OG SER A 211 14.539 8.793 20.003 1.00 21.20 O ATOM 0 H SER A 211 13.890 9.818 17.263 1.00 20.55 H new ATOM 0 HA SER A 211 16.278 10.687 17.955 1.00 20.87 H new ATOM 0 HB2 SER A 211 16.452 9.264 19.922 1.00 20.40 H new ATOM 0 HB3 SER A 211 15.522 10.498 20.133 1.00 20.40 H new ATOM 0 HG SER A 211 14.292 8.959 20.788 1.00 21.20 H new ATOM 1696 N THR A 212 17.468 8.549 17.449 1.00 21.55 N ATOM 1697 CA THR A 212 18.080 7.304 17.076 1.00 22.04 C ATOM 1698 C THR A 212 17.708 6.248 18.094 1.00 20.80 C ATOM 1699 O THR A 212 17.272 6.538 19.200 1.00 19.71 O ATOM 1700 CB THR A 212 19.612 7.431 17.063 1.00 22.41 C ATOM 1701 OG1 THR A 212 20.067 7.824 18.361 1.00 25.15 O ATOM 1702 CG2 THR A 212 20.047 8.447 16.050 1.00 21.65 C ATOM 0 H THR A 212 18.025 9.158 17.692 1.00 21.55 H new ATOM 0 HA THR A 212 17.768 7.063 16.190 1.00 22.04 H new ATOM 0 HB THR A 212 19.995 6.572 16.826 1.00 22.41 H new ATOM 0 HG1 THR A 212 20.721 7.347 18.585 1.00 25.15 H new ATOM 0 HG21 THR A 212 21.015 8.515 16.054 1.00 21.65 H new ATOM 0 HG22 THR A 212 19.746 8.175 15.169 1.00 21.65 H new ATOM 0 HG23 THR A 212 19.662 9.309 16.270 1.00 21.65 H new HETATM 1703 N MSE A 213 17.863 4.992 17.710 1.00 22.88 N HETATM 1704 CA MSE A 213 17.875 3.932 18.697 1.00 22.07 C HETATM 1705 C MSE A 213 19.169 4.012 19.469 1.00 20.47 C HETATM 1706 O MSE A 213 20.192 4.379 18.904 1.00 21.78 O HETATM 1707 CB MSE A 213 17.761 2.612 17.992 1.00 25.21 C HETATM 1708 CG MSE A 213 16.301 2.255 17.713 1.00 29.73 C HETATM 1709 SE MSE A 213 16.382 0.383 17.829 0.75 46.98 SE HETATM 1710 CE MSE A 213 17.009 0.180 16.170 1.00 14.82 C HETATM 0 H MSE A 213 17.961 4.736 16.895 1.00 22.88 H new HETATM 0 HA MSE A 213 17.131 4.023 19.312 1.00 22.07 H new HETATM 0 HB2 MSE A 213 18.253 2.646 17.157 1.00 25.21 H new HETATM 0 HB3 MSE A 213 18.168 1.918 18.533 1.00 25.21 H new HETATM 0 HG2 MSE A 213 15.695 2.640 18.366 1.00 29.73 H new HETATM 0 HG3 MSE A 213 16.007 2.559 16.840 1.00 29.73 H new HETATM 0 HE1 MSE A 213 17.139 -0.763 15.986 1.00 14.82 H new HETATM 0 HE2 MSE A 213 16.373 0.547 15.536 1.00 14.82 H new HETATM 0 HE3 MSE A 213 17.856 0.646 16.085 1.00 14.82 H new ATOM 1711 N ALA A 214 19.112 3.709 20.761 1.00 19.71 N ATOM 1712 CA ALA A 214 20.293 3.806 21.621 1.00 18.81 C ATOM 1713 C ALA A 214 21.428 2.926 21.135 1.00 18.62 C ATOM 1714 O ALA A 214 21.222 1.823 20.600 1.00 18.78 O ATOM 1715 CB ALA A 214 19.929 3.492 23.098 1.00 18.72 C ATOM 0 H ALA A 214 18.399 3.444 21.163 1.00 19.71 H new ATOM 0 HA ALA A 214 20.609 4.722 21.575 1.00 18.81 H new ATOM 0 HB1 ALA A 214 20.724 3.562 23.649 1.00 18.72 H new ATOM 0 HB2 ALA A 214 19.264 4.126 23.409 1.00 18.72 H new ATOM 0 HB3 ALA A 214 19.572 2.592 23.159 1.00 18.72 H new ATOM 1716 N ASP A 215 22.646 3.427 21.264 1.00 18.66 N ATOM 1717 CA ASP A 215 23.804 2.600 21.052 1.00 20.24 C ATOM 1718 C ASP A 215 23.942 1.624 22.242 1.00 19.50 C ATOM 1719 O ASP A 215 23.102 1.623 23.143 1.00 16.91 O ATOM 1720 CB ASP A 215 25.058 3.468 20.891 1.00 19.10 C ATOM 1721 CG ASP A 215 25.080 4.229 19.562 1.00 24.82 C ATOM 1722 OD1 ASP A 215 24.798 3.624 18.512 1.00 22.95 O ATOM 1723 OD2 ASP A 215 25.401 5.424 19.570 1.00 22.75 O ATOM 0 H ASP A 215 22.817 4.243 21.474 1.00 18.66 H new ATOM 0 HA ASP A 215 23.701 2.088 20.235 1.00 20.24 H new ATOM 0 HB2 ASP A 215 25.105 4.102 21.624 1.00 19.10 H new ATOM 0 HB3 ASP A 215 25.846 2.906 20.951 1.00 19.10 H new ATOM 1724 N LYS A 216 25.016 0.844 22.251 1.00 20.11 N ATOM 1725 CA LYS A 216 25.207 -0.178 23.286 1.00 19.99 C ATOM 1726 C LYS A 216 26.549 0.054 23.929 1.00 20.84 C ATOM 1727 O LYS A 216 27.487 0.454 23.234 1.00 21.60 O ATOM 1728 CB LYS A 216 25.165 -1.581 22.661 1.00 17.65 C ATOM 1729 CG LYS A 216 23.796 -1.945 22.064 1.00 20.74 C ATOM 1730 CD LYS A 216 23.782 -3.351 21.407 1.00 25.47 C ATOM 1731 CE LYS A 216 24.493 -3.369 20.063 1.00 31.05 C ATOM 1732 NZ LYS A 216 24.099 -4.510 19.176 1.00 24.18 N ATOM 0 H LYS A 216 25.648 0.887 21.669 1.00 20.11 H new ATOM 0 HA LYS A 216 24.500 -0.118 23.947 1.00 19.99 H new ATOM 0 HB2 LYS A 216 25.839 -1.638 21.965 1.00 17.65 H new ATOM 0 HB3 LYS A 216 25.400 -2.236 23.337 1.00 17.65 H new ATOM 0 HG2 LYS A 216 23.124 -1.912 22.763 1.00 20.74 H new ATOM 0 HG3 LYS A 216 23.549 -1.280 21.402 1.00 20.74 H new ATOM 0 HD2 LYS A 216 24.206 -3.988 22.003 1.00 25.47 H new ATOM 0 HD3 LYS A 216 22.864 -3.641 21.288 1.00 25.47 H new ATOM 0 HE2 LYS A 216 24.311 -2.536 19.601 1.00 31.05 H new ATOM 0 HE3 LYS A 216 25.450 -3.406 20.215 1.00 31.05 H new ATOM 0 HZ1 LYS A 216 24.282 -4.305 18.329 1.00 24.18 H new ATOM 0 HZ2 LYS A 216 24.554 -5.239 19.409 1.00 24.18 H new ATOM 0 HZ3 LYS A 216 23.227 -4.665 19.261 1.00 24.18 H new ATOM 1733 N VAL A 217 26.660 -0.223 25.228 1.00 18.23 N ATOM 1734 CA VAL A 217 27.962 -0.200 25.908 1.00 19.88 C ATOM 1735 C VAL A 217 28.059 -1.350 26.865 1.00 17.61 C ATOM 1736 O VAL A 217 27.047 -1.900 27.268 1.00 17.68 O ATOM 1737 CB VAL A 217 28.207 1.086 26.717 1.00 20.91 C ATOM 1738 CG1 VAL A 217 28.386 2.265 25.792 1.00 26.11 C ATOM 1739 CG2 VAL A 217 27.076 1.324 27.743 1.00 17.45 C ATOM 0 H VAL A 217 25.996 -0.427 25.735 1.00 18.23 H new ATOM 0 HA VAL A 217 28.627 -0.253 25.204 1.00 19.88 H new ATOM 0 HB VAL A 217 29.028 0.980 27.222 1.00 20.91 H new ATOM 0 HG11 VAL A 217 28.539 3.067 26.316 1.00 26.11 H new ATOM 0 HG12 VAL A 217 29.147 2.108 25.211 1.00 26.11 H new ATOM 0 HG13 VAL A 217 27.587 2.379 25.254 1.00 26.11 H new ATOM 0 HG21 VAL A 217 27.254 2.139 28.238 1.00 17.45 H new ATOM 0 HG22 VAL A 217 26.229 1.408 27.278 1.00 17.45 H new ATOM 0 HG23 VAL A 217 27.034 0.575 28.358 1.00 17.45 H new ATOM 1740 N VAL A 218 29.281 -1.698 27.245 1.00 18.17 N ATOM 1741 CA VAL A 218 29.536 -2.740 28.237 1.00 15.78 C ATOM 1742 C VAL A 218 29.666 -2.055 29.601 1.00 17.65 C ATOM 1743 O VAL A 218 30.391 -1.082 29.750 1.00 19.36 O ATOM 1744 CB VAL A 218 30.838 -3.556 27.908 1.00 17.66 C ATOM 1745 CG1 VAL A 218 31.092 -4.579 28.980 1.00 15.90 C ATOM 1746 CG2 VAL A 218 30.750 -4.223 26.550 1.00 20.98 C ATOM 0 H VAL A 218 29.995 -1.334 26.933 1.00 18.17 H new ATOM 0 HA VAL A 218 28.803 -3.376 28.235 1.00 15.78 H new ATOM 0 HB VAL A 218 31.581 -2.933 27.881 1.00 17.66 H new ATOM 0 HG11 VAL A 218 31.897 -5.077 28.768 1.00 15.90 H new ATOM 0 HG12 VAL A 218 31.204 -4.132 29.834 1.00 15.90 H new ATOM 0 HG13 VAL A 218 30.339 -5.189 29.031 1.00 15.90 H new ATOM 0 HG21 VAL A 218 31.567 -4.717 26.378 1.00 20.98 H new ATOM 0 HG22 VAL A 218 29.995 -4.832 26.537 1.00 20.98 H new ATOM 0 HG23 VAL A 218 30.631 -3.547 25.864 1.00 20.98 H new ATOM 1747 N VAL A 219 28.904 -2.524 30.582 1.00 17.33 N ATOM 1748 CA VAL A 219 29.035 -2.060 31.947 1.00 16.05 C ATOM 1749 C VAL A 219 29.732 -3.134 32.769 1.00 15.96 C ATOM 1750 O VAL A 219 29.381 -4.327 32.704 1.00 16.53 O ATOM 1751 CB VAL A 219 27.625 -1.704 32.507 1.00 15.25 C ATOM 1752 CG1 VAL A 219 27.645 -1.551 34.043 1.00 19.27 C ATOM 1753 CG2 VAL A 219 27.184 -0.438 31.817 1.00 15.11 C ATOM 0 H VAL A 219 28.296 -3.122 30.470 1.00 17.33 H new ATOM 0 HA VAL A 219 29.576 -1.256 31.991 1.00 16.05 H new ATOM 0 HB VAL A 219 26.995 -2.420 32.328 1.00 15.25 H new ATOM 0 HG11 VAL A 219 26.755 -1.330 34.358 1.00 19.27 H new ATOM 0 HG12 VAL A 219 27.933 -2.384 34.448 1.00 19.27 H new ATOM 0 HG13 VAL A 219 28.260 -0.842 34.290 1.00 19.27 H new ATOM 0 HG21 VAL A 219 26.306 -0.182 32.140 1.00 15.11 H new ATOM 0 HG22 VAL A 219 27.817 0.272 32.007 1.00 15.11 H new ATOM 0 HG23 VAL A 219 27.145 -0.588 30.859 1.00 15.11 H new ATOM 1754 N ASN A 220 30.733 -2.713 33.528 1.00 18.25 N ATOM 1755 CA ASN A 220 31.533 -3.622 34.333 1.00 21.11 C ATOM 1756 C ASN A 220 30.988 -3.716 35.747 1.00 23.10 C ATOM 1757 O ASN A 220 31.410 -3.028 36.658 1.00 26.71 O ATOM 1758 CB ASN A 220 33.005 -3.224 34.295 1.00 22.08 C ATOM 1759 CG ASN A 220 33.544 -3.133 32.876 1.00 21.47 C ATOM 1760 OD1 ASN A 220 33.883 -2.057 32.405 1.00 20.69 O ATOM 1761 ND2 ASN A 220 33.542 -4.248 32.163 1.00 19.74 N ATOM 0 H ASN A 220 30.968 -1.888 33.591 1.00 18.25 H new ATOM 0 HA ASN A 220 31.473 -4.512 33.952 1.00 21.11 H new ATOM 0 HB2 ASN A 220 33.117 -2.368 34.737 1.00 22.08 H new ATOM 0 HB3 ASN A 220 33.526 -3.872 34.795 1.00 22.08 H new ATOM 0 HD21 ASN A 220 33.785 -4.231 31.338 1.00 19.74 H new ATOM 0 HD22 ASN A 220 33.298 -4.989 32.524 1.00 19.74 H new ATOM 1762 N PHE A 221 29.992 -4.564 35.901 1.00 21.95 N ATOM 1763 CA PHE A 221 29.425 -4.860 37.197 1.00 21.66 C ATOM 1764 C PHE A 221 30.470 -5.622 38.005 1.00 20.82 C ATOM 1765 O PHE A 221 31.445 -6.186 37.454 1.00 21.55 O ATOM 1766 CB PHE A 221 28.111 -5.651 37.069 1.00 18.55 C ATOM 1767 CG PHE A 221 26.974 -4.855 36.461 1.00 23.11 C ATOM 1768 CD1 PHE A 221 26.343 -3.859 37.181 1.00 23.17 C ATOM 1769 CD2 PHE A 221 26.535 -5.102 35.171 1.00 20.87 C ATOM 1770 CE1 PHE A 221 25.332 -3.103 36.623 1.00 24.35 C ATOM 1771 CE2 PHE A 221 25.519 -4.372 34.616 1.00 20.75 C ATOM 1772 CZ PHE A 221 24.912 -3.344 35.346 1.00 22.90 C ATOM 0 H PHE A 221 29.622 -4.988 35.250 1.00 21.95 H new ATOM 0 HA PHE A 221 29.197 -4.036 37.655 1.00 21.66 H new ATOM 0 HB2 PHE A 221 28.269 -6.439 36.526 1.00 18.55 H new ATOM 0 HB3 PHE A 221 27.843 -5.961 37.948 1.00 18.55 H new ATOM 0 HD1 PHE A 221 26.604 -3.695 38.058 1.00 23.17 H new ATOM 0 HD2 PHE A 221 26.938 -5.776 34.673 1.00 20.87 H new ATOM 0 HE1 PHE A 221 24.934 -2.425 37.120 1.00 24.35 H new ATOM 0 HE2 PHE A 221 25.231 -4.560 33.752 1.00 20.75 H new ATOM 0 HZ PHE A 221 24.233 -2.833 34.968 1.00 22.90 H new ATOM 1773 N THR A 222 30.284 -5.633 39.319 1.00 22.54 N ATOM 1774 CA THR A 222 31.185 -6.369 40.189 1.00 20.99 C ATOM 1775 C THR A 222 31.233 -7.850 39.832 1.00 21.94 C ATOM 1776 O THR A 222 32.285 -8.443 39.887 1.00 21.90 O ATOM 1777 CB THR A 222 30.853 -6.148 41.704 1.00 22.90 C ATOM 1778 OG1 THR A 222 29.510 -6.545 41.988 1.00 25.31 O ATOM 1779 CG2 THR A 222 30.992 -4.675 42.037 1.00 24.16 C ATOM 0 H THR A 222 29.645 -5.223 39.723 1.00 22.54 H new ATOM 0 HA THR A 222 32.074 -6.009 40.040 1.00 20.99 H new ATOM 0 HB THR A 222 31.467 -6.681 42.233 1.00 22.90 H new ATOM 0 HG1 THR A 222 29.499 -7.023 42.679 1.00 25.31 H new ATOM 0 HG21 THR A 222 30.787 -4.534 42.975 1.00 24.16 H new ATOM 0 HG22 THR A 222 31.901 -4.387 41.858 1.00 24.16 H new ATOM 0 HG23 THR A 222 30.377 -4.160 41.491 1.00 24.16 H new ATOM 1780 N ASP A 223 30.118 -8.432 39.401 1.00 19.39 N ATOM 1781 CA ASP A 223 30.102 -9.848 39.085 1.00 19.39 C ATOM 1782 C ASP A 223 29.811 -10.161 37.624 1.00 17.74 C ATOM 1783 O ASP A 223 29.339 -11.239 37.328 1.00 18.86 O ATOM 1784 CB ASP A 223 29.092 -10.581 40.004 1.00 20.19 C ATOM 1785 CG ASP A 223 27.713 -9.947 40.014 1.00 18.77 C ATOM 1786 OD1 ASP A 223 27.483 -8.925 39.339 1.00 18.16 O ATOM 1787 OD2 ASP A 223 26.857 -10.421 40.798 1.00 20.73 O ATOM 0 H ASP A 223 29.369 -8.026 39.287 1.00 19.39 H new ATOM 0 HA ASP A 223 31.003 -10.170 39.246 1.00 19.39 H new ATOM 0 HB2 ASP A 223 29.014 -11.504 39.716 1.00 20.19 H new ATOM 0 HB3 ASP A 223 29.440 -10.595 40.909 1.00 20.19 H new ATOM 1788 N GLY A 224 30.095 -9.241 36.703 1.00 18.98 N ATOM 1789 CA GLY A 224 29.833 -9.483 35.283 1.00 17.87 C ATOM 1790 C GLY A 224 30.024 -8.265 34.400 1.00 16.98 C ATOM 1791 O GLY A 224 30.014 -7.126 34.873 1.00 18.51 O ATOM 0 H GLY A 224 30.439 -8.472 36.878 1.00 18.98 H new ATOM 0 HA2 GLY A 224 30.419 -10.191 34.972 1.00 17.87 H new ATOM 0 HA3 GLY A 224 28.923 -9.804 35.182 1.00 17.87 H new ATOM 1792 N ASP A 225 30.242 -8.541 33.123 1.00 15.99 N ATOM 1793 CA ASP A 225 30.370 -7.549 32.074 1.00 15.69 C ATOM 1794 C ASP A 225 29.144 -7.671 31.178 1.00 16.54 C ATOM 1795 O ASP A 225 28.984 -8.625 30.436 1.00 19.55 O ATOM 1796 CB ASP A 225 31.641 -7.795 31.288 1.00 19.10 C ATOM 1797 CG ASP A 225 32.853 -7.835 32.182 1.00 15.77 C ATOM 1798 OD1 ASP A 225 33.106 -6.816 32.837 1.00 20.16 O ATOM 1799 OD2 ASP A 225 33.491 -8.889 32.251 1.00 22.28 O ATOM 0 H ASP A 225 30.323 -9.347 32.834 1.00 15.99 H new ATOM 0 HA ASP A 225 30.422 -6.654 32.444 1.00 15.69 H new ATOM 0 HB2 ASP A 225 31.566 -8.634 30.807 1.00 19.10 H new ATOM 0 HB3 ASP A 225 31.751 -7.096 30.625 1.00 19.10 H new ATOM 1800 N VAL A 226 28.265 -6.699 31.290 1.00 16.59 N ATOM 1801 CA VAL A 226 26.971 -6.756 30.649 1.00 14.60 C ATOM 1802 C VAL A 226 26.807 -5.664 29.600 1.00 16.15 C ATOM 1803 O VAL A 226 27.064 -4.468 29.850 1.00 15.76 O ATOM 1804 CB VAL A 226 25.865 -6.642 31.689 1.00 17.05 C ATOM 1805 CG1 VAL A 226 24.524 -6.719 30.998 1.00 15.69 C ATOM 1806 CG2 VAL A 226 26.002 -7.749 32.768 1.00 17.06 C ATOM 0 H VAL A 226 28.402 -5.981 31.743 1.00 16.59 H new ATOM 0 HA VAL A 226 26.908 -7.612 30.198 1.00 14.60 H new ATOM 0 HB VAL A 226 25.939 -5.788 32.142 1.00 17.05 H new ATOM 0 HG11 VAL A 226 23.816 -6.647 31.657 1.00 15.69 H new ATOM 0 HG12 VAL A 226 24.447 -5.993 30.360 1.00 15.69 H new ATOM 0 HG13 VAL A 226 24.447 -7.567 30.533 1.00 15.69 H new ATOM 0 HG21 VAL A 226 25.288 -7.657 33.419 1.00 17.06 H new ATOM 0 HG22 VAL A 226 25.944 -8.621 32.347 1.00 17.06 H new ATOM 0 HG23 VAL A 226 26.859 -7.662 33.214 1.00 17.06 H new ATOM 1807 N GLU A 227 26.347 -6.063 28.418 1.00 15.92 N ATOM 1808 CA GLU A 227 25.992 -5.104 27.389 1.00 16.22 C ATOM 1809 C GLU A 227 24.585 -4.524 27.570 1.00 16.59 C ATOM 1810 O GLU A 227 23.603 -5.246 27.651 1.00 16.49 O ATOM 1811 CB GLU A 227 26.152 -5.787 26.033 1.00 17.39 C ATOM 1812 CG GLU A 227 26.281 -4.882 24.890 1.00 23.62 C ATOM 1813 CD GLU A 227 26.697 -5.649 23.642 1.00 33.80 C ATOM 1814 OE1 GLU A 227 27.861 -6.083 23.548 1.00 40.93 O ATOM 1815 OE2 GLU A 227 25.840 -5.864 22.792 1.00 31.57 O ATOM 0 H GLU A 227 26.234 -6.886 28.196 1.00 15.92 H new ATOM 0 HA GLU A 227 26.587 -4.340 27.453 1.00 16.22 H new ATOM 0 HB2 GLU A 227 26.936 -6.358 26.065 1.00 17.39 H new ATOM 0 HB3 GLU A 227 25.386 -6.364 25.885 1.00 17.39 H new ATOM 0 HG2 GLU A 227 25.437 -4.431 24.732 1.00 23.62 H new ATOM 0 HG3 GLU A 227 26.937 -4.195 25.087 1.00 23.62 H new ATOM 1816 N ILE A 228 24.483 -3.205 27.667 1.00 15.19 N ATOM 1817 CA ILE A 228 23.192 -2.558 27.821 1.00 16.87 C ATOM 1818 C ILE A 228 23.073 -1.370 26.855 1.00 18.23 C ATOM 1819 O ILE A 228 24.075 -0.835 26.369 1.00 16.67 O ATOM 1820 CB ILE A 228 22.946 -2.077 29.319 1.00 18.59 C ATOM 1821 CG1 ILE A 228 23.821 -0.869 29.668 1.00 21.85 C ATOM 1822 CG2 ILE A 228 23.135 -3.282 30.329 1.00 12.67 C ATOM 1823 CD1 ILE A 228 23.379 -0.095 30.919 1.00 21.48 C ATOM 0 H ILE A 228 25.153 -2.666 27.646 1.00 15.19 H new ATOM 0 HA ILE A 228 22.509 -3.213 27.607 1.00 16.87 H new ATOM 0 HB ILE A 228 22.027 -1.778 29.401 1.00 18.59 H new ATOM 0 HG12 ILE A 228 24.733 -1.172 29.796 1.00 21.85 H new ATOM 0 HG13 ILE A 228 23.828 -0.261 28.912 1.00 21.85 H new ATOM 0 HG21 ILE A 228 22.982 -2.972 31.235 1.00 12.67 H new ATOM 0 HG22 ILE A 228 22.501 -3.985 30.117 1.00 12.67 H new ATOM 0 HG23 ILE A 228 24.038 -3.628 30.255 1.00 12.67 H new ATOM 0 HD11 ILE A 228 23.982 0.650 31.069 1.00 21.48 H new ATOM 0 HD12 ILE A 228 22.478 0.240 30.791 1.00 21.48 H new ATOM 0 HD13 ILE A 228 23.398 -0.685 31.688 1.00 21.48 H new ATOM 1824 N PRO A 229 21.844 -0.930 26.593 1.00 16.62 N ATOM 1825 CA PRO A 229 21.702 0.331 25.875 1.00 18.64 C ATOM 1826 C PRO A 229 22.324 1.499 26.613 1.00 18.01 C ATOM 1827 O PRO A 229 22.208 1.624 27.852 1.00 17.41 O ATOM 1828 CB PRO A 229 20.179 0.525 25.809 1.00 16.58 C ATOM 1829 CG PRO A 229 19.609 -0.845 26.049 1.00 20.58 C ATOM 1830 CD PRO A 229 20.531 -1.453 27.020 1.00 21.10 C ATOM 0 HA PRO A 229 22.147 0.301 25.013 1.00 18.64 H new ATOM 0 HB2 PRO A 229 19.875 1.156 26.480 1.00 16.58 H new ATOM 0 HB3 PRO A 229 19.905 0.874 24.947 1.00 16.58 H new ATOM 0 HG2 PRO A 229 18.706 -0.797 26.400 1.00 20.58 H new ATOM 0 HG3 PRO A 229 19.568 -1.361 25.228 1.00 20.58 H new ATOM 0 HD2 PRO A 229 20.318 -1.193 27.930 1.00 21.10 H new ATOM 0 HD3 PRO A 229 20.501 -2.422 26.987 1.00 21.10 H new ATOM 1831 N SER A 230 22.970 2.366 25.860 1.00 19.19 N ATOM 1832 CA SER A 230 23.632 3.511 26.468 1.00 20.11 C ATOM 1833 C SER A 230 22.727 4.725 26.261 1.00 20.45 C ATOM 1834 O SER A 230 21.828 4.971 27.068 1.00 17.35 O ATOM 1835 CB SER A 230 25.045 3.686 25.887 1.00 17.85 C ATOM 1836 OG SER A 230 24.997 3.707 24.464 1.00 20.31 O ATOM 0 H SER A 230 23.040 2.316 25.004 1.00 19.19 H new ATOM 0 HA SER A 230 23.763 3.387 27.421 1.00 20.11 H new ATOM 0 HB2 SER A 230 25.436 4.510 26.216 1.00 17.85 H new ATOM 0 HB3 SER A 230 25.616 2.962 26.187 1.00 17.85 H new ATOM 0 HG SER A 230 25.693 4.070 24.165 1.00 20.31 H new ATOM 1837 N CYS A 231 22.936 5.463 25.180 1.00 19.51 N ATOM 1838 CA CYS A 231 22.139 6.676 24.887 1.00 18.40 C ATOM 1839 C CYS A 231 21.688 6.719 23.444 1.00 18.49 C ATOM 1840 O CYS A 231 22.357 6.169 22.556 1.00 18.69 O ATOM 1841 CB CYS A 231 23.003 7.921 25.068 1.00 20.68 C ATOM 1842 SG CYS A 231 23.897 8.042 26.644 1.00 18.96 S ATOM 0 H CYS A 231 23.537 5.286 24.591 1.00 19.51 H new ATOM 0 HA CYS A 231 21.378 6.652 25.489 1.00 18.40 H new ATOM 0 HB2 CYS A 231 23.650 7.953 24.346 1.00 20.68 H new ATOM 0 HB3 CYS A 231 22.437 8.703 24.976 1.00 20.68 H new ATOM 0 HG CYS A 231 24.683 8.947 26.590 1.00 18.96 H new ATOM 1843 N PHE A 232 20.568 7.399 23.213 1.00 18.73 N ATOM 1844 CA PHE A 232 20.202 7.886 21.907 1.00 17.76 C ATOM 1845 C PHE A 232 20.658 9.356 21.702 1.00 20.02 C ATOM 1846 O PHE A 232 21.057 10.030 22.653 1.00 19.82 O ATOM 1847 CB PHE A 232 18.681 7.787 21.690 1.00 15.56 C ATOM 1848 CG PHE A 232 17.849 8.445 22.751 1.00 18.48 C ATOM 1849 CD1 PHE A 232 17.743 9.835 22.809 1.00 22.57 C ATOM 1850 CD2 PHE A 232 17.151 7.689 23.678 1.00 23.45 C ATOM 1851 CE1 PHE A 232 16.976 10.464 23.796 1.00 23.15 C ATOM 1852 CE2 PHE A 232 16.370 8.289 24.649 1.00 21.21 C ATOM 1853 CZ PHE A 232 16.283 9.698 24.706 1.00 31.17 C ATOM 0 H PHE A 232 19.996 7.589 23.827 1.00 18.73 H new ATOM 0 HA PHE A 232 20.654 7.327 21.256 1.00 17.76 H new ATOM 0 HB2 PHE A 232 18.463 8.185 20.833 1.00 15.56 H new ATOM 0 HB3 PHE A 232 18.435 6.850 21.639 1.00 15.56 H new ATOM 0 HD1 PHE A 232 18.191 10.353 22.180 1.00 22.57 H new ATOM 0 HD2 PHE A 232 17.208 6.761 23.647 1.00 23.45 H new ATOM 0 HE1 PHE A 232 16.935 11.392 23.837 1.00 23.15 H new ATOM 0 HE2 PHE A 232 15.904 7.767 25.262 1.00 21.21 H new ATOM 0 HZ PHE A 232 15.759 10.107 25.356 1.00 31.17 H new ATOM 1854 N TYR A 233 20.608 9.783 20.432 1.00 16.34 N ATOM 1855 CA TYR A 233 20.760 11.168 19.982 1.00 17.21 C ATOM 1856 C TYR A 233 19.364 11.598 19.514 1.00 17.57 C ATOM 1857 O TYR A 233 18.699 10.866 18.790 1.00 17.04 O ATOM 1858 CB TYR A 233 21.722 11.160 18.811 1.00 20.78 C ATOM 1859 CG TYR A 233 22.415 12.437 18.372 1.00 21.24 C ATOM 1860 CD1 TYR A 233 22.806 13.440 19.280 1.00 20.40 C ATOM 1861 CD2 TYR A 233 22.764 12.605 17.026 1.00 15.11 C ATOM 1862 CE1 TYR A 233 23.481 14.594 18.832 1.00 18.65 C ATOM 1863 CE2 TYR A 233 23.453 13.732 16.593 1.00 18.37 C ATOM 1864 CZ TYR A 233 23.830 14.709 17.503 1.00 16.43 C ATOM 1865 OH TYR A 233 24.507 15.817 17.048 1.00 14.97 O ATOM 0 H TYR A 233 20.477 9.240 19.778 1.00 16.34 H new ATOM 0 HA TYR A 233 21.098 11.765 20.668 1.00 17.21 H new ATOM 0 HB2 TYR A 233 22.416 10.514 19.016 1.00 20.78 H new ATOM 0 HB3 TYR A 233 21.235 10.820 18.044 1.00 20.78 H new ATOM 0 HD1 TYR A 233 22.617 13.340 20.185 1.00 20.40 H new ATOM 0 HD2 TYR A 233 22.530 11.949 16.409 1.00 15.11 H new ATOM 0 HE1 TYR A 233 23.690 15.275 19.430 1.00 18.65 H new ATOM 0 HE2 TYR A 233 23.662 13.831 15.692 1.00 18.37 H new ATOM 0 HH TYR A 233 24.977 16.133 17.668 1.00 14.97 H new ATOM 1866 N GLU A 234 18.953 12.785 19.926 1.00 15.40 N ATOM 1867 CA GLU A 234 17.605 13.297 19.747 1.00 17.41 C ATOM 1868 C GLU A 234 17.596 14.544 18.838 1.00 17.95 C ATOM 1869 O GLU A 234 18.634 15.173 18.639 1.00 17.49 O ATOM 1870 CB GLU A 234 17.052 13.641 21.112 1.00 17.18 C ATOM 1871 CG GLU A 234 15.540 13.899 21.197 1.00 17.15 C ATOM 1872 CD GLU A 234 15.074 14.018 22.660 1.00 23.20 C ATOM 1873 OE1 GLU A 234 15.312 15.092 23.267 1.00 20.10 O ATOM 1874 OE2 GLU A 234 14.483 13.047 23.211 1.00 19.54 O ATOM 0 H GLU A 234 19.471 13.337 20.334 1.00 15.40 H new ATOM 0 HA GLU A 234 17.056 12.623 19.316 1.00 17.41 H new ATOM 0 HB2 GLU A 234 17.270 12.917 21.719 1.00 17.18 H new ATOM 0 HB3 GLU A 234 17.513 14.431 21.436 1.00 17.18 H new ATOM 0 HG2 GLU A 234 15.321 14.714 20.718 1.00 17.15 H new ATOM 0 HG3 GLU A 234 15.062 13.177 20.761 1.00 17.15 H new ATOM 1875 N PHE A 235 16.415 14.854 18.287 1.00 19.14 N ATOM 1876 CA PHE A 235 16.194 15.960 17.330 1.00 18.02 C ATOM 1877 C PHE A 235 14.911 16.633 17.734 1.00 18.30 C ATOM 1878 O PHE A 235 13.936 15.971 18.017 1.00 20.20 O ATOM 1879 CB PHE A 235 16.145 15.408 15.891 1.00 15.72 C ATOM 1880 CG PHE A 235 17.300 14.486 15.593 1.00 17.37 C ATOM 1881 CD1 PHE A 235 18.489 14.987 15.114 1.00 18.37 C ATOM 1882 CD2 PHE A 235 17.227 13.130 15.885 1.00 21.82 C ATOM 1883 CE1 PHE A 235 19.582 14.144 14.924 1.00 19.46 C ATOM 1884 CE2 PHE A 235 18.327 12.287 15.680 1.00 18.66 C ATOM 1885 CZ PHE A 235 19.492 12.800 15.218 1.00 20.00 C ATOM 0 H PHE A 235 15.697 14.415 18.463 1.00 19.14 H new ATOM 0 HA PHE A 235 16.917 16.607 17.347 1.00 18.02 H new ATOM 0 HB2 PHE A 235 15.311 14.932 15.758 1.00 15.72 H new ATOM 0 HB3 PHE A 235 16.153 16.147 15.263 1.00 15.72 H new ATOM 0 HD1 PHE A 235 18.563 15.893 14.916 1.00 18.37 H new ATOM 0 HD2 PHE A 235 16.436 12.776 16.222 1.00 21.82 H new ATOM 0 HE1 PHE A 235 20.380 14.491 14.596 1.00 19.46 H new ATOM 0 HE2 PHE A 235 18.257 11.377 15.861 1.00 18.66 H new ATOM 0 HZ PHE A 235 20.230 12.247 15.099 1.00 20.00 H new ATOM 1886 N ALA A 236 14.903 17.960 17.809 1.00 16.89 N ATOM 1887 CA ALA A 236 13.697 18.674 18.227 1.00 15.03 C ATOM 1888 C ALA A 236 13.448 19.894 17.343 1.00 14.53 C ATOM 1889 O ALA A 236 14.366 20.673 17.062 1.00 15.32 O ATOM 1890 CB ALA A 236 13.820 19.125 19.719 1.00 14.93 C ATOM 0 H ALA A 236 15.576 18.462 17.625 1.00 16.89 H new ATOM 0 HA ALA A 236 12.946 18.066 18.136 1.00 15.03 H new ATOM 0 HB1 ALA A 236 13.014 19.597 19.982 1.00 14.93 H new ATOM 0 HB2 ALA A 236 13.937 18.345 20.284 1.00 14.93 H new ATOM 0 HB3 ALA A 236 14.585 19.713 19.817 1.00 14.93 H new ATOM 1891 N ARG A 237 12.197 20.047 16.911 1.00 16.35 N ATOM 1892 CA ARG A 237 11.728 21.268 16.322 1.00 17.76 C ATOM 1893 C ARG A 237 10.741 21.933 17.275 1.00 19.11 C ATOM 1894 O ARG A 237 9.758 21.326 17.644 1.00 20.61 O ATOM 1895 CB ARG A 237 11.046 21.007 14.982 1.00 18.43 C ATOM 1896 CG ARG A 237 10.564 22.290 14.297 1.00 20.25 C ATOM 1897 CD ARG A 237 10.168 22.089 12.846 1.00 25.45 C ATOM 1898 NE ARG A 237 9.486 23.283 12.320 1.00 26.23 N ATOM 1899 CZ ARG A 237 8.841 23.350 11.155 1.00 26.86 C ATOM 1900 NH1 ARG A 237 8.756 22.306 10.347 1.00 23.53 N ATOM 1901 NH2 ARG A 237 8.279 24.486 10.789 1.00 23.00 N ATOM 0 H ARG A 237 11.600 19.430 16.958 1.00 16.35 H new ATOM 0 HA ARG A 237 12.489 21.849 16.166 1.00 17.76 H new ATOM 0 HB2 ARG A 237 11.664 20.545 14.394 1.00 18.43 H new ATOM 0 HB3 ARG A 237 10.290 20.416 15.119 1.00 18.43 H new ATOM 0 HG2 ARG A 237 9.805 22.644 14.786 1.00 20.25 H new ATOM 0 HG3 ARG A 237 11.267 22.957 14.344 1.00 20.25 H new ATOM 0 HD2 ARG A 237 10.957 21.901 12.314 1.00 25.45 H new ATOM 0 HD3 ARG A 237 9.584 21.318 12.769 1.00 25.45 H new ATOM 0 HE ARG A 237 9.505 23.994 12.803 1.00 26.23 H new ATOM 0 HH11 ARG A 237 9.122 21.560 10.568 1.00 23.53 H new ATOM 0 HH12 ARG A 237 8.335 22.373 9.600 1.00 23.53 H new ATOM 0 HH21 ARG A 237 8.330 25.176 11.300 1.00 23.00 H new ATOM 0 HH22 ARG A 237 7.861 24.537 10.039 1.00 23.00 H new ATOM 1902 N ARG A 238 10.996 23.194 17.626 1.00 18.76 N ATOM 1903 CA ARG A 238 10.047 23.976 18.402 1.00 17.34 C ATOM 1904 C ARG A 238 9.302 25.007 17.575 1.00 17.75 C ATOM 1905 O ARG A 238 9.838 25.544 16.599 1.00 18.61 O ATOM 1906 CB ARG A 238 10.764 24.690 19.540 1.00 21.50 C ATOM 1907 CG ARG A 238 11.393 23.757 20.540 1.00 19.60 C ATOM 1908 CD ARG A 238 12.240 24.559 21.549 1.00 22.29 C ATOM 1909 NE ARG A 238 12.823 23.602 22.464 1.00 21.90 N ATOM 1910 CZ ARG A 238 12.146 22.954 23.409 1.00 25.76 C ATOM 1911 NH1 ARG A 238 10.851 23.200 23.650 1.00 23.92 N ATOM 1912 NH2 ARG A 238 12.771 22.045 24.109 1.00 30.04 N ATOM 0 H ARG A 238 11.718 23.613 17.421 1.00 18.76 H new ATOM 0 HA ARG A 238 9.394 23.346 18.744 1.00 17.34 H new ATOM 0 HB2 ARG A 238 11.452 25.264 19.168 1.00 21.50 H new ATOM 0 HB3 ARG A 238 10.132 25.265 19.999 1.00 21.50 H new ATOM 0 HG2 ARG A 238 10.704 23.260 21.008 1.00 19.60 H new ATOM 0 HG3 ARG A 238 11.950 23.108 20.082 1.00 19.60 H new ATOM 0 HD2 ARG A 238 12.932 25.063 21.093 1.00 22.29 H new ATOM 0 HD3 ARG A 238 11.690 25.200 22.026 1.00 22.29 H new ATOM 0 HE ARG A 238 13.665 23.441 22.392 1.00 21.90 H new ATOM 0 HH11 ARG A 238 10.432 23.792 23.187 1.00 23.92 H new ATOM 0 HH12 ARG A 238 10.438 22.766 24.267 1.00 23.92 H new ATOM 0 HH21 ARG A 238 13.600 21.878 23.954 1.00 30.04 H new ATOM 0 HH22 ARG A 238 12.353 21.614 24.725 1.00 30.04 H new ATOM 1913 N TYR A 239 8.067 25.287 18.001 1.00 16.93 N ATOM 1914 CA TYR A 239 7.206 26.246 17.345 1.00 19.18 C ATOM 1915 C TYR A 239 6.860 27.432 18.225 1.00 20.89 C ATOM 1916 O TYR A 239 6.938 27.346 19.468 1.00 20.97 O ATOM 1917 CB TYR A 239 5.937 25.555 16.874 1.00 17.24 C ATOM 1918 CG TYR A 239 6.164 24.524 15.795 1.00 18.16 C ATOM 1919 CD1 TYR A 239 6.645 23.254 16.100 1.00 18.02 C ATOM 1920 CD2 TYR A 239 5.853 24.796 14.469 1.00 18.95 C ATOM 1921 CE1 TYR A 239 6.837 22.311 15.109 1.00 21.21 C ATOM 1922 CE2 TYR A 239 6.035 23.863 13.490 1.00 15.69 C ATOM 1923 CZ TYR A 239 6.519 22.621 13.798 1.00 14.49 C ATOM 1924 OH TYR A 239 6.689 21.683 12.801 1.00 19.21 O ATOM 0 H TYR A 239 7.710 24.915 18.689 1.00 16.93 H new ATOM 0 HA TYR A 239 7.696 26.598 16.586 1.00 19.18 H new ATOM 0 HB2 TYR A 239 5.512 25.127 17.633 1.00 17.24 H new ATOM 0 HB3 TYR A 239 5.318 26.225 16.543 1.00 17.24 H new ATOM 0 HD1 TYR A 239 6.840 23.037 16.983 1.00 18.02 H new ATOM 0 HD2 TYR A 239 5.513 25.632 14.243 1.00 18.95 H new ATOM 0 HE1 TYR A 239 7.178 21.472 15.322 1.00 21.21 H new ATOM 0 HE2 TYR A 239 5.829 24.073 12.608 1.00 15.69 H new ATOM 0 HH TYR A 239 6.981 20.969 13.134 1.00 19.21 H new ATOM 1925 N PRO A 240 6.530 28.571 17.597 1.00 20.46 N ATOM 1926 CA PRO A 240 6.153 29.750 18.373 1.00 22.67 C ATOM 1927 C PRO A 240 4.823 29.602 19.086 1.00 22.73 C ATOM 1928 O PRO A 240 3.883 29.013 18.550 1.00 24.40 O ATOM 1929 CB PRO A 240 6.051 30.858 17.319 1.00 24.34 C ATOM 1930 CG PRO A 240 6.807 30.395 16.178 1.00 19.56 C ATOM 1931 CD PRO A 240 6.738 28.903 16.180 1.00 20.66 C ATOM 0 HA PRO A 240 6.798 29.921 19.077 1.00 22.67 H new ATOM 0 HB2 PRO A 240 5.126 31.024 17.078 1.00 24.34 H new ATOM 0 HB3 PRO A 240 6.410 31.693 17.658 1.00 24.34 H new ATOM 0 HG2 PRO A 240 6.440 30.754 15.355 1.00 19.56 H new ATOM 0 HG3 PRO A 240 7.728 30.695 16.232 1.00 19.56 H new ATOM 0 HD2 PRO A 240 6.011 28.578 15.627 1.00 20.66 H new ATOM 0 HD3 PRO A 240 7.554 28.507 15.836 1.00 20.66 H new HETATM 1932 N MSE A 241 4.755 30.115 20.299 1.00 22.65 N HETATM 1933 CA MSE A 241 3.475 30.261 21.011 1.00 26.63 C HETATM 1934 C MSE A 241 2.690 31.483 20.496 1.00 28.55 C HETATM 1935 O MSE A 241 3.158 32.209 19.598 1.00 27.36 O HETATM 1936 CB MSE A 241 3.747 30.419 22.511 1.00 26.40 C HETATM 1937 CG MSE A 241 4.527 29.253 23.082 1.00 26.58 C HETATM 1938 SE MSE A 241 4.894 29.428 24.969 0.75 28.81 SE HETATM 1939 CE MSE A 241 6.395 30.640 24.982 1.00 30.10 C HETATM 0 H MSE A 241 5.439 30.391 20.741 1.00 22.65 H new HETATM 0 HA MSE A 241 2.940 29.468 20.851 1.00 26.63 H new HETATM 0 HB2 MSE A 241 4.240 31.240 22.663 1.00 26.40 H new HETATM 0 HB3 MSE A 241 2.904 30.503 22.983 1.00 26.40 H new HETATM 0 HG2 MSE A 241 4.029 28.434 22.931 1.00 26.58 H new HETATM 0 HG3 MSE A 241 5.366 29.168 22.603 1.00 26.58 H new HETATM 0 HE1 MSE A 241 6.671 30.804 25.897 1.00 30.10 H new HETATM 0 HE2 MSE A 241 7.132 30.248 24.488 1.00 30.10 H new HETATM 0 HE3 MSE A 241 6.138 31.478 24.567 1.00 30.10 H new ATOM 1940 N ALA A 242 1.516 31.714 21.085 1.00 30.15 N ATOM 1941 CA ALA A 242 0.687 32.864 20.745 1.00 31.06 C ATOM 1942 C ALA A 242 1.466 34.160 20.773 1.00 30.68 C ATOM 1943 O ALA A 242 1.275 34.988 19.904 1.00 31.71 O ATOM 1944 CB ALA A 242 -0.560 32.957 21.667 1.00 31.93 C ATOM 0 H ALA A 242 1.180 31.207 21.693 1.00 30.15 H new ATOM 0 HA ALA A 242 0.384 32.726 19.834 1.00 31.06 H new ATOM 0 HB1 ALA A 242 -1.090 33.730 21.417 1.00 31.93 H new ATOM 0 HB2 ALA A 242 -1.095 32.153 21.571 1.00 31.93 H new ATOM 0 HB3 ALA A 242 -0.275 33.046 22.590 1.00 31.93 H new ATOM 1945 N ASN A 243 2.373 34.332 21.731 1.00 31.61 N ATOM 1946 CA ASN A 243 3.148 35.584 21.812 1.00 32.61 C ATOM 1947 C ASN A 243 4.412 35.680 20.915 1.00 32.00 C ATOM 1948 O ASN A 243 5.157 36.670 20.986 1.00 30.23 O ATOM 1949 CB ASN A 243 3.551 35.837 23.262 1.00 32.32 C ATOM 1950 CG ASN A 243 4.557 34.842 23.757 1.00 34.72 C ATOM 1951 OD1 ASN A 243 4.933 33.919 23.044 1.00 33.92 O ATOM 1952 ND2 ASN A 243 4.982 35.004 24.990 1.00 36.46 N ATOM 0 H ASN A 243 2.558 33.751 22.337 1.00 31.61 H new ATOM 0 HA ASN A 243 2.546 36.261 21.466 1.00 32.61 H new ATOM 0 HB2 ASN A 243 3.918 36.731 23.342 1.00 32.32 H new ATOM 0 HB3 ASN A 243 2.762 35.803 23.825 1.00 32.32 H new ATOM 0 HD21 ASN A 243 5.547 34.450 25.326 1.00 36.46 H new ATOM 0 HD22 ASN A 243 4.695 35.664 25.460 1.00 36.46 H new ATOM 1953 N GLY A 244 4.680 34.655 20.113 1.00 30.66 N ATOM 1954 CA GLY A 244 5.816 34.678 19.189 1.00 28.64 C ATOM 1955 C GLY A 244 7.083 34.033 19.703 1.00 28.01 C ATOM 1956 O GLY A 244 7.953 33.676 18.902 1.00 28.21 O ATOM 0 H GLY A 244 4.215 33.932 20.087 1.00 30.66 H new ATOM 0 HA2 GLY A 244 5.555 34.233 18.368 1.00 28.64 H new ATOM 0 HA3 GLY A 244 6.010 35.601 18.962 1.00 28.64 H new ATOM 1957 N GLN A 245 7.220 33.859 21.022 1.00 27.99 N ATOM 1958 CA GLN A 245 8.419 33.171 21.561 1.00 24.99 C ATOM 1959 C GLN A 245 8.282 31.664 21.368 1.00 22.01 C ATOM 1960 O GLN A 245 7.172 31.124 21.357 1.00 21.44 O ATOM 1961 CB GLN A 245 8.584 33.451 23.054 1.00 29.09 C ATOM 1962 CG GLN A 245 8.780 34.903 23.414 1.00 36.99 C ATOM 1963 CD GLN A 245 8.146 35.247 24.762 1.00 50.00 C ATOM 1964 OE1 GLN A 245 7.307 36.146 24.842 1.00 64.73 O ATOM 1965 NE2 GLN A 245 8.518 34.515 25.816 1.00 49.81 N ATOM 0 H GLN A 245 6.652 34.121 21.613 1.00 27.99 H new ATOM 0 HA GLN A 245 9.194 33.505 21.083 1.00 24.99 H new ATOM 0 HB2 GLN A 245 7.800 33.119 23.520 1.00 29.09 H new ATOM 0 HB3 GLN A 245 9.344 32.945 23.382 1.00 29.09 H new ATOM 0 HG2 GLN A 245 9.729 35.103 23.443 1.00 36.99 H new ATOM 0 HG3 GLN A 245 8.393 35.462 22.723 1.00 36.99 H new ATOM 0 HE21 GLN A 245 9.107 33.895 25.723 1.00 49.81 H new ATOM 0 HE22 GLN A 245 8.168 34.664 26.588 1.00 49.81 H new ATOM 1966 N LEU A 246 9.404 30.974 21.233 1.00 22.34 N ATOM 1967 CA LEU A 246 9.370 29.523 21.042 1.00 21.33 C ATOM 1968 C LEU A 246 8.872 28.849 22.321 1.00 21.57 C ATOM 1969 O LEU A 246 9.169 29.297 23.421 1.00 22.15 O ATOM 1970 CB LEU A 246 10.745 28.987 20.645 1.00 21.51 C ATOM 1971 CG LEU A 246 11.269 29.403 19.269 1.00 24.39 C ATOM 1972 CD1 LEU A 246 12.645 28.813 19.052 1.00 18.70 C ATOM 1973 CD2 LEU A 246 10.315 28.969 18.183 1.00 18.30 C ATOM 0 H LEU A 246 10.192 31.319 21.248 1.00 22.34 H new ATOM 0 HA LEU A 246 8.758 29.318 20.318 1.00 21.33 H new ATOM 0 HB2 LEU A 246 11.387 29.273 21.314 1.00 21.51 H new ATOM 0 HB3 LEU A 246 10.714 28.018 20.678 1.00 21.51 H new ATOM 0 HG LEU A 246 11.335 30.370 19.232 1.00 24.39 H new ATOM 0 HD11 LEU A 246 12.977 29.077 18.180 1.00 18.70 H new ATOM 0 HD12 LEU A 246 13.248 29.138 19.739 1.00 18.70 H new ATOM 0 HD13 LEU A 246 12.593 27.845 19.099 1.00 18.70 H new ATOM 0 HD21 LEU A 246 10.663 29.241 17.319 1.00 18.30 H new ATOM 0 HD22 LEU A 246 10.219 28.004 18.203 1.00 18.30 H new ATOM 0 HD23 LEU A 246 9.450 29.383 18.328 1.00 18.30 H new ATOM 1974 N TYR A 247 8.052 27.815 22.158 1.00 23.23 N ATOM 1975 CA TYR A 247 7.653 26.935 23.271 1.00 23.52 C ATOM 1976 C TYR A 247 8.918 26.318 23.832 1.00 23.28 C ATOM 1977 O TYR A 247 9.687 25.729 23.080 1.00 23.43 O ATOM 1978 CB TYR A 247 6.711 25.835 22.772 1.00 22.01 C ATOM 1979 CG TYR A 247 6.378 24.760 23.783 1.00 22.56 C ATOM 1980 CD1 TYR A 247 5.685 25.065 24.964 1.00 24.55 C ATOM 1981 CD2 TYR A 247 6.716 23.431 23.544 1.00 22.96 C ATOM 1982 CE1 TYR A 247 5.374 24.071 25.886 1.00 25.32 C ATOM 1983 CE2 TYR A 247 6.402 22.422 24.456 1.00 22.58 C ATOM 1984 CZ TYR A 247 5.728 22.747 25.622 1.00 23.87 C ATOM 1985 OH TYR A 247 5.446 21.741 26.512 1.00 26.39 O ATOM 0 H TYR A 247 7.707 27.598 21.401 1.00 23.23 H new ATOM 0 HA TYR A 247 7.183 27.441 23.952 1.00 23.52 H new ATOM 0 HB2 TYR A 247 5.884 26.247 22.476 1.00 22.01 H new ATOM 0 HB3 TYR A 247 7.112 25.415 21.995 1.00 22.01 H new ATOM 0 HD1 TYR A 247 5.430 25.943 25.133 1.00 24.55 H new ATOM 0 HD2 TYR A 247 7.162 23.210 22.758 1.00 22.96 H new ATOM 0 HE1 TYR A 247 4.932 24.288 26.675 1.00 25.32 H new ATOM 0 HE2 TYR A 247 6.643 21.541 24.283 1.00 22.58 H new ATOM 0 HH TYR A 247 5.617 20.998 26.159 1.00 26.39 H new ATOM 1986 N THR A 248 9.118 26.413 25.145 1.00 25.92 N ATOM 1987 CA THR A 248 10.368 25.930 25.772 1.00 26.74 C ATOM 1988 C THR A 248 10.224 24.632 26.565 1.00 27.99 C ATOM 1989 O THR A 248 11.170 24.203 27.209 1.00 28.68 O ATOM 1990 CB THR A 248 10.941 27.004 26.709 1.00 26.79 C ATOM 1991 OG1 THR A 248 9.940 27.369 27.650 1.00 26.43 O ATOM 1992 CG2 THR A 248 11.336 28.258 25.916 1.00 30.87 C ATOM 0 H THR A 248 8.550 26.751 25.695 1.00 25.92 H new ATOM 0 HA THR A 248 10.964 25.745 25.030 1.00 26.74 H new ATOM 0 HB THR A 248 11.725 26.646 27.153 1.00 26.79 H new ATOM 0 HG1 THR A 248 9.795 26.725 28.169 1.00 26.43 H new ATOM 0 HG21 THR A 248 11.695 28.925 26.522 1.00 30.87 H new ATOM 0 HG22 THR A 248 12.008 28.026 25.256 1.00 30.87 H new ATOM 0 HG23 THR A 248 10.554 28.617 25.468 1.00 30.87 H new ATOM 1993 N GLY A 249 9.056 24.000 26.527 1.00 29.19 N ATOM 1994 CA GLY A 249 8.803 22.788 27.315 1.00 30.15 C ATOM 1995 C GLY A 249 9.380 21.524 26.694 1.00 32.06 C ATOM 1996 O GLY A 249 9.964 21.548 25.590 1.00 28.23 O ATOM 0 H GLY A 249 8.389 24.256 26.048 1.00 29.19 H new ATOM 0 HA2 GLY A 249 9.179 22.904 28.202 1.00 30.15 H new ATOM 0 HA3 GLY A 249 7.846 22.677 27.425 1.00 30.15 H new ATOM 1997 N PHE A 250 9.219 20.406 27.395 1.00 33.13 N ATOM 1998 CA PHE A 250 9.949 19.186 27.031 1.00 36.20 C ATOM 1999 C PHE A 250 9.086 17.963 26.734 1.00 38.58 C ATOM 2000 O PHE A 250 9.623 16.900 26.328 1.00 39.65 O ATOM 2001 CB PHE A 250 11.036 18.901 28.081 1.00 36.87 C ATOM 2002 CG PHE A 250 12.175 19.853 27.986 1.00 33.36 C ATOM 2003 CD1 PHE A 250 12.119 21.070 28.632 1.00 26.04 C ATOM 2004 CD2 PHE A 250 13.260 19.574 27.173 1.00 29.90 C ATOM 2005 CE1 PHE A 250 13.118 21.961 28.499 1.00 19.11 C ATOM 2006 CE2 PHE A 250 14.277 20.470 27.043 1.00 28.48 C ATOM 2007 CZ PHE A 250 14.210 21.668 27.695 1.00 27.32 C ATOM 0 H PHE A 250 8.700 20.328 28.076 1.00 33.13 H new ATOM 0 HA PHE A 250 10.364 19.367 26.173 1.00 36.20 H new ATOM 0 HB2 PHE A 250 10.647 18.952 28.968 1.00 36.87 H new ATOM 0 HB3 PHE A 250 11.364 17.995 27.967 1.00 36.87 H new ATOM 0 HD1 PHE A 250 11.385 21.276 29.164 1.00 26.04 H new ATOM 0 HD2 PHE A 250 13.295 18.767 26.711 1.00 29.90 H new ATOM 0 HE1 PHE A 250 13.077 22.775 28.947 1.00 19.11 H new ATOM 0 HE2 PHE A 250 15.014 20.267 26.513 1.00 28.48 H new ATOM 0 HZ PHE A 250 14.897 22.288 27.600 1.00 27.32 H new ATOM 2008 N VAL A 251 7.772 18.117 26.913 1.00 37.69 N ATOM 2009 CA VAL A 251 6.790 17.150 26.437 1.00 40.10 C ATOM 2010 C VAL A 251 5.830 17.957 25.592 1.00 40.68 C ATOM 2011 O VAL A 251 5.939 19.202 25.558 1.00 38.16 O ATOM 2012 CB VAL A 251 6.011 16.487 27.603 1.00 38.73 C ATOM 0 H VAL A 251 7.426 18.792 27.318 1.00 37.69 H new ATOM 0 HA VAL A 251 7.223 16.431 25.951 1.00 40.10 H new ATOM 2013 N ALA A 252 4.905 17.267 24.920 1.00 41.80 N ATOM 2014 CA ALA A 252 3.852 17.923 24.115 1.00 44.05 C ATOM 2015 C ALA A 252 3.155 19.025 24.916 1.00 45.54 C ATOM 2016 O ALA A 252 2.677 18.744 26.007 1.00 47.88 O ATOM 2017 CB ALA A 252 2.811 16.885 23.653 1.00 43.06 C ATOM 0 H ALA A 252 4.865 16.408 24.914 1.00 41.80 H new ATOM 0 HA ALA A 252 4.275 18.324 23.340 1.00 44.05 H new ATOM 0 HB1 ALA A 252 2.126 17.326 23.126 1.00 43.06 H new ATOM 0 HB2 ALA A 252 3.247 16.207 23.113 1.00 43.06 H new ATOM 0 HB3 ALA A 252 2.404 16.468 24.428 1.00 43.06 H new ATOM 2018 N ALA A 253 3.087 20.257 24.391 1.00 45.65 N ATOM 2019 CA ALA A 253 2.398 21.375 25.087 1.00 44.85 C ATOM 2020 C ALA A 253 0.939 21.069 25.366 1.00 47.04 C ATOM 2021 O ALA A 253 0.342 21.689 26.248 1.00 52.69 O ATOM 2022 CB ALA A 253 2.506 22.678 24.300 1.00 41.79 C ATOM 0 H ALA A 253 3.431 20.473 23.633 1.00 45.65 H new ATOM 0 HA ALA A 253 2.853 21.481 25.937 1.00 44.85 H new ATOM 0 HB1 ALA A 253 2.047 23.385 24.780 1.00 41.79 H new ATOM 0 HB2 ALA A 253 3.441 22.914 24.192 1.00 41.79 H new ATOM 0 HB3 ALA A 253 2.099 22.564 23.427 1.00 41.79 H new TER 2023 ALA A 253 HETATM 2024 NI NI A 267 15.300 15.403 25.406 1.00 23.76 NI HETATM 2025 S SO4 A 268 19.640 12.970 52.091 1.00 67.09 S HETATM 2026 O1 SO4 A 268 21.029 13.422 52.124 1.00 67.47 O HETATM 2027 O2 SO4 A 268 18.933 13.492 50.913 1.00 62.59 O HETATM 2028 O3 SO4 A 268 19.633 11.504 52.116 1.00 66.94 O HETATM 2029 O4 SO4 A 268 18.957 13.519 53.263 1.00 76.93 O HETATM 2030 S SO4 A 269 3.013 12.328 33.844 1.00 76.97 S HETATM 2031 O1 SO4 A 269 3.873 13.009 32.882 1.00 83.81 O HETATM 2032 O2 SO4 A 269 1.714 12.078 33.227 1.00 82.40 O HETATM 2033 O3 SO4 A 269 3.622 11.053 34.222 1.00 77.71 O HETATM 2034 O4 SO4 A 269 2.836 13.192 35.010 1.00 79.04 O HETATM 2035 S SO4 A 270 37.037 26.054 31.711 0.50 43.47 S HETATM 2036 O1 SO4 A 270 37.707 26.707 30.587 0.50 41.90 O HETATM 2037 O2 SO4 A 270 35.628 26.405 31.698 0.50 36.01 O HETATM 2038 O3 SO4 A 270 37.177 24.600 31.574 0.50 35.87 O HETATM 2039 O4 SO4 A 270 37.592 26.515 32.982 0.50 43.51 O HETATM 2040 C1 GOL A 271 10.756 4.640 34.537 1.00 49.20 C HETATM 2041 O1 GOL A 271 12.085 5.059 34.301 1.00 29.54 O HETATM 2042 C2 GOL A 271 10.223 3.800 33.381 1.00 43.39 C HETATM 2043 O2 GOL A 271 9.372 4.623 32.622 1.00 62.05 O HETATM 2044 C3 GOL A 271 9.431 2.615 33.909 1.00 38.47 C HETATM 2045 O3 GOL A 271 10.281 1.795 34.664 1.00 41.92 O HETATM 0 HO3 GOL A 271 9.848 1.139 34.960 1.00 41.92 H new HETATM 0 HO2 GOL A 271 9.063 4.186 31.975 1.00 62.05 H new HETATM 0 HO1 GOL A 271 12.115 5.513 33.595 1.00 29.54 H new HETATM 0 H32 GOL A 271 8.691 2.924 34.456 1.00 38.47 H new HETATM 0 H31 GOL A 271 9.049 2.113 33.172 1.00 38.47 H new HETATM 0 H2 GOL A 271 10.958 3.463 32.846 1.00 43.39 H new HETATM 0 H12 GOL A 271 10.719 4.124 35.358 1.00 49.20 H new HETATM 0 H11 GOL A 271 10.188 5.416 34.664 1.00 49.20 H new HETATM 2046 C1 GOL A 272 27.764 34.957 32.484 1.00 60.74 C HETATM 2047 O1 GOL A 272 26.564 35.708 32.374 1.00 60.86 O HETATM 2048 C2 GOL A 272 28.316 34.685 31.083 1.00 59.86 C HETATM 2049 O2 GOL A 272 27.219 34.621 30.196 1.00 50.34 O HETATM 2050 C3 GOL A 272 29.252 33.450 31.034 1.00 61.03 C HETATM 2051 O3 GOL A 272 28.796 32.359 30.227 1.00 53.04 O HETATM 0 HO3 GOL A 272 28.456 31.769 30.719 1.00 53.04 H new HETATM 0 HO2 GOL A 272 27.192 33.862 29.837 1.00 50.34 H new HETATM 0 HO1 GOL A 272 26.304 35.706 31.575 1.00 60.86 H new HETATM 0 H32 GOL A 272 30.119 33.734 30.705 1.00 61.03 H new HETATM 0 H31 GOL A 272 29.384 33.128 31.940 1.00 61.03 H new HETATM 0 H2 GOL A 272 28.898 35.409 30.804 1.00 59.86 H new HETATM 0 H12 GOL A 272 28.416 35.444 33.012 1.00 60.74 H new HETATM 0 H11 GOL A 272 27.594 34.120 32.945 1.00 60.74 H new HETATM 2052 C1 GOL A 273 11.057 12.121 22.826 1.00 64.37 C HETATM 2053 O1 GOL A 273 10.162 11.558 23.755 1.00 66.74 O HETATM 2054 C2 GOL A 273 11.667 11.019 21.963 1.00 66.73 C HETATM 2055 O2 GOL A 273 11.783 11.492 20.643 1.00 64.23 O HETATM 2056 C3 GOL A 273 13.043 10.556 22.446 1.00 65.43 C HETATM 2057 O3 GOL A 273 13.144 9.146 22.356 1.00 70.22 O HETATM 0 HO3 GOL A 273 13.875 8.896 22.685 1.00 70.22 H new HETATM 0 HO2 GOL A 273 12.119 10.893 20.159 1.00 64.23 H new HETATM 0 HO1 GOL A 273 9.830 12.167 24.229 1.00 66.74 H new HETATM 0 H32 GOL A 273 13.738 10.971 21.911 1.00 65.43 H new HETATM 0 H31 GOL A 273 13.183 10.839 23.363 1.00 65.43 H new HETATM 0 H2 GOL A 273 11.076 10.252 22.021 1.00 66.73 H new HETATM 0 H12 GOL A 273 10.593 12.763 22.266 1.00 64.37 H new HETATM 0 H11 GOL A 273 11.758 12.604 23.291 1.00 64.37 H new HETATM 2058 C1 GOL A 274 24.865 16.784 53.216 1.00 60.05 C HETATM 2059 O1 GOL A 274 24.589 17.482 52.015 1.00 57.81 O HETATM 2060 C2 GOL A 274 25.023 15.303 52.887 1.00 57.01 C HETATM 2061 O2 GOL A 274 25.295 15.183 51.525 1.00 53.62 O HETATM 2062 C3 GOL A 274 26.163 14.636 53.642 1.00 57.92 C HETATM 2063 O3 GOL A 274 26.336 13.310 53.178 1.00 59.95 O HETATM 0 HO3 GOL A 274 26.967 12.947 53.597 1.00 59.95 H new HETATM 0 HO2 GOL A 274 25.740 14.484 51.388 1.00 53.62 H new HETATM 0 HO1 GOL A 274 24.824 17.014 51.358 1.00 57.81 H new HETATM 0 H32 GOL A 274 26.982 15.140 53.518 1.00 57.92 H new HETATM 0 H31 GOL A 274 25.973 14.632 54.593 1.00 57.92 H new HETATM 0 H2 GOL A 274 24.198 14.865 53.147 1.00 57.01 H new HETATM 0 H12 GOL A 274 25.674 17.127 53.627 1.00 60.05 H new HETATM 0 H11 GOL A 274 24.146 16.913 53.854 1.00 60.05 H new HETATM 2064 C1 PEG A 275 32.714 4.759 27.108 1.00 47.71 C HETATM 2065 O1 PEG A 275 33.234 5.253 28.344 1.00 35.61 O HETATM 2066 C2 PEG A 275 31.934 3.471 27.277 1.00 52.44 C HETATM 2067 O2 PEG A 275 31.134 3.541 28.466 1.00 52.17 O HETATM 2068 C3 PEG A 275 31.697 2.821 29.574 1.00 57.89 C HETATM 2069 C4 PEG A 275 30.572 2.087 30.294 1.00 56.85 C HETATM 2070 O4 PEG A 275 31.136 1.258 31.313 1.00 57.03 O HETATM 0 HO4 PEG A 275 31.048 0.451 31.098 1.00 57.03 H new HETATM 0 HO1 PEG A 275 33.551 6.022 28.227 1.00 35.61 H new HETATM 0 H42 PEG A 275 29.952 2.723 30.684 1.00 56.85 H new HETATM 0 H41 PEG A 275 30.067 1.548 29.665 1.00 56.85 H new HETATM 0 H32 PEG A 275 32.365 2.191 29.262 1.00 57.89 H new HETATM 0 H31 PEG A 275 32.144 3.432 30.181 1.00 57.89 H new HETATM 0 H22 PEG A 275 31.367 3.322 26.504 1.00 52.44 H new HETATM 0 H21 PEG A 275 32.544 2.718 27.331 1.00 52.44 H new HETATM 0 H12 PEG A 275 32.139 5.432 26.711 1.00 47.71 H new HETATM 0 H11 PEG A 275 33.446 4.611 26.489 1.00 47.71 H new HETATM 2071 C1 PEG A 276 10.984 12.392 31.556 1.00 48.06 C HETATM 2072 O1 PEG A 276 10.229 13.297 30.759 1.00 51.50 O HETATM 2073 C2 PEG A 276 12.331 12.235 30.877 1.00 51.91 C HETATM 2074 O2 PEG A 276 13.094 11.206 31.508 1.00 47.72 O HETATM 2075 C3 PEG A 276 14.444 11.611 31.746 1.00 45.72 C HETATM 2076 C4 PEG A 276 15.133 12.075 30.455 1.00 47.28 C HETATM 2077 O4 PEG A 276 16.539 12.074 30.676 1.00 27.69 O HETATM 0 HO4 PEG A 276 16.738 12.683 31.219 1.00 27.69 H new HETATM 0 HO1 PEG A 276 9.471 13.409 31.104 1.00 51.50 H new HETATM 0 H42 PEG A 276 14.906 11.485 29.719 1.00 47.28 H new HETATM 0 H41 PEG A 276 14.830 12.963 30.210 1.00 47.28 H new HETATM 0 H32 PEG A 276 14.456 12.330 32.396 1.00 45.72 H new HETATM 0 H31 PEG A 276 14.941 10.872 32.131 1.00 45.72 H new HETATM 0 H22 PEG A 276 12.203 12.021 29.939 1.00 51.91 H new HETATM 0 H21 PEG A 276 12.817 13.074 30.913 1.00 51.91 H new HETATM 0 H12 PEG A 276 11.090 12.733 32.458 1.00 48.06 H new HETATM 0 H11 PEG A 276 10.532 11.537 31.628 1.00 48.06 H new HETATM 2078 O1 PG4 A 277 29.078 4.180 9.608 1.00 62.92 O HETATM 2079 C1 PG4 A 277 27.810 4.688 9.155 1.00 60.33 C HETATM 2080 C2 PG4 A 277 26.739 3.596 9.186 1.00 59.49 C HETATM 2081 O2 PG4 A 277 25.577 4.035 9.909 1.00 54.82 O HETATM 2082 C3 PG4 A 277 25.297 3.330 11.126 1.00 49.30 C HETATM 2083 C4 PG4 A 277 26.396 3.606 12.157 1.00 54.89 C HETATM 2084 O3 PG4 A 277 26.075 3.142 13.487 1.00 55.30 O HETATM 2085 C5 PG4 A 277 26.854 3.721 14.553 1.00 48.53 C HETATM 2086 C6 PG4 A 277 27.604 2.698 15.396 1.00 48.81 C HETATM 2087 O4 PG4 A 277 28.958 3.145 15.436 1.00 55.34 O HETATM 2088 C7 PG4 A 277 29.932 2.198 15.866 1.00 50.93 C HETATM 2089 C8 PG4 A 277 31.307 2.730 15.454 1.00 56.00 C HETATM 2090 O5 PG4 A 277 31.361 2.857 14.019 1.00 58.46 O HETATM 0 HO5 PG4 A 277 31.089 2.146 13.664 1.00 58.46 H new HETATM 0 HO1 PG4 A 277 29.651 4.793 9.582 1.00 62.92 H new HETATM 0 H82 PG4 A 277 31.470 3.590 15.871 1.00 56.00 H new HETATM 0 H81 PG4 A 277 32.003 2.129 15.762 1.00 56.00 H new HETATM 0 H72 PG4 A 277 29.888 2.076 16.827 1.00 50.93 H new HETATM 0 H71 PG4 A 277 29.767 1.332 15.462 1.00 50.93 H new HETATM 0 H62 PG4 A 277 27.230 2.641 16.289 1.00 48.81 H new HETATM 0 H61 PG4 A 277 27.541 1.812 15.006 1.00 48.81 H new HETATM 0 H52 PG4 A 277 27.493 4.344 14.173 1.00 48.53 H new HETATM 0 H51 PG4 A 277 26.266 4.233 15.130 1.00 48.53 H new HETATM 0 H42 PG4 A 277 27.217 3.181 11.864 1.00 54.89 H new HETATM 0 H41 PG4 A 277 26.566 4.560 12.188 1.00 54.89 H new HETATM 0 H32 PG4 A 277 24.436 3.606 11.478 1.00 49.30 H new HETATM 0 H31 PG4 A 277 25.239 2.378 10.951 1.00 49.30 H new HETATM 0 H22 PG4 A 277 26.489 3.357 8.280 1.00 59.49 H new HETATM 0 H21 PG4 A 277 27.099 2.797 9.601 1.00 59.49 H new HETATM 0 H12 PG4 A 277 27.536 5.430 9.716 1.00 60.33 H new HETATM 0 H11 PG4 A 277 27.899 5.032 8.253 1.00 60.33 H new HETATM 2091 O HOH A 278 28.685 12.916 29.011 1.00 12.93 O HETATM 2092 O HOH A 279 37.649 21.024 43.367 1.00 14.37 O HETATM 2093 O HOH A 280 19.634 8.547 25.758 1.00 15.13 O HETATM 2094 O HOH A 281 24.389 -10.135 41.328 1.00 15.63 O HETATM 2095 O HOH A 282 21.120 22.762 14.770 1.00 16.12 O HETATM 2096 O HOH A 283 23.020 10.495 35.576 1.00 16.04 O HETATM 2097 O HOH A 284 9.514 25.768 13.879 1.00 16.14 O HETATM 2098 O HOH A 285 11.083 5.706 37.186 1.00 17.06 O HETATM 2099 O HOH A 286 23.106 13.174 50.837 1.00 17.42 O HETATM 2100 O HOH A 287 31.397 0.159 33.563 1.00 17.68 O HETATM 2101 O HOH A 288 21.668 21.771 8.118 1.00 17.79 O HETATM 2102 O HOH A 289 24.449 24.457 21.008 1.00 17.55 O HETATM 2103 O HOH A 290 23.216 12.693 34.024 1.00 17.70 O HETATM 2104 O HOH A 291 33.541 9.634 44.336 1.00 18.70 O HETATM 2105 O HOH A 292 29.785 5.006 32.973 1.00 18.03 O HETATM 2106 O HOH A 293 23.231 24.126 13.632 1.00 18.32 O HETATM 2107 O HOH A 294 30.123 -11.506 32.649 1.00 19.27 O HETATM 2108 O HOH A 295 25.049 17.680 18.754 1.00 19.03 O HETATM 2109 O HOH A 296 16.556 28.677 17.579 1.00 19.06 O HETATM 2110 O HOH A 297 22.972 35.029 33.020 1.00 19.02 O HETATM 2111 O HOH A 298 8.650 19.277 11.247 1.00 20.37 O HETATM 2112 O HOH A 299 27.192 17.873 47.061 1.00 20.04 O HETATM 2113 O HOH A 300 7.666 34.147 16.259 1.00 20.60 O HETATM 2114 O HOH A 301 16.541 14.230 32.494 1.00 21.00 O HETATM 2115 O HOH A 302 12.199 8.924 16.590 1.00 21.07 O HETATM 2116 O HOH A 303 32.386 9.419 32.366 1.00 20.61 O HETATM 2117 O HOH A 304 19.985 0.651 32.232 1.00 20.65 O HETATM 2118 O HOH A 305 12.805 24.551 10.477 1.00 20.81 O HETATM 2119 O HOH A 306 14.560 15.737 27.552 1.00 21.20 O HETATM 2120 O HOH A 307 20.039 1.248 29.443 1.00 21.57 O HETATM 2121 O HOH A 308 12.829 -4.255 42.760 1.00 21.28 O HETATM 2122 O HOH A 309 31.781 22.391 35.893 1.00 22.06 O HETATM 2123 O HOH A 310 13.386 16.095 25.338 1.00 21.10 O HETATM 2124 O HOH A 311 15.746 10.585 48.809 1.00 21.85 O HETATM 2125 O HOH A 312 29.880 18.629 11.862 1.00 22.54 O HETATM 2126 O HOH A 313 17.462 1.374 32.190 1.00 22.05 O HETATM 2127 O HOH A 314 15.694 18.117 45.485 1.00 23.04 O HETATM 2128 O HOH A 315 25.497 14.238 35.124 1.00 23.11 O HETATM 2129 O HOH A 316 19.952 26.395 21.695 1.00 23.82 O HETATM 2130 O HOH A 317 26.418 0.645 19.674 1.00 23.43 O HETATM 2131 O HOH A 318 19.943 37.114 26.201 1.00 24.28 O HETATM 2132 O HOH A 319 22.717 8.044 50.195 1.00 23.87 O HETATM 2133 O HOH A 320 13.088 20.059 5.309 1.00 23.53 O HETATM 2134 O HOH A 321 22.213 37.171 23.576 1.00 24.06 O HETATM 2135 O HOH A 322 22.996 26.947 12.915 1.00 24.62 O HETATM 2136 O HOH A 323 33.214 -6.756 35.493 1.00 24.90 O HETATM 2137 O HOH A 324 33.746 14.538 39.939 1.00 24.78 O HETATM 2138 O HOH A 325 31.088 -2.263 39.559 1.00 24.76 O HETATM 2139 O HOH A 326 18.186 6.787 27.920 1.00 25.29 O HETATM 2140 O HOH A 327 13.777 13.551 25.704 1.00 27.17 O HETATM 2141 O HOH A 328 10.865 30.913 24.423 1.00 25.36 O HETATM 2142 O HOH A 329 17.446 -8.539 41.905 1.00 25.74 O HETATM 2143 O HOH A 330 5.605 9.448 13.452 1.00 24.95 O HETATM 2144 O HOH A 331 29.385 2.294 33.796 1.00 26.61 O HETATM 2145 O HOH A 332 7.110 22.987 8.061 1.00 27.17 O HETATM 2146 O HOH A 333 30.708 24.701 35.227 1.00 26.84 O HETATM 2147 O HOH A 334 6.160 10.254 34.123 1.00 27.20 O HETATM 2148 O HOH A 335 30.178 -5.253 23.627 1.00 27.68 O HETATM 2149 O HOH A 336 35.370 11.068 22.862 1.00 27.98 O HETATM 2150 O HOH A 337 22.185 6.348 19.185 1.00 27.46 O HETATM 2151 O HOH A 338 31.949 5.241 34.760 1.00 27.65 O HETATM 2152 O HOH A 339 19.652 29.687 18.200 1.00 27.68 O HETATM 2153 O HOH A 340 17.653 19.855 44.576 1.00 27.96 O HETATM 2154 O HOH A 341 21.589 11.160 4.242 1.00 28.33 O HETATM 2155 O HOH A 342 27.794 21.362 42.742 1.00 27.02 O HETATM 2156 O HOH A 343 2.227 25.501 15.533 1.00 27.99 O HETATM 2157 O HOH A 344 34.078 18.112 22.173 1.00 28.91 O HETATM 2158 O HOH A 345 35.320 14.565 28.294 1.00 27.60 O HETATM 2159 O HOH A 346 15.584 7.189 28.187 1.00 29.37 O HETATM 2160 O HOH A 347 3.213 27.804 16.009 1.00 28.67 O HETATM 2161 O HOH A 348 33.661 7.305 33.144 1.00 29.31 O HETATM 2162 O HOH A 349 10.426 10.960 7.685 1.00 28.70 O HETATM 2163 O HOH A 350 24.005 22.116 9.109 1.00 29.55 O HETATM 2164 O HOH A 351 27.590 1.790 50.291 1.00 30.96 O HETATM 2165 O HOH A 352 31.331 16.328 13.508 1.00 29.60 O HETATM 2166 O HOH A 353 23.542 -0.537 46.692 1.00 30.18 O HETATM 2167 O HOH A 354 16.049 5.302 31.180 1.00 28.98 O HETATM 2168 O HOH A 355 9.145 3.860 37.544 1.00 29.98 O HETATM 2169 O HOH A 356 28.345 31.761 24.714 1.00 29.47 O HETATM 2170 O HOH A 357 30.023 31.808 39.833 1.00 29.93 O HETATM 2171 O HOH A 358 14.553 3.575 11.401 1.00 29.51 O HETATM 2172 O HOH A 359 15.706 14.425 3.513 1.00 34.72 O HETATM 2173 O HOH A 360 17.438 27.345 40.656 1.00 53.58 O HETATM 2174 O HOH A 361 12.403 29.536 41.616 1.00 45.73 O HETATM 2175 O HOH A 362 21.229 29.455 13.759 1.00 29.84 O HETATM 2176 O HOH A 363 27.581 18.887 19.989 1.00 31.30 O HETATM 2177 O HOH A 364 18.807 30.762 38.255 1.00 30.15 O HETATM 2178 O HOH A 365 24.788 23.628 11.524 1.00 31.75 O HETATM 2179 O HOH A 366 16.374 2.978 21.659 1.00 29.41 O HETATM 2180 O HOH A 367 9.841 10.228 10.310 1.00 30.98 O HETATM 2181 O HOH A 368 30.962 19.037 35.721 1.00 30.56 O HETATM 2182 O HOH A 369 11.358 27.910 40.356 1.00 30.66 O HETATM 2183 O HOH A 370 19.821 28.239 26.707 1.00 30.87 O HETATM 2184 O HOH A 371 22.121 -2.931 46.568 1.00 29.56 O HETATM 2185 O HOH A 372 31.482 14.148 15.103 1.00 30.43 O HETATM 2186 O HOH A 373 23.082 19.609 48.376 1.00 32.70 O HETATM 2187 O HOH A 374 25.836 -3.767 44.492 1.00 30.41 O HETATM 2188 O HOH A 375 38.174 20.843 39.503 1.00 30.60 O HETATM 2189 O HOH A 376 18.502 27.753 19.718 1.00 32.09 O HETATM 2190 O HOH A 377 23.006 -7.629 45.939 1.00 33.02 O HETATM 2191 O HOH A 378 9.849 12.300 47.325 1.00 32.78 O HETATM 2192 O HOH A 379 11.851 27.321 37.208 1.00 33.51 O HETATM 2193 O HOH A 380 6.293 18.378 10.385 1.00 32.22 O HETATM 2194 O HOH A 381 28.312 25.016 23.499 1.00 33.69 O HETATM 2195 O HOH A 382 17.532 11.097 50.690 1.00 32.26 O HETATM 2196 O HOH A 383 14.107 27.660 22.353 1.00 31.75 O HETATM 2197 O HOH A 384 31.850 28.071 37.512 1.00 34.90 O HETATM 2198 O HOH A 385 32.257 14.874 17.506 1.00 32.99 O HETATM 2199 O HOH A 386 18.468 -3.350 49.302 1.00 33.50 O HETATM 2200 O HOH A 387 31.232 31.121 29.537 1.00 32.70 O HETATM 2201 O HOH A 388 12.762 6.460 32.172 1.00 34.65 O HETATM 2202 O HOH A 389 22.693 19.338 7.416 1.00 33.35 O HETATM 2203 O HOH A 390 31.534 -0.472 25.787 1.00 34.05 O HETATM 2204 O HOH A 391 34.817 10.662 29.392 1.00 33.68 O HETATM 2205 O HOH A 392 28.759 2.597 22.078 1.00 35.67 O HETATM 2206 O HOH A 393 17.092 23.522 42.173 1.00 35.08 O HETATM 2207 O HOH A 394 21.292 3.312 14.066 1.00 34.15 O HETATM 2208 O HOH A 395 22.928 4.044 53.355 1.00 34.78 O HETATM 2209 O HOH A 396 24.128 -11.126 43.761 1.00 35.32 O HETATM 2210 O HOH A 397 25.859 -6.408 20.375 1.00 36.93 O HETATM 2211 O HOH A 398 21.918 27.211 41.071 1.00 35.33 O HETATM 2212 O HOH A 399 33.136 -0.872 29.658 1.00 36.23 O HETATM 2213 O HOH A 400 17.809 2.846 8.453 1.00 36.95 O HETATM 2214 O HOH A 401 21.303 25.044 42.028 1.00 34.75 O HETATM 2215 O AHOH A 402 31.053 21.397 21.850 0.50 19.81 O HETATM 2216 O BHOH A 402 29.730 20.287 20.921 0.50 24.84 O HETATM 2217 O HOH A 403 5.345 33.884 15.381 1.00 36.69 O HETATM 2218 O HOH A 404 7.767 11.780 46.552 1.00 37.30 O HETATM 2219 O HOH A 405 15.033 -8.190 41.327 1.00 34.54 O HETATM 2220 O HOH A 406 23.256 32.251 36.486 1.00 36.43 O HETATM 2221 O HOH A 407 7.317 27.690 27.015 1.00 34.95 O HETATM 2222 O HOH A 408 9.009 26.851 3.636 1.00 38.65 O HETATM 2223 O HOH A 409 20.873 35.923 31.875 1.00 36.89 O HETATM 2224 O HOH A 410 7.979 15.470 21.718 1.00 35.41 O HETATM 2225 O HOH A 411 25.639 23.359 7.044 1.00 35.57 O HETATM 2226 O HOH A 412 35.251 12.364 33.729 1.00 36.40 O HETATM 2227 O HOH A 413 26.528 22.933 22.375 1.00 37.13 O HETATM 2228 O HOH A 414 26.052 -0.502 47.435 1.00 37.20 O HETATM 2229 O HOH A 415 24.370 10.228 50.502 1.00 37.97 O HETATM 2230 O HOH A 416 18.898 -3.276 30.360 1.00 37.84 O HETATM 2231 O HOH A 417 21.472 0.969 15.288 1.00 39.00 O HETATM 2232 O HOH A 418 16.984 21.831 46.821 1.00 39.45 O HETATM 2233 O HOH A 419 2.940 12.015 19.086 1.00 38.00 O HETATM 2234 O HOH A 420 18.824 -7.006 31.650 1.00 39.34 O HETATM 2235 O HOH A 421 35.726 10.676 43.515 1.00 39.72 O HETATM 2236 O HOH A 422 18.847 25.329 40.764 1.00 38.33 O HETATM 2237 O HOH A 423 35.377 28.064 38.661 1.00 38.79 O HETATM 2238 O HOH A 424 33.679 3.077 35.520 1.00 38.95 O HETATM 2239 O HOH A 425 19.120 36.612 33.380 1.00 39.64 O HETATM 2240 O HOH A 426 21.501 -8.872 34.715 1.00 39.42 O HETATM 2241 O HOH A 427 33.902 6.948 44.444 1.00 38.98 O HETATM 2242 O HOH A 428 16.552 -4.659 51.420 1.00 37.34 O HETATM 2243 O HOH A 429 29.480 10.748 9.408 1.00 38.97 O HETATM 2244 O HOH A 430 36.409 12.484 27.170 1.00 39.78 O HETATM 2245 O HOH A 431 5.991 16.891 21.814 1.00 39.66 O HETATM 2246 O HOH A 432 24.874 29.734 40.797 1.00 38.65 O HETATM 2247 O HOH A 433 24.896 33.792 19.775 1.00 40.13 O HETATM 2248 O HOH A 434 26.992 -13.151 41.465 1.00 38.35 O HETATM 2249 O HOH A 435 9.414 -4.273 51.448 1.00 38.50 O HETATM 2250 O HOH A 436 0.557 29.449 22.567 1.00 39.64 O HETATM 2251 O HOH A 437 14.310 -6.318 36.382 1.00 37.38 O HETATM 2252 O HOH A 438 15.921 27.654 20.135 1.00 40.05 O HETATM 2253 O HOH A 439 14.910 23.875 18.929 1.00 41.21 O HETATM 2254 O HOH A 440 28.424 34.043 26.719 1.00 42.17 O HETATM 2255 O HOH A 441 17.340 28.666 25.648 1.00 39.91 O HETATM 2256 O HOH A 442 32.319 30.497 38.117 1.00 41.12 O HETATM 2257 O HOH A 443 23.456 33.510 17.592 1.00 41.43 O HETATM 2258 O HOH A 444 29.750 -2.390 23.271 1.00 42.80 O HETATM 2259 O HOH A 445 24.790 37.194 22.475 1.00 41.03 O HETATM 2260 O HOH A 446 31.445 7.264 15.897 1.00 40.43 O HETATM 2261 O HOH A 447 18.704 4.888 26.806 1.00 41.77 O HETATM 2262 O HOH A 448 5.833 11.459 42.253 1.00 40.52 O HETATM 2263 O HOH A 449 11.418 1.627 18.226 1.00 43.77 O HETATM 2264 O HOH A 450 35.462 12.422 40.265 1.00 42.43 O HETATM 2265 O HOH A 451 28.594 10.157 52.388 1.00 42.42 O HETATM 2266 O HOH A 452 23.297 35.300 35.911 1.00 42.69 O HETATM 2267 O HOH A 453 35.692 -7.040 33.454 1.00 41.99 O HETATM 2268 O HOH A 454 8.076 0.648 42.683 1.00 43.25 O HETATM 2269 O HOH A 455 37.639 9.991 46.844 1.00 47.04 O HETATM 2270 O HOH A 456 17.071 -1.762 29.617 1.00 44.23 O HETATM 2271 O HOH A 457 36.979 11.923 38.210 1.00 44.28 O HETATM 2272 O HOH A 458 28.615 15.937 5.621 1.00 44.53 O HETATM 2273 O HOH A 459 35.502 6.394 42.102 1.00 44.27 O HETATM 2274 O HOH A 460 5.695 7.070 12.181 1.00 44.02 O HETATM 2275 O HOH A 461 9.890 -0.656 35.260 1.00 45.12 O HETATM 2276 O HOH A 462 1.674 32.780 24.259 1.00 43.21 O HETATM 2277 O HOH A 463 35.507 7.876 40.442 1.00 44.12 O HETATM 2278 O HOH A 464 34.256 2.554 41.852 1.00 44.40 O HETATM 2279 O HOH A 465 38.963 18.969 41.105 1.00 46.39 O HETATM 2280 O HOH A 466 34.994 14.950 18.613 1.00 45.46 O HETATM 2281 O HOH A 467 4.966 19.689 34.654 1.00 44.10 O HETATM 2282 O HOH A 468 14.132 32.366 31.816 1.00 45.02 O HETATM 2283 O HOH A 469 33.674 1.910 39.745 1.00 46.08 O HETATM 2284 O HOH A 470 34.004 2.607 44.679 1.00 47.46 O HETATM 2285 O HOH A 471 6.016 13.737 4.781 1.00 44.49 O HETATM 2286 O HOH A 472 28.314 20.911 17.815 1.00 47.81 O HETATM 2287 O HOH A 473 15.154 7.749 50.470 1.00 47.51 O HETATM 2288 O HOH A 474 20.272 21.301 47.731 1.00 48.49 O HETATM 2289 O HOH A 475 26.358 -1.396 45.291 1.00 48.25 O HETATM 2290 O HOH A 476 11.561 9.076 19.495 1.00 48.72 O HETATM 2291 O HOH A 477 31.823 14.773 5.819 1.00 50.72 O HETATM 2292 O HOH A 478 26.426 33.684 36.416 1.00 51.16 O HETATM 2293 O HOH A 479 20.533 -7.117 45.709 1.00 53.96 O HETATM 2294 O HOH A 480 31.816 32.061 27.169 1.00 59.86 O HETATM 2295 O AHOH A 481 33.272 -9.872 35.405 0.60 18.13 O HETATM 2296 O BHOH A 481 33.904 -9.812 36.967 0.40 13.42 O CONECT 3 5 CONECT 5 3 6 CONECT 6 5 7 9 CONECT 7 6 8 13 CONECT 8 7 CONECT 9 6 10 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 CONECT 13 7 CONECT 148 155 CONECT 155 148 156 CONECT 156 155 157 159 CONECT 157 156 158 163 CONECT 158 157 CONECT 159 156 160 CONECT 160 159 161 CONECT 161 160 162 CONECT 162 161 CONECT 163 157 CONECT 316 2024 CONECT 1324 2024 CONECT 1698 1703 CONECT 1703 1698 1704 CONECT 1704 1703 1705 1707 CONECT 1705 1704 1706 1711 CONECT 1706 1705 CONECT 1707 1704 1708 CONECT 1708 1707 1709 CONECT 1709 1708 1710 CONECT 1710 1709 CONECT 1711 1705 CONECT 1873 2024 CONECT 1927 1932 CONECT 1932 1927 1933 CONECT 1933 1932 1934 1936 CONECT 1934 1933 1935 1940 CONECT 1935 1934 CONECT 1936 1933 1937 CONECT 1937 1936 1938 CONECT 1938 1937 1939 CONECT 1939 1938 CONECT 1940 1934 CONECT 2024 316 1324 1873 2119 CONECT 2024 2123 2140 CONECT 2025 2026 2027 2028 2029 CONECT 2026 2025 CONECT 2027 2025 CONECT 2028 2025 CONECT 2029 2025 CONECT 2030 2031 2032 2033 2034 CONECT 2031 2030 CONECT 2032 2030 CONECT 2033 2030 CONECT 2034 2030 CONECT 2035 2036 2037 2038 2039 CONECT 2036 2035 CONECT 2037 2035 CONECT 2038 2035 CONECT 2039 2035 CONECT 2040 2041 2042 CONECT 2041 2040 CONECT 2042 2040 2043 2044 CONECT 2043 2042 CONECT 2044 2042 2045 CONECT 2045 2044 CONECT 2046 2047 2048 CONECT 2047 2046 CONECT 2048 2046 2049 2050 CONECT 2049 2048 CONECT 2050 2048 2051 CONECT 2051 2050 CONECT 2052 2053 2054 CONECT 2053 2052 CONECT 2054 2052 2055 2056 CONECT 2055 2054 CONECT 2056 2054 2057 CONECT 2057 2056 CONECT 2058 2059 2060 CONECT 2059 2058 CONECT 2060 2058 2061 2062 CONECT 2061 2060 CONECT 2062 2060 2063 CONECT 2063 2062 CONECT 2064 2065 2066 CONECT 2065 2064 CONECT 2066 2064 2067 CONECT 2067 2066 2068 CONECT 2068 2067 2069 CONECT 2069 2068 2070 CONECT 2070 2069 CONECT 2071 2072 2073 CONECT 2072 2071 CONECT 2073 2071 2074 CONECT 2074 2073 2075 CONECT 2075 2074 2076 CONECT 2076 2075 2077 CONECT 2077 2076 CONECT 2078 2079 CONECT 2079 2078 2080 CONECT 2080 2079 2081 CONECT 2081 2080 2082 CONECT 2082 2081 2083 CONECT 2083 2082 2084 CONECT 2084 2083 2085 CONECT 2085 2084 2086 CONECT 2086 2085 2087 CONECT 2087 2086 2088 CONECT 2088 2087 2089 CONECT 2089 2088 2090 CONECT 2090 2089 CONECT 2119 2024 CONECT 2123 2024 CONECT 2140 2024 END