USER MOD reduce.3.24.130724 H: found=0, std=0, add=1393, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXYGEN BINDING 05-APR-19 6RA6 TITLE FERRIC MURINE NEUROGLOBIN GLY-LOOP44-47/F106A MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: NEUROGLOBIN,MURINE NEUROGLOBIN MUTANT,NEUROGLOBIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: FOR THE SEGMENT SPEDSL, THERE WAS NO ELECTRONIC COMPND 6 DENSITY, MAKING IT IMPOSSIBLE TO RECONSTRUCT.,FOR THE SEGMENT SPEDSL COMPND 7 THERE WAS NO ELECTRONIC DENSITY, MAKING IT IMPOSSIBLE TO COMPND 8 RECONSTRUCT.,FOR THE SEGMENT SPEDSL, THERE WAS NO ELECTRONIC DENSITY COMPND 9 MAKING IT IMPOSSIBLE TO RECONSTRUCT. SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: NGB; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS KEYWDS HEME PROTEIN, GLOBIN, GAS BINDING, OXYGEN BINDING EXPDTA X-RAY DIFFRACTION AUTHOR C.EXERTIER,I.FREDA,L.C.MONTEMIGLIO,C.SAVINO,B.VALLONE REVDAT 1 11-MAR-20 6RA6 0 JRNL AUTH L.MILAZZO,C.EXERTIER,M.BECUCCI,I.FREDA,L.C.MONTEMIGLIO, JRNL AUTH 2 C.SAVINO,B.VALLONE,G.SMULEVICH JRNL TITL LACK OF ORIENTATION SELECTIVITY OF THE HEME INSERTION IN JRNL TITL 2 MURINE NEUROGLOBIN REVEALED BY RESONANCE RAMAN SPECTROSCOPY. JRNL REF FEBS J. 2020 JRNL REFN ISSN 1742-464X JRNL PMID 32034988 JRNL DOI 10.1111/FEBS.15241 REMARK 2 REMARK 2 RESOLUTION. 2.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0238 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 37.32 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 10869 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.173 REMARK 3 R VALUE (WORKING SET) : 0.171 REMARK 3 FREE R VALUE : 0.219 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 534 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.30 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.36 REMARK 3 REFLECTION IN BIN (WORKING SET) : 773 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.0 REMARK 3 BIN R VALUE (WORKING SET) : 0.2160 REMARK 3 BIN FREE R VALUE SET COUNT : 55 REMARK 3 BIN FREE R VALUE : 0.2490 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1115 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 89 REMARK 3 SOLVENT ATOMS : 65 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 49.83 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.18000 REMARK 3 B22 (A**2) : 0.18000 REMARK 3 B33 (A**2) : -0.58000 REMARK 3 B12 (A**2) : 0.09000 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): 0.210 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.185 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.136 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.727 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.963 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.945 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1416 ; 0.010 ; 0.013 REMARK 3 BOND LENGTHS OTHERS (A): 1318 ; 0.001 ; 0.017 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1952 ; 1.629 ; 1.754 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3042 ; 1.294 ; 1.632 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 168 ; 5.896 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 77 ;27.291 ;19.221 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 228 ;17.887 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;25.894 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 159 ; 0.081 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1582 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 350 ; 0.010 ; 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): 604 ; 4.164 ; 4.861 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 602 ; 4.111 ; 4.842 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 759 ; 5.734 ; 7.226 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 760 ; 5.731 ; 7.239 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 808 ; 4.961 ; 5.442 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 809 ; 4.958 ; 5.446 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 1177 ; 7.051 ; 7.898 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1685 ; 9.988 ;55.874 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1677 ; 9.992 ;55.787 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 : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 6RA6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-APR-19. REMARK 100 THE DEPOSITION ID IS D_1292101546. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 21-MAR-19 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ELETTRA REMARK 200 BEAMLINE : 5.2R REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 S 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10869 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 REMARK 200 RESOLUTION RANGE LOW (A) : 37.320 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 11.40 REMARK 200 R MERGE (I) : 0.11400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 17.3500 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 11.31 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.340 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 6H6I REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 68.53 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.91 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.8 M AMMONIUM SULFATE, 0.1 M TRIS PH REMARK 280 8.5, 1% PEG1000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 25.69700 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 51.39400 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 51.39400 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 25.69700 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2760 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 8210 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -24.0 KCAL/MOL 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 50 REMARK 465 PRO A 51 REMARK 465 GLU A 52 REMARK 465 ASP A 53 REMARK 465 SER A 54 REMARK 465 LEU A 55 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 19 68.67 -153.92 REMARK 500 ASP A 80 117.12 -161.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 365 DISTANCE = 12.76 ANGSTROMS 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 HEM A 201 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 63 NE2 REMARK 620 2 HEM A 201 NA 86.7 REMARK 620 3 HEM A 201 NB 86.8 87.4 REMARK 620 4 HEM A 201 NC 91.0 173.9 86.7 REMARK 620 5 HEM A 201 ND 94.5 92.8 178.7 93.1 REMARK 620 6 HIS A 95 NE2 165.4 92.6 78.6 88.1 100.1 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 201 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 63 NE2 REMARK 620 2 HEM A 201 NA 93.3 REMARK 620 3 HEM A 201 NB 97.6 88.2 REMARK 620 4 HEM A 201 NC 89.8 175.0 87.5 REMARK 620 5 HEM A 201 ND 81.9 92.1 179.4 92.2 REMARK 620 6 HIS A 95 NE2 161.9 77.0 97.4 101.0 83.2 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 HEM A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue TRS A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PEG A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PEG A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PEG A 208 DBREF 6RA6 A 1 43 UNP Q9ER97 NGB_MOUSE 1 43 DBREF 6RA6 A 44 46 PDB 6RA6 6RA6 44 46 DBREF 6RA6 A 47 147 UNP Q9ER97 NGB_MOUSE 48 148 SEQADV 6RA6 HIS A 0 UNP Q9ER97 EXPRESSION TAG SEQADV 6RA6 SER A 54 UNP Q9ER97 CYS 55 ENGINEERED MUTATION SEQADV 6RA6 ALA A 105 UNP Q9ER97 PHE 106 ENGINEERED MUTATION SEQADV 6RA6 SER A 119 UNP Q9ER97 CYS 120 ENGINEERED MUTATION SEQRES 1 A 148 HIS MET GLU ARG PRO GLU SER GLU LEU ILE ARG GLN SER SEQRES 2 A 148 TRP ARG VAL VAL SER ARG SER PRO LEU GLU HIS GLY THR SEQRES 3 A 148 VAL LEU PHE ALA ARG LEU PHE ALA LEU GLU PRO SER LEU SEQRES 4 A 148 LEU PRO LEU PHE GLN GLY GLY GLY GLN PHE SER SER PRO SEQRES 5 A 148 GLU ASP SER LEU SER SER PRO GLU PHE LEU ASP HIS ILE SEQRES 6 A 148 ARG LYS VAL MET LEU VAL ILE ASP ALA ALA VAL THR ASN SEQRES 7 A 148 VAL GLU ASP LEU SER SER LEU GLU GLU TYR LEU THR SER SEQRES 8 A 148 LEU GLY ARG LYS HIS ARG ALA VAL GLY VAL ARG LEU SER SEQRES 9 A 148 SER ALA SER THR VAL GLY GLU SER LEU LEU TYR MET LEU SEQRES 10 A 148 GLU LYS SER LEU GLY PRO ASP PHE THR PRO ALA THR ARG SEQRES 11 A 148 THR ALA TRP SER ARG LEU TYR GLY ALA VAL VAL GLN ALA SEQRES 12 A 148 MET SER ARG GLY TRP HET HEM A 201 86 HET SO4 A 202 5 HET TRS A 203 8 HET PEG A 204 7 HET GOL A 205 6 HET GOL A 206 6 HET PEG A 207 7 HET PEG A 208 7 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM SO4 SULFATE ION HETNAM TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL HETNAM PEG DI(HYDROXYETHYL)ETHER HETNAM GOL GLYCEROL HETSYN HEM HEME HETSYN TRS TRIS BUFFER HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 HEM C34 H32 FE N4 O4 FORMUL 3 SO4 O4 S 2- FORMUL 4 TRS C4 H12 N O3 1+ FORMUL 5 PEG 3(C4 H10 O3) FORMUL 6 GOL 2(C3 H8 O3) FORMUL 10 HOH *65(H2 O) HELIX 1 AA1 GLU A 2 ARG A 18 1 17 HELIX 2 AA2 SER A 19 GLU A 35 1 17 HELIX 3 AA3 PRO A 36 PHE A 42 5 7 HELIX 4 AA4 GLU A 59 ASN A 77 1 19 HELIX 5 AA5 LEU A 81 SER A 83 5 3 HELIX 6 AA6 LEU A 84 VAL A 98 1 15 HELIX 7 AA7 SER A 103 GLY A 121 1 19 HELIX 8 AA8 PRO A 122 PHE A 124 5 3 HELIX 9 AA9 THR A 125 ARG A 145 1 21 LINK NE2AHIS A 63 FE AHEM A 201 1555 1555 1.99 LINK NE2BHIS A 63 FE BHEM A 201 1555 1555 2.14 LINK NE2AHIS A 95 FE AHEM A 201 1555 1555 2.11 LINK NE2BHIS A 95 FE BHEM A 201 1555 1555 1.94 SITE *** AC1 17 LEU A 31 LEU A 38 LEU A 41 PHE A 42 SITE *** AC1 17 PRO A 58 HIS A 63 VAL A 67 VAL A 70 SITE *** AC1 17 TYR A 87 LEU A 91 LYS A 94 HIS A 95 SITE *** AC1 17 VAL A 98 VAL A 100 VAL A 108 HOH A 309 SITE *** AC1 17 HOH A 329 SITE *** AC2 3 ARG A 3 ARG A 10 ARG A 18 SITE *** AC3 6 TRP A 13 SER A 17 PRO A 20 ARG A 65 SITE *** AC3 6 ASP A 72 HOH A 312 SITE *** AC4 2 TYR A 87 HOH A 311 SITE *** AC5 3 HIS A 0 VAL A 78 HOH A 306 SITE *** AC6 4 ARG A 30 ALA A 33 TYR A 114 LYS A 118 SITE *** AC7 3 ARG A 30 TYR A 114 LYS A 118 SITE *** AC8 3 ARG A 101 LEU A 102 SER A 103 CRYST1 74.587 74.587 77.091 90.00 90.00 120.00 P 31 2 1 6 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 0.013407 0.007741 0.000000 0.00000 SCALE2 0.000000 0.015481 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012972 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 63 HIS HE2A: A 63 HIS NE2A: A 201 HEMFE A:(H bumps) USER MOD NoAdj-H: A 63 HIS HE2B: A 63 HIS NE2B: A 201 HEMFE B:(H bumps) USER MOD NoAdj-H: A 95 HIS HE2A: A 95 HIS NE2A: A 201 HEMFE A:(H bumps) USER MOD NoAdj-H: A 95 HIS HE2B: A 95 HIS NE2B: A 201 HEMFE B:(H bumps) USER MOD Set 1.1: A 87 TYR OH : rot 120:sc= 0 USER MOD Set 1.2: A 201 HEM CMAB:methyl 150:sc= -0.327 (180deg=-0.284) USER MOD Set 1.3: A 201 HEM CMDA:methyl 150:sc= -0.611 (180deg=-0.302) USER MOD Set 2.1: A 125 THR OG1 : rot 180:sc= 0.718 USER MOD Set 2.2: A 128 THR OG1 : rot 81:sc= 0.569 USER MOD Set 3.1: A 118 LYS NZ A:NH3+ 143:sc= -0.317 (180deg=-1.92!) USER MOD Set 3.2: A 207 PEG O1 : rot 180:sc= 0 USER MOD Set 4.1: A 23 HIS :FLIP no HD1:sc= -0.964 F(o=-3.2!,f=-1.9) USER MOD Set 4.2: A 119 SER OG : rot 92:sc= -0.92 USER MOD Set 5.1: A 17 SER OG : rot 83:sc= 1.45 USER MOD Set 5.2: A 203 TRS O2 : rot 127:sc= 0.0814 USER MOD Single : A 0 HIS A: no HD1:sc= -0.186 X(o=-0.19,f=-0.022) USER MOD Single : A 0 HIS B: no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 0 HIS N A:NH3+ 174:sc= -0.0881 (180deg=-0.131) USER MOD Single : A 0 HIS N B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -121:sc= -0.0325 (180deg=-0.803) USER MOD Single : A 6 SER OG : rot 78:sc= 0.908 USER MOD Single : A 11 GLN : amide:sc= -0.0205 K(o=-0.021,f=-0.89) USER MOD Single : A 12 SER OG : rot -85:sc= 1.89 USER MOD Single : A 19 SER OG : rot -157:sc= 1.86 USER MOD Single : A 25 THR OG1A: rot 79:sc= 0.896 USER MOD Single : A 25 THR OG1B: rot -39:sc= 0.331 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN B: amide:sc= -0.0038 K(o=-0.0038,f=-1.3!) USER MOD Single : A 47 GLN : amide:sc=-0.00433 K(o=-0.0043,f=-0.89) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -22:sc= 0.146 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= 0.141 (180deg=-0.254) USER MOD Single : A 68 MET CE :methyl 164:sc= -0.138 (180deg=-0.156) USER MOD Single : A 76 THR OG1 : rot 81:sc= 0.0965 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 82 SER OG : rot -92:sc= 0.0796 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 90:sc= 0.112 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 150:sc= -0.0208 USER MOD Single : A 104 SER OG : rot -96:sc= 1.14 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 107 THR OG1 : rot 170:sc= 0.566 USER MOD Single : A 111 SER OG : rot 77:sc= 0.521 USER MOD Single : A 114 TYR OH : rot 152:sc= 0 USER MOD Single : A 115 MET CE A:methyl -122:sc= -0.216 (180deg=-0.811) USER MOD Single : A 115 MET CE B:methyl -153:sc= -0.342 (180deg=-1.06) USER MOD Single : A 118 LYS NZ B:NH3+ -145:sc= -4.15! (180deg=-5.07!) USER MOD Single : A 130 THR OG1 : rot 76:sc= 0.111 USER MOD Single : A 133 SER OG : rot 68:sc= 0.289 USER MOD Single : A 136 TYR OH : rot 175:sc= -0.0808 USER MOD Single : A 141 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.2!) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 144 SER OG : rot -44:sc= 0.257 USER MOD Single : A 201 HEM CMAA:methyl 150:sc= -0.459 (180deg=-0.459) USER MOD Single : A 201 HEM CMBA:methyl 150:sc= -4.23! (180deg=-4.23!) USER MOD Single : A 201 HEM CMBB:methyl -30:sc= -8.81! (180deg=-9.71!) USER MOD Single : A 201 HEM CMCA:methyl 150:sc= -4.29! (180deg=-4.29!) USER MOD Single : A 201 HEM CMCB:methyl -30:sc= -3.57! (180deg=-3.99!) USER MOD Single : A 201 HEM CMDB:methyl 150:sc= -1.4 (180deg=-1.4) USER MOD Single : A 203 TRS N :NH3+ -145:sc= 0.152 (180deg=0.0158) USER MOD Single : A 203 TRS O1 : rot -170:sc= 0.107 USER MOD Single : A 203 TRS O3 : rot 180:sc= 0.0591 USER MOD Single : A 204 PEG O1 : rot 180:sc= 0 USER MOD Single : A 204 PEG O4 : rot 180:sc= 0 USER MOD Single : A 205 GOL O1 : rot -10:sc= 0.107 USER MOD Single : A 205 GOL O2 : rot 180:sc= 0 USER MOD Single : A 205 GOL O3 : rot 109:sc= 0.548 USER MOD Single : A 206 GOL O1 : rot -67:sc= -0.29 USER MOD Single : A 206 GOL O2 : rot 180:sc= 0 USER MOD Single : A 206 GOL O3 : rot 180:sc= 0.257! USER MOD Single : A 207 PEG O4 : rot 180:sc= 0.00438 USER MOD Single : A 208 PEG O1 : rot 140:sc= 0 USER MOD Single : A 208 PEG O4 : rot 170:sc= 0.0162 USER MOD ----------------------------------------------------------------- ATOM 1 N AHIS A 0 -39.100 -12.711 17.015 0.70 77.97 N ATOM 2 N BHIS A 0 -40.466 -12.536 17.851 0.30 48.95 N ATOM 3 CA AHIS A 0 -40.324 -13.563 17.140 0.70 70.43 C ATOM 4 CA BHIS A 0 -40.182 -13.797 17.103 0.30 48.31 C ATOM 5 C AHIS A 0 -41.235 -13.366 15.904 0.70 65.01 C ATOM 6 C BHIS A 0 -41.294 -14.056 16.077 0.30 50.64 C ATOM 7 O AHIS A 0 -42.141 -12.501 15.948 0.70 67.45 O ATOM 8 O BHIS A 0 -42.451 -14.349 16.487 0.30 47.25 O ATOM 9 CB AHIS A 0 -41.003 -13.281 18.500 0.70 75.70 C ATOM 10 CB BHIS A 0 -40.010 -14.969 18.073 0.30 49.88 C ATOM 11 CG AHIS A 0 -41.141 -11.828 18.845 0.70 78.21 C ATOM 12 CG BHIS A 0 -38.646 -15.060 18.667 0.30 49.93 C ATOM 13 ND1AHIS A 0 -42.347 -11.154 18.751 0.70 76.35 N ATOM 14 ND1BHIS A 0 -37.818 -16.145 18.449 0.30 50.61 N ATOM 15 CD2AHIS A 0 -40.239 -10.922 19.287 0.70 81.70 C ATOM 16 CD2BHIS A 0 -37.966 -14.214 19.469 0.30 48.15 C ATOM 17 CE1AHIS A 0 -42.179 -9.899 19.110 0.70 81.20 C ATOM 18 CE1BHIS A 0 -36.683 -15.958 19.091 0.30 52.77 C ATOM 19 NE2AHIS A 0 -40.895 -9.732 19.443 0.70 81.57 N ATOM 20 NE2BHIS A 0 -36.750 -14.780 19.719 0.30 50.11 N ATOM 0 H1 AHIS A 0 -38.624 -12.762 17.766 0.70 48.95 H new ATOM 0 H1 BHIS A 0 -39.819 -12.390 18.444 0.30 48.95 H new ATOM 0 H2 AHIS A 0 -38.607 -12.998 16.332 0.70 48.95 H new ATOM 0 H2 BHIS A 0 -40.504 -11.854 17.280 0.30 48.95 H new ATOM 0 H3 AHIS A 0 -39.340 -11.866 16.873 0.70 48.95 H new ATOM 0 H3 BHIS A 0 -41.245 -12.611 18.275 0.30 48.95 H new ATOM 0 HA AHIS A 0 -40.099 -14.506 17.142 0.70 48.31 H new ATOM 0 HA BHIS A 0 -39.347 -13.704 16.618 0.30 48.31 H new ATOM 0 HB2AHIS A 0 -41.885 -13.685 18.497 0.70 49.88 H new ATOM 0 HB2BHIS A 0 -40.660 -14.885 18.788 0.30 49.88 H new ATOM 0 HB3AHIS A 0 -40.493 -13.719 19.199 0.70 49.88 H new ATOM 0 HB3BHIS A 0 -40.207 -15.796 17.606 0.30 49.88 H new ATOM 0 HD2AHIS A 0 -39.338 -11.079 19.454 0.70 48.15 H new ATOM 0 HD2BHIS A 0 -38.270 -13.396 19.792 0.30 48.15 H new ATOM 0 HE1AHIS A 0 -42.838 -9.243 19.129 0.70 52.77 H new ATOM 0 HE1BHIS A 0 -35.961 -16.544 19.105 0.30 52.77 H new ATOM 0 HE2AHIS A 0 -40.540 -8.996 19.711 0.70 50.11 H new ATOM 0 HE2BHIS A 0 -36.128 -14.435 20.202 0.30 50.11 H new ATOM 21 N MET A 1 -40.935 -14.045 14.792 1.00 54.31 N ATOM 22 CA MET A 1 -41.902 -14.276 13.690 1.00 47.50 C ATOM 23 C MET A 1 -42.264 -15.773 13.617 1.00 40.05 C ATOM 24 O MET A 1 -41.357 -16.600 13.483 1.00 40.93 O ATOM 25 CB MET A 1 -41.348 -13.854 12.332 1.00 49.41 C ATOM 26 CG MET A 1 -42.475 -13.816 11.331 1.00 57.42 C ATOM 27 SD MET A 1 -42.125 -12.974 9.826 1.00 64.71 S ATOM 28 CE MET A 1 -42.135 -11.270 10.350 1.00 57.70 C ATOM 0 H AMET A 1 -40.161 -14.390 14.648 0.70 54.31 H new ATOM 0 H BMET A 1 -40.129 -13.905 14.526 0.30 54.31 H new ATOM 0 HA MET A 1 -42.684 -13.736 13.885 1.00 47.50 H new ATOM 0 HB2 MET A 1 -40.929 -12.982 12.398 1.00 49.41 H new ATOM 0 HB3 MET A 1 -40.663 -14.477 12.042 1.00 49.41 H new ATOM 0 HG2 MET A 1 -42.731 -14.728 11.121 1.00 57.42 H new ATOM 0 HG3 MET A 1 -43.243 -13.395 11.748 1.00 57.42 H new ATOM 0 HE1 MET A 1 -42.808 -10.782 9.850 1.00 57.70 H new ATOM 0 HE2 MET A 1 -42.339 -11.224 11.297 1.00 57.70 H new ATOM 0 HE3 MET A 1 -41.263 -10.876 10.188 1.00 57.70 H new ATOM 29 N GLU A 2 -43.558 -16.088 13.646 1.00 37.74 N ATOM 30 CA GLU A 2 -44.130 -17.468 13.658 1.00 41.52 C ATOM 31 C GLU A 2 -43.984 -18.098 12.267 1.00 43.53 C ATOM 32 O GLU A 2 -43.680 -17.390 11.290 1.00 42.48 O ATOM 33 CB GLU A 2 -45.576 -17.404 14.172 1.00 43.79 C ATOM 34 CG GLU A 2 -45.669 -17.195 15.691 1.00 39.63 C ATOM 35 CD GLU A 2 -47.073 -17.002 16.212 1.00 44.34 C ATOM 36 OE1 GLU A 2 -47.977 -16.884 15.360 1.00 41.21 O ATOM 37 OE2 GLU A 2 -47.259 -16.900 17.472 1.00 48.42 O ATOM 0 H GLU A 2 -44.169 -15.483 13.660 1.00 37.74 H new ATOM 0 HA GLU A 2 -43.645 -18.049 14.265 1.00 41.52 H new ATOM 0 HB2 GLU A 2 -46.041 -16.681 13.723 1.00 43.79 H new ATOM 0 HB3 GLU A 2 -46.034 -18.226 13.936 1.00 43.79 H new ATOM 0 HG2 GLU A 2 -45.273 -17.961 16.136 1.00 39.63 H new ATOM 0 HG3 GLU A 2 -45.137 -16.421 15.933 1.00 39.63 H new ATOM 38 N ARG A 3 -44.064 -19.430 12.252 1.00 42.84 N ATOM 39 CA ARG A 3 -43.840 -20.278 11.053 1.00 39.31 C ATOM 40 C ARG A 3 -44.631 -19.796 9.834 1.00 39.51 C ATOM 41 O ARG A 3 -43.996 -19.567 8.786 1.00 40.32 O ATOM 42 CB ARG A 3 -44.180 -21.738 11.369 1.00 39.80 C ATOM 43 CG ARG A 3 -43.893 -22.704 10.229 1.00 44.40 C ATOM 44 CD ARG A 3 -43.922 -24.153 10.679 1.00 45.84 C ATOM 45 NE ARG A 3 -42.810 -24.482 11.560 1.00 56.15 N ATOM 46 CZ ARG A 3 -42.790 -25.517 12.392 1.00 59.71 C ATOM 47 NH1 ARG A 3 -43.829 -26.332 12.459 1.00 58.40 N ATOM 48 NH2 ARG A 3 -41.733 -25.733 13.153 1.00 59.99 N ATOM 0 H ARG A 3 -44.255 -19.887 12.955 1.00 42.84 H new ATOM 0 HA ARG A 3 -42.900 -20.207 10.824 1.00 39.31 H new ATOM 0 HB2 ARG A 3 -43.676 -22.016 12.150 1.00 39.80 H new ATOM 0 HB3 ARG A 3 -45.120 -21.798 11.602 1.00 39.80 H new ATOM 0 HG2 ARG A 3 -44.547 -22.573 9.525 1.00 44.40 H new ATOM 0 HG3 ARG A 3 -43.023 -22.503 9.849 1.00 44.40 H new ATOM 0 HD2 ARG A 3 -44.758 -24.330 11.138 1.00 45.84 H new ATOM 0 HD3 ARG A 3 -43.897 -24.731 9.901 1.00 45.84 H new ATOM 0 HE ARG A 3 -42.119 -23.971 11.540 1.00 56.15 H new ATOM 0 HH11 ARG A 3 -44.518 -26.192 11.964 1.00 58.40 H new ATOM 0 HH12 ARG A 3 -43.816 -27.002 12.998 1.00 58.40 H new ATOM 0 HH21 ARG A 3 -41.057 -25.203 13.110 1.00 59.99 H new ATOM 0 HH22 ARG A 3 -41.721 -26.403 13.692 1.00 59.99 H new ATOM 49 N PRO A 4 -45.970 -19.628 9.900 1.00 39.02 N ATOM 50 CA PRO A 4 -46.737 -19.316 8.694 1.00 42.58 C ATOM 51 C PRO A 4 -46.141 -18.062 8.023 1.00 44.98 C ATOM 52 O PRO A 4 -45.843 -18.123 6.855 1.00 40.58 O ATOM 53 CB PRO A 4 -48.199 -19.173 9.162 1.00 42.28 C ATOM 54 CG PRO A 4 -48.240 -19.931 10.521 1.00 41.74 C ATOM 55 CD PRO A 4 -46.833 -19.835 11.080 1.00 40.91 C ATOM 0 HA PRO A 4 -46.700 -20.001 8.009 1.00 42.58 H new ATOM 0 HB2 PRO A 4 -48.448 -18.241 9.268 1.00 42.28 H new ATOM 0 HB3 PRO A 4 -48.816 -19.560 8.521 1.00 42.28 H new ATOM 0 HG2 PRO A 4 -48.884 -19.530 11.125 1.00 41.74 H new ATOM 0 HG3 PRO A 4 -48.504 -20.856 10.397 1.00 41.74 H new ATOM 0 HD2 PRO A 4 -46.753 -19.100 11.708 1.00 40.91 H new ATOM 0 HD3 PRO A 4 -46.588 -20.643 11.557 1.00 40.91 H new ATOM 56 N GLU A 5 -45.915 -16.983 8.777 1.00 39.61 N ATOM 57 CA GLU A 5 -45.423 -15.696 8.226 1.00 37.03 C ATOM 58 C GLU A 5 -43.988 -15.888 7.724 1.00 40.19 C ATOM 59 O GLU A 5 -43.675 -15.377 6.627 1.00 41.48 O ATOM 60 CB GLU A 5 -45.563 -14.580 9.254 1.00 38.54 C ATOM 61 CG GLU A 5 -46.996 -14.068 9.391 1.00 44.37 C ATOM 62 CD GLU A 5 -47.938 -14.927 10.238 1.00 44.45 C ATOM 63 OE1 GLU A 5 -47.477 -15.911 10.820 1.00 42.94 O ATOM 64 OE2 GLU A 5 -49.126 -14.576 10.335 1.00 45.14 O ATOM 0 H GLU A 5 -46.041 -16.969 9.628 1.00 39.61 H new ATOM 0 HA GLU A 5 -45.964 -15.422 7.469 1.00 37.03 H new ATOM 0 HB2 GLU A 5 -45.256 -14.901 10.116 1.00 38.54 H new ATOM 0 HB3 GLU A 5 -44.984 -13.843 9.004 1.00 38.54 H new ATOM 0 HG2 GLU A 5 -46.967 -13.177 9.774 1.00 44.37 H new ATOM 0 HG3 GLU A 5 -47.376 -13.982 8.503 1.00 44.37 H new ATOM 65 N SER A 6 -43.173 -16.645 8.455 1.00 34.74 N ATOM 66 CA SER A 6 -41.777 -16.944 8.073 1.00 37.59 C ATOM 67 C SER A 6 -41.764 -17.620 6.696 1.00 42.22 C ATOM 68 O SER A 6 -40.890 -17.271 5.884 1.00 44.34 O ATOM 69 CB SER A 6 -41.102 -17.789 9.127 1.00 39.99 C ATOM 70 OG SER A 6 -41.082 -17.100 10.383 1.00 47.21 O ATOM 0 H SER A 6 -43.411 -17.008 9.198 1.00 34.74 H new ATOM 0 HA SER A 6 -41.271 -16.119 8.012 1.00 37.59 H new ATOM 0 HB2 SER A 6 -41.571 -18.633 9.222 1.00 39.99 H new ATOM 0 HB3 SER A 6 -40.196 -17.997 8.851 1.00 39.99 H new ATOM 0 HG SER A 6 -41.840 -17.148 10.741 1.00 47.21 H new ATOM 71 N GLU A 7 -42.698 -18.560 6.479 1.00 38.64 N ATOM 72 CA GLU A 7 -42.868 -19.357 5.238 1.00 42.00 C ATOM 73 C GLU A 7 -43.340 -18.468 4.073 1.00 36.08 C ATOM 74 O GLU A 7 -42.859 -18.679 2.957 1.00 41.30 O ATOM 75 CB GLU A 7 -43.795 -20.550 5.495 1.00 42.84 C ATOM 76 CG GLU A 7 -43.077 -21.733 6.139 1.00 49.86 C ATOM 77 CD GLU A 7 -41.982 -22.315 5.257 1.00 54.83 C ATOM 78 OE1 GLU A 7 -40.820 -22.382 5.714 1.00 57.23 O ATOM 79 OE2 GLU A 7 -42.279 -22.632 4.077 1.00 80.17 O ATOM 0 H GLU A 7 -43.280 -18.763 7.078 1.00 38.64 H new ATOM 0 HA GLU A 7 -42.008 -19.719 4.972 1.00 42.00 H new ATOM 0 HB2 GLU A 7 -44.524 -20.269 6.069 1.00 42.84 H new ATOM 0 HB3 GLU A 7 -44.188 -20.835 4.655 1.00 42.84 H new ATOM 0 HG2 GLU A 7 -42.690 -21.450 6.982 1.00 49.86 H new ATOM 0 HG3 GLU A 7 -43.724 -22.426 6.342 1.00 49.86 H new ATOM 80 N LEU A 8 -44.235 -17.514 4.305 1.00 40.34 N ATOM 81 CA LEU A 8 -44.660 -16.532 3.264 1.00 41.12 C ATOM 82 C LEU A 8 -43.437 -15.728 2.810 1.00 37.89 C ATOM 83 O LEU A 8 -43.219 -15.572 1.598 1.00 39.38 O ATOM 84 CB LEU A 8 -45.755 -15.632 3.834 1.00 42.03 C ATOM 85 CG LEU A 8 -47.114 -16.317 4.012 1.00 44.88 C ATOM 86 CD1 LEU A 8 -48.091 -15.372 4.692 1.00 41.56 C ATOM 87 CD2 LEU A 8 -47.668 -16.805 2.663 1.00 40.97 C ATOM 0 H LEU A 8 -44.622 -17.404 5.065 1.00 40.34 H new ATOM 0 HA LEU A 8 -45.026 -16.988 2.490 1.00 41.12 H new ATOM 0 HB2 LEU A 8 -45.462 -15.291 4.694 1.00 42.03 H new ATOM 0 HB3 LEU A 8 -45.866 -14.867 3.248 1.00 42.03 H new ATOM 0 HG LEU A 8 -46.994 -17.096 4.578 1.00 44.88 H new ATOM 0 HD11 LEU A 8 -48.947 -15.814 4.800 1.00 41.56 H new ATOM 0 HD12 LEU A 8 -47.745 -15.120 5.563 1.00 41.56 H new ATOM 0 HD13 LEU A 8 -48.205 -14.577 4.148 1.00 41.56 H new ATOM 0 HD21 LEU A 8 -48.527 -17.234 2.802 1.00 40.97 H new ATOM 0 HD22 LEU A 8 -47.778 -16.049 2.065 1.00 40.97 H new ATOM 0 HD23 LEU A 8 -47.049 -17.440 2.270 1.00 40.97 H new ATOM 88 N ILE A 9 -42.601 -15.302 3.747 1.00 39.47 N ATOM 89 CA ILE A 9 -41.351 -14.577 3.402 1.00 38.59 C ATOM 90 C ILE A 9 -40.446 -15.528 2.606 1.00 40.13 C ATOM 91 O ILE A 9 -39.972 -15.126 1.519 1.00 42.14 O ATOM 92 CB ILE A 9 -40.707 -13.974 4.665 1.00 38.47 C ATOM 93 CG1 ILE A 9 -41.501 -12.750 5.121 1.00 37.79 C ATOM 94 CG2 ILE A 9 -39.243 -13.643 4.433 1.00 39.06 C ATOM 95 CD1 ILE A 9 -41.194 -12.311 6.496 1.00 40.50 C ATOM 0 H ILE A 9 -42.726 -15.415 4.590 1.00 39.47 H new ATOM 0 HA ILE A 9 -41.528 -13.812 2.832 1.00 38.59 H new ATOM 0 HB ILE A 9 -40.735 -14.634 5.375 1.00 38.47 H new ATOM 0 HG12 ILE A 9 -41.325 -12.017 4.511 1.00 37.79 H new ATOM 0 HG13 ILE A 9 -42.448 -12.950 5.059 1.00 37.79 H new ATOM 0 HG21 ILE A 9 -38.864 -13.266 5.242 1.00 39.06 H new ATOM 0 HG22 ILE A 9 -38.762 -14.451 4.197 1.00 39.06 H new ATOM 0 HG23 ILE A 9 -39.167 -13.000 3.711 1.00 39.06 H new ATOM 0 HD11 ILE A 9 -41.732 -11.534 6.716 1.00 40.50 H new ATOM 0 HD12 ILE A 9 -41.394 -13.029 7.117 1.00 40.50 H new ATOM 0 HD13 ILE A 9 -40.254 -12.081 6.560 1.00 40.50 H new ATOM 96 N ARG A 10 -40.198 -16.742 3.112 1.00 42.81 N ATOM 97 CA ARG A 10 -39.247 -17.693 2.473 1.00 40.50 C ATOM 98 C ARG A 10 -39.703 -18.010 1.047 1.00 41.99 C ATOM 99 O ARG A 10 -38.871 -17.993 0.156 1.00 39.56 O ATOM 100 CB ARG A 10 -39.118 -18.976 3.279 1.00 43.63 C ATOM 101 CG ARG A 10 -38.274 -18.831 4.538 1.00 49.02 C ATOM 102 CD ARG A 10 -38.500 -20.033 5.432 1.00 53.04 C ATOM 103 NE ARG A 10 -37.979 -19.840 6.768 1.00 55.92 N ATOM 104 CZ ARG A 10 -38.496 -20.365 7.873 1.00 55.50 C ATOM 105 NH1 ARG A 10 -39.584 -21.121 7.815 1.00 51.42 N ATOM 106 NH2 ARG A 10 -37.911 -20.127 9.041 1.00 55.09 N ATOM 0 H ARG A 10 -40.568 -17.043 3.828 1.00 42.81 H new ATOM 0 HA ARG A 10 -38.374 -17.271 2.445 1.00 40.50 H new ATOM 0 HB2 ARG A 10 -40.004 -19.282 3.528 1.00 43.63 H new ATOM 0 HB3 ARG A 10 -38.728 -19.663 2.716 1.00 43.63 H new ATOM 0 HG2 ARG A 10 -37.335 -18.760 4.304 1.00 49.02 H new ATOM 0 HG3 ARG A 10 -38.512 -18.016 5.007 1.00 49.02 H new ATOM 0 HD2 ARG A 10 -39.451 -20.219 5.483 1.00 53.04 H new ATOM 0 HD3 ARG A 10 -38.079 -20.811 5.034 1.00 53.04 H new ATOM 0 HE ARG A 10 -37.280 -19.347 6.853 1.00 55.92 H new ATOM 0 HH11 ARG A 10 -39.961 -21.275 7.057 1.00 51.42 H new ATOM 0 HH12 ARG A 10 -39.913 -21.457 8.535 1.00 51.42 H new ATOM 0 HH21 ARG A 10 -37.205 -19.637 9.076 1.00 55.09 H new ATOM 0 HH22 ARG A 10 -38.238 -20.462 9.762 1.00 55.09 H new ATOM 107 N GLN A 11 -40.992 -18.245 0.849 1.00 39.29 N ATOM 108 CA GLN A 11 -41.546 -18.651 -0.468 1.00 48.72 C ATOM 109 C GLN A 11 -41.428 -17.494 -1.465 1.00 46.13 C ATOM 110 O GLN A 11 -40.995 -17.753 -2.615 1.00 41.85 O ATOM 111 CB GLN A 11 -43.019 -19.061 -0.354 1.00 45.84 C ATOM 112 CG GLN A 11 -43.208 -20.407 0.308 1.00 58.42 C ATOM 113 CD GLN A 11 -44.627 -20.636 0.777 1.00 63.99 C ATOM 114 OE1 GLN A 11 -45.521 -19.803 0.595 1.00 67.31 O ATOM 115 NE2 GLN A 11 -44.839 -21.791 1.379 1.00 70.45 N ATOM 0 H GLN A 11 -41.585 -18.177 1.469 1.00 39.29 H new ATOM 0 HA GLN A 11 -41.034 -19.414 -0.779 1.00 48.72 H new ATOM 0 HB2 GLN A 11 -43.499 -18.387 0.152 1.00 45.84 H new ATOM 0 HB3 GLN A 11 -43.413 -19.084 -1.240 1.00 45.84 H new ATOM 0 HG2 GLN A 11 -42.961 -21.107 -0.316 1.00 58.42 H new ATOM 0 HG3 GLN A 11 -42.606 -20.477 1.065 1.00 58.42 H new ATOM 0 HE21 GLN A 11 -44.190 -22.345 1.487 1.00 70.45 H new ATOM 0 HE22 GLN A 11 -45.626 -21.990 1.663 1.00 70.45 H new ATOM 116 N SER A 12 -41.910 -16.307 -1.064 1.00 39.30 N ATOM 117 CA SER A 12 -41.877 -15.059 -1.871 1.00 41.80 C ATOM 118 C SER A 12 -40.411 -14.778 -2.241 1.00 40.02 C ATOM 119 O SER A 12 -40.111 -14.549 -3.429 1.00 39.88 O ATOM 120 CB SER A 12 -42.553 -13.919 -1.120 1.00 38.96 C ATOM 121 OG SER A 12 -41.928 -13.716 0.146 1.00 44.81 O ATOM 0 H SER A 12 -42.277 -16.197 -0.294 1.00 39.30 H new ATOM 0 HA SER A 12 -42.381 -15.154 -2.694 1.00 41.80 H new ATOM 0 HB2 SER A 12 -42.505 -13.105 -1.645 1.00 38.96 H new ATOM 0 HB3 SER A 12 -43.494 -14.120 -0.994 1.00 38.96 H new ATOM 0 HG SER A 12 -42.262 -14.241 0.711 1.00 44.81 H new ATOM 122 N TRP A 13 -39.512 -14.924 -1.274 1.00 37.65 N ATOM 123 CA TRP A 13 -38.071 -14.671 -1.485 1.00 38.82 C ATOM 124 C TRP A 13 -37.459 -15.664 -2.471 1.00 40.50 C ATOM 125 O TRP A 13 -36.487 -15.247 -3.144 1.00 37.26 O ATOM 126 CB TRP A 13 -37.281 -14.679 -0.173 1.00 37.47 C ATOM 127 CG TRP A 13 -35.863 -14.219 -0.364 1.00 38.77 C ATOM 128 CD1 TRP A 13 -34.735 -14.953 -0.177 1.00 40.99 C ATOM 129 CD2 TRP A 13 -35.421 -12.955 -0.905 1.00 39.95 C ATOM 130 NE1 TRP A 13 -33.624 -14.203 -0.452 1.00 43.45 N ATOM 131 CE2 TRP A 13 -34.014 -12.982 -0.930 1.00 42.52 C ATOM 132 CE3 TRP A 13 -36.070 -11.772 -1.274 1.00 36.63 C ATOM 133 CZ2 TRP A 13 -33.254 -11.889 -1.348 1.00 41.81 C ATOM 134 CZ3 TRP A 13 -35.328 -10.693 -1.701 1.00 38.61 C ATOM 135 CH2 TRP A 13 -33.938 -10.748 -1.719 1.00 39.79 C ATOM 0 H TRP A 13 -39.710 -15.172 -0.475 1.00 37.65 H new ATOM 0 HA TRP A 13 -38.008 -13.781 -1.866 1.00 38.82 H new ATOM 0 HB2 TRP A 13 -37.722 -14.104 0.472 1.00 37.47 H new ATOM 0 HB3 TRP A 13 -37.282 -15.575 0.198 1.00 37.47 H new ATOM 0 HD1 TRP A 13 -34.720 -15.841 0.099 1.00 40.99 H new ATOM 0 HE1 TRP A 13 -32.810 -14.459 -0.342 1.00 43.45 H new ATOM 0 HE3 TRP A 13 -36.997 -11.714 -1.231 1.00 36.63 H new ATOM 0 HZ2 TRP A 13 -32.325 -11.927 -1.376 1.00 41.81 H new ATOM 0 HZ3 TRP A 13 -35.761 -9.919 -1.980 1.00 38.61 H new ATOM 0 HH2 TRP A 13 -33.458 -9.998 -1.987 1.00 39.79 H new ATOM 136 N ARG A 14 -37.913 -16.923 -2.503 1.00 40.19 N ATOM 137 CA ARG A 14 -37.429 -17.904 -3.506 1.00 44.63 C ATOM 138 C ARG A 14 -37.790 -17.399 -4.906 1.00 42.00 C ATOM 139 O ARG A 14 -36.970 -17.584 -5.803 1.00 45.51 O ATOM 140 CB ARG A 14 -38.038 -19.298 -3.319 1.00 54.80 C ATOM 141 CG ARG A 14 -37.267 -20.209 -2.373 1.00 70.08 C ATOM 142 CD ARG A 14 -37.771 -21.660 -2.376 1.00 77.85 C ATOM 143 NE ARG A 14 -38.969 -21.903 -1.555 1.00 76.35 N ATOM 144 CZ ARG A 14 -38.989 -22.034 -0.219 1.00 75.18 C ATOM 145 NH1 ARG A 14 -37.879 -21.935 0.507 1.00 73.03 N ATOM 146 NH2 ARG A 14 -40.141 -22.258 0.388 1.00 66.62 N ATOM 0 H ARG A 14 -38.500 -17.235 -1.957 1.00 40.19 H new ATOM 0 HA ARG A 14 -36.469 -17.985 -3.390 1.00 44.63 H new ATOM 0 HB2 ARG A 14 -38.944 -19.200 -2.987 1.00 54.80 H new ATOM 0 HB3 ARG A 14 -38.099 -19.730 -4.186 1.00 54.80 H new ATOM 0 HG2 ARG A 14 -36.329 -20.199 -2.619 1.00 70.08 H new ATOM 0 HG3 ARG A 14 -37.328 -19.854 -1.472 1.00 70.08 H new ATOM 0 HD2 ARG A 14 -37.964 -21.920 -3.291 1.00 77.85 H new ATOM 0 HD3 ARG A 14 -37.057 -22.237 -2.062 1.00 77.85 H new ATOM 0 HE ARG A 14 -39.721 -21.967 -1.967 1.00 76.35 H new ATOM 0 HH11 ARG A 14 -37.125 -21.784 0.122 1.00 73.03 H new ATOM 0 HH12 ARG A 14 -37.915 -22.022 1.362 1.00 73.03 H new ATOM 0 HH21 ARG A 14 -40.865 -22.318 -0.072 1.00 66.62 H new ATOM 0 HH22 ARG A 14 -40.167 -22.344 1.243 1.00 66.62 H new ATOM 147 N VAL A 15 -39.004 -16.867 -5.095 1.00 39.65 N ATOM 148 CA VAL A 15 -39.454 -16.294 -6.397 1.00 41.71 C ATOM 149 C VAL A 15 -38.504 -15.151 -6.749 1.00 44.54 C ATOM 150 O VAL A 15 -37.938 -15.181 -7.858 1.00 41.45 O ATOM 151 CB VAL A 15 -40.928 -15.853 -6.379 1.00 48.16 C ATOM 152 CG1 VAL A 15 -41.371 -15.191 -7.686 1.00 40.05 C ATOM 153 CG2 VAL A 15 -41.830 -17.038 -6.068 1.00 47.13 C ATOM 0 H VAL A 15 -39.599 -16.823 -4.476 1.00 39.65 H new ATOM 0 HA VAL A 15 -39.418 -16.978 -7.084 1.00 41.71 H new ATOM 0 HB VAL A 15 -41.008 -15.184 -5.681 1.00 48.16 H new ATOM 0 HG11 VAL A 15 -42.304 -14.934 -7.619 1.00 40.05 H new ATOM 0 HG12 VAL A 15 -40.830 -14.403 -7.849 1.00 40.05 H new ATOM 0 HG13 VAL A 15 -41.260 -15.816 -8.419 1.00 40.05 H new ATOM 0 HG21 VAL A 15 -42.755 -16.747 -6.060 1.00 47.13 H new ATOM 0 HG22 VAL A 15 -41.712 -17.721 -6.746 1.00 47.13 H new ATOM 0 HG23 VAL A 15 -41.598 -17.402 -5.199 1.00 47.13 H new ATOM 154 N VAL A 16 -38.203 -14.267 -5.795 1.00 40.51 N ATOM 155 CA VAL A 16 -37.338 -13.088 -6.089 1.00 40.31 C ATOM 156 C VAL A 16 -35.932 -13.576 -6.425 1.00 43.13 C ATOM 157 O VAL A 16 -35.360 -13.062 -7.416 1.00 40.67 O ATOM 158 CB VAL A 16 -37.328 -12.065 -4.941 1.00 37.69 C ATOM 159 CG1 VAL A 16 -36.345 -10.949 -5.225 1.00 40.87 C ATOM 160 CG2 VAL A 16 -38.715 -11.519 -4.730 1.00 38.88 C ATOM 0 H VAL A 16 -38.478 -14.319 -4.982 1.00 40.51 H new ATOM 0 HA VAL A 16 -37.706 -12.618 -6.853 1.00 40.31 H new ATOM 0 HB VAL A 16 -37.043 -12.510 -4.128 1.00 37.69 H new ATOM 0 HG11 VAL A 16 -36.354 -10.315 -4.491 1.00 40.87 H new ATOM 0 HG12 VAL A 16 -35.454 -11.319 -5.322 1.00 40.87 H new ATOM 0 HG13 VAL A 16 -36.597 -10.496 -6.045 1.00 40.87 H new ATOM 0 HG21 VAL A 16 -38.702 -10.875 -4.005 1.00 38.88 H new ATOM 0 HG22 VAL A 16 -39.019 -11.085 -5.542 1.00 38.88 H new ATOM 0 HG23 VAL A 16 -39.318 -12.245 -4.506 1.00 38.88 H new ATOM 161 N SER A 17 -35.440 -14.573 -5.676 1.00 41.54 N ATOM 162 CA SER A 17 -34.056 -15.116 -5.775 1.00 41.61 C ATOM 163 C SER A 17 -33.815 -15.859 -7.097 1.00 37.88 C ATOM 164 O SER A 17 -32.643 -16.095 -7.432 1.00 40.41 O ATOM 165 CB SER A 17 -33.740 -15.964 -4.571 1.00 39.13 C ATOM 166 OG SER A 17 -33.856 -15.158 -3.384 1.00 44.36 O ATOM 0 H SER A 17 -35.911 -14.970 -5.075 1.00 41.54 H new ATOM 0 HA SER A 17 -33.439 -14.367 -5.780 1.00 41.61 H new ATOM 0 HB2 SER A 17 -34.348 -16.718 -4.524 1.00 39.13 H new ATOM 0 HB3 SER A 17 -32.843 -16.327 -4.643 1.00 39.13 H new ATOM 0 HG SER A 17 -34.661 -15.122 -3.147 1.00 44.36 H new ATOM 167 N ARG A 18 -34.845 -16.222 -7.843 1.00 37.63 N ATOM 168 CA AARG A 18 -34.671 -16.742 -9.226 0.50 39.96 C ATOM 169 CA BARG A 18 -34.646 -16.765 -9.209 0.50 43.88 C ATOM 170 C ARG A 18 -33.917 -15.701 -10.050 1.00 44.14 C ATOM 171 O ARG A 18 -33.227 -16.100 -10.965 1.00 41.72 O ATOM 172 CB AARG A 18 -35.986 -16.978 -9.973 0.50 40.00 C ATOM 173 CB BARG A 18 -35.979 -17.221 -9.815 0.50 50.41 C ATOM 174 CG AARG A 18 -36.687 -18.291 -9.652 0.50 41.06 C ATOM 175 CG BARG A 18 -36.578 -18.454 -9.139 0.50 57.26 C ATOM 176 CD AARG A 18 -35.895 -19.521 -10.047 0.50 40.81 C ATOM 177 CD BARG A 18 -38.008 -18.818 -9.546 0.50 63.27 C ATOM 178 NE AARG A 18 -35.479 -19.566 -11.446 0.50 37.39 N ATOM 179 NE BARG A 18 -38.914 -19.265 -8.464 0.50 67.44 N ATOM 180 CZ AARG A 18 -34.222 -19.710 -11.819 0.50 36.96 C ATOM 181 CZ BARG A 18 -38.864 -20.436 -7.818 0.50 65.30 C ATOM 182 NH1AARG A 18 -33.910 -19.772 -13.108 0.50 36.10 N ATOM 183 NH1BARG A 18 -39.742 -20.715 -6.867 0.50 57.59 N ATOM 184 NH2AARG A 18 -33.291 -19.817 -10.883 0.50 32.99 N ATOM 185 NH2BARG A 18 -37.928 -21.320 -8.109 0.50 70.01 N ATOM 0 H AARG A 18 -35.663 -16.181 -7.581 0.50 37.63 H new ATOM 0 H BARG A 18 -35.666 -16.169 -7.594 0.50 37.63 H new ATOM 0 HA AARG A 18 -34.206 -17.588 -9.131 0.50 43.88 H new ATOM 0 HA BARG A 18 -34.091 -17.560 -9.188 0.50 43.88 H new ATOM 0 HB2AARG A 18 -36.591 -16.247 -9.772 0.50 50.41 H new ATOM 0 HB2BARG A 18 -36.616 -16.491 -9.759 0.50 50.41 H new ATOM 0 HB3AARG A 18 -35.810 -16.946 -10.926 0.50 50.41 H new ATOM 0 HB3BARG A 18 -35.847 -17.411 -10.757 0.50 50.41 H new ATOM 0 HG2AARG A 18 -36.869 -18.326 -8.700 0.50 57.26 H new ATOM 0 HG2BARG A 18 -36.005 -19.214 -9.326 0.50 57.26 H new ATOM 0 HG3AARG A 18 -37.544 -18.309 -10.106 0.50 57.26 H new ATOM 0 HG3BARG A 18 -36.560 -18.315 -8.179 0.50 57.26 H new ATOM 0 HD2AARG A 18 -35.105 -19.573 -9.487 0.50 63.27 H new ATOM 0 HD2BARG A 18 -38.407 -18.045 -9.975 0.50 63.27 H new ATOM 0 HD3AARG A 18 -36.430 -20.308 -9.857 0.50 63.27 H new ATOM 0 HD3BARG A 18 -37.963 -19.521 -10.213 0.50 63.27 H new ATOM 0 HE AARG A 18 -36.082 -19.495 -12.055 0.50 67.44 H new ATOM 0 HE BARG A 18 -39.534 -18.718 -8.227 0.50 67.44 H new ATOM 0 HH11AARG A 18 -34.528 -19.718 -13.703 0.50 57.59 H new ATOM 0 HH11BARG A 18 -40.349 -20.142 -6.661 0.50 57.59 H new ATOM 0 HH12AARG A 18 -33.089 -19.866 -13.348 0.50 57.59 H new ATOM 0 HH12BARG A 18 -39.705 -21.469 -6.455 0.50 57.59 H new ATOM 0 HH21AARG A 18 -33.512 -19.792 -10.052 0.50 70.01 H new ATOM 0 HH21BARG A 18 -37.345 -21.145 -8.717 0.50 70.01 H new ATOM 0 HH22AARG A 18 -32.466 -19.912 -11.106 0.50 70.01 H new ATOM 0 HH22BARG A 18 -37.901 -22.071 -7.691 0.50 70.01 H new ATOM 186 N SER A 19 -34.062 -14.398 -9.736 1.00 42.26 N ATOM 187 CA SER A 19 -33.515 -13.337 -10.621 1.00 40.43 C ATOM 188 C SER A 19 -33.200 -12.048 -9.866 1.00 40.45 C ATOM 189 O SER A 19 -33.870 -11.028 -10.032 1.00 38.51 O ATOM 190 CB SER A 19 -34.456 -13.116 -11.773 1.00 35.69 C ATOM 191 OG SER A 19 -33.746 -12.530 -12.847 1.00 35.72 O ATOM 0 H SER A 19 -34.464 -14.110 -9.032 1.00 42.26 H new ATOM 0 HA SER A 19 -32.662 -13.637 -10.972 1.00 40.43 H new ATOM 0 HB2 SER A 19 -34.847 -13.959 -12.051 1.00 35.69 H new ATOM 0 HB3 SER A 19 -35.187 -12.539 -11.501 1.00 35.69 H new ATOM 0 HG SER A 19 -34.283 -12.122 -13.349 1.00 35.72 H new ATOM 192 N PRO A 20 -32.180 -12.049 -8.986 1.00 39.90 N ATOM 193 CA PRO A 20 -32.069 -10.998 -7.975 1.00 43.31 C ATOM 194 C PRO A 20 -31.634 -9.640 -8.534 1.00 36.86 C ATOM 195 O PRO A 20 -31.991 -8.648 -7.970 1.00 39.97 O ATOM 196 CB PRO A 20 -31.089 -11.554 -6.926 1.00 43.05 C ATOM 197 CG PRO A 20 -30.365 -12.692 -7.623 1.00 43.02 C ATOM 198 CD PRO A 20 -31.215 -13.137 -8.793 1.00 43.92 C ATOM 0 HA PRO A 20 -32.937 -10.800 -7.590 1.00 43.31 H new ATOM 0 HB2 PRO A 20 -30.467 -10.871 -6.631 1.00 43.05 H new ATOM 0 HB3 PRO A 20 -31.560 -11.868 -6.138 1.00 43.05 H new ATOM 0 HG2 PRO A 20 -29.491 -12.402 -7.929 1.00 43.02 H new ATOM 0 HG3 PRO A 20 -30.220 -13.429 -7.009 1.00 43.02 H new ATOM 0 HD2 PRO A 20 -30.676 -13.276 -9.588 1.00 43.92 H new ATOM 0 HD3 PRO A 20 -31.663 -13.976 -8.604 1.00 43.92 H new ATOM 199 N LEU A 21 -30.917 -9.627 -9.641 1.00 42.09 N ATOM 200 CA LEU A 21 -30.428 -8.383 -10.274 1.00 43.06 C ATOM 201 C LEU A 21 -31.597 -7.746 -11.001 1.00 40.48 C ATOM 202 O LEU A 21 -31.726 -6.540 -10.942 1.00 41.02 O ATOM 203 CB LEU A 21 -29.296 -8.699 -11.254 1.00 49.33 C ATOM 204 CG LEU A 21 -27.881 -8.448 -10.747 1.00 56.34 C ATOM 205 CD1 LEU A 21 -27.775 -8.625 -9.247 1.00 57.77 C ATOM 206 CD2 LEU A 21 -26.895 -9.362 -11.466 1.00 60.08 C ATOM 0 H LEU A 21 -30.690 -10.341 -10.063 1.00 42.09 H new ATOM 0 HA LEU A 21 -30.078 -7.775 -9.604 1.00 43.06 H new ATOM 0 HB2 LEU A 21 -29.367 -9.631 -11.512 1.00 49.33 H new ATOM 0 HB3 LEU A 21 -29.431 -8.171 -12.057 1.00 49.33 H new ATOM 0 HG LEU A 21 -27.659 -7.524 -10.942 1.00 56.34 H new ATOM 0 HD11 LEU A 21 -26.862 -8.457 -8.965 1.00 57.77 H new ATOM 0 HD12 LEU A 21 -28.370 -8.000 -8.804 1.00 57.77 H new ATOM 0 HD13 LEU A 21 -28.025 -9.532 -9.010 1.00 57.77 H new ATOM 0 HD21 LEU A 21 -25.998 -9.194 -11.136 1.00 60.08 H new ATOM 0 HD22 LEU A 21 -27.132 -10.288 -11.301 1.00 60.08 H new ATOM 0 HD23 LEU A 21 -26.926 -9.186 -12.419 1.00 60.08 H new ATOM 207 N GLU A 22 -32.424 -8.567 -11.656 1.00 38.96 N ATOM 208 CA GLU A 22 -33.605 -8.067 -12.410 1.00 42.52 C ATOM 209 C GLU A 22 -34.616 -7.454 -11.434 1.00 39.36 C ATOM 210 O GLU A 22 -35.214 -6.416 -11.780 1.00 41.32 O ATOM 211 CB GLU A 22 -34.241 -9.201 -13.217 1.00 40.96 C ATOM 212 CG GLU A 22 -35.697 -8.953 -13.566 1.00 43.97 C ATOM 213 CD GLU A 22 -36.457 -10.185 -14.027 1.00 42.69 C ATOM 214 OE1 GLU A 22 -35.832 -11.259 -14.130 1.00 41.92 O ATOM 215 OE2 GLU A 22 -37.672 -10.067 -14.282 1.00 44.78 O ATOM 0 H GLU A 22 -32.326 -9.421 -11.682 1.00 38.96 H new ATOM 0 HA GLU A 22 -33.320 -7.381 -13.034 1.00 42.52 H new ATOM 0 HB2 GLU A 22 -33.737 -9.328 -14.036 1.00 40.96 H new ATOM 0 HB3 GLU A 22 -34.173 -10.026 -12.711 1.00 40.96 H new ATOM 0 HG2 GLU A 22 -36.145 -8.583 -12.789 1.00 43.97 H new ATOM 0 HG3 GLU A 22 -35.740 -8.281 -14.264 1.00 43.97 H new ATOM 216 N HIS A 23 -34.794 -8.077 -10.264 1.00 39.59 N ATOM 217 CA HIS A 23 -35.754 -7.575 -9.248 1.00 39.38 C ATOM 218 C HIS A 23 -35.141 -6.379 -8.511 1.00 36.97 C ATOM 219 O HIS A 23 -35.864 -5.402 -8.225 1.00 33.79 O ATOM 220 CB HIS A 23 -36.197 -8.731 -8.359 1.00 40.80 C ATOM 221 CG HIS A 23 -37.084 -9.681 -9.082 1.00 42.95 C ATOM 222 ND1 HIS A 23 -38.220 -9.480 -9.784 1.00 45.48 N flip ATOM 223 CD2 HIS A 23 -36.823 -11.035 -9.135 1.00 45.23 C flip ATOM 224 CE1 HIS A 23 -38.609 -10.699 -10.290 1.00 43.09 C flip ATOM 225 NE2 HIS A 23 -37.754 -11.624 -9.864 1.00 47.39 N flip ATOM 0 H HIS A 23 -34.374 -8.791 -10.032 1.00 39.59 H new ATOM 0 HA HIS A 23 -36.566 -7.235 -9.656 1.00 39.38 H new ATOM 0 HB2 HIS A 23 -35.416 -9.204 -8.032 1.00 40.80 H new ATOM 0 HB3 HIS A 23 -36.663 -8.381 -7.583 1.00 40.80 H new ATOM 0 HD2 HIS A 23 -36.107 -11.464 -8.724 1.00 45.23 H new ATOM 0 HE1 HIS A 23 -39.345 -10.850 -10.837 1.00 43.09 H new ATOM 0 HE2 HIS A 23 -37.800 -12.466 -10.035 1.00 47.39 H new ATOM 226 N GLY A 24 -33.842 -6.436 -8.279 1.00 33.81 N ATOM 227 CA GLY A 24 -33.092 -5.335 -7.660 1.00 38.76 C ATOM 228 C GLY A 24 -33.177 -4.061 -8.489 1.00 34.84 C ATOM 229 O GLY A 24 -33.291 -3.004 -7.882 1.00 32.40 O ATOM 0 H GLY A 24 -33.357 -7.119 -8.475 1.00 33.81 H new ATOM 0 HA2 GLY A 24 -33.439 -5.166 -6.770 1.00 38.76 H new ATOM 0 HA3 GLY A 24 -32.163 -5.593 -7.557 1.00 38.76 H new ATOM 230 N THR A 25 -33.139 -4.164 -9.818 1.00 35.01 N ATOM 231 CA ATHR A 25 -33.214 -3.006 -10.742 0.50 35.96 C ATOM 232 CA BTHR A 25 -33.206 -2.980 -10.712 0.50 38.43 C ATOM 233 C THR A 25 -34.606 -2.383 -10.594 1.00 37.66 C ATOM 234 O THR A 25 -34.689 -1.171 -10.651 1.00 37.22 O ATOM 235 CB ATHR A 25 -32.831 -3.427 -12.167 0.50 32.89 C ATOM 236 CB BTHR A 25 -32.842 -3.243 -12.181 0.50 38.22 C ATOM 237 OG1ATHR A 25 -31.532 -3.999 -12.045 0.50 33.12 O ATOM 238 OG1BTHR A 25 -33.806 -4.092 -12.806 0.50 43.14 O ATOM 239 CG2ATHR A 25 -32.774 -2.299 -13.175 0.50 33.06 C ATOM 240 CG2BTHR A 25 -31.448 -3.809 -12.329 0.50 39.51 C ATOM 0 H ATHR A 25 -33.068 -4.919 -10.224 0.50 35.01 H new ATOM 0 H BTHR A 25 -33.074 -4.914 -10.234 0.50 35.01 H new ATOM 0 HA ATHR A 25 -32.568 -2.317 -10.520 0.50 38.43 H new ATOM 0 HA BTHR A 25 -32.523 -2.359 -10.414 0.50 38.43 H new ATOM 0 HB ATHR A 25 -33.512 -4.028 -12.506 0.50 38.22 H new ATOM 0 HB BTHR A 25 -32.853 -2.385 -12.634 0.50 38.22 H new ATOM 0 HG1ATHR A 25 -31.597 -4.782 -11.748 0.50 43.14 H new ATOM 0 HG1BTHR A 25 -34.044 -4.691 -12.267 0.50 43.14 H new ATOM 0 HG21ATHR A 25 -32.526 -2.653 -14.043 0.50 39.51 H new ATOM 0 HG21BTHR A 25 -31.258 -3.960 -13.268 0.50 39.51 H new ATOM 0 HG22ATHR A 25 -33.644 -1.875 -13.236 0.50 39.51 H new ATOM 0 HG22BTHR A 25 -30.804 -3.181 -11.966 0.50 39.51 H new ATOM 0 HG23ATHR A 25 -32.115 -1.645 -12.893 0.50 39.51 H new ATOM 0 HG23BTHR A 25 -31.387 -4.649 -11.848 0.50 39.51 H new ATOM 241 N VAL A 26 -35.626 -3.221 -10.389 1.00 34.38 N ATOM 242 CA VAL A 26 -37.011 -2.735 -10.163 1.00 35.30 C ATOM 243 C VAL A 26 -37.028 -1.984 -8.828 1.00 35.88 C ATOM 244 O VAL A 26 -37.524 -0.865 -8.818 1.00 37.97 O ATOM 245 CB VAL A 26 -38.047 -3.871 -10.250 1.00 36.66 C ATOM 246 CG1 VAL A 26 -39.436 -3.406 -9.853 1.00 35.00 C ATOM 247 CG2 VAL A 26 -38.084 -4.493 -11.647 1.00 36.10 C ATOM 0 H VAL A 26 -35.546 -4.077 -10.375 1.00 34.38 H new ATOM 0 HA VAL A 26 -37.276 -2.124 -10.868 1.00 35.30 H new ATOM 0 HB VAL A 26 -37.763 -4.549 -9.617 1.00 36.66 H new ATOM 0 HG11 VAL A 26 -40.057 -4.148 -9.921 1.00 35.00 H new ATOM 0 HG12 VAL A 26 -39.420 -3.081 -8.939 1.00 35.00 H new ATOM 0 HG13 VAL A 26 -39.720 -2.692 -10.445 1.00 35.00 H new ATOM 0 HG21 VAL A 26 -38.745 -5.203 -11.668 1.00 36.10 H new ATOM 0 HG22 VAL A 26 -38.320 -3.813 -12.298 1.00 36.10 H new ATOM 0 HG23 VAL A 26 -37.211 -4.858 -11.862 1.00 36.10 H new ATOM 248 N LEU A 27 -36.442 -2.532 -7.764 1.00 33.00 N ATOM 249 CA LEU A 27 -36.420 -1.841 -6.458 1.00 34.17 C ATOM 250 C LEU A 27 -35.760 -0.458 -6.652 1.00 37.45 C ATOM 251 O LEU A 27 -36.372 0.547 -6.314 1.00 33.01 O ATOM 252 CB LEU A 27 -35.658 -2.711 -5.462 1.00 35.47 C ATOM 253 CG LEU A 27 -35.748 -2.305 -3.982 1.00 34.61 C ATOM 254 CD1 LEU A 27 -35.294 -3.452 -3.078 1.00 34.00 C ATOM 255 CD2 LEU A 27 -34.920 -1.043 -3.723 1.00 37.34 C ATOM 0 H LEU A 27 -36.052 -3.298 -7.770 1.00 33.00 H new ATOM 0 HA LEU A 27 -37.314 -1.701 -6.108 1.00 34.17 H new ATOM 0 HB2 LEU A 27 -35.981 -3.622 -5.546 1.00 35.47 H new ATOM 0 HB3 LEU A 27 -34.722 -2.717 -5.718 1.00 35.47 H new ATOM 0 HG LEU A 27 -36.675 -2.109 -3.773 1.00 34.61 H new ATOM 0 HD11 LEU A 27 -35.358 -3.177 -2.150 1.00 34.00 H new ATOM 0 HD12 LEU A 27 -35.861 -4.225 -3.226 1.00 34.00 H new ATOM 0 HD13 LEU A 27 -34.375 -3.682 -3.284 1.00 34.00 H new ATOM 0 HD21 LEU A 27 -34.986 -0.799 -2.787 1.00 37.34 H new ATOM 0 HD22 LEU A 27 -33.992 -1.213 -3.948 1.00 37.34 H new ATOM 0 HD23 LEU A 27 -35.257 -0.317 -4.270 1.00 37.34 H new ATOM 256 N PHE A 28 -34.592 -0.397 -7.264 1.00 34.39 N ATOM 257 CA PHE A 28 -33.827 0.871 -7.440 1.00 39.15 C ATOM 258 C PHE A 28 -34.474 1.811 -8.466 1.00 35.96 C ATOM 259 O PHE A 28 -34.403 3.016 -8.228 1.00 38.23 O ATOM 260 CB PHE A 28 -32.336 0.618 -7.684 1.00 34.87 C ATOM 261 CG PHE A 28 -31.605 0.399 -6.377 1.00 38.38 C ATOM 262 CD1 PHE A 28 -31.092 1.463 -5.659 1.00 35.41 C ATOM 263 CD2 PHE A 28 -31.485 -0.873 -5.823 1.00 42.24 C ATOM 264 CE1 PHE A 28 -30.440 1.272 -4.446 1.00 36.79 C ATOM 265 CE2 PHE A 28 -30.835 -1.066 -4.612 1.00 40.68 C ATOM 266 CZ PHE A 28 -30.315 0.005 -3.923 1.00 39.22 C ATOM 0 H PHE A 28 -34.200 -1.086 -7.599 1.00 34.39 H new ATOM 0 HA PHE A 28 -33.873 1.349 -6.597 1.00 39.15 H new ATOM 0 HB2 PHE A 28 -32.225 -0.158 -8.255 1.00 34.87 H new ATOM 0 HB3 PHE A 28 -31.948 1.373 -8.153 1.00 34.87 H new ATOM 0 HD1 PHE A 28 -31.185 2.325 -5.995 1.00 35.41 H new ATOM 0 HD2 PHE A 28 -31.846 -1.604 -6.271 1.00 42.24 H new ATOM 0 HE1 PHE A 28 -30.088 2.001 -3.988 1.00 36.79 H new ATOM 0 HE2 PHE A 28 -30.751 -1.924 -4.264 1.00 40.68 H new ATOM 0 HZ PHE A 28 -29.882 -0.126 -3.110 1.00 39.22 H new ATOM 267 N ALA A 29 -35.152 1.327 -9.501 1.00 36.58 N ATOM 268 CA ALA A 29 -35.906 2.198 -10.427 1.00 36.88 C ATOM 269 C ALA A 29 -36.999 2.924 -9.641 1.00 36.66 C ATOM 270 O ALA A 29 -37.201 4.112 -9.853 1.00 39.24 O ATOM 271 CB ALA A 29 -36.486 1.419 -11.586 1.00 38.61 C ATOM 0 H ALA A 29 -35.194 0.490 -9.694 1.00 36.58 H new ATOM 0 HA ALA A 29 -35.299 2.848 -10.813 1.00 36.88 H new ATOM 0 HB1 ALA A 29 -36.972 2.022 -12.170 1.00 38.61 H new ATOM 0 HB2 ALA A 29 -35.769 0.996 -12.083 1.00 38.61 H new ATOM 0 HB3 ALA A 29 -37.090 0.739 -11.249 1.00 38.61 H new ATOM 272 N ARG A 30 -37.702 2.228 -8.755 1.00 37.48 N ATOM 273 CA AARG A 30 -38.744 2.858 -7.913 0.50 35.86 C ATOM 274 CA BARG A 30 -38.741 2.853 -7.907 0.50 37.83 C ATOM 275 C ARG A 30 -38.088 3.834 -6.926 1.00 38.93 C ATOM 276 O ARG A 30 -38.623 4.934 -6.738 1.00 36.92 O ATOM 277 CB AARG A 30 -39.565 1.782 -7.201 0.50 36.36 C ATOM 278 CB BARG A 30 -39.528 1.765 -7.178 0.50 41.10 C ATOM 279 CG AARG A 30 -40.858 2.308 -6.602 0.50 35.50 C ATOM 280 CG BARG A 30 -40.614 2.313 -6.270 0.50 43.51 C ATOM 281 CD AARG A 30 -41.689 3.111 -7.582 0.50 37.90 C ATOM 282 CD BARG A 30 -41.532 3.303 -6.953 0.50 47.53 C ATOM 283 NE AARG A 30 -43.071 3.179 -7.160 0.50 38.59 N ATOM 284 NE BARG A 30 -42.880 2.815 -6.777 0.50 51.20 N ATOM 285 CZ AARG A 30 -44.097 3.206 -7.993 0.50 43.26 C ATOM 286 CZ BARG A 30 -43.945 3.564 -6.608 0.50 58.82 C ATOM 287 NH1AARG A 30 -43.904 3.201 -9.297 0.50 42.53 N ATOM 288 NH1BARG A 30 -43.845 4.881 -6.593 0.50 63.70 N ATOM 289 NH2AARG A 30 -45.326 3.248 -7.525 0.50 55.15 N ATOM 290 NH2BARG A 30 -45.114 2.976 -6.444 0.50 65.90 N ATOM 0 H AARG A 30 -37.598 1.385 -8.618 0.50 37.48 H new ATOM 0 H BARG A 30 -37.599 1.385 -8.621 0.50 37.48 H new ATOM 0 HA AARG A 30 -39.356 3.366 -8.469 0.50 37.83 H new ATOM 0 HA BARG A 30 -39.362 3.354 -8.458 0.50 37.83 H new ATOM 0 HB2AARG A 30 -39.773 1.074 -7.830 0.50 41.10 H new ATOM 0 HB2BARG A 30 -39.931 1.173 -7.832 0.50 41.10 H new ATOM 0 HB3AARG A 30 -39.027 1.387 -6.497 0.50 41.10 H new ATOM 0 HB3BARG A 30 -38.915 1.230 -6.651 0.50 41.10 H new ATOM 0 HG2AARG A 30 -41.384 1.561 -6.278 0.50 43.51 H new ATOM 0 HG2BARG A 30 -41.143 1.575 -5.929 0.50 43.51 H new ATOM 0 HG3AARG A 30 -40.649 2.863 -5.834 0.50 43.51 H new ATOM 0 HG3BARG A 30 -40.200 2.742 -5.505 0.50 43.51 H new ATOM 0 HD2AARG A 30 -41.327 4.008 -7.659 0.50 47.53 H new ATOM 0 HD2BARG A 30 -41.433 4.187 -6.566 0.50 47.53 H new ATOM 0 HD3AARG A 30 -41.636 2.707 -8.462 0.50 47.53 H new ATOM 0 HD3BARG A 30 -41.315 3.380 -7.895 0.50 47.53 H new ATOM 0 HE AARG A 30 -43.235 3.203 -6.316 0.50 51.20 H new ATOM 0 HE BARG A 30 -42.995 1.963 -6.783 0.50 51.20 H new ATOM 0 HH11AARG A 30 -43.105 3.180 -9.613 0.50 63.70 H new ATOM 0 HH11BARG A 30 -43.077 5.255 -6.695 0.50 63.70 H new ATOM 0 HH12AARG A 30 -44.578 3.219 -9.831 0.50 63.70 H new ATOM 0 HH12BARG A 30 -44.548 5.364 -6.482 0.50 63.70 H new ATOM 0 HH21AARG A 30 -45.463 3.258 -6.676 0.50 65.90 H new ATOM 0 HH21BARG A 30 -45.168 2.118 -6.449 0.50 65.90 H new ATOM 0 HH22AARG A 30 -45.993 3.266 -8.068 0.50 65.90 H new ATOM 0 HH22BARG A 30 -45.822 3.451 -6.332 0.50 65.90 H new ATOM 291 N LEU A 31 -36.990 3.434 -6.301 1.00 37.98 N ATOM 292 CA LEU A 31 -36.299 4.272 -5.286 1.00 37.81 C ATOM 293 C LEU A 31 -35.823 5.600 -5.907 1.00 39.84 C ATOM 294 O LEU A 31 -35.995 6.642 -5.261 1.00 37.92 O ATOM 295 CB LEU A 31 -35.123 3.476 -4.746 1.00 39.56 C ATOM 296 CG LEU A 31 -34.285 4.168 -3.681 1.00 40.36 C ATOM 297 CD1 LEU A 31 -35.142 4.536 -2.484 1.00 43.20 C ATOM 298 CD2 LEU A 31 -33.175 3.251 -3.265 1.00 41.86 C ATOM 0 H LEU A 31 -36.614 2.674 -6.442 1.00 37.98 H new ATOM 0 HA LEU A 31 -36.909 4.495 -4.565 1.00 37.81 H new ATOM 0 HB2 LEU A 31 -35.460 2.644 -4.378 1.00 39.56 H new ATOM 0 HB3 LEU A 31 -34.544 3.244 -5.489 1.00 39.56 H new ATOM 0 HG LEU A 31 -33.913 4.986 -4.045 1.00 40.36 H new ATOM 0 HD11 LEU A 31 -34.593 4.975 -1.816 1.00 43.20 H new ATOM 0 HD12 LEU A 31 -35.851 5.136 -2.765 1.00 43.20 H new ATOM 0 HD13 LEU A 31 -35.531 3.732 -2.105 1.00 43.20 H new ATOM 0 HD21 LEU A 31 -32.635 3.684 -2.586 1.00 41.86 H new ATOM 0 HD22 LEU A 31 -33.549 2.431 -2.906 1.00 41.86 H new ATOM 0 HD23 LEU A 31 -32.621 3.043 -4.034 1.00 41.86 H new ATOM 299 N PHE A 32 -35.251 5.569 -7.117 1.00 36.87 N ATOM 300 CA PHE A 32 -34.788 6.780 -7.825 1.00 36.71 C ATOM 301 C PHE A 32 -35.987 7.640 -8.243 1.00 40.45 C ATOM 302 O PHE A 32 -35.835 8.888 -8.367 1.00 36.83 O ATOM 303 CB PHE A 32 -33.893 6.438 -9.010 1.00 36.12 C ATOM 304 CG PHE A 32 -32.572 5.815 -8.673 1.00 35.04 C ATOM 305 CD1 PHE A 32 -32.020 5.932 -7.400 1.00 34.72 C ATOM 306 CD2 PHE A 32 -31.915 5.038 -9.622 1.00 33.56 C ATOM 307 CE1 PHE A 32 -30.818 5.311 -7.108 1.00 29.67 C ATOM 308 CE2 PHE A 32 -30.704 4.437 -9.329 1.00 32.62 C ATOM 309 CZ PHE A 32 -30.175 4.567 -8.059 1.00 35.18 C ATOM 0 H PHE A 32 -35.118 4.841 -7.556 1.00 36.87 H new ATOM 0 HA PHE A 32 -34.243 7.299 -7.213 1.00 36.71 H new ATOM 0 HB2 PHE A 32 -34.376 5.834 -9.595 1.00 36.12 H new ATOM 0 HB3 PHE A 32 -33.729 7.250 -9.514 1.00 36.12 H new ATOM 0 HD1 PHE A 32 -32.459 6.427 -6.746 1.00 34.72 H new ATOM 0 HD2 PHE A 32 -32.294 4.921 -10.463 1.00 33.56 H new ATOM 0 HE1 PHE A 32 -30.445 5.400 -6.261 1.00 29.67 H new ATOM 0 HE2 PHE A 32 -30.251 3.951 -9.980 1.00 32.62 H new ATOM 0 HZ PHE A 32 -29.374 4.144 -7.849 1.00 35.18 H new ATOM 310 N ALA A 33 -37.140 7.028 -8.506 1.00 36.36 N ATOM 311 CA ALA A 33 -38.361 7.801 -8.819 1.00 37.31 C ATOM 312 C ALA A 33 -38.800 8.577 -7.565 1.00 38.51 C ATOM 313 O ALA A 33 -39.213 9.740 -7.688 1.00 43.87 O ATOM 314 CB ALA A 33 -39.455 6.902 -9.332 1.00 36.93 C ATOM 0 H ALA A 33 -37.245 6.174 -8.510 1.00 36.36 H new ATOM 0 HA ALA A 33 -38.169 8.436 -9.527 1.00 37.31 H new ATOM 0 HB1 ALA A 33 -40.243 7.432 -9.530 1.00 36.93 H new ATOM 0 HB2 ALA A 33 -39.155 6.455 -10.139 1.00 36.93 H new ATOM 0 HB3 ALA A 33 -39.672 6.239 -8.658 1.00 36.93 H new ATOM 315 N LEU A 34 -38.721 7.946 -6.404 1.00 38.76 N ATOM 316 CA LEU A 34 -39.104 8.534 -5.098 1.00 38.16 C ATOM 317 C LEU A 34 -38.029 9.482 -4.565 1.00 41.24 C ATOM 318 O LEU A 34 -38.439 10.453 -3.914 1.00 39.30 O ATOM 319 CB LEU A 34 -39.332 7.395 -4.113 1.00 39.53 C ATOM 320 CG LEU A 34 -40.513 6.500 -4.469 1.00 41.47 C ATOM 321 CD1 LEU A 34 -40.525 5.294 -3.571 1.00 39.91 C ATOM 322 CD2 LEU A 34 -41.828 7.281 -4.397 1.00 48.28 C ATOM 0 H LEU A 34 -38.436 7.137 -6.337 1.00 38.76 H new ATOM 0 HA LEU A 34 -39.913 9.057 -5.212 1.00 38.16 H new ATOM 0 HB2 LEU A 34 -38.529 6.853 -4.067 1.00 39.53 H new ATOM 0 HB3 LEU A 34 -39.474 7.767 -3.229 1.00 39.53 H new ATOM 0 HG LEU A 34 -40.417 6.192 -5.384 1.00 41.47 H new ATOM 0 HD11 LEU A 34 -41.278 4.727 -3.800 1.00 39.91 H new ATOM 0 HD12 LEU A 34 -39.700 4.797 -3.685 1.00 39.91 H new ATOM 0 HD13 LEU A 34 -40.605 5.579 -2.647 1.00 39.91 H new ATOM 0 HD21 LEU A 34 -42.566 6.695 -4.627 1.00 48.28 H new ATOM 0 HD22 LEU A 34 -41.954 7.621 -3.497 1.00 48.28 H new ATOM 0 HD23 LEU A 34 -41.799 8.023 -5.021 1.00 48.28 H new ATOM 323 N GLU A 35 -36.733 9.220 -4.813 1.00 39.22 N ATOM 324 CA GLU A 35 -35.619 9.961 -4.168 1.00 39.04 C ATOM 325 C GLU A 35 -34.438 10.041 -5.132 1.00 40.46 C ATOM 326 O GLU A 35 -33.401 9.395 -4.959 1.00 40.62 O ATOM 327 CB GLU A 35 -35.321 9.278 -2.833 1.00 42.42 C ATOM 328 CG GLU A 35 -34.390 10.067 -1.951 1.00 55.96 C ATOM 329 CD GLU A 35 -34.358 9.636 -0.480 1.00 66.29 C ATOM 330 OE1 GLU A 35 -35.311 8.972 -0.004 1.00 59.78 O ATOM 331 OE2 GLU A 35 -33.363 9.967 0.199 1.00 88.49 O ATOM 0 H GLU A 35 -36.472 8.609 -5.359 1.00 39.22 H new ATOM 0 HA GLU A 35 -35.845 10.883 -3.969 1.00 39.04 H new ATOM 0 HB2 GLU A 35 -36.155 9.129 -2.360 1.00 42.42 H new ATOM 0 HB3 GLU A 35 -34.932 8.406 -3.003 1.00 42.42 H new ATOM 0 HG2 GLU A 35 -33.492 10.000 -2.312 1.00 55.96 H new ATOM 0 HG3 GLU A 35 -34.644 11.002 -1.993 1.00 55.96 H new ATOM 332 N PRO A 36 -34.572 10.813 -6.229 1.00 36.78 N ATOM 333 CA PRO A 36 -33.545 10.836 -7.272 1.00 35.53 C ATOM 334 C PRO A 36 -32.184 11.382 -6.803 1.00 42.03 C ATOM 335 O PRO A 36 -31.178 11.033 -7.400 1.00 37.44 O ATOM 336 CB PRO A 36 -34.202 11.639 -8.398 1.00 39.97 C ATOM 337 CG PRO A 36 -35.305 12.407 -7.747 1.00 40.85 C ATOM 338 CD PRO A 36 -35.770 11.581 -6.568 1.00 36.52 C ATOM 0 HA PRO A 36 -33.291 9.946 -7.562 1.00 35.53 H new ATOM 0 HB2 PRO A 36 -33.564 12.235 -8.821 1.00 39.97 H new ATOM 0 HB3 PRO A 36 -34.545 11.053 -9.091 1.00 39.97 H new ATOM 0 HG2 PRO A 36 -34.993 13.278 -7.456 1.00 40.85 H new ATOM 0 HG3 PRO A 36 -36.033 12.560 -8.370 1.00 40.85 H new ATOM 0 HD2 PRO A 36 -36.063 12.138 -5.830 1.00 36.52 H new ATOM 0 HD3 PRO A 36 -36.515 11.005 -6.802 1.00 36.52 H new ATOM 339 N SER A 37 -32.161 12.102 -5.682 1.00 37.57 N ATOM 340 CA SER A 37 -30.938 12.650 -5.038 1.00 40.64 C ATOM 341 C SER A 37 -29.955 11.533 -4.662 1.00 39.15 C ATOM 342 O SER A 37 -28.759 11.847 -4.462 1.00 36.46 O ATOM 343 CB SER A 37 -31.308 13.454 -3.809 1.00 43.57 C ATOM 344 OG SER A 37 -32.126 12.671 -2.950 1.00 43.88 O ATOM 0 H SER A 37 -32.879 12.298 -5.251 1.00 37.57 H new ATOM 0 HA SER A 37 -30.500 13.231 -5.679 1.00 40.64 H new ATOM 0 HB2 SER A 37 -30.505 13.732 -3.340 1.00 43.57 H new ATOM 0 HB3 SER A 37 -31.778 14.261 -4.070 1.00 43.57 H new ATOM 0 HG SER A 37 -32.328 13.120 -2.269 1.00 43.88 H new ATOM 345 N LEU A 38 -30.413 10.282 -4.566 1.00 39.46 N ATOM 346 CA LEU A 38 -29.551 9.118 -4.234 1.00 34.57 C ATOM 347 C LEU A 38 -28.696 8.691 -5.417 1.00 33.37 C ATOM 348 O LEU A 38 -27.673 8.061 -5.164 1.00 34.48 O ATOM 349 CB LEU A 38 -30.439 7.960 -3.772 1.00 39.90 C ATOM 350 CG LEU A 38 -31.153 8.183 -2.432 1.00 36.70 C ATOM 351 CD1 LEU A 38 -32.034 6.992 -2.113 1.00 42.08 C ATOM 352 CD2 LEU A 38 -30.153 8.416 -1.311 1.00 37.65 C ATOM 0 H LEU A 38 -31.238 10.074 -4.691 1.00 39.46 H new ATOM 0 HA LEU A 38 -28.943 9.376 -3.523 1.00 34.57 H new ATOM 0 HB2 LEU A 38 -31.107 7.791 -4.455 1.00 39.90 H new ATOM 0 HB3 LEU A 38 -29.894 7.160 -3.703 1.00 39.90 H new ATOM 0 HG LEU A 38 -31.706 8.977 -2.508 1.00 36.70 H new ATOM 0 HD11 LEU A 38 -32.482 7.139 -1.265 1.00 42.08 H new ATOM 0 HD12 LEU A 38 -32.696 6.882 -2.814 1.00 42.08 H new ATOM 0 HD13 LEU A 38 -31.489 6.192 -2.055 1.00 42.08 H new ATOM 0 HD21 LEU A 38 -30.628 8.554 -0.477 1.00 37.65 H new ATOM 0 HD22 LEU A 38 -29.573 7.643 -1.228 1.00 37.65 H new ATOM 0 HD23 LEU A 38 -29.619 9.200 -1.512 1.00 37.65 H new ATOM 353 N LEU A 39 -29.079 8.993 -6.661 1.00 34.99 N ATOM 354 CA LEU A 39 -28.318 8.501 -7.854 1.00 34.77 C ATOM 355 C LEU A 39 -26.837 8.891 -7.788 1.00 34.41 C ATOM 356 O LEU A 39 -25.968 8.079 -8.080 1.00 40.14 O ATOM 357 CB LEU A 39 -28.988 8.990 -9.152 1.00 35.65 C ATOM 358 CG LEU A 39 -29.708 7.891 -9.931 1.00 40.30 C ATOM 359 CD1 LEU A 39 -30.769 8.450 -10.867 1.00 39.45 C ATOM 360 CD2 LEU A 39 -28.710 7.043 -10.702 1.00 37.78 C ATOM 0 H LEU A 39 -29.766 9.475 -6.850 1.00 34.99 H new ATOM 0 HA LEU A 39 -28.343 7.531 -7.850 1.00 34.77 H new ATOM 0 HB2 LEU A 39 -29.624 9.689 -8.933 1.00 35.65 H new ATOM 0 HB3 LEU A 39 -28.313 9.389 -9.723 1.00 35.65 H new ATOM 0 HG LEU A 39 -30.164 7.331 -9.283 1.00 40.30 H new ATOM 0 HD11 LEU A 39 -31.200 7.721 -11.340 1.00 39.45 H new ATOM 0 HD12 LEU A 39 -31.431 8.937 -10.352 1.00 39.45 H new ATOM 0 HD13 LEU A 39 -30.353 9.049 -11.507 1.00 39.45 H new ATOM 0 HD21 LEU A 39 -29.182 6.351 -11.190 1.00 37.78 H new ATOM 0 HD22 LEU A 39 -28.223 7.603 -11.326 1.00 37.78 H new ATOM 0 HD23 LEU A 39 -28.087 6.633 -10.082 1.00 37.78 H new ATOM 361 N PRO A 40 -26.446 10.148 -7.489 1.00 41.80 N ATOM 362 CA PRO A 40 -25.022 10.514 -7.513 1.00 44.80 C ATOM 363 C PRO A 40 -24.106 9.794 -6.508 1.00 44.98 C ATOM 364 O PRO A 40 -22.932 9.906 -6.694 1.00 41.86 O ATOM 365 CB PRO A 40 -25.013 12.034 -7.250 1.00 43.13 C ATOM 366 CG PRO A 40 -26.390 12.479 -7.667 1.00 44.89 C ATOM 367 CD PRO A 40 -27.305 11.329 -7.269 1.00 47.74 C ATOM 0 HA PRO A 40 -24.649 10.241 -8.366 1.00 44.80 H new ATOM 0 HB2 PRO A 40 -24.842 12.233 -6.316 1.00 43.13 H new ATOM 0 HB3 PRO A 40 -24.323 12.480 -7.766 1.00 43.13 H new ATOM 0 HG2 PRO A 40 -26.644 13.302 -7.221 1.00 44.89 H new ATOM 0 HG3 PRO A 40 -26.432 12.648 -8.621 1.00 44.89 H new ATOM 0 HD2 PRO A 40 -27.593 11.399 -6.345 1.00 47.74 H new ATOM 0 HD3 PRO A 40 -28.107 11.300 -7.815 1.00 47.74 H new ATOM 368 N LEU A 41 -24.621 8.979 -5.573 1.00 43.79 N ATOM 369 CA LEU A 41 -23.751 8.122 -4.719 1.00 41.17 C ATOM 370 C LEU A 41 -23.159 6.951 -5.507 1.00 44.62 C ATOM 371 O LEU A 41 -22.184 6.352 -5.000 1.00 48.42 O ATOM 372 CB LEU A 41 -24.526 7.630 -3.496 1.00 40.92 C ATOM 373 CG LEU A 41 -24.974 8.747 -2.555 1.00 43.73 C ATOM 374 CD1 LEU A 41 -25.941 8.225 -1.521 1.00 48.94 C ATOM 375 CD2 LEU A 41 -23.780 9.389 -1.882 1.00 45.84 C ATOM 0 H LEU A 41 -25.463 8.903 -5.413 1.00 43.79 H new ATOM 0 HA LEU A 41 -23.006 8.663 -4.414 1.00 41.17 H new ATOM 0 HB2 LEU A 41 -25.307 7.139 -3.795 1.00 40.92 H new ATOM 0 HB3 LEU A 41 -23.971 7.006 -3.002 1.00 40.92 H new ATOM 0 HG LEU A 41 -25.429 9.420 -3.085 1.00 43.73 H new ATOM 0 HD11 LEU A 41 -26.212 8.950 -0.936 1.00 48.94 H new ATOM 0 HD12 LEU A 41 -26.722 7.859 -1.964 1.00 48.94 H new ATOM 0 HD13 LEU A 41 -25.512 7.530 -0.998 1.00 48.94 H new ATOM 0 HD21 LEU A 41 -24.083 10.095 -1.289 1.00 45.84 H new ATOM 0 HD22 LEU A 41 -23.299 8.721 -1.369 1.00 45.84 H new ATOM 0 HD23 LEU A 41 -23.191 9.764 -2.556 1.00 45.84 H new ATOM 376 N PHE A 42 -23.692 6.611 -6.685 1.00 38.55 N ATOM 377 CA PHE A 42 -23.196 5.442 -7.459 1.00 40.38 C ATOM 378 C PHE A 42 -22.215 5.914 -8.530 1.00 40.40 C ATOM 379 O PHE A 42 -22.358 7.002 -9.049 1.00 44.17 O ATOM 380 CB PHE A 42 -24.365 4.671 -8.070 1.00 41.70 C ATOM 381 CG PHE A 42 -25.245 4.055 -7.021 1.00 40.77 C ATOM 382 CD1 PHE A 42 -24.867 2.875 -6.394 1.00 40.92 C ATOM 383 CD2 PHE A 42 -26.414 4.677 -6.621 1.00 39.71 C ATOM 384 CE1 PHE A 42 -25.661 2.319 -5.406 1.00 42.72 C ATOM 385 CE2 PHE A 42 -27.210 4.111 -5.638 1.00 44.16 C ATOM 386 CZ PHE A 42 -26.836 2.941 -5.033 1.00 41.70 C ATOM 0 H PHE A 42 -24.339 7.036 -7.060 1.00 38.55 H new ATOM 0 HA PHE A 42 -22.728 4.836 -6.863 1.00 40.38 H new ATOM 0 HB2 PHE A 42 -24.892 5.269 -8.622 1.00 41.70 H new ATOM 0 HB3 PHE A 42 -24.023 3.975 -8.653 1.00 41.70 H new ATOM 0 HD1 PHE A 42 -24.074 2.455 -6.640 1.00 40.92 H new ATOM 0 HD2 PHE A 42 -26.667 5.481 -7.015 1.00 39.71 H new ATOM 0 HE1 PHE A 42 -25.403 1.526 -4.993 1.00 42.72 H new ATOM 0 HE2 PHE A 42 -28.003 4.528 -5.388 1.00 44.16 H new ATOM 0 HZ PHE A 42 -27.372 2.566 -4.372 1.00 41.70 H new ATOM 387 N GLN A 43 -21.252 5.080 -8.872 1.00 40.96 N ATOM 388 CA AGLN A 43 -20.322 5.347 -9.993 0.50 41.01 C ATOM 389 CA BGLN A 43 -20.330 5.349 -9.995 0.50 41.84 C ATOM 390 C GLN A 43 -21.162 5.702 -11.225 1.00 39.62 C ATOM 391 O GLN A 43 -22.104 4.954 -11.532 1.00 40.34 O ATOM 392 CB AGLN A 43 -19.433 4.125 -10.250 0.50 41.13 C ATOM 393 CB BGLN A 43 -19.480 4.118 -10.291 0.50 43.15 C ATOM 394 CG AGLN A 43 -18.515 4.275 -11.459 0.50 40.13 C ATOM 395 CG BGLN A 43 -18.415 3.881 -9.245 0.50 43.69 C ATOM 396 CD AGLN A 43 -17.769 2.997 -11.755 0.50 41.87 C ATOM 397 CD BGLN A 43 -17.578 2.684 -9.600 0.50 44.28 C ATOM 398 OE1AGLN A 43 -16.918 2.592 -10.978 0.50 42.73 O ATOM 399 OE1BGLN A 43 -17.768 2.069 -10.653 0.50 37.96 O ATOM 400 NE2AGLN A 43 -18.103 2.333 -12.856 0.50 36.91 N ATOM 401 NE2BGLN A 43 -16.662 2.346 -8.705 0.50 43.89 N ATOM 0 H AGLN A 43 -21.106 4.335 -8.468 0.50 40.96 H new ATOM 0 H BGLN A 43 -21.102 4.336 -8.467 0.50 40.96 H new ATOM 0 HA AGLN A 43 -19.731 6.086 -9.780 0.50 41.84 H new ATOM 0 HA BGLN A 43 -19.739 6.082 -9.763 0.50 41.84 H new ATOM 0 HB2AGLN A 43 -18.892 3.958 -9.462 0.50 43.15 H new ATOM 0 HB2BGLN A 43 -20.054 3.338 -10.345 0.50 43.15 H new ATOM 0 HB3AGLN A 43 -19.997 3.346 -10.377 0.50 43.15 H new ATOM 0 HB3BGLN A 43 -19.059 4.221 -11.159 0.50 43.15 H new ATOM 0 HG2AGLN A 43 -19.039 4.531 -12.234 0.50 43.69 H new ATOM 0 HG2BGLN A 43 -17.850 4.666 -9.169 0.50 43.69 H new ATOM 0 HG3AGLN A 43 -17.880 4.990 -11.297 0.50 43.69 H new ATOM 0 HG3BGLN A 43 -18.830 3.746 -8.379 0.50 43.69 H new ATOM 0 HE21AGLN A 43 -18.707 2.648 -13.381 0.50 43.89 H new ATOM 0 HE21BGLN A 43 -16.571 2.810 -7.987 0.50 43.89 H new ATOM 0 HE22AGLN A 43 -17.715 1.589 -13.043 0.50 43.89 H new ATOM 0 HE22BGLN A 43 -16.158 1.663 -8.842 0.50 43.89 H new ATOM 402 N GLY A 44 -20.845 6.802 -11.878 1.00 39.83 N ATOM 403 CA GLY A 44 -21.564 7.221 -13.103 1.00 39.17 C ATOM 404 C GLY A 44 -22.979 7.719 -12.840 1.00 37.13 C ATOM 405 O GLY A 44 -23.693 7.925 -13.830 1.00 43.30 O ATOM 0 H GLY A 44 -20.214 7.335 -11.639 1.00 39.83 H new ATOM 0 HA2 GLY A 44 -21.058 7.923 -13.541 1.00 39.17 H new ATOM 0 HA3 GLY A 44 -21.602 6.472 -13.719 1.00 39.17 H new ATOM 406 N GLY A 45 -23.363 7.975 -11.579 1.00 37.56 N ATOM 407 CA GLY A 45 -24.732 8.403 -11.203 1.00 43.33 C ATOM 408 C GLY A 45 -24.923 9.910 -11.227 1.00 44.74 C ATOM 409 O GLY A 45 -26.051 10.359 -11.021 1.00 49.93 O ATOM 0 H GLY A 45 -22.831 7.905 -10.907 1.00 37.56 H new ATOM 0 HA2 GLY A 45 -25.369 7.994 -11.809 1.00 43.33 H new ATOM 0 HA3 GLY A 45 -24.934 8.073 -10.314 1.00 43.33 H new ATOM 410 N GLY A 46 -23.825 10.645 -11.393 1.00 50.03 N ATOM 411 CA GLY A 46 -23.754 12.114 -11.306 1.00 57.04 C ATOM 412 C GLY A 46 -23.851 12.755 -12.676 1.00 55.43 C ATOM 413 O GLY A 46 -23.539 12.076 -13.682 1.00 55.05 O ATOM 0 H GLY A 46 -23.062 10.289 -11.568 1.00 50.03 H new ATOM 0 HA2 GLY A 46 -24.472 12.441 -10.742 1.00 57.04 H new ATOM 0 HA3 GLY A 46 -22.921 12.375 -10.883 1.00 57.04 H new ATOM 414 N GLN A 47 -24.377 13.979 -12.718 1.00 55.59 N ATOM 415 CA GLN A 47 -24.241 14.879 -13.884 1.00 56.63 C ATOM 416 C GLN A 47 -22.755 15.230 -13.998 1.00 54.77 C ATOM 417 O GLN A 47 -22.244 15.131 -15.119 1.00 50.18 O ATOM 418 CB GLN A 47 -25.127 16.104 -13.729 1.00 55.85 C ATOM 419 CG GLN A 47 -25.080 17.005 -14.944 1.00 54.77 C ATOM 420 CD GLN A 47 -26.063 18.139 -14.793 1.00 60.09 C ATOM 421 OE1 GLN A 47 -26.636 18.367 -13.723 1.00 47.77 O ATOM 422 NE2 GLN A 47 -26.286 18.839 -15.890 1.00 55.98 N ATOM 0 H GLN A 47 -24.827 14.320 -12.069 1.00 55.59 H new ATOM 0 HA GLN A 47 -24.538 14.451 -14.702 1.00 56.63 H new ATOM 0 HB2 GLN A 47 -26.042 15.821 -13.574 1.00 55.85 H new ATOM 0 HB3 GLN A 47 -24.848 16.605 -12.947 1.00 55.85 H new ATOM 0 HG2 GLN A 47 -24.184 17.358 -15.058 1.00 54.77 H new ATOM 0 HG3 GLN A 47 -25.287 16.494 -15.742 1.00 54.77 H new ATOM 0 HE21 GLN A 47 -25.865 18.647 -16.615 1.00 55.98 H new ATOM 0 HE22 GLN A 47 -26.852 19.487 -15.879 1.00 55.98 H new ATOM 423 N PHE A 48 -22.096 15.495 -12.858 1.00 62.35 N ATOM 424 CA PHE A 48 -20.680 15.957 -12.744 1.00 79.73 C ATOM 425 C PHE A 48 -19.806 14.848 -12.116 1.00 91.48 C ATOM 426 O PHE A 48 -20.107 14.402 -10.993 1.00 94.37 O ATOM 427 CB PHE A 48 -20.632 17.282 -11.965 1.00 75.53 C ATOM 428 CG PHE A 48 -21.786 18.224 -12.237 1.00 66.53 C ATOM 429 CD1 PHE A 48 -21.933 18.829 -13.477 1.00 68.64 C ATOM 430 CD2 PHE A 48 -22.753 18.463 -11.272 1.00 59.64 C ATOM 431 CE1 PHE A 48 -23.002 19.678 -13.730 1.00 71.80 C ATOM 432 CE2 PHE A 48 -23.826 19.302 -11.529 1.00 62.47 C ATOM 433 CZ PHE A 48 -23.949 19.914 -12.756 1.00 66.18 C ATOM 0 H PHE A 48 -22.473 15.409 -12.090 1.00 62.35 H new ATOM 0 HA PHE A 48 -20.311 16.131 -13.624 1.00 79.73 H new ATOM 0 HB2 PHE A 48 -20.611 17.083 -11.016 1.00 75.53 H new ATOM 0 HB3 PHE A 48 -19.803 17.738 -12.178 1.00 75.53 H new ATOM 0 HD1 PHE A 48 -21.309 18.664 -14.146 1.00 68.64 H new ATOM 0 HD2 PHE A 48 -22.680 18.054 -10.440 1.00 59.64 H new ATOM 0 HE1 PHE A 48 -23.080 20.089 -14.560 1.00 71.80 H new ATOM 0 HE2 PHE A 48 -24.465 19.452 -10.870 1.00 62.47 H new ATOM 0 HZ PHE A 48 -24.665 20.482 -12.927 1.00 66.18 H new ATOM 434 N SER A 49 -18.748 14.421 -12.822 1.00107.44 N ATOM 435 CA SER A 49 -17.870 13.269 -12.469 1.00115.42 C ATOM 436 C SER A 49 -16.435 13.747 -12.208 1.00111.34 C ATOM 437 O SER A 49 -15.996 13.617 -11.044 1.00107.93 O ATOM 438 CB SER A 49 -17.910 12.212 -13.551 1.00112.27 C ATOM 439 OG SER A 49 -19.253 11.915 -13.917 1.00106.19 O ATOM 0 H SER A 49 -18.506 14.806 -13.552 1.00107.44 H new ATOM 0 HA SER A 49 -18.204 12.866 -11.652 1.00115.42 H new ATOM 0 HB2 SER A 49 -17.419 12.520 -14.329 1.00112.27 H new ATOM 0 HB3 SER A 49 -17.470 11.406 -13.238 1.00112.27 H new ATOM 0 HG SER A 49 -19.257 11.329 -14.518 1.00106.19 H new ATOM 440 N SER A 56 -14.040 4.610 -5.401 1.00 87.43 N ATOM 441 CA SER A 56 -14.579 4.731 -4.015 1.00 93.90 C ATOM 442 C SER A 56 -16.105 4.541 -3.999 1.00 86.49 C ATOM 443 O SER A 56 -16.601 3.883 -3.060 1.00 94.00 O ATOM 444 CB SER A 56 -14.196 6.054 -3.386 1.00 91.92 C ATOM 445 OG SER A 56 -14.454 7.138 -4.273 1.00 89.02 O ATOM 0 HA SER A 56 -14.180 4.024 -3.484 1.00 93.90 H new ATOM 0 HB2 SER A 56 -14.694 6.180 -2.563 1.00 91.92 H new ATOM 0 HB3 SER A 56 -13.255 6.043 -3.150 1.00 91.92 H new ATOM 0 HG SER A 56 -14.487 6.853 -5.062 1.00 89.02 H new ATOM 446 N SER A 57 -16.820 5.112 -4.982 1.00 72.72 N ATOM 447 CA SER A 57 -18.294 4.984 -5.148 1.00 61.90 C ATOM 448 C SER A 57 -18.651 3.560 -5.562 1.00 55.17 C ATOM 449 O SER A 57 -18.002 2.975 -6.436 1.00 52.43 O ATOM 450 CB SER A 57 -18.821 5.974 -6.151 1.00 60.11 C ATOM 451 OG SER A 57 -18.956 7.242 -5.545 1.00 60.26 O ATOM 0 H SER A 57 -16.457 5.599 -5.590 1.00 72.72 H new ATOM 0 HA SER A 57 -18.713 5.180 -4.295 1.00 61.90 H new ATOM 0 HB2 SER A 57 -18.219 6.031 -6.909 1.00 60.11 H new ATOM 0 HB3 SER A 57 -19.679 5.676 -6.492 1.00 60.11 H new ATOM 0 HG SER A 57 -19.249 7.792 -6.108 1.00 60.26 H new ATOM 452 N PRO A 58 -19.692 2.937 -4.971 1.00 47.65 N ATOM 453 CA PRO A 58 -20.098 1.604 -5.402 1.00 46.04 C ATOM 454 C PRO A 58 -20.652 1.658 -6.832 1.00 42.32 C ATOM 455 O PRO A 58 -21.209 2.696 -7.236 1.00 39.67 O ATOM 456 CB PRO A 58 -21.215 1.247 -4.429 1.00 43.63 C ATOM 457 CG PRO A 58 -21.787 2.556 -4.071 1.00 46.82 C ATOM 458 CD PRO A 58 -20.578 3.464 -3.932 1.00 46.82 C ATOM 0 HA PRO A 58 -19.368 0.965 -5.404 1.00 46.04 H new ATOM 0 HB2 PRO A 58 -21.876 0.668 -4.840 1.00 43.63 H new ATOM 0 HB3 PRO A 58 -20.875 0.780 -3.650 1.00 43.63 H new ATOM 0 HG2 PRO A 58 -22.394 2.877 -4.756 1.00 46.82 H new ATOM 0 HG3 PRO A 58 -22.292 2.508 -3.244 1.00 46.82 H new ATOM 0 HD2 PRO A 58 -20.803 4.396 -4.083 1.00 46.82 H new ATOM 0 HD3 PRO A 58 -20.179 3.407 -3.050 1.00 46.82 H new ATOM 459 N GLU A 59 -20.450 0.580 -7.574 1.00 39.44 N ATOM 460 CA GLU A 59 -21.081 0.412 -8.895 1.00 40.92 C ATOM 461 C GLU A 59 -22.477 -0.168 -8.628 1.00 42.36 C ATOM 462 O GLU A 59 -22.616 -0.968 -7.692 1.00 41.14 O ATOM 463 CB GLU A 59 -20.207 -0.450 -9.800 1.00 42.88 C ATOM 464 CG GLU A 59 -20.808 -0.610 -11.203 1.00 54.56 C ATOM 465 CD GLU A 59 -21.954 -1.615 -11.426 1.00 52.69 C ATOM 466 OE1 GLU A 59 -21.817 -2.794 -10.973 1.00 47.90 O ATOM 467 OE2 GLU A 59 -22.962 -1.244 -12.125 1.00 50.58 O ATOM 0 H GLU A 59 -19.948 -0.077 -7.336 1.00 39.44 H new ATOM 0 HA GLU A 59 -21.174 1.249 -9.377 1.00 40.92 H new ATOM 0 HB2 GLU A 59 -19.325 -0.052 -9.871 1.00 42.88 H new ATOM 0 HB3 GLU A 59 -20.091 -1.325 -9.398 1.00 42.88 H new ATOM 0 HG2 GLU A 59 -21.127 0.262 -11.484 1.00 54.56 H new ATOM 0 HG3 GLU A 59 -20.086 -0.855 -11.803 1.00 54.56 H new ATOM 468 N PHE A 60 -23.457 0.231 -9.429 1.00 38.41 N ATOM 469 CA PHE A 60 -24.917 0.033 -9.222 1.00 40.44 C ATOM 470 C PHE A 60 -25.321 -1.451 -9.121 1.00 40.83 C ATOM 471 O PHE A 60 -26.029 -1.790 -8.179 1.00 38.91 O ATOM 472 CB PHE A 60 -25.648 0.700 -10.385 1.00 39.45 C ATOM 473 CG PHE A 60 -27.143 0.584 -10.344 1.00 38.93 C ATOM 474 CD1 PHE A 60 -27.864 1.255 -9.372 1.00 35.13 C ATOM 475 CD2 PHE A 60 -27.807 -0.222 -11.260 1.00 39.89 C ATOM 476 CE1 PHE A 60 -29.243 1.177 -9.361 1.00 40.55 C ATOM 477 CE2 PHE A 60 -29.186 -0.280 -11.252 1.00 38.47 C ATOM 478 CZ PHE A 60 -29.894 0.397 -10.287 1.00 39.17 C ATOM 0 H PHE A 60 -23.291 0.654 -10.159 1.00 38.41 H new ATOM 0 HA PHE A 60 -25.162 0.433 -8.373 1.00 40.44 H new ATOM 0 HB2 PHE A 60 -25.410 1.640 -10.402 1.00 39.45 H new ATOM 0 HB3 PHE A 60 -25.330 0.312 -11.215 1.00 39.45 H new ATOM 0 HD1 PHE A 60 -27.421 1.758 -8.727 1.00 35.13 H new ATOM 0 HD2 PHE A 60 -27.323 -0.722 -11.878 1.00 39.89 H new ATOM 0 HE1 PHE A 60 -29.731 1.652 -8.727 1.00 40.55 H new ATOM 0 HE2 PHE A 60 -29.635 -0.776 -11.898 1.00 38.47 H new ATOM 0 HZ PHE A 60 -30.821 0.327 -10.261 1.00 39.17 H new ATOM 479 N LEU A 61 -24.932 -2.287 -10.082 1.00 37.87 N ATOM 480 CA LEU A 61 -25.311 -3.724 -10.121 1.00 39.65 C ATOM 481 C LEU A 61 -24.568 -4.513 -9.042 1.00 36.08 C ATOM 482 O LEU A 61 -25.185 -5.387 -8.526 1.00 41.45 O ATOM 483 CB LEU A 61 -25.019 -4.315 -11.499 1.00 37.74 C ATOM 484 CG LEU A 61 -25.915 -3.796 -12.619 1.00 38.85 C ATOM 485 CD1 LEU A 61 -25.701 -4.597 -13.887 1.00 36.53 C ATOM 486 CD2 LEU A 61 -27.371 -3.853 -12.231 1.00 36.37 C ATOM 0 H LEU A 61 -24.436 -2.045 -10.741 1.00 37.87 H new ATOM 0 HA LEU A 61 -26.263 -3.789 -9.947 1.00 39.65 H new ATOM 0 HB2 LEU A 61 -24.095 -4.129 -11.728 1.00 37.74 H new ATOM 0 HB3 LEU A 61 -25.110 -5.279 -11.450 1.00 37.74 H new ATOM 0 HG LEU A 61 -25.673 -2.870 -12.777 1.00 38.85 H new ATOM 0 HD11 LEU A 61 -26.278 -4.254 -14.588 1.00 36.53 H new ATOM 0 HD12 LEU A 61 -24.775 -4.522 -14.165 1.00 36.53 H new ATOM 0 HD13 LEU A 61 -25.913 -5.529 -13.721 1.00 36.53 H new ATOM 0 HD21 LEU A 61 -27.914 -3.517 -12.961 1.00 36.37 H new ATOM 0 HD22 LEU A 61 -27.619 -4.771 -12.039 1.00 36.37 H new ATOM 0 HD23 LEU A 61 -27.518 -3.307 -11.442 1.00 36.37 H new ATOM 487 N ASP A 62 -23.293 -4.235 -8.778 1.00 37.36 N ATOM 488 CA AASP A 62 -22.523 -4.839 -7.653 0.50 41.79 C ATOM 489 CA BASP A 62 -22.530 -4.843 -7.659 0.50 42.15 C ATOM 490 C ASP A 62 -23.285 -4.580 -6.346 1.00 42.21 C ATOM 491 O ASP A 62 -23.472 -5.512 -5.589 1.00 47.05 O ATOM 492 CB AASP A 62 -21.088 -4.303 -7.551 0.50 41.92 C ATOM 493 CB BASP A 62 -21.092 -4.321 -7.640 0.50 42.90 C ATOM 494 CG AASP A 62 -20.231 -4.981 -6.480 0.50 43.34 C ATOM 495 CG BASP A 62 -20.205 -4.925 -8.723 0.50 44.45 C ATOM 496 OD1AASP A 62 -19.794 -6.146 -6.685 0.50 41.91 O ATOM 497 OD1BASP A 62 -20.472 -6.078 -9.152 0.50 43.63 O ATOM 498 OD2AASP A 62 -20.027 -4.357 -5.421 0.50 46.49 O ATOM 499 OD2BASP A 62 -19.238 -4.240 -9.117 0.50 50.61 O ATOM 0 H AASP A 62 -22.831 -3.682 -9.248 0.50 37.36 H new ATOM 0 H BASP A 62 -22.830 -3.681 -9.245 0.50 37.36 H new ATOM 0 HA AASP A 62 -22.442 -5.791 -7.822 0.50 42.15 H new ATOM 0 HA BASP A 62 -22.462 -5.803 -7.777 0.50 42.15 H new ATOM 0 HB2AASP A 62 -20.653 -4.409 -8.412 0.50 42.90 H new ATOM 0 HB2BASP A 62 -21.105 -3.357 -7.745 0.50 42.90 H new ATOM 0 HB3AASP A 62 -21.123 -3.351 -7.366 0.50 42.90 H new ATOM 0 HB3BASP A 62 -20.701 -4.507 -6.772 0.50 42.90 H new ATOM 500 N HIS A 63 -23.727 -3.345 -6.124 1.00 40.34 N ATOM 501 CA AHIS A 63 -24.413 -2.948 -4.875 0.54 39.28 C ATOM 502 CA BHIS A 63 -24.413 -2.945 -4.873 0.46 39.17 C ATOM 503 C HIS A 63 -25.771 -3.646 -4.814 1.00 40.50 C ATOM 504 O HIS A 63 -26.185 -4.046 -3.705 1.00 37.76 O ATOM 505 CB AHIS A 63 -24.509 -1.430 -4.780 0.54 37.63 C ATOM 506 CB BHIS A 63 -24.509 -1.423 -4.770 0.46 37.45 C ATOM 507 CG AHIS A 63 -25.253 -0.963 -3.582 0.54 37.78 C ATOM 508 CG BHIS A 63 -25.297 -0.942 -3.601 0.46 37.35 C ATOM 509 ND1AHIS A 63 -26.580 -0.592 -3.646 0.54 38.60 N ATOM 510 ND1BHIS A 63 -26.642 -0.648 -3.699 0.46 37.34 N ATOM 511 CD2AHIS A 63 -24.865 -0.799 -2.295 0.54 37.65 C ATOM 512 CD2BHIS A 63 -24.937 -0.680 -2.321 0.46 37.06 C ATOM 513 CE1AHIS A 63 -26.977 -0.219 -2.435 0.54 37.77 C ATOM 514 CE1BHIS A 63 -27.076 -0.235 -2.513 0.46 37.60 C ATOM 515 NE2AHIS A 63 -25.943 -0.330 -1.597 0.54 36.72 N ATOM 516 NE2BHIS A 63 -26.049 -0.238 -1.658 0.46 35.90 N ATOM 0 H AHIS A 63 -23.641 -2.704 -6.691 0.54 40.34 H new ATOM 0 H BHIS A 63 -23.642 -2.705 -6.692 0.46 40.34 H new ATOM 0 HA AHIS A 63 -23.903 -3.231 -4.100 0.54 39.17 H new ATOM 0 HA BHIS A 63 -23.901 -3.226 -4.098 0.46 39.17 H new ATOM 0 HB2AHIS A 63 -23.614 -1.056 -4.764 0.54 37.45 H new ATOM 0 HB2BHIS A 63 -23.613 -1.055 -4.718 0.46 37.45 H new ATOM 0 HB3AHIS A 63 -24.944 -1.089 -5.577 0.54 37.45 H new ATOM 0 HB3BHIS A 63 -24.911 -1.078 -5.583 0.46 37.45 H new ATOM 0 HD1AHIS A 63 -27.069 -0.601 -4.353 0.54 37.34 H new ATOM 0 HD1BHIS A 63 -27.120 -0.720 -4.410 0.46 37.34 H new ATOM 0 HD2AHIS A 63 -24.020 -0.974 -1.949 0.54 37.06 H new ATOM 0 HD2BHIS A 63 -24.087 -0.782 -1.958 0.46 37.06 H new ATOM 0 HE1AHIS A 63 -27.831 0.071 -2.209 0.54 37.60 H new ATOM 0 HE1BHIS A 63 -27.949 0.015 -2.312 0.46 37.60 H new ATOM 517 N ILE A 64 -26.418 -3.836 -5.958 1.00 38.19 N ATOM 518 CA ILE A 64 -27.698 -4.599 -5.934 1.00 40.15 C ATOM 519 C ILE A 64 -27.413 -6.011 -5.424 1.00 39.85 C ATOM 520 O ILE A 64 -28.149 -6.426 -4.540 1.00 37.21 O ATOM 521 CB ILE A 64 -28.440 -4.596 -7.276 1.00 38.16 C ATOM 522 CG1 ILE A 64 -29.240 -3.309 -7.442 1.00 35.09 C ATOM 523 CG2 ILE A 64 -29.364 -5.799 -7.366 1.00 36.48 C ATOM 524 CD1 ILE A 64 -29.641 -3.079 -8.848 1.00 39.88 C ATOM 0 H ILE A 64 -26.163 -3.554 -6.730 1.00 38.19 H new ATOM 0 HA ILE A 64 -28.309 -4.153 -5.327 1.00 40.15 H new ATOM 0 HB ILE A 64 -27.785 -4.647 -7.990 1.00 38.16 H new ATOM 0 HG12 ILE A 64 -30.032 -3.348 -6.883 1.00 35.09 H new ATOM 0 HG13 ILE A 64 -28.710 -2.558 -7.131 1.00 35.09 H new ATOM 0 HG21 ILE A 64 -29.828 -5.788 -8.218 1.00 36.48 H new ATOM 0 HG22 ILE A 64 -28.843 -6.614 -7.293 1.00 36.48 H new ATOM 0 HG23 ILE A 64 -30.012 -5.764 -6.645 1.00 36.48 H new ATOM 0 HD11 ILE A 64 -30.146 -2.253 -8.910 1.00 39.88 H new ATOM 0 HD12 ILE A 64 -28.849 -3.016 -9.404 1.00 39.88 H new ATOM 0 HD13 ILE A 64 -30.191 -3.817 -9.153 1.00 39.88 H new ATOM 525 N ARG A 65 -26.401 -6.696 -5.974 1.00 38.17 N ATOM 526 CA ARG A 65 -25.991 -8.042 -5.508 1.00 39.70 C ATOM 527 C ARG A 65 -25.819 -7.999 -3.983 1.00 42.40 C ATOM 528 O ARG A 65 -26.318 -8.890 -3.308 1.00 39.83 O ATOM 529 CB ARG A 65 -24.716 -8.495 -6.219 1.00 43.22 C ATOM 530 CG ARG A 65 -24.276 -9.914 -5.887 1.00 50.91 C ATOM 531 CD ARG A 65 -25.261 -11.021 -6.253 1.00 55.13 C ATOM 532 NE ARG A 65 -25.365 -11.293 -7.694 1.00 55.89 N ATOM 533 CZ ARG A 65 -26.194 -12.192 -8.222 1.00 50.07 C ATOM 534 NH1 ARG A 65 -27.007 -12.882 -7.442 1.00 49.51 N ATOM 535 NH2 ARG A 65 -26.224 -12.391 -9.528 1.00 52.96 N ATOM 0 H ARG A 65 -25.930 -6.397 -6.628 1.00 38.17 H new ATOM 0 HA ARG A 65 -26.674 -8.695 -5.726 1.00 39.70 H new ATOM 0 HB2 ARG A 65 -24.852 -8.427 -7.177 1.00 43.22 H new ATOM 0 HB3 ARG A 65 -23.998 -7.884 -5.990 1.00 43.22 H new ATOM 0 HG2 ARG A 65 -23.437 -10.088 -6.341 1.00 50.91 H new ATOM 0 HG3 ARG A 65 -24.099 -9.965 -4.935 1.00 50.91 H new ATOM 0 HD2 ARG A 65 -24.996 -11.837 -5.800 1.00 55.13 H new ATOM 0 HD3 ARG A 65 -26.139 -10.782 -5.916 1.00 55.13 H new ATOM 0 HE ARG A 65 -24.861 -10.845 -8.228 1.00 55.89 H new ATOM 0 HH11 ARG A 65 -27.001 -12.751 -6.592 1.00 49.51 H new ATOM 0 HH12 ARG A 65 -27.542 -13.462 -7.784 1.00 49.51 H new ATOM 0 HH21 ARG A 65 -25.706 -11.938 -10.044 1.00 52.96 H new ATOM 0 HH22 ARG A 65 -26.762 -12.973 -9.862 1.00 52.96 H new ATOM 536 N LYS A 66 -25.149 -6.977 -3.462 1.00 44.94 N ATOM 537 CA LYS A 66 -24.821 -6.875 -2.014 1.00 46.44 C ATOM 538 C LYS A 66 -26.115 -6.676 -1.223 1.00 45.86 C ATOM 539 O LYS A 66 -26.281 -7.315 -0.168 1.00 43.52 O ATOM 540 CB LYS A 66 -23.862 -5.711 -1.748 1.00 42.46 C ATOM 541 CG LYS A 66 -22.440 -5.898 -2.251 1.00 45.55 C ATOM 542 CD LYS A 66 -21.483 -4.901 -1.629 1.00 53.72 C ATOM 543 CE LYS A 66 -20.219 -4.630 -2.414 1.00 57.10 C ATOM 544 NZ LYS A 66 -19.677 -5.858 -3.029 1.00 63.41 N ATOM 0 H LYS A 66 -24.864 -6.313 -3.929 1.00 44.94 H new ATOM 0 HA LYS A 66 -24.383 -7.693 -1.733 1.00 46.44 H new ATOM 0 HB2 LYS A 66 -24.229 -4.912 -2.157 1.00 42.46 H new ATOM 0 HB3 LYS A 66 -23.831 -5.552 -0.792 1.00 42.46 H new ATOM 0 HG2 LYS A 66 -22.143 -6.799 -2.050 1.00 45.55 H new ATOM 0 HG3 LYS A 66 -22.424 -5.802 -3.216 1.00 45.55 H new ATOM 0 HD2 LYS A 66 -21.953 -4.062 -1.503 1.00 53.72 H new ATOM 0 HD3 LYS A 66 -21.235 -5.222 -0.748 1.00 53.72 H new ATOM 0 HE2 LYS A 66 -20.403 -3.976 -3.107 1.00 57.10 H new ATOM 0 HE3 LYS A 66 -19.552 -4.241 -1.827 1.00 57.10 H new ATOM 0 HZ1 LYS A 66 -18.790 -5.857 -2.962 1.00 63.41 H new ATOM 0 HZ2 LYS A 66 -20.005 -6.571 -2.609 1.00 63.41 H new ATOM 0 HZ3 LYS A 66 -19.909 -5.888 -3.888 1.00 63.41 H new ATOM 545 N VAL A 67 -26.998 -5.810 -1.717 1.00 44.23 N ATOM 546 CA VAL A 67 -28.332 -5.576 -1.097 1.00 41.92 C ATOM 547 C VAL A 67 -29.080 -6.914 -0.995 1.00 45.76 C ATOM 548 O VAL A 67 -29.541 -7.250 0.107 1.00 35.36 O ATOM 549 CB VAL A 67 -29.142 -4.552 -1.900 1.00 40.89 C ATOM 550 CG1 VAL A 67 -30.620 -4.545 -1.504 1.00 41.35 C ATOM 551 CG2 VAL A 67 -28.556 -3.159 -1.779 1.00 40.62 C ATOM 0 H VAL A 67 -26.853 -5.336 -2.420 1.00 44.23 H new ATOM 0 HA VAL A 67 -28.210 -5.209 -0.207 1.00 41.92 H new ATOM 0 HB VAL A 67 -29.087 -4.827 -2.829 1.00 40.89 H new ATOM 0 HG11 VAL A 67 -31.094 -3.885 -2.034 1.00 41.35 H new ATOM 0 HG12 VAL A 67 -31.002 -5.422 -1.663 1.00 41.35 H new ATOM 0 HG13 VAL A 67 -30.702 -4.323 -0.563 1.00 41.35 H new ATOM 0 HG21 VAL A 67 -29.090 -2.537 -2.297 1.00 40.62 H new ATOM 0 HG22 VAL A 67 -28.556 -2.887 -0.848 1.00 40.62 H new ATOM 0 HG23 VAL A 67 -27.646 -3.160 -2.115 1.00 40.62 H new ATOM 552 N MET A 68 -29.225 -7.637 -2.112 1.00 39.99 N ATOM 553 CA MET A 68 -29.999 -8.898 -2.144 1.00 42.40 C ATOM 554 C MET A 68 -29.306 -9.950 -1.238 1.00 45.55 C ATOM 555 O MET A 68 -30.011 -10.799 -0.664 1.00 41.80 O ATOM 556 CB MET A 68 -30.164 -9.414 -3.576 1.00 41.48 C ATOM 557 CG MET A 68 -30.780 -8.406 -4.511 1.00 44.36 C ATOM 558 SD MET A 68 -32.450 -7.871 -4.054 1.00 46.47 S ATOM 559 CE MET A 68 -33.437 -9.090 -4.903 1.00 49.87 C ATOM 0 H MET A 68 -28.882 -7.416 -2.869 1.00 39.99 H new ATOM 0 HA MET A 68 -30.891 -8.729 -1.803 1.00 42.40 H new ATOM 0 HB2 MET A 68 -29.295 -9.675 -3.920 1.00 41.48 H new ATOM 0 HB3 MET A 68 -30.716 -10.212 -3.563 1.00 41.48 H new ATOM 0 HG2 MET A 68 -30.204 -7.627 -4.552 1.00 44.36 H new ATOM 0 HG3 MET A 68 -30.808 -8.785 -5.403 1.00 44.36 H new ATOM 0 HE1 MET A 68 -34.340 -9.080 -4.548 1.00 49.87 H new ATOM 0 HE2 MET A 68 -33.461 -8.884 -5.851 1.00 49.87 H new ATOM 0 HE3 MET A 68 -33.048 -9.969 -4.773 1.00 49.87 H new ATOM 560 N LEU A 69 -27.987 -9.887 -1.055 1.00 47.62 N ATOM 561 CA LEU A 69 -27.253 -10.811 -0.155 1.00 44.37 C ATOM 562 C LEU A 69 -27.589 -10.447 1.288 1.00 41.41 C ATOM 563 O LEU A 69 -27.692 -11.347 2.096 1.00 43.24 O ATOM 564 CB LEU A 69 -25.741 -10.741 -0.396 1.00 45.48 C ATOM 565 CG LEU A 69 -25.232 -11.530 -1.605 1.00 54.49 C ATOM 566 CD1 LEU A 69 -23.846 -11.087 -2.008 1.00 55.08 C ATOM 567 CD2 LEU A 69 -25.210 -13.023 -1.322 1.00 61.14 C ATOM 0 H LEU A 69 -27.483 -9.310 -1.446 1.00 47.62 H new ATOM 0 HA LEU A 69 -27.526 -11.723 -0.338 1.00 44.37 H new ATOM 0 HB2 LEU A 69 -25.489 -9.811 -0.507 1.00 45.48 H new ATOM 0 HB3 LEU A 69 -25.287 -11.065 0.397 1.00 45.48 H new ATOM 0 HG LEU A 69 -25.848 -11.352 -2.333 1.00 54.49 H new ATOM 0 HD11 LEU A 69 -23.551 -11.603 -2.774 1.00 55.08 H new ATOM 0 HD12 LEU A 69 -23.862 -10.145 -2.240 1.00 55.08 H new ATOM 0 HD13 LEU A 69 -23.234 -11.227 -1.269 1.00 55.08 H new ATOM 0 HD21 LEU A 69 -24.884 -13.496 -2.104 1.00 61.14 H new ATOM 0 HD22 LEU A 69 -24.625 -13.201 -0.569 1.00 61.14 H new ATOM 0 HD23 LEU A 69 -26.107 -13.326 -1.112 1.00 61.14 H new ATOM 568 N VAL A 70 -27.760 -9.174 1.608 1.00 39.80 N ATOM 569 CA VAL A 70 -28.137 -8.782 2.992 1.00 41.48 C ATOM 570 C VAL A 70 -29.578 -9.216 3.236 1.00 43.74 C ATOM 571 O VAL A 70 -29.839 -9.747 4.313 1.00 41.11 O ATOM 572 CB VAL A 70 -27.915 -7.297 3.280 1.00 40.86 C ATOM 573 CG1 VAL A 70 -28.504 -6.891 4.616 1.00 42.93 C ATOM 574 CG2 VAL A 70 -26.428 -6.945 3.215 1.00 43.02 C ATOM 0 H VAL A 70 -27.668 -8.518 1.059 1.00 39.80 H new ATOM 0 HA VAL A 70 -27.550 -9.236 3.617 1.00 41.48 H new ATOM 0 HB VAL A 70 -28.379 -6.796 2.591 1.00 40.86 H new ATOM 0 HG11 VAL A 70 -28.345 -5.946 4.766 1.00 42.93 H new ATOM 0 HG12 VAL A 70 -29.459 -7.062 4.614 1.00 42.93 H new ATOM 0 HG13 VAL A 70 -28.085 -7.405 5.324 1.00 42.93 H new ATOM 0 HG21 VAL A 70 -26.311 -6.000 3.400 1.00 43.02 H new ATOM 0 HG22 VAL A 70 -25.943 -7.466 3.874 1.00 43.02 H new ATOM 0 HG23 VAL A 70 -26.086 -7.145 2.330 1.00 43.02 H new ATOM 575 N ILE A 71 -30.482 -9.025 2.278 1.00 43.31 N ATOM 576 CA ILE A 71 -31.897 -9.444 2.476 1.00 43.37 C ATOM 577 C ILE A 71 -31.906 -10.977 2.627 1.00 44.10 C ATOM 578 O ILE A 71 -32.620 -11.507 3.513 1.00 41.41 O ATOM 579 CB ILE A 71 -32.801 -8.910 1.348 1.00 41.68 C ATOM 580 CG1 ILE A 71 -32.862 -7.375 1.382 1.00 45.57 C ATOM 581 CG2 ILE A 71 -34.191 -9.529 1.418 1.00 39.49 C ATOM 582 CD1 ILE A 71 -33.667 -6.754 0.253 1.00 46.86 C ATOM 0 H ILE A 71 -30.315 -8.663 1.516 1.00 43.31 H new ATOM 0 HA ILE A 71 -32.273 -9.058 3.282 1.00 43.37 H new ATOM 0 HB ILE A 71 -32.413 -9.171 0.498 1.00 41.68 H new ATOM 0 HG12 ILE A 71 -33.244 -7.096 2.229 1.00 45.57 H new ATOM 0 HG13 ILE A 71 -31.958 -7.025 1.350 1.00 45.57 H new ATOM 0 HG21 ILE A 71 -34.739 -9.177 0.699 1.00 39.49 H new ATOM 0 HG22 ILE A 71 -34.121 -10.492 1.329 1.00 39.49 H new ATOM 0 HG23 ILE A 71 -34.599 -9.312 2.271 1.00 39.49 H new ATOM 0 HD11 ILE A 71 -33.659 -5.788 0.343 1.00 46.86 H new ATOM 0 HD12 ILE A 71 -33.275 -7.003 -0.599 1.00 46.86 H new ATOM 0 HD13 ILE A 71 -34.582 -7.074 0.293 1.00 46.86 H new ATOM 583 N ASP A 72 -31.079 -11.674 1.858 1.00 41.74 N ATOM 584 CA ASP A 72 -30.980 -13.152 1.923 1.00 42.10 C ATOM 585 C ASP A 72 -30.644 -13.569 3.352 1.00 42.64 C ATOM 586 O ASP A 72 -31.278 -14.462 3.874 1.00 46.02 O ATOM 587 CB ASP A 72 -29.931 -13.685 0.961 1.00 47.30 C ATOM 588 CG ASP A 72 -30.041 -15.183 0.756 1.00 47.89 C ATOM 589 OD1 ASP A 72 -31.098 -15.610 0.319 1.00 47.55 O ATOM 590 OD2 ASP A 72 -29.057 -15.901 1.019 1.00 56.53 O ATOM 0 H ASP A 72 -30.554 -11.314 1.279 1.00 41.74 H new ATOM 0 HA ASP A 72 -31.834 -13.529 1.660 1.00 42.10 H new ATOM 0 HB2 ASP A 72 -30.023 -13.237 0.106 1.00 47.30 H new ATOM 0 HB3 ASP A 72 -29.047 -13.472 1.300 1.00 47.30 H new ATOM 591 N ALA A 73 -29.684 -12.915 3.976 1.00 42.19 N ATOM 592 CA ALA A 73 -29.259 -13.209 5.355 1.00 40.34 C ATOM 593 C ALA A 73 -30.426 -12.922 6.292 1.00 39.51 C ATOM 594 O ALA A 73 -30.626 -13.677 7.213 1.00 44.71 O ATOM 595 CB ALA A 73 -28.041 -12.389 5.722 1.00 45.48 C ATOM 0 H ALA A 73 -29.244 -12.272 3.612 1.00 42.19 H new ATOM 0 HA ALA A 73 -29.008 -14.143 5.434 1.00 40.34 H new ATOM 0 HB1 ALA A 73 -27.775 -12.594 6.632 1.00 45.48 H new ATOM 0 HB2 ALA A 73 -27.313 -12.601 5.117 1.00 45.48 H new ATOM 0 HB3 ALA A 73 -28.253 -11.445 5.653 1.00 45.48 H new ATOM 596 N ALA A 74 -31.192 -11.869 6.053 1.00 38.66 N ATOM 597 CA ALA A 74 -32.335 -11.545 6.924 1.00 36.62 C ATOM 598 C ALA A 74 -33.376 -12.651 6.777 1.00 43.55 C ATOM 599 O ALA A 74 -33.966 -13.025 7.799 1.00 41.26 O ATOM 600 CB ALA A 74 -32.902 -10.200 6.616 1.00 36.32 C ATOM 0 H ALA A 74 -31.076 -11.325 5.397 1.00 38.66 H new ATOM 0 HA ALA A 74 -32.039 -11.500 7.847 1.00 36.62 H new ATOM 0 HB1 ALA A 74 -33.650 -10.021 7.207 1.00 36.32 H new ATOM 0 HB2 ALA A 74 -32.219 -9.523 6.746 1.00 36.32 H new ATOM 0 HB3 ALA A 74 -33.206 -10.180 5.695 1.00 36.32 H new ATOM 601 N VAL A 75 -33.553 -13.178 5.566 1.00 44.93 N ATOM 602 CA VAL A 75 -34.634 -14.154 5.267 1.00 44.06 C ATOM 603 C VAL A 75 -34.251 -15.473 5.938 1.00 47.20 C ATOM 604 O VAL A 75 -35.128 -16.058 6.597 1.00 49.27 O ATOM 605 CB VAL A 75 -34.908 -14.291 3.759 1.00 39.07 C ATOM 606 CG1 VAL A 75 -35.693 -15.555 3.430 1.00 40.68 C ATOM 607 CG2 VAL A 75 -35.667 -13.086 3.240 1.00 38.43 C ATOM 0 H VAL A 75 -33.058 -12.988 4.889 1.00 44.93 H new ATOM 0 HA VAL A 75 -35.479 -13.842 5.626 1.00 44.06 H new ATOM 0 HB VAL A 75 -34.043 -14.347 3.324 1.00 39.07 H new ATOM 0 HG11 VAL A 75 -35.844 -15.603 2.473 1.00 40.68 H new ATOM 0 HG12 VAL A 75 -35.189 -16.333 3.717 1.00 40.68 H new ATOM 0 HG13 VAL A 75 -36.546 -15.535 3.891 1.00 40.68 H new ATOM 0 HG21 VAL A 75 -35.830 -13.191 2.290 1.00 38.43 H new ATOM 0 HG22 VAL A 75 -36.514 -13.011 3.707 1.00 38.43 H new ATOM 0 HG23 VAL A 75 -35.143 -12.284 3.391 1.00 38.43 H new ATOM 608 N THR A 76 -32.968 -15.820 5.873 1.00 44.97 N ATOM 609 CA THR A 76 -32.345 -17.005 6.501 1.00 45.32 C ATOM 610 C THR A 76 -32.564 -16.943 8.013 1.00 52.55 C ATOM 611 O THR A 76 -32.742 -17.990 8.607 1.00 54.60 O ATOM 612 CB THR A 76 -30.861 -17.098 6.127 1.00 53.30 C ATOM 613 OG1 THR A 76 -30.831 -17.390 4.729 1.00 43.93 O ATOM 614 CG2 THR A 76 -30.083 -18.148 6.901 1.00 50.19 C ATOM 0 H THR A 76 -32.397 -15.347 5.437 1.00 44.97 H new ATOM 0 HA THR A 76 -32.763 -17.815 6.169 1.00 45.32 H new ATOM 0 HB THR A 76 -30.425 -16.261 6.353 1.00 53.30 H new ATOM 0 HG1 THR A 76 -30.943 -16.681 4.292 1.00 43.93 H new ATOM 0 HG21 THR A 76 -29.158 -18.146 6.609 1.00 50.19 H new ATOM 0 HG22 THR A 76 -30.123 -17.947 7.849 1.00 50.19 H new ATOM 0 HG23 THR A 76 -30.470 -19.023 6.739 1.00 50.19 H new ATOM 615 N ASN A 77 -32.572 -15.755 8.604 1.00 50.07 N ATOM 616 CA ASN A 77 -32.706 -15.561 10.064 1.00 44.71 C ATOM 617 C ASN A 77 -34.035 -14.881 10.390 1.00 46.56 C ATOM 618 O ASN A 77 -34.066 -14.193 11.394 1.00 41.50 O ATOM 619 CB ASN A 77 -31.547 -14.729 10.595 1.00 48.85 C ATOM 620 CG ASN A 77 -30.241 -15.468 10.449 1.00 51.58 C ATOM 621 OD1 ASN A 77 -29.474 -15.195 9.532 1.00 58.03 O ATOM 622 ND2 ASN A 77 -30.002 -16.429 11.326 1.00 52.71 N ATOM 0 H ASN A 77 -32.499 -15.017 8.168 1.00 50.07 H new ATOM 0 HA ASN A 77 -32.688 -16.431 10.494 1.00 44.71 H new ATOM 0 HB2 ASN A 77 -31.502 -13.887 10.115 1.00 48.85 H new ATOM 0 HB3 ASN A 77 -31.699 -14.515 11.529 1.00 48.85 H new ATOM 0 HD21 ASN A 77 -29.282 -16.895 11.268 1.00 52.71 H new ATOM 0 HD22 ASN A 77 -30.567 -16.588 11.955 1.00 52.71 H new ATOM 623 N VAL A 78 -35.082 -15.063 9.577 1.00 40.83 N ATOM 624 CA VAL A 78 -36.359 -14.311 9.750 1.00 45.59 C ATOM 625 C VAL A 78 -36.986 -14.617 11.133 1.00 55.07 C ATOM 626 O VAL A 78 -37.733 -13.756 11.671 1.00 49.55 O ATOM 627 CB VAL A 78 -37.336 -14.647 8.617 1.00 45.45 C ATOM 628 CG1 VAL A 78 -37.590 -16.153 8.515 1.00 49.10 C ATOM 629 CG2 VAL A 78 -38.636 -13.886 8.771 1.00 50.77 C ATOM 0 H VAL A 78 -35.084 -15.614 8.917 1.00 40.83 H new ATOM 0 HA VAL A 78 -36.167 -13.361 9.711 1.00 45.59 H new ATOM 0 HB VAL A 78 -36.921 -14.366 7.787 1.00 45.45 H new ATOM 0 HG11 VAL A 78 -38.210 -16.328 7.790 1.00 49.10 H new ATOM 0 HG12 VAL A 78 -36.753 -16.612 8.342 1.00 49.10 H new ATOM 0 HG13 VAL A 78 -37.968 -16.475 9.348 1.00 49.10 H new ATOM 0 HG21 VAL A 78 -39.234 -14.116 8.043 1.00 50.77 H new ATOM 0 HG22 VAL A 78 -39.050 -14.121 9.616 1.00 50.77 H new ATOM 0 HG23 VAL A 78 -38.457 -12.933 8.753 1.00 50.77 H new ATOM 630 N GLU A 79 -36.777 -15.828 11.658 1.00 58.08 N ATOM 631 CA AGLU A 79 -37.428 -16.264 12.927 0.50 60.75 C ATOM 632 CA BGLU A 79 -37.388 -16.306 12.929 0.50 62.90 C ATOM 633 C GLU A 79 -36.779 -15.499 14.086 1.00 62.89 C ATOM 634 O GLU A 79 -37.503 -15.217 15.051 1.00 77.98 O ATOM 635 CB AGLU A 79 -37.373 -17.784 13.124 0.50 55.98 C ATOM 636 CB BGLU A 79 -37.170 -17.815 13.090 0.50 60.81 C ATOM 637 CG AGLU A 79 -36.215 -18.263 13.984 0.50 56.17 C ATOM 638 CG BGLU A 79 -36.997 -18.573 11.771 0.50 65.17 C ATOM 639 CD AGLU A 79 -36.096 -19.774 14.116 0.50 58.78 C ATOM 640 CD BGLU A 79 -35.596 -18.531 11.160 0.50 62.90 C ATOM 641 OE1AGLU A 79 -36.270 -20.288 15.255 0.50 60.94 O ATOM 642 OE1BGLU A 79 -35.493 -18.534 9.931 0.50 49.31 O ATOM 643 OE2AGLU A 79 -35.821 -20.435 13.090 0.50 48.81 O ATOM 644 OE2BGLU A 79 -34.604 -18.492 11.924 0.50 70.53 O ATOM 0 H AGLU A 79 -36.264 -16.420 11.303 0.50 58.08 H new ATOM 0 H BGLU A 79 -36.268 -16.413 11.286 0.50 58.08 H new ATOM 0 HA AGLU A 79 -38.374 -16.053 12.891 0.50 62.90 H new ATOM 0 HA BGLU A 79 -38.348 -16.166 12.924 0.50 62.90 H new ATOM 0 HB2AGLU A 79 -38.205 -18.077 13.528 0.50 60.81 H new ATOM 0 HB2BGLU A 79 -36.384 -17.960 13.640 0.50 60.81 H new ATOM 0 HB3AGLU A 79 -37.314 -18.210 12.255 0.50 60.81 H new ATOM 0 HB3BGLU A 79 -37.925 -18.190 13.570 0.50 60.81 H new ATOM 0 HG2AGLU A 79 -35.388 -17.918 13.611 0.50 65.17 H new ATOM 0 HG2BGLU A 79 -37.241 -19.501 11.916 0.50 65.17 H new ATOM 0 HG3AGLU A 79 -36.308 -17.880 14.871 0.50 65.17 H new ATOM 0 HG3BGLU A 79 -37.624 -18.212 11.125 0.50 65.17 H new ATOM 645 N ASP A 80 -35.496 -15.136 13.948 1.00 61.11 N ATOM 646 CA ASP A 80 -34.716 -14.398 14.977 1.00 67.73 C ATOM 647 C ASP A 80 -33.469 -13.756 14.347 1.00 60.72 C ATOM 648 O ASP A 80 -32.563 -14.499 13.931 1.00 58.17 O ATOM 649 CB ASP A 80 -34.360 -15.346 16.124 1.00 75.78 C ATOM 650 CG ASP A 80 -33.374 -14.799 17.141 1.00 73.20 C ATOM 651 OD1 ASP A 80 -33.398 -13.581 17.401 1.00 67.92 O ATOM 652 OD2 ASP A 80 -32.606 -15.608 17.682 1.00 78.44 O ATOM 0 H ASP A 80 -35.039 -15.313 13.241 1.00 61.11 H new ATOM 0 HA ASP A 80 -35.253 -13.676 15.341 1.00 67.73 H new ATOM 0 HB2 ASP A 80 -35.177 -15.590 16.587 1.00 75.78 H new ATOM 0 HB3 ASP A 80 -33.994 -16.161 15.747 1.00 75.78 H new ATOM 653 N LEU A 81 -33.404 -12.419 14.380 1.00 65.05 N ATOM 654 CA LEU A 81 -32.468 -11.556 13.597 1.00 61.30 C ATOM 655 C LEU A 81 -31.231 -11.179 14.425 1.00 66.21 C ATOM 656 O LEU A 81 -30.374 -10.426 13.922 1.00 69.39 O ATOM 657 CB LEU A 81 -33.266 -10.315 13.182 1.00 63.09 C ATOM 658 CG LEU A 81 -33.104 -9.816 11.746 1.00 67.17 C ATOM 659 CD1 LEU A 81 -33.228 -10.931 10.720 1.00 63.23 C ATOM 660 CD2 LEU A 81 -34.113 -8.713 11.473 1.00 69.98 C ATOM 0 H LEU A 81 -33.927 -11.957 14.882 1.00 65.05 H new ATOM 0 HA LEU A 81 -32.132 -12.026 12.818 1.00 61.30 H new ATOM 0 HB2 LEU A 81 -34.206 -10.501 13.329 1.00 63.09 H new ATOM 0 HB3 LEU A 81 -33.024 -9.590 13.779 1.00 63.09 H new ATOM 0 HG LEU A 81 -32.205 -9.463 11.657 1.00 67.17 H new ATOM 0 HD11 LEU A 81 -33.118 -10.564 9.829 1.00 63.23 H new ATOM 0 HD12 LEU A 81 -32.542 -11.598 10.882 1.00 63.23 H new ATOM 0 HD13 LEU A 81 -34.103 -11.343 10.794 1.00 63.23 H new ATOM 0 HD21 LEU A 81 -34.009 -8.397 10.562 1.00 69.98 H new ATOM 0 HD22 LEU A 81 -35.011 -9.058 11.595 1.00 69.98 H new ATOM 0 HD23 LEU A 81 -33.964 -7.978 12.088 1.00 69.98 H new ATOM 661 N SER A 82 -31.102 -11.708 15.641 1.00 65.88 N ATOM 662 CA SER A 82 -30.162 -11.179 16.661 1.00 67.84 C ATOM 663 C SER A 82 -28.720 -11.574 16.309 1.00 60.27 C ATOM 664 O SER A 82 -27.824 -10.744 16.527 1.00 60.03 O ATOM 665 CB SER A 82 -30.584 -11.576 18.079 1.00 76.56 C ATOM 666 OG SER A 82 -30.483 -12.977 18.275 1.00 77.67 O ATOM 0 H SER A 82 -31.555 -12.388 15.909 1.00 65.88 H new ATOM 0 HA SER A 82 -30.195 -10.210 16.650 1.00 67.84 H new ATOM 0 HB2 SER A 82 -30.026 -11.116 18.725 1.00 76.56 H new ATOM 0 HB3 SER A 82 -31.497 -11.290 18.239 1.00 76.56 H new ATOM 0 HG SER A 82 -31.221 -13.339 18.100 1.00 77.67 H new ATOM 667 N SER A 83 -28.482 -12.744 15.716 1.00 55.69 N ATOM 668 CA SER A 83 -27.144 -13.089 15.161 1.00 60.23 C ATOM 669 C SER A 83 -26.679 -12.020 14.143 1.00 70.56 C ATOM 670 O SER A 83 -25.484 -12.037 13.773 1.00 64.39 O ATOM 671 CB SER A 83 -27.156 -14.455 14.534 1.00 63.24 C ATOM 672 OG SER A 83 -27.516 -14.405 13.157 1.00 67.78 O ATOM 0 H SER A 83 -29.074 -13.360 15.619 1.00 55.69 H new ATOM 0 HA SER A 83 -26.510 -13.103 15.895 1.00 60.23 H new ATOM 0 HB2 SER A 83 -26.279 -14.859 14.624 1.00 63.24 H new ATOM 0 HB3 SER A 83 -27.781 -15.024 15.011 1.00 63.24 H new ATOM 0 HG SER A 83 -27.512 -15.182 12.838 1.00 67.78 H new ATOM 673 N LEU A 84 -27.581 -11.146 13.663 1.00 64.84 N ATOM 674 CA LEU A 84 -27.274 -10.197 12.554 1.00 70.90 C ATOM 675 C LEU A 84 -27.105 -8.752 13.064 1.00 66.65 C ATOM 676 O LEU A 84 -26.602 -7.924 12.289 1.00 54.73 O ATOM 677 CB LEU A 84 -28.381 -10.284 11.493 1.00 61.17 C ATOM 678 CG LEU A 84 -28.129 -11.289 10.386 1.00 55.82 C ATOM 679 CD1 LEU A 84 -29.167 -11.152 9.293 1.00 62.65 C ATOM 680 CD2 LEU A 84 -26.732 -11.114 9.818 1.00 66.98 C ATOM 0 H LEU A 84 -28.384 -11.082 13.964 1.00 64.84 H new ATOM 0 HA LEU A 84 -26.426 -10.451 12.156 1.00 70.90 H new ATOM 0 HB2 LEU A 84 -29.215 -10.510 11.933 1.00 61.17 H new ATOM 0 HB3 LEU A 84 -28.499 -9.407 11.095 1.00 61.17 H new ATOM 0 HG LEU A 84 -28.199 -12.180 10.762 1.00 55.82 H new ATOM 0 HD11 LEU A 84 -28.990 -11.802 8.595 1.00 62.65 H new ATOM 0 HD12 LEU A 84 -30.050 -11.309 9.663 1.00 62.65 H new ATOM 0 HD13 LEU A 84 -29.128 -10.258 8.919 1.00 62.65 H new ATOM 0 HD21 LEU A 84 -26.586 -11.763 9.112 1.00 66.98 H new ATOM 0 HD22 LEU A 84 -26.639 -10.218 9.458 1.00 66.98 H new ATOM 0 HD23 LEU A 84 -26.077 -11.249 10.521 1.00 66.98 H new ATOM 681 N GLU A 85 -27.459 -8.467 14.318 1.00 60.68 N ATOM 682 CA GLU A 85 -27.557 -7.082 14.841 1.00 70.66 C ATOM 683 C GLU A 85 -26.185 -6.405 14.775 1.00 69.71 C ATOM 684 O GLU A 85 -26.165 -5.198 14.528 1.00 72.99 O ATOM 685 CB GLU A 85 -28.176 -7.065 16.242 1.00 76.66 C ATOM 686 CG GLU A 85 -29.697 -6.988 16.196 1.00 93.41 C ATOM 687 CD GLU A 85 -30.455 -7.528 17.405 1.00113.94 C ATOM 688 OE1 GLU A 85 -29.860 -7.611 18.515 1.00119.76 O ATOM 689 OE2 GLU A 85 -31.646 -7.888 17.230 1.00108.70 O ATOM 0 H GLU A 85 -27.652 -9.070 14.900 1.00 60.68 H new ATOM 0 HA GLU A 85 -28.158 -6.565 14.282 1.00 70.66 H new ATOM 0 HB2 GLU A 85 -27.908 -7.864 16.722 1.00 76.66 H new ATOM 0 HB3 GLU A 85 -27.830 -6.307 16.738 1.00 76.66 H new ATOM 0 HG2 GLU A 85 -29.948 -6.059 16.073 1.00 93.41 H new ATOM 0 HG3 GLU A 85 -30.000 -7.470 15.411 1.00 93.41 H new ATOM 690 N GLU A 86 -25.093 -7.145 14.975 1.00 66.03 N ATOM 691 CA AGLU A 86 -23.728 -6.555 14.934 0.50 68.66 C ATOM 692 CA BGLU A 86 -23.697 -6.627 14.905 0.50 68.66 C ATOM 693 C GLU A 86 -23.486 -6.023 13.514 1.00 65.51 C ATOM 694 O GLU A 86 -23.096 -4.835 13.399 1.00 68.22 O ATOM 695 CB AGLU A 86 -22.662 -7.576 15.353 0.50 71.03 C ATOM 696 CB BGLU A 86 -22.673 -7.739 15.222 0.50 70.61 C ATOM 697 CG AGLU A 86 -21.413 -6.971 15.974 0.50 67.82 C ATOM 698 CG BGLU A 86 -22.247 -8.672 14.063 0.50 68.77 C ATOM 699 CD AGLU A 86 -21.359 -7.068 17.495 0.50 70.47 C ATOM 700 CD BGLU A 86 -23.309 -9.575 13.434 0.50 55.74 C ATOM 701 OE1AGLU A 86 -22.436 -7.049 18.145 0.50 57.44 O ATOM 702 OE1BGLU A 86 -24.481 -9.434 13.788 0.50 51.20 O ATOM 703 OE2AGLU A 86 -20.240 -7.167 18.031 0.50 70.38 O ATOM 704 OE2BGLU A 86 -22.963 -10.407 12.580 0.50 53.95 O ATOM 0 H AGLU A 86 -25.109 -7.990 15.136 0.50 66.03 H new ATOM 0 H BGLU A 86 -25.132 -7.984 15.160 0.50 66.03 H new ATOM 0 HA AGLU A 86 -23.662 -5.826 15.570 0.50 68.66 H new ATOM 0 HA BGLU A 86 -23.558 -5.940 15.575 0.50 68.66 H new ATOM 0 HB2AGLU A 86 -23.056 -8.195 15.987 0.50 70.61 H new ATOM 0 HB2BGLU A 86 -21.874 -7.318 15.576 0.50 70.61 H new ATOM 0 HB3AGLU A 86 -22.403 -8.093 14.574 0.50 70.61 H new ATOM 0 HB3BGLU A 86 -23.040 -8.291 15.930 0.50 70.61 H new ATOM 0 HG2AGLU A 86 -20.633 -7.414 15.604 0.50 68.77 H new ATOM 0 HG2BGLU A 86 -21.874 -8.119 13.359 0.50 68.77 H new ATOM 0 HG3AGLU A 86 -21.357 -6.037 15.718 0.50 68.77 H new ATOM 0 HG3BGLU A 86 -21.530 -9.239 14.388 0.50 68.77 H new ATOM 705 N TYR A 87 -23.761 -6.840 12.502 1.00 61.10 N ATOM 706 CA TYR A 87 -23.478 -6.552 11.079 1.00 56.94 C ATOM 707 C TYR A 87 -24.342 -5.372 10.641 1.00 56.54 C ATOM 708 O TYR A 87 -23.816 -4.408 10.067 1.00 59.34 O ATOM 709 CB TYR A 87 -23.774 -7.773 10.230 1.00 56.47 C ATOM 710 CG TYR A 87 -23.649 -7.471 8.770 1.00 55.89 C ATOM 711 CD1 TYR A 87 -22.406 -7.303 8.193 1.00 53.15 C ATOM 712 CD2 TYR A 87 -24.777 -7.314 7.997 1.00 49.95 C ATOM 713 CE1 TYR A 87 -22.285 -7.018 6.846 1.00 59.46 C ATOM 714 CE2 TYR A 87 -24.673 -7.022 6.654 1.00 56.79 C ATOM 715 CZ TYR A 87 -23.429 -6.861 6.081 1.00 53.78 C ATOM 716 OH TYR A 87 -23.353 -6.566 4.763 1.00 55.27 O ATOM 0 H TYR A 87 -24.131 -7.607 12.620 1.00 61.10 H new ATOM 0 HA TYR A 87 -22.541 -6.329 10.966 1.00 56.94 H new ATOM 0 HB2 TYR A 87 -23.163 -8.489 10.467 1.00 56.47 H new ATOM 0 HB3 TYR A 87 -24.671 -8.091 10.420 1.00 56.47 H new ATOM 0 HD1 TYR A 87 -21.642 -7.383 8.717 1.00 53.15 H new ATOM 0 HD2 TYR A 87 -25.617 -7.406 8.385 1.00 49.95 H new ATOM 0 HE1 TYR A 87 -21.444 -6.933 6.457 1.00 59.46 H new ATOM 0 HE2 TYR A 87 -25.440 -6.934 6.135 1.00 56.79 H new ATOM 0 HH TYR A 87 -23.724 -7.174 4.318 1.00 55.27 H new ATOM 717 N LEU A 88 -25.619 -5.421 11.001 1.00 49.56 N ATOM 718 CA LEU A 88 -26.624 -4.458 10.517 1.00 52.73 C ATOM 719 C LEU A 88 -26.313 -3.099 11.152 1.00 56.36 C ATOM 720 O LEU A 88 -26.375 -2.103 10.449 1.00 54.24 O ATOM 721 CB LEU A 88 -28.024 -5.002 10.821 1.00 51.77 C ATOM 722 CG LEU A 88 -28.484 -6.191 9.953 1.00 53.46 C ATOM 723 CD1 LEU A 88 -29.922 -6.589 10.289 1.00 48.00 C ATOM 724 CD2 LEU A 88 -28.368 -5.867 8.470 1.00 50.21 C ATOM 0 H LEU A 88 -25.936 -6.015 11.536 1.00 49.56 H new ATOM 0 HA LEU A 88 -26.595 -4.334 9.555 1.00 52.73 H new ATOM 0 HB2 LEU A 88 -28.052 -5.273 11.752 1.00 51.77 H new ATOM 0 HB3 LEU A 88 -28.663 -4.280 10.716 1.00 51.77 H new ATOM 0 HG LEU A 88 -27.899 -6.939 10.151 1.00 53.46 H new ATOM 0 HD11 LEU A 88 -30.189 -7.337 9.732 1.00 48.00 H new ATOM 0 HD12 LEU A 88 -29.977 -6.846 11.223 1.00 48.00 H new ATOM 0 HD13 LEU A 88 -30.513 -5.837 10.125 1.00 48.00 H new ATOM 0 HD21 LEU A 88 -28.663 -6.630 7.948 1.00 50.21 H new ATOM 0 HD22 LEU A 88 -28.923 -5.099 8.262 1.00 50.21 H new ATOM 0 HD23 LEU A 88 -27.444 -5.666 8.254 1.00 50.21 H new ATOM 725 N THR A 89 -25.906 -3.072 12.419 1.00 58.77 N ATOM 726 CA THR A 89 -25.519 -1.838 13.158 1.00 59.40 C ATOM 727 C THR A 89 -24.377 -1.153 12.395 1.00 50.61 C ATOM 728 O THR A 89 -24.442 0.054 12.131 1.00 57.68 O ATOM 729 CB THR A 89 -25.139 -2.183 14.615 1.00 65.04 C ATOM 730 OG1 THR A 89 -26.376 -2.315 15.328 1.00 65.63 O ATOM 731 CG2 THR A 89 -24.245 -1.150 15.267 1.00 63.27 C ATOM 0 H THR A 89 -25.841 -3.784 12.897 1.00 58.77 H new ATOM 0 HA THR A 89 -26.265 -1.220 13.209 1.00 59.40 H new ATOM 0 HB THR A 89 -24.618 -3.001 14.630 1.00 65.04 H new ATOM 0 HG1 THR A 89 -26.642 -3.111 15.284 1.00 65.63 H new ATOM 0 HG21 THR A 89 -24.044 -1.423 16.176 1.00 63.27 H new ATOM 0 HG22 THR A 89 -23.420 -1.071 14.763 1.00 63.27 H new ATOM 0 HG23 THR A 89 -24.698 -0.292 15.281 1.00 63.27 H new ATOM 732 N SER A 90 -23.353 -1.931 12.095 1.00 43.77 N ATOM 733 CA SER A 90 -22.173 -1.562 11.293 1.00 52.83 C ATOM 734 C SER A 90 -22.572 -1.109 9.866 1.00 58.62 C ATOM 735 O SER A 90 -21.919 -0.208 9.316 1.00 57.10 O ATOM 736 CB SER A 90 -21.250 -2.737 11.275 1.00 48.50 C ATOM 737 OG SER A 90 -20.140 -2.491 10.429 1.00 66.53 O ATOM 0 H SER A 90 -23.315 -2.746 12.367 1.00 43.77 H new ATOM 0 HA SER A 90 -21.722 -0.801 11.691 1.00 52.83 H new ATOM 0 HB2 SER A 90 -20.941 -2.925 12.175 1.00 48.50 H new ATOM 0 HB3 SER A 90 -21.727 -3.524 10.969 1.00 48.50 H new ATOM 0 HG SER A 90 -19.632 -3.160 10.432 1.00 66.53 H new ATOM 738 N LEU A 91 -23.562 -1.743 9.242 1.00 55.64 N ATOM 739 CA LEU A 91 -23.942 -1.423 7.841 1.00 55.23 C ATOM 740 C LEU A 91 -24.696 -0.090 7.844 1.00 53.28 C ATOM 741 O LEU A 91 -24.526 0.704 6.923 1.00 49.47 O ATOM 742 CB LEU A 91 -24.819 -2.543 7.283 1.00 52.24 C ATOM 743 CG LEU A 91 -25.088 -2.471 5.790 1.00 45.60 C ATOM 744 CD1 LEU A 91 -23.802 -2.609 5.011 1.00 49.16 C ATOM 745 CD2 LEU A 91 -26.056 -3.550 5.371 1.00 45.97 C ATOM 0 H LEU A 91 -24.034 -2.365 9.603 1.00 55.64 H new ATOM 0 HA LEU A 91 -23.155 -1.347 7.279 1.00 55.23 H new ATOM 0 HB2 LEU A 91 -24.397 -3.394 7.480 1.00 52.24 H new ATOM 0 HB3 LEU A 91 -25.669 -2.533 7.751 1.00 52.24 H new ATOM 0 HG LEU A 91 -25.481 -1.605 5.598 1.00 45.60 H new ATOM 0 HD11 LEU A 91 -23.992 -2.561 4.061 1.00 49.16 H new ATOM 0 HD12 LEU A 91 -23.197 -1.892 5.256 1.00 49.16 H new ATOM 0 HD13 LEU A 91 -23.390 -3.463 5.215 1.00 49.16 H new ATOM 0 HD21 LEU A 91 -26.216 -3.489 4.416 1.00 45.97 H new ATOM 0 HD22 LEU A 91 -25.682 -4.420 5.581 1.00 45.97 H new ATOM 0 HD23 LEU A 91 -26.894 -3.436 5.846 1.00 45.97 H new ATOM 746 N GLY A 92 -25.498 0.129 8.872 1.00 47.16 N ATOM 747 CA GLY A 92 -26.187 1.406 9.093 1.00 55.85 C ATOM 748 C GLY A 92 -25.198 2.548 9.231 1.00 58.50 C ATOM 749 O GLY A 92 -25.495 3.647 8.701 1.00 56.35 O ATOM 0 H GLY A 92 -25.665 -0.463 9.473 1.00 47.16 H new ATOM 0 HA2 GLY A 92 -26.789 1.584 8.353 1.00 55.85 H new ATOM 0 HA3 GLY A 92 -26.731 1.348 9.894 1.00 55.85 H new ATOM 750 N ARG A 93 -24.079 2.301 9.918 1.00 52.51 N ATOM 751 CA AARG A 93 -23.089 3.382 10.143 0.50 63.01 C ATOM 752 CA BARG A 93 -22.973 3.271 10.160 0.50 60.28 C ATOM 753 C ARG A 93 -22.423 3.698 8.796 1.00 56.84 C ATOM 754 O ARG A 93 -22.381 4.879 8.500 1.00 57.48 O ATOM 755 CB AARG A 93 -22.108 3.064 11.279 0.50 72.28 C ATOM 756 CB BARG A 93 -21.929 2.603 11.080 0.50 64.23 C ATOM 757 CG AARG A 93 -21.559 4.306 11.976 0.50 83.99 C ATOM 758 CG BARG A 93 -20.463 2.998 10.901 0.50 67.43 C ATOM 759 CD AARG A 93 -22.110 4.555 13.374 0.50 92.24 C ATOM 760 CD BARG A 93 -19.602 2.082 10.022 0.50 71.94 C ATOM 761 NE AARG A 93 -21.400 3.755 14.370 0.50100.29 N ATOM 762 NE BARG A 93 -18.974 0.902 10.635 0.50 70.47 N ATOM 763 CZ AARG A 93 -21.973 2.880 15.193 0.50 98.98 C ATOM 764 CZ BARG A 93 -18.770 0.719 11.940 0.50 69.30 C ATOM 765 NH1AARG A 93 -21.244 2.201 16.060 0.50 95.14 N ATOM 766 NH1BARG A 93 -18.193 -0.390 12.374 0.50 62.18 N ATOM 767 NH2AARG A 93 -23.278 2.706 15.167 0.50 96.72 N ATOM 768 NH2BARG A 93 -19.134 1.651 12.804 0.50 73.72 N ATOM 0 H AARG A 93 -23.871 1.539 10.257 0.50 52.51 H new ATOM 0 H BARG A 93 -23.927 1.534 10.276 0.50 52.51 H new ATOM 0 HA AARG A 93 -23.534 4.184 10.460 0.50 60.28 H new ATOM 0 HA BARG A 93 -23.266 4.075 10.617 0.50 60.28 H new ATOM 0 HB2AARG A 93 -22.554 2.505 11.934 0.50 64.23 H new ATOM 0 HB2BARG A 93 -22.178 2.791 11.999 0.50 64.23 H new ATOM 0 HB3AARG A 93 -21.368 2.548 10.922 0.50 64.23 H new ATOM 0 HB3BARG A 93 -21.996 1.643 10.958 0.50 64.23 H new ATOM 0 HG2AARG A 93 -20.594 4.229 12.032 0.50 67.43 H new ATOM 0 HG2BARG A 93 -20.435 3.892 10.525 0.50 67.43 H new ATOM 0 HG3AARG A 93 -21.750 5.081 11.425 0.50 67.43 H new ATOM 0 HG3BARG A 93 -20.054 3.046 11.779 0.50 67.43 H new ATOM 0 HD2AARG A 93 -22.029 5.496 13.594 0.50 71.94 H new ATOM 0 HD2BARG A 93 -20.156 1.773 9.288 0.50 71.94 H new ATOM 0 HD3AARG A 93 -23.055 4.339 13.395 0.50 71.94 H new ATOM 0 HD3BARG A 93 -18.896 2.624 9.636 0.50 71.94 H new ATOM 0 HE AARG A 93 -20.548 3.857 14.429 0.50 70.47 H new ATOM 0 HE BARG A 93 -18.716 0.275 10.106 0.50 70.47 H new ATOM 0 HH11AARG A 93 -20.393 2.323 16.095 0.50 62.18 H new ATOM 0 HH11BARG A 93 -17.948 -0.995 11.814 0.50 62.18 H new ATOM 0 HH12AARG A 93 -21.620 1.637 16.589 0.50 62.18 H new ATOM 0 HH12BARG A 93 -18.063 -0.506 13.216 0.50 62.18 H new ATOM 0 HH21AARG A 93 -23.761 3.158 14.618 0.50 73.72 H new ATOM 0 HH21BARG A 93 -19.503 2.376 12.525 0.50 73.72 H new ATOM 0 HH22AARG A 93 -23.647 2.140 15.699 0.50 73.72 H new ATOM 0 HH22BARG A 93 -19.002 1.532 13.646 0.50 73.72 H new ATOM 769 N LYS A 94 -22.009 2.697 8.017 1.00 53.07 N ATOM 770 CA LYS A 94 -21.420 2.881 6.673 1.00 54.36 C ATOM 771 C LYS A 94 -22.341 3.760 5.818 1.00 46.93 C ATOM 772 O LYS A 94 -21.827 4.681 5.203 1.00 51.69 O ATOM 773 CB LYS A 94 -21.153 1.535 6.006 1.00 56.16 C ATOM 774 CG LYS A 94 -19.992 0.761 6.606 1.00 66.52 C ATOM 775 CD LYS A 94 -19.441 -0.291 5.671 1.00 77.02 C ATOM 776 CE LYS A 94 -17.953 -0.513 5.832 1.00 87.45 C ATOM 777 NZ LYS A 94 -17.667 -1.176 7.121 1.00 94.56 N ATOM 0 H LYS A 94 -22.061 1.872 8.254 1.00 53.07 H new ATOM 0 HA LYS A 94 -20.565 3.331 6.762 1.00 54.36 H new ATOM 0 HB2 LYS A 94 -21.955 0.992 6.064 1.00 56.16 H new ATOM 0 HB3 LYS A 94 -20.978 1.682 5.063 1.00 56.16 H new ATOM 0 HG2 LYS A 94 -19.284 1.380 6.842 1.00 66.52 H new ATOM 0 HG3 LYS A 94 -20.283 0.336 7.428 1.00 66.52 H new ATOM 0 HD2 LYS A 94 -19.905 -1.128 5.826 1.00 77.02 H new ATOM 0 HD3 LYS A 94 -19.626 -0.030 4.755 1.00 77.02 H new ATOM 0 HE2 LYS A 94 -17.620 -1.057 5.101 1.00 87.45 H new ATOM 0 HE3 LYS A 94 -17.487 0.337 5.788 1.00 87.45 H new ATOM 0 HZ1 LYS A 94 -16.790 -1.300 7.203 1.00 94.56 H new ATOM 0 HZ2 LYS A 94 -17.957 -0.665 7.789 1.00 94.56 H new ATOM 0 HZ3 LYS A 94 -18.082 -1.963 7.149 1.00 94.56 H new ATOM 778 N HIS A 95 -23.655 3.567 5.881 1.00 46.17 N ATOM 779 CA AHIS A 95 -24.615 4.276 4.994 0.54 48.68 C ATOM 780 CA BHIS A 95 -24.605 4.275 4.984 0.46 47.40 C ATOM 781 C HIS A 95 -24.725 5.735 5.450 1.00 52.54 C ATOM 782 O HIS A 95 -24.690 6.636 4.551 1.00 47.63 O ATOM 783 CB AHIS A 95 -25.973 3.551 4.931 0.54 43.27 C ATOM 784 CB BHIS A 95 -25.918 3.474 4.846 0.46 41.07 C ATOM 785 CG AHIS A 95 -26.002 2.422 3.960 0.54 41.65 C ATOM 786 CG BHIS A 95 -25.772 2.332 3.894 0.46 38.67 C ATOM 787 ND1AHIS A 95 -25.925 1.109 4.355 0.54 39.36 N ATOM 788 ND1BHIS A 95 -25.186 1.137 4.263 0.46 35.24 N ATOM 789 CD2AHIS A 95 -26.051 2.417 2.605 0.54 39.70 C ATOM 790 CD2BHIS A 95 -26.036 2.235 2.566 0.46 35.02 C ATOM 791 CE1AHIS A 95 -25.953 0.335 3.291 0.54 40.87 C ATOM 792 CE1BHIS A 95 -25.132 0.336 3.214 0.46 35.22 C ATOM 793 NE2AHIS A 95 -26.017 1.119 2.199 0.54 38.94 N ATOM 794 NE2BHIS A 95 -25.647 0.994 2.157 0.46 34.41 N ATOM 0 H AHIS A 95 -24.028 3.024 6.434 0.54 46.17 H new ATOM 0 H BHIS A 95 -24.031 3.029 6.436 0.46 46.17 H new ATOM 0 HA AHIS A 95 -24.286 4.271 4.082 0.54 47.40 H new ATOM 0 HA BHIS A 95 -24.282 4.326 4.071 0.46 47.40 H new ATOM 0 HB2AHIS A 95 -26.192 3.214 5.814 0.54 41.07 H new ATOM 0 HB2BHIS A 95 -26.185 3.138 5.716 0.46 41.07 H new ATOM 0 HB3AHIS A 95 -26.662 4.191 4.692 0.54 41.07 H new ATOM 0 HB3BHIS A 95 -26.626 4.063 4.540 0.46 41.07 H new ATOM 0 HD1AHIS A 95 -25.868 0.836 5.168 0.54 35.24 H new ATOM 0 HD1BHIS A 95 -24.901 0.945 5.051 0.46 35.24 H new ATOM 0 HD2AHIS A 95 -26.099 3.164 2.054 0.54 35.02 H new ATOM 0 HD2BHIS A 95 -26.414 2.896 2.032 0.46 35.02 H new ATOM 0 HE1AHIS A 95 -25.932 -0.595 3.293 0.54 35.22 H new ATOM 0 HE1BHIS A 95 -24.797 -0.531 3.206 0.46 35.22 H new ATOM 795 N ARG A 96 -24.827 5.958 6.774 1.00 53.06 N ATOM 796 CA AARG A 96 -24.934 7.296 7.421 0.50 55.26 C ATOM 797 CA BARG A 96 -25.008 7.340 7.297 0.50 57.97 C ATOM 798 C ARG A 96 -23.733 8.143 7.005 1.00 53.49 C ATOM 799 O ARG A 96 -23.911 9.310 6.617 1.00 52.76 O ATOM 800 CB AARG A 96 -24.953 7.138 8.947 0.50 63.68 C ATOM 801 CB BARG A 96 -25.423 7.424 8.772 0.50 69.50 C ATOM 802 CG AARG A 96 -25.079 8.434 9.741 0.50 70.94 C ATOM 803 CG BARG A 96 -26.294 8.643 9.083 0.50 82.37 C ATOM 804 CD AARG A 96 -23.800 9.254 9.840 0.50 76.82 C ATOM 805 CD BARG A 96 -25.870 9.446 10.314 0.50 93.45 C ATOM 806 NE AARG A 96 -23.867 10.349 10.798 0.50 80.42 N ATOM 807 NE BARG A 96 -26.433 10.799 10.396 0.50 95.86 N ATOM 808 CZ AARG A 96 -22.923 10.613 11.687 0.50 79.83 C ATOM 809 CZ BARG A 96 -26.087 11.713 11.309 0.50 89.66 C ATOM 810 NH1AARG A 96 -23.049 11.640 12.508 0.50 78.38 N ATOM 811 NH1BARG A 96 -25.176 11.430 12.223 0.50 89.66 N ATOM 812 NH2AARG A 96 -21.847 9.851 11.735 0.50 79.72 N ATOM 813 NH2BARG A 96 -26.648 12.908 11.303 0.50 83.13 N ATOM 0 H AARG A 96 -24.837 5.314 7.344 0.50 53.06 H new ATOM 0 H BARG A 96 -24.796 5.344 7.375 0.50 53.06 H new ATOM 0 HA AARG A 96 -25.755 7.730 7.141 0.50 57.97 H new ATOM 0 HA BARG A 96 -25.765 7.729 6.831 0.50 57.97 H new ATOM 0 HB2AARG A 96 -25.692 6.557 9.187 0.50 69.50 H new ATOM 0 HB2BARG A 96 -25.906 6.618 9.013 0.50 69.50 H new ATOM 0 HB3AARG A 96 -24.138 6.688 9.220 0.50 69.50 H new ATOM 0 HB3BARG A 96 -24.627 7.453 9.325 0.50 69.50 H new ATOM 0 HG2AARG A 96 -25.768 8.982 9.333 0.50 82.37 H new ATOM 0 HG2BARG A 96 -26.289 9.232 8.312 0.50 82.37 H new ATOM 0 HG3AARG A 96 -25.381 8.220 10.638 0.50 82.37 H new ATOM 0 HG3BARG A 96 -27.209 8.346 9.207 0.50 82.37 H new ATOM 0 HD2AARG A 96 -23.069 8.666 10.086 0.50 93.45 H new ATOM 0 HD2BARG A 96 -26.128 8.954 11.109 0.50 93.45 H new ATOM 0 HD3AARG A 96 -23.591 9.616 8.965 0.50 93.45 H new ATOM 0 HD3BARG A 96 -24.902 9.512 10.323 0.50 93.45 H new ATOM 0 HE AARG A 96 -24.562 10.855 10.785 0.50 95.86 H new ATOM 0 HE BARG A 96 -27.028 11.020 9.815 0.50 95.86 H new ATOM 0 HH11AARG A 96 -23.747 12.141 12.466 0.50 89.66 H new ATOM 0 HH11BARG A 96 -24.803 10.655 12.233 0.50 89.66 H new ATOM 0 HH12AARG A 96 -22.433 11.808 13.084 0.50 89.66 H new ATOM 0 HH12BARG A 96 -24.956 12.020 12.808 0.50 89.66 H new ATOM 0 HH21AARG A 96 -21.764 9.190 11.192 0.50 83.13 H new ATOM 0 HH21BARG A 96 -27.240 13.102 10.710 0.50 83.13 H new ATOM 0 HH22AARG A 96 -21.229 10.016 12.310 0.50 83.13 H new ATOM 0 HH22BARG A 96 -26.422 13.492 11.892 0.50 83.13 H new ATOM 814 N ALA A 97 -22.549 7.537 7.120 1.00 44.92 N ATOM 815 CA ALA A 97 -21.253 8.176 6.829 1.00 47.20 C ATOM 816 C ALA A 97 -21.157 8.635 5.369 1.00 51.74 C ATOM 817 O ALA A 97 -20.381 9.536 5.147 1.00 55.79 O ATOM 818 CB ALA A 97 -20.116 7.233 7.151 1.00 51.73 C ATOM 0 H ALA A 97 -22.471 6.720 7.376 1.00 44.92 H new ATOM 0 HA ALA A 97 -21.186 8.963 7.392 1.00 47.20 H new ATOM 0 HB1 ALA A 97 -19.271 7.666 6.955 1.00 51.73 H new ATOM 0 HB2 ALA A 97 -20.147 6.997 8.091 1.00 51.73 H new ATOM 0 HB3 ALA A 97 -20.199 6.430 6.614 1.00 51.73 H new ATOM 819 N VAL A 98 -21.866 8.047 4.400 1.00 54.04 N ATOM 820 CA VAL A 98 -21.764 8.500 2.976 1.00 50.39 C ATOM 821 C VAL A 98 -22.982 9.344 2.595 1.00 45.16 C ATOM 822 O VAL A 98 -23.188 9.602 1.401 1.00 50.47 O ATOM 823 CB VAL A 98 -21.580 7.320 2.006 1.00 52.53 C ATOM 824 CG1 VAL A 98 -20.190 6.729 2.133 1.00 51.77 C ATOM 825 CG2 VAL A 98 -22.665 6.257 2.168 1.00 53.92 C ATOM 0 H VAL A 98 -22.408 7.392 4.529 1.00 54.04 H new ATOM 0 HA VAL A 98 -20.970 9.052 2.900 1.00 50.39 H new ATOM 0 HB VAL A 98 -21.676 7.670 1.106 1.00 52.53 H new ATOM 0 HG11 VAL A 98 -20.095 5.988 1.514 1.00 51.77 H new ATOM 0 HG12 VAL A 98 -19.529 7.408 1.927 1.00 51.77 H new ATOM 0 HG13 VAL A 98 -20.055 6.412 3.040 1.00 51.77 H new ATOM 0 HG21 VAL A 98 -22.508 5.536 1.539 1.00 53.92 H new ATOM 0 HG22 VAL A 98 -22.643 5.907 3.072 1.00 53.92 H new ATOM 0 HG23 VAL A 98 -23.534 6.652 1.996 1.00 53.92 H new ATOM 826 N GLY A 99 -23.817 9.710 3.550 1.00 46.59 N ATOM 827 CA GLY A 99 -24.906 10.671 3.304 1.00 52.13 C ATOM 828 C GLY A 99 -26.243 10.034 2.987 1.00 53.63 C ATOM 829 O GLY A 99 -27.109 10.741 2.436 1.00 58.27 O ATOM 0 H GLY A 99 -23.779 9.417 4.358 1.00 46.59 H new ATOM 0 HA2 GLY A 99 -25.007 11.236 4.086 1.00 52.13 H new ATOM 0 HA3 GLY A 99 -24.653 11.249 2.567 1.00 52.13 H new ATOM 830 N VAL A 100 -26.451 8.769 3.347 1.00 57.96 N ATOM 831 CA VAL A 100 -27.788 8.123 3.210 1.00 54.97 C ATOM 832 C VAL A 100 -28.541 8.299 4.527 1.00 62.93 C ATOM 833 O VAL A 100 -28.251 7.565 5.472 1.00 65.54 O ATOM 834 CB VAL A 100 -27.686 6.640 2.823 1.00 53.87 C ATOM 835 CG1 VAL A 100 -29.071 6.024 2.703 1.00 55.21 C ATOM 836 CG2 VAL A 100 -26.905 6.458 1.532 1.00 51.73 C ATOM 0 H VAL A 100 -25.842 8.257 3.673 1.00 57.96 H new ATOM 0 HA VAL A 100 -28.272 8.552 2.487 1.00 54.97 H new ATOM 0 HB VAL A 100 -27.203 6.181 3.528 1.00 53.87 H new ATOM 0 HG11 VAL A 100 -28.989 5.089 2.458 1.00 55.21 H new ATOM 0 HG12 VAL A 100 -29.532 6.096 3.553 1.00 55.21 H new ATOM 0 HG13 VAL A 100 -29.576 6.493 2.021 1.00 55.21 H new ATOM 0 HG21 VAL A 100 -26.857 5.514 1.313 1.00 51.73 H new ATOM 0 HG22 VAL A 100 -27.351 6.934 0.814 1.00 51.73 H new ATOM 0 HG23 VAL A 100 -26.008 6.810 1.644 1.00 51.73 H new ATOM 837 N ARG A 101 -29.489 9.229 4.563 1.00 65.08 N ATOM 838 CA ARG A 101 -30.290 9.519 5.775 1.00 66.81 C ATOM 839 C ARG A 101 -31.181 8.306 6.111 1.00 69.76 C ATOM 840 O ARG A 101 -31.586 7.548 5.188 1.00 64.45 O ATOM 841 CB ARG A 101 -31.084 10.818 5.563 1.00 77.06 C ATOM 842 CG ARG A 101 -30.242 12.064 5.272 1.00 85.20 C ATOM 843 CD ARG A 101 -30.946 13.126 4.426 1.00 87.03 C ATOM 844 NE ARG A 101 -31.390 12.604 3.121 1.00 98.24 N ATOM 845 CZ ARG A 101 -32.508 12.954 2.463 1.00 93.18 C ATOM 846 NH1 ARG A 101 -33.347 13.848 2.964 1.00 91.48 N ATOM 847 NH2 ARG A 101 -32.786 12.399 1.293 1.00 90.72 N ATOM 0 H ARG A 101 -29.695 9.718 3.886 1.00 65.08 H new ATOM 0 HA ARG A 101 -29.714 9.662 6.543 1.00 66.81 H new ATOM 0 HB2 ARG A 101 -31.702 10.685 4.827 1.00 77.06 H new ATOM 0 HB3 ARG A 101 -31.618 10.985 6.355 1.00 77.06 H new ATOM 0 HG2 ARG A 101 -29.975 12.464 6.115 1.00 85.20 H new ATOM 0 HG3 ARG A 101 -29.430 11.792 4.817 1.00 85.20 H new ATOM 0 HD2 ARG A 101 -31.713 13.467 4.913 1.00 87.03 H new ATOM 0 HD3 ARG A 101 -30.344 13.874 4.284 1.00 87.03 H new ATOM 0 HE ARG A 101 -30.885 12.019 2.744 1.00 98.24 H new ATOM 0 HH11 ARG A 101 -33.181 14.216 3.723 1.00 91.48 H new ATOM 0 HH12 ARG A 101 -34.058 14.061 2.530 1.00 91.48 H new ATOM 0 HH21 ARG A 101 -32.251 11.816 0.956 1.00 90.72 H new ATOM 0 HH22 ARG A 101 -33.501 12.622 0.870 1.00 90.72 H new ATOM 848 N LEU A 102 -31.486 8.152 7.403 1.00 66.01 N ATOM 849 CA LEU A 102 -32.438 7.181 8.003 1.00 68.36 C ATOM 850 C LEU A 102 -33.838 7.389 7.399 1.00 56.52 C ATOM 851 O LEU A 102 -34.560 6.405 7.217 1.00 59.93 O ATOM 852 CB LEU A 102 -32.408 7.407 9.528 1.00 82.39 C ATOM 853 CG LEU A 102 -33.128 6.414 10.452 1.00 87.45 C ATOM 854 CD1 LEU A 102 -34.603 6.766 10.617 1.00 93.46 C ATOM 855 CD2 LEU A 102 -32.956 4.968 10.004 1.00 84.62 C ATOM 0 H LEU A 102 -31.119 8.646 8.004 1.00 66.01 H new ATOM 0 HA LEU A 102 -32.192 6.262 7.813 1.00 68.36 H new ATOM 0 HB2 LEU A 102 -31.477 7.435 9.800 1.00 82.39 H new ATOM 0 HB3 LEU A 102 -32.780 8.286 9.699 1.00 82.39 H new ATOM 0 HG LEU A 102 -32.703 6.493 11.320 1.00 87.45 H new ATOM 0 HD11 LEU A 102 -35.026 6.121 11.205 1.00 93.46 H new ATOM 0 HD12 LEU A 102 -34.683 7.653 11.001 1.00 93.46 H new ATOM 0 HD13 LEU A 102 -35.039 6.748 9.751 1.00 93.46 H new ATOM 0 HD21 LEU A 102 -33.427 4.381 10.616 1.00 84.62 H new ATOM 0 HD22 LEU A 102 -33.319 4.860 9.111 1.00 84.62 H new ATOM 0 HD23 LEU A 102 -32.013 4.740 9.999 1.00 84.62 H new ATOM 856 N SER A 103 -34.224 8.625 7.119 1.00 49.24 N ATOM 857 CA SER A 103 -35.463 8.976 6.375 1.00 57.78 C ATOM 858 C SER A 103 -35.594 8.171 5.054 1.00 56.10 C ATOM 859 O SER A 103 -36.737 7.875 4.633 1.00 63.31 O ATOM 860 CB SER A 103 -35.476 10.450 6.106 1.00 55.60 C ATOM 861 OG SER A 103 -34.404 10.803 5.231 1.00 62.55 O ATOM 0 H SER A 103 -33.769 9.315 7.357 1.00 49.24 H new ATOM 0 HA SER A 103 -36.228 8.739 6.923 1.00 57.78 H new ATOM 0 HB2 SER A 103 -36.323 10.705 5.709 1.00 55.60 H new ATOM 0 HB3 SER A 103 -35.395 10.938 6.940 1.00 55.60 H new ATOM 0 HG SER A 103 -34.626 11.469 4.770 1.00 62.55 H new ATOM 862 N SER A 104 -34.485 7.830 4.396 1.00 53.75 N ATOM 863 CA SER A 104 -34.491 7.038 3.135 1.00 62.07 C ATOM 864 C SER A 104 -34.954 5.596 3.406 1.00 66.99 C ATOM 865 O SER A 104 -35.211 4.881 2.419 1.00 56.68 O ATOM 866 CB SER A 104 -33.144 7.067 2.453 1.00 51.92 C ATOM 867 OG SER A 104 -32.813 8.407 2.158 1.00 57.95 O ATOM 0 H SER A 104 -33.697 8.048 4.661 1.00 53.75 H new ATOM 0 HA SER A 104 -35.125 7.449 2.527 1.00 62.07 H new ATOM 0 HB2 SER A 104 -32.468 6.673 3.027 1.00 51.92 H new ATOM 0 HB3 SER A 104 -33.168 6.540 1.639 1.00 51.92 H new ATOM 0 HG SER A 104 -33.024 8.579 1.363 1.00 57.95 H new ATOM 868 N ALA A 105 -35.056 5.187 4.682 1.00 59.36 N ATOM 869 CA ALA A 105 -35.437 3.818 5.085 1.00 55.57 C ATOM 870 C ALA A 105 -36.865 3.581 4.624 1.00 55.88 C ATOM 871 O ALA A 105 -37.104 2.506 4.092 1.00 58.66 O ATOM 872 CB ALA A 105 -35.294 3.605 6.570 1.00 59.20 C ATOM 0 H ALA A 105 -34.903 5.707 5.350 1.00 59.36 H new ATOM 0 HA ALA A 105 -34.839 3.177 4.669 1.00 55.57 H new ATOM 0 HB1 ALA A 105 -35.553 2.697 6.793 1.00 59.20 H new ATOM 0 HB2 ALA A 105 -34.371 3.751 6.831 1.00 59.20 H new ATOM 0 HB3 ALA A 105 -35.866 4.229 7.043 1.00 59.20 H new ATOM 873 N SER A 106 -37.756 4.562 4.776 1.00 50.94 N ATOM 874 CA SER A 106 -39.170 4.416 4.349 1.00 58.39 C ATOM 875 C SER A 106 -39.241 4.329 2.816 1.00 52.97 C ATOM 876 O SER A 106 -40.151 3.671 2.319 1.00 56.73 O ATOM 877 CB SER A 106 -40.070 5.500 4.894 1.00 57.08 C ATOM 878 OG SER A 106 -39.377 6.727 4.952 1.00 80.97 O ATOM 0 H SER A 106 -37.570 5.326 5.124 1.00 50.94 H new ATOM 0 HA SER A 106 -39.508 3.590 4.729 1.00 58.39 H new ATOM 0 HB2 SER A 106 -40.855 5.591 4.331 1.00 57.08 H new ATOM 0 HB3 SER A 106 -40.382 5.255 5.779 1.00 57.08 H new ATOM 0 HG SER A 106 -39.886 7.323 5.255 1.00 80.97 H new ATOM 879 N THR A 107 -38.323 4.975 2.099 1.00 54.03 N ATOM 880 CA THR A 107 -38.331 5.007 0.621 1.00 49.47 C ATOM 881 C THR A 107 -37.905 3.628 0.131 1.00 40.40 C ATOM 882 O THR A 107 -38.554 3.121 -0.768 1.00 41.74 O ATOM 883 CB THR A 107 -37.421 6.095 0.039 1.00 51.01 C ATOM 884 OG1 THR A 107 -37.408 7.212 0.910 1.00 64.12 O ATOM 885 CG2 THR A 107 -37.891 6.569 -1.314 1.00 63.00 C ATOM 0 H THR A 107 -37.671 5.412 2.451 1.00 54.03 H new ATOM 0 HA THR A 107 -39.225 5.228 0.317 1.00 49.47 H new ATOM 0 HB THR A 107 -36.537 5.707 -0.057 1.00 51.01 H new ATOM 0 HG1 THR A 107 -36.805 7.746 0.672 1.00 64.12 H new ATOM 0 HG21 THR A 107 -37.289 7.254 -1.644 1.00 63.00 H new ATOM 0 HG22 THR A 107 -37.901 5.822 -1.933 1.00 63.00 H new ATOM 0 HG23 THR A 107 -38.786 6.936 -1.236 1.00 63.00 H new ATOM 886 N VAL A 108 -36.862 3.071 0.734 1.00 37.64 N ATOM 887 CA VAL A 108 -36.334 1.722 0.394 1.00 45.52 C ATOM 888 C VAL A 108 -37.440 0.694 0.683 1.00 46.61 C ATOM 889 O VAL A 108 -37.721 -0.141 -0.192 1.00 42.25 O ATOM 890 CB VAL A 108 -35.024 1.434 1.153 1.00 43.12 C ATOM 891 CG1 VAL A 108 -34.567 -0.002 0.971 1.00 48.75 C ATOM 892 CG2 VAL A 108 -33.900 2.388 0.747 1.00 50.01 C ATOM 0 H VAL A 108 -36.424 3.460 1.364 1.00 37.64 H new ATOM 0 HA VAL A 108 -36.102 1.669 -0.546 1.00 45.52 H new ATOM 0 HB VAL A 108 -35.223 1.579 2.091 1.00 43.12 H new ATOM 0 HG11 VAL A 108 -33.742 -0.144 1.462 1.00 48.75 H new ATOM 0 HG12 VAL A 108 -35.250 -0.604 1.306 1.00 48.75 H new ATOM 0 HG13 VAL A 108 -34.416 -0.177 0.029 1.00 48.75 H new ATOM 0 HG21 VAL A 108 -33.097 2.173 1.246 1.00 50.01 H new ATOM 0 HG22 VAL A 108 -33.724 2.296 -0.203 1.00 50.01 H new ATOM 0 HG23 VAL A 108 -34.165 3.301 0.939 1.00 50.01 H new ATOM 893 N GLY A 109 -38.108 0.833 1.825 1.00 43.28 N ATOM 894 CA GLY A 109 -39.244 -0.002 2.240 1.00 41.74 C ATOM 895 C GLY A 109 -40.308 -0.034 1.179 1.00 41.26 C ATOM 896 O GLY A 109 -40.669 -1.121 0.729 1.00 41.19 O ATOM 0 H GLY A 109 -37.908 1.437 2.404 1.00 43.28 H new ATOM 0 HA2 GLY A 109 -38.937 -0.904 2.422 1.00 41.74 H new ATOM 0 HA3 GLY A 109 -39.617 0.342 3.066 1.00 41.74 H new ATOM 897 N AGLU A 110 -40.794 1.140 0.786 0.50 39.79 N ATOM 898 N BGLU A 110 -40.784 1.135 0.761 0.50 42.57 N ATOM 899 CA AGLU A 110 -41.825 1.315 -0.271 0.50 41.20 C ATOM 900 CA BGLU A 110 -41.866 1.247 -0.249 0.50 46.05 C ATOM 901 C AGLU A 110 -41.342 0.581 -1.533 0.50 41.16 C ATOM 902 C BGLU A 110 -41.368 0.658 -1.582 0.50 44.25 C ATOM 903 O AGLU A 110 -42.141 -0.139 -2.166 0.50 42.74 O ATOM 904 O BGLU A 110 -42.214 0.151 -2.353 0.50 46.33 O ATOM 905 CB AGLU A 110 -42.062 2.819 -0.483 0.50 42.08 C ATOM 906 CB BGLU A 110 -42.343 2.701 -0.381 0.50 50.98 C ATOM 907 CG AGLU A 110 -43.400 3.186 -1.118 0.50 44.65 C ATOM 908 CG BGLU A 110 -43.016 3.280 0.867 0.50 57.84 C ATOM 909 CD AGLU A 110 -43.601 4.671 -1.409 0.50 49.47 C ATOM 910 CD BGLU A 110 -44.026 2.387 1.594 0.50 68.59 C ATOM 911 OE1AGLU A 110 -43.115 5.506 -0.577 0.50 46.07 O ATOM 912 OE1BGLU A 110 -43.987 2.346 2.860 0.50 66.83 O ATOM 913 OE2AGLU A 110 -44.244 5.002 -2.467 0.50 43.18 O ATOM 914 OE2BGLU A 110 -44.859 1.730 0.907 0.50 67.35 O ATOM 0 H AGLU A 110 -40.534 1.885 1.129 0.50 42.57 H new ATOM 0 H BGLU A 110 -40.496 1.893 1.048 0.50 42.57 H new ATOM 0 HA AGLU A 110 -42.680 0.931 -0.023 0.50 46.05 H new ATOM 0 HA BGLU A 110 -42.641 0.737 0.034 0.50 46.05 H new ATOM 0 HB2AGLU A 110 -41.995 3.266 0.375 0.50 50.98 H new ATOM 0 HB2BGLU A 110 -41.581 3.257 -0.608 0.50 50.98 H new ATOM 0 HB3AGLU A 110 -41.350 3.168 -1.041 0.50 50.98 H new ATOM 0 HB3BGLU A 110 -42.966 2.756 -1.122 0.50 50.98 H new ATOM 0 HG2AGLU A 110 -43.492 2.694 -1.949 0.50 57.84 H new ATOM 0 HG2BGLU A 110 -42.321 3.524 1.498 0.50 57.84 H new ATOM 0 HG3AGLU A 110 -44.112 2.888 -0.531 0.50 57.84 H new ATOM 0 HG3BGLU A 110 -43.468 4.100 0.612 0.50 57.84 H new ATOM 915 N SER A 111 -40.056 0.718 -1.849 1.00 39.28 N ATOM 916 CA SER A 111 -39.458 0.270 -3.132 1.00 41.60 C ATOM 917 C SER A 111 -39.376 -1.257 -3.114 1.00 35.32 C ATOM 918 O SER A 111 -39.657 -1.889 -4.154 1.00 31.35 O ATOM 919 CB SER A 111 -38.107 0.915 -3.377 1.00 41.54 C ATOM 920 OG SER A 111 -38.211 2.318 -3.528 1.00 40.53 O ATOM 0 H ASER A 111 -39.485 1.081 -1.318 0.50 39.28 H new ATOM 0 H BSER A 111 -39.478 1.022 -1.289 0.50 39.28 H new ATOM 0 HA SER A 111 -40.019 0.551 -3.872 1.00 41.60 H new ATOM 0 HB2 SER A 111 -37.514 0.713 -2.637 1.00 41.54 H new ATOM 0 HB3 SER A 111 -37.707 0.533 -4.174 1.00 41.54 H new ATOM 0 HG SER A 111 -38.318 2.674 -2.775 1.00 40.53 H new ATOM 921 N LEU A 112 -39.027 -1.794 -1.954 1.00 35.79 N ATOM 922 CA LEU A 112 -39.004 -3.241 -1.654 1.00 37.46 C ATOM 923 C LEU A 112 -40.413 -3.819 -1.838 1.00 38.77 C ATOM 924 O LEU A 112 -40.561 -4.844 -2.542 1.00 37.98 O ATOM 925 CB LEU A 112 -38.478 -3.448 -0.233 1.00 36.84 C ATOM 926 CG LEU A 112 -38.482 -4.902 0.247 1.00 40.55 C ATOM 927 CD1 LEU A 112 -37.608 -5.784 -0.653 1.00 42.62 C ATOM 928 CD2 LEU A 112 -38.029 -5.014 1.696 1.00 42.23 C ATOM 0 H LEU A 112 -38.785 -1.313 -1.283 1.00 35.79 H new ATOM 0 HA LEU A 112 -38.412 -3.710 -2.263 1.00 37.46 H new ATOM 0 HB2 LEU A 112 -37.571 -3.107 -0.184 1.00 36.84 H new ATOM 0 HB3 LEU A 112 -39.014 -2.918 0.377 1.00 36.84 H new ATOM 0 HG LEU A 112 -39.397 -5.219 0.193 1.00 40.55 H new ATOM 0 HD11 LEU A 112 -37.628 -6.698 -0.328 1.00 42.62 H new ATOM 0 HD12 LEU A 112 -37.948 -5.757 -1.561 1.00 42.62 H new ATOM 0 HD13 LEU A 112 -36.695 -5.456 -0.640 1.00 42.62 H new ATOM 0 HD21 LEU A 112 -38.043 -5.945 1.969 1.00 42.23 H new ATOM 0 HD22 LEU A 112 -37.128 -4.666 1.781 1.00 42.23 H new ATOM 0 HD23 LEU A 112 -38.628 -4.503 2.263 1.00 42.23 H new ATOM 929 N LEU A 113 -41.425 -3.194 -1.250 1.00 40.02 N ATOM 930 CA LEU A 113 -42.828 -3.673 -1.366 1.00 40.46 C ATOM 931 C LEU A 113 -43.272 -3.582 -2.834 1.00 43.55 C ATOM 932 O LEU A 113 -43.996 -4.459 -3.293 1.00 42.00 O ATOM 933 CB LEU A 113 -43.750 -2.872 -0.442 1.00 41.62 C ATOM 934 CG LEU A 113 -43.508 -2.987 1.073 1.00 45.66 C ATOM 935 CD1 LEU A 113 -44.590 -2.241 1.839 1.00 45.19 C ATOM 936 CD2 LEU A 113 -43.415 -4.431 1.566 1.00 48.11 C ATOM 0 H LEU A 113 -41.334 -2.484 -0.773 1.00 40.02 H new ATOM 0 HA LEU A 113 -42.882 -4.600 -1.085 1.00 40.46 H new ATOM 0 HB2 LEU A 113 -43.680 -1.936 -0.687 1.00 41.62 H new ATOM 0 HB3 LEU A 113 -44.664 -3.144 -0.621 1.00 41.62 H new ATOM 0 HG LEU A 113 -42.644 -2.581 1.243 1.00 45.66 H new ATOM 0 HD11 LEU A 113 -44.426 -2.321 2.792 1.00 45.19 H new ATOM 0 HD12 LEU A 113 -44.578 -1.304 1.587 1.00 45.19 H new ATOM 0 HD13 LEU A 113 -45.457 -2.621 1.627 1.00 45.19 H new ATOM 0 HD21 LEU A 113 -43.263 -4.437 2.524 1.00 48.11 H new ATOM 0 HD22 LEU A 113 -44.244 -4.895 1.368 1.00 48.11 H new ATOM 0 HD23 LEU A 113 -42.680 -4.879 1.119 1.00 48.11 H new ATOM 937 N TYR A 114 -42.831 -2.569 -3.568 1.00 38.90 N ATOM 938 CA TYR A 114 -43.194 -2.418 -4.982 1.00 40.33 C ATOM 939 C TYR A 114 -42.542 -3.542 -5.800 1.00 37.71 C ATOM 940 O TYR A 114 -43.242 -4.175 -6.569 1.00 38.08 O ATOM 941 CB TYR A 114 -42.785 -1.033 -5.461 1.00 41.45 C ATOM 942 CG TYR A 114 -43.007 -0.859 -6.931 1.00 38.43 C ATOM 943 CD1 TYR A 114 -44.235 -0.515 -7.443 1.00 40.55 C ATOM 944 CD2 TYR A 114 -41.960 -1.012 -7.806 1.00 35.92 C ATOM 945 CE1 TYR A 114 -44.408 -0.333 -8.811 1.00 45.23 C ATOM 946 CE2 TYR A 114 -42.119 -0.840 -9.162 1.00 34.77 C ATOM 947 CZ TYR A 114 -43.344 -0.492 -9.679 1.00 40.06 C ATOM 948 OH TYR A 114 -43.438 -0.357 -11.046 1.00 43.03 O ATOM 0 H TYR A 114 -42.315 -1.950 -3.268 1.00 38.90 H new ATOM 0 HA TYR A 114 -44.154 -2.495 -5.100 1.00 40.33 H new ATOM 0 HB2 TYR A 114 -43.291 -0.362 -4.977 1.00 41.45 H new ATOM 0 HB3 TYR A 114 -41.849 -0.885 -5.256 1.00 41.45 H new ATOM 0 HD1 TYR A 114 -44.958 -0.403 -6.869 1.00 40.55 H new ATOM 0 HD2 TYR A 114 -41.121 -1.238 -7.473 1.00 35.92 H new ATOM 0 HE1 TYR A 114 -45.245 -0.103 -9.144 1.00 45.23 H new ATOM 0 HE2 TYR A 114 -41.394 -0.960 -9.732 1.00 34.77 H new ATOM 0 HH TYR A 114 -42.698 -0.106 -11.355 1.00 43.03 H new ATOM 949 N MET A 115 -41.265 -3.828 -5.561 1.00 36.43 N ATOM 950 CA AMET A 115 -40.547 -4.937 -6.237 0.50 40.25 C ATOM 951 CA BMET A 115 -40.520 -4.950 -6.212 0.50 36.24 C ATOM 952 C MET A 115 -41.259 -6.276 -5.935 1.00 41.11 C ATOM 953 O MET A 115 -41.509 -7.040 -6.894 1.00 37.49 O ATOM 954 CB AMET A 115 -39.090 -4.960 -5.778 0.50 41.76 C ATOM 955 CB BMET A 115 -39.078 -5.042 -5.699 0.50 32.89 C ATOM 956 CG AMET A 115 -38.266 -5.996 -6.467 0.50 48.06 C ATOM 957 CG BMET A 115 -38.275 -6.214 -6.263 0.50 33.39 C ATOM 958 SD AMET A 115 -38.511 -7.591 -5.702 0.50 53.10 S ATOM 959 SD BMET A 115 -36.675 -6.484 -5.429 0.50 28.16 S ATOM 960 CE AMET A 115 -37.585 -7.346 -4.188 0.50 49.37 C ATOM 961 CE BMET A 115 -37.281 -7.256 -3.930 0.50 28.98 C ATOM 0 H AMET A 115 -40.780 -3.390 -5.003 0.50 36.43 H new ATOM 0 H BMET A 115 -40.784 -3.377 -5.009 0.50 36.43 H new ATOM 0 HA AMET A 115 -40.557 -4.802 -7.198 0.50 36.24 H new ATOM 0 HA BMET A 115 -40.483 -4.780 -7.166 0.50 36.24 H new ATOM 0 HB2AMET A 115 -38.696 -4.087 -5.933 0.50 32.89 H new ATOM 0 HB2BMET A 115 -38.617 -4.216 -5.915 0.50 32.89 H new ATOM 0 HB3AMET A 115 -39.062 -5.118 -4.821 0.50 32.89 H new ATOM 0 HB3BMET A 115 -39.095 -5.113 -4.732 0.50 32.89 H new ATOM 0 HG2AMET A 115 -38.508 -6.040 -7.405 0.50 33.39 H new ATOM 0 HG2BMET A 115 -38.807 -7.022 -6.193 0.50 33.39 H new ATOM 0 HG3AMET A 115 -37.328 -5.752 -6.427 0.50 33.39 H new ATOM 0 HG3BMET A 115 -38.116 -6.061 -7.207 0.50 33.39 H new ATOM 0 HE1AMET A 115 -36.888 -8.017 -4.122 0.50 28.98 H new ATOM 0 HE1BMET A 115 -36.657 -7.091 -3.206 0.50 28.98 H new ATOM 0 HE2AMET A 115 -37.183 -6.463 -4.193 0.50 28.98 H new ATOM 0 HE2BMET A 115 -38.147 -6.883 -3.701 0.50 28.98 H new ATOM 0 HE3AMET A 115 -38.182 -7.425 -3.427 0.50 28.98 H new ATOM 0 HE3BMET A 115 -37.368 -8.212 -4.070 0.50 28.98 H new ATOM 962 N LEU A 116 -41.622 -6.548 -4.676 1.00 38.73 N ATOM 963 CA LEU A 116 -42.306 -7.819 -4.310 1.00 40.70 C ATOM 964 C LEU A 116 -43.650 -7.905 -5.038 1.00 44.06 C ATOM 965 O LEU A 116 -43.938 -8.959 -5.589 1.00 41.95 O ATOM 966 CB LEU A 116 -42.469 -7.946 -2.788 1.00 39.63 C ATOM 967 CG LEU A 116 -41.144 -8.163 -2.044 1.00 40.15 C ATOM 968 CD1 LEU A 116 -41.266 -7.879 -0.564 1.00 43.10 C ATOM 969 CD2 LEU A 116 -40.621 -9.568 -2.259 1.00 48.44 C ATOM 0 H LEU A 116 -41.486 -6.017 -4.014 1.00 38.73 H new ATOM 0 HA LEU A 116 -41.757 -8.567 -4.592 1.00 40.70 H new ATOM 0 HB2 LEU A 116 -42.895 -7.143 -2.448 1.00 39.63 H new ATOM 0 HB3 LEU A 116 -43.065 -8.687 -2.595 1.00 39.63 H new ATOM 0 HG LEU A 116 -40.511 -7.530 -2.417 1.00 40.15 H new ATOM 0 HD11 LEU A 116 -40.409 -8.028 -0.134 1.00 43.10 H new ATOM 0 HD12 LEU A 116 -41.537 -6.957 -0.433 1.00 43.10 H new ATOM 0 HD13 LEU A 116 -41.930 -8.470 -0.175 1.00 43.10 H new ATOM 0 HD21 LEU A 116 -39.785 -9.679 -1.780 1.00 48.44 H new ATOM 0 HD22 LEU A 116 -41.270 -10.209 -1.929 1.00 48.44 H new ATOM 0 HD23 LEU A 116 -40.473 -9.717 -3.206 1.00 48.44 H new ATOM 970 N GLU A 117 -44.407 -6.811 -5.077 1.00 43.17 N ATOM 971 CA AGLU A 117 -45.757 -6.783 -5.681 0.50 42.60 C ATOM 972 CA BGLU A 117 -45.756 -6.714 -5.705 0.50 43.62 C ATOM 973 C GLU A 117 -45.640 -7.077 -7.192 1.00 42.39 C ATOM 974 O GLU A 117 -46.482 -7.807 -7.722 1.00 44.94 O ATOM 975 CB AGLU A 117 -46.398 -5.442 -5.305 0.50 48.33 C ATOM 976 CB BGLU A 117 -46.335 -5.304 -5.478 0.50 50.90 C ATOM 977 CG AGLU A 117 -47.906 -5.364 -5.482 0.50 51.83 C ATOM 978 CG BGLU A 117 -47.275 -4.754 -6.570 0.50 54.46 C ATOM 979 CD AGLU A 117 -48.555 -4.128 -4.859 0.50 63.53 C ATOM 980 CD BGLU A 117 -47.526 -3.234 -6.545 0.50 60.79 C ATOM 981 OE1AGLU A 117 -47.841 -3.295 -4.197 0.50 55.45 O ATOM 982 OE1BGLU A 117 -47.156 -2.562 -5.537 0.50 60.42 O ATOM 983 OE2AGLU A 117 -49.787 -3.990 -5.020 0.50 77.48 O ATOM 984 OE2BGLU A 117 -48.101 -2.697 -7.530 0.50 62.26 O ATOM 0 H AGLU A 117 -44.157 -6.054 -4.754 0.50 43.17 H new ATOM 0 H BGLU A 117 -44.151 -6.068 -4.728 0.50 43.17 H new ATOM 0 HA AGLU A 117 -46.349 -7.473 -5.344 0.50 43.62 H new ATOM 0 HA BGLU A 117 -46.373 -7.341 -5.296 0.50 43.62 H new ATOM 0 HB2AGLU A 117 -46.187 -5.249 -4.378 0.50 50.90 H new ATOM 0 HB2BGLU A 117 -46.818 -5.307 -4.637 0.50 50.90 H new ATOM 0 HB3AGLU A 117 -45.989 -4.744 -5.841 0.50 50.90 H new ATOM 0 HB3BGLU A 117 -45.594 -4.686 -5.377 0.50 50.90 H new ATOM 0 HG2AGLU A 117 -48.110 -5.379 -6.430 0.50 54.46 H new ATOM 0 HG2BGLU A 117 -46.907 -4.989 -7.436 0.50 54.46 H new ATOM 0 HG3AGLU A 117 -48.307 -6.157 -5.093 0.50 54.46 H new ATOM 0 HG3BGLU A 117 -48.130 -5.206 -6.493 0.50 54.46 H new ATOM 985 N LYS A 118 -44.635 -6.571 -7.871 1.00 43.42 N ATOM 986 CA ALYS A 118 -44.457 -6.840 -9.323 0.50 46.53 C ATOM 987 CA BLYS A 118 -44.446 -6.840 -9.321 0.50 47.44 C ATOM 988 C LYS A 118 -43.967 -8.277 -9.526 1.00 45.06 C ATOM 989 O LYS A 118 -44.261 -8.828 -10.571 1.00 49.64 O ATOM 990 CB ALYS A 118 -43.474 -5.848 -9.957 0.50 45.72 C ATOM 991 CB BLYS A 118 -43.449 -5.852 -9.931 0.50 47.86 C ATOM 992 CG ALYS A 118 -43.812 -4.386 -9.721 0.50 48.20 C ATOM 993 CG BLYS A 118 -43.983 -4.435 -9.997 0.50 51.27 C ATOM 994 CD ALYS A 118 -45.157 -4.006 -10.245 0.50 51.00 C ATOM 995 CD BLYS A 118 -45.356 -4.398 -10.591 0.50 56.10 C ATOM 996 CE ALYS A 118 -45.295 -4.310 -11.720 0.50 55.73 C ATOM 997 CE BLYS A 118 -45.986 -3.024 -10.568 0.50 61.97 C ATOM 998 NZ ALYS A 118 -46.614 -3.877 -12.231 0.50 58.02 N ATOM 999 NZ BLYS A 118 -46.960 -2.843 -9.461 0.50 63.95 N ATOM 0 H ALYS A 118 -44.031 -6.064 -7.527 0.50 43.42 H new ATOM 0 H BLYS A 118 -44.034 -6.062 -7.526 0.50 43.42 H new ATOM 0 HA ALYS A 118 -45.315 -6.727 -9.762 0.50 47.44 H new ATOM 0 HA BLYS A 118 -45.298 -6.724 -9.771 0.50 47.44 H new ATOM 0 HB2ALYS A 118 -42.586 -6.023 -9.608 0.50 47.86 H new ATOM 0 HB2BLYS A 118 -42.632 -5.860 -9.408 0.50 47.86 H new ATOM 0 HB3ALYS A 118 -43.440 -6.010 -10.913 0.50 47.86 H new ATOM 0 HB3BLYS A 118 -43.216 -6.146 -10.825 0.50 47.86 H new ATOM 0 HG2ALYS A 118 -43.777 -4.201 -8.769 0.50 51.27 H new ATOM 0 HG2BLYS A 118 -44.004 -4.053 -9.106 0.50 51.27 H new ATOM 0 HG3ALYS A 118 -43.137 -3.831 -10.143 0.50 51.27 H new ATOM 0 HG3BLYS A 118 -43.384 -3.886 -10.527 0.50 51.27 H new ATOM 0 HD2ALYS A 118 -45.842 -4.483 -9.751 0.50 56.10 H new ATOM 0 HD2BLYS A 118 -45.312 -4.711 -11.508 0.50 56.10 H new ATOM 0 HD3ALYS A 118 -45.306 -3.059 -10.095 0.50 56.10 H new ATOM 0 HD3BLYS A 118 -45.927 -5.016 -10.108 0.50 56.10 H new ATOM 0 HE2ALYS A 118 -44.590 -3.861 -12.213 0.50 61.97 H new ATOM 0 HE2BLYS A 118 -45.287 -2.356 -10.488 0.50 61.97 H new ATOM 0 HE3ALYS A 118 -45.184 -5.262 -11.869 0.50 61.97 H new ATOM 0 HE3BLYS A 118 -46.434 -2.866 -11.414 0.50 61.97 H new ATOM 0 HZ1ALYS A 118 -46.522 -3.556 -13.056 0.50 63.95 H new ATOM 0 HZ1BLYS A 118 -47.627 -2.320 -9.734 0.50 63.95 H new ATOM 0 HZ2ALYS A 118 -47.170 -4.571 -12.243 0.50 63.95 H new ATOM 0 HZ2BLYS A 118 -47.285 -3.635 -9.219 0.50 63.95 H new ATOM 0 HZ3ALYS A 118 -46.944 -3.242 -11.702 0.50 63.95 H new ATOM 0 HZ3BLYS A 118 -46.553 -2.465 -8.766 0.50 63.95 H new ATOM 1000 N SER A 119 -43.220 -8.826 -8.572 1.00 46.64 N ATOM 1001 CA SER A 119 -42.689 -10.211 -8.667 1.00 48.24 C ATOM 1002 C SER A 119 -43.825 -11.216 -8.422 1.00 49.11 C ATOM 1003 O SER A 119 -43.740 -12.302 -8.971 1.00 50.19 O ATOM 1004 CB SER A 119 -41.573 -10.457 -7.714 1.00 43.63 C ATOM 1005 OG SER A 119 -40.394 -9.863 -8.197 1.00 69.54 O ATOM 0 H SER A 119 -43.000 -8.417 -7.848 1.00 46.64 H new ATOM 0 HA SER A 119 -42.330 -10.327 -9.561 1.00 48.24 H new ATOM 0 HB2 SER A 119 -41.795 -10.093 -6.843 1.00 43.63 H new ATOM 0 HB3 SER A 119 -41.440 -11.411 -7.598 1.00 43.63 H new ATOM 0 HG SER A 119 -40.329 -9.082 -7.894 1.00 69.54 H new ATOM 1006 N LEU A 120 -44.808 -10.898 -7.577 1.00 45.09 N ATOM 1007 CA LEU A 120 -45.678 -11.950 -7.006 1.00 47.91 C ATOM 1008 C LEU A 120 -47.128 -11.799 -7.473 1.00 46.39 C ATOM 1009 O LEU A 120 -47.864 -12.801 -7.396 1.00 45.15 O ATOM 1010 CB LEU A 120 -45.539 -11.954 -5.478 1.00 45.49 C ATOM 1011 CG LEU A 120 -44.116 -12.200 -4.966 1.00 50.68 C ATOM 1012 CD1 LEU A 120 -43.991 -11.751 -3.527 1.00 53.95 C ATOM 1013 CD2 LEU A 120 -43.696 -13.643 -5.100 1.00 49.37 C ATOM 0 H LEU A 120 -44.991 -10.098 -7.321 1.00 45.09 H new ATOM 0 HA LEU A 120 -45.390 -12.816 -7.333 1.00 47.91 H new ATOM 0 HB2 LEU A 120 -45.850 -11.102 -5.135 1.00 45.49 H new ATOM 0 HB3 LEU A 120 -46.123 -12.637 -5.114 1.00 45.49 H new ATOM 0 HG LEU A 120 -43.519 -11.675 -5.522 1.00 50.68 H new ATOM 0 HD11 LEU A 120 -43.087 -11.912 -3.215 1.00 53.95 H new ATOM 0 HD12 LEU A 120 -44.190 -10.804 -3.465 1.00 53.95 H new ATOM 0 HD13 LEU A 120 -44.616 -12.249 -2.977 1.00 53.95 H new ATOM 0 HD21 LEU A 120 -42.792 -13.750 -4.764 1.00 49.37 H new ATOM 0 HD22 LEU A 120 -44.299 -14.205 -4.588 1.00 49.37 H new ATOM 0 HD23 LEU A 120 -43.727 -13.904 -6.034 1.00 49.37 H new ATOM 1014 N GLY A 121 -47.547 -10.612 -7.894 1.00 48.71 N ATOM 1015 CA GLY A 121 -48.954 -10.340 -8.250 1.00 49.31 C ATOM 1016 C GLY A 121 -49.907 -10.781 -7.143 1.00 48.68 C ATOM 1017 O GLY A 121 -49.758 -10.355 -6.013 1.00 47.78 O ATOM 0 H GLY A 121 -47.028 -9.932 -7.985 1.00 48.71 H new ATOM 0 HA2 GLY A 121 -49.069 -9.392 -8.418 1.00 49.31 H new ATOM 0 HA3 GLY A 121 -49.176 -10.803 -9.073 1.00 49.31 H new ATOM 1018 N PRO A 122 -50.916 -11.646 -7.412 1.00 53.94 N ATOM 1019 CA PRO A 122 -51.874 -12.060 -6.380 1.00 53.70 C ATOM 1020 C PRO A 122 -51.235 -12.851 -5.218 1.00 53.22 C ATOM 1021 O PRO A 122 -51.801 -12.930 -4.149 1.00 51.86 O ATOM 1022 CB PRO A 122 -52.874 -12.933 -7.156 1.00 54.80 C ATOM 1023 CG PRO A 122 -52.053 -13.456 -8.309 1.00 59.58 C ATOM 1024 CD PRO A 122 -51.173 -12.285 -8.705 1.00 54.91 C ATOM 0 HA PRO A 122 -52.274 -11.293 -5.942 1.00 53.70 H new ATOM 0 HB2 PRO A 122 -53.221 -13.654 -6.608 1.00 54.80 H new ATOM 0 HB3 PRO A 122 -53.636 -12.418 -7.463 1.00 54.80 H new ATOM 0 HG2 PRO A 122 -51.522 -14.224 -8.046 1.00 59.58 H new ATOM 0 HG3 PRO A 122 -52.617 -13.740 -9.045 1.00 59.58 H new ATOM 0 HD2 PRO A 122 -50.354 -12.576 -9.135 1.00 54.91 H new ATOM 0 HD3 PRO A 122 -51.621 -11.687 -9.323 1.00 54.91 H new ATOM 1025 N ASP A 123 -50.043 -13.396 -5.423 1.00 48.95 N ATOM 1026 CA ASP A 123 -49.323 -14.116 -4.354 1.00 47.67 C ATOM 1027 C ASP A 123 -48.739 -13.131 -3.351 1.00 48.60 C ATOM 1028 O ASP A 123 -48.323 -13.608 -2.298 1.00 49.47 O ATOM 1029 CB ASP A 123 -48.314 -15.083 -4.957 1.00 48.24 C ATOM 1030 CG ASP A 123 -49.074 -16.119 -5.774 1.00 52.50 C ATOM 1031 OD1 ASP A 123 -50.155 -16.492 -5.328 1.00 52.67 O ATOM 1032 OD2 ASP A 123 -48.635 -16.452 -6.883 1.00 52.48 O ATOM 0 H ASP A 123 -49.624 -13.365 -6.174 1.00 48.95 H new ATOM 0 HA ASP A 123 -49.939 -14.666 -3.846 1.00 47.67 H new ATOM 0 HB2 ASP A 123 -47.683 -14.606 -5.519 1.00 48.24 H new ATOM 0 HB3 ASP A 123 -47.800 -15.515 -4.257 1.00 48.24 H new ATOM 1033 N PHE A 124 -48.713 -11.825 -3.648 1.00 50.29 N ATOM 1034 CA PHE A 124 -48.390 -10.793 -2.630 1.00 46.91 C ATOM 1035 C PHE A 124 -49.636 -10.558 -1.771 1.00 45.56 C ATOM 1036 O PHE A 124 -50.407 -9.615 -1.964 1.00 51.15 O ATOM 1037 CB PHE A 124 -47.809 -9.530 -3.270 1.00 47.70 C ATOM 1038 CG PHE A 124 -46.997 -8.706 -2.303 1.00 45.60 C ATOM 1039 CD1 PHE A 124 -46.027 -9.301 -1.497 1.00 49.29 C ATOM 1040 CD2 PHE A 124 -47.205 -7.341 -2.190 1.00 45.70 C ATOM 1041 CE1 PHE A 124 -45.281 -8.547 -0.597 1.00 45.70 C ATOM 1042 CE2 PHE A 124 -46.460 -6.593 -1.288 1.00 45.97 C ATOM 1043 CZ PHE A 124 -45.503 -7.193 -0.504 1.00 47.73 C ATOM 0 H PHE A 124 -48.878 -11.509 -4.431 1.00 50.29 H new ATOM 0 HA PHE A 124 -47.683 -11.101 -2.041 1.00 46.91 H new ATOM 0 HB2 PHE A 124 -47.251 -9.781 -4.023 1.00 47.70 H new ATOM 0 HB3 PHE A 124 -48.533 -8.988 -3.622 1.00 47.70 H new ATOM 0 HD1 PHE A 124 -45.876 -10.216 -1.562 1.00 49.29 H new ATOM 0 HD2 PHE A 124 -47.846 -6.924 -2.720 1.00 45.70 H new ATOM 0 HE1 PHE A 124 -44.638 -8.955 -0.063 1.00 45.70 H new ATOM 0 HE2 PHE A 124 -46.610 -5.678 -1.214 1.00 45.97 H new ATOM 0 HZ PHE A 124 -45.004 -6.681 0.091 1.00 47.73 H new ATOM 1044 N THR A 125 -49.851 -11.440 -0.815 1.00 45.36 N ATOM 1045 CA THR A 125 -51.101 -11.444 -0.022 1.00 47.38 C ATOM 1046 C THR A 125 -50.957 -10.409 1.081 1.00 43.46 C ATOM 1047 O THR A 125 -49.843 -10.076 1.492 1.00 49.82 O ATOM 1048 CB THR A 125 -51.388 -12.820 0.593 1.00 48.75 C ATOM 1049 OG1 THR A 125 -50.394 -13.070 1.591 1.00 45.89 O ATOM 1050 CG2 THR A 125 -51.408 -13.920 -0.444 1.00 49.62 C ATOM 0 H THR A 125 -49.291 -12.055 -0.596 1.00 45.36 H new ATOM 0 HA THR A 125 -51.845 -11.233 -0.607 1.00 47.38 H new ATOM 0 HB THR A 125 -52.273 -12.814 0.990 1.00 48.75 H new ATOM 0 HG1 THR A 125 -50.533 -13.820 1.943 1.00 45.89 H new ATOM 0 HG21 THR A 125 -51.592 -14.769 -0.012 1.00 49.62 H new ATOM 0 HG22 THR A 125 -52.099 -13.735 -1.099 1.00 49.62 H new ATOM 0 HG23 THR A 125 -50.546 -13.963 -0.887 1.00 49.62 H new ATOM 1051 N PRO A 126 -52.075 -9.892 1.621 1.00 45.90 N ATOM 1052 CA PRO A 126 -51.994 -8.998 2.777 1.00 46.26 C ATOM 1053 C PRO A 126 -50.994 -9.501 3.816 1.00 47.34 C ATOM 1054 O PRO A 126 -50.200 -8.721 4.325 1.00 46.02 O ATOM 1055 CB PRO A 126 -53.432 -9.022 3.310 1.00 43.89 C ATOM 1056 CG PRO A 126 -54.274 -9.179 2.034 1.00 46.47 C ATOM 1057 CD PRO A 126 -53.450 -10.057 1.103 1.00 42.22 C ATOM 0 HA PRO A 126 -51.679 -8.108 2.555 1.00 46.26 H new ATOM 0 HB2 PRO A 126 -53.574 -9.758 3.926 1.00 43.89 H new ATOM 0 HB3 PRO A 126 -53.652 -8.206 3.787 1.00 43.89 H new ATOM 0 HG2 PRO A 126 -55.131 -9.588 2.230 1.00 46.47 H new ATOM 0 HG3 PRO A 126 -54.457 -8.317 1.629 1.00 46.47 H new ATOM 0 HD2 PRO A 126 -53.737 -10.983 1.135 1.00 42.22 H new ATOM 0 HD3 PRO A 126 -53.523 -9.769 0.180 1.00 42.22 H new ATOM 1058 N ALA A 127 -51.040 -10.798 4.118 1.00 45.39 N ATOM 1059 CA ALA A 127 -50.198 -11.362 5.194 1.00 47.55 C ATOM 1060 C ALA A 127 -48.747 -11.363 4.711 1.00 43.64 C ATOM 1061 O ALA A 127 -47.858 -11.197 5.551 1.00 44.07 O ATOM 1062 CB ALA A 127 -50.667 -12.745 5.607 1.00 51.05 C ATOM 0 H ALA A 127 -51.545 -11.370 3.720 1.00 45.39 H new ATOM 0 HA ALA A 127 -50.270 -10.814 5.991 1.00 47.55 H new ATOM 0 HB1 ALA A 127 -50.094 -13.084 6.312 1.00 51.05 H new ATOM 0 HB2 ALA A 127 -51.580 -12.694 5.929 1.00 51.05 H new ATOM 0 HB3 ALA A 127 -50.627 -13.342 4.844 1.00 51.05 H new ATOM 1063 N THR A 128 -48.505 -11.596 3.418 1.00 41.83 N ATOM 1064 CA THR A 128 -47.123 -11.575 2.883 1.00 44.82 C ATOM 1065 C THR A 128 -46.583 -10.143 3.026 1.00 40.81 C ATOM 1066 O THR A 128 -45.465 -9.992 3.469 1.00 42.97 O ATOM 1067 CB THR A 128 -47.076 -12.120 1.448 1.00 47.08 C ATOM 1068 OG1 THR A 128 -47.551 -13.464 1.500 1.00 41.85 O ATOM 1069 CG2 THR A 128 -45.683 -12.074 0.852 1.00 45.50 C ATOM 0 H THR A 128 -49.113 -11.767 2.835 1.00 41.83 H new ATOM 0 HA THR A 128 -46.544 -12.167 3.388 1.00 44.82 H new ATOM 0 HB THR A 128 -47.628 -11.566 0.874 1.00 47.08 H new ATOM 0 HG1 THR A 128 -48.391 -13.464 1.518 1.00 41.85 H new ATOM 0 HG21 THR A 128 -45.705 -12.427 -0.051 1.00 45.50 H new ATOM 0 HG22 THR A 128 -45.370 -11.156 0.832 1.00 45.50 H new ATOM 0 HG23 THR A 128 -45.081 -12.609 1.393 1.00 45.50 H new ATOM 1070 N ARG A 129 -47.394 -9.138 2.697 1.00 41.34 N ATOM 1071 CA ARG A 129 -47.013 -7.704 2.766 1.00 44.84 C ATOM 1072 C ARG A 129 -46.716 -7.352 4.228 1.00 44.28 C ATOM 1073 O ARG A 129 -45.634 -6.789 4.500 1.00 40.52 O ATOM 1074 CB ARG A 129 -48.113 -6.846 2.137 1.00 47.37 C ATOM 1075 CG ARG A 129 -47.865 -5.343 2.202 1.00 53.99 C ATOM 1076 CD ARG A 129 -49.073 -4.538 1.778 1.00 55.67 C ATOM 1077 NE ARG A 129 -49.277 -4.621 0.330 1.00 74.33 N ATOM 1078 CZ ARG A 129 -48.738 -3.801 -0.590 1.00 80.28 C ATOM 1079 NH1 ARG A 129 -47.943 -2.796 -0.244 1.00 83.85 N ATOM 1080 NH2 ARG A 129 -49.011 -3.987 -1.870 1.00 82.49 N ATOM 0 H ARG A 129 -48.199 -9.262 2.421 1.00 41.34 H new ATOM 0 HA ARG A 129 -46.208 -7.524 2.255 1.00 44.84 H new ATOM 0 HB2 ARG A 129 -48.216 -7.104 1.208 1.00 47.37 H new ATOM 0 HB3 ARG A 129 -48.953 -7.042 2.581 1.00 47.37 H new ATOM 0 HG2 ARG A 129 -47.618 -5.098 3.107 1.00 53.99 H new ATOM 0 HG3 ARG A 129 -47.113 -5.117 1.632 1.00 53.99 H new ATOM 0 HD2 ARG A 129 -49.862 -4.865 2.238 1.00 55.67 H new ATOM 0 HD3 ARG A 129 -48.956 -3.611 2.039 1.00 55.67 H new ATOM 0 HE ARG A 129 -49.787 -5.251 0.042 1.00 74.33 H new ATOM 0 HH11 ARG A 129 -47.762 -2.657 0.585 1.00 83.85 H new ATOM 0 HH12 ARG A 129 -47.609 -2.284 -0.849 1.00 83.85 H new ATOM 0 HH21 ARG A 129 -49.530 -4.629 -2.110 1.00 82.49 H new ATOM 0 HH22 ARG A 129 -48.669 -3.466 -2.463 1.00 82.49 H new ATOM 1081 N THR A 130 -47.598 -7.728 5.154 1.00 44.88 N ATOM 1082 CA THR A 130 -47.426 -7.419 6.596 1.00 44.89 C ATOM 1083 C THR A 130 -46.139 -8.076 7.104 1.00 46.56 C ATOM 1084 O THR A 130 -45.327 -7.373 7.721 1.00 50.81 O ATOM 1085 CB THR A 130 -48.645 -7.839 7.422 1.00 49.23 C ATOM 1086 OG1 THR A 130 -49.754 -7.106 6.923 1.00 47.71 O ATOM 1087 CG2 THR A 130 -48.495 -7.532 8.892 1.00 49.26 C ATOM 0 H THR A 130 -48.314 -8.169 4.975 1.00 44.88 H new ATOM 0 HA THR A 130 -47.350 -6.458 6.702 1.00 44.89 H new ATOM 0 HB THR A 130 -48.756 -8.799 7.342 1.00 49.23 H new ATOM 0 HG1 THR A 130 -50.001 -7.435 6.191 1.00 47.71 H new ATOM 0 HG21 THR A 130 -49.292 -7.817 9.365 1.00 49.26 H new ATOM 0 HG22 THR A 130 -47.724 -8.004 9.244 1.00 49.26 H new ATOM 0 HG23 THR A 130 -48.372 -6.577 9.013 1.00 49.26 H new ATOM 1088 N ALA A 131 -45.897 -9.344 6.759 1.00 43.69 N ATOM 1089 CA ALA A 131 -44.705 -10.078 7.248 1.00 40.86 C ATOM 1090 C ALA A 131 -43.433 -9.391 6.727 1.00 41.05 C ATOM 1091 O ALA A 131 -42.487 -9.224 7.513 1.00 44.17 O ATOM 1092 CB ALA A 131 -44.796 -11.536 6.845 1.00 39.63 C ATOM 0 H ALA A 131 -46.407 -9.804 6.242 1.00 43.69 H new ATOM 0 HA ALA A 131 -44.668 -10.057 8.217 1.00 40.86 H new ATOM 0 HB1 ALA A 131 -44.014 -12.011 7.168 1.00 39.63 H new ATOM 0 HB2 ALA A 131 -45.594 -11.929 7.231 1.00 39.63 H new ATOM 0 HB3 ALA A 131 -44.838 -11.603 5.878 1.00 39.63 H new ATOM 1093 N TRP A 132 -43.381 -9.044 5.435 1.00 38.23 N ATOM 1094 CA TRP A 132 -42.210 -8.348 4.842 1.00 40.28 C ATOM 1095 C TRP A 132 -41.990 -6.976 5.515 1.00 42.90 C ATOM 1096 O TRP A 132 -40.823 -6.649 5.762 1.00 40.33 O ATOM 1097 CB TRP A 132 -42.382 -8.202 3.331 1.00 40.66 C ATOM 1098 CG TRP A 132 -41.817 -9.329 2.548 1.00 35.72 C ATOM 1099 CD1 TRP A 132 -42.504 -10.337 1.942 1.00 36.75 C ATOM 1100 CD2 TRP A 132 -40.425 -9.613 2.363 1.00 39.76 C ATOM 1101 NE1 TRP A 132 -41.637 -11.207 1.348 1.00 37.69 N ATOM 1102 CE2 TRP A 132 -40.357 -10.786 1.574 1.00 39.20 C ATOM 1103 CE3 TRP A 132 -39.238 -8.972 2.752 1.00 37.90 C ATOM 1104 CZ2 TRP A 132 -39.143 -11.345 1.185 1.00 38.45 C ATOM 1105 CZ3 TRP A 132 -38.040 -9.521 2.356 1.00 38.08 C ATOM 1106 CH2 TRP A 132 -37.996 -10.691 1.587 1.00 37.81 C ATOM 0 H TRP A 132 -44.015 -9.201 4.875 1.00 38.23 H new ATOM 0 HA TRP A 132 -41.419 -8.886 5.003 1.00 40.28 H new ATOM 0 HB2 TRP A 132 -43.327 -8.121 3.129 1.00 40.66 H new ATOM 0 HB3 TRP A 132 -41.959 -7.377 3.045 1.00 40.66 H new ATOM 0 HD1 TRP A 132 -43.430 -10.420 1.934 1.00 36.75 H new ATOM 0 HE1 TRP A 132 -41.860 -11.908 0.903 1.00 37.69 H new ATOM 0 HE3 TRP A 132 -39.261 -8.196 3.264 1.00 37.90 H new ATOM 0 HZ2 TRP A 132 -39.106 -12.123 0.677 1.00 38.45 H new ATOM 0 HZ3 TRP A 132 -37.245 -9.108 2.604 1.00 38.08 H new ATOM 0 HH2 TRP A 132 -37.169 -11.038 1.340 1.00 37.81 H new ATOM 1107 N SER A 133 -43.047 -6.206 5.814 1.00 43.17 N ATOM 1108 CA SER A 133 -42.944 -4.917 6.567 1.00 45.20 C ATOM 1109 C SER A 133 -42.370 -5.162 7.955 1.00 43.78 C ATOM 1110 O SER A 133 -41.473 -4.413 8.334 1.00 48.25 O ATOM 1111 CB SER A 133 -44.244 -4.172 6.682 1.00 47.31 C ATOM 1112 OG SER A 133 -44.839 -4.037 5.399 1.00 52.84 O ATOM 0 H SER A 133 -43.852 -6.409 5.589 1.00 43.17 H new ATOM 0 HA SER A 133 -42.349 -4.354 6.048 1.00 45.20 H new ATOM 0 HB2 SER A 133 -44.845 -4.645 7.278 1.00 47.31 H new ATOM 0 HB3 SER A 133 -44.091 -3.296 7.070 1.00 47.31 H new ATOM 0 HG SER A 133 -45.085 -4.791 5.123 1.00 52.84 H new ATOM 1113 N ARG A 134 -42.827 -6.181 8.675 1.00 47.25 N ATOM 1114 CA ARG A 134 -42.247 -6.495 10.008 1.00 49.36 C ATOM 1115 C ARG A 134 -40.786 -6.888 9.821 1.00 46.75 C ATOM 1116 O ARG A 134 -39.952 -6.383 10.589 1.00 47.82 O ATOM 1117 CB ARG A 134 -43.015 -7.583 10.767 1.00 66.49 C ATOM 1118 CG ARG A 134 -44.504 -7.312 10.955 1.00 75.25 C ATOM 1119 CD ARG A 134 -44.848 -5.881 11.350 1.00 92.80 C ATOM 1120 NE ARG A 134 -46.289 -5.642 11.461 1.00 99.10 N ATOM 1121 CZ ARG A 134 -47.008 -5.712 12.583 1.00 94.78 C ATOM 1122 NH1 ARG A 134 -46.435 -6.015 13.742 1.00 87.98 N ATOM 1123 NH2 ARG A 134 -48.311 -5.480 12.529 1.00 91.59 N ATOM 0 H ARG A 134 -43.463 -6.704 8.426 1.00 47.25 H new ATOM 0 HA ARG A 134 -42.318 -5.700 10.559 1.00 49.36 H new ATOM 0 HB2 ARG A 134 -42.911 -8.423 10.294 1.00 66.49 H new ATOM 0 HB3 ARG A 134 -42.608 -7.697 11.640 1.00 66.49 H new ATOM 0 HG2 ARG A 134 -44.966 -7.526 10.129 1.00 75.25 H new ATOM 0 HG3 ARG A 134 -44.846 -7.913 11.635 1.00 75.25 H new ATOM 0 HD2 ARG A 134 -44.426 -5.676 12.199 1.00 92.80 H new ATOM 0 HD3 ARG A 134 -44.475 -5.272 10.693 1.00 92.80 H new ATOM 0 HE ARG A 134 -46.709 -5.438 10.739 1.00 99.10 H new ATOM 0 HH11 ARG A 134 -45.590 -6.169 13.776 1.00 87.98 H new ATOM 0 HH12 ARG A 134 -46.909 -6.057 14.458 1.00 87.98 H new ATOM 0 HH21 ARG A 134 -48.683 -5.287 11.778 1.00 91.59 H new ATOM 0 HH22 ARG A 134 -48.785 -5.522 13.245 1.00 91.59 H new ATOM 1124 N LEU A 135 -40.459 -7.741 8.845 1.00 44.44 N ATOM 1125 CA LEU A 135 -39.043 -8.145 8.661 1.00 43.46 C ATOM 1126 C LEU A 135 -38.211 -6.882 8.371 1.00 48.64 C ATOM 1127 O LEU A 135 -37.154 -6.702 8.991 1.00 48.75 O ATOM 1128 CB LEU A 135 -38.877 -9.183 7.542 1.00 41.08 C ATOM 1129 CG LEU A 135 -37.428 -9.610 7.302 1.00 40.70 C ATOM 1130 CD1 LEU A 135 -36.798 -10.133 8.573 1.00 46.63 C ATOM 1131 CD2 LEU A 135 -37.305 -10.645 6.218 1.00 44.62 C ATOM 0 H LEU A 135 -41.016 -8.092 8.291 1.00 44.44 H new ATOM 0 HA LEU A 135 -38.730 -8.572 9.474 1.00 43.46 H new ATOM 0 HB2 LEU A 135 -39.404 -9.968 7.760 1.00 41.08 H new ATOM 0 HB3 LEU A 135 -39.238 -8.819 6.719 1.00 41.08 H new ATOM 0 HG LEU A 135 -36.955 -8.815 7.011 1.00 40.70 H new ATOM 0 HD11 LEU A 135 -35.882 -10.397 8.395 1.00 46.63 H new ATOM 0 HD12 LEU A 135 -36.809 -9.438 9.249 1.00 46.63 H new ATOM 0 HD13 LEU A 135 -37.299 -10.900 8.891 1.00 46.63 H new ATOM 0 HD21 LEU A 135 -36.372 -10.883 6.102 1.00 44.62 H new ATOM 0 HD22 LEU A 135 -37.812 -11.434 6.465 1.00 44.62 H new ATOM 0 HD23 LEU A 135 -37.652 -10.286 5.386 1.00 44.62 H new ATOM 1132 N TYR A 136 -38.667 -6.036 7.451 1.00 50.79 N ATOM 1133 CA TYR A 136 -37.881 -4.872 6.967 1.00 55.78 C ATOM 1134 C TYR A 136 -37.669 -3.916 8.149 1.00 50.75 C ATOM 1135 O TYR A 136 -36.544 -3.509 8.377 1.00 52.22 O ATOM 1136 CB TYR A 136 -38.538 -4.178 5.760 1.00 57.08 C ATOM 1137 CG TYR A 136 -37.704 -3.027 5.252 1.00 57.08 C ATOM 1138 CD1 TYR A 136 -36.445 -3.260 4.711 1.00 51.80 C ATOM 1139 CD2 TYR A 136 -38.118 -1.712 5.401 1.00 57.11 C ATOM 1140 CE1 TYR A 136 -35.629 -2.221 4.304 1.00 59.79 C ATOM 1141 CE2 TYR A 136 -37.314 -0.657 4.987 1.00 56.24 C ATOM 1142 CZ TYR A 136 -36.065 -0.913 4.449 1.00 56.04 C ATOM 1143 OH TYR A 136 -35.252 0.101 4.045 1.00 69.10 O ATOM 0 H TYR A 136 -39.440 -6.111 7.082 1.00 50.79 H new ATOM 0 HA TYR A 136 -37.021 -5.177 6.639 1.00 55.78 H new ATOM 0 HB2 TYR A 136 -38.667 -4.823 5.047 1.00 57.08 H new ATOM 0 HB3 TYR A 136 -39.417 -3.854 6.012 1.00 57.08 H new ATOM 0 HD1 TYR A 136 -36.145 -4.135 4.621 1.00 51.80 H new ATOM 0 HD2 TYR A 136 -38.946 -1.533 5.784 1.00 57.11 H new ATOM 0 HE1 TYR A 136 -34.794 -2.398 3.936 1.00 59.79 H new ATOM 0 HE2 TYR A 136 -37.615 0.219 5.071 1.00 56.24 H new ATOM 0 HH TYR A 136 -35.657 0.833 4.122 1.00 69.10 H new ATOM 1144 N GLY A 137 -38.738 -3.638 8.888 1.00 44.22 N ATOM 1145 CA GLY A 137 -38.747 -2.804 10.098 1.00 53.78 C ATOM 1146 C GLY A 137 -37.727 -3.271 11.116 1.00 56.58 C ATOM 1147 O GLY A 137 -37.020 -2.407 11.668 1.00 52.93 O ATOM 0 H GLY A 137 -39.518 -3.943 8.692 1.00 44.22 H new ATOM 0 HA2 GLY A 137 -38.563 -1.883 9.856 1.00 53.78 H new ATOM 0 HA3 GLY A 137 -39.632 -2.822 10.496 1.00 53.78 H new ATOM 1148 N ALA A 138 -37.614 -4.586 11.330 1.00 52.08 N ATOM 1149 CA ALA A 138 -36.652 -5.151 12.291 1.00 48.37 C ATOM 1150 C ALA A 138 -35.251 -4.911 11.739 1.00 48.00 C ATOM 1151 O ALA A 138 -34.348 -4.633 12.533 1.00 56.09 O ATOM 1152 CB ALA A 138 -36.928 -6.606 12.553 1.00 47.52 C ATOM 0 H ALA A 138 -38.091 -5.176 10.924 1.00 52.08 H new ATOM 0 HA ALA A 138 -36.736 -4.714 13.153 1.00 48.37 H new ATOM 0 HB1 ALA A 138 -36.280 -6.949 13.188 1.00 47.52 H new ATOM 0 HB2 ALA A 138 -37.821 -6.706 12.918 1.00 47.52 H new ATOM 0 HB3 ALA A 138 -36.861 -7.103 11.723 1.00 47.52 H new ATOM 1153 N VAL A 139 -35.074 -5.007 10.418 1.00 50.07 N ATOM 1154 CA VAL A 139 -33.737 -4.807 9.785 1.00 49.57 C ATOM 1155 C VAL A 139 -33.321 -3.336 9.960 1.00 51.50 C ATOM 1156 O VAL A 139 -32.138 -3.077 10.283 1.00 48.37 O ATOM 1157 CB VAL A 139 -33.732 -5.259 8.314 1.00 53.26 C ATOM 1158 CG1 VAL A 139 -32.517 -4.740 7.563 1.00 49.59 C ATOM 1159 CG2 VAL A 139 -33.804 -6.775 8.214 1.00 53.23 C ATOM 0 H VAL A 139 -35.705 -5.186 9.862 1.00 50.07 H new ATOM 0 HA VAL A 139 -33.079 -5.366 10.227 1.00 49.57 H new ATOM 0 HB VAL A 139 -34.521 -4.878 7.897 1.00 53.26 H new ATOM 0 HG11 VAL A 139 -32.550 -5.045 6.643 1.00 49.59 H new ATOM 0 HG12 VAL A 139 -32.515 -3.770 7.582 1.00 49.59 H new ATOM 0 HG13 VAL A 139 -31.709 -5.073 7.985 1.00 49.59 H new ATOM 0 HG21 VAL A 139 -33.800 -7.038 7.280 1.00 53.23 H new ATOM 0 HG22 VAL A 139 -33.038 -7.166 8.663 1.00 53.23 H new ATOM 0 HG23 VAL A 139 -34.620 -7.089 8.634 1.00 53.23 H new ATOM 1160 N VAL A 140 -34.257 -2.413 9.766 1.00 49.22 N ATOM 1161 CA VAL A 140 -34.006 -0.950 9.810 1.00 50.98 C ATOM 1162 C VAL A 140 -33.745 -0.564 11.276 1.00 56.83 C ATOM 1163 O VAL A 140 -32.782 0.178 11.534 1.00 53.95 O ATOM 1164 CB VAL A 140 -35.190 -0.209 9.176 1.00 52.27 C ATOM 1165 CG1 VAL A 140 -35.224 1.260 9.566 1.00 53.01 C ATOM 1166 CG2 VAL A 140 -35.188 -0.385 7.666 1.00 52.41 C ATOM 0 H VAL A 140 -35.077 -2.611 9.601 1.00 49.22 H new ATOM 0 HA VAL A 140 -33.225 -0.696 9.294 1.00 50.98 H new ATOM 0 HB VAL A 140 -36.003 -0.607 9.526 1.00 52.27 H new ATOM 0 HG11 VAL A 140 -35.985 1.689 9.145 1.00 53.01 H new ATOM 0 HG12 VAL A 140 -35.302 1.337 10.530 1.00 53.01 H new ATOM 0 HG13 VAL A 140 -34.407 1.692 9.272 1.00 53.01 H new ATOM 0 HG21 VAL A 140 -35.943 0.090 7.284 1.00 52.41 H new ATOM 0 HG22 VAL A 140 -34.363 -0.029 7.300 1.00 52.41 H new ATOM 0 HG23 VAL A 140 -35.257 -1.328 7.450 1.00 52.41 H new ATOM 1167 N GLN A 141 -34.523 -1.101 12.213 1.00 58.51 N ATOM 1168 CA GLN A 141 -34.278 -0.926 13.674 1.00 60.33 C ATOM 1169 C GLN A 141 -32.823 -1.285 14.008 1.00 56.76 C ATOM 1170 O GLN A 141 -32.158 -0.476 14.662 1.00 51.85 O ATOM 1171 CB GLN A 141 -35.202 -1.801 14.518 1.00 67.23 C ATOM 1172 CG GLN A 141 -36.555 -1.167 14.811 1.00 80.78 C ATOM 1173 CD GLN A 141 -36.832 -1.131 16.296 1.00 94.03 C ATOM 1174 OE1 GLN A 141 -36.333 -1.964 17.055 1.00 95.90 O ATOM 1175 NE2 GLN A 141 -37.616 -0.150 16.722 1.00 94.17 N ATOM 0 H GLN A 141 -35.214 -1.581 12.033 1.00 58.51 H new ATOM 0 HA GLN A 141 -34.457 0.004 13.884 1.00 60.33 H new ATOM 0 HB2 GLN A 141 -35.342 -2.644 14.059 1.00 67.23 H new ATOM 0 HB3 GLN A 141 -34.762 -2.005 15.358 1.00 67.23 H new ATOM 0 HG2 GLN A 141 -36.577 -0.266 14.454 1.00 80.78 H new ATOM 0 HG3 GLN A 141 -37.254 -1.667 14.361 1.00 80.78 H new ATOM 0 HE21 GLN A 141 -37.945 0.412 16.160 1.00 94.17 H new ATOM 0 HE22 GLN A 141 -37.795 -0.076 17.560 1.00 94.17 H new ATOM 1176 N ALA A 142 -32.359 -2.465 13.594 1.00 50.42 N ATOM 1177 CA ALA A 142 -30.971 -2.931 13.812 1.00 57.70 C ATOM 1178 C ALA A 142 -30.000 -1.924 13.177 1.00 62.59 C ATOM 1179 O ALA A 142 -29.001 -1.548 13.810 1.00 68.80 O ATOM 1180 CB ALA A 142 -30.784 -4.315 13.232 1.00 52.62 C ATOM 0 H ALA A 142 -32.846 -3.033 13.170 1.00 50.42 H new ATOM 0 HA ALA A 142 -30.788 -2.986 14.763 1.00 57.70 H new ATOM 0 HB1 ALA A 142 -29.871 -4.608 13.381 1.00 52.62 H new ATOM 0 HB2 ALA A 142 -31.396 -4.932 13.663 1.00 52.62 H new ATOM 0 HB3 ALA A 142 -30.964 -4.294 12.279 1.00 52.62 H new ATOM 1181 N MET A 143 -30.289 -1.502 11.951 1.00 57.50 N ATOM 1182 CA MET A 143 -29.380 -0.627 11.192 1.00 60.62 C ATOM 1183 C MET A 143 -29.381 0.768 11.838 1.00 59.18 C ATOM 1184 O MET A 143 -28.320 1.384 11.863 1.00 52.92 O ATOM 1185 CB MET A 143 -29.802 -0.565 9.721 1.00 54.84 C ATOM 1186 CG MET A 143 -29.305 -1.741 8.930 1.00 55.35 C ATOM 1187 SD MET A 143 -29.830 -1.665 7.205 1.00 56.22 S ATOM 1188 CE MET A 143 -28.466 -0.741 6.512 1.00 69.03 C ATOM 0 H MET A 143 -31.011 -1.709 11.532 1.00 57.50 H new ATOM 0 HA MET A 143 -28.478 -0.984 11.217 1.00 60.62 H new ATOM 0 HB2 MET A 143 -30.770 -0.528 9.667 1.00 54.84 H new ATOM 0 HB3 MET A 143 -29.464 0.253 9.325 1.00 54.84 H new ATOM 0 HG2 MET A 143 -28.336 -1.772 8.971 1.00 55.35 H new ATOM 0 HG3 MET A 143 -29.632 -2.561 9.331 1.00 55.35 H new ATOM 0 HE1 MET A 143 -28.609 -0.616 5.561 1.00 69.03 H new ATOM 0 HE2 MET A 143 -28.408 0.125 6.946 1.00 69.03 H new ATOM 0 HE3 MET A 143 -27.640 -1.229 6.653 1.00 69.03 H new ATOM 1189 N SER A 144 -30.513 1.223 12.374 1.00 60.89 N ATOM 1190 CA SER A 144 -30.687 2.590 12.926 1.00 66.80 C ATOM 1191 C SER A 144 -30.022 2.732 14.310 1.00 77.86 C ATOM 1192 O SER A 144 -29.926 3.866 14.775 1.00 81.25 O ATOM 1193 CB SER A 144 -32.131 2.989 12.964 1.00 63.24 C ATOM 1194 OG SER A 144 -32.761 2.418 14.095 1.00 77.50 O ATOM 0 H SER A 144 -31.223 0.742 12.433 1.00 60.89 H new ATOM 0 HA SER A 144 -30.235 3.203 12.326 1.00 66.80 H new ATOM 0 HB2 SER A 144 -32.207 3.956 12.996 1.00 63.24 H new ATOM 0 HB3 SER A 144 -32.577 2.696 12.154 1.00 63.24 H new ATOM 0 HG SER A 144 -32.521 1.617 14.175 1.00 77.50 H new ATOM 1195 N ARG A 145 -29.512 1.664 14.932 1.00 84.79 N ATOM 1196 CA ARG A 145 -28.527 1.806 16.044 1.00 97.07 C ATOM 1197 C ARG A 145 -27.164 2.239 15.468 1.00103.96 C ATOM 1198 O ARG A 145 -26.189 2.261 16.250 1.00108.78 O ATOM 1199 CB ARG A 145 -28.393 0.509 16.853 1.00102.61 C ATOM 1200 CG ARG A 145 -29.662 0.076 17.571 1.00104.16 C ATOM 1201 CD ARG A 145 -29.414 -1.037 18.579 1.00109.51 C ATOM 1202 NE ARG A 145 -30.443 -2.063 18.444 1.00113.60 N ATOM 1203 CZ ARG A 145 -30.314 -3.203 17.759 1.00119.36 C ATOM 1204 NH1 ARG A 145 -29.175 -3.510 17.155 1.00117.17 N ATOM 1205 NH2 ARG A 145 -31.332 -4.045 17.688 1.00116.98 N ATOM 0 H ARG A 145 -29.714 0.851 14.736 1.00 84.79 H new ATOM 0 HA ARG A 145 -28.849 2.487 16.655 1.00 97.07 H new ATOM 0 HB2 ARG A 145 -28.114 -0.203 16.256 1.00102.61 H new ATOM 0 HB3 ARG A 145 -27.687 0.622 17.509 1.00102.61 H new ATOM 0 HG2 ARG A 145 -30.048 0.840 18.027 1.00104.16 H new ATOM 0 HG3 ARG A 145 -30.313 -0.224 16.917 1.00104.16 H new ATOM 0 HD2 ARG A 145 -28.537 -1.426 18.435 1.00109.51 H new ATOM 0 HD3 ARG A 145 -29.421 -0.677 19.480 1.00109.51 H new ATOM 0 HE ARG A 145 -31.194 -1.922 18.838 1.00113.60 H new ATOM 0 HH11 ARG A 145 -28.505 -2.972 17.201 1.00117.17 H new ATOM 0 HH12 ARG A 145 -29.105 -4.247 16.717 1.00117.17 H new ATOM 0 HH21 ARG A 145 -32.073 -3.858 18.082 1.00116.98 H new ATOM 0 HH22 ARG A 145 -31.253 -4.780 17.248 1.00116.98 H new ATOM 1206 N GLY A 146 -27.092 2.547 14.159 1.00105.66 N ATOM 1207 CA GLY A 146 -25.935 3.167 13.474 1.00106.79 C ATOM 1208 C GLY A 146 -26.285 4.412 12.653 1.00110.33 C ATOM 1209 O GLY A 146 -25.401 4.875 11.911 1.00 94.73 O ATOM 0 H GLY A 146 -27.746 2.393 13.622 1.00105.66 H new ATOM 0 HA2 GLY A 146 -25.269 3.406 14.138 1.00106.79 H new ATOM 0 HA3 GLY A 146 -25.528 2.509 12.888 1.00106.79 H new ATOM 1210 N TRP A 147 -27.466 4.988 12.833 1.00116.81 N ATOM 1211 CA ATRP A 147 -28.057 6.125 12.066 0.50109.81 C ATOM 1212 CA BTRP A 147 -27.957 6.125 12.066 0.50109.81 C ATOM 1213 C TRP A 147 -28.624 7.184 13.026 1.00110.05 C ATOM 1214 O TRP A 147 -28.382 7.197 14.234 1.00123.01 O ATOM 1215 CB ATRP A 147 -29.130 5.626 11.089 0.50110.33 C ATOM 1216 CB BTRP A 147 -29.037 5.603 11.109 0.50110.33 C ATOM 1217 CG ATRP A 147 -28.698 5.623 9.655 0.50118.15 C ATOM 1218 CG BTRP A 147 -28.519 5.198 9.764 0.50118.15 C ATOM 1219 CD1ATRP A 147 -27.736 6.416 9.101 0.50120.99 C ATOM 1220 CD1BTRP A 147 -27.276 5.460 9.266 0.50120.99 C ATOM 1221 CD2ATRP A 147 -29.241 4.836 8.574 0.50119.62 C ATOM 1222 CD2BTRP A 147 -29.235 4.511 8.716 0.50119.62 C ATOM 1223 NE1ATRP A 147 -27.624 6.161 7.761 0.50118.44 N ATOM 1224 NE1BTRP A 147 -27.160 4.963 7.996 0.50118.44 N ATOM 1225 CE2ATRP A 147 -28.536 5.200 7.408 0.50115.67 C ATOM 1226 CE2BTRP A 147 -28.344 4.380 7.630 0.50115.67 C ATOM 1227 CE3ATRP A 147 -30.243 3.862 8.468 0.50122.46 C ATOM 1228 CE3BTRP A 147 -30.529 3.991 8.580 0.50122.46 C ATOM 1229 CZ2ATRP A 147 -28.806 4.627 6.166 0.50116.81 C ATOM 1230 CZ2BTRP A 147 -28.712 3.756 6.438 0.50116.81 C ATOM 1231 CZ3ATRP A 147 -30.510 3.298 7.239 0.50119.07 C ATOM 1232 CZ3BTRP A 147 -30.890 3.377 7.401 0.50119.07 C ATOM 1233 CH2ATRP A 147 -29.798 3.675 6.103 0.50117.92 C ATOM 1234 CH2BTRP A 147 -29.991 3.260 6.343 0.50117.92 C ATOM 1235 OXTATRP A 147 -29.359 8.081 12.612 0.17 30.00 O ATOM 1236 OXTBTRP A 147 -29.259 8.081 12.612 0.50 30.00 O ATOM 0 H ATRP A 147 -27.998 4.716 13.451 0.50116.81 H new ATOM 0 H BTRP A 147 -28.025 4.717 13.428 0.50116.81 H new ATOM 0 HA ATRP A 147 -27.354 6.541 11.542 0.50109.81 H new ATOM 0 HA BTRP A 147 -27.222 6.543 11.590 0.50109.81 H new ATOM 0 HB2ATRP A 147 -29.389 4.726 11.341 0.50110.33 H new ATOM 0 HB2BTRP A 147 -29.477 4.841 11.518 0.50110.33 H new ATOM 0 HB3ATRP A 147 -29.919 6.183 11.178 0.50110.33 H new ATOM 0 HB3BTRP A 147 -29.711 6.291 10.992 0.50110.33 H new ATOM 0 HD1ATRP A 147 -27.229 7.041 9.567 0.50120.99 H new ATOM 0 HD1BTRP A 147 -26.604 5.911 9.724 0.50120.99 H new ATOM 0 HE1ATRP A 147 -27.070 6.543 7.226 0.50118.44 H new ATOM 0 HE1BTRP A 147 -26.455 5.009 7.505 0.50118.44 H new ATOM 0 HE3ATRP A 147 -30.723 3.599 9.220 0.50122.46 H new ATOM 0 HE3BTRP A 147 -31.138 4.060 9.279 0.50122.46 H new ATOM 0 HZ2ATRP A 147 -28.332 4.879 5.406 0.50116.81 H new ATOM 0 HZ2BTRP A 147 -28.113 3.678 5.731 0.50116.81 H new ATOM 0 HZ3ATRP A 147 -31.177 2.654 7.167 0.50119.07 H new ATOM 0 HZ3BTRP A 147 -31.750 3.034 7.309 0.50119.07 H new ATOM 0 HH2ATRP A 147 -29.997 3.276 5.287 0.50117.92 H new ATOM 0 HH2BTRP A 147 -30.261 2.839 5.559 0.50117.92 H new TER 1237 TRP A 147 HETATM 1238 CHAAHEM A 201 -22.471 0.004 0.510 0.54 34.68 C HETATM 1239 CHABHEM A 201 -22.798 0.119 0.511 0.46 47.54 C HETATM 1240 CHBAHEM A 201 -25.561 3.356 -1.073 0.54 34.46 C HETATM 1241 CHBBHEM A 201 -26.455 -2.814 1.645 0.46 45.42 C HETATM 1242 CHCAHEM A 201 -29.220 0.753 0.668 0.54 39.26 C HETATM 1243 CHCBHEM A 201 -29.633 0.717 0.500 0.46 45.73 C HETATM 1244 CHDAHEM A 201 -26.245 -2.989 1.245 0.54 36.36 C HETATM 1245 CHDBHEM A 201 -25.936 3.384 -1.116 0.46 41.75 C HETATM 1246 C1AAHEM A 201 -22.998 1.182 0.043 0.54 36.88 C HETATM 1247 C1ABHEM A 201 -23.540 -0.966 0.913 0.46 48.69 C HETATM 1248 C2AAHEM A 201 -22.243 2.345 -0.239 0.54 38.63 C HETATM 1249 C2ABHEM A 201 -22.962 -2.216 1.242 0.46 47.26 C HETATM 1250 C3AAHEM A 201 -23.111 3.272 -0.678 0.54 39.28 C HETATM 1251 C3ABHEM A 201 -23.989 -3.049 1.556 0.46 49.05 C HETATM 1252 C4AAHEM A 201 -24.398 2.691 -0.704 0.54 38.08 C HETATM 1253 C4ABHEM A 201 -25.198 -2.315 1.423 0.46 49.74 C HETATM 1254 CMAAHEM A 201 -22.782 4.686 -1.127 0.54 39.10 C HETATM 1255 CMABHEM A 201 -23.865 -4.501 1.984 0.46 50.73 C HETATM 1256 CAAAHEM A 201 -20.746 2.546 -0.082 0.54 40.70 C HETATM 1257 CAABHEM A 201 -21.471 -2.554 1.249 0.46 53.19 C HETATM 1258 CBAAHEM A 201 -20.467 3.031 1.363 0.54 43.84 C HETATM 1259 CBABHEM A 201 -20.937 -2.728 2.690 0.46 56.05 C HETATM 1260 CGAAHEM A 201 -19.022 2.943 1.803 0.54 43.41 C HETATM 1261 CGABHEM A 201 -19.529 -3.308 2.768 0.46 57.56 C HETATM 1262 O1AAHEM A 201 -18.114 2.783 0.973 0.54 46.55 O HETATM 1263 O1ABHEM A 201 -19.253 -4.103 3.703 0.46 58.78 O HETATM 1264 O2AAHEM A 201 -18.729 2.999 3.019 0.54 41.31 O HETATM 1265 O2ABHEM A 201 -18.632 -3.016 1.938 0.46 49.48 O HETATM 1266 C1BAHEM A 201 -26.822 2.903 -0.714 0.54 35.38 C HETATM 1267 C1BBHEM A 201 -27.608 -2.063 1.422 0.46 45.57 C HETATM 1268 C2BAHEM A 201 -27.978 3.734 -0.868 0.54 37.84 C HETATM 1269 C2BBHEM A 201 -28.877 -2.600 1.722 0.46 46.18 C HETATM 1270 C3BAHEM A 201 -29.020 3.004 -0.376 0.54 35.74 C HETATM 1271 C3BBHEM A 201 -29.795 -1.648 1.412 0.46 45.78 C HETATM 1272 C4BAHEM A 201 -28.434 1.743 0.116 0.54 38.77 C HETATM 1273 C4BBHEM A 201 -29.033 -0.479 0.922 0.46 45.96 C HETATM 1274 CMBAHEM A 201 -28.039 5.136 -1.502 0.54 37.95 C HETATM 1275 CMBBHEM A 201 -29.128 -3.982 2.274 0.46 46.21 C HETATM 1276 CABAHEM A 201 -30.431 3.355 -0.197 0.54 34.14 C HETATM 1277 CABBHEM A 201 -31.248 -1.786 1.575 0.46 47.32 C HETATM 1278 CBBAHEM A 201 -30.864 4.597 -0.249 0.54 35.68 C HETATM 1279 CBBBHEM A 201 -31.694 -2.937 2.076 0.46 46.92 C HETATM 1280 C1CAHEM A 201 -28.749 -0.504 0.994 0.54 37.54 C HETATM 1281 C1CBHEM A 201 -28.907 1.747 -0.088 0.46 44.00 C HETATM 1282 C2CAHEM A 201 -29.523 -1.475 1.635 0.54 36.17 C HETATM 1283 C2CBHEM A 201 -29.423 2.825 -0.811 0.46 39.48 C HETATM 1284 C3CAHEM A 201 -28.666 -2.563 1.808 0.54 37.58 C HETATM 1285 C3CBHEM A 201 -28.375 3.587 -1.283 0.46 39.50 C HETATM 1286 C4CAHEM A 201 -27.389 -2.217 1.237 0.54 36.30 C HETATM 1287 C4CBHEM A 201 -27.196 2.933 -0.847 0.46 40.34 C HETATM 1288 CMCAHEM A 201 -30.989 -1.285 2.045 0.54 35.45 C HETATM 1289 CMCBHEM A 201 -30.863 3.129 -1.031 0.46 40.59 C HETATM 1290 CACAHEM A 201 -28.963 -3.863 2.450 0.54 38.20 C HETATM 1291 CACBHEM A 201 -28.472 4.810 -2.133 0.46 34.59 C HETATM 1292 CBCAHEM A 201 -30.140 -4.140 3.003 0.54 42.27 C HETATM 1293 CBCBHEM A 201 -27.400 5.276 -2.736 0.46 31.62 C HETATM 1294 C1DAHEM A 201 -24.970 -2.446 1.099 0.54 38.94 C HETATM 1295 C1DBHEM A 201 -24.808 2.670 -0.754 0.46 46.84 C HETATM 1296 C2DAHEM A 201 -23.746 -3.226 1.388 0.54 35.78 C HETATM 1297 C2DBHEM A 201 -23.474 3.212 -1.033 0.46 50.85 C HETATM 1298 C3DAHEM A 201 -22.724 -2.375 1.185 0.54 34.50 C HETATM 1299 C3DBHEM A 201 -22.605 2.306 -0.574 0.46 49.35 C HETATM 1300 C4DAHEM A 201 -23.296 -1.092 0.803 0.54 36.20 C HETATM 1301 C4DBHEM A 201 -23.420 1.228 -0.017 0.46 47.18 C HETATM 1302 CMDAHEM A 201 -23.614 -4.699 1.818 0.54 35.82 C HETATM 1303 CMDBHEM A 201 -23.171 4.542 -1.698 0.46 51.41 C HETATM 1304 CADAHEM A 201 -21.237 -2.656 1.351 0.54 38.65 C HETATM 1305 CADBHEM A 201 -21.097 2.355 -0.602 0.46 50.14 C HETATM 1306 CBDAHEM A 201 -20.848 -2.066 2.726 0.54 41.25 C HETATM 1307 CBDBHEM A 201 -20.658 2.110 0.844 0.46 52.73 C HETATM 1308 CGDAHEM A 201 -19.351 -1.966 2.881 0.54 40.29 C HETATM 1309 CGDBHEM A 201 -19.457 1.218 1.085 0.46 53.96 C HETATM 1310 O1DAHEM A 201 -18.824 -2.530 3.855 0.54 39.77 O HETATM 1311 O1DBHEM A 201 -18.839 1.494 2.135 0.46 55.45 O HETATM 1312 O2DAHEM A 201 -18.669 -1.322 2.056 0.54 42.68 O HETATM 1313 O2DBHEM A 201 -19.083 0.250 0.343 0.46 51.22 O HETATM 1314 NA AHEM A 201 -24.327 1.410 -0.227 0.54 36.43 N HETATM 1315 NA BHEM A 201 -24.922 -1.039 1.006 0.46 46.21 N HETATM 1316 NB AHEM A 201 -27.132 1.742 -0.131 0.54 35.44 N HETATM 1317 NB BHEM A 201 -27.740 -0.818 0.958 0.46 43.31 N HETATM 1318 NC AHEM A 201 -27.484 -0.938 0.775 0.54 34.88 N HETATM 1319 NC BHEM A 201 -27.550 1.821 -0.137 0.46 42.45 N HETATM 1320 ND AHEM A 201 -24.644 -1.185 0.764 0.54 35.87 N HETATM 1321 ND BHEM A 201 -24.731 1.478 -0.153 0.46 45.36 N HETATM 1322 FE AHEM A 201 -25.814 0.188 0.321 0.54 35.30 FE HETATM 1323 FE BHEM A 201 -26.155 0.389 0.383 0.46 41.14 FE HETATM 0 HMA1AHEM A 201 -22.028 5.021 -0.617 0.54 50.73 H new HETATM 0 HMA1BHEM A 201 -23.083 -4.896 1.567 0.46 50.73 H new HETATM 0 HMA2AHEM A 201 -23.551 5.259 -0.981 0.54 50.73 H new HETATM 0 HMA2BHEM A 201 -24.658 -4.988 1.710 0.46 50.73 H new HETATM 0 HMA3AHEM A 201 -22.557 4.682 -2.071 0.54 50.73 H new HETATM 0 HMA3BHEM A 201 -23.775 -4.548 2.949 0.46 50.73 H new HETATM 0 HMB1AHEM A 201 -28.911 5.272 -1.903 0.54 46.21 H new HETATM 0 HMB1BHEM A 201 -28.434 -4.585 1.965 0.46 46.21 H new HETATM 0 HMB2AHEM A 201 -27.354 5.213 -2.185 0.54 46.21 H new HETATM 0 HMB2BHEM A 201 -29.992 -4.301 1.969 0.46 46.21 H new HETATM 0 HMB3AHEM A 201 -27.890 5.807 -0.818 0.54 46.21 H new HETATM 0 HMB3BHEM A 201 -29.120 -3.950 3.243 0.46 46.21 H new HETATM 0 HMC1AHEM A 201 -31.446 -2.141 2.021 0.54 40.59 H new HETATM 0 HMC1BHEM A 201 -31.371 2.303 -1.037 0.46 40.59 H new HETATM 0 HMC2AHEM A 201 -31.420 -0.671 1.430 0.54 40.59 H new HETATM 0 HMC2BHEM A 201 -30.972 3.581 -1.882 0.46 40.59 H new HETATM 0 HMC3AHEM A 201 -31.029 -0.923 2.944 0.54 40.59 H new HETATM 0 HMC3BHEM A 201 -31.186 3.701 -0.317 0.46 40.59 H new HETATM 0 HMD1AHEM A 201 -22.775 -5.058 1.489 0.54 51.41 H new HETATM 0 HMD1BHEM A 201 -22.328 4.886 -1.364 0.46 51.41 H new HETATM 0 HMD2AHEM A 201 -24.351 -5.211 1.450 0.54 51.41 H new HETATM 0 HMD2BHEM A 201 -23.880 5.173 -1.497 0.46 51.41 H new HETATM 0 HMD3AHEM A 201 -23.633 -4.757 2.786 0.54 51.41 H new HETATM 0 HMD3BHEM A 201 -23.112 4.418 -2.658 0.46 51.41 H new HETATM 0 HBB1AHEM A 201 -31.807 4.787 -0.125 0.54 46.92 H new HETATM 0 HBB1BHEM A 201 -32.646 -3.075 2.202 0.46 46.92 H new HETATM 0 HBB2AHEM A 201 -30.240 5.322 -0.411 0.54 46.92 H new HETATM 0 HBB2BHEM A 201 -31.067 -3.637 2.315 0.46 46.92 H new HETATM 0 HBC1AHEM A 201 -30.291 -5.006 3.413 0.54 31.62 H new HETATM 0 HBC1BHEM A 201 -27.461 6.071 -3.289 0.46 31.62 H new HETATM 0 HBC2AHEM A 201 -30.847 -3.476 2.996 0.54 31.62 H new HETATM 0 HBC2BHEM A 201 -26.548 4.825 -2.628 0.46 31.62 H new HETATM 0 HBA1AHEM A 201 -21.009 2.509 1.975 0.54 56.05 H new HETATM 0 HBA1BHEM A 201 -21.542 -3.306 3.181 0.46 56.05 H new HETATM 0 HBA2AHEM A 201 -20.759 3.953 1.442 0.54 56.05 H new HETATM 0 HBA2BHEM A 201 -20.946 -1.866 3.134 0.46 56.05 H new HETATM 0 HAA1AHEM A 201 -20.424 3.197 -0.725 0.54 53.19 H new HETATM 0 HAA1BHEM A 201 -20.976 -1.850 0.802 0.46 53.19 H new HETATM 0 HAA2AHEM A 201 -20.274 1.717 -0.257 0.54 53.19 H new HETATM 0 HAA2BHEM A 201 -21.320 -3.370 0.746 0.46 53.19 H new HETATM 0 HBD1AHEM A 201 -21.211 -2.622 3.433 0.54 52.73 H new HETATM 0 HBD1BHEM A 201 -21.411 1.729 1.322 0.46 52.73 H new HETATM 0 HBD2AHEM A 201 -21.244 -1.186 2.826 0.54 52.73 H new HETATM 0 HBD2BHEM A 201 -20.473 2.972 1.248 0.46 52.73 H new HETATM 0 HAD1AHEM A 201 -20.723 -2.245 0.638 0.54 50.14 H new HETATM 0 HAD1BHEM A 201 -20.781 3.214 -0.923 0.46 50.14 H new HETATM 0 HAD2AHEM A 201 -21.057 -3.609 1.318 0.54 50.14 H new HETATM 0 HAD2BHEM A 201 -20.736 1.679 -1.197 0.46 50.14 H new HETATM 0 HHAAHEM A 201 -21.552 -0.069 0.634 0.54 47.54 H new HETATM 0 HHABHEM A 201 -21.872 0.104 0.596 0.46 47.54 H new HETATM 0 HHBAHEM A 201 -25.491 4.133 -1.579 0.54 45.42 H new HETATM 0 HHBBHEM A 201 -26.542 -3.686 1.956 0.46 45.42 H new HETATM 0 HHCAHEM A 201 -30.116 0.942 0.830 0.54 45.73 H new HETATM 0 HHCBHEM A 201 -30.549 0.825 0.618 0.46 45.73 H new HETATM 0 HHDAHEM A 201 -26.328 -3.909 1.352 0.54 41.75 H new HETATM 0 HHDBHEM A 201 -25.833 4.197 -1.556 0.46 41.75 H new HETATM 0 HABAHEM A 201 -31.071 2.645 -0.034 0.54 47.32 H new HETATM 0 HABBHEM A 201 -31.856 -1.071 1.329 0.46 47.32 H new HETATM 0 HACAHEM A 201 -28.270 -4.541 2.468 0.54 34.59 H new HETATM 0 HACBHEM A 201 -29.324 5.260 -2.241 0.46 34.59 H new HETATM 1324 S SO4 A 202 -39.416 -22.893 11.287 0.80 61.62 S HETATM 1325 O1 SO4 A 202 -40.186 -23.486 10.217 0.80 61.29 O HETATM 1326 O2 SO4 A 202 -38.044 -23.267 11.144 0.80 71.27 O HETATM 1327 O3 SO4 A 202 -39.525 -21.458 11.214 0.80 74.95 O HETATM 1328 O4 SO4 A 202 -39.898 -23.329 12.574 0.80 65.86 O HETATM 1329 C TRS A 203 -29.401 -14.061 -3.492 1.00 86.39 C HETATM 1330 C1 TRS A 203 -28.652 -12.820 -3.976 1.00 81.39 C HETATM 1331 C2 TRS A 203 -30.782 -13.696 -2.947 1.00 91.66 C HETATM 1332 C3 TRS A 203 -29.524 -15.088 -4.611 1.00 89.57 C HETATM 1333 N TRS A 203 -28.613 -14.696 -2.380 1.00 97.93 N HETATM 1334 O1 TRS A 203 -27.319 -13.100 -4.389 1.00 74.05 O HETATM 1335 O2 TRS A 203 -31.649 -13.158 -3.937 1.00 93.12 O HETATM 1336 O3 TRS A 203 -29.761 -16.389 -4.099 1.00 86.35 O HETATM 0 HO3 TRS A 203 -29.826 -16.933 -4.736 1.00 86.35 H new HETATM 0 HO2 TRS A 203 -32.370 -13.588 -3.942 1.00 93.12 H new HETATM 0 HO1 TRS A 203 -26.907 -12.379 -4.516 1.00 74.05 H new HETATM 0 HN3 TRS A 203 -28.695 -15.551 -2.422 1.00 97.93 H new HETATM 0 HN2 TRS A 203 -27.783 -14.483 -2.458 1.00 97.93 H new HETATM 0 HN1 TRS A 203 -28.910 -14.417 -1.622 1.00 97.93 H new HETATM 0 H32 TRS A 203 -30.248 -14.836 -5.205 1.00 89.57 H new HETATM 0 H31 TRS A 203 -28.711 -15.090 -5.140 1.00 89.57 H new HETATM 0 H22 TRS A 203 -31.191 -14.487 -2.562 1.00 91.66 H new HETATM 0 H21 TRS A 203 -30.680 -13.051 -2.229 1.00 91.66 H new HETATM 0 H12 TRS A 203 -29.138 -12.423 -4.716 1.00 81.39 H new HETATM 0 H11 TRS A 203 -28.633 -12.162 -3.264 1.00 81.39 H new HETATM 1337 C1 PEG A 204 -24.487 -10.848 5.827 1.00 71.33 C HETATM 1338 O1 PEG A 204 -23.456 -11.317 6.673 1.00 67.03 O HETATM 1339 C2 PEG A 204 -24.242 -11.198 4.400 1.00 72.99 C HETATM 1340 O2 PEG A 204 -23.789 -10.043 3.708 1.00 80.01 O HETATM 1341 C3 PEG A 204 -22.982 -10.340 2.569 1.00 83.42 C HETATM 1342 C4 PEG A 204 -22.890 -9.115 1.688 1.00 81.74 C HETATM 1343 O4 PEG A 204 -21.602 -8.940 1.113 1.00 82.05 O HETATM 0 HO4 PEG A 204 -21.601 -8.251 0.633 1.00 82.05 H new HETATM 0 HO1 PEG A 204 -23.625 -11.102 7.467 1.00 67.03 H new HETATM 0 H42 PEG A 204 -23.549 -9.182 0.979 1.00 81.74 H new HETATM 0 H41 PEG A 204 -23.115 -8.329 2.211 1.00 81.74 H new HETATM 0 H32 PEG A 204 -22.096 -10.616 2.851 1.00 83.42 H new HETATM 0 H31 PEG A 204 -23.365 -11.080 2.073 1.00 83.42 H new HETATM 0 H22 PEG A 204 -23.581 -11.906 4.338 1.00 72.99 H new HETATM 0 H21 PEG A 204 -25.056 -11.534 3.993 1.00 72.99 H new HETATM 0 H12 PEG A 204 -25.334 -11.226 6.111 1.00 71.33 H new HETATM 0 H11 PEG A 204 -24.563 -9.885 5.914 1.00 71.33 H new HETATM 1344 C1 GOL A 205 -41.180 -9.346 13.617 1.00109.30 C HETATM 1345 O1 GOL A 205 -42.197 -9.838 14.493 1.00103.72 O HETATM 1346 C2 GOL A 205 -39.852 -10.051 13.839 1.00102.21 C HETATM 1347 O2 GOL A 205 -39.098 -9.356 14.831 1.00108.31 O HETATM 1348 C3 GOL A 205 -39.010 -10.197 12.588 1.00 96.27 C HETATM 1349 O3 GOL A 205 -37.981 -11.170 12.762 1.00 88.76 O HETATM 0 HO3 GOL A 205 -38.160 -11.852 12.306 1.00 88.76 H new HETATM 0 HO2 GOL A 205 -38.365 -9.749 14.952 1.00108.31 H new HETATM 0 HO1 GOL A 205 -41.919 -10.525 14.888 1.00103.72 H new HETATM 0 H32 GOL A 205 -39.576 -10.453 11.843 1.00 96.27 H new HETATM 0 H31 GOL A 205 -38.613 -9.341 12.362 1.00 96.27 H new HETATM 0 H2 GOL A 205 -40.073 -10.950 14.130 1.00102.21 H new HETATM 0 H12 GOL A 205 -41.460 -9.467 12.696 1.00109.30 H new HETATM 0 H11 GOL A 205 -41.067 -8.393 13.756 1.00109.30 H new HETATM 1350 C1 GOL A 206 -42.400 -2.685 -13.168 1.00 92.68 C HETATM 1351 O1 GOL A 206 -42.574 -4.104 -13.105 1.00 99.56 O HETATM 1352 C2 GOL A 206 -41.264 -2.345 -14.103 1.00 77.78 C HETATM 1353 O2 GOL A 206 -40.224 -1.607 -13.447 1.00 67.72 O HETATM 1354 C3 GOL A 206 -40.742 -3.622 -14.709 1.00 74.26 C HETATM 1355 O3 GOL A 206 -41.812 -4.426 -15.208 1.00 71.78 O HETATM 0 HO3 GOL A 206 -41.501 -5.131 -15.542 1.00 71.78 H new HETATM 0 HO2 GOL A 206 -39.611 -1.438 -13.996 1.00 67.72 H new HETATM 0 HO1 GOL A 206 -42.847 -4.386 -13.847 1.00 99.56 H new HETATM 0 H32 GOL A 206 -40.126 -3.414 -15.429 1.00 74.26 H new HETATM 0 H31 GOL A 206 -40.242 -4.120 -14.043 1.00 74.26 H new HETATM 0 H2 GOL A 206 -41.596 -1.764 -14.805 1.00 77.78 H new HETATM 0 H12 GOL A 206 -43.218 -2.265 -13.475 1.00 92.68 H new HETATM 0 H11 GOL A 206 -42.216 -2.335 -12.282 1.00 92.68 H new HETATM 1356 C1 PEG A 207 -46.904 -0.378 -14.225 0.50101.05 C HETATM 1357 O1 PEG A 207 -46.950 -1.590 -14.921 0.50104.43 O HETATM 1358 C2 PEG A 207 -46.871 -0.588 -12.782 0.50 86.86 C HETATM 1359 O2 PEG A 207 -46.415 0.598 -12.173 0.50 98.75 O HETATM 1360 C3 PEG A 207 -47.198 0.961 -11.049 0.50204.60 C HETATM 1361 C4 PEG A 207 -46.818 2.334 -10.601 0.50202.41 C HETATM 1362 O4 PEG A 207 -47.746 2.888 -9.689 0.50195.84 O HETATM 0 HO4 PEG A 207 -47.493 3.657 -9.464 0.50195.84 H new HETATM 0 HO1 PEG A 207 -46.970 -1.438 -15.747 0.50104.43 H new HETATM 0 H42 PEG A 207 -45.942 2.304 -10.186 0.50202.41 H new HETATM 0 H41 PEG A 207 -46.746 2.914 -11.375 0.50202.41 H new HETATM 0 H32 PEG A 207 -48.141 0.934 -11.277 0.50204.60 H new HETATM 0 H31 PEG A 207 -47.062 0.326 -10.329 0.50204.60 H new HETATM 0 H22 PEG A 207 -47.754 -0.818 -12.454 0.50 86.86 H new HETATM 0 H21 PEG A 207 -46.284 -1.328 -12.562 0.50 86.86 H new HETATM 0 H12 PEG A 207 -46.119 0.123 -14.498 0.50101.05 H new HETATM 0 H11 PEG A 207 -47.678 0.159 -14.457 0.50101.05 H new HETATM 1363 C1 PEG A 208 -34.054 13.980 6.294 1.00111.58 C HETATM 1364 O1 PEG A 208 -35.188 14.233 5.466 1.00104.87 O HETATM 1365 C2 PEG A 208 -34.389 13.961 7.762 1.00109.64 C HETATM 1366 O2 PEG A 208 -34.116 12.675 8.312 1.00104.42 O HETATM 1367 C3 PEG A 208 -32.748 12.467 8.646 1.00 94.52 C HETATM 1368 C4 PEG A 208 -32.620 11.191 9.416 1.00 94.63 C HETATM 1369 O4 PEG A 208 -31.325 10.632 9.310 1.00 88.86 O HETATM 0 HO4 PEG A 208 -31.247 10.000 9.858 1.00 88.86 H new HETATM 0 HO1 PEG A 208 -34.968 14.746 4.838 1.00104.87 H new HETATM 0 H42 PEG A 208 -32.824 11.357 10.350 1.00 94.63 H new HETATM 0 H41 PEG A 208 -33.274 10.552 9.092 1.00 94.63 H new HETATM 0 H32 PEG A 208 -32.209 12.427 7.840 1.00 94.52 H new HETATM 0 H31 PEG A 208 -32.416 13.210 9.173 1.00 94.52 H new HETATM 0 H22 PEG A 208 -33.871 14.636 8.228 1.00109.64 H new HETATM 0 H21 PEG A 208 -35.325 14.183 7.890 1.00109.64 H new HETATM 0 H12 PEG A 208 -33.662 13.128 6.046 1.00111.58 H new HETATM 0 H11 PEG A 208 -33.382 14.660 6.130 1.00111.58 H new HETATM 1370 O HOH A 301 -19.017 3.791 -14.310 1.00 59.85 O HETATM 1371 O HOH A 302 -42.895 1.323 4.582 1.00 67.39 O HETATM 1372 O HOH A 303 -20.561 -7.871 -5.365 1.00 60.25 O HETATM 1373 O HOH A 304 -40.739 -18.699 -9.824 1.00 65.11 O HETATM 1374 O HOH A 305 -46.513 -1.875 -2.803 1.00 70.25 O HETATM 1375 O HOH A 306 -43.321 -7.727 14.981 1.00 68.83 O HETATM 1376 O HOH A 307 -36.441 -18.418 0.415 1.00 50.66 O HETATM 1377 O HOH A 308 -50.107 -12.336 9.726 1.00 53.37 O HETATM 1378 O HOH A 309 -20.938 -6.109 4.095 1.00 55.15 O HETATM 1379 O HOH A 310 -23.999 -10.513 -9.729 1.00 53.76 O HETATM 1380 O HOH A 311 -20.747 -9.465 -1.269 1.00 70.77 O HETATM 1381 O HOH A 312 -30.201 -16.610 -6.697 1.00 54.37 O HETATM 1382 O HOH A 313 -21.129 10.700 0.239 1.00 53.19 O HETATM 1383 O HOH A 314 -42.758 -26.453 15.446 1.00 46.10 O HETATM 1384 O HOH A 315 -43.761 2.588 -4.227 1.00 59.59 O HETATM 1385 O HOH A 316 -43.962 -28.918 12.906 1.00 59.23 O HETATM 1386 O HOH A 317 -45.778 6.821 -3.588 1.00 67.86 O HETATM 1387 O HOH A 318 -22.765 -2.373 -14.505 1.00 39.87 O HETATM 1388 O HOH A 319 -20.895 13.799 -8.536 1.00 66.15 O HETATM 1389 O HOH A 320 -20.380 7.396 -3.315 1.00 49.98 O HETATM 1390 O HOH A 321 -26.030 -15.269 11.138 1.00 72.45 O HETATM 1391 O HOH A 322 -36.421 -6.118 -14.125 1.00 45.51 O HETATM 1392 O HOH A 323 -43.843 7.414 -7.575 1.00 76.29 O HETATM 1393 O HOH A 324 -36.412 -22.829 14.287 1.00 65.32 O HETATM 1394 O HOH A 325 -41.588 -20.138 -3.836 1.00 57.79 O HETATM 1395 O HOH A 326 -27.540 -0.438 -6.323 1.00 34.76 O HETATM 1396 O HOH A 327 -38.557 -7.672 -13.254 1.00 49.94 O HETATM 1397 O HOH A 328 -31.355 -11.395 -12.075 1.00 34.66 O HETATM 1398 O HOH A 329 -18.587 -5.432 0.608 1.00 62.11 O HETATM 1399 O HOH A 330 -41.491 -22.768 -2.295 1.00 63.61 O HETATM 1400 O HOH A 331 -34.220 -5.244 15.230 1.00 62.35 O HETATM 1401 O HOH A 332 -32.408 -17.138 13.093 1.00 60.12 O HETATM 1402 O HOH A 333 -42.830 -16.227 18.496 1.00 63.76 O HETATM 1403 O HOH A 334 -49.166 -18.836 13.727 1.00 48.43 O HETATM 1404 O HOH A 335 -34.665 13.345 -3.969 1.00 43.31 O HETATM 1405 O HOH A 336 -32.126 -19.837 11.673 1.00 70.40 O HETATM 1406 O HOH A 337 -17.325 -5.740 -5.357 1.00 65.32 O HETATM 1407 O HOH A 338 -32.681 -19.858 -8.107 1.00 61.37 O HETATM 1408 O HOH A 339 -39.598 -22.937 3.168 1.00 62.49 O HETATM 1409 O HOH A 340 -39.919 -7.006 -9.256 1.00 36.04 O HETATM 1410 O HOH A 341 -34.815 -19.440 -6.006 1.00 58.76 O HETATM 1411 O HOH A 342 -49.747 -17.251 11.919 1.00 58.37 O HETATM 1412 O HOH A 343 -20.903 10.566 -12.001 1.00 61.19 O HETATM 1413 O HOH A 344 -52.180 -8.697 7.204 1.00 62.88 O HETATM 1414 O HOH A 345 -18.835 -1.552 -6.404 1.00 55.62 O HETATM 1415 O HOH A 346 -27.693 12.112 -0.087 1.00 53.59 O HETATM 1416 O HOH A 347 -53.312 -12.808 3.921 1.00 52.53 O HETATM 1417 O HOH A 348 -41.521 -13.476 -10.795 1.00 50.02 O HETATM 1418 O HOH A 349 -47.984 -1.767 2.729 1.00 62.22 O HETATM 1419 O HOH A 350 -51.250 -6.904 -0.573 1.00 63.52 O HETATM 1420 O HOH A 351 -16.893 -4.414 -3.596 1.00 60.85 O HETATM 1421 O HOH A 352 -19.838 9.144 -9.856 1.00 58.12 O HETATM 1422 O HOH A 353 -17.753 0.761 -2.885 1.00 76.25 O HETATM 1423 O HOH A 354 -50.209 3.696 -11.882 1.00 75.95 O HETATM 1424 O HOH A 355 -41.700 -10.375 -12.288 1.00 64.10 O HETATM 1425 O HOH A 356 -20.452 -9.278 -3.659 1.00 54.34 O HETATM 1426 O HOH A 357 -34.130 -18.373 -1.728 1.00 57.97 O HETATM 1427 O HOH A 358 -45.731 -11.975 -12.245 1.00 68.43 O HETATM 1428 O HOH A 359 -40.629 -7.397 -11.761 1.00 51.64 O HETATM 1429 O HOH A 360 -34.826 -20.158 4.216 1.00 62.69 O HETATM 1430 O HOH A 361 -19.340 -9.100 4.718 1.00 74.19 O HETATM 1431 O HOH A 362 -41.801 -0.462 5.274 1.00 68.82 O HETATM 1432 O HOH A 363 -45.251 -17.177 -4.202 1.00 63.77 O HETATM 1433 O HOH A 364 -38.201 11.740 2.273 1.00 66.97 O HETATM 1434 O HOH A 365 -7.453 7.548 6.902 1.00 71.24 O CONECT 515 1322 CONECT 516 1323 CONECT 793 1322 CONECT 794 1323 CONECT 1238 1246 1300 CONECT 1239 1247 1301 CONECT 1240 1252 1266 CONECT 1241 1253 1267 CONECT 1242 1272 1280 CONECT 1243 1273 1281 CONECT 1244 1286 1294 CONECT 1245 1287 1295 CONECT 1246 1238 1248 1314 CONECT 1247 1239 1249 1315 CONECT 1248 1246 1250 1256 CONECT 1249 1247 1251 1257 CONECT 1250 1248 1252 1254 CONECT 1251 1249 1253 1255 CONECT 1252 1240 1250 1314 CONECT 1253 1241 1251 1315 CONECT 1254 1250 CONECT 1255 1251 CONECT 1256 1248 1258 CONECT 1257 1249 1259 CONECT 1258 1256 1260 CONECT 1259 1257 1261 CONECT 1260 1258 1262 1264 CONECT 1261 1259 1263 1265 CONECT 1262 1260 CONECT 1263 1261 CONECT 1264 1260 CONECT 1265 1261 CONECT 1266 1240 1268 1316 CONECT 1267 1241 1269 1317 CONECT 1268 1266 1270 1274 CONECT 1269 1267 1271 1275 CONECT 1270 1268 1272 1276 CONECT 1271 1269 1273 1277 CONECT 1272 1242 1270 1316 CONECT 1273 1243 1271 1317 CONECT 1274 1268 CONECT 1275 1269 CONECT 1276 1270 1278 CONECT 1277 1271 1279 CONECT 1278 1276 CONECT 1279 1277 CONECT 1280 1242 1282 1318 CONECT 1281 1243 1283 1319 CONECT 1282 1280 1284 1288 CONECT 1283 1281 1285 1289 CONECT 1284 1282 1286 1290 CONECT 1285 1283 1287 1291 CONECT 1286 1244 1284 1318 CONECT 1287 1245 1285 1319 CONECT 1288 1282 CONECT 1289 1283 CONECT 1290 1284 1292 CONECT 1291 1285 1293 CONECT 1292 1290 CONECT 1293 1291 CONECT 1294 1244 1296 1320 CONECT 1295 1245 1297 1321 CONECT 1296 1294 1298 1302 CONECT 1297 1295 1299 1303 CONECT 1298 1296 1300 1304 CONECT 1299 1297 1301 1305 CONECT 1300 1238 1298 1320 CONECT 1301 1239 1299 1321 CONECT 1302 1296 CONECT 1303 1297 CONECT 1304 1298 1306 CONECT 1305 1299 1307 CONECT 1306 1304 1308 CONECT 1307 1305 1309 CONECT 1308 1306 1310 1312 CONECT 1309 1307 1311 1313 CONECT 1310 1308 CONECT 1311 1309 CONECT 1312 1308 CONECT 1313 1309 CONECT 1314 1246 1252 1322 CONECT 1315 1247 1253 1323 CONECT 1316 1266 1272 1322 CONECT 1317 1267 1273 1323 CONECT 1318 1280 1286 1322 CONECT 1319 1281 1287 1323 CONECT 1320 1294 1300 1322 CONECT 1321 1295 1301 1323 CONECT 1322 515 793 1314 1316 CONECT 1322 1318 1320 CONECT 1323 516 794 1315 1317 CONECT 1323 1319 1321 CONECT 1324 1325 1326 1327 1328 CONECT 1325 1324 CONECT 1326 1324 CONECT 1327 1324 CONECT 1328 1324 CONECT 1329 1330 1331 1332 1333 CONECT 1330 1329 1334 CONECT 1331 1329 1335 CONECT 1332 1329 1336 CONECT 1333 1329 CONECT 1334 1330 CONECT 1335 1331 CONECT 1336 1332 CONECT 1337 1338 1339 CONECT 1338 1337 CONECT 1339 1337 1340 CONECT 1340 1339 1341 CONECT 1341 1340 1342 CONECT 1342 1341 1343 CONECT 1343 1342 CONECT 1344 1345 1346 CONECT 1345 1344 CONECT 1346 1344 1347 1348 CONECT 1347 1346 CONECT 1348 1346 1349 CONECT 1349 1348 CONECT 1350 1351 1352 CONECT 1351 1350 CONECT 1352 1350 1353 1354 CONECT 1353 1352 CONECT 1354 1352 1355 CONECT 1355 1354 CONECT 1356 1357 1358 CONECT 1357 1356 CONECT 1358 1356 1359 CONECT 1359 1358 1360 CONECT 1360 1359 1361 CONECT 1361 1360 1362 CONECT 1362 1361 CONECT 1363 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 CONECT 1366 1365 1367 CONECT 1367 1366 1368 CONECT 1368 1367 1369 CONECT 1369 1368 END